data_6w4e_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6w4e _Structure_validation_residue.Date_analyzed 2020-04-10 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? . . . . . 0 CA--C 1.524 -0.027 0 CA-C-O 120.786 0.327 . . . . 10.0 111.142 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 97.3 mt -66.92 -36.87 83.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.282 -0.417 . . . . 10.0 111.243 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 95.6 mt -69.62 -45.33 68.77 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.336 -0.393 . . . . 10.0 111.154 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -66.8 -44.0 82.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.395 -0.366 . . . . 10.0 111.277 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.49 -34.51 78.37 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.998 0.428 . . . . 10.0 110.498 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 68.9 t90 -71.13 -32.88 69.54 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.807 -0.633 . . . . 10.0 109.93 178.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -59.28 -44.41 92.48 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.418 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 17.1 m -65.11 -34.72 79.07 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.061 -0.518 . . . . 10.0 111.043 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 61.6 t -70.88 -38.57 73.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 109.643 -0.503 . . . . 10.0 109.643 179.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 27.9 m -61.06 -43.7 98.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.748 -0.66 . . . . 10.0 111.203 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.8 -29.01 68.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.37 0.605 . . . . 10.0 110.104 179.163 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 51.1 m -67.14 -41.04 86.74 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.87 -0.789 . . . . 10.0 108.87 178.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -62.95 -38.59 91.67 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.697 -0.683 . . . . 10.0 110.591 178.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 1.4 m -60.55 -51.42 69.5 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.123 -0.49 . . . . 10.0 109.95 179.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 39.0 mmtt -62.57 -38.94 92.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.468 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 57.1 mt -62.07 -45.92 91.39 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.11 -0.496 . . . . 10.0 110.235 179.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 61.0 mtt180 -67.85 -36.82 81.0 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.31 -0.404 . . . . 10.0 110.611 179.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -66.18 -30.85 71.4 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.145 179.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -87.35 -26.08 23.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.15 179.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 13.0 mt -60.51 -38.94 85.99 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.951 179.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -51.79 -62.7 5.36 Favored Glycine 0 CA--C 1.52 0.345 0 O-C-N 123.697 0.623 . . . . 10.0 111.831 179.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -56.3 -36.77 97.36 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 122.354 2.036 . . . . 10.0 110.797 177.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 14.9 t -58.73 -53.09 52.08 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.17 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.93 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.29 -37.34 85.13 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.777 0.322 . . . . 10.0 110.591 179.394 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -62.49 -54.68 36.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.581 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 227' ' ' GLU . . . . . 0.402 ' CD ' ' HZ2' ' D' ' 550' ' ' LYS . 19.8 mt-10 -62.79 -48.39 79.34 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.633 -0.712 . . . . 10.0 111.474 -179.574 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -58.7 -47.74 83.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.336 -0.393 . . . . 10.0 111.953 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -68.07 -35.94 79.02 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.781 -0.19 . . . . 10.0 111.273 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -59.75 -45.89 90.82 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.301 -0.629 . . . . 10.0 109.301 178.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -73.34 -36.54 66.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.787 -0.642 . . . . 10.0 110.362 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 17.2 mt -61.55 -39.2 90.25 Favored 'General case' 0 CA--C 1.515 -0.379 0 N-CA-C 109.719 -0.474 . . . . 10.0 109.719 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -64.49 -31.17 72.26 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-N 115.542 -0.754 . . . . 10.0 110.122 178.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 71.1 mttt -73.94 -36.63 64.67 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.074 -0.713 . . . . 10.0 109.074 178.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.11 -48.82 74.64 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 108.665 -0.865 . . . . 10.0 108.665 178.04 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -67.95 -35.48 78.47 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.545 -0.752 . . . . 10.0 109.928 179.246 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -58.72 -44.37 90.41 Favored 'General case' 0 CA--C 1.521 -0.16 0 N-CA-C 108.916 -0.772 . . . . 10.0 108.916 177.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -62.28 -44.6 97.45 Favored Glycine 0 N--CA 1.443 -0.89 0 N-CA-C 110.363 -1.095 . . . . 10.0 110.363 178.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 93.5 mt -66.1 -30.28 70.76 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.824 0.345 . . . . 10.0 110.552 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -69.04 -40.06 78.82 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.378 -0.601 . . . . 10.0 109.378 178.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -73.52 -38.48 65.3 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.492 -0.929 . . . . 10.0 108.492 178.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -66.44 -28.63 68.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.169 -0.923 . . . . 10.0 110.561 178.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 45.5 ttm -57.02 -32.66 66.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.487 -0.324 . . . . 10.0 110.617 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 3.5 m -70.01 1.21 4.81 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.805 179.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 35.0 mttm -131.62 -59.61 0.95 Allowed 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.142 -0.481 . . . . 10.0 109.941 178.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 246' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -55.1 -37.3 66.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.675 -0.693 . . . . 10.0 112.741 -178.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . 40.0 mt -109.02 -26.09 10.36 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.194 0.442 . . . . 10.0 112.194 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -82.32 -49.21 10.29 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.068 0.395 . . . . 10.0 112.068 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -66.9 -33.44 75.6 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.999 0.428 . . . . 10.0 109.878 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 250' ' ' VAL . . . . . . . . . . . . . 2.5 p -66.47 -34.89 73.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.749 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 68.1 mttt -79.78 -19.81 47.73 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.32 0.581 . . . . 10.0 110.781 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -84.94 -43.73 13.77 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.084 -0.71 . . . . 10.0 109.084 178.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 46.3 mttt -76.16 -24.88 54.84 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.529 -0.76 . . . . 10.0 111.071 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 254' ' ' VAL . . . . . . . . . . . . . 1.2 p -61.42 -24.53 33.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.611 0.243 . . . . 10.0 111.177 179.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -60.06 -65.07 2.32 Favored Pre-proline 0 CA--C 1.535 0.402 0 CA-C-N 116.362 -0.381 . . . . 10.0 110.413 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -66.6 -30.15 43.02 Favored 'Trans proline' 0 C--N 1.355 0.916 0 C-N-CA 121.453 1.436 . . . . 10.0 111.55 178.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 5.4 m-30 -62.93 -52.88 61.32 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.897 0.379 . . . . 10.0 110.245 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 21.1 mt -71.65 -39.21 70.5 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 116.15 -0.477 . . . . 10.0 111.25 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -61.09 -37.93 84.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.755 0.312 . . . . 10.0 110.798 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -67.69 -52.05 42.36 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 116.208 -0.451 . . . . 10.0 109.935 178.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -61.94 -42.23 98.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.813 -0.63 . . . . 10.0 111.341 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -65.36 -39.2 92.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.398 -0.364 . . . . 10.0 110.773 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -64.29 -52.09 60.3 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.501 -0.555 . . . . 10.0 109.501 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 264' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -63.67 -35.06 79.3 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.676 -0.693 . . . . 10.0 110.51 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -65.27 -37.16 86.33 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 115.927 -0.579 . . . . 10.0 110.306 179.2 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -62.76 -44.95 94.85 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.87 -0.789 . . . . 10.0 108.87 178.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -64.76 -42.21 95.31 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 108.592 -0.892 . . . . 10.0 108.592 178.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -54.23 -45.09 72.22 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.712 -0.676 . . . . 10.0 110.724 179.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 90.2 mmm -74.45 -41.66 60.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.824 -0.626 . . . . 10.0 111.067 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -60.49 -39.47 87.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.951 0.405 . . . . 10.0 109.988 179.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 71.1 mt -65.96 -42.82 89.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.739 -0.664 . . . . 10.0 109.306 178.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 1.4 m-30 -64.95 -32.19 73.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 10.0 110.674 178.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 88.2 mtt180 -74.39 -35.2 63.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.562 0.696 . . . . 10.0 109.602 178.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.59 -22.18 63.53 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.147 -0.933 . . . . 10.0 110.099 179.181 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 275' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -99.11 -34.66 10.3 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.912 -0.585 . . . . 10.0 111.034 179.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 3.0 p -55.74 -37.66 47.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 112.697 0.628 . . . . 10.0 112.697 -178.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -66.1 -60.74 6.48 Favored Pre-proline 0 CA--C 1.535 0.395 0 N-CA-C 112.096 0.406 . . . . 10.0 112.096 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -59.98 -39.5 70.29 Favored 'Trans proline' 0 C--N 1.355 0.899 0 C-N-CA 121.988 1.792 . . . . 10.0 111.656 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 24.3 mt -66.3 -40.34 89.93 Favored 'General case' 0 CA--C 1.521 -0.172 0 CA-C-N 116.746 -0.206 . . . . 10.0 110.677 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -65.13 -39.03 92.48 Favored 'General case' 0 CA--C 1.518 -0.254 0 N-CA-C 109.517 -0.549 . . . . 10.0 109.517 178.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -64.22 -43.66 94.3 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.517 -0.549 . . . . 10.0 109.517 178.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -61.62 -44.31 97.23 Favored 'General case' 0 C--O 1.231 0.108 0 N-CA-C 109.385 -0.598 . . . . 10.0 109.385 178.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 75.4 mt -63.26 -45.04 93.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.454 -0.793 . . . . 10.0 110.367 179.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -61.54 -55.16 34.03 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.12 -0.491 . . . . 10.0 111.11 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -61.91 -39.72 92.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.39 -0.368 . . . . 10.0 110.818 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -65.29 -47.37 80.8 Favored Glycine 0 N--CA 1.448 -0.545 0 N-CA-C 111.263 -0.735 . . . . 10.0 111.263 178.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -62.2 -36.01 80.62 Favored 'General case' 0 CA--C 1.519 -0.231 0 N-CA-C 110.067 -0.346 . . . . 10.0 110.067 179.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -56.53 -52.27 65.41 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.084 -0.507 . . . . 10.0 109.752 178.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -67.7 -46.71 71.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.829 -0.623 . . . . 10.0 111.159 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 69.7 mttt -59.99 -43.26 95.27 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.114 0.413 . . . . 10.0 112.114 -179.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 50.0 mt -75.66 -38.41 58.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.649 -0.251 . . . . 10.0 111.38 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 33.0 t-80 -61.46 -42.13 98.29 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.847 -0.427 . . . . 10.0 109.847 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -61.95 -40.3 95.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.718 -0.674 . . . . 10.0 109.298 178.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 48.7 mt -63.87 -36.69 84.74 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.753 -0.658 . . . . 10.0 110.304 179.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -64.25 -40.2 95.52 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.113 0.482 . . . . 10.0 110.256 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -66.33 -13.79 61.07 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.789 -0.641 . . . . 10.0 110.36 179.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 25.5 mmtp -118.32 13.36 13.63 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.521 0.677 . . . . 10.0 109.833 178.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -115.47 -40.67 3.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.547 -0.751 . . . . 10.0 110.549 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 299' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.95 -62.34 1.32 Allowed Pre-proline 0 C--N 1.322 -0.587 0 N-CA-C 112.112 0.412 . . . . 10.0 112.112 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 300' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -66.15 -46.93 3.87 Favored 'Trans proline' 0 C--N 1.356 0.969 0 C-N-CA 121.609 1.539 . . . . 10.0 112.119 -179.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 67.3 mt -69.0 -23.1 64.06 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.049 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -75.65 -46.14 15.49 Favored Glycine 0 C--O 1.225 -0.428 0 N-CA-C 109.668 -1.373 . . . . 10.0 109.668 178.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -62.59 -39.32 93.35 Favored 'General case' 0 CA--C 1.517 -0.312 0 N-CA-C 109.336 -0.616 . . . . 10.0 109.336 177.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -63.58 -44.21 94.73 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.434 -0.803 . . . . 10.0 109.445 178.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 6.5 tpt -63.82 -39.98 95.53 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.572 -0.529 . . . . 10.0 109.572 178.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 59.1 mtt180 -66.0 -38.04 87.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.002 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.07 -43.26 87.9 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.84 -0.618 . . . . 10.0 109.659 179.199 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 20.0 mmt180 -68.98 -31.18 69.85 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.928 -0.578 . . . . 10.0 109.807 178.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -66.88 -32.81 74.31 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.791 -0.641 . . . . 10.0 109.378 178.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 310' ' ' ARG . . . . . . . . . . . . . 74.5 mtt180 -59.09 -48.06 82.99 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 109.012 -0.736 . . . . 10.0 109.012 178.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -70.49 -35.27 73.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.826 -0.625 . . . . 10.0 109.77 178.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -53.57 -49.68 67.2 Favored 'General case' 0 N--CA 1.462 0.139 0 N-CA-C 109.26 -0.645 . . . . 10.0 109.26 178.467 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 24.1 t -79.35 -38.44 19.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.408 -0.815 . . . . 10.0 111.115 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -59.56 -45.93 90.37 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 120.814 0.34 . . . . 10.0 111.705 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -64.46 -39.23 93.41 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.24 -0.652 . . . . 10.0 109.24 178.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 19.8 mt -64.69 -46.46 82.32 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-N 115.767 -0.651 . . . . 10.0 109.873 179.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 12.0 mtm105 -62.04 -43.13 99.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.1 0.476 . . . . 10.0 110.445 179.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 93.5 m -62.9 -28.6 70.16 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.556 -0.747 . . . . 10.0 110.445 179.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -88.28 -36.38 16.73 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.861 -0.608 . . . . 10.0 110.792 179.267 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 78.1 mt -72.67 -26.65 61.7 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.907 0.336 . . . . 10.0 111.907 -179.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -55.57 -58.9 13.05 Favored Pre-proline 0 CA--C 1.534 0.363 0 C-N-CA 121.236 -0.186 . . . . 10.0 111.464 178.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -70.1 -28.63 23.39 Favored 'Trans proline' 0 C--N 1.357 0.999 0 C-N-CA 121.577 1.518 . . . . 10.0 111.14 178.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 8.9 m-30 -64.97 -51.94 59.0 Favored 'General case' 0 C--O 1.227 -0.125 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.816 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 22.6 p -63.85 -36.54 84.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.536 -0.302 . . . . 10.0 110.552 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -59.45 -52.7 64.48 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.514 -0.55 . . . . 10.0 109.514 178.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -70.38 -24.56 62.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.612 -0.722 . . . . 10.0 111.024 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 13.3 mt -66.65 -39.08 88.08 Favored 'General case' 0 N--CA 1.462 0.125 0 N-CA-C 108.906 -0.775 . . . . 10.0 108.906 178.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 53.8 mtt180 -67.88 -35.85 79.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.67 -0.695 . . . . 10.0 109.156 178.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -68.92 -41.8 77.66 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.361 -0.836 . . . . 10.0 109.002 178.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 330' ' ' ARG . . . . . 0.515 HH21 ' CB ' ' D' ' 447' ' ' GLU . 27.1 mtt180 -61.79 -46.48 89.37 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 115.677 -0.692 . . . . 10.0 109.264 177.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 7.2 mt -58.9 -46.12 88.62 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 115.352 -0.84 . . . . 10.0 110.01 179.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -60.18 -46.35 90.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.427 -0.351 . . . . 10.0 110.391 179.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -61.25 -45.61 93.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.883 -0.599 . . . . 10.0 110.837 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 33.3 mtt-85 -67.41 -45.72 75.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.027 -0.533 . . . . 10.0 111.063 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 46.1 mt -60.62 -42.29 96.56 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 116.58 -0.282 . . . . 10.0 110.523 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -62.39 -45.67 92.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.156 179.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -63.44 -48.66 76.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.091 -0.504 . . . . 10.0 109.738 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 80.8 mt -64.27 -22.39 66.93 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.744 -0.662 . . . . 10.0 111.045 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -82.76 -43.93 16.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.637 -0.256 . . . . 10.0 110.341 178.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 73.9 mt-10 -62.79 -56.6 15.98 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.5 -0.926 . . . . 10.0 108.5 177.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -62.92 -39.58 94.98 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 114.756 -1.111 . . . . 10.0 109.686 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -60.45 -44.03 98.11 Favored Glycine 0 N--CA 1.449 -0.499 0 CA-C-N 115.631 -0.713 . . . . 10.0 111.954 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -61.15 -41.6 99.52 Favored Glycine 0 N--CA 1.449 -0.461 0 N-CA-C 110.969 -0.852 . . . . 10.0 110.969 178.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -65.01 -44.91 87.64 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.712 -0.477 . . . . 10.0 109.712 178.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 30.9 mtm180 -59.79 -43.21 94.54 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.422 179.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 48.0 mt -63.31 -47.3 82.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.906 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.63 -44.87 95.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.957 0.408 . . . . 10.0 110.435 179.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -66.42 -43.15 86.51 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.71 -0.677 . . . . 10.0 110.557 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -66.8 -34.84 78.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.582 -0.281 . . . . 10.0 110.729 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 3.8 m170 -64.5 -45.44 87.29 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.921 -0.77 . . . . 10.0 108.921 178.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -63.61 -41.84 98.27 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.272 -0.64 . . . . 10.0 109.272 178.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 10.8 ttmm -59.23 -48.41 81.73 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.53 -0.759 . . . . 10.0 110.067 178.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -62.76 -36.98 84.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.339 179.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 33.4 m -63.1 -46.17 88.62 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.244 -0.435 . . . . 10.0 109.857 179.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -67.15 -41.82 85.41 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.13 -0.486 . . . . 10.0 109.852 178.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -59.38 -38.55 80.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.9 -0.591 . . . . 10.0 110.557 178.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 30.8 mt -63.64 -37.57 87.82 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.437 -0.347 . . . . 10.0 111.183 179.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 19.7 m -62.98 -46.27 88.47 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.731 -0.47 . . . . 10.0 109.731 179.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -73.78 -29.41 62.18 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.849 179.037 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 20.3 tp -66.27 -34.63 78.43 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.952 -0.759 . . . . 10.0 108.952 178.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 50.9 m -63.08 -26.56 68.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.438 -0.801 . . . . 10.0 110.283 178.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -66.33 -28.15 68.45 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.311 -0.625 . . . . 10.0 109.311 178.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 363' ' ' LYS . . . . . . . . . . . . . 37.4 mtmt -91.84 -21.91 20.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.527 -0.76 . . . . 10.0 110.145 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -87.76 -30.54 20.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.048 -0.524 . . . . 10.0 112.41 -178.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 64.8 mttt -109.87 -72.62 0.02 OUTLIER Pre-proline 0 C--N 1.327 -0.407 0 N-CA-C 113.319 0.859 . . . . 10.0 113.319 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -58.79 -56.65 1.33 Allowed 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 122.145 1.897 . . . . 10.0 113.052 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 367' ' ' ALA . . . . . . . . . . . . . . . -60.99 -45.78 93.42 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 111.618 0.229 . . . . 10.0 111.618 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 5.5 mt -63.48 -40.88 98.26 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 121.014 -0.274 . . . . 10.0 110.871 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -62.15 -44.26 97.01 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.785 -0.82 . . . . 10.0 108.785 178.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -60.72 -44.27 96.82 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.258 -0.883 . . . . 10.0 110.29 179.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 94.7 mt -63.89 -44.4 93.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.753 -0.658 . . . . 10.0 110.559 179.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 60.8 mtt180 -60.13 -45.35 93.33 Favored 'General case' 0 CA--C 1.519 -0.227 0 N-CA-C 109.672 -0.492 . . . . 10.0 109.672 179.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -61.74 -36.72 81.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.795 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -76.71 -28.11 59.77 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.931 -0.652 . . . . 10.0 112.285 179.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 51.6 mt -79.6 -23.62 42.56 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 111.801 0.297 . . . . 10.0 111.801 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 75.7 mt -56.04 -57.77 20.21 Favored Pre-proline 0 CA--C 1.535 0.393 0 N-CA-C 111.973 0.36 . . . . 10.0 111.973 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -66.48 -27.18 46.83 Favored 'Trans proline' 0 C--N 1.357 0.994 0 C-N-CA 121.825 1.683 . . . . 10.0 110.53 178.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 20.3 t -63.95 -46.72 93.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 109.094 -0.706 . . . . 10.0 109.094 178.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 68.9 mt -64.94 -37.11 86.57 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 109.289 -0.634 . . . . 10.0 109.289 178.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -58.55 -50.16 74.79 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.693 -0.685 . . . . 10.0 110.615 179.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 2.1 p -69.41 -41.18 76.73 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.094 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -60.26 -37.35 80.16 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 116.303 -0.408 . . . . 10.0 110.669 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 78.3 mttt -59.87 -44.55 94.11 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 109.663 -0.495 . . . . 10.0 109.663 178.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 41.4 t -64.3 -43.44 97.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.002 179.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 37.2 m -63.15 -42.59 99.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.866 -0.606 . . . . 10.0 111.373 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -66.94 -42.82 84.66 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.519 -0.31 . . . . 10.0 110.492 179.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 76.6 mt -62.89 -48.02 80.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.981 -0.554 . . . . 10.0 111.253 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 8.8 p -65.22 -36.3 83.71 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.485 -0.325 . . . . 10.0 110.786 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -64.6 -42.35 95.63 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 116.299 -0.41 . . . . 10.0 110.216 179.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 45.9 mt -60.3 -41.93 94.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.656 -0.702 . . . . 10.0 109.766 179.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -69.27 -43.18 74.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.857 -0.61 . . . . 10.0 110.152 178.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -56.69 -47.05 80.76 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.359 -0.382 . . . . 10.0 111.163 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -64.1 -43.17 96.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.739 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 22.9 m -66.71 -41.53 87.82 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.384 -0.371 . . . . 10.0 111.643 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -63.62 -36.24 83.18 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 113.377 0.881 . . . . 10.0 113.377 -178.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -99.66 -29.51 12.62 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 114.351 1.241 . . . . 10.0 114.351 -177.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 84.2 mt -89.39 -17.19 29.29 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.683 0.623 . . . . 10.0 112.683 -178.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 50.1 t30 . . . . . 0 C--N 1.324 -0.542 0 C-N-CA 120.989 -0.284 . . . . 10.0 111.129 -179.503 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 3.2 mm? . . . . . 0 C--O 1.234 0.288 0 CA-C-O 121.137 0.494 . . . . 10.0 110.453 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 4.1 mppt? -106.51 31.55 5.13 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.664 -0.698 . . . . 10.0 109.879 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 72.1 mt -59.4 -44.29 92.83 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.837 -0.62 . . . . 10.0 111.201 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 97.4 mt -60.66 -35.68 76.84 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.551 -0.295 . . . . 10.0 111.184 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -73.86 -37.79 64.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.232 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -72.12 -41.09 67.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.156 -0.474 . . . . 10.0 110.804 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 15.7 m95 -66.14 -26.66 67.54 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.57 179.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -64.25 -46.15 85.02 Favored 'General case' 0 CA--C 1.515 -0.379 0 N-CA-C 109.863 -0.421 . . . . 10.0 109.863 179.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.94 -42.01 79.27 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.2 -0.455 . . . . 10.0 109.816 178.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 18.3 t -67.4 -37.16 78.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.261 0.553 . . . . 10.0 110.759 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 33.5 m -67.51 -34.77 77.8 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.307 0.575 . . . . 10.0 109.533 178.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 13.0 m -67.81 -46.65 71.3 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.626 -0.715 . . . . 10.0 109.961 178.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 3.0 p -64.3 -37.32 87.09 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-O 120.802 0.334 . . . . 10.0 110.468 178.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 3.0 m-30 -62.52 -40.98 98.5 Favored 'General case' 0 C--O 1.231 0.12 0 N-CA-C 108.97 -0.752 . . . . 10.0 108.97 177.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 63.9 m -66.67 -35.89 81.22 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.865 -0.607 . . . . 10.0 109.389 178.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 36.6 mmtt -63.12 -35.67 81.03 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.736 -0.666 . . . . 10.0 109.801 177.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 96.0 mt -67.16 -38.08 84.86 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.096 -0.705 . . . . 10.0 109.096 178.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -66.05 -37.55 86.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.63 -0.714 . . . . 10.0 109.719 178.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 69.0 mt-10 -61.19 -32.78 72.53 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.045 178.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -82.21 -45.9 14.45 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.56 -0.746 . . . . 10.0 110.038 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 41.2 mt -47.46 -42.09 21.88 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 115.789 -0.641 . . . . 10.0 112.656 -179.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -52.0 -73.71 0.36 Allowed Glycine 0 CA--C 1.522 0.524 0 C-N-CA 121.268 -0.491 . . . . 10.0 112.235 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -60.77 -35.4 89.1 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.428 2.086 . . . . 10.0 112.148 178.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 3.1 t -58.91 -45.75 91.67 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 O-C-N 123.178 0.299 . . . . 10.0 111.424 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 18.3 p -69.9 -33.11 71.76 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.975 0.417 . . . . 10.0 110.317 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -63.99 -50.12 69.78 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.766 -0.652 . . . . 10.0 109.995 178.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -71.54 -30.58 66.06 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.246 -0.434 . . . . 10.0 110.453 178.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -62.64 -44.59 95.89 Favored 'General case' 0 C--O 1.224 -0.279 0 N-CA-C 109.042 -0.725 . . . . 10.0 109.042 178.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 1.6 m0 -64.96 -38.28 90.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.634 -0.712 . . . . 10.0 110.311 178.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -65.83 -41.32 91.92 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.136 -0.691 . . . . 10.0 109.136 179.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 16.1 t30 -66.67 -42.82 85.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.364 -0.835 . . . . 10.0 109.868 178.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 70.6 mt -58.61 -43.41 89.6 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.16 179.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -65.44 -36.57 84.32 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.36 178.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 41.6 mttp -64.76 -48.25 75.22 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.37 -0.604 . . . . 10.0 109.37 178.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -64.54 -47.69 77.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.831 -0.622 . . . . 10.0 111.573 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 19.8 p -61.89 -38.8 89.69 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.767 0.284 . . . . 10.0 111.767 -179.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -72.77 -37.77 67.54 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.925 -0.398 . . . . 10.0 109.925 178.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -63.31 -49.75 68.17 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 110.318 -1.113 . . . . 10.0 110.318 178.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 39.2 mt -67.58 -26.09 66.1 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 109.917 -0.401 . . . . 10.0 109.917 178.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 25.0 ttm180 -63.25 -48.46 78.14 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.797 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -64.86 -33.3 75.68 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 121.075 0.464 . . . . 10.0 110.011 179.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -72.28 -38.26 68.85 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 109.17 -0.678 . . . . 10.0 109.17 179.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 58.9 mmm -66.87 -42.02 86.32 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 115.543 -0.753 . . . . 10.0 112.163 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.84 -48.17 80.2 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.832 -0.433 . . . . 10.0 109.832 179.263 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -63.42 -39.86 95.62 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.792 -0.64 . . . . 10.0 109.854 179.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -65.19 -54.79 24.26 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 115.837 -0.62 . . . . 10.0 110.828 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 73.3 mt -59.51 -46.56 88.48 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.164 0.431 . . . . 10.0 112.164 -179.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -60.49 -48.06 83.42 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.42 -0.354 . . . . 10.0 110.947 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 447' ' ' GLU . . . . . 0.515 ' CB ' HH21 ' A' ' 330' ' ' ARG . 63.8 mt-10 -67.65 -32.45 73.15 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.815 179.294 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 2.1 t -58.44 -38.87 72.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.777 0.323 . . . . 10.0 110.266 179.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 85.1 mttt -65.26 -31.1 72.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.026 0.441 . . . . 10.0 109.971 179.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -97.05 10.56 38.94 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.89 -0.595 . . . . 10.0 111.397 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 59.2 mttm -124.86 -45.67 1.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.328 -0.397 . . . . 10.0 111.274 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 73.7 t -70.42 -42.97 78.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.463 -0.335 . . . . 10.0 110.99 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -57.31 -57.17 26.83 Favored Pre-proline 0 CA--C 1.536 0.431 0 N-CA-C 112.01 0.374 . . . . 10.0 112.01 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -63.43 -27.48 70.76 Favored 'Trans proline' 0 C--N 1.356 0.954 0 C-N-CA 122.107 1.872 . . . . 10.0 111.482 178.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -71.76 -39.77 69.76 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.196 -0.668 . . . . 10.0 109.196 178.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 21.8 mt -66.59 -38.63 87.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.676 -0.693 . . . . 10.0 109.154 178.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -65.26 -45.73 83.38 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.75 -0.659 . . . . 10.0 109.344 178.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -60.29 -44.45 95.38 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.373 -0.83 . . . . 10.0 109.533 178.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -66.77 -43.46 83.97 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.438 -0.801 . . . . 10.0 110.536 179.322 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -58.18 -41.31 83.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.739 0.304 . . . . 10.0 110.624 179.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 67.5 mttt -64.28 -42.72 96.29 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.772 -0.455 . . . . 10.0 109.772 178.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.42 -39.09 85.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.3 178.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 38.9 m0 -65.42 -40.71 93.67 Favored 'General case' 0 CA--C 1.517 -0.323 0 N-CA-C 109.428 -0.582 . . . . 10.0 109.428 178.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -60.03 -50.38 73.96 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 109.18 -0.674 . . . . 10.0 109.18 178.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 465' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -61.89 -45.47 93.61 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 116.154 -0.476 . . . . 10.0 109.917 179.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 22.7 tp10 -56.33 -51.23 69.02 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.661 -0.7 . . . . 10.0 110.321 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 73.7 mtm -65.75 -41.46 92.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.881 -0.6 . . . . 10.0 111.118 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -59.6 -48.16 82.76 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.187 -0.671 . . . . 10.0 109.187 178.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 469' ' ' LEU . . . . . . . . . . . . . 91.3 mt -61.56 -31.18 71.21 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.559 -0.746 . . . . 10.0 110.551 179.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 16.5 m-30 -71.35 -36.06 71.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.157 0.504 . . . . 10.0 110.048 178.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 74.6 mtt85 -76.4 -17.57 59.29 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.416 0.627 . . . . 10.0 109.637 178.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -101.04 1.49 39.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.434 -0.803 . . . . 10.0 110.647 178.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 473' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.26 -71.06 0.5 Allowed 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.043 179.59 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 51.1 t -54.66 -44.53 70.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.054 -0.521 . . . . 10.0 111.675 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -62.4 -59.0 14.11 Favored Pre-proline 0 CA--C 1.535 0.4 0 N-CA-C 113.036 0.754 . . . . 10.0 113.036 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -63.59 -36.08 55.44 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 121.539 1.493 . . . . 10.0 111.397 178.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 11.3 mt -67.24 -24.22 65.79 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 116.544 -0.298 . . . . 10.0 110.374 179.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 22.8 mtt180 -63.07 -34.37 77.44 Favored 'General case' 0 C--O 1.224 -0.289 0 N-CA-C 108.583 -0.895 . . . . 10.0 108.583 178.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -74.91 -43.6 53.38 Favored 'General case' 0 N--CA 1.456 -0.175 0 N-CA-C 109.361 -0.607 . . . . 10.0 109.361 179.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.25 -41.9 98.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.329 0.585 . . . . 10.0 110.255 178.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 80.9 mt -71.96 -37.31 69.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.781 -0.645 . . . . 10.0 109.878 179.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -66.02 -41.27 91.18 Favored 'General case' 0 C--O 1.225 -0.218 0 N-CA-C 109.562 -0.532 . . . . 10.0 109.562 179.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -65.39 -41.84 93.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.251 0.548 . . . . 10.0 109.574 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -65.25 -36.61 93.01 Favored Glycine 0 N--CA 1.444 -0.816 0 N-CA-C 109.958 -1.257 . . . . 10.0 109.958 178.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -69.04 -40.06 78.82 Favored 'General case' 0 C--O 1.224 -0.276 0 N-CA-C 109.873 -0.417 . . . . 10.0 109.873 178.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 59.1 mtt180 -62.71 -45.8 91.07 Favored 'General case' 0 CA--C 1.516 -0.354 0 N-CA-C 109.553 -0.536 . . . . 10.0 109.553 179.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -63.16 -41.07 99.2 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 115.952 -0.567 . . . . 10.0 109.594 178.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -63.01 -43.06 99.8 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 115.389 -0.823 . . . . 10.0 109.573 178.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 71.0 mt -64.07 -42.67 96.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.914 -0.585 . . . . 10.0 110.049 178.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -62.49 -45.01 94.97 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.257 -0.646 . . . . 10.0 109.257 178.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -59.57 -41.0 89.2 Favored 'General case' 0 CA--C 1.518 -0.254 0 N-CA-C 109.155 -0.683 . . . . 10.0 109.155 178.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 93.0 mt -66.31 -38.48 87.83 Favored 'General case' 0 C--O 1.221 -0.402 0 CA-C-N 115.542 -0.754 . . . . 10.0 110.185 178.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -61.64 -42.9 99.55 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.338 0.59 . . . . 10.0 110.112 179.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -72.17 0.89 8.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.539 -0.755 . . . . 10.0 111.334 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 495' ' ' LYS . . . . . . . . . . . . . 43.2 mttp -116.84 -45.94 2.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.156 -0.474 . . . . 10.0 110.09 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 95.6 mt -67.46 -13.71 62.27 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.073 -0.512 . . . . 10.0 112.328 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 497' ' ' SER . . . . . . . . . . . . . 14.3 m -87.5 -61.98 0.23 Allowed Pre-proline 0 C--N 1.326 -0.442 0 C-N-CA 120.806 -0.358 . . . . 10.0 111.015 179.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 498' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_endo -63.71 -48.82 4.94 Favored 'Trans proline' 0 C--N 1.356 0.923 0 C-N-CA 121.73 1.62 . . . . 10.0 110.66 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 499' ' ' LEU . . . . . . . . . . . . . 98.3 mt -70.1 -27.84 64.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.423 -0.353 . . . . 10.0 110.209 179.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -67.23 -48.88 56.46 Favored Glycine 0 N--CA 1.45 -0.369 0 N-CA-C 110.607 -0.997 . . . . 10.0 110.607 179.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -69.58 -35.09 75.04 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.545 -0.539 . . . . 10.0 109.545 178.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 502' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -65.62 -45.76 81.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.013 -0.54 . . . . 10.0 109.978 179.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 14.1 tmm? -63.31 -38.69 92.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.958 -0.564 . . . . 10.0 109.528 179.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 64.5 mtt180 -64.64 -39.28 93.41 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.06 -0.718 . . . . 10.0 109.06 178.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -68.91 -34.96 76.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.013 -0.539 . . . . 10.0 109.557 178.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 506' ' ' ARG . . . . . . . . . . . . . 49.5 mtt180 -63.09 -47.08 84.41 Favored 'General case' 0 CA--C 1.52 -0.174 0 N-CA-C 107.28 -1.378 . . . . 10.0 107.28 176.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -59.21 -40.41 85.73 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 115.369 -0.832 . . . . 10.0 109.358 178.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 508' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -57.66 -52.94 63.39 Favored 'General case' 0 C--O 1.22 -0.464 0 N-CA-C 108.852 -0.796 . . . . 10.0 108.852 177.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -61.14 -30.78 70.59 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.82 -0.627 . . . . 10.0 111.619 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -73.35 -56.75 4.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.457 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 51.8 t -62.83 -39.83 86.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.734 -179.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -60.86 -41.49 96.01 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.089 -0.505 . . . . 10.0 109.74 179.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -64.49 -43.37 94.33 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 108.515 -0.92 . . . . 10.0 108.515 178.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 514' ' ' LEU . . . . . . . . . . . . . 91.6 mt -58.24 -32.56 68.45 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.968 -0.56 . . . . 10.0 111.239 179.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 515' ' ' ARG . . . . . . . . . . . . . 73.2 mtt180 -63.86 -25.56 68.22 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.993 0.425 . . . . 10.0 110.203 178.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.22 7.56 21.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.656 -0.702 . . . . 10.0 110.086 179.691 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 24.7 m170 -118.05 -67.05 1.02 Allowed 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.642 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 75.3 mt -67.9 -54.44 18.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.661 -0.7 . . . . 10.0 111.797 -179.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 519' ' ' ALA . . . . . . . . . . . . . . . -49.55 -58.81 8.03 Favored Pre-proline 0 CA--C 1.535 0.388 0 N-CA-C 112.977 0.732 . . . . 10.0 112.977 -179.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 520' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -61.46 -30.41 86.71 Favored 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 121.751 1.634 . . . . 10.0 111.492 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -71.45 -42.62 67.95 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 120.764 -0.375 . . . . 10.0 110.662 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 1.3 p -64.87 -26.96 68.55 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.47 -0.567 . . . . 10.0 109.47 178.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -71.12 -40.56 71.37 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 108.568 -0.901 . . . . 10.0 108.568 178.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -66.78 -40.4 88.17 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 108.291 -1.003 . . . . 10.0 108.291 177.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 67.1 mt -63.4 -30.94 71.99 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 114.94 -1.027 . . . . 10.0 110.669 179.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 526' ' ' ARG . . . . . . . . . . . . . 60.3 mtt180 -59.62 -40.88 89.04 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 109.675 -0.491 . . . . 10.0 109.675 178.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -68.82 -41.06 79.14 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.633 -0.712 . . . . 10.0 110.25 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 528' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -67.7 -41.29 83.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.534 -0.757 . . . . 10.0 110.27 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 79.0 mt -63.44 -38.7 92.15 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.006 -0.543 . . . . 10.0 109.609 178.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -63.58 -37.63 88.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 10.0 109.985 178.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -71.72 -43.58 65.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.813 -0.63 . . . . 10.0 110.248 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 13.8 ttm180 -64.21 -46.55 83.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.769 -0.65 . . . . 10.0 109.856 179.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 31.7 mt -63.17 -31.98 73.26 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.048 178.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -64.27 -41.98 96.67 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 109.231 -0.655 . . . . 10.0 109.231 178.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -66.73 -39.9 88.14 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 109.151 -0.685 . . . . 10.0 109.151 178.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 84.1 mt -65.81 -32.0 73.29 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.877 -0.602 . . . . 10.0 110.284 179.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -79.43 -40.89 28.87 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.399 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -65.88 -58.55 5.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.969 -0.56 . . . . 10.0 110.606 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 48.5 m-20 -68.1 -35.56 78.36 Favored 'General case' 0 CA--C 1.511 -0.524 0 N-CA-C 109.571 -0.529 . . . . 10.0 109.571 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -63.57 -45.63 94.21 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.764 -0.731 . . . . 10.0 111.516 179.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -62.07 -42.23 99.72 Favored Glycine 0 C--N 1.334 0.455 0 N-CA-C 110.768 -0.933 . . . . 10.0 110.768 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -64.43 -42.69 95.87 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 108.925 -0.769 . . . . 10.0 108.925 178.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 55.5 mtt85 -63.87 -35.65 81.34 Favored 'General case' 0 C--O 1.217 -0.648 0 CA-C-N 115.616 -0.72 . . . . 10.0 110.648 179.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 84.3 mt -61.99 -39.23 91.47 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.97 -0.752 . . . . 10.0 108.97 178.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -69.8 -38.57 76.68 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.531 -0.914 . . . . 10.0 108.531 178.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -64.41 -44.03 92.5 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.686 -0.688 . . . . 10.0 109.73 178.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -59.39 -48.27 82.26 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 115.728 -0.669 . . . . 10.0 109.254 178.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 6.7 m170 -62.38 -43.62 98.4 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.843 179.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -63.76 -52.71 59.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.511 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 550' ' ' LYS . . . . . 0.402 ' HZ2' ' CD ' ' A' ' 227' ' ' GLU . 0.0 OUTLIER -64.23 -30.19 71.25 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.729 0.3 . . . . 10.0 110.558 179.791 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -66.89 -45.41 78.1 Favored 'General case' 0 CA--C 1.513 -0.469 0 N-CA-C 109.733 -0.469 . . . . 10.0 109.733 178.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -69.56 -39.77 77.19 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 109.911 -0.403 . . . . 10.0 109.911 179.399 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -61.12 -52.4 65.04 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.988 -0.551 . . . . 10.0 109.61 178.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 7.8 t-160 -62.75 -37.4 86.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.566 -0.743 . . . . 10.0 110.181 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 44.0 tp -57.48 -45.28 85.0 Favored 'General case' 0 C--O 1.237 0.418 0 N-CA-C 109.853 -0.425 . . . . 10.0 109.853 178.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 10.9 m -62.78 -38.62 91.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.828 -0.623 . . . . 10.0 109.868 178.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 3.0 m -70.89 -37.4 73.01 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.767 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 92.3 mt -64.53 -50.93 65.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.764 -0.653 . . . . 10.0 110.534 179.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 2.2 p -65.04 -32.45 74.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.912 0.387 . . . . 10.0 110.116 179.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -63.52 -21.79 66.53 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.525 -0.762 . . . . 10.0 109.673 178.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.98 -45.24 5.48 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.757 -0.656 . . . . 10.0 109.767 179.274 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -56.19 -43.53 78.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.185 -0.461 . . . . 10.0 112.185 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 85.1 mttt -56.18 -64.28 2.5 Favored Pre-proline 0 CA--C 1.533 0.307 0 N-CA-C 112.237 0.458 . . . . 10.0 112.237 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -68.18 -37.09 15.06 Favored 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 122.36 2.04 . . . . 10.0 113.197 -179.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -60.21 -49.61 76.94 Favored 'General case' 0 C--O 1.222 -0.387 0 C-N-CA 121.243 -0.183 . . . . 10.0 110.967 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 19.2 mt -63.52 -38.07 89.74 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.882 -0.327 . . . . 10.0 110.916 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -62.91 -52.65 62.26 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 108.956 -0.757 . . . . 10.0 108.956 178.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.89 -44.65 94.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.597 -0.729 . . . . 10.0 110.814 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 35.2 mt -59.3 -47.05 86.84 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.134 -0.484 . . . . 10.0 110.539 179.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 74.0 mtt180 -65.63 -40.58 92.7 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.89 0.376 . . . . 10.0 110.54 179.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -66.4 -17.94 65.07 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.864 -0.607 . . . . 10.0 111.218 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -102.6 -35.81 3.7 Favored Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.757 -0.735 . . . . 10.0 111.774 179.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 84.2 mt -71.43 -37.96 71.42 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 111.722 0.268 . . . . 10.0 111.722 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 20.5 mt -56.2 -59.43 11.9 Favored Pre-proline 0 CA--C 1.535 0.401 0 N-CA-C 112.038 0.385 . . . . 10.0 112.038 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.53 -34.79 32.22 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 121.94 1.76 . . . . 10.0 111.974 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -66.99 -35.28 74.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 120.918 -0.313 . . . . 10.0 110.409 179.62 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 22.7 mt -67.3 -41.34 85.55 Favored 'General case' 0 CA--C 1.516 -0.336 0 N-CA-C 109.471 -0.566 . . . . 10.0 109.471 178.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -61.26 -43.99 97.97 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.119 -0.697 . . . . 10.0 109.119 178.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 19.7 m -66.42 -38.32 87.18 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.416 -0.811 . . . . 10.0 109.822 178.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 4.7 m-30 -62.78 -41.52 99.29 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 116.005 -0.543 . . . . 10.0 109.898 178.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -58.32 -39.93 80.72 Favored 'General case' 0 CA--C 1.519 -0.245 0 N-CA-C 109.719 -0.474 . . . . 10.0 109.719 178.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 58.1 t -61.89 -49.32 84.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.078 -0.51 . . . . 10.0 109.995 179.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 6.8 p -67.1 -23.87 65.88 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.576 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -80.61 -44.56 18.72 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 109.986 -0.376 . . . . 10.0 109.986 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 53.4 mt -59.74 -46.16 90.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.811 -0.631 . . . . 10.0 111.09 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 5.4 p -65.48 -34.46 78.33 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.199 0.523 . . . . 10.0 110.678 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -70.21 -55.68 8.69 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.359 179.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 90.9 mt -56.49 -47.49 79.15 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.445 0.535 . . . . 10.0 112.445 -179.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -58.91 -47.89 83.38 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.404 -0.362 . . . . 10.0 111.425 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -70.36 -39.49 74.61 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 111.944 0.349 . . . . 10.0 111.944 -179.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -60.61 -45.61 93.37 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.708 0.289 . . . . 10.0 111.138 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 4.9 m -64.87 -24.93 67.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.239 -0.437 . . . . 10.0 111.213 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -82.66 -35.63 26.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.837 0.351 . . . . 10.0 110.975 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -71.65 -37.43 70.81 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.066 0.46 . . . . 10.0 110.071 178.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 5.4 mt -100.11 27.23 5.73 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.423 -0.808 . . . . 10.0 110.525 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 . . . . . 0 C--N 1.324 -0.512 0 CA-C-N 116.438 -0.346 . . . . 10.0 111.277 -179.755 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 N--CA 1.454 -0.253 0 CA-C-O 120.71 0.29 . . . . 10.0 110.309 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.68 131.11 42.28 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.057 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -95.95 139.01 32.77 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.484 -0.325 . . . . 10.0 110.176 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 99.6 m-85 -131.71 110.89 11.21 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.512 -0.313 . . . . 10.0 110.187 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 46.2 mttm -81.47 110.98 17.39 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.163 -0.471 . . . . 10.0 110.651 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 11.1 mt -108.93 121.35 44.92 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.72 -0.673 . . . . 10.0 110.573 -178.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 48.0 t -107.36 121.66 60.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-O 120.764 0.316 . . . . 10.0 110.808 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 10.3 t -93.5 111.08 24.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.637 -0.505 . . . . 10.0 109.637 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 5.3 m -117.0 159.03 17.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.122 0.487 . . . . 10.0 111.842 -179.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 155.64 -163.45 31.68 Favored Glycine 0 N--CA 1.446 -0.649 0 CA-C-N 115.42 -0.809 . . . . 10.0 111.359 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -86.93 -170.49 3.09 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.709 0.29 . . . . 10.0 110.606 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -98.43 137.08 37.64 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.487 -0.324 . . . . 10.0 111.171 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 86.06 9.66 76.6 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 121.082 -0.58 . . . . 10.0 113.058 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 18.8 m -81.7 -15.87 12.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.696 0.248 . . . . 10.0 111.243 -179.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 99.58 26.43 8.63 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.483 -0.865 . . . . 10.0 113.811 178.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 31.8 mtmt -63.84 -34.74 78.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.027 0.441 . . . . 10.0 110.033 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 2.1 m -78.87 -43.39 25.12 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.809 -0.632 . . . . 10.0 109.661 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.21 -44.55 79.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.086 -0.506 . . . . 10.0 110.898 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 73.8 mt -66.12 -49.31 67.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 10.0 111.476 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 16.2 m -63.96 -45.64 88.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.443 -0.344 . . . . 10.0 111.526 -179.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 95.2 mt -63.01 -34.2 65.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.677 0.275 . . . . 10.0 110.637 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -69.77 -16.65 63.34 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.904 0.383 . . . . 10.0 111.348 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 9.8 tp -98.41 -37.4 9.62 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.997 0.427 . . . . 10.0 110.471 179.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 49.3 mm -79.74 -58.79 3.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.73 -0.668 . . . . 10.0 111.899 -179.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -93.79 -11.8 30.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.875 0.369 . . . . 10.0 111.093 -179.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 64.7 m-80 62.66 29.4 16.86 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 113.802 1.038 . . . . 10.0 113.802 178.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -132.44 150.15 52.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.758 0.313 . . . . 10.0 110.805 179.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -93.98 129.58 40.4 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.878 -179.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 34.9 m -90.6 -171.27 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.625 -0.716 . . . . 10.0 109.605 178.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -149.87 -39.9 0.14 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.927 0.394 . . . . 10.0 110.918 179.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -79.88 146.53 32.12 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.1 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -85.81 113.05 21.66 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.134 -179.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -114.85 101.85 54.61 Favored Pre-proline 0 C--N 1.324 -0.507 0 N-CA-C 109.654 -0.499 . . . . 10.0 109.654 179.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -49.72 124.21 11.92 Favored 'Trans proline' 0 N--CA 1.473 0.273 0 C-N-CA 123.484 2.79 . . . . 10.0 113.103 -178.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 6.0 m -101.84 115.12 29.85 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.677 -0.692 . . . . 10.0 110.003 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 51.5 mm -81.77 -51.78 14.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 108.771 -0.826 . . . . 10.0 108.771 178.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -167.09 88.41 0.31 Allowed 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.35 -0.841 . . . . 10.0 110.243 179.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -106.18 123.82 48.63 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.885 -0.598 . . . . 10.0 110.664 -179.411 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.8 p -106.91 129.21 54.77 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.6 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -124.49 140.59 52.8 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.535 -0.302 . . . . 10.0 110.893 -178.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -117.82 134.56 54.8 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.785 -179.566 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 42.9 tttp -145.29 142.38 29.41 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.468 -0.333 . . . . 10.0 111.257 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -107.45 122.41 46.57 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.252 -0.431 . . . . 10.0 110.096 179.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 2.3 m -133.27 165.74 31.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.36 -0.382 . . . . 10.0 111.177 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 2.7 t -113.14 63.34 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.303 0.573 . . . . 10.0 110.315 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 22.1 mt -75.37 137.62 22.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.032 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 63.67 3.74 1.63 Allowed 'General case' 0 N--CA 1.474 0.746 0 O-C-N 123.615 0.572 . . . . 10.0 112.35 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 98.92 2.9 57.09 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.696 -0.764 . . . . 10.0 112.351 -179.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -117.99 135.99 53.81 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.884 0.342 . . . . 10.0 110.588 179.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 2.1 m -68.92 119.96 14.06 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.455 -0.572 . . . . 10.0 109.455 179.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -127.89 146.91 50.47 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.321 -0.399 . . . . 10.0 111.291 -178.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 42.6 tp -105.26 114.91 29.38 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.145 -0.687 . . . . 10.0 109.145 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 46.5 mt -85.88 124.13 32.01 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.122 -0.49 . . . . 10.0 111.666 -179.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -107.23 79.96 1.37 Allowed 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.222 -1.029 . . . . 10.0 108.222 178.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 6.3 mt -84.11 144.38 10.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.544 -0.753 . . . . 10.0 111.265 -177.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 23.3 tp -141.99 115.17 8.82 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.213 -0.449 . . . . 10.0 111.465 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -98.64 117.99 34.34 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 109.264 -0.643 . . . . 10.0 109.264 178.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 1.2 p -111.16 167.78 10.01 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.688 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.06 155.85 40.0 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.185 0.517 . . . . 10.0 111.585 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -138.4 40.07 1.51 Allowed Glycine 0 N--CA 1.447 -0.571 0 CA-C-N 115.992 -0.549 . . . . 10.0 111.897 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -104.96 21.4 17.12 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.632 0.253 . . . . 10.0 110.6 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 65.69 177.45 0.21 Allowed 'General case' 0 N--CA 1.462 0.175 0 N-CA-C 112.817 0.673 . . . . 10.0 112.817 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 69.88 27.42 4.51 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.948 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -120.55 31.63 6.36 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.107 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.48 -44.42 65.62 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.269 -0.878 . . . . 10.0 113.324 -178.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.58 -11.69 50.78 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 112.557 0.577 . . . . 10.0 112.557 -178.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 28.2 ttt -94.01 -41.8 9.37 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.55 -0.296 . . . . 10.0 111.648 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 4.4 ttp180 -59.83 -46.6 88.74 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.377 -0.374 . . . . 10.0 111.737 -179.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -59.27 -23.08 62.08 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 112.487 0.551 . . . . 10.0 112.487 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -70.03 -64.89 0.8 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.312 0.486 . . . . 10.0 112.312 -178.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 49.5 p90 -70.87 -17.17 62.73 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 112.455 0.539 . . . . 10.0 112.455 -178.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 10.6 mtt -69.55 -23.9 63.64 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.939 0.399 . . . . 10.0 111.058 179.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 44.3 ttm180 -75.03 -43.23 54.81 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.101 -0.499 . . . . 10.0 110.036 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.12 -31.26 58.55 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.838 -0.619 . . . . 10.0 111.011 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -55.89 125.41 37.05 Favored Glycine 0 C--N 1.331 0.302 0 CA-C-N 116.045 -0.525 . . . . 10.0 113.135 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -92.83 -42.37 9.57 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.916 0.389 . . . . 10.0 110.193 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -120.91 135.19 10.61 Favored Glycine 0 N--CA 1.445 -0.74 0 N-CA-C 110.909 -0.876 . . . . 10.0 110.909 179.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -112.53 120.47 41.71 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.4 0.619 . . . . 10.0 112.435 -179.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 10.8 tp -100.9 112.19 24.56 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.523 -0.762 . . . . 10.0 109.39 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 11.9 m -92.47 100.43 12.98 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.983 -0.553 . . . . 10.0 109.986 -179.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 77.2 t -102.31 125.44 56.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.853 0.359 . . . . 10.0 111.07 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 38.7 p90 -133.29 163.31 29.6 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.084 -0.507 . . . . 10.0 109.817 179.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -100.69 129.74 46.64 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 110.074 -0.343 . . . . 10.0 110.074 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 28.7 pt -68.55 -9.97 12.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 112.152 0.427 . . . . 10.0 112.152 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 20.6 p-10 -106.52 13.09 28.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.42 179.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -140.34 98.66 3.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.251 -0.432 . . . . 10.0 110.179 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.3 -30.72 69.66 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.809 0.67 . . . . 10.0 112.809 -178.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 22.2 tptp -62.31 -47.68 83.19 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.968 -0.293 . . . . 10.0 111.437 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 89.7 p -61.0 -27.45 68.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.388 -0.369 . . . . 10.0 110.934 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -72.47 -40.19 67.14 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.264 179.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -75.27 -34.44 61.35 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.954 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.35 -30.53 64.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.917 -0.583 . . . . 10.0 111.812 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 41.9 mm -60.66 -37.06 74.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.135 -0.484 . . . . 10.0 111.334 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 48.8 t60 -59.87 -49.0 79.41 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.054 0.454 . . . . 10.0 110.008 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -67.22 -35.19 79.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.7 -0.682 . . . . 10.0 110.398 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -62.35 -44.29 96.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.788 -0.642 . . . . 10.0 109.879 179.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 20.9 ttt180 -62.68 -42.37 99.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.079 -0.51 . . . . 10.0 110.766 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -61.45 -36.76 81.29 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.714 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -67.97 -40.06 83.23 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.564 -0.532 . . . . 10.0 109.564 178.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 88.0 mt -59.98 -45.21 95.62 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-O 121.047 0.451 . . . . 10.0 110.155 179.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 19.5 mtmt -64.36 -22.95 67.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.309 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -84.64 -50.63 7.49 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.411 -0.359 . . . . 10.0 111.093 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 47.1 t -59.04 -57.28 12.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.0 -0.546 . . . . 10.0 111.941 -179.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -79.25 -11.66 59.95 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.41 -0.359 . . . . 10.0 111.511 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 17.3 t0 56.11 32.94 21.03 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.642 0.734 . . . . 10.0 110.545 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 12.0 m -133.16 143.57 49.32 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.582 -0.735 . . . . 10.0 111.023 -178.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -92.69 -30.34 15.61 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.189 0.519 . . . . 10.0 110.053 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -92.27 82.54 4.97 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.833 -0.621 . . . . 10.0 110.738 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 70.9 t -123.06 130.7 24.49 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 115.695 -0.684 . . . . 10.0 109.69 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -62.61 109.42 0.88 Allowed 'Trans proline' 0 C--O 1.234 0.301 0 C-N-CA 123.094 2.529 . . . . 10.0 112.089 179.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 22.6 mtm -133.58 149.17 51.64 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.945 -0.57 . . . . 10.0 109.687 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 60.5 t -133.32 142.44 41.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 109.697 -0.483 . . . . 10.0 109.697 179.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 15.6 tp -99.31 118.88 36.95 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.96 0.409 . . . . 10.0 110.506 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 85.7 t -114.75 113.12 42.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.222 -0.444 . . . . 10.0 111.391 -179.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -93.28 97.98 2.31 Favored Glycine 0 N--CA 1.45 -0.396 0 N-CA-C 110.481 -1.048 . . . . 10.0 110.481 178.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -89.19 174.39 7.88 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.827 0.346 . . . . 10.0 111.841 -178.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 16.1 mmtt 67.75 24.77 8.21 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.608 -0.724 . . . . 10.0 111.538 179.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 53.7 m -68.87 -13.47 62.44 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.195 -0.457 . . . . 10.0 111.618 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.03 -25.04 55.29 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.449 179.096 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 85.1 mt -79.77 132.84 59.92 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.868 -0.605 . . . . 10.0 110.891 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -77.66 169.27 21.15 Favored 'Trans proline' 0 N--CA 1.459 -0.511 0 C-N-CA 123.103 2.535 . . . . 10.0 111.403 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 16.3 m 62.14 54.45 2.69 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.495 0.664 . . . . 10.0 111.732 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 1.4 ptp180 -73.41 148.16 43.57 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.444 -0.798 . . . . 10.0 110.666 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -97.53 -43.73 7.12 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.538 -0.541 . . . . 10.0 109.538 178.495 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 47.5 t -85.1 110.04 18.84 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-N 115.745 -0.661 . . . . 10.0 109.658 179.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -77.74 153.2 33.16 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.76 -0.654 . . . . 10.0 110.37 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 1.8 m -60.36 -34.25 73.59 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.469 -0.332 . . . . 10.0 111.177 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -52.11 66.94 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 112.656 0.613 . . . . 10.0 112.656 -179.084 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -67.82 -34.6 77.06 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.041 0.386 . . . . 10.0 112.041 -178.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.54 -46.75 84.57 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.326 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -73.93 -28.25 61.43 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.737 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -66.45 -42.11 88.12 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.088 -0.506 . . . . 10.0 110.628 179.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 34.4 tp -71.0 -44.34 66.12 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.208 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.2 -21.95 66.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.883 -0.599 . . . . 10.0 111.805 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -61.62 -41.67 97.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.017 0.437 . . . . 10.0 111.283 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 19.4 m -77.82 -6.74 55.17 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.095 -0.502 . . . . 10.0 111.262 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 22.7 m-30 -100.26 -19.65 16.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.019 0.437 . . . . 10.0 110.268 179.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 77.9 16.43 79.94 Favored Glycine 0 N--CA 1.449 -0.492 0 N-CA-C 111.55 -0.62 . . . . 10.0 111.55 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 27.0 pt -106.16 149.44 38.16 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 120.674 0.273 . . . . 10.0 110.966 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -84.59 144.57 10.14 Favored 'Trans proline' 0 C--O 1.236 0.407 0 C-N-CA 122.858 2.372 . . . . 10.0 112.182 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -121.28 122.22 39.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.782 -0.645 . . . . 10.0 110.416 178.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 5.1 mp -125.53 125.78 69.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.471 -0.332 . . . . 10.0 110.457 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -67.11 128.22 35.54 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.962 -0.384 . . . . 10.0 109.962 178.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.64 146.67 50.47 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.205 0.526 . . . . 10.0 112.327 -178.393 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 4.1 m -127.11 115.76 19.64 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.741 -0.837 . . . . 10.0 108.741 179.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -69.02 -26.21 64.88 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.867 0.692 . . . . 10.0 112.867 -178.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 27.0 ttmt -68.25 -57.54 5.82 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.151 0.426 . . . . 10.0 112.151 -178.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 1.9 p -81.16 -16.66 52.26 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.744 0.276 . . . . 10.0 111.744 -178.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 65.83 10.88 7.22 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.656 -0.702 . . . . 10.0 112.107 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -70.18 113.84 7.75 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.494 -0.775 . . . . 10.0 111.125 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 91.16 -0.6 75.75 Favored Glycine 0 N--CA 1.447 -0.582 0 CA-C-N 115.76 -0.655 . . . . 10.0 112.803 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 91.3 t -72.44 -38.17 59.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.968 0.384 . . . . 10.0 111.434 -179.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.51 -51.32 67.88 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.165 -0.471 . . . . 10.0 111.309 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -70.74 -23.39 62.42 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.893 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -58.72 -47.53 84.25 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.834 0.349 . . . . 10.0 111.351 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -69.19 -29.49 67.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.21 0.528 . . . . 10.0 110.734 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 16.4 m-30 -67.48 -29.0 68.33 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.821 -0.627 . . . . 10.0 111.061 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 1.7 m -61.41 -47.03 87.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.982 -179.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 14.1 tp -60.62 -40.72 92.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.934 0.397 . . . . 10.0 111.125 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 47.8 t -64.78 -39.23 84.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.029 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.64 -37.03 85.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.258 179.613 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -62.58 -37.64 86.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.0 0.429 . . . . 10.0 110.082 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 57.9 mt -73.03 -37.7 53.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.055 -0.521 . . . . 10.0 109.96 179.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 57.7 mtt180 -68.02 -41.33 82.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.985 -0.552 . . . . 10.0 111.047 179.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 10.0 111.17 179.627 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 19.4 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.755 0.312 . . . . 10.0 110.58 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 3.4 m -111.96 134.94 53.21 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.249 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 49.4 tt0 -94.55 133.2 38.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.69 -0.232 . . . . 10.0 110.835 -179.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -128.22 115.56 18.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.316 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 56.1 mttm -85.2 112.08 20.4 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.114 0.483 . . . . 10.0 110.814 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 11.8 mt -109.63 121.98 46.41 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.61 -0.723 . . . . 10.0 111.338 -178.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 59.9 t -105.46 118.23 52.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.242 -0.435 . . . . 10.0 110.004 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 20.2 t -91.95 105.93 17.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 109.57 -0.53 . . . . 10.0 109.57 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 4.0 m -104.05 154.75 5.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.224 0.535 . . . . 10.0 111.464 -179.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.08 164.79 16.6 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 121.004 -0.617 . . . . 10.0 111.706 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.92 -167.03 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.248 0.547 . . . . 10.0 111.442 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -84.32 149.02 26.33 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.003 -0.544 . . . . 10.0 111.433 -179.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 57.18 29.4 59.78 Favored Glycine 0 CA--C 1.521 0.468 0 N-CA-C 114.772 0.669 . . . . 10.0 114.772 179.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 20.6 m -88.79 -31.12 5.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 117.38 0.59 . . . . 10.0 111.795 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 115.51 18.84 5.98 Favored Glycine 0 CA--C 1.518 0.242 0 C-N-CA 120.781 -0.724 . . . . 10.0 113.433 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -60.84 -50.5 73.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.312 0.577 . . . . 10.0 110.629 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 33.7 m -66.91 -42.29 85.66 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.486 -0.779 . . . . 10.0 110.954 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.25 -45.79 87.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.421 -0.354 . . . . 10.0 111.078 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 65.2 mt -65.27 -46.45 80.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.884 0.374 . . . . 10.0 110.983 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 27.8 m -63.33 -42.77 98.99 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.885 -0.598 . . . . 10.0 111.637 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 73.5 mt -63.48 -36.07 74.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 110.006 -0.368 . . . . 10.0 110.006 179.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -65.47 -36.08 82.83 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.116 0.484 . . . . 10.0 110.209 178.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 24.0 tp -76.95 -35.6 57.15 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.329 -0.396 . . . . 10.0 111.627 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 50.8 mm -85.88 -61.1 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 112.904 0.705 . . . . 10.0 112.904 -178.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -88.68 -9.4 52.16 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 112.138 0.422 . . . . 10.0 112.138 -178.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 67.97 32.63 5.0 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 114.629 1.344 . . . . 10.0 114.629 178.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -151.27 154.68 37.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.72 0.295 . . . . 10.0 111.114 178.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -102.27 130.33 48.94 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.2 -0.454 . . . . 10.0 110.723 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 4.8 m -104.84 125.71 59.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.86 -0.609 . . . . 10.0 109.597 178.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -79.9 -14.25 58.77 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.413 0.625 . . . . 10.0 110.864 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -77.79 136.01 38.06 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.505 -0.771 . . . . 10.0 110.097 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -79.79 119.59 22.89 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.946 0.403 . . . . 10.0 111.017 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -100.0 115.97 65.05 Favored Pre-proline 0 C--O 1.237 0.433 0 CA-C-N 115.73 -0.668 . . . . 10.0 110.492 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -78.09 70.1 7.24 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.946 2.43 . . . . 10.0 110.863 179.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.3 134.31 48.95 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.501 -0.772 . . . . 10.0 111.715 -179.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 44.6 mm -107.62 -47.1 7.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 108.266 -1.013 . . . . 10.0 108.266 178.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -163.61 96.68 0.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.344 -0.844 . . . . 10.0 109.862 178.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -126.95 127.43 44.84 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.412 -0.358 . . . . 10.0 110.727 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 2.4 p -99.92 147.7 25.27 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.279 -0.419 . . . . 10.0 111.413 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -138.88 132.39 30.36 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.5 -0.556 . . . . 10.0 109.5 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -114.96 134.28 55.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.748 0.308 . . . . 10.0 111.038 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 50.4 tttp -143.45 143.21 31.5 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.471 -0.566 . . . . 10.0 109.471 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -117.5 109.99 17.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.639 0.256 . . . . 10.0 110.518 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 2.8 m -130.59 164.61 33.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.336 0.588 . . . . 10.0 111.448 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 47.7 t -93.48 94.88 4.89 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 115.669 -0.696 . . . . 10.0 109.877 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 29.5 mm -77.09 100.79 2.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 108.076 -1.083 . . . . 10.0 108.076 178.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 69.01 -97.4 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.555 -0.748 . . . . 10.0 109.857 -178.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . -124.67 12.48 7.82 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.75 -0.738 . . . . 10.0 111.869 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -125.74 132.82 52.27 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.829 0.347 . . . . 10.0 111.125 -179.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -78.54 121.95 25.27 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.751 -0.833 . . . . 10.0 108.751 177.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 4.0 m -125.44 141.68 51.92 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 112.531 0.567 . . . . 10.0 112.531 -178.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 53.7 tp -97.54 117.56 32.07 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.369 -0.974 . . . . 10.0 108.369 177.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 10.1 mt -88.88 121.09 30.89 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.462 0.648 . . . . 10.0 112.193 -178.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -103.89 81.97 1.93 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.479 -1.304 . . . . 10.0 107.479 177.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 6.4 mt -89.03 148.15 4.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.495 -0.775 . . . . 10.0 111.883 -177.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 16.6 tp -148.39 125.48 11.4 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.73 -0.668 . . . . 10.0 110.0 179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -84.26 138.82 32.74 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 109.841 -0.429 . . . . 10.0 109.841 178.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 25.0 p -99.42 165.97 11.4 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.246 -0.434 . . . . 10.0 111.211 -178.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -88.4 119.74 29.12 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.015 -0.539 . . . . 10.0 109.716 178.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -92.21 11.9 70.97 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.913 -0.66 . . . . 10.0 112.728 -179.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -85.32 2.87 42.29 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.991 0.367 . . . . 10.0 111.991 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 62.66 -158.54 0.32 Allowed 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 109.781 -0.451 . . . . 10.0 109.781 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 71.5 -42.58 0.54 Allowed 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 113.171 0.804 . . . . 10.0 113.171 179.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 70.5 m-85 -77.33 61.24 2.14 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.096 0.406 . . . . 10.0 112.096 -179.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.42 -37.61 77.52 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-O 120.836 0.35 . . . . 10.0 110.331 179.292 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.84 -39.23 51.92 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.494 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 8.9 ttt -62.95 -37.37 86.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.832 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 68' ' ' ARG . . . . . . . . . . . . . 17.6 ttp180 -64.21 -37.58 87.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.035 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.52 -33.45 71.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.884 -0.598 . . . . 10.0 111.303 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -60.7 -62.29 1.97 Allowed 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.818 0.673 . . . . 10.0 112.818 -179.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 71' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -73.73 -16.18 61.19 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 112.95 0.722 . . . . 10.0 112.95 -179.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 18.3 mtt -67.07 -32.38 73.51 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-O 121.131 0.491 . . . . 10.0 110.567 179.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 33.7 ttm105 -78.22 -32.46 49.87 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.297 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.97 -50.22 17.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.0 -0.545 . . . . 10.0 111.69 -179.512 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -61.74 140.07 47.0 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 121.131 -0.557 . . . . 10.0 113.774 -178.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -95.89 -51.27 4.54 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.171 0.51 . . . . 10.0 110.082 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -106.02 132.55 11.18 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.466 -0.788 . . . . 10.0 111.627 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 78' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -109.34 129.6 55.52 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.207 0.527 . . . . 10.0 111.625 -179.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 12.4 tp -109.29 107.4 17.61 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.69 -0.686 . . . . 10.0 109.661 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 47.7 m -87.15 96.4 10.3 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.379 0.609 . . . . 10.0 111.423 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 92.2 t -95.97 122.06 47.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.501 -0.772 . . . . 10.0 110.134 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 29.2 p90 -132.9 151.97 51.96 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.406 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -90.27 123.99 34.51 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.109 -0.7 . . . . 10.0 109.109 179.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 84' ' ' ILE . . . . . . . . . . . . . 27.6 pt -67.9 -11.87 14.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 112.765 0.654 . . . . 10.0 112.765 -179.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 20.6 p-10 -95.63 12.77 28.53 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.287 0.565 . . . . 10.0 110.344 178.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -140.53 105.03 4.88 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.64 -0.709 . . . . 10.0 110.374 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -61.04 -34.88 75.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.984 -179.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -55.83 -43.76 77.28 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.355 -0.384 . . . . 10.0 111.09 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 18.8 m -65.0 -32.56 74.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.055 -0.521 . . . . 10.0 110.987 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -73.11 -34.26 66.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.888 0.375 . . . . 10.0 111.236 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -77.01 -32.53 57.22 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.081 0.467 . . . . 10.0 110.548 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.36 -28.2 69.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.515 -0.766 . . . . 10.0 111.506 179.385 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 51.2 mm -52.1 -41.78 33.5 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-N 115.876 -0.602 . . . . 10.0 111.499 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 62.7 t60 -60.56 -54.37 46.26 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.959 -0.564 . . . . 10.0 111.135 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 62.3 m-70 -62.42 -38.71 90.77 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.918 -179.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -61.77 -44.99 95.8 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.819 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -66.02 -41.16 91.32 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.998 -0.546 . . . . 10.0 111.332 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -61.94 -42.51 99.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.117 -0.492 . . . . 10.0 111.59 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -64.27 -43.6 94.33 Favored 'General case' 0 C--O 1.226 -0.177 0 C-N-CA 120.768 -0.373 . . . . 10.0 110.593 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 92.9 mt -54.38 -48.53 68.42 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-O 121.271 0.558 . . . . 10.0 110.141 179.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 35.0 mtmt -63.36 -38.64 91.94 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.402 -0.817 . . . . 10.0 111.398 -179.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -70.31 -46.13 64.88 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.17 -0.468 . . . . 10.0 111.361 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 87.3 t -62.13 -52.6 58.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.332 -0.394 . . . . 10.0 111.723 -179.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -80.16 -6.68 58.19 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.618 -0.264 . . . . 10.0 111.65 -179.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 5.6 t70 53.05 51.53 15.59 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.461 0.648 . . . . 10.0 110.841 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 4.8 m -145.03 158.91 43.67 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.619 -0.719 . . . . 10.0 110.102 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 26.8 tp10 -107.81 -28.42 9.67 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.378 0.609 . . . . 10.0 110.356 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.81 91.34 3.95 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.436 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 55.1 t -118.24 128.92 25.69 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.001 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -59.18 105.43 0.24 Allowed 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.753 2.302 . . . . 10.0 111.713 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 111' ' ' MET . . . . . . . . . . . . . 58.4 mtm -134.55 157.01 47.65 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.802 -179.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 45.1 t -142.36 132.01 22.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.543 -0.539 . . . . 10.0 109.543 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 22.5 tp -91.29 121.9 33.44 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.949 -0.389 . . . . 10.0 109.949 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 83.9 t -118.57 117.28 54.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.17 -0.468 . . . . 10.0 111.552 -178.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -91.83 112.3 4.16 Favored Glycine 0 N--CA 1.446 -0.685 0 N-CA-C 110.358 -1.097 . . . . 10.0 110.358 178.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -96.13 164.39 12.7 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.674 0.237 . . . . 10.0 111.214 -178.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 95.2 mttt 65.27 33.11 9.43 Favored 'General case' 0 C--O 1.234 0.239 0 O-C-N 123.793 0.683 . . . . 10.0 111.648 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 118' ' ' CYS . . . . . . . . . . . . . 90.3 m -73.39 -8.09 54.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.2 -0.455 . . . . 10.0 112.126 -179.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -95.47 -5.56 42.68 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.795 0.331 . . . . 10.0 110.109 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 17.7 mt -87.01 127.77 58.27 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 10.0 110.746 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -67.31 158.33 57.51 Favored 'Trans proline' 0 C--O 1.237 0.431 0 C-N-CA 122.709 2.273 . . . . 10.0 112.253 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 50.4 m 63.55 59.62 1.19 Allowed 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.751 -0.659 . . . . 10.0 111.589 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 12.5 ptt180 -85.48 128.16 34.65 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 116.143 -0.481 . . . . 10.0 110.174 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.85 -45.85 63.73 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.613 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 57.5 t -84.77 123.82 39.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.275 -0.42 . . . . 10.0 110.232 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -92.67 151.69 19.95 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.19 -0.459 . . . . 10.0 109.947 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 1.6 m -56.2 -36.42 68.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.375 -0.375 . . . . 10.0 111.709 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 33.4 mttp -54.91 -51.82 64.83 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.308 -0.406 . . . . 10.0 112.025 -179.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -72.4 -31.19 65.32 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.008 0.432 . . . . 10.0 111.431 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.49 -42.31 92.31 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.038 0.447 . . . . 10.0 109.944 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -73.47 -27.81 61.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.02 179.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -64.0 -47.65 79.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.216 178.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 27.0 tp -64.53 -38.94 92.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.697 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.76 -34.8 79.18 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.428 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 -60.95 -46.06 92.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.681 -0.69 . . . . 10.0 110.874 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 69.3 m -64.6 -37.39 87.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.038 0.447 . . . . 10.0 111.641 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 9.4 m-30 -79.27 -21.1 46.57 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 116.358 -0.383 . . . . 10.0 111.753 -178.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 75.11 30.92 58.3 Favored Glycine 0 N--CA 1.452 -0.29 0 N-CA-C 111.073 -0.811 . . . . 10.0 111.073 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 43.7 pt -120.73 154.86 57.49 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 115.396 -0.402 . . . . 10.0 110.457 -179.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -78.02 143.67 20.66 Favored 'Trans proline' 0 N--CA 1.462 -0.358 0 C-N-CA 122.921 2.414 . . . . 10.0 112.156 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -122.16 134.05 54.73 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.605 -0.517 . . . . 10.0 109.605 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 79.0 mt -135.73 133.61 51.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.802 0.334 . . . . 10.0 110.729 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -85.4 125.88 33.34 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 108.782 -0.822 . . . . 10.0 108.782 178.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 76.4 p -133.83 177.61 7.59 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.205 0.526 . . . . 10.0 112.037 -178.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 6.2 t -152.74 130.27 11.46 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.815 -0.809 . . . . 10.0 108.815 179.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -71.26 -21.43 62.1 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.152 0.501 . . . . 10.0 110.619 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 18.5 ttmt -81.01 -58.43 3.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.701 -0.681 . . . . 10.0 111.648 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -73.81 -22.68 59.71 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 113.314 0.857 . . . . 10.0 113.314 -177.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 15.4 tpt180 68.49 17.37 9.09 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 122.128 0.966 . . . . 10.0 109.703 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -80.14 125.47 29.86 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.149 -0.932 . . . . 10.0 111.512 -179.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 71.67 -2.57 22.72 Favored Glycine 0 C--N 1.333 0.403 0 CA-C-N 116.011 -0.54 . . . . 10.0 114.372 178.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 72.8 t -63.62 -48.44 86.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 111.977 0.362 . . . . 10.0 111.977 -178.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.35 -38.93 91.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.785 0.326 . . . . 10.0 110.442 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -64.27 -41.36 96.95 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -62.88 -45.46 92.44 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.668 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -64.17 -44.15 92.95 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.807 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -62.44 -39.99 95.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.531 179.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 84.1 m -59.04 -42.78 91.08 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.96 -0.563 . . . . 10.0 111.992 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 45.5 tp -61.52 -43.67 98.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.959 0.409 . . . . 10.0 110.538 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 46.5 t -65.28 -38.71 83.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.889 -0.596 . . . . 10.0 109.837 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -63.47 -38.09 89.81 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.701 -0.682 . . . . 10.0 110.995 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -61.87 -42.65 99.31 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.472 -0.331 . . . . 10.0 110.753 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 41.8 mt -64.42 -45.0 97.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-N 116.31 -0.405 . . . . 10.0 110.349 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 27.3 ttm180 -65.16 -38.13 89.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.996 0.427 . . . . 10.0 110.033 179.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -64.79 -43.48 93.07 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.644 -0.707 . . . . 10.0 109.545 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -56.83 -45.24 82.46 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.901 -0.59 . . . . 10.0 110.591 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 63.9 mttm . . . . . 0 CA--C 1.53 0.174 0 CA-C-N 116.211 -0.449 . . . . 10.0 110.638 179.471 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.899 0.38 . . . . 10.0 111.613 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 47.3 mt -100.28 16.42 24.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.332 -0.395 . . . . 10.0 111.858 -178.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 67.1 mt -127.03 -53.84 1.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.889 0.376 . . . . 10.0 111.395 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -65.46 -47.54 75.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.832 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -73.76 -24.26 59.84 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.48 179.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 54.0 t90 -70.85 -28.19 64.39 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-N 115.604 -0.726 . . . . 10.0 109.511 179.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -61.05 -41.89 97.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.393 -0.821 . . . . 10.0 110.124 179.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 3.3 m -61.49 -36.99 82.04 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.222 -0.444 . . . . 10.0 110.771 179.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 24.5 t -64.08 -43.01 97.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 108.579 -0.897 . . . . 10.0 108.579 178.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 18.9 m -64.39 -40.25 95.45 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.223 -0.898 . . . . 10.0 110.138 179.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 5.2 m -63.05 -39.8 95.82 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.547 -0.538 . . . . 10.0 109.547 178.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 36.5 m -66.15 -47.55 73.66 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.815 -0.63 . . . . 10.0 110.228 179.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -58.54 -40.2 82.31 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.372 -0.376 . . . . 10.0 111.147 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 16.9 m -64.32 -47.83 77.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 10.0 109.959 179.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp -61.48 -41.13 96.8 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.992 0.425 . . . . 10.0 109.864 179.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 65.7 mt -63.22 -43.17 98.88 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.081 178.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 19.2 mtt180 -64.89 -39.71 93.95 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 123.371 0.42 . . . . 10.0 110.982 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -69.25 -32.58 71.88 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.959 0.409 . . . . 10.0 110.448 179.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -77.91 -30.45 50.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.488 -0.778 . . . . 10.0 110.129 179.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 33.4 mt -55.81 -34.21 65.15 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 115.91 -0.586 . . . . 10.0 111.356 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -55.66 -70.61 0.91 Allowed Glycine 0 C--N 1.332 0.326 0 N-CA-C 111.1 -0.8 . . . . 10.0 111.1 178.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -51.06 -42.15 54.08 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.956 2.437 . . . . 10.0 112.005 178.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 77.7 t -56.69 -55.32 20.32 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 CA-C-O 120.731 0.3 . . . . 10.0 110.958 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 17.7 p -65.77 -37.35 86.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.317 -0.401 . . . . 10.0 110.977 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -58.4 -50.65 72.93 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.095 0.474 . . . . 10.0 111.112 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -71.13 -40.53 71.36 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.907 -0.588 . . . . 10.0 111.34 -179.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -66.22 -40.69 90.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.624 -0.262 . . . . 10.0 111.655 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -61.64 -38.7 88.66 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.765 -0.457 . . . . 10.0 109.765 178.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -67.92 -43.78 78.39 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.584 -0.524 . . . . 10.0 109.584 178.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 -62.21 -40.28 95.58 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.899 -0.591 . . . . 10.0 109.92 178.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 67.9 mt -66.25 -39.73 89.68 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.179 -0.674 . . . . 10.0 109.179 178.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -65.04 -29.92 70.85 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.852 -0.613 . . . . 10.0 111.169 179.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 37.3 mttt -67.55 -39.29 84.96 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.434 -0.951 . . . . 10.0 108.434 177.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.15 -46.63 64.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 114.823 -1.08 . . . . 10.0 110.366 179.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 2.8 p -64.3 -36.46 84.19 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 116.311 -0.404 . . . . 10.0 110.082 179.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -60.38 -46.54 89.62 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 108.277 -1.008 . . . . 10.0 108.277 177.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -58.98 -46.67 93.35 Favored Glycine 0 N--CA 1.44 -1.054 0 N-CA-C 110.245 -1.142 . . . . 10.0 110.245 178.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 71.4 mt -63.98 -29.92 71.04 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.504 0.187 . . . . 10.0 111.504 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 52.7 mtt180 -69.13 -39.29 78.97 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.056 -0.72 . . . . 10.0 109.056 178.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -74.54 -39.48 62.3 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.034 -0.728 . . . . 10.0 109.034 178.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -66.05 -21.79 66.4 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.46 -0.791 . . . . 10.0 110.06 178.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 49.7 ttm -61.17 -35.54 77.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.38 0.61 . . . . 10.0 109.924 178.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 2.1 m -76.27 0.23 20.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.329 -0.85 . . . . 10.0 111.118 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -119.34 -60.88 1.69 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.411 -0.589 . . . . 10.0 109.411 178.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 246' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.6 -59.08 5.95 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.52 -0.764 . . . . 10.0 111.501 -179.47 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . 95.7 mt -78.44 -48.65 14.99 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.807 0.669 . . . . 10.0 112.807 -178.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -58.94 -48.76 80.34 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.997 0.74 . . . . 10.0 112.997 -179.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -71.53 -32.16 67.85 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.855 -0.338 . . . . 10.0 111.666 -179.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 250' ' ' VAL . . . . . . . . . . . . . 1.1 p -70.29 -30.17 42.21 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 C-N-CA 120.505 -0.478 . . . . 10.0 110.138 178.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 69.5 tttt -82.15 -28.53 32.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.081 179.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -75.24 -39.97 59.42 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.168 -0.678 . . . . 10.0 109.168 178.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 47.2 mttt -81.63 -18.6 44.07 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.488 -0.778 . . . . 10.0 110.975 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 254' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.61 -27.22 41.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.789 0.328 . . . . 10.0 110.767 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -61.92 -65.57 2.07 Favored Pre-proline 0 CA--C 1.531 0.25 0 CA-C-N 115.966 -0.561 . . . . 10.0 111.007 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.33 -33.37 38.79 Favored 'Trans proline' 0 C--N 1.355 0.91 0 C-N-CA 122.151 1.901 . . . . 10.0 112.599 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 5.4 m-30 -63.76 -49.54 72.57 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.455 -0.338 . . . . 10.0 110.753 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 44.9 mt -73.36 -30.93 63.65 Favored 'General case' 0 C--O 1.221 -0.419 0 N-CA-C 110.04 -0.356 . . . . 10.0 110.04 178.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -60.56 -54.55 44.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.501 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -62.11 -47.18 85.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.864 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 2.8 m-30 -61.51 -40.46 94.69 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.187 -0.461 . . . . 10.0 111.652 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -68.13 -43.3 78.64 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.592 -0.276 . . . . 10.0 110.704 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 38.3 mtmt -62.26 -46.1 90.34 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.64 -0.504 . . . . 10.0 109.64 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 264' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -62.59 -37.74 87.42 Favored 'General case' 0 C--O 1.223 -0.302 0 N-CA-C 109.715 -0.476 . . . . 10.0 109.715 178.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -64.41 -42.5 96.03 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 109.269 -0.641 . . . . 10.0 109.269 178.701 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -64.0 -42.83 97.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.597 -0.728 . . . . 10.0 109.493 178.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -64.48 -43.65 93.49 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.328 -0.619 . . . . 10.0 109.328 178.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -59.67 -43.76 93.86 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.197 178.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 80.9 mmm -66.67 -39.92 88.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.492 . . . . 10.0 110.716 179.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -60.01 -48.3 82.27 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.514 -0.55 . . . . 10.0 109.514 178.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 95.4 mt -62.47 -42.8 99.74 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.971 -0.559 . . . . 10.0 110.386 179.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -65.42 -35.52 81.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.011 -0.541 . . . . 10.0 111.159 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 48.3 mtt180 -75.29 -37.44 60.87 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.148 0.499 . . . . 10.0 110.326 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -72.42 -17.92 61.76 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.596 179.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 275' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -98.1 -37.32 9.78 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.232 -0.44 . . . . 10.0 111.189 179.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 5.4 p -56.75 -32.5 38.27 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.292 0 N-CA-C 112.624 0.602 . . . . 10.0 112.624 -178.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 83.4 mt-10 -67.03 -61.12 5.16 Favored Pre-proline 0 CA--C 1.534 0.36 0 N-CA-C 112.326 0.491 . . . . 10.0 112.326 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -61.43 -35.77 81.3 Favored 'Trans proline' 0 C--N 1.354 0.865 0 C-N-CA 121.756 1.637 . . . . 10.0 111.632 178.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 63.4 mt -66.8 -43.39 84.0 Favored 'General case' 0 CA--C 1.522 -0.132 0 CA-C-O 120.702 0.287 . . . . 10.0 110.248 179.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -58.97 -35.21 72.8 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 116.094 -0.503 . . . . 10.0 109.799 178.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -59.87 -50.88 72.04 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.014 178.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -62.92 -42.43 99.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.693 -0.685 . . . . 10.0 110.238 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 43.9 mt -65.09 -38.23 90.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.073 -0.512 . . . . 10.0 111.089 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -71.72 -54.67 9.55 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.377 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -61.36 -39.5 90.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.329 -0.396 . . . . 10.0 111.057 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -65.69 -44.35 92.62 Favored Glycine 0 N--CA 1.446 -0.679 0 N-CA-C 110.223 -1.151 . . . . 10.0 110.223 178.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -64.94 -39.57 93.71 Favored 'General case' 0 C--O 1.224 -0.27 0 N-CA-C 109.866 -0.42 . . . . 10.0 109.866 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -55.44 -47.0 76.69 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.154 -0.475 . . . . 10.0 109.833 178.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -68.33 -50.6 52.18 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.738 179.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 78.2 mttt -58.28 -43.81 88.15 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.288 0.477 . . . . 10.0 112.288 -179.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 88.3 mt -66.61 -42.76 86.33 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.718 0.294 . . . . 10.0 110.439 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -65.17 -38.75 91.52 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.365 -0.606 . . . . 10.0 109.365 178.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -60.19 -40.84 91.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.58 -0.736 . . . . 10.0 109.727 179.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 87.5 mt -71.42 -35.4 70.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.739 -0.664 . . . . 10.0 110.0 179.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -67.39 -31.41 71.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.033 179.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -68.24 -10.39 54.23 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.764 -0.653 . . . . 10.0 109.994 178.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt -107.48 -47.46 3.63 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.127 -0.694 . . . . 10.0 109.127 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 86.5 mt -59.54 -25.28 64.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.773 -0.649 . . . . 10.0 112.439 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 299' ' ' SER . . . . . . . . . . . . . 15.2 m -77.03 -66.07 0.35 Allowed Pre-proline 0 C--N 1.322 -0.594 0 CA-C-O 119.351 -0.357 . . . . 10.0 111.957 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 300' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -68.91 -50.0 0.63 Allowed 'Trans proline' 0 C--N 1.356 0.97 0 C-N-CA 121.654 1.569 . . . . 10.0 112.624 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 85.2 mt -65.83 -32.02 73.31 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 120.752 0.311 . . . . 10.0 110.512 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -70.32 -43.82 61.4 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 110.739 -0.945 . . . . 10.0 110.739 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -62.35 -45.9 91.07 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.023 -0.732 . . . . 10.0 109.023 178.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -62.61 -38.64 90.96 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.356 -0.838 . . . . 10.0 109.239 178.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 11.6 tpt -62.75 -39.36 93.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.429 179.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 47.1 mtt180 -63.71 -40.43 96.76 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.006 -0.543 . . . . 10.0 109.659 178.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -70.14 -36.58 74.86 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.213 179.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 8.4 mmt85 -69.2 -35.5 76.29 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.229 -0.656 . . . . 10.0 109.229 178.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -62.72 -40.27 96.66 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 108.331 -0.989 . . . . 10.0 108.331 178.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 310' ' ' ARG . . . . . . . . . . . . . 76.8 mtt180 -59.1 -49.47 77.77 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-N 115.308 -0.86 . . . . 10.0 108.75 178.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -60.77 -39.44 88.82 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.748 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -60.47 -54.01 50.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.893 -0.594 . . . . 10.0 109.993 179.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 313' ' ' VAL . . . . . 0.403 ' CG1' ' HE ' ' A' ' 317' ' ' ARG . 9.5 t -71.94 -26.38 25.37 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.24 0 CA-C-N 115.629 -0.714 . . . . 10.0 111.272 -179.453 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -64.2 -49.3 72.55 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 109.25 -0.648 . . . . 10.0 109.25 178.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -64.41 -37.38 87.31 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.669 -0.696 . . . . 10.0 109.209 178.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 29.3 mt -63.82 -51.96 62.36 Favored 'General case' 0 C--O 1.22 -0.48 0 CA-C-N 115.685 -0.689 . . . . 10.0 110.1 179.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 317' ' ' ARG . . . . . 0.403 ' HE ' ' CG1' ' A' ' 313' ' ' VAL . 32.4 mtm180 -63.11 -43.52 98.2 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.799 0.296 . . . . 10.0 111.799 -179.474 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 26.0 m -63.39 -30.71 71.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.823 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 14.6 m170 -90.18 -33.62 16.14 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.985 -0.286 . . . . 10.0 111.68 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 31.7 mt -67.89 -31.09 70.64 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.944 0.35 . . . . 10.0 111.944 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -55.36 -60.01 9.51 Favored Pre-proline 0 CA--C 1.536 0.411 0 N-CA-C 111.975 0.361 . . . . 10.0 111.975 179.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -69.53 -28.04 26.85 Favored 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 121.274 1.316 . . . . 10.0 111.489 178.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 10.6 m-30 -66.9 -47.93 70.3 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 116.5 -0.318 . . . . 10.0 111.166 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 22.0 p -65.57 -36.97 85.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.792 0.33 . . . . 10.0 110.35 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -62.74 -38.55 90.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.175 0.512 . . . . 10.0 109.621 178.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -72.54 -31.9 65.65 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 109.258 -0.645 . . . . 10.0 109.258 178.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 53.5 mt -64.91 -32.84 74.74 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 108.89 -0.782 . . . . 10.0 108.89 177.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 69.9 mtt180 -64.05 -44.0 93.79 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 108.645 -0.872 . . . . 10.0 108.645 178.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -64.35 -38.38 90.84 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.537 -0.756 . . . . 10.0 109.477 178.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 35.0 mtt-85 -63.8 -50.55 68.5 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 109.15 -0.685 . . . . 10.0 109.15 178.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 48.6 mt -58.59 -43.85 89.65 Favored 'General case' 0 C--O 1.223 -0.341 0 CA-C-N 115.441 -0.8 . . . . 10.0 110.077 178.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -63.22 -52.48 62.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.666 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -58.92 -42.94 90.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 10.0 110.859 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 49.7 mtt-85 -66.77 -43.57 83.7 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.234 179.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 30.8 mt -61.03 -43.38 98.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.598 -0.273 . . . . 10.0 110.709 178.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -62.93 -42.46 99.81 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.71 0.29 . . . . 10.0 110.413 179.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -63.5 -40.38 96.9 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.341 -0.614 . . . . 10.0 109.341 178.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 96.0 mt -70.62 -17.78 62.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.111 -0.95 . . . . 10.0 110.6 178.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 68.6 mttt -86.0 -47.65 9.39 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.372 -0.603 . . . . 10.0 109.372 178.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -60.33 -55.18 36.72 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.762 -0.654 . . . . 10.0 109.677 178.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -73.24 -31.34 64.07 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.666 -0.697 . . . . 10.0 110.486 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -63.13 -47.84 84.9 Favored Glycine 0 N--CA 1.454 -0.116 0 C-N-CA 120.994 -0.622 . . . . 10.0 111.875 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -60.39 -41.24 98.44 Favored Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 110.887 -0.885 . . . . 10.0 110.887 178.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -65.51 -44.42 87.05 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.701 -0.481 . . . . 10.0 109.701 178.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 10.1 mtm180 -60.62 -46.47 90.17 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.647 179.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 91.9 mt -59.91 -47.82 84.22 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.209 -0.451 . . . . 10.0 110.915 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.58 -49.04 79.13 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.499 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -63.73 -40.1 95.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.852 179.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -61.96 -43.97 97.74 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.426 -0.352 . . . . 10.0 110.319 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 48.0 m-70 -70.48 -34.83 72.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.378 -0.373 . . . . 10.0 110.441 179.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -65.63 -47.38 75.81 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.036 -0.727 . . . . 10.0 109.036 178.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 10.7 mtmm -63.29 -37.23 86.44 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 115.554 -0.748 . . . . 10.0 109.537 178.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.07 -37.92 89.09 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.709 -0.678 . . . . 10.0 109.638 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 40.3 m -63.77 -47.06 82.48 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.224 -0.443 . . . . 10.0 109.819 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -64.32 -36.98 85.9 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.191 0.519 . . . . 10.0 109.856 178.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -67.31 -35.38 79.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.436 -0.802 . . . . 10.0 109.833 178.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 56.2 mt -68.26 -36.41 79.39 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.525 178.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 15.8 m -64.35 -46.33 83.91 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.744 -0.465 . . . . 10.0 109.744 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.48 -26.21 62.6 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.186 0.517 . . . . 10.0 110.168 179.07 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 31.3 tp -71.99 -31.0 65.83 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 108.835 -0.802 . . . . 10.0 108.835 178.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 49.1 m -68.16 -28.66 67.48 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.55 -0.75 . . . . 10.0 109.303 178.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -68.2 -25.82 65.41 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 108.765 -0.828 . . . . 10.0 108.765 177.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 363' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -88.33 -32.05 18.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.437 -0.801 . . . . 10.0 109.893 178.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -78.73 -39.52 36.05 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.9 0.704 . . . . 10.0 112.9 -178.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 73.7 mttt -93.62 -74.29 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 113.057 0.762 . . . . 10.0 113.057 -179.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -63.11 -57.4 0.41 Allowed 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 122.18 1.92 . . . . 10.0 113.481 -179.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 367' ' ' ALA . . . . . . . . . . . . . . . -57.45 -49.26 76.83 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 113.079 0.77 . . . . 10.0 113.079 -178.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 11.0 mt -64.36 -41.14 96.89 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.698 0.259 . . . . 10.0 111.698 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -62.35 -46.36 89.03 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.348 -0.612 . . . . 10.0 109.348 178.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -57.52 -43.09 83.99 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.632 -0.713 . . . . 10.0 110.204 178.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 13.2 mt -60.47 -48.83 80.03 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.028 178.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 78.0 mtt180 -63.29 -40.45 97.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.062 -0.517 . . . . 10.0 111.065 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -61.07 -41.85 97.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.399 179.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -75.74 -23.68 71.9 Favored Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.68 -0.691 . . . . 10.0 112.35 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 20.7 mt -81.81 -26.67 34.16 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.027 0.38 . . . . 10.0 112.027 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 89.2 mt -50.47 -58.92 8.35 Favored Pre-proline 0 CA--C 1.535 0.37 0 N-CA-C 112.541 0.571 . . . . 10.0 112.541 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -67.47 -28.98 38.15 Favored 'Trans proline' 0 C--N 1.357 0.975 0 C-N-CA 121.892 1.728 . . . . 10.0 111.387 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 44.5 t -63.81 -42.2 95.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.223 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 82.0 mt -62.66 -36.7 83.7 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.585 -0.524 . . . . 10.0 109.585 179.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -68.58 -51.76 39.11 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.668 -0.697 . . . . 10.0 110.921 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 10.8 p -62.98 -35.1 79.05 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.009 0.433 . . . . 10.0 110.732 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -66.87 -40.65 87.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.168 -0.469 . . . . 10.0 109.812 178.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -62.59 -39.96 95.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.033 -0.53 . . . . 10.0 110.656 179.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 50.8 t -57.9 -50.95 76.13 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-O 120.939 0.4 . . . . 10.0 109.922 179.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 14.8 m -68.62 -30.85 69.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.825 -0.625 . . . . 10.0 111.459 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -71.06 -47.41 58.59 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.539 -0.3 . . . . 10.0 110.733 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 94.7 mt -60.82 -43.72 97.85 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.522 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 3.3 p -66.74 -37.19 84.17 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.47 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -63.77 -40.23 96.18 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.978 0.418 . . . . 10.0 110.111 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 81.2 mt -62.89 -38.8 92.35 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.428 -0.582 . . . . 10.0 109.428 178.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -69.62 -38.29 77.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.637 -0.71 . . . . 10.0 109.562 178.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -55.3 -47.9 74.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.38 178.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -64.18 -44.5 91.84 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.543 -0.753 . . . . 10.0 110.119 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 14.3 m -65.24 -34.69 78.96 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.093 -0.503 . . . . 10.0 111.958 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -75.99 -35.91 59.42 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.713 0.635 . . . . 10.0 112.713 -179.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.5 -28.36 16.12 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 113.914 1.079 . . . . 10.0 113.914 -178.352 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 92.2 mt -98.45 0.74 45.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.776 0.322 . . . . 10.0 111.635 -179.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 28.4 t30 . . . . . 0 C--N 1.321 -0.657 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.777 179.813 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.456 -0.171 0 CA-C-O 120.836 0.35 . . . . 10.0 110.391 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.94 36.57 0.73 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.05 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 75.7 mt -68.61 -43.54 76.19 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.613 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 5.4 mp -64.58 -32.43 74.08 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.967 -0.561 . . . . 10.0 110.594 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -63.43 -56.44 16.17 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.668 -0.697 . . . . 10.0 109.838 179.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -61.99 -37.64 85.59 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.928 -0.578 . . . . 10.0 109.977 179.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -59.29 -40.71 87.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.793 -0.639 . . . . 10.0 110.911 179.227 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -64.23 -44.14 92.78 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 109.951 -0.389 . . . . 10.0 109.951 179.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 5.1 m -59.78 -45.54 91.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.273 178.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 70.6 t -60.37 -45.32 96.73 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.145 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.381 179.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 24.1 m -62.32 -35.14 78.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.07 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 14.4 m -66.84 -34.21 77.31 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.224 179.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -71.32 -27.73 63.6 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 109.509 -0.552 . . . . 10.0 109.509 178.668 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -70.88 -37.21 73.03 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 108.725 -0.842 . . . . 10.0 108.725 177.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 13.0 m -61.86 -43.85 98.01 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 108.97 -0.752 . . . . 10.0 108.97 177.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 58.3 mmtt -65.41 -28.64 69.4 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.123 -0.49 . . . . 10.0 110.262 178.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.04 -45.57 66.84 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 108.29 -1.004 . . . . 10.0 108.29 178.055 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 74.8 mtt180 -63.11 -32.76 74.21 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.412 -0.813 . . . . 10.0 110.219 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -62.87 -38.84 92.47 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.319 0.58 . . . . 10.0 109.865 178.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 418' ' ' GLN . . . . . 0.408 ' C ' ' H ' ' D' ' 420' ' ' GLY . 46.0 mt-30 -76.55 -37.33 56.8 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.687 -0.688 . . . . 10.0 110.473 179.523 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 62.2 mt -71.04 9.97 0.63 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.008 -0.542 . . . . 10.0 112.174 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 420' ' ' GLY . . . . . 0.408 ' H ' ' C ' ' D' ' 418' ' ' GLN . . . -99.97 -79.99 1.48 Allowed Glycine 0 N--CA 1.444 -0.784 0 N-CA-C 110.919 -0.872 . . . . 10.0 110.919 178.541 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -65.31 -41.3 16.36 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.7 2.267 . . . . 10.0 112.203 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 83.1 t -57.52 -41.45 78.92 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.168 0 N-CA-C 112.381 0.512 . . . . 10.0 112.381 -179.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 6.4 p -68.17 -41.15 81.91 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.553 -0.459 . . . . 10.0 110.144 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -62.05 -48.25 81.06 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.796 179.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -70.69 -32.26 69.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.044 -0.526 . . . . 10.0 110.672 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -66.72 -38.32 86.48 Favored 'General case' 0 CA--C 1.52 -0.208 0 N-CA-C 109.175 -0.676 . . . . 10.0 109.175 178.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 11.4 m0 -65.82 -39.77 91.19 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.26 -0.644 . . . . 10.0 109.26 178.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -66.25 -38.03 86.88 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.618 -0.882 . . . . 10.0 108.618 178.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -64.11 -47.62 79.29 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.757 -0.831 . . . . 10.0 108.757 177.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 74.9 mt -61.39 -37.07 82.09 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.529 -0.759 . . . . 10.0 109.725 179.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -61.76 -43.53 98.67 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.222 -0.658 . . . . 10.0 109.222 178.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 23.9 mttp -61.9 -42.91 99.63 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 108.679 -0.86 . . . . 10.0 108.679 178.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -63.0 -45.13 93.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.663 -0.699 . . . . 10.0 110.275 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 6.6 m -62.59 -46.45 88.26 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 110.067 -0.346 . . . . 10.0 110.067 179.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -64.47 -43.27 94.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.942 179.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -64.06 -43.58 97.09 Favored Glycine 0 N--CA 1.452 -0.296 0 N-CA-C 110.86 -0.896 . . . . 10.0 110.86 178.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 84.2 mt -66.57 -31.65 72.49 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.989 -0.375 . . . . 10.0 109.989 178.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 50.6 mtt180 -62.75 -35.83 81.06 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 109.952 -0.388 . . . . 10.0 109.952 178.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -65.46 -35.77 81.89 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 109.153 -0.684 . . . . 10.0 109.153 178.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 78.1 mt-10 -75.2 -49.83 18.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.862 -0.608 . . . . 10.0 109.63 178.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 97.7 mmm -58.88 -40.28 83.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.741 -0.663 . . . . 10.0 112.76 -178.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 5.7 p -61.56 -49.92 74.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.894 0.378 . . . . 10.0 110.048 179.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -65.15 -39.71 93.35 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.001 -0.545 . . . . 10.0 109.865 179.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -60.76 -56.68 18.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.545 -0.752 . . . . 10.0 111.119 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 86.5 mt -65.83 -43.29 89.01 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.882 -0.599 . . . . 10.0 112.501 -178.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 446' ' ' GLU . . . . . 0.463 ' CD ' ' HZ1' ' D' ' 449' ' ' LYS . 10.5 mm-40 -61.98 -45.3 94.25 Favored 'General case' 0 CA--C 1.518 -0.27 0 C-N-CA 120.764 -0.374 . . . . 10.0 110.312 179.236 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 447' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -68.49 -36.33 78.78 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.918 -0.401 . . . . 10.0 109.918 178.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 2.0 t -55.19 -39.64 52.04 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.05 0 CA-C-O 120.845 0.355 . . . . 10.0 110.358 179.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 449' ' ' LYS . . . . . 0.463 ' HZ1' ' CD ' ' D' ' 446' ' ' GLU . 89.4 mttt -60.78 -39.7 89.82 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.217 0.532 . . . . 10.0 110.196 178.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -89.85 0.39 57.07 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.751 -0.659 . . . . 10.0 111.642 -179.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 5.3 mmmm -107.2 -45.45 4.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.594 0.235 . . . . 10.0 110.895 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 82.6 t -64.85 -36.23 77.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.397 -0.365 . . . . 10.0 111.227 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -57.62 -60.9 8.43 Favored Pre-proline 0 CA--C 1.536 0.408 0 C-N-CA 121.06 -0.256 . . . . 10.0 111.644 179.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -66.86 -30.35 40.46 Favored 'Trans proline' 0 C--N 1.353 0.809 0 C-N-CA 121.944 1.762 . . . . 10.0 111.368 178.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 78.4 t80 -61.56 -47.71 84.26 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.229 -0.656 . . . . 10.0 109.229 178.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 21.1 mt -67.19 -37.3 83.44 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.589 -0.732 . . . . 10.0 110.856 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -67.18 -50.83 59.62 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.977 0.418 . . . . 10.0 110.348 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 458' ' ' ASP . . . . . 0.5 ' CG ' ' HZ2' ' D' ' 462' ' ' LYS . 4.1 t70 -61.09 -40.37 93.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.592 -0.731 . . . . 10.0 110.437 179.346 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -70.71 -40.64 72.7 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.458 179.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -63.67 -36.69 84.66 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 110.146 -0.316 . . . . 10.0 110.146 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 57.4 mttt -62.97 -37.33 86.69 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 109.011 -0.737 . . . . 10.0 109.011 177.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 462' ' ' LYS . . . . . 0.5 ' HZ2' ' CG ' ' D' ' 458' ' ' ASP . 15.0 mtmm -71.16 -34.95 71.45 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.099 -0.5 . . . . 10.0 109.975 178.357 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 38.3 m0 -69.74 -38.75 76.93 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.736 -0.838 . . . . 10.0 108.736 178.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -61.26 -52.1 66.15 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 115.635 -0.711 . . . . 10.0 109.353 178.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 465' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -52.8 -53.71 44.56 Favored 'General case' 0 C--N 1.333 -0.15 0 O-C-N 123.675 0.609 . . . . 10.0 110.152 178.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.18 -40.33 89.62 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.152 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 33.1 ttm -63.07 -46.26 88.28 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 120.98 0.419 . . . . 10.0 110.469 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -64.79 -39.77 94.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.916 -0.583 . . . . 10.0 109.743 178.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 469' ' ' LEU . . . . . . . . . . . . . 97.4 mt -61.98 -39.67 92.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.791 -0.64 . . . . 10.0 110.389 178.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 18.9 m-30 -64.95 -30.93 71.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.918 0.39 . . . . 10.0 110.761 179.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 63.2 mtt180 -70.6 -26.97 63.75 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.223 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -107.64 2.25 23.76 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.951 -179.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 473' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -127.15 -66.49 0.89 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.477 -0.329 . . . . 10.0 110.907 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 55.6 t -56.43 -44.5 80.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.533 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -63.86 -60.73 8.29 Favored Pre-proline 0 CA--C 1.541 0.596 0 N-CA-C 112.25 0.463 . . . . 10.0 112.25 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_exo -56.67 -39.21 92.92 Favored 'Trans proline' 0 C--N 1.355 0.872 0 C-N-CA 122.385 2.057 . . . . 10.0 111.557 179.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 19.3 mt -67.86 -31.62 71.56 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 116.485 -0.325 . . . . 10.0 110.815 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 17.4 ttm180 -64.75 -41.21 96.07 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.265 -0.643 . . . . 10.0 109.265 178.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -71.24 -38.68 71.95 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.726 -0.67 . . . . 10.0 109.807 179.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -64.5 -47.96 76.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.621 -0.718 . . . . 10.0 109.699 179.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 76.9 mt -66.84 -32.11 73.16 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.746 -0.661 . . . . 10.0 110.454 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -66.38 -40.63 89.81 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.584 -0.524 . . . . 10.0 109.584 178.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -70.72 -42.63 70.31 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 109.439 -0.578 . . . . 10.0 109.439 179.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -61.71 -39.51 97.53 Favored Glycine 0 N--CA 1.45 -0.388 0 N-CA-C 110.257 -1.137 . . . . 10.0 110.257 178.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -69.08 -36.58 77.77 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.166 -0.679 . . . . 10.0 109.166 178.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 67.9 mtt180 -62.24 -44.4 96.65 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.126 -0.694 . . . . 10.0 109.126 178.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -63.9 -41.98 97.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.601 -0.727 . . . . 10.0 109.343 178.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -65.09 -36.9 85.77 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.848 -0.615 . . . . 10.0 109.751 178.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 27.8 mt -63.81 -38.73 92.17 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 108.537 -0.912 . . . . 10.0 108.537 178.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -67.59 -42.13 82.97 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 108.48 -0.933 . . . . 10.0 108.48 178.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -57.66 -43.14 84.74 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 108.273 -1.01 . . . . 10.0 108.273 177.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 93.2 mt -67.53 -39.62 85.04 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.583 -0.735 . . . . 10.0 110.705 178.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 493' ' ' GLN . . . . . 0.401 ' C ' ' H ' ' D' ' 495' ' ' LYS . 88.0 mt-30 -58.87 -42.01 88.41 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.769 0.319 . . . . 10.0 110.353 179.166 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -77.19 13.8 1.06 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.921 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 495' ' ' LYS . . . . . 0.401 ' H ' ' C ' ' D' ' 493' ' ' GLN . 30.0 mttp -128.72 -45.86 1.3 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.113 -0.494 . . . . 10.0 109.745 178.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 96.3 mt -59.77 -33.24 71.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.998 -0.547 . . . . 10.0 111.301 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 497' ' ' SER . . . . . . . . . . . . . 6.0 m -77.23 -65.9 0.35 Allowed Pre-proline 0 CA--C 1.538 0.494 0 CA-C-O 119.424 -0.322 . . . . 10.0 111.571 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 498' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_endo -61.56 -53.02 2.56 Favored 'Trans proline' 0 C--N 1.358 1.065 0 C-N-CA 121.721 1.614 . . . . 10.0 112.574 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 499' ' ' LEU . . . . . . . . . . . . . 78.7 mt -68.51 -25.8 65.13 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.915 0.388 . . . . 10.0 110.681 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -71.93 -50.08 19.94 Favored Glycine 0 N--CA 1.448 -0.512 0 N-CA-C 110.45 -1.06 . . . . 10.0 110.45 178.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -63.44 -36.27 83.19 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 108.984 -0.747 . . . . 10.0 108.984 178.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 502' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -65.95 -41.2 91.55 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.522 -0.763 . . . . 10.0 109.247 178.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 3.3 tmm? -62.85 -40.42 97.4 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 108.783 -0.821 . . . . 10.0 108.783 178.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -63.08 -43.09 99.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.398 -0.819 . . . . 10.0 109.513 178.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.86 -44.03 97.22 Favored 'General case' 0 N--CA 1.462 0.16 0 N-CA-C 109.675 -0.491 . . . . 10.0 109.675 178.56 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 506' ' ' ARG . . . . . . . . . . . . . 46.8 mtt180 -60.0 -46.36 89.72 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 108.904 -0.776 . . . . 10.0 108.904 178.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -60.14 -41.6 93.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.605 -0.725 . . . . 10.0 109.942 179.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 508' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -60.02 -46.08 90.69 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 109.742 -0.466 . . . . 10.0 109.742 178.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -65.74 -34.97 79.42 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.645 -0.707 . . . . 10.0 110.986 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -73.68 -49.89 23.59 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.29 -0.414 . . . . 10.0 110.429 179.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 62.2 t -62.12 -43.01 97.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.501 . . . . 10.0 110.95 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -64.4 -35.45 80.95 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 109.849 -0.426 . . . . 10.0 109.849 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -68.16 -39.1 82.67 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 108.652 -0.87 . . . . 10.0 108.652 178.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 514' ' ' LEU . . . . . . . . . . . . . 88.1 mt -61.47 -30.83 70.85 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.126 178.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 515' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -68.98 -26.7 65.16 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.123 -0.49 . . . . 10.0 110.213 178.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -105.45 1.87 28.09 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.177 0.513 . . . . 10.0 110.951 179.691 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 25.6 m170 -115.0 -57.64 2.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.245 -0.434 . . . . 10.0 111.54 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 72.5 mt -75.59 -49.39 18.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.947 -0.57 . . . . 10.0 112.449 -178.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 519' ' ' ALA . . . . . . . . . . . . . . . -52.63 -56.86 18.81 Favored Pre-proline 0 CA--C 1.534 0.363 0 N-CA-C 112.592 0.589 . . . . 10.0 112.592 -179.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 520' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_exo -60.13 -39.94 64.82 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 121.824 1.683 . . . . 10.0 110.959 179.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -61.69 -39.37 91.22 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.401 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 45.2 m -63.71 -38.31 90.65 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 109.476 -0.564 . . . . 10.0 109.476 178.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -68.31 -39.3 82.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.85 -0.614 . . . . 10.0 109.844 179.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -64.66 -42.24 95.54 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 108.552 -0.907 . . . . 10.0 108.552 177.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 80.5 mt -64.83 -29.46 70.42 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-N 115.429 -0.805 . . . . 10.0 110.451 178.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 526' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -62.53 -42.77 99.74 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.075 -0.713 . . . . 10.0 109.075 178.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -67.76 -39.46 84.17 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.773 -0.649 . . . . 10.0 110.314 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 528' ' ' ARG . . . . . . . . . . . . . 76.0 mtt180 -71.4 -47.96 52.78 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.782 -0.644 . . . . 10.0 110.932 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 26.7 mt -61.73 -33.72 74.54 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.558 -0.292 . . . . 10.0 110.43 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -61.68 -43.61 98.53 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.174 -0.676 . . . . 10.0 109.174 178.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -69.71 -40.07 76.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.705 -0.679 . . . . 10.0 109.968 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -62.1 -51.55 67.45 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.821 -0.627 . . . . 10.0 109.915 178.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 75.0 mt -64.87 -33.02 75.02 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.41 178.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -62.49 -44.4 96.47 Favored 'General case' 0 CA--C 1.518 -0.26 0 N-CA-C 108.911 -0.774 . . . . 10.0 108.911 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -66.49 -37.91 86.13 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 108.851 -0.796 . . . . 10.0 108.851 178.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 87.6 mt -67.14 -26.24 66.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.879 178.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 44.1 mtmt -83.01 -33.94 26.4 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.082 -0.71 . . . . 10.0 109.082 178.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -72.16 -57.66 4.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.389 -0.823 . . . . 10.0 109.864 179.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 13.8 m-20 -68.59 -33.34 73.88 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.454 -0.573 . . . . 10.0 109.454 179.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -65.53 -39.79 95.78 Favored Glycine 0 N--CA 1.445 -0.73 0 N-CA-C 110.52 -1.032 . . . . 10.0 110.52 178.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -64.44 -39.17 96.67 Favored Glycine 0 N--CA 1.447 -0.576 0 N-CA-C 109.889 -1.284 . . . . 10.0 109.889 178.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -66.31 -44.59 83.01 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.92 -0.77 . . . . 10.0 108.92 178.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 60.7 mtt85 -60.53 -40.54 91.89 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-N 115.7 -0.682 . . . . 10.0 109.98 178.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 13.8 mt -61.67 -48.44 80.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 10.0 110.141 178.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -62.71 -41.82 99.34 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.714 -0.676 . . . . 10.0 110.099 179.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -65.82 -41.13 92.2 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.821 -0.627 . . . . 10.0 109.967 178.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -65.02 -34.52 78.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.124 -0.489 . . . . 10.0 109.903 179.084 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -69.91 -43.01 72.57 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.221 -0.659 . . . . 10.0 109.221 178.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -66.25 -51.3 58.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.783 -0.644 . . . . 10.0 110.287 179.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.14 -27.09 68.49 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.054 -0.521 . . . . 10.0 111.63 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -66.85 -39.61 87.65 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.079 -0.711 . . . . 10.0 109.079 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 14.9 m -66.54 -44.88 81.2 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.72 -0.844 . . . . 10.0 108.72 178.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -61.61 -49.64 75.79 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 115.693 -0.685 . . . . 10.0 109.862 178.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 79.7 t60 -59.13 -40.36 85.23 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.142 179.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 12.4 tp -64.66 -45.25 87.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.013 -0.54 . . . . 10.0 111.093 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 5.0 p -60.0 -44.25 94.67 Favored 'General case' 0 CA--C 1.529 0.155 0 N-CA-C 111.898 0.333 . . . . 10.0 111.898 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -68.65 -29.96 68.55 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.934 0.397 . . . . 10.0 110.834 179.371 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 22.0 mt -66.59 -50.57 62.61 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 115.973 -0.558 . . . . 10.0 109.645 178.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 1.8 p -67.43 -34.67 77.7 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.616 -0.513 . . . . 10.0 109.616 178.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -58.52 -27.51 64.58 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.436 -0.802 . . . . 10.0 110.45 178.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.35 -41.56 6.99 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.519 179.082 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -56.02 -48.72 75.43 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.577 0.584 . . . . 10.0 112.577 -179.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -54.16 -60.85 6.47 Favored Pre-proline 0 CA--C 1.535 0.377 0 N-CA-C 112.715 0.635 . . . . 10.0 112.715 -179.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -68.46 -34.97 18.97 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 121.64 1.56 . . . . 10.0 112.853 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -65.79 -47.02 76.54 Favored 'General case' 0 CA--C 1.516 -0.364 0 C-N-CA 121.208 -0.197 . . . . 10.0 111.224 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 43.2 mt -58.96 -46.74 87.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.485 -0.325 . . . . 10.0 110.253 179.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -65.15 -42.69 93.52 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.481 -0.327 . . . . 10.0 111.189 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.81 -42.47 94.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.411 -0.358 . . . . 10.0 110.41 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 77.5 mt -66.28 -41.64 89.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.004 178.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 66.0 mtt180 -62.43 -52.71 62.49 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.621 179.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -66.86 -23.43 66.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.959 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -82.23 -34.02 24.54 Favored Glycine 0 N--CA 1.444 -0.832 0 N-CA-C 111.054 -0.818 . . . . 10.0 111.054 178.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 20.5 mt -71.77 -25.15 61.91 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 122.072 0.149 . . . . 10.0 111.348 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 95.4 mt -53.92 -60.47 7.24 Favored Pre-proline 0 CA--C 1.542 0.65 0 O-C-N 123.106 0.254 . . . . 10.0 111.68 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -69.51 -28.44 26.47 Favored 'Trans proline' 0 C--N 1.357 0.998 0 C-N-CA 121.754 1.636 . . . . 10.0 111.11 178.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 22.4 t -64.08 -50.09 78.56 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.127 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.329 179.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 89.3 mt -61.66 -36.06 79.74 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 110.102 -0.333 . . . . 10.0 110.102 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 -66.01 -47.4 74.58 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 109.553 -0.536 . . . . 10.0 109.553 178.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 44.5 m -61.37 -41.1 96.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.791 -0.64 . . . . 10.0 109.98 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -66.04 -35.35 80.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.155 178.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -60.74 -47.42 86.37 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 108.753 -0.832 . . . . 10.0 108.753 178.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 61.6 t -61.48 -44.25 98.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.357 -0.838 . . . . 10.0 110.313 179.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 69.9 m -60.03 -50.68 72.75 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.363 -0.38 . . . . 10.0 110.575 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -61.72 -46.15 90.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.985 -0.552 . . . . 10.0 111.613 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 62.7 mt -57.82 -50.68 72.48 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.745 0.307 . . . . 10.0 111.244 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 4.7 m -66.62 -28.55 68.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.001 0.429 . . . . 10.0 111.387 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -75.26 -57.99 3.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.737 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 84.2 mt -57.38 -41.37 80.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.471 . . . . 10.0 111.952 -179.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -59.06 -52.46 65.67 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.193 -0.458 . . . . 10.0 110.889 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -68.67 -35.79 77.7 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.128 0.418 . . . . 10.0 112.128 -179.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 9.2 m-30 -60.33 -42.59 95.97 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.86 0.362 . . . . 10.0 110.195 179.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 29.4 m -66.09 -31.92 73.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.498 -0.774 . . . . 10.0 110.739 179.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -79.3 -32.88 43.62 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.328 -0.396 . . . . 10.0 111.001 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 8.8 mptt -73.19 -43.69 60.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.07 0.462 . . . . 10.0 110.273 179.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 82.4 mt -98.17 41.51 1.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.421 0.629 . . . . 10.0 109.821 179.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 . . . . . 0 C--N 1.323 -0.578 0 CA-C-N 115.726 -0.67 . . . . 10.0 111.456 -179.131 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 C--O 1.235 0.308 0 CA-C-O 120.932 0.396 . . . . 10.0 111.113 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.16 128.85 34.96 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.919 -179.681 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -91.45 133.94 35.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.513 -0.312 . . . . 10.0 110.658 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -126.74 111.37 14.17 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.748 -0.464 . . . . 10.0 109.748 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 36.9 mttm -78.89 117.63 20.16 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 120.936 0.398 . . . . 10.0 111.119 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 12.6 mt -117.26 123.55 46.86 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.642 -0.708 . . . . 10.0 110.685 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 21.3 t -104.07 120.06 53.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 120.915 0.388 . . . . 10.0 111.335 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 42.7 t -98.24 105.9 17.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.317 -0.623 . . . . 10.0 109.317 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -125.84 169.28 17.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.141 0.496 . . . . 10.0 112.104 -178.488 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 146.65 177.84 21.57 Favored Glycine 0 N--CA 1.444 -0.823 0 CA-C-N 115.057 -0.974 . . . . 10.0 111.03 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.11 159.88 30.08 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.815 0.341 . . . . 10.0 110.931 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.29 139.28 42.39 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.883 0.373 . . . . 10.0 111.376 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 98.34 4.07 57.45 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 121.009 -0.615 . . . . 10.0 113.229 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 34.6 m -85.14 -23.37 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 122.445 -0.444 . . . . 10.0 111.865 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 101.01 48.77 1.42 Allowed Glycine 0 C--O 1.223 -0.58 0 C-N-CA 120.654 -0.784 . . . . 10.0 113.031 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 1.9 mtmp? -83.31 -41.39 18.31 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.293 0.568 . . . . 10.0 109.951 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.57 -39.64 73.78 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.746 -0.661 . . . . 10.0 109.425 179.588 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.95 -53.93 52.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.913 -0.585 . . . . 10.0 109.856 179.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 8.6 mt -52.82 -49.66 65.25 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.094 -0.503 . . . . 10.0 111.841 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 6.8 m -62.99 -47.44 83.13 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.056 -0.52 . . . . 10.0 111.438 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 86.0 mt -63.82 -36.34 76.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.386 -0.37 . . . . 10.0 111.592 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -63.88 -26.64 68.7 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.566 -0.288 . . . . 10.0 111.382 179.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 4.4 tp -94.55 -37.43 11.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.867 0.365 . . . . 10.0 111.155 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 47.8 mm -77.85 -51.79 17.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 112.299 0.481 . . . . 10.0 112.299 -179.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -97.89 -8.17 28.76 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.056 0.391 . . . . 10.0 112.056 -178.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 70.86 10.44 6.99 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 113.785 1.031 . . . . 10.0 113.785 178.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -130.03 168.55 16.55 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.578 0.585 . . . . 10.0 112.578 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -103.88 140.24 37.96 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.514 -179.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -92.89 123.64 45.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 109.867 -0.42 . . . . 10.0 109.867 179.122 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.05 8.8 27.89 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.091 0.472 . . . . 10.0 111.374 -178.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -128.0 162.57 26.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.35 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -102.36 119.94 39.65 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.861 -0.422 . . . . 10.0 109.861 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -120.52 102.07 45.55 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 116.233 -0.439 . . . . 10.0 110.626 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -55.23 118.1 4.79 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.952 2.434 . . . . 10.0 111.16 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.01 117.93 35.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.568 -0.287 . . . . 10.0 111.41 -178.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 33.9 mm -72.43 -57.0 8.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 108.672 -0.862 . . . . 10.0 108.672 178.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -168.12 102.15 0.45 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.462 -0.79 . . . . 10.0 109.791 178.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -107.9 171.87 7.16 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.371 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 19.1 m -147.6 131.02 16.66 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.762 0.315 . . . . 10.0 110.474 -179.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -134.52 143.2 47.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.347 -0.388 . . . . 10.0 110.241 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -116.15 126.2 53.35 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.98 0.419 . . . . 10.0 110.914 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 46.2 tptt -124.62 128.86 49.52 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.068 -0.515 . . . . 10.0 110.035 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -106.61 100.37 9.89 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.888 0.375 . . . . 10.0 110.123 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 3.5 m -124.59 158.3 31.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.158 -0.474 . . . . 10.0 111.007 -179.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 3.0 m -94.76 61.37 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.046 0.45 . . . . 10.0 111.917 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 69.3 mt -67.15 125.89 25.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.856 0.36 . . . . 10.0 111.016 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 66.13 16.77 10.57 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.509 -0.769 . . . . 10.0 112.141 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.85 -12.7 68.28 Favored Glycine 0 C--O 1.229 -0.207 0 C-N-CA 120.996 -0.621 . . . . 10.0 113.04 179.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -103.11 132.79 49.11 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 122.67 -0.312 . . . . 10.0 110.653 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 1.1 m -69.12 116.45 9.57 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.99 -0.745 . . . . 10.0 108.99 178.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -123.88 146.28 48.53 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.201 0.524 . . . . 10.0 112.047 -178.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 25.2 tp -103.31 109.12 20.62 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.425 -0.807 . . . . 10.0 108.984 178.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 17.2 mt -82.39 121.95 27.37 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.926 -0.579 . . . . 10.0 111.392 -178.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -102.07 83.48 2.36 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.86 -1.163 . . . . 10.0 107.86 178.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 15.7 mt -85.62 139.41 17.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 112.829 0.678 . . . . 10.0 112.829 -177.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 4.6 tp -131.23 118.85 20.99 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 116.024 -0.534 . . . . 10.0 111.048 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -102.75 90.92 3.96 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 120.922 0.391 . . . . 10.0 110.22 178.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.01 164.25 16.59 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.965 -0.561 . . . . 10.0 111.121 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.51 137.85 42.75 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.189 0.518 . . . . 10.0 111.848 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -111.57 48.69 0.91 Allowed Glycine 0 N--CA 1.447 -0.575 0 N-CA-C 110.77 -0.932 . . . . 10.0 110.77 179.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -107.29 15.29 25.18 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.749 0.309 . . . . 10.0 111.434 -179.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 63.48 -173.6 0.16 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.593 -0.73 . . . . 10.0 111.937 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 68.18 3.66 3.76 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 116.044 -0.526 . . . . 10.0 112.189 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -100.6 39.57 1.36 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.418 -0.355 . . . . 10.0 110.562 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 1.5 m -61.29 -34.34 75.05 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.584 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.44 -35.55 30.47 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.993 0.425 . . . . 10.0 110.945 179.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 28.2 ttt -74.0 -40.16 63.13 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.277 -0.419 . . . . 10.0 111.983 -179.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -54.67 -40.68 69.34 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.277 0.473 . . . . 10.0 112.277 -179.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.21 -25.24 65.46 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.131 -0.486 . . . . 10.0 112.259 -178.611 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -69.33 -64.71 0.82 Allowed 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.202 -0.454 . . . . 10.0 111.638 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 13.4 p90 -70.98 -21.3 62.33 Favored 'General case' 0 CA--C 1.529 0.157 0 N-CA-C 112.968 0.729 . . . . 10.0 112.968 -178.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 30.6 mtt -67.95 -25.61 65.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.25 0.548 . . . . 10.0 111.289 179.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -85.94 -36.64 19.73 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.663 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 1.4 m -78.67 -41.25 31.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 10.0 111.955 -179.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -66.0 137.81 36.47 Favored Glycine 0 C--O 1.236 0.265 0 C-N-CA 120.924 -0.655 . . . . 10.0 113.156 -178.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -96.73 -47.37 5.91 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.811 0.339 . . . . 10.0 110.212 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -106.16 129.5 9.78 Favored Glycine 0 N--CA 1.445 -0.719 0 N-CA-C 111.146 -0.781 . . . . 10.0 111.146 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -111.04 126.26 54.61 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.141 0.496 . . . . 10.0 111.587 -179.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 12.1 tp -98.74 114.07 26.43 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.68 -0.691 . . . . 10.0 110.184 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 1.9 m -88.85 90.79 8.56 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.728 -0.669 . . . . 10.0 109.572 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 4.1 t -91.42 132.63 35.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.573 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 21.1 p90 -146.29 157.0 43.76 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 116.141 -0.482 . . . . 10.0 110.403 178.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -96.0 132.38 41.4 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 109.433 -0.58 . . . . 10.0 109.433 179.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 17.4 pt -72.65 1.78 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.047 0.451 . . . . 10.0 111.635 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 33.9 p-10 -125.78 17.99 7.99 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.219 179.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -137.53 112.26 8.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.932 -0.576 . . . . 10.0 109.713 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.11 -37.98 87.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.945 -0.571 . . . . 10.0 112.525 -179.005 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -56.29 -45.51 80.18 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.641 -0.254 . . . . 10.0 110.725 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 1.4 m -65.67 -36.97 85.17 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.88 0.326 . . . . 10.0 111.88 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -67.46 -45.16 76.76 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.788 0.328 . . . . 10.0 111.451 -179.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -75.61 -28.09 58.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.215 -0.448 . . . . 10.0 111.598 -179.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.12 -23.02 67.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.667 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 45.4 mm -57.65 -42.05 80.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.092 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 58.2 t60 -63.86 -47.59 80.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.725 -0.671 . . . . 10.0 110.549 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -60.83 -43.22 98.55 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.123 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -64.87 -47.34 78.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.848 -0.615 . . . . 10.0 110.08 178.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 97' ' ' ARG . . . . . 0.433 ' NH1' ' HZ3' ' B' ' 101' ' ' LYS . 2.2 tmt_? -55.76 -45.1 78.16 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.817 -0.629 . . . . 10.0 111.799 -179.165 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -64.56 -35.75 81.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.493 -0.321 . . . . 10.0 111.765 -179.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -71.21 -42.4 69.0 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.939 -0.304 . . . . 10.0 111.304 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 61.5 mt -56.76 -48.91 80.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-O 120.899 0.381 . . . . 10.0 110.731 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 101' ' ' LYS . . . . . 0.433 ' HZ3' ' NH1' ' B' ' 97' ' ' ARG . 34.3 mtmt -64.47 -27.09 68.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.924 -0.58 . . . . 10.0 111.251 -179.594 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 -77.45 -39.47 46.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.666 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 79.3 t -72.86 -45.6 55.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.952 -0.567 . . . . 10.0 111.437 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -84.82 -10.77 56.84 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 111.697 0.258 . . . . 10.0 111.697 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 17.6 t70 53.4 59.42 4.39 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 121.422 0.63 . . . . 10.0 112.228 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 18.1 t -164.67 146.6 8.3 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.487 -0.779 . . . . 10.0 109.956 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -85.96 -19.78 29.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.098 0.475 . . . . 10.0 110.011 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -95.09 106.85 18.88 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.813 -0.631 . . . . 10.0 110.714 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 52.1 t -136.27 127.82 17.04 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.24 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -68.45 101.65 0.76 Allowed 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.841 2.361 . . . . 10.0 110.798 179.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 55.0 mtm -128.21 152.94 47.47 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.685 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 39.0 t -136.62 126.31 38.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.108 -0.496 . . . . 10.0 109.77 179.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 15.8 tp -85.81 119.46 26.16 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 110.033 -0.358 . . . . 10.0 110.033 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 84.9 t -115.34 116.13 51.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 112.406 0.521 . . . . 10.0 112.406 -178.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -102.62 104.59 2.61 Favored Glycine 0 N--CA 1.447 -0.601 0 N-CA-C 110.253 -1.139 . . . . 10.0 110.253 178.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -92.94 167.23 11.95 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.379 0.133 . . . . 10.0 110.971 -178.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 82.5 mttt 65.91 33.96 7.53 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 123.166 0.586 . . . . 10.0 112.224 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 86.5 m -71.78 -9.63 58.58 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 112.307 0.484 . . . . 10.0 112.307 -179.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -91.2 4.04 53.27 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.012 0.434 . . . . 10.0 110.613 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 31.4 mt -91.49 136.97 26.15 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.11 -0.495 . . . . 10.0 110.232 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -77.24 158.11 33.47 Favored 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 122.488 2.126 . . . . 10.0 111.416 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 1.1 m 62.67 69.73 0.59 Allowed 'General case' 0 C--O 1.232 0.177 0 CA-C-O 121.475 0.655 . . . . 10.0 111.288 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -88.06 150.52 23.34 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.709 -0.678 . . . . 10.0 111.168 -179.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 25.3 m -81.97 -61.41 1.92 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.672 179.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 32.3 t -92.9 123.45 45.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.075 0.464 . . . . 10.0 110.656 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.4 153.16 33.94 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.627 -0.715 . . . . 10.0 109.405 179.129 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 2.3 m -54.35 -41.38 69.03 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.183 0.438 . . . . 10.0 112.183 -179.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 12.4 pttt -55.5 -52.47 63.55 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.477 0.547 . . . . 10.0 112.477 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -70.74 -27.7 64.15 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.994 -0.282 . . . . 10.0 111.67 -179.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.89 -44.45 76.97 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 121.488 0.661 . . . . 10.0 109.596 179.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -70.9 -29.35 65.4 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.285 -0.87 . . . . 10.0 109.624 178.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -66.56 -33.84 76.57 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.341 -0.845 . . . . 10.0 109.827 178.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 12.4 tp -78.02 -36.94 48.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.605 -0.725 . . . . 10.0 110.6 179.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.96 -27.91 69.72 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 121.171 0.51 . . . . 10.0 111.108 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -66.06 -40.44 90.92 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.658 -0.701 . . . . 10.0 111.029 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.65 -30.79 71.81 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.071 -0.513 . . . . 10.0 111.316 -179.698 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -86.39 -30.87 21.81 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.432 179.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 85.07 33.79 16.81 Favored Glycine 0 N--CA 1.445 -0.711 0 N-CA-C 110.238 -1.145 . . . . 10.0 110.238 -178.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 37.5 pt -121.14 157.4 55.59 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 115.268 -0.466 . . . . 10.0 110.758 -178.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -82.89 141.49 10.71 Favored 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 122.819 2.346 . . . . 10.0 112.579 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -125.01 137.62 54.24 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.46 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 46.7 mt -143.11 132.49 21.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.507 -0.553 . . . . 10.0 109.507 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -73.69 134.36 43.55 Favored 'General case' 0 CA--C 1.522 -0.132 0 N-CA-C 108.709 -0.848 . . . . 10.0 108.709 178.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 34.5 p -136.66 165.79 25.07 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 113.787 1.032 . . . . 10.0 113.787 -177.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 30.2 t -156.01 101.19 2.08 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 107.45 -1.315 . . . . 10.0 107.45 178.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -65.37 -36.98 85.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.503 -0.317 . . . . 10.0 111.388 -178.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -56.67 -42.47 79.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.002 0.43 . . . . 10.0 110.273 178.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 1.6 m -88.24 -7.16 57.22 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.239 0.543 . . . . 10.0 110.3 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 2.9 ttt-85 59.21 42.8 17.99 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.489 -0.778 . . . . 10.0 111.575 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -122.21 113.22 19.16 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.066 -0.516 . . . . 10.0 111.334 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 110.14 -15.43 30.64 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 121.009 -0.615 . . . . 10.0 112.756 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 3.0 t -54.0 -52.94 31.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-O 120.932 0.396 . . . . 10.0 111.93 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -62.23 -49.22 76.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.943 -0.571 . . . . 10.0 111.571 -179.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -54.7 -47.62 73.47 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.993 -0.548 . . . . 10.0 112.313 -178.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.23 -46.95 88.3 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.251 -0.432 . . . . 10.0 111.551 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -62.76 -43.58 98.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.478 -0.328 . . . . 10.0 111.88 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 17.1 m-30 -62.21 -48.11 81.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.207 -0.451 . . . . 10.0 110.981 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 11.4 m -63.37 -37.89 89.04 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.945 -0.571 . . . . 10.0 112.448 -179.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 44.7 tp -57.87 -48.94 78.37 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.877 0.37 . . . . 10.0 111.089 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 96.6 t -69.44 -38.24 76.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.147 0.498 . . . . 10.0 110.554 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 16.4 ttp180 -63.83 -36.89 85.38 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.755 -0.657 . . . . 10.0 111.179 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -64.85 -33.66 76.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.849 0.356 . . . . 10.0 110.632 179.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 72.8 mt -66.63 -43.45 90.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 108.46 -0.941 . . . . 10.0 108.46 178.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 77.9 mtt180 -62.48 -43.25 99.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.364 -0.834 . . . . 10.0 109.592 179.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 13.1 ttmt . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 115.826 -0.624 . . . . 10.0 109.845 178.731 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.934 0.397 . . . . 10.0 110.792 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -80.32 123.11 27.71 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.213 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -98.96 132.73 44.06 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.691 0.281 . . . . 10.0 110.647 -179.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -122.72 115.19 21.65 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.332 -0.395 . . . . 10.0 110.283 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -90.05 100.34 13.18 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.108 0.48 . . . . 10.0 110.445 -179.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 17.4 mt -103.47 136.65 42.82 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.55 -0.75 . . . . 10.0 111.144 -178.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 14.3 t -116.93 129.23 73.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.235 -0.438 . . . . 10.0 109.887 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 14.2 t -92.67 102.37 13.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.398 -0.593 . . . . 10.0 109.398 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 17.6 m -104.71 153.52 6.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.614 -178.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 153.7 -170.34 32.42 Favored Glycine 0 N--CA 1.445 -0.704 0 N-CA-C 111.389 -0.684 . . . . 10.0 111.389 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.91 -178.34 6.95 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.799 0.333 . . . . 10.0 110.483 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.37 141.28 33.44 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.272 0.558 . . . . 10.0 111.044 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.52 5.34 75.32 Favored Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.704 -0.68 . . . . 10.0 112.375 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 35.4 m -84.67 -21.46 8.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.696 0.284 . . . . 10.0 111.102 -179.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.05 27.69 5.55 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.528 -0.844 . . . . 10.0 113.773 178.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 9.8 mtmt -65.35 -34.69 78.92 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.34 0.59 . . . . 10.0 110.462 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 2.1 m -74.77 -47.03 33.21 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.489 -0.778 . . . . 10.0 109.436 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.36 -46.58 69.62 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.866 -0.606 . . . . 10.0 111.156 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 74.2 mt -59.69 -46.77 88.06 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.262 -0.427 . . . . 10.0 111.386 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 16.9 m -66.44 -40.97 89.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.086 -0.507 . . . . 10.0 111.242 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.14 -35.23 70.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.884 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -68.86 -16.39 63.75 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.837 0.351 . . . . 10.0 111.279 179.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 12.8 tp -92.7 -36.34 12.99 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.147 0.498 . . . . 10.0 110.297 179.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 36.3 mm -90.29 -71.71 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.285 -0.416 . . . . 10.0 111.527 -179.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -72.65 -28.23 62.6 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.529 -0.305 . . . . 10.0 111.268 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 70.09 34.38 2.45 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.617 -0.72 . . . . 10.0 112.227 178.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -137.81 149.1 46.08 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.429 -0.351 . . . . 10.0 111.252 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -89.48 124.39 34.45 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.241 -0.436 . . . . 10.0 110.35 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 17.3 m -83.1 166.05 2.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.246 -0.434 . . . . 10.0 110.915 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -122.25 -46.6 2.17 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.133 -0.485 . . . . 10.0 111.109 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -85.63 139.93 31.0 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.916 -0.584 . . . . 10.0 111.363 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -72.03 129.51 38.7 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.66 -0.7 . . . . 10.0 111.106 -179.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -127.07 101.59 25.53 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.16 -0.473 . . . . 10.0 109.76 179.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_exo -53.85 122.52 11.52 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 123.17 2.58 . . . . 10.0 112.779 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 3.5 m -96.18 109.68 22.09 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.101 -0.5 . . . . 10.0 110.512 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 46.1 mm -81.19 -50.81 16.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.068 0.461 . . . . 10.0 109.784 179.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -172.66 94.95 0.13 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.119 -0.697 . . . . 10.0 109.119 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.43 139.19 52.49 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.679 0.276 . . . . 10.0 111.022 -179.313 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.44 139.94 50.63 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.209 -0.45 . . . . 10.0 111.161 -179.255 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -129.67 141.36 50.93 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.431 -0.581 . . . . 10.0 109.431 -179.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -120.41 145.78 46.85 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 121.237 -0.185 . . . . 10.0 111.237 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 38.0 tttp -157.73 138.12 12.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.625 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -98.9 123.57 43.25 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.294 -0.632 . . . . 10.0 109.294 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 4.6 m -127.65 -177.29 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 120.937 0.399 . . . . 10.0 111.845 -179.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 10.6 t -115.32 88.8 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.933 -0.576 . . . . 10.0 109.842 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 24.9 mm -85.31 106.86 15.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.41 -0.359 . . . . 10.0 111.498 -178.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 63.78 17.43 10.48 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 115.621 -0.718 . . . . 10.0 111.972 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.69 -13.54 38.69 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.36 -0.924 . . . . 10.0 112.734 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -98.04 145.38 26.58 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.916 0.388 . . . . 10.0 111.324 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 5.5 m -74.37 123.73 25.17 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.805 -0.634 . . . . 10.0 109.594 178.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 10.9 m -138.54 144.07 39.75 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.116 0.484 . . . . 10.0 111.876 -179.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 46.4 tp -107.47 127.82 53.95 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.659 -0.701 . . . . 10.0 109.297 178.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 47.3 mt -102.22 119.83 39.46 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 112.642 0.608 . . . . 10.0 112.642 -178.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -102.51 88.77 3.34 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 107.248 -1.389 . . . . 10.0 107.248 177.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 54.6 mt -99.32 134.3 38.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.904 -0.589 . . . . 10.0 112.326 -177.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 6.8 tt -129.49 124.49 34.1 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.607 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -98.17 131.88 44.16 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.988 -0.375 . . . . 10.0 109.988 179.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.65 172.56 6.85 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.418 -0.355 . . . . 10.0 110.873 179.668 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.82 141.23 29.79 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.949 0.404 . . . . 10.0 110.979 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -111.63 37.01 3.88 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.841 -0.695 . . . . 10.0 111.55 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -100.52 16.31 25.09 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.844 0.354 . . . . 10.0 111.21 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 63.1 -175.17 0.15 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.578 -0.737 . . . . 10.0 111.77 -179.458 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 70.98 23.79 4.17 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.39 0.614 . . . . 10.0 110.349 -179.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -124.33 26.97 7.19 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.464 -0.789 . . . . 10.0 110.508 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.89 -27.58 66.83 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.776 -179.503 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -82.28 -49.98 9.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.903 0.382 . . . . 10.0 111.61 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 22.8 ttp -72.64 -9.24 58.37 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.985 -0.552 . . . . 10.0 112.267 -178.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -49.97 75.89 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.054 -0.521 . . . . 10.0 111.083 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.74 -34.72 67.81 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.787 -0.642 . . . . 10.0 112.141 -179.278 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -52.39 -56.2 16.58 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 112.739 0.644 . . . . 10.0 112.739 -179.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 71' ' ' TYR . . . . . . . . . . . . . 42.5 p90 -86.82 -16.64 35.57 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.675 0.62 . . . . 10.0 112.675 -178.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 39.8 mtt -77.69 -37.74 48.99 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.997 0.427 . . . . 10.0 111.515 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 39.4 ttm105 -71.86 -29.29 64.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.311 -0.404 . . . . 10.0 110.809 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -98.3 8.18 45.19 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.536 -179.286 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -95.3 131.07 10.54 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.522 -0.847 . . . . 10.0 112.499 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -95.57 -36.86 11.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.174 0.511 . . . . 10.0 110.476 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -133.11 129.93 5.59 Favored Glycine 0 N--CA 1.45 -0.384 0 N-CA-C 110.592 -1.003 . . . . 10.0 110.592 179.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 78' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -112.9 120.68 42.24 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 112.49 0.552 . . . . 10.0 112.49 -178.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 25.0 tp -96.87 110.28 22.81 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.769 -0.65 . . . . 10.0 109.44 179.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 28.7 m -88.03 103.82 16.07 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.707 -0.479 . . . . 10.0 109.707 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 64.5 t -104.46 127.35 58.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.882 -0.599 . . . . 10.0 111.325 -179.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 27.5 p90 -132.65 165.83 23.56 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.964 -0.562 . . . . 10.0 109.516 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -103.65 128.76 50.92 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 110.04 -0.356 . . . . 10.0 110.04 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 84' ' ' ILE . . . . . . . . . . . . . 2.3 pt -65.59 -20.02 26.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.052 0.453 . . . . 10.0 111.275 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 21.2 p-10 -98.36 12.28 35.39 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.921 -0.581 . . . . 10.0 111.022 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -143.88 97.07 3.0 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.826 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.42 -28.23 68.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.872 -0.604 . . . . 10.0 112.253 -179.389 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -52.42 -52.09 55.71 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.251 -0.431 . . . . 10.0 111.103 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 35.7 p -63.46 -34.09 76.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.159 -0.473 . . . . 10.0 111.896 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -62.99 -41.64 99.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.774 0.321 . . . . 10.0 110.707 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -74.75 -34.15 62.46 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.736 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.35 -28.09 66.52 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.622 -0.717 . . . . 10.0 111.403 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 47.5 mm -54.94 -44.79 74.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.957 -0.565 . . . . 10.0 111.462 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -59.47 -44.6 92.97 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.122 0.487 . . . . 10.0 110.592 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 84.7 m-70 -60.54 -38.96 86.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.745 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -74.7 -40.27 61.45 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.014 -0.539 . . . . 10.0 111.123 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 9.7 ttt180 -58.22 -49.4 77.19 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.874 0.369 . . . . 10.0 110.731 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -65.71 -33.56 76.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.56 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -66.04 -48.89 69.58 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.903 -0.589 . . . . 10.0 110.499 179.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 73.8 mt -55.59 -46.47 79.16 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.74 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 14.5 mtmt -67.06 -27.14 67.14 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.893 -0.594 . . . . 10.0 111.307 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 9.0 tmm_? -76.62 -36.37 57.48 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.961 0.41 . . . . 10.0 110.286 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 60.7 t -74.35 -44.06 48.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 10.0 111.04 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 30.5 mtpp -86.15 -10.2 55.23 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 111.964 0.357 . . . . 10.0 111.964 -178.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 3.7 t70 54.47 52.27 12.67 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.618 0.723 . . . . 10.0 111.499 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 57.2 m -158.15 138.55 12.65 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.58 -0.736 . . . . 10.0 109.619 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 36.8 tp10 -80.8 -32.12 35.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.174 0.511 . . . . 10.0 110.572 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.33 98.09 11.5 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.991 -0.549 . . . . 10.0 111.093 -179.754 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 56.3 t -128.39 129.94 23.57 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 116.07 -0.514 . . . . 10.0 110.126 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -60.31 111.17 0.93 Allowed 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.721 2.281 . . . . 10.0 111.124 179.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 111' ' ' MET . . . . . . . . . . . . . 63.8 mtm -143.39 153.68 42.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.426 -179.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 74.7 t -136.69 135.97 48.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 109.334 -0.617 . . . . 10.0 109.334 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 22.2 tp -97.09 116.05 28.59 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 109.432 -0.581 . . . . 10.0 109.432 179.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 41.2 t -123.27 127.46 74.43 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-O 120.967 0.413 . . . . 10.0 111.36 -178.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -96.94 131.8 10.75 Favored Glycine 0 N--CA 1.442 -0.932 0 N-CA-C 110.229 -1.148 . . . . 10.0 110.229 178.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -108.31 162.3 14.22 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.943 0.371 . . . . 10.0 110.889 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 90.8 mttt 62.75 27.53 16.13 Favored 'General case' 0 N--CA 1.46 0.071 0 O-C-N 123.737 0.648 . . . . 10.0 111.569 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 118' ' ' CYS . . . . . . . . . . . . . 71.2 m -65.16 -9.3 21.97 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 113.318 0.859 . . . . 10.0 113.318 -179.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 119' ' ' ASP . . . . . 0.44 ' CG ' ' HZ1' ' C' ' 147' ' ' LYS . 1.1 p-10 -95.02 2.61 55.33 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.737 0.304 . . . . 10.0 111.38 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 30.1 mt -84.67 136.06 39.83 Favored Pre-proline 0 C--N 1.327 -0.388 0 C-N-CA 121.006 -0.278 . . . . 10.0 110.634 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -67.01 144.13 68.66 Favored 'Trans proline' 0 C--O 1.235 0.342 0 C-N-CA 123.068 2.512 . . . . 10.0 112.381 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 7.1 m 66.42 88.2 0.11 Allowed 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.646 -0.706 . . . . 10.0 111.97 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -97.67 143.86 27.9 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.969 -0.559 . . . . 10.0 111.182 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.71 -37.24 13.84 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.178 0.513 . . . . 10.0 110.172 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 59.2 t -89.89 126.19 42.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.569 -0.741 . . . . 10.0 109.53 179.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -80.45 143.3 33.51 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.371 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.23 -50.65 72.82 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.321 -0.399 . . . . 10.0 110.918 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.19 -40.24 77.0 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 113.072 0.767 . . . . 10.0 113.072 -179.381 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -68.7 -38.68 80.45 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 120.495 -0.482 . . . . 10.0 111.186 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -70.89 -36.9 72.94 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 121.024 0.44 . . . . 10.0 110.014 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -65.25 -46.28 81.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.718 -0.674 . . . . 10.0 110.597 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -65.54 -37.54 87.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 10.0 111.04 179.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 22.6 tp -60.45 -49.04 79.14 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.209 -0.45 . . . . 10.0 109.926 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.04 -38.92 93.1 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.009 179.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? -63.26 -42.55 99.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.595 -0.729 . . . . 10.0 110.134 179.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 7.4 t -61.28 -35.3 76.94 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.056 -0.52 . . . . 10.0 111.585 -179.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -86.67 -33.07 20.19 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.265 0.469 . . . . 10.0 112.265 -179.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 102.99 29.25 5.86 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.819 -0.705 . . . . 10.0 112.549 179.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 36.0 pt -120.09 148.46 46.99 Favored Pre-proline 0 C--N 1.32 -0.708 0 N-CA-C 110.084 -0.339 . . . . 10.0 110.084 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -70.82 141.58 41.23 Favored 'Trans proline' 0 C--O 1.234 0.302 0 C-N-CA 122.894 2.396 . . . . 10.0 111.595 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -116.92 127.41 54.21 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.369 -0.378 . . . . 10.0 110.336 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 47.5 mt -129.63 133.82 64.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 116.278 -0.419 . . . . 10.0 111.396 -179.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.22 124.21 41.23 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 108.646 -0.872 . . . . 10.0 108.646 178.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 14.8 p -143.39 -177.39 5.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.707 0.765 . . . . 10.0 112.945 -178.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 26.0 t -150.96 125.74 9.7 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.022 -1.103 . . . . 10.0 108.022 178.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -71.99 -20.89 61.65 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.15 0.5 . . . . 10.0 110.381 -179.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 147' ' ' LYS . . . . . 0.44 ' HZ1' ' CG ' ' C' ' 119' ' ' ASP . 5.6 ttpm? -73.83 -46.98 41.76 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.718 -0.674 . . . . 10.0 110.861 179.454 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 7.9 p -81.8 -23.93 36.25 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.912 -0.315 . . . . 10.0 110.7 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 69.32 7.32 6.17 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 123.648 0.779 . . . . 10.0 112.48 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -80.46 126.41 31.17 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.966 -0.561 . . . . 10.0 111.002 -179.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 90.09 -15.23 60.06 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 121.081 -0.581 . . . . 10.0 112.853 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 92.4 t -57.11 -43.44 81.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-O 121.148 0.499 . . . . 10.0 111.402 -179.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -65.46 -45.42 83.82 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.296 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -63.62 -36.39 83.66 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.073 -0.512 . . . . 10.0 111.605 -179.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -59.15 -53.37 59.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.308 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -64.91 -37.41 87.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.13 -0.487 . . . . 10.0 110.765 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -60.21 -45.71 92.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.027 0.442 . . . . 10.0 110.653 179.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 30.3 m -62.87 -37.77 88.22 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.543 179.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 23.3 tp -59.4 -39.44 83.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.073 0.463 . . . . 10.0 110.015 179.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 98.3 t -68.08 -40.84 83.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.858 179.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.33 -34.42 78.11 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.337 0.495 . . . . 10.0 112.337 -179.205 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -59.78 -37.38 78.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.869 0.366 . . . . 10.0 110.864 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 65.6 mt -66.32 -40.97 88.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 109.648 -0.501 . . . . 10.0 109.648 178.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -65.18 -40.08 93.76 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.882 -0.599 . . . . 10.0 109.896 179.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -64.53 -48.37 75.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.467 -0.788 . . . . 10.0 110.09 179.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -57.8 -46.76 84.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.706 -0.679 . . . . 10.0 110.852 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 97.6 mttt . . . . . 0 C--N 1.326 -0.437 0 N-CA-C 112.243 0.46 . . . . 10.0 112.243 -179.422 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 8.4 tmtm? . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.772 0.32 . . . . 10.0 111.133 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 96.0 mt -71.57 -23.92 61.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.434 . . . . 10.0 111.409 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 73.5 mt -79.03 -50.26 11.36 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.886 0.374 . . . . 10.0 111.19 -179.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -63.47 -45.65 89.82 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.87 -0.604 . . . . 10.0 111.169 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -62.68 -31.3 72.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.846 -0.615 . . . . 10.0 110.664 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 24.5 t90 -67.81 -35.57 78.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.764 -0.653 . . . . 10.0 110.226 179.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -63.62 -38.28 90.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.909 0.385 . . . . 10.0 110.128 179.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 1.6 m -63.28 -42.99 99.16 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.003 -0.544 . . . . 10.0 109.638 178.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 61.7 t -67.01 -39.25 82.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 109.275 -0.639 . . . . 10.0 109.275 178.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 84.8 m -61.39 -46.91 88.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.746 -0.661 . . . . 10.0 110.63 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.6 -30.99 72.01 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.062 0.458 . . . . 10.0 110.375 179.628 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 47.3 m -65.82 -42.41 90.64 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 108.449 -0.945 . . . . 10.0 108.449 177.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -68.1 -35.25 77.86 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.496 -0.775 . . . . 10.0 110.193 179.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 13.7 m -62.35 -49.9 73.74 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.447 -0.575 . . . . 10.0 109.447 178.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 28.3 mmtp -64.23 -33.93 76.93 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.121 179.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 20.5 mt -65.01 -46.02 83.12 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.274 178.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 82.1 mtt180 -62.92 -33.41 75.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.091 0.472 . . . . 10.0 110.187 179.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -68.78 -39.45 80.16 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.533 -0.758 . . . . 10.0 110.21 178.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -75.82 -33.16 60.07 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.243 179.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 24.8 mt -52.99 -34.58 56.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.761 -0.654 . . . . 10.0 111.105 179.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -57.87 -70.56 0.95 Allowed Glycine 0 C--N 1.334 0.428 0 N-CA-C 111.274 -0.731 . . . . 10.0 111.274 178.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -53.54 -40.96 77.06 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.508 2.139 . . . . 10.0 111.544 178.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 21.2 t -55.86 -52.86 44.38 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.156 0 CA-C-N 116.619 -0.264 . . . . 10.0 111.494 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 7.7 p -64.17 -38.76 92.22 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.73 -0.388 . . . . 10.0 110.797 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -60.08 -51.19 70.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.35 -0.386 . . . . 10.0 110.457 179.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -65.78 -42.86 90.28 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.343 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.72 -51.91 67.74 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.048 -0.524 . . . . 10.0 110.798 179.452 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 19.9 m95 -64.82 -37.83 88.94 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 116.423 -0.353 . . . . 10.0 111.265 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -61.43 -50.42 72.89 Favored 'General case' 0 C--N 1.333 -0.117 0 N-CA-C 109.663 -0.495 . . . . 10.0 109.663 178.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -66.12 -39.11 89.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.358 179.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 11.5 mt -62.45 -38.43 89.73 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.711 -0.477 . . . . 10.0 109.711 178.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -68.54 -25.77 65.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.729 178.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 69.7 mttt -71.94 -40.45 68.73 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.053 -1.091 . . . . 10.0 108.053 177.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -69.24 -45.08 70.65 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 114.98 -1.009 . . . . 10.0 110.09 179.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 18.4 p -65.0 -40.04 94.35 Favored 'General case' 0 C--O 1.223 -0.323 0 N-CA-C 109.568 -0.53 . . . . 10.0 109.568 178.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -58.89 -43.93 91.06 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 109.222 -0.659 . . . . 10.0 109.222 178.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -63.53 -45.49 94.62 Favored Glycine 0 N--CA 1.444 -0.783 0 N-CA-C 110.304 -1.118 . . . . 10.0 110.304 178.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 72.8 mt -63.48 -26.09 68.56 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.722 0.296 . . . . 10.0 110.684 179.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 60.6 mtt180 -72.67 -40.0 66.65 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.125 -0.694 . . . . 10.0 109.125 178.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -68.92 -43.68 74.65 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.229 -1.026 . . . . 10.0 108.229 177.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -69.14 -21.47 64.01 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.194 -0.912 . . . . 10.0 110.995 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 49.9 ttm -64.41 -38.69 91.9 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.198 0.523 . . . . 10.0 109.615 178.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 2.1 m -76.61 7.14 4.86 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.39 -0.823 . . . . 10.0 110.044 179.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -120.97 -58.84 1.78 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.36 -0.607 . . . . 10.0 109.36 178.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 246' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -56.27 -54.34 46.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 10.0 111.245 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . 63.1 mt -77.46 -45.44 25.7 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.845 0.683 . . . . 10.0 112.845 -178.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -61.01 -49.44 77.41 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.366 0.506 . . . . 10.0 112.366 -179.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -67.6 -37.91 83.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.416 -0.357 . . . . 10.0 110.701 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 250' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -67.45 -28.07 40.85 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.343 0 C-N-CA 120.428 -0.509 . . . . 10.0 110.79 179.551 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 56.1 mttt -78.08 -40.87 37.17 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 109.917 -0.401 . . . . 10.0 109.917 178.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -68.77 -36.64 78.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.798 -0.637 . . . . 10.0 109.958 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -83.83 -25.48 30.32 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.698 -0.683 . . . . 10.0 112.167 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 254' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -62.71 -26.37 40.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.9 0.381 . . . . 10.0 110.616 179.561 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -61.78 -63.22 4.52 Favored Pre-proline 0 N--CA 1.452 -0.374 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.438 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -66.92 -32.08 36.49 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 121.799 1.666 . . . . 10.0 111.751 178.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 4.6 m-30 -61.87 -55.87 25.21 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.868 0.366 . . . . 10.0 110.461 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 43.2 mt -68.18 -31.97 71.89 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 115.954 -0.567 . . . . 10.0 111.027 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -67.33 -44.94 77.86 Favored 'General case' 0 C--O 1.224 -0.274 0 N-CA-C 110.124 -0.325 . . . . 10.0 110.124 179.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -61.51 -48.29 81.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.016 -0.538 . . . . 10.0 109.786 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -65.04 -40.61 95.04 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 115.876 -0.602 . . . . 10.0 111.16 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -66.51 -42.29 87.55 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.775 -0.454 . . . . 10.0 109.775 179.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -56.55 -53.4 58.04 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.126 -0.694 . . . . 10.0 109.126 178.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 264' ' ' LYS . . . . . . . . . . . . . 75.2 mttt -66.62 -35.61 80.6 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.49 -0.777 . . . . 10.0 111.125 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -62.37 -43.77 98.03 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 120.978 0.418 . . . . 10.0 110.39 179.417 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -61.59 -41.29 97.21 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.364 -0.606 . . . . 10.0 109.364 178.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -66.19 -36.64 83.61 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.682 -0.69 . . . . 10.0 109.835 178.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -63.15 -46.19 88.34 Favored 'General case' 0 CA--C 1.519 -0.217 0 N-CA-C 108.385 -0.969 . . . . 10.0 108.385 177.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 87.8 mmm -61.73 -38.8 89.27 Favored 'General case' 0 C--O 1.225 -0.21 0 CA-C-N 115.705 -0.679 . . . . 10.0 109.832 178.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -63.55 -43.27 97.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.151 -0.477 . . . . 10.0 109.8 178.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 88.6 mt -66.06 -36.38 83.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.768 -0.651 . . . . 10.0 109.693 178.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -68.06 -41.12 82.46 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.455 -0.572 . . . . 10.0 109.455 178.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 63.2 mtt180 -63.28 -45.86 89.52 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 115.921 -0.582 . . . . 10.0 110.916 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -72.48 -8.01 52.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.367 -0.379 . . . . 10.0 111.927 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 275' ' ' LYS . . . . . . . . . . . . . 9.9 mptt -104.57 -45.95 4.49 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.504 -0.317 . . . . 10.0 110.965 179.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 8.6 p -54.98 -33.48 29.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 112.676 0.621 . . . . 10.0 112.676 -179.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -66.94 -61.55 4.76 Favored Pre-proline 0 C--N 1.329 -0.3 0 C-N-CA 120.841 -0.344 . . . . 10.0 111.915 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -66.0 -37.66 25.43 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 121.882 1.721 . . . . 10.0 112.172 178.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 22.8 mt -62.96 -40.36 97.46 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 121.027 -0.269 . . . . 10.0 110.692 179.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 37.3 ttm180 -66.41 -32.97 74.69 Favored 'General case' 0 C--N 1.334 -0.085 0 N-CA-C 109.406 -0.591 . . . . 10.0 109.406 178.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -66.0 -49.2 68.61 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.009 -0.737 . . . . 10.0 109.009 178.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -60.0 -45.28 93.28 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.686 -0.688 . . . . 10.0 109.444 178.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 20.9 mt -60.36 -44.41 95.6 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 115.654 -0.703 . . . . 10.0 110.674 179.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -65.5 -47.44 75.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.682 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -59.91 -48.01 83.44 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.757 -0.46 . . . . 10.0 109.757 179.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -62.46 -46.02 94.69 Favored Glycine 0 N--CA 1.441 -1.033 0 N-CA-C 111.337 -0.705 . . . . 10.0 111.337 179.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -60.46 -44.22 96.08 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 110.559 -0.163 . . . . 10.0 110.559 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 81.4 mtt180 -57.09 -50.4 72.89 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 123.389 0.431 . . . . 10.0 110.11 179.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -64.59 -46.52 82.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.962 -0.563 . . . . 10.0 111.475 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 73.5 mttt -63.09 -43.97 97.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.421 -0.354 . . . . 10.0 110.99 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 87.8 mt -67.98 -33.67 75.07 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.441 -0.345 . . . . 10.0 110.834 179.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -68.17 -41.62 81.21 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.024 -0.732 . . . . 10.0 109.024 178.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.02 -31.83 73.16 Favored 'General case' 0 N--CA 1.457 -0.08 0 N-CA-C 109.152 -0.685 . . . . 10.0 109.152 178.563 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 73.4 mt -70.0 -41.44 74.36 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.016 -0.735 . . . . 10.0 109.016 177.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -63.12 -31.36 72.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.801 -0.636 . . . . 10.0 109.695 178.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 48.2 mm-40 -65.3 -11.1 38.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.548 -0.751 . . . . 10.0 110.663 178.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 5.6 mmtp -117.69 -39.46 3.13 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.321 -0.399 . . . . 10.0 110.297 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 81.5 mt -61.42 -30.9 70.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.26 -0.427 . . . . 10.0 111.833 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 299' ' ' SER . . . . . . . . . . . . . 19.7 m -79.87 -63.56 0.36 Allowed Pre-proline 0 CA--C 1.542 0.643 0 N-CA-C 113.017 0.747 . . . . 10.0 113.017 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 300' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -68.32 -53.8 0.35 Allowed 'Trans proline' 0 C--N 1.355 0.874 0 C-N-CA 121.914 1.743 . . . . 10.0 112.563 -179.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 79.6 mt -65.93 -30.52 71.11 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.788 0.327 . . . . 10.0 110.162 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -66.01 -44.0 92.39 Favored Glycine 0 N--CA 1.445 -0.731 0 N-CA-C 110.243 -1.143 . . . . 10.0 110.243 178.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -68.08 -41.74 81.45 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.434 -0.58 . . . . 10.0 109.434 178.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -60.93 -39.17 88.42 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.761 -0.654 . . . . 10.0 109.748 178.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 13.5 tpt -62.62 -34.81 77.78 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.758 -0.655 . . . . 10.0 109.964 179.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 91.3 mtt180 -69.83 -43.43 71.99 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 121.146 0.498 . . . . 10.0 109.689 179.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -60.95 -47.28 87.16 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.785 -0.643 . . . . 10.0 109.547 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -69.92 -26.72 64.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.787 178.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -69.19 -39.22 78.79 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 108.769 -0.826 . . . . 10.0 108.769 178.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 310' ' ' ARG . . . . . . . . . . . . . 80.4 mtt180 -59.24 -46.36 88.71 Favored 'General case' 0 CA--C 1.516 -0.327 0 N-CA-C 108.641 -0.874 . . . . 10.0 108.641 177.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -66.39 -41.03 89.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.622 -0.717 . . . . 10.0 110.108 179.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.68 -51.95 66.81 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.016 178.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 58.6 t -73.35 -35.1 45.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.581 -0.736 . . . . 10.0 111.78 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -61.63 -46.76 88.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.665 0.269 . . . . 10.0 110.559 179.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -62.31 -35.95 80.63 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.172 -0.677 . . . . 10.0 109.172 178.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 29.4 mt -67.83 -45.72 73.87 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.456 178.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 9.1 mtm105 -59.88 -51.86 67.92 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.982 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 1.9 m -63.37 -23.15 67.28 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.076 -0.511 . . . . 10.0 111.754 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 2.6 m80 -91.4 -44.63 9.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.745 0.307 . . . . 10.0 111.665 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 93.7 mt -71.87 -25.68 62.05 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.432 0.531 . . . . 10.0 112.432 -179.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -58.06 -58.21 20.34 Favored Pre-proline 0 CA--C 1.538 0.488 0 N-CA-C 111.442 0.164 . . . . 10.0 111.442 179.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -68.2 -27.43 35.1 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 121.616 1.544 . . . . 10.0 110.545 178.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 11.6 m-30 -65.73 -43.96 87.48 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.402 179.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 3.0 p -70.83 -31.44 68.17 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 109.257 -0.646 . . . . 10.0 109.257 178.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -62.16 -44.65 96.15 Favored 'General case' 0 N--CA 1.462 0.167 0 N-CA-C 108.633 -0.877 . . . . 10.0 108.633 177.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -70.0 -35.22 74.21 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-N 115.525 -0.761 . . . . 10.0 109.205 178.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 13.7 mt -61.54 -39.07 89.76 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.223 178.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 70.6 mtt180 -59.99 -43.68 95.01 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.267 -0.642 . . . . 10.0 109.267 178.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -69.26 -40.92 77.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.564 -0.743 . . . . 10.0 110.23 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 27.6 mtt-85 -62.03 -47.74 83.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.404 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 40.6 mt -60.67 -41.89 95.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.934 -0.575 . . . . 10.0 110.099 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -63.22 -50.48 70.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.152 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -57.95 -46.75 84.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.888 179.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 73.8 mtt-85 -62.91 -47.61 82.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.422 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 50.0 mt -61.0 -41.21 96.09 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-N 116.182 -0.463 . . . . 10.0 111.333 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -65.76 -42.85 90.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.761 0.315 . . . . 10.0 110.489 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -63.32 -45.62 90.46 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.527 -0.545 . . . . 10.0 109.527 179.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 96.6 mt -71.22 -10.29 59.51 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.532 -0.758 . . . . 10.0 111.448 179.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -92.32 -47.02 7.41 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.511 -0.551 . . . . 10.0 109.511 178.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -69.63 -46.21 66.73 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.963 -0.562 . . . . 10.0 109.925 179.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -74.95 -33.68 61.97 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.778 -0.823 . . . . 10.0 108.778 178.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -64.91 -39.02 96.22 Favored Glycine 0 N--CA 1.45 -0.426 0 CA-C-N 115.461 -0.79 . . . . 10.0 111.781 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -63.14 -40.71 99.48 Favored Glycine 0 N--CA 1.45 -0.385 0 N-CA-C 110.894 -0.882 . . . . 10.0 110.894 178.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -65.9 -42.79 89.76 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.264 -0.643 . . . . 10.0 109.264 178.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 44.8 mtm180 -62.85 -41.53 99.39 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.228 178.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 24.7 mt -66.35 -46.94 75.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.449 -0.341 . . . . 10.0 110.698 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.49 -42.55 96.53 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.085 0.469 . . . . 10.0 110.184 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -67.1 -45.04 78.43 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.98 -0.555 . . . . 10.0 110.899 179.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -61.85 -37.01 82.9 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-O 120.964 0.411 . . . . 10.0 110.171 179.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.41 -44.01 88.76 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.63 -0.714 . . . . 10.0 109.461 178.424 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -63.71 -44.32 93.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.001 178.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 14.2 mttm -61.83 -39.83 93.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.802 -0.636 . . . . 10.0 109.682 178.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.82 -35.0 79.06 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.194 179.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 40.4 m -66.35 -43.38 86.22 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.451 -0.574 . . . . 10.0 109.451 178.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -66.87 -32.6 73.98 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 109.211 -0.663 . . . . 10.0 109.211 178.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -67.0 -28.78 68.53 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.594 -0.73 . . . . 10.0 109.527 178.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 48.0 mt -72.97 -34.51 66.52 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.43 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.82 -44.77 88.77 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.546 -0.539 . . . . 10.0 109.546 179.052 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.39 -32.24 66.22 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 116.003 -0.544 . . . . 10.0 109.729 179.014 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 41.0 tp -65.31 -35.84 82.24 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 108.899 -0.778 . . . . 10.0 108.899 178.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 71.1 m -64.42 -29.67 70.73 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.655 -0.702 . . . . 10.0 110.035 179.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -71.48 -17.39 62.36 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.153 0.501 . . . . 10.0 109.847 178.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 363' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -97.7 -37.31 9.94 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.635 -0.711 . . . . 10.0 109.452 178.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -77.02 -31.32 56.25 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.921 0.712 . . . . 10.0 112.921 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 69.5 mttt -100.35 -71.67 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 N-CA-C 112.421 0.526 . . . . 10.0 112.421 -179.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -64.76 -56.7 0.37 Allowed 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 121.836 1.691 . . . . 10.0 113.128 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 367' ' ' ALA . . . . . . . . . . . . . . . -57.56 -47.67 81.42 Favored 'General case' 0 C--O 1.225 -0.195 0 N-CA-C 112.684 0.624 . . . . 10.0 112.684 -179.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 10.5 mt -62.09 -43.52 98.67 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.943 -0.303 . . . . 10.0 110.833 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -62.23 -44.61 96.18 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.975 -0.75 . . . . 10.0 108.975 178.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -59.78 -43.33 94.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.459 -0.791 . . . . 10.0 109.806 179.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 75.4 mt -63.3 -47.58 81.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.519 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -60.91 -44.43 97.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.291 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -63.17 -30.21 71.41 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.84 -0.618 . . . . 10.0 111.3 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -83.65 -34.69 18.54 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.766 -0.73 . . . . 10.0 111.598 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 83.9 mt -74.25 -32.31 62.91 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.376 0.509 . . . . 10.0 112.376 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 68.8 mt -51.27 -59.43 7.77 Favored Pre-proline 0 CA--C 1.535 0.38 0 N-CA-C 112.269 0.47 . . . . 10.0 112.269 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -61.45 -29.84 85.84 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.197 1.932 . . . . 10.0 111.455 178.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 38.1 t -64.69 -43.51 96.59 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.12 0 N-CA-C 108.697 -0.853 . . . . 10.0 108.697 178.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 55.1 mt -63.9 -37.72 88.44 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.422 -0.585 . . . . 10.0 109.422 178.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -59.17 -52.49 65.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.692 -0.686 . . . . 10.0 110.32 179.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 4.0 p -67.36 -39.93 85.74 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.404 -0.362 . . . . 10.0 110.688 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.34 -44.76 88.84 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.425 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -60.19 -41.18 92.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.407 -0.361 . . . . 10.0 110.758 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 55.0 t -62.02 -47.23 94.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 109.934 -0.395 . . . . 10.0 109.934 179.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 12.3 m -62.99 -49.23 75.52 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.706 -0.679 . . . . 10.0 110.828 179.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -61.82 -43.25 99.22 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.114 -0.493 . . . . 10.0 111.8 -179.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 47.0 mt -61.02 -50.66 72.44 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.689 -0.232 . . . . 10.0 111.605 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 9.0 p -65.87 -34.81 79.0 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.472 -0.331 . . . . 10.0 110.936 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -64.03 -43.07 96.71 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.517 -0.31 . . . . 10.0 110.626 178.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 68.5 mt -59.05 -44.05 91.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.962 -0.563 . . . . 10.0 109.675 178.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -66.17 -38.31 87.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.628 -0.714 . . . . 10.0 110.285 179.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -59.69 -42.67 93.49 Favored 'General case' 0 CA--C 1.521 -0.172 0 CA-C-N 116.181 -0.463 . . . . 10.0 111.678 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -64.51 -48.88 73.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.964 -0.562 . . . . 10.0 111.079 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -68.24 -24.55 64.92 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.114 0.483 . . . . 10.0 110.987 179.36 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -71.04 -28.96 64.76 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 115.84 -0.618 . . . . 10.0 111.539 -179.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 2.0 mptt -111.9 -20.02 12.17 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 113.142 0.793 . . . . 10.0 113.142 -179.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 95.4 mt -100.53 8.89 43.21 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 120.74 0.305 . . . . 10.0 111.323 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 63.7 t30 . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.315 -0.402 . . . . 10.0 110.432 179.573 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 2.4 mm? . . . . . 0 CA--C 1.52 -0.179 0 CA-C-O 121.323 0.582 . . . . 10.0 110.051 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -99.65 19.56 15.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.406 -0.816 . . . . 10.0 110.14 179.587 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 71.2 mt -63.72 -30.76 71.82 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.619 -0.719 . . . . 10.0 110.803 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 18.1 mt -64.68 -41.93 95.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.339 0.59 . . . . 10.0 110.199 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -74.46 -35.0 63.29 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.018 -0.537 . . . . 10.0 109.934 178.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -64.54 -38.86 92.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.176 179.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 1.1 m95 -70.23 -29.45 66.27 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.522 -0.763 . . . . 10.0 110.642 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -61.28 -44.7 96.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.136 -0.483 . . . . 10.0 110.144 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.46 -39.12 93.61 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.275 179.466 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 44.5 t -69.9 -41.01 79.48 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.096 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 37.0 m -63.88 -36.01 82.54 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.321 0.582 . . . . 10.0 109.876 178.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 67.2 m -66.04 -41.84 90.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.762 -0.653 . . . . 10.0 110.652 178.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -68.56 -34.77 76.4 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 110.085 -0.339 . . . . 10.0 110.085 179.41 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -63.79 -40.57 96.97 Favored 'General case' 0 N--CA 1.46 0.069 0 N-CA-C 109.088 -0.708 . . . . 10.0 109.088 177.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 19.5 m -67.14 -38.98 86.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.219 -0.901 . . . . 10.0 109.083 178.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 41.0 mmtt -65.08 -28.29 69.36 Favored 'General case' 0 CA--C 1.522 -0.131 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.361 178.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 82.1 mt -67.83 -37.55 82.07 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.115 -0.698 . . . . 10.0 109.115 178.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 60.2 mtt180 -69.84 -36.37 75.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.704 -0.68 . . . . 10.0 109.733 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -61.68 -28.04 69.11 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-N 115.666 -0.697 . . . . 10.0 109.883 178.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -84.51 -51.45 6.89 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.428 -0.806 . . . . 10.0 108.853 177.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 33.8 mt -44.8 -47.81 10.94 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.241 -0.89 . . . . 10.0 112.768 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -51.62 -75.55 0.21 Allowed Glycine 0 CA--C 1.523 0.557 0 C-N-CA 121.186 -0.531 . . . . 10.0 112.934 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -57.39 -41.83 68.38 Favored 'Trans proline' 0 C--O 1.234 0.294 0 C-N-CA 122.872 2.381 . . . . 10.0 112.52 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 37.5 t -58.32 -49.9 80.37 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.198 0 N-CA-C 112.221 0.452 . . . . 10.0 112.221 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 46.7 p -66.59 -33.99 76.9 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.773 -0.371 . . . . 10.0 110.739 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -61.28 -52.29 65.33 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.98 -0.378 . . . . 10.0 109.98 179.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -73.43 -25.53 60.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.772 179.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -70.21 -38.72 75.34 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 108.981 -0.748 . . . . 10.0 108.981 178.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 2.4 m95 -64.78 -44.02 91.35 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 108.7 -0.852 . . . . 10.0 108.7 178.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -63.38 -37.34 86.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.274 -0.875 . . . . 10.0 109.288 178.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -66.35 -44.44 83.23 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.111 -0.7 . . . . 10.0 109.111 177.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 85.0 mt -61.08 -36.42 79.6 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 115.763 -0.653 . . . . 10.0 110.188 179.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -63.16 -39.34 94.37 Favored 'General case' 0 CA--C 1.522 -0.124 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.069 178.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 50.4 mttp -66.64 -43.31 84.99 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 109.201 -0.666 . . . . 10.0 109.201 178.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -61.77 -52.01 65.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.689 -0.687 . . . . 10.0 111.176 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 2.6 p -59.68 -47.54 85.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.384 -0.371 . . . . 10.0 111.322 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -62.85 -41.19 99.26 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 116.491 -0.322 . . . . 10.0 110.253 179.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -63.99 -43.25 97.67 Favored Glycine 0 N--CA 1.449 -0.486 0 N-CA-C 110.848 -0.901 . . . . 10.0 110.848 178.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 85.9 mt -64.89 -34.93 79.57 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.426 -0.583 . . . . 10.0 109.426 178.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 56.5 mtt180 -66.97 -36.15 81.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.748 -0.66 . . . . 10.0 109.632 178.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -60.03 -41.21 91.75 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 109.101 -0.703 . . . . 10.0 109.101 178.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -70.91 -49.45 45.65 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.647 -0.706 . . . . 10.0 109.339 178.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 8.1 mmt -57.27 -37.81 72.95 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 112.794 0.664 . . . . 10.0 112.794 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 44.7 m -58.5 -40.38 82.66 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.247 0.546 . . . . 10.0 110.316 179.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp -85.93 -42.91 13.65 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.437 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -60.05 -56.05 26.44 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.878 -0.601 . . . . 10.0 112.564 -179.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 96.1 mt -65.2 -44.8 87.21 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 113.061 0.764 . . . . 10.0 113.061 -178.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 446' ' ' GLU . . . . . 0.41 ' CD ' ' HZ1' ' D' ' 449' ' ' LYS . 5.3 mm-40 -67.63 -45.7 74.61 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.784 -0.366 . . . . 10.0 111.258 -179.627 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 447' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -70.4 -29.31 65.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.557 -0.292 . . . . 10.0 110.706 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -66.63 -27.41 40.03 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.355 0 N-CA-C 109.844 -0.428 . . . . 10.0 109.844 178.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 449' ' ' LYS . . . . . 0.41 ' HZ1' ' CD ' ' D' ' 446' ' ' GLU . 85.9 mttt -71.68 -29.37 64.52 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 108.789 -0.819 . . . . 10.0 108.789 178.04 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -96.72 15.71 21.12 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.211 -0.904 . . . . 10.0 109.655 179.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 45.0 mttm -125.71 -49.09 1.64 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.354 -0.839 . . . . 10.0 109.776 178.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 39.2 t -62.01 -43.75 98.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.586 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -60.74 -57.44 26.49 Favored Pre-proline 0 CA--C 1.533 0.309 0 N-CA-C 112.743 0.646 . . . . 10.0 112.743 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_endo -61.15 -35.86 83.9 Favored 'Trans proline' 0 C--N 1.352 0.753 0 C-N-CA 121.675 1.584 . . . . 10.0 111.456 178.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -68.54 -34.25 75.52 Favored 'General case' 0 C--O 1.232 0.158 0 N-CA-C 109.64 -0.504 . . . . 10.0 109.64 178.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 13.6 mt -69.65 -36.8 76.39 Favored 'General case' 0 C--O 1.219 -0.552 0 N-CA-C 108.851 -0.796 . . . . 10.0 108.851 178.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -65.04 -43.36 92.59 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 108.861 -0.792 . . . . 10.0 108.861 178.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 458' ' ' ASP . . . . . 0.531 ' CG ' ' HZ2' ' D' ' 462' ' ' LYS . 16.3 t70 -60.97 -42.52 98.49 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 115.221 -0.9 . . . . 10.0 109.164 178.328 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -68.98 -41.41 77.91 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.046 -0.979 . . . . 10.0 110.598 178.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -58.96 -43.98 91.4 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 109.923 -0.399 . . . . 10.0 109.923 179.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 74.4 mttt -61.8 -43.65 98.43 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.427 -0.583 . . . . 10.0 109.427 178.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 462' ' ' LYS . . . . . 0.531 ' HZ2' ' CG ' ' D' ' 458' ' ' ASP . 2.8 mtmm -66.77 -39.56 87.88 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.169 179.075 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 21.0 m0 -63.83 -39.26 93.81 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.569 -0.53 . . . . 10.0 109.569 178.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -65.34 -46.27 80.9 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 109.273 -0.64 . . . . 10.0 109.273 178.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 465' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -57.43 -48.35 79.37 Favored 'General case' 0 C--O 1.223 -0.334 0 N-CA-C 108.805 -0.813 . . . . 10.0 108.805 178.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -60.36 -52.35 65.61 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.736 -0.665 . . . . 10.0 111.07 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 72.6 mtm -60.2 -38.65 83.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 10.0 111.695 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -74.89 -36.82 62.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.451 -0.34 . . . . 10.0 110.61 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 469' ' ' LEU . . . . . . . . . . . . . 34.4 mt -61.3 -42.26 98.36 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.104 -0.702 . . . . 10.0 109.104 178.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 22.9 m-30 -64.73 -23.85 67.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.955 -0.566 . . . . 10.0 111.049 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 48.8 mtt85 -77.28 -25.15 51.08 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.291 0.567 . . . . 10.0 109.6 178.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -106.7 7.26 30.39 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.885 -0.598 . . . . 10.0 110.822 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 473' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -127.72 -72.48 0.63 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.057 -0.519 . . . . 10.0 110.311 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 11.3 t -62.88 -44.87 99.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.833 -0.621 . . . . 10.0 112.441 -178.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -56.91 -55.2 46.27 Favored Pre-proline 0 N--CA 1.47 0.528 0 N-CA-C 112.551 0.574 . . . . 10.0 112.551 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -66.34 -36.44 27.59 Favored 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 121.481 1.454 . . . . 10.0 111.225 177.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 8.8 mt -66.11 -23.95 66.59 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 116.292 -0.413 . . . . 10.0 110.654 179.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 14.5 mtt-85 -62.41 -32.96 73.87 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.14 -0.689 . . . . 10.0 109.14 178.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -72.71 -38.11 67.59 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 108.717 -0.846 . . . . 10.0 108.717 178.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.79 -43.65 88.13 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.128 -0.693 . . . . 10.0 109.128 178.071 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 72.8 mt -64.48 -38.81 92.32 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 115.362 -0.835 . . . . 10.0 109.54 178.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -70.84 -41.34 71.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.574 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -64.72 -43.96 91.75 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.485 -0.561 . . . . 10.0 109.485 178.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -65.31 -33.95 88.1 Favored Glycine 0 N--CA 1.451 -0.343 0 N-CA-C 110.409 -1.077 . . . . 10.0 110.409 178.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -70.6 -42.7 70.62 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.621 -0.511 . . . . 10.0 109.621 178.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -60.54 -41.65 94.91 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 108.553 -0.906 . . . . 10.0 108.553 178.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.47 -47.84 74.73 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.338 -0.846 . . . . 10.0 109.309 178.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -59.97 -43.18 95.24 Favored 'General case' 0 C--O 1.226 -0.16 0 CA-C-N 116.361 -0.381 . . . . 10.0 110.493 179.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 61.3 mt -63.12 -39.17 93.89 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.312 -0.625 . . . . 10.0 109.312 178.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 32.0 t60 -64.22 -46.42 83.95 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 108.787 -0.82 . . . . 10.0 108.787 178.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -61.43 -41.74 97.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.34 -0.845 . . . . 10.0 109.739 178.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 30.8 mt -66.37 -48.18 70.98 Favored 'General case' 0 C--O 1.216 -0.699 0 CA-C-N 115.434 -0.803 . . . . 10.0 111.1 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -59.6 -35.72 74.87 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.915 0.388 . . . . 10.0 110.975 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -72.4 3.76 4.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.733 -0.667 . . . . 10.0 110.988 179.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 495' ' ' LYS . . . . . . . . . . . . . 49.8 mttp -126.87 -45.59 1.59 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.857 -0.611 . . . . 10.0 109.734 178.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 98.9 mt -56.13 -35.14 66.77 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 116.171 -0.468 . . . . 10.0 112.176 -179.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 497' ' ' SER . . . . . . . . . . . . . 3.2 m -79.22 -62.84 0.42 Allowed Pre-proline 0 C--N 1.324 -0.519 0 CA-C-O 119.371 -0.347 . . . . 10.0 111.915 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 498' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -60.43 -49.53 8.86 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 122.245 1.964 . . . . 10.0 112.556 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 499' ' ' LEU . . . . . . . . . . . . . 96.8 mt -71.84 -26.14 62.25 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-O 120.743 0.306 . . . . 10.0 110.213 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -65.04 -51.29 52.26 Favored Glycine 0 N--CA 1.446 -0.684 0 N-CA-C 110.017 -1.233 . . . . 10.0 110.017 178.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -66.13 -34.13 77.35 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 109.464 -0.569 . . . . 10.0 109.464 178.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 502' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -64.6 -49.33 71.55 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.721 -0.672 . . . . 10.0 109.581 178.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 52.9 mmm -62.22 -39.01 91.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.008 -0.542 . . . . 10.0 109.828 179.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 67.8 mtt180 -66.94 -39.65 87.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.685 179.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -68.91 -41.01 78.8 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 110.035 -0.357 . . . . 10.0 110.035 178.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 506' ' ' ARG . . . . . . . . . . . . . 12.3 mtm180 -64.82 -34.37 78.2 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.03 -0.73 . . . . 10.0 109.03 178.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -66.38 -38.97 88.75 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 108.707 -0.849 . . . . 10.0 108.707 177.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 508' ' ' ARG . . . . . . . . . . . . . 75.7 mtt180 -60.26 -45.4 93.39 Favored 'General case' 0 C--O 1.224 -0.281 0 N-CA-C 108.536 -0.913 . . . . 10.0 108.536 178.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -60.25 -33.64 72.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.46 -0.791 . . . . 10.0 111.066 179.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -77.49 -48.35 17.3 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.051 0.453 . . . . 10.0 110.71 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 91.0 t -63.73 -45.26 97.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.68 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -64.08 -32.97 74.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.002 0.43 . . . . 10.0 110.235 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -68.45 -45.13 73.34 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 108.519 -0.919 . . . . 10.0 108.519 177.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 514' ' ' LEU . . . . . . . . . . . . . 86.9 mt -60.55 -27.19 67.47 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.787 -0.642 . . . . 10.0 110.952 179.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 515' ' ' ARG . . . . . . . . . . . . . 84.4 mtt180 -65.3 -28.81 69.58 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.404 0.621 . . . . 10.0 109.546 178.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.6 12.97 24.08 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.668 -0.696 . . . . 10.0 109.578 179.095 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 16.3 m170 -119.58 -67.02 1.01 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.697 -0.683 . . . . 10.0 111.042 -179.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 67.3 mt -73.85 -45.43 51.16 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.789 -0.642 . . . . 10.0 112.144 -178.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 519' ' ' ALA . . . . . . . . . . . . . . . -54.12 -56.07 29.93 Favored Pre-proline 0 CA--C 1.537 0.476 0 N-CA-C 112.6 0.592 . . . . 10.0 112.6 -179.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 520' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -64.84 -37.95 32.44 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.032 1.821 . . . . 10.0 111.581 178.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -64.77 -40.2 94.87 Favored 'General case' 0 C--O 1.225 -0.209 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.982 -179.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 1.8 p -65.74 -31.67 72.8 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.535 -0.466 . . . . 10.0 109.766 179.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.08 -43.3 74.83 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.078 -0.712 . . . . 10.0 109.078 178.483 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -67.64 -36.05 80.04 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 109.084 -0.71 . . . . 10.0 109.084 178.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 8.0 mt -61.62 -41.43 97.46 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-N 115.537 -0.756 . . . . 10.0 109.348 178.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 526' ' ' ARG . . . . . . . . . . . . . 56.3 mtt180 -61.91 -37.44 84.63 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 115.926 -0.579 . . . . 10.0 109.99 178.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -62.28 -35.57 79.41 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.191 0.52 . . . . 10.0 109.687 178.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 528' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -78.33 -43.27 28.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.642 -0.708 . . . . 10.0 109.265 178.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 75.0 mt -60.81 -38.5 85.6 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.491 -0.777 . . . . 10.0 111.089 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -61.3 -36.23 79.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.976 0.417 . . . . 10.0 110.232 178.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -74.81 -42.68 57.61 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.603 -0.726 . . . . 10.0 109.203 178.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -61.04 -45.57 94.23 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-N 115.709 -0.678 . . . . 10.0 109.174 178.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 84.9 mt -65.3 -36.06 82.93 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 115.812 -0.631 . . . . 10.0 110.213 178.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -64.85 -40.77 95.69 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 108.926 -0.768 . . . . 10.0 108.926 178.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -63.84 -38.36 90.79 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.776 -0.824 . . . . 10.0 108.776 177.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 81.0 mt -71.21 -21.72 62.1 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.501 -0.772 . . . . 10.0 110.869 179.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 45.0 mtmt -82.01 -45.76 14.88 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.937 -0.764 . . . . 10.0 108.937 178.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -64.16 -45.66 87.44 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.591 -0.731 . . . . 10.0 109.096 178.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -71.83 -33.22 68.31 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-N 115.345 -0.843 . . . . 10.0 109.291 178.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -64.19 -51.52 52.11 Favored Glycine 0 N--CA 1.446 -0.679 0 N-CA-C 111.045 -0.822 . . . . 10.0 111.045 179.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -59.29 -41.6 96.92 Favored Glycine 0 N--CA 1.452 -0.292 0 N-CA-C 111.254 -0.738 . . . . 10.0 111.254 179.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -66.24 -52.0 52.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.548 0.213 . . . . 10.0 110.623 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 55.8 mtt180 -60.84 -33.17 72.64 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.432 -0.349 . . . . 10.0 111.332 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 20.9 mt -66.09 -44.04 85.55 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.197 -0.668 . . . . 10.0 109.197 177.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -63.27 -39.7 95.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.768 -0.651 . . . . 10.0 109.419 178.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 -65.85 -43.1 89.46 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 115.667 -0.697 . . . . 10.0 109.292 178.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -63.01 -36.35 83.25 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.821 -0.627 . . . . 10.0 110.447 179.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 26.3 m-70 -69.35 -43.34 73.84 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.573 -0.528 . . . . 10.0 109.573 178.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -63.6 -46.88 83.77 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.902 -0.59 . . . . 10.0 109.695 178.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -35.74 81.23 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.462 -0.79 . . . . 10.0 109.818 179.063 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -59.68 -46.71 88.25 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 109.622 -0.51 . . . . 10.0 109.622 178.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.5 -45.99 77.74 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 116.253 -0.43 . . . . 10.0 110.399 178.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -58.63 -49.99 75.48 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 116.399 -0.364 . . . . 10.0 110.574 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 23.5 t60 -63.29 -38.33 90.73 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.868 -0.606 . . . . 10.0 109.798 179.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 25.6 tp -63.34 -43.92 96.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 10.0 111.002 179.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.15 -41.68 97.19 Favored 'General case' 0 C--N 1.333 -0.119 0 C-N-CA 121.107 -0.237 . . . . 10.0 110.97 179.316 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -72.44 -30.07 64.26 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 120.767 0.318 . . . . 10.0 110.313 179.263 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 19.4 mt -62.36 -48.41 79.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.453 . . . . 10.0 110.06 178.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.03 -35.1 74.07 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 109.335 -0.617 . . . . 10.0 109.335 178.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -64.11 -27.51 69.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.32 -0.855 . . . . 10.0 109.922 179.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.49 18.57 20.22 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.334 179.193 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -119.96 -46.44 2.43 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 115.862 -0.608 . . . . 10.0 110.693 179.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -58.69 -62.99 4.62 Favored Pre-proline 0 C--N 1.331 -0.212 0 N-CA-C 111.853 0.316 . . . . 10.0 111.853 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -67.71 -29.46 35.85 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 121.52 1.48 . . . . 10.0 111.316 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -66.77 -56.0 12.47 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.357 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 75.1 mt -60.25 -39.7 87.69 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-O 120.755 0.312 . . . . 10.0 110.219 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -60.69 -55.62 31.08 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.145 -0.479 . . . . 10.0 110.458 178.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -62.18 -42.71 99.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.401 -0.363 . . . . 10.0 110.987 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 76.1 mt -58.7 -45.57 89.22 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.576 -0.283 . . . . 10.0 110.793 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 64.0 mtt180 -69.54 -39.25 77.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.422 -0.353 . . . . 10.0 110.29 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -63.47 -22.78 67.08 Favored 'General case' 0 CA--C 1.521 -0.152 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.023 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -95.94 -30.76 7.72 Favored Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 110.849 -0.9 . . . . 10.0 110.849 178.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 14.2 mt -67.68 -47.28 69.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.59 -0.305 . . . . 10.0 111.277 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 91.1 mt -50.31 -59.44 7.14 Favored Pre-proline 0 CA--C 1.537 0.463 0 N-CA-C 112.987 0.736 . . . . 10.0 112.987 -179.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -66.4 -37.01 24.88 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 121.794 1.663 . . . . 10.0 112.175 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.61 -36.43 77.59 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 CA-C-O 120.76 0.314 . . . . 10.0 110.743 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 61.2 mt -65.16 -42.34 93.85 Favored 'General case' 0 CA--C 1.517 -0.295 0 N-CA-C 109.102 -0.703 . . . . 10.0 109.102 178.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -66.25 -38.44 87.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.736 -0.666 . . . . 10.0 109.731 179.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 20.1 m -66.09 -44.65 83.78 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.341 -0.615 . . . . 10.0 109.341 178.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -62.79 -32.72 73.94 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 115.898 -0.592 . . . . 10.0 109.682 178.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -61.13 -48.19 82.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.005 178.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 40.8 t -59.44 -45.35 93.7 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.354 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 4.7 m -65.88 -40.19 91.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.507 179.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.61 -48.75 71.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.043 179.491 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 97.4 mt -56.59 -52.24 65.57 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.624 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 12.2 p -64.16 -33.36 75.6 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 116.377 -0.374 . . . . 10.0 111.065 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -66.52 -58.79 4.49 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.158 -0.312 . . . . 10.0 110.158 179.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 63.3 mt -58.79 -42.81 89.93 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.016 -0.538 . . . . 10.0 111.667 -178.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -63.06 -46.92 85.22 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.438 -0.347 . . . . 10.0 110.865 -179.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -69.25 -33.45 73.28 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.855 -0.338 . . . . 10.0 111.708 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 16.0 m-30 -64.8 -38.12 89.91 Favored 'General case' 0 N--CA 1.462 0.173 0 N-CA-C 109.559 -0.534 . . . . 10.0 109.559 178.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 35.7 m -59.84 -36.05 76.02 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.369 179.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -66.09 -31.32 72.12 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.957 0.408 . . . . 10.0 110.969 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -82.39 -38.71 23.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.967 -0.56 . . . . 10.0 110.51 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 90.8 mt -74.26 -20.02 60.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.811 -0.631 . . . . 10.0 111.629 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 . . . . . 0 C--N 1.325 -0.499 0 CA-C-N 116.12 -0.491 . . . . 10.0 111.173 179.873 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.451 -0.383 0 CA-C-O 120.902 0.382 . . . . 10.0 110.735 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 6.9 m -98.8 141.11 32.01 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.077 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -95.33 140.92 29.52 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.48 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -129.05 114.33 16.26 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.057 -0.52 . . . . 10.0 109.861 179.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 40.7 mttm -81.96 112.72 19.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.047 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 24.6 mt -119.65 111.75 18.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.69 -179.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 22.3 t -95.79 130.86 43.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.849 -0.614 . . . . 10.0 110.495 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 9.9 t -93.04 111.09 24.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.014 -0.539 . . . . 10.0 109.629 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 19.7 m -111.69 158.32 12.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.191 -0.459 . . . . 10.0 111.503 -179.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 142.85 166.66 11.16 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 121.027 -0.606 . . . . 10.0 111.681 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.29 170.31 3.05 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.997 0.427 . . . . 10.0 110.929 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.55 140.88 29.47 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.101 0.476 . . . . 10.0 111.493 -179.499 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.59 8.5 67.75 Favored Glycine 0 N--CA 1.452 -0.27 0 CA-C-N 115.773 -0.648 . . . . 10.0 113.675 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 32.7 m -87.62 -18.29 8.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 112.655 0.613 . . . . 10.0 112.655 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 110.1 22.29 6.61 Favored Glycine 0 CA--C 1.518 0.271 0 C-N-CA 120.457 -0.877 . . . . 10.0 113.527 179.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 15.2 mtmm -62.16 -42.27 99.11 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.116 0.484 . . . . 10.0 110.764 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 20.8 m -79.45 -34.43 41.54 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.997 -179.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.71 -49.79 74.11 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.686 -0.487 . . . . 10.0 109.686 178.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 13.9 mt -60.02 -44.59 94.5 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.092 -0.504 . . . . 10.0 111.262 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 18.5 m -62.96 -45.46 92.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 10.0 111.574 -179.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 88.5 mt -68.13 -34.38 66.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.504 -0.317 . . . . 10.0 111.11 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -69.83 -19.27 63.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.883 0.373 . . . . 10.0 110.299 178.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 20.5 tp -90.21 -36.89 14.5 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.04 -0.527 . . . . 10.0 111.515 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 34.6 mm -87.35 -60.04 2.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.97 0.414 . . . . 10.0 111.851 -179.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -89.53 -20.31 23.96 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.377 -0.374 . . . . 10.0 111.527 -179.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 69.06 38.39 1.98 Allowed 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 113.155 0.798 . . . . 10.0 113.155 178.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -142.81 153.19 42.99 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.747 -0.381 . . . . 10.0 111.593 179.015 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -87.0 137.66 32.16 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.882 0.372 . . . . 10.0 111.274 -179.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -110.58 103.69 15.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.822 -0.626 . . . . 10.0 110.929 179.258 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -69.75 -25.43 63.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.81 -0.632 . . . . 10.0 109.698 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -78.35 129.23 34.74 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.032 -0.986 . . . . 10.0 110.7 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -85.22 127.79 34.43 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.493 -0.321 . . . . 10.0 110.169 179.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -122.41 108.9 33.33 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.274 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -68.83 82.81 0.56 Allowed 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 123.212 2.608 . . . . 10.0 111.372 179.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -88.72 119.0 28.8 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.6 -0.727 . . . . 10.0 110.776 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 25.5 mm -73.09 -45.01 55.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.339 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -163.84 102.9 0.9 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.367 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -126.88 132.48 50.92 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.494 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.7 p -106.95 148.61 28.44 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.677 0.621 . . . . 10.0 112.677 -178.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -133.26 139.6 47.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.704 -0.68 . . . . 10.0 109.877 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -120.92 132.5 54.99 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.609 0.243 . . . . 10.0 110.875 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 73.0 tttt -154.21 137.97 16.16 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.244 -0.435 . . . . 10.0 110.347 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -112.47 118.9 36.43 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.31 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 19.4 m -128.18 176.85 6.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.292 -0.413 . . . . 10.0 111.446 -179.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 84.7 t -105.05 114.11 43.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.255 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 48.0 mt -123.79 125.14 70.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.551 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 64.37 17.15 10.61 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.514 -0.766 . . . . 10.0 111.687 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.93 -0.63 62.68 Favored Glycine 0 C--N 1.334 0.439 0 C-N-CA 121.028 -0.606 . . . . 10.0 112.292 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -117.37 136.16 53.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 122.739 -0.271 . . . . 10.0 110.727 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.08 125.29 26.9 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.339 -0.986 . . . . 10.0 108.339 178.697 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 7.6 m -123.84 134.49 53.58 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.929 0.395 . . . . 10.0 111.793 -178.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 39.4 tp -93.21 109.81 21.32 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.508 -0.923 . . . . 10.0 108.508 178.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 35.3 mt -91.72 123.46 35.13 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 112.666 0.617 . . . . 10.0 112.666 -178.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -107.02 86.2 2.27 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.284 -1.006 . . . . 10.0 108.284 178.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 9.3 mt -84.9 143.37 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.665 -0.698 . . . . 10.0 111.727 -177.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 46.2 tp -136.5 111.65 9.02 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.354 -0.385 . . . . 10.0 111.333 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -92.55 114.25 26.75 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.83 -0.804 . . . . 10.0 108.83 179.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 3.4 p -114.8 151.62 33.51 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.84 0.352 . . . . 10.0 111.923 -178.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.95 132.34 45.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.143 0.497 . . . . 10.0 111.382 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -105.56 36.28 4.5 Favored Glycine 0 N--CA 1.447 -0.58 0 N-CA-C 110.932 -0.867 . . . . 10.0 110.932 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -89.44 8.22 31.97 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.696 0.284 . . . . 10.0 110.94 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 69.19 -169.12 0.18 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.765 -0.652 . . . . 10.0 112.412 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 78.43 -23.89 0.23 Allowed 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 123.435 0.694 . . . . 10.0 111.722 -179.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -84.04 47.13 1.27 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.533 -0.303 . . . . 10.0 111.007 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -57.88 -45.71 85.95 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.45 -0.341 . . . . 10.0 111.804 -179.333 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.59 -34.95 19.72 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.247 0.546 . . . . 10.0 111.416 -179.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 19.7 ttt -64.26 -37.43 87.46 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.793 -0.64 . . . . 10.0 111.437 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 12.0 ttp180 -59.09 -40.23 84.61 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.025 -0.534 . . . . 10.0 112.398 -179.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -55.76 -40.69 72.93 Favored 'General case' 0 C--O 1.225 -0.218 0 N-CA-C 112.544 0.572 . . . . 10.0 112.544 -178.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -58.66 -57.08 14.57 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.501 0.926 . . . . 10.0 113.501 -177.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 25.3 p90 -72.32 -24.11 61.26 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.296 -0.561 . . . . 10.0 112.25 -179.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 29.5 mtt -70.97 -36.21 72.45 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.234 0.54 . . . . 10.0 110.146 178.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 45.2 ttm105 -70.61 -39.8 73.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.813 -0.63 . . . . 10.0 110.349 179.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 4.4 m -73.99 -27.48 60.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.77 -0.65 . . . . 10.0 111.708 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -75.94 158.98 50.34 Favored Glycine 0 CA--C 1.52 0.361 0 C-N-CA 120.888 -0.672 . . . . 10.0 113.597 -179.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -114.71 -54.48 2.57 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.296 -0.631 . . . . 10.0 109.296 179.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -106.73 139.75 14.99 Favored Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 110.174 -1.17 . . . . 10.0 110.174 178.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -116.57 130.1 56.55 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.246 0.546 . . . . 10.0 112.389 -178.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 13.2 tp -98.86 91.23 4.97 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.424 -0.807 . . . . 10.0 109.572 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 35.1 m -84.01 95.76 8.66 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.097 0.475 . . . . 10.0 110.412 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 25.4 t -98.77 131.87 45.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.465 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 33.7 p90 -133.1 160.37 37.38 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.146 -0.479 . . . . 10.0 109.815 178.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -101.86 126.57 48.77 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.67 -0.493 . . . . 10.0 109.67 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 33.2 pt -65.38 -11.04 11.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 112.333 0.494 . . . . 10.0 112.333 -179.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -103.82 -5.08 22.75 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.765 0.317 . . . . 10.0 111.01 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -120.2 105.71 11.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.602 -179.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 27.5 m -61.13 -38.5 86.6 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.47 0.545 . . . . 10.0 112.47 -179.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -56.68 -44.54 81.52 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.062 0.393 . . . . 10.0 112.062 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 93.3 p -64.51 -29.88 70.91 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.694 0.283 . . . . 10.0 111.426 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -76.04 -34.4 59.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.05 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -71.91 -40.76 68.58 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.978 -0.555 . . . . 10.0 110.624 179.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.14 -21.55 59.52 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.48 -0.782 . . . . 10.0 112.617 -179.129 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 49.5 mm -54.79 -50.71 58.74 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-O 120.777 0.322 . . . . 10.0 111.284 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -63.85 -35.4 80.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 10.0 110.794 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 38.2 m-70 -63.36 -41.5 98.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.484 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -68.67 -45.48 71.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.132 -0.486 . . . . 10.0 110.897 179.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -54.14 -44.1 71.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.008 -0.542 . . . . 10.0 111.408 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -67.45 -36.75 81.8 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.358 -0.383 . . . . 10.0 111.951 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -69.84 -48.64 58.14 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 110.267 -0.272 . . . . 10.0 110.267 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 83.9 mt -54.03 -49.54 60.01 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 O-C-N 123.547 0.529 . . . . 10.0 111.18 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 26.5 mtmt -64.59 -23.72 67.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.665 -0.698 . . . . 10.0 111.945 -179.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 9.2 tmm_? -81.6 -41.58 21.32 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.306 -0.406 . . . . 10.0 111.374 -179.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 25.8 t -63.34 -53.4 46.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.27 -0.423 . . . . 10.0 111.93 -179.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -83.46 -8.66 59.33 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.497 -0.319 . . . . 10.0 111.843 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 38.7 t70 54.02 70.44 0.6 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.915 -0.584 . . . . 10.0 111.657 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 17.6 t -166.08 153.15 9.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.639 -0.71 . . . . 10.0 109.558 179.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 22.3 tp10 -100.52 -5.53 26.78 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.262 0.553 . . . . 10.0 109.646 179.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -112.73 95.04 5.2 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.803 -0.635 . . . . 10.0 111.23 -179.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 23.3 t -128.29 126.84 23.7 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 109.398 -0.593 . . . . 10.0 109.398 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -64.39 109.24 1.15 Allowed 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 123.117 2.545 . . . . 10.0 111.722 179.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 52.3 mtm -141.7 159.96 41.15 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.066 -0.515 . . . . 10.0 111.111 -179.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 98.8 t -138.86 147.84 24.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 108.662 -0.866 . . . . 10.0 108.662 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 17.0 tp -94.9 113.93 25.71 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.533 -0.543 . . . . 10.0 109.533 179.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 37.6 t -105.83 110.09 30.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.326 0.584 . . . . 10.0 112.569 -178.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -101.27 103.98 2.65 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 109.984 -1.247 . . . . 10.0 109.984 178.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -96.78 170.26 9.3 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.927 0.363 . . . . 10.0 111.624 -178.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 96.0 mttt 67.88 27.99 7.12 Favored 'General case' 0 N--CA 1.463 0.188 0 O-C-N 123.645 0.59 . . . . 10.0 111.554 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 86.0 m -71.79 -9.89 58.96 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 112.611 0.597 . . . . 10.0 112.611 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -90.35 -3.2 57.89 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.79 0.329 . . . . 10.0 110.563 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 64.8 mt -89.18 142.2 29.81 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 10.0 111.079 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -72.52 163.89 37.22 Favored 'Trans proline' 0 C--O 1.237 0.446 0 C-N-CA 122.544 2.163 . . . . 10.0 112.17 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 51.7 m 55.77 78.66 0.19 Allowed 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 115.598 -0.728 . . . . 10.0 111.667 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -92.6 134.29 35.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.519 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -85.76 -41.22 15.28 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.212 179.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 62.0 t -92.25 126.06 44.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.148 0.499 . . . . 10.0 109.97 178.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -89.57 145.56 25.19 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.539 -0.755 . . . . 10.0 110.498 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 5.3 m -59.05 -34.22 71.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.054 0.454 . . . . 10.0 110.962 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 7.2 mtpt -61.78 -57.7 10.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.474 -0.785 . . . . 10.0 110.982 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -62.02 -34.88 77.02 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.934 -0.306 . . . . 10.0 111.71 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.2 -46.97 72.28 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.097 0.475 . . . . 10.0 110.709 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.34 -36.11 78.76 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.088 -0.506 . . . . 10.0 111.155 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -67.51 -33.82 75.86 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.072 0.463 . . . . 10.0 109.853 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 26.9 tp -72.04 -42.66 66.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.813 -0.631 . . . . 10.0 109.362 178.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.87 -31.34 72.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.956 -0.565 . . . . 10.0 109.868 178.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -63.55 -36.21 83.04 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.69 -0.687 . . . . 10.0 110.101 178.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.2 -39.95 86.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.585 -0.734 . . . . 10.0 110.605 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -76.37 -32.76 58.78 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.392 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 91.99 31.66 9.05 Favored Glycine 0 N--CA 1.447 -0.578 0 N-CA-C 110.712 -0.955 . . . . 10.0 110.712 -179.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 46.5 pt -120.82 159.08 50.28 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.14 -0.53 . . . . 10.0 110.494 -178.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -82.46 158.31 16.92 Favored 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 122.95 2.433 . . . . 10.0 111.852 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -137.15 129.59 29.86 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.196 -0.456 . . . . 10.0 110.716 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 3.3 mp -131.96 129.98 60.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.369 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -73.78 114.07 11.64 Favored 'General case' 0 C--N 1.333 -0.131 0 N-CA-C 108.485 -0.931 . . . . 10.0 108.485 178.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 6.3 p -111.13 155.4 22.91 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 114.053 1.131 . . . . 10.0 114.053 -177.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 16.2 t -149.04 98.56 2.85 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 106.993 -1.484 . . . . 10.0 106.993 177.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -59.54 -35.18 73.72 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.015 0.436 . . . . 10.0 111.589 -179.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -58.28 -43.29 87.94 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.668 -0.696 . . . . 10.0 111.391 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.83 5.44 43.45 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.358 -0.383 . . . . 10.0 112.032 -178.537 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 57.29 29.57 17.01 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 121.74 0.781 . . . . 10.0 110.316 -179.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -89.04 120.69 30.67 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.406 -0.815 . . . . 10.0 111.348 -178.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 76.03 -9.56 18.16 Favored Glycine 0 C--N 1.332 0.341 0 CA-C-N 115.545 -0.752 . . . . 10.0 113.549 178.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 97.0 t -55.22 -41.22 59.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 112.123 0.416 . . . . 10.0 112.123 -179.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -71.43 -57.45 4.42 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 112.029 0.381 . . . . 10.0 112.029 -179.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -56.92 -42.07 79.32 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.619 0.6 . . . . 10.0 112.619 -178.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -57.5 -53.62 56.09 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 120.922 0.391 . . . . 10.0 112.008 -179.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -66.08 -38.87 89.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.431 -0.35 . . . . 10.0 111.059 -179.479 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -61.3 -48.8 79.73 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.975 -0.557 . . . . 10.0 111.479 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 25.4 m -61.28 -35.35 77.09 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.055 0.391 . . . . 10.0 112.055 -179.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 56.8 tp -60.02 -44.56 94.53 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.742 0.306 . . . . 10.0 111.284 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 21.7 t -67.89 -36.11 74.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.019 0.437 . . . . 10.0 110.246 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 85.2 mtm-85 -64.42 -32.6 74.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.777 -0.647 . . . . 10.0 111.388 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -61.88 -38.35 87.99 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.959 -0.385 . . . . 10.0 109.959 178.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 73.5 mt -67.89 -45.46 83.97 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.107 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 3.3 mtt85 -64.58 -44.25 91.29 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.709 179.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 8.8 ttmt . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 115.654 -0.703 . . . . 10.0 110.813 179.805 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 C--O 1.233 0.209 0 CA-C-O 120.907 0.384 . . . . 10.0 110.517 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 7.3 m -105.82 138.89 41.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.727 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -92.72 127.19 38.13 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.277 -0.638 . . . . 10.0 109.277 179.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -118.38 119.84 35.81 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.643 -0.503 . . . . 10.0 109.643 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -86.86 121.08 28.85 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.742 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -123.93 122.96 39.34 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.413 -0.358 . . . . 10.0 111.332 -178.592 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 48.5 t -110.22 129.66 64.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 110.09 -0.337 . . . . 10.0 110.09 179.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 1.3 t -95.89 107.83 20.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.787 0.327 . . . . 10.0 110.539 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 21.4 m -106.03 146.54 12.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.81 0.338 . . . . 10.0 111.333 -179.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 159.58 173.67 28.35 Favored Glycine 0 N--CA 1.442 -0.905 0 N-CA-C 111.378 -0.689 . . . . 10.0 111.378 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.21 -176.05 5.38 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.201 0.524 . . . . 10.0 111.633 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.9 146.46 26.71 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.239 -0.437 . . . . 10.0 110.577 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 81.68 5.0 90.21 Favored Glycine 0 CA--C 1.521 0.414 0 C-N-CA 121.108 -0.568 . . . . 10.0 113.613 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 27.7 m -77.45 -42.95 30.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 117.261 0.53 . . . . 10.0 112.204 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 126.47 11.63 3.66 Favored Glycine 0 C--N 1.333 0.381 0 C-N-CA 120.407 -0.902 . . . . 10.0 114.201 178.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 7.2 mtmt -54.85 -39.98 69.16 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.34 0.496 . . . . 10.0 112.34 -179.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 51.1 m -72.64 -48.03 42.75 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 110.151 -0.314 . . . . 10.0 110.151 -179.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.24 -44.16 88.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.953 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 45.5 mt -62.93 -39.18 93.81 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.534 179.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 49.3 m -69.32 -47.95 62.92 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.893 -0.594 . . . . 10.0 110.726 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 78.1 mt -61.08 -37.95 78.52 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 CA-C-O 120.886 0.374 . . . . 10.0 110.398 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.77 -40.1 91.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.29 -0.414 . . . . 10.0 110.908 179.325 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 4.3 tp -81.74 -15.14 55.29 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 112.109 0.411 . . . . 10.0 112.109 -179.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 25.8 mm -101.4 -58.03 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 112.372 0.508 . . . . 10.0 112.372 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -97.39 -9.61 27.05 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.404 0.52 . . . . 10.0 112.404 -177.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 67.9 m-20 69.63 44.13 0.92 Allowed 'General case' 0 C--O 1.234 0.285 0 N-CA-C 113.713 1.005 . . . . 10.0 113.713 178.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 9.0 p80 -157.05 148.19 21.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.889 0.376 . . . . 10.0 111.248 178.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -98.34 134.54 41.2 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.79 -0.641 . . . . 10.0 110.032 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 13.4 m -99.72 142.76 14.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.391 -0.368 . . . . 10.0 110.283 179.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -93.07 -24.84 18.17 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.094 0.473 . . . . 10.0 110.907 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -87.85 142.66 27.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.167 -0.47 . . . . 10.0 110.917 179.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -98.81 114.77 27.47 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.975 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -104.0 119.58 53.89 Favored Pre-proline 0 C--N 1.32 -0.708 0 CA-C-N 115.571 -0.74 . . . . 10.0 110.134 178.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -61.34 99.71 0.17 Allowed 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 123.398 2.732 . . . . 10.0 111.391 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.15 126.69 31.07 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.285 -0.87 . . . . 10.0 111.101 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 49.8 mm -93.43 -44.47 13.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 108.559 -0.904 . . . . 10.0 108.559 178.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 176.67 99.58 0.02 OUTLIER 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.25 -0.886 . . . . 10.0 109.86 178.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -124.03 138.4 54.46 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.299 -0.41 . . . . 10.0 110.555 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 3.0 p -119.12 151.4 38.36 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.147 -0.479 . . . . 10.0 111.884 -179.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -144.2 139.77 28.91 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.626 -0.715 . . . . 10.0 110.417 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -111.93 129.69 56.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 10.0 111.085 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -141.4 138.55 33.05 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.989 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -106.44 125.61 51.22 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.824 -0.625 . . . . 10.0 110.105 179.688 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 2.5 m -138.35 162.84 29.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.591 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 42.2 t -96.98 93.79 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.061 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 19.5 mt -93.3 107.75 19.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.951 -0.568 . . . . 10.0 111.108 -179.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 61.23 23.63 13.83 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.124 -0.944 . . . . 10.0 112.051 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.05 -5.69 68.71 Favored Glycine 0 N--CA 1.451 -0.363 0 N-CA-C 111.068 -0.813 . . . . 10.0 111.068 -179.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -101.66 112.18 24.67 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.669 -0.493 . . . . 10.0 109.669 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.38 119.04 10.25 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.834 -0.432 . . . . 10.0 109.834 179.476 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 26.8 m -123.5 136.08 54.38 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 112.838 0.681 . . . . 10.0 112.838 -178.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 55.9 tp -98.44 108.92 21.73 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 106.97 -1.493 . . . . 10.0 106.97 177.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 38.9 mt -91.07 128.84 37.05 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 113.96 1.096 . . . . 10.0 113.96 -177.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 59.2 t0 -109.56 88.97 2.87 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 107.453 -1.314 . . . . 10.0 107.453 177.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 3.7 mt -85.94 141.83 13.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.417 -0.81 . . . . 10.0 111.079 -178.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 39.5 tp -140.58 110.32 6.42 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.488 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -95.2 101.33 13.07 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 109.039 -0.726 . . . . 10.0 109.039 177.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 76.8 p -85.79 167.05 15.56 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.731 -0.668 . . . . 10.0 111.392 -178.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.58 141.52 55.43 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.884 -0.598 . . . . 10.0 111.008 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -118.39 40.69 2.22 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.755 -0.736 . . . . 10.0 112.456 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -104.59 7.68 35.14 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.811 0.338 . . . . 10.0 110.929 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 58.19 -157.96 0.3 Allowed 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.778 -0.646 . . . . 10.0 112.343 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 77.25 -53.29 0.55 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.81 -0.632 . . . . 10.0 112.008 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -84.82 68.57 10.51 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.09 0.471 . . . . 10.0 112.079 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 9.2 m -67.71 -27.6 66.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.265 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -72.56 -28.45 62.83 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.938 -0.574 . . . . 10.0 111.075 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 23.6 ttt -72.52 -32.01 65.78 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.37 0.605 . . . . 10.0 110.614 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 68' ' ' ARG . . . . . . . . . . . . . 21.2 ttp180 -75.7 -32.12 59.96 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.013 -0.54 . . . . 10.0 111.451 -179.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -57.57 -29.17 64.21 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.084 -0.507 . . . . 10.0 112.291 -179.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -72.63 -59.95 2.47 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 113.516 0.932 . . . . 10.0 113.516 -178.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 71' ' ' TYR . . . . . . . . . . . . . 24.9 p90 -66.73 -14.42 62.53 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 113.636 0.976 . . . . 10.0 113.636 -178.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 26.6 mtt -69.88 -24.8 63.47 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.868 0.365 . . . . 10.0 110.851 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 46.8 mtt180 -80.04 -45.91 17.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.478 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -69.77 -44.11 70.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.532 -0.758 . . . . 10.0 111.757 -179.347 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.27 128.39 36.25 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 121.012 -0.613 . . . . 10.0 113.123 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -79.53 -58.74 3.05 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 109.677 -0.49 . . . . 10.0 109.677 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -112.47 159.77 13.52 Favored Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 111.222 -0.751 . . . . 10.0 111.222 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 78' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -131.68 136.54 47.76 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.819 0.343 . . . . 10.0 110.889 -179.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 18.3 tp -104.76 116.35 31.88 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.228 -0.442 . . . . 10.0 109.832 179.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 13.6 m -83.49 101.01 11.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.489 -0.323 . . . . 10.0 110.134 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 94.9 t -103.73 124.48 58.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.086 -0.506 . . . . 10.0 110.946 -179.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 26.6 p90 -138.47 158.95 43.28 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.717 -0.475 . . . . 10.0 109.717 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -101.23 131.73 47.09 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.722 -0.473 . . . . 10.0 109.722 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 84' ' ' ILE . . . . . . . . . . . . . 38.1 pt -62.84 -19.62 23.65 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 N-CA-C 112.262 0.467 . . . . 10.0 112.262 -178.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 22.3 p-10 -94.79 3.65 54.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.256 0.55 . . . . 10.0 110.547 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 44.1 t-20 -124.95 95.58 4.55 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.879 -0.601 . . . . 10.0 110.237 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -36.78 84.71 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.043 -0.526 . . . . 10.0 111.836 -179.065 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 88' ' ' LYS . . . . . 0.424 ' HZ3' ' CG ' ' C' ' 92' ' ' ASP . 25.0 tptp -60.94 -41.39 96.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.217 -0.447 . . . . 10.0 111.177 -179.546 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 86.9 p -65.22 -24.66 67.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.915 0.388 . . . . 10.0 111.621 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -79.06 -38.38 36.59 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.11 -0.495 . . . . 10.0 110.168 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -71.85 -30.54 65.56 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.298 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 92' ' ' ASP . . . . . 0.424 ' CG ' ' HZ3' ' C' ' 88' ' ' LYS . 36.9 m-20 -66.24 -21.42 66.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.601 -0.727 . . . . 10.0 111.501 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 47.9 mm -56.09 -40.52 64.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.554 -0.294 . . . . 10.0 110.677 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 50.7 t60 -62.76 -50.93 69.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.252 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 47.1 m-70 -58.02 -41.46 83.22 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.696 -0.683 . . . . 10.0 111.104 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 22.1 m-30 -69.83 -42.89 73.04 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.014 -0.539 . . . . 10.0 111.237 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 97' ' ' ARG . . . . . 0.473 ' NH1' ' HZ1' ' C' ' 101' ' ' LYS . 3.8 tmt_? -62.32 -44.55 96.24 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.035 -0.53 . . . . 10.0 111.621 -179.502 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -61.9 -38.24 87.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.401 -0.363 . . . . 10.0 111.15 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -67.2 -41.81 85.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.744 0.306 . . . . 10.0 110.528 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 96.0 mt -54.87 -49.94 65.92 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 CA-C-N 115.773 -0.649 . . . . 10.0 110.632 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 101' ' ' LYS . . . . . 0.473 ' HZ1' ' NH1' ' C' ' 97' ' ' ARG . 39.8 mtmt -63.14 -38.97 93.27 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.753 -0.658 . . . . 10.0 111.182 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 46.6 ttm105 -63.81 -51.06 66.46 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.909 -0.587 . . . . 10.0 111.907 -179.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 53.0 t -68.33 -42.46 84.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 112.604 0.594 . . . . 10.0 112.604 -178.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -82.71 -9.58 59.3 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.641 0.608 . . . . 10.0 112.641 -178.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 15.5 t70 56.79 36.38 27.61 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.309 0.576 . . . . 10.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 43.7 t -140.45 135.27 31.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.714 -0.675 . . . . 10.0 110.434 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -86.32 -29.02 23.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.427 0.632 . . . . 10.0 110.061 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -103.32 106.79 17.39 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.618 -0.719 . . . . 10.0 110.781 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 58.5 t -134.58 132.36 20.72 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 115.552 -0.749 . . . . 10.0 109.735 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_exo -58.0 106.73 0.27 Allowed 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.772 2.315 . . . . 10.0 111.603 179.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 111' ' ' MET . . . . . . . . . . . . . 63.3 mtm -138.57 149.73 45.59 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.645 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 79.1 t -133.83 135.72 54.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 116.149 -0.478 . . . . 10.0 109.742 179.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 28.8 tp -97.48 119.86 36.8 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.239 -0.652 . . . . 10.0 109.239 179.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 2.1 m -128.82 130.19 68.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-O 120.989 0.423 . . . . 10.0 111.415 -179.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -97.11 129.61 9.96 Favored Glycine 0 N--CA 1.445 -0.731 0 N-CA-C 110.835 -0.906 . . . . 10.0 110.835 178.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -101.86 164.5 11.69 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 122.623 -0.339 . . . . 10.0 111.16 -179.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 95.8 mttt 62.68 33.2 15.78 Favored 'General case' 0 N--CA 1.463 0.212 0 O-C-N 123.593 0.558 . . . . 10.0 111.549 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 118' ' ' CYS . . . . . . . . . . . . . 78.9 m -72.68 -2.12 18.95 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.647 0.61 . . . . 10.0 112.647 -179.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -96.8 -2.9 43.21 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.217 0.532 . . . . 10.0 110.194 179.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 42.9 mt -93.45 145.98 30.99 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.574 -0.739 . . . . 10.0 110.284 179.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -82.34 169.24 14.26 Favored 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 122.796 2.331 . . . . 10.0 112.113 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 3.4 m 58.72 69.87 0.7 Allowed 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.775 -0.648 . . . . 10.0 112.528 179.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 15.4 ptp180 -89.28 144.85 25.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.068 -0.514 . . . . 10.0 110.085 179.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.96 -34.84 15.01 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.778 0.323 . . . . 10.0 110.538 -179.252 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 89.3 t -102.21 117.73 47.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 109.876 -0.416 . . . . 10.0 109.876 178.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 126' ' ' ASP . . . . . 0.437 ' CG ' ' HZ2' ' C' ' 128' ' ' LYS . 10.9 t70 -73.3 151.71 41.21 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.16 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 3.3 m -58.5 -42.52 87.82 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.576 -0.284 . . . . 10.0 111.143 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 128' ' ' LYS . . . . . 0.437 ' HZ2' ' CG ' ' C' ' 126' ' ' ASP . 8.3 pttm -60.22 -42.57 95.46 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 113.434 0.902 . . . . 10.0 113.434 -178.295 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -72.51 -33.34 66.85 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.735 -0.386 . . . . 10.0 111.183 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -70.17 -37.46 75.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.245 0.545 . . . . 10.0 109.629 178.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -69.64 -40.58 76.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.559 -0.746 . . . . 10.0 110.382 179.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -59.9 -46.18 90.18 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.302 -0.408 . . . . 10.0 111.376 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 50.8 tp -59.88 -42.46 93.79 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.07 0.462 . . . . 10.0 110.169 179.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.89 -35.33 80.33 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.036 179.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 7.1 tmm_? -64.87 -42.53 94.77 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 115.772 -0.649 . . . . 10.0 110.583 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 17.5 m -64.83 -27.36 68.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.067 0.461 . . . . 10.0 110.532 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 11.2 m-30 -85.45 -39.22 17.76 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.057 -0.52 . . . . 10.0 110.572 178.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 98.59 25.76 9.72 Favored Glycine 0 N--CA 1.448 -0.541 0 N-CA-C 110.975 -0.85 . . . . 10.0 110.975 -179.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 47.8 pt -114.91 150.42 44.1 Favored Pre-proline 0 C--N 1.326 -0.44 0 N-CA-C 110.36 -0.237 . . . . 10.0 110.36 -179.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -74.43 147.72 37.04 Favored 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 122.507 2.138 . . . . 10.0 112.044 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -128.13 125.88 40.0 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.097 -0.501 . . . . 10.0 110.28 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 78.4 mt -131.09 129.86 63.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.356 -0.384 . . . . 10.0 110.948 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -79.2 128.18 32.98 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.765 -0.828 . . . . 10.0 108.765 178.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 5.3 p -136.37 176.84 8.33 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.902 0.704 . . . . 10.0 112.902 -177.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 6.9 t -161.84 131.87 4.79 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 108.118 -1.068 . . . . 10.0 108.118 178.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -73.48 -27.27 61.3 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.051 0.453 . . . . 10.0 110.977 -179.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 49.5 mttt -70.48 -44.06 68.5 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.827 -0.624 . . . . 10.0 111.551 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 53.9 p -82.41 -27.59 31.92 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.646 -179.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 12.1 tpt180 67.33 23.09 9.35 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 122.221 1.01 . . . . 10.0 108.729 -178.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -89.33 115.57 26.9 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.795 -1.093 . . . . 10.0 111.413 -178.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 77.2 -2.66 60.72 Favored Glycine 0 CA--C 1.52 0.349 0 CA-C-N 116.065 -0.516 . . . . 10.0 113.911 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 37.9 t -66.75 -38.53 81.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.834 0.35 . . . . 10.0 111.482 -179.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -66.95 -45.55 77.43 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.096 0.474 . . . . 10.0 110.837 -179.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -70.95 -27.47 63.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.974 -0.557 . . . . 10.0 112.02 -178.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -56.91 -45.38 82.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.977 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -73.03 -35.77 66.83 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.125 -0.489 . . . . 10.0 111.093 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -62.4 -47.65 83.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.968 -0.56 . . . . 10.0 111.739 -179.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 27.4 m -61.96 -34.87 76.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.57 -0.286 . . . . 10.0 111.323 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 64.0 tp -60.85 -44.58 96.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.301 0.572 . . . . 10.0 109.538 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 78.9 t -67.67 -39.99 83.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.387 -0.824 . . . . 10.0 110.281 179.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 54.2 mtm-85 -63.04 -35.23 79.56 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.825 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 47.8 mm-40 -65.34 -34.78 79.12 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.72 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 54.7 mt -67.7 -42.17 86.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 108.749 -0.834 . . . . 10.0 108.749 178.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -61.54 -39.95 92.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.152 -0.931 . . . . 10.0 110.145 179.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 28.6 ttmt -62.21 -46.98 86.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.718 -0.674 . . . . 10.0 110.646 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 22.0 t-80 -62.13 -47.24 85.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.973 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 C--N 1.329 -0.289 0 N-CA-C 111.974 0.361 . . . . 10.0 111.974 -179.84 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 21.5 tttm . . . . . 0 N--CA 1.454 -0.244 0 CA-C-O 120.823 0.344 . . . . 10.0 110.256 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 79.8 mt -63.23 -38.35 90.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 10.0 111.169 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 27.4 mt -63.55 -34.11 77.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.294 0.569 . . . . 10.0 110.183 179.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -72.61 -47.32 48.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.429 -0.805 . . . . 10.0 110.01 179.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -61.72 -39.62 92.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.802 -0.636 . . . . 10.0 109.698 179.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 28.8 t90 -61.94 -33.67 74.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.348 -0.842 . . . . 10.0 110.319 178.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -61.55 -48.85 79.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.961 0.41 . . . . 10.0 110.607 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 49.8 m -59.71 -41.38 90.68 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.478 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 59.8 t -65.89 -39.38 84.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.181 0.515 . . . . 10.0 109.713 178.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 94.1 m -61.55 -45.73 92.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.773 -0.649 . . . . 10.0 109.792 178.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 20.2 m -63.66 -31.2 72.3 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.178 178.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 27.2 m -66.17 -41.57 90.12 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 109.139 -0.689 . . . . 10.0 109.139 178.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -61.96 -40.32 95.17 Favored 'General case' 0 N--CA 1.457 -0.121 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.476 179.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 1.4 m -60.16 -52.28 66.0 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 109.679 -0.489 . . . . 10.0 109.679 179.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 43.0 mmtt -59.08 -39.23 81.5 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.708 -0.678 . . . . 10.0 110.378 179.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 43.2 mt -62.7 -46.62 87.31 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-N 115.646 -0.706 . . . . 10.0 110.776 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 11.3 mtp180 -63.27 -38.06 89.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.391 -0.368 . . . . 10.0 110.717 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -64.46 -31.26 72.39 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 116.253 -0.431 . . . . 10.0 110.644 179.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -85.73 -39.04 17.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.299 179.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 35.8 mt -56.19 -40.64 74.27 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.858 -0.61 . . . . 10.0 111.716 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -50.9 -67.49 1.91 Allowed Glycine 0 CA--C 1.52 0.359 0 C-N-CA 121.11 -0.567 . . . . 10.0 111.756 179.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -54.04 -40.78 79.95 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 123.009 2.473 . . . . 10.0 111.293 178.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 24.3 t -56.34 -42.57 74.66 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-O 120.81 0.338 . . . . 10.0 110.24 179.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 14.5 m -62.23 -45.25 94.17 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.643 -0.503 . . . . 10.0 109.643 178.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -62.98 -46.21 88.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.888 -0.596 . . . . 10.0 111.063 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -62.43 -52.64 62.77 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.262 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 5.3 m-30 -61.53 -41.7 97.72 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.043 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -63.62 -38.26 90.46 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 116.629 -0.26 . . . . 10.0 110.466 179.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -61.34 -48.7 80.13 Favored 'General case' 0 CA--C 1.52 -0.179 0 N-CA-C 109.373 -0.602 . . . . 10.0 109.373 178.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 -63.99 -43.9 94.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.606 -0.724 . . . . 10.0 110.081 179.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 47.4 mt -60.06 -44.67 94.54 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 115.945 -0.571 . . . . 10.0 110.665 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -63.78 -32.18 73.59 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 116.44 -0.345 . . . . 10.0 111.269 179.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -73.52 -35.0 65.52 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.208 -0.664 . . . . 10.0 109.208 178.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -67.47 -48.87 65.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.489 -0.778 . . . . 10.0 109.063 178.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 4.4 p -65.43 -34.82 79.19 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 116.015 -0.539 . . . . 10.0 109.947 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -61.61 -44.09 97.64 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 108.49 -0.93 . . . . 10.0 108.49 177.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -61.78 -41.37 99.61 Favored Glycine 0 N--CA 1.447 -0.574 0 N-CA-C 110.429 -1.068 . . . . 10.0 110.429 178.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 94.8 mt -65.48 -34.45 78.3 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-O 120.896 0.379 . . . . 10.0 110.399 178.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 49.9 mtt180 -68.38 -36.55 79.33 Favored 'General case' 0 CA--C 1.519 -0.243 0 N-CA-C 109.358 -0.608 . . . . 10.0 109.358 178.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -69.93 -41.24 74.87 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 108.41 -0.959 . . . . 10.0 108.41 177.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -67.16 -26.87 66.87 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-N 115.235 -0.893 . . . . 10.0 110.265 178.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 39.1 ttm -58.06 -36.01 72.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.91 0.386 . . . . 10.0 110.172 178.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 17.7 m -74.81 8.21 2.6 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.409 -0.814 . . . . 10.0 111.125 179.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -132.13 -57.46 0.97 Allowed 'General case' 0 C--O 1.22 -0.496 0 CA-C-N 115.809 -0.632 . . . . 10.0 109.493 179.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 246' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -57.24 -59.91 4.41 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.524 -0.762 . . . . 10.0 111.228 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . 95.1 mt -76.88 -36.34 56.79 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.18 -0.464 . . . . 10.0 111.579 -179.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -65.75 -47.71 74.32 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.264 0.468 . . . . 10.0 112.264 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -69.56 -30.8 68.67 Favored 'General case' 0 CA--C 1.517 -0.309 0 C-N-CA 121.208 -0.197 . . . . 10.0 110.83 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 250' ' ' VAL . . . . . . . . . . . . . 1.4 p -70.67 -30.16 41.1 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.339 0 C-N-CA 120.577 -0.449 . . . . 10.0 110.485 179.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -81.25 -34.2 32.27 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.159 0.504 . . . . 10.0 110.124 178.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -73.17 -44.27 60.2 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.063 179.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -80.32 -18.39 49.33 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.786 -0.643 . . . . 10.0 112.033 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 254' ' ' VAL . . . . . . . . . . . . . 1.2 p -63.53 -26.33 40.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 C-N-CA 120.859 -0.337 . . . . 10.0 110.623 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -61.82 -63.56 4.12 Favored Pre-proline 0 CA--C 1.539 0.555 0 CA-C-N 116.416 -0.356 . . . . 10.0 110.557 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -65.92 -32.67 44.69 Favored 'Trans proline' 0 C--N 1.359 1.126 0 C-N-CA 121.449 1.433 . . . . 10.0 111.582 178.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 4.8 m-30 -61.62 -56.09 23.62 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 120.882 0.373 . . . . 10.0 110.285 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 19.3 mt -67.72 -40.25 84.26 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.983 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -57.65 -45.13 85.91 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 116.477 -0.329 . . . . 10.0 111.073 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 260' ' ' ASP . . . . . 0.479 ' CG ' ' HZ3' ' A' ' 264' ' ' LYS . 38.2 t70 -64.8 -50.95 64.74 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.132 -0.485 . . . . 10.0 111.115 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -63.2 -37.34 86.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.895 0.378 . . . . 10.0 111.019 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -67.14 -43.11 83.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.105 -0.498 . . . . 10.0 109.769 178.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.36 -41.47 89.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.995 -0.548 . . . . 10.0 109.804 179.019 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 264' ' ' LYS . . . . . 0.479 ' HZ3' ' CG ' ' A' ' 260' ' ' ASP . 42.7 mttp -62.6 -41.38 98.94 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 108.981 -0.748 . . . . 10.0 108.981 178.614 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 1.6 m95 -65.91 -34.74 78.81 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.396 -0.82 . . . . 10.0 110.148 178.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -59.38 -48.75 80.47 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 108.817 -0.808 . . . . 10.0 108.817 178.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -61.84 -44.41 96.89 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.333 -0.849 . . . . 10.0 109.376 178.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -58.78 -46.06 88.38 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.877 179.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 93.0 mmm -65.68 -43.87 87.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.101 -0.5 . . . . 10.0 110.793 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -62.19 -46.8 87.31 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.466 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 83.5 mt -62.97 -41.64 99.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 10.0 110.197 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -64.47 -41.45 96.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.96 179.256 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 86.6 mtt180 -72.36 -37.26 68.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.001 0.429 . . . . 10.0 111.356 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -65.0 -33.61 76.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.925 -0.58 . . . . 10.0 110.117 178.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 275' ' ' LYS . . . . . . . . . . . . . 9.9 mptt -87.18 -37.89 16.89 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.828 -0.624 . . . . 10.0 111.138 179.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 2.8 p -56.24 -32.35 34.64 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.141 0 N-CA-C 112.202 0.445 . . . . 10.0 112.202 -179.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -60.98 -63.71 3.99 Favored Pre-proline 0 CA--C 1.538 0.493 0 C-N-CA 121.033 -0.267 . . . . 10.0 111.262 179.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -66.18 -34.77 35.38 Favored 'Trans proline' 0 C--N 1.355 0.885 0 C-N-CA 121.74 1.627 . . . . 10.0 112.119 178.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 14.8 mt -63.83 -40.95 97.81 Favored 'General case' 0 C--N 1.334 -0.075 0 C-N-CA 120.775 -0.37 . . . . 10.0 110.675 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -68.46 -31.26 70.43 Favored 'General case' 0 CA--C 1.522 -0.131 0 N-CA-C 108.921 -0.77 . . . . 10.0 108.921 178.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -68.44 -46.88 68.66 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 108.852 -0.795 . . . . 10.0 108.852 178.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -60.58 -44.95 95.63 Favored 'General case' 0 C--O 1.227 -0.117 0 CA-C-N 115.828 -0.624 . . . . 10.0 109.617 178.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 34.3 mt -63.83 -42.0 97.72 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.352 179.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -58.14 -58.41 8.55 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.632 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -64.24 -38.84 92.47 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.907 -0.588 . . . . 10.0 111.113 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -61.43 -42.39 99.76 Favored Glycine 0 N--CA 1.444 -0.798 0 N-CA-C 111.298 -0.721 . . . . 10.0 111.298 178.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -69.39 -36.91 77.25 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.692 -0.485 . . . . 10.0 109.692 178.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 69.6 mtt180 -59.29 -48.38 81.84 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.226 179.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 11.0 tm0? -60.98 -50.16 74.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.683 -0.69 . . . . 10.0 110.584 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 44.8 mttp -61.87 -41.36 97.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.073 -0.512 . . . . 10.0 111.388 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 25.8 mt -66.71 -40.52 88.46 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.719 -0.219 . . . . 10.0 110.938 179.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -63.34 -45.4 91.41 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 110.142 -0.318 . . . . 10.0 110.142 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.31 -41.26 96.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.071 -0.513 . . . . 10.0 109.948 178.597 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 41.7 mt -67.43 -41.91 84.04 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.048 -0.524 . . . . 10.0 110.806 179.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -63.95 -37.84 88.88 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.374 -0.375 . . . . 10.0 110.719 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -66.34 -9.72 35.94 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.648 -0.705 . . . . 10.0 111.049 179.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -110.98 -39.01 4.92 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.001 178.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 53.8 mt -58.82 -28.02 65.62 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.159 -0.473 . . . . 10.0 111.961 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 299' ' ' SER . . . . . . . . . . . . . 11.5 m -84.11 -64.92 0.23 Allowed Pre-proline 0 CA--C 1.541 0.623 0 N-CA-C 112.288 0.477 . . . . 10.0 112.288 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 300' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_exo -59.42 -48.12 14.55 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 122.485 2.123 . . . . 10.0 112.205 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 94.6 mt -72.49 -30.31 64.42 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.648 -0.501 . . . . 10.0 109.648 179.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -66.19 -49.06 59.93 Favored Glycine 0 N--CA 1.444 -0.814 0 N-CA-C 110.514 -1.034 . . . . 10.0 110.514 178.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -62.73 -38.78 91.83 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 109.534 -0.543 . . . . 10.0 109.534 178.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -62.99 -41.68 99.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.436 -0.802 . . . . 10.0 109.884 178.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 6.4 tpt -67.39 -39.39 85.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.955 -0.566 . . . . 10.0 109.845 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 75.8 mtt180 -68.45 -38.36 81.06 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.532 -0.544 . . . . 10.0 109.532 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -65.39 -42.11 92.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.626 -0.716 . . . . 10.0 109.562 178.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -69.96 -31.48 69.22 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.463 -0.79 . . . . 10.0 109.8 178.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -63.61 -35.88 81.98 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.338 -0.616 . . . . 10.0 109.338 178.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 310' ' ' ARG . . . . . . . . . . . . . 67.1 mtt180 -60.16 -49.26 78.32 Favored 'General case' 0 C--O 1.223 -0.336 0 N-CA-C 108.756 -0.831 . . . . 10.0 108.756 178.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -64.87 -40.68 95.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.466 179.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -56.77 -54.13 49.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.808 -0.633 . . . . 10.0 109.941 179.373 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 52.0 t -72.82 -34.16 45.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.859 -0.609 . . . . 10.0 111.717 -179.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -64.36 -45.81 86.12 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 122.263 -0.273 . . . . 10.0 110.582 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -62.47 -37.06 84.47 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.019 -0.734 . . . . 10.0 109.019 178.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 26.0 mt -68.45 -42.69 78.47 Favored 'General case' 0 C--O 1.218 -0.598 0 CA-C-N 115.483 -0.78 . . . . 10.0 110.15 178.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 11.9 mtm105 -63.56 -41.32 98.41 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.991 0.424 . . . . 10.0 110.689 179.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 4.7 m -68.42 -18.66 64.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.478 0.656 . . . . 10.0 110.293 179.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -93.23 -40.53 10.4 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.554 -0.748 . . . . 10.0 109.746 178.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 75.9 mt -67.72 -33.66 75.33 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.818 -0.628 . . . . 10.0 111.478 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -53.38 -59.25 9.79 Favored Pre-proline 0 CA--C 1.537 0.475 0 N-CA-C 112.025 0.38 . . . . 10.0 112.025 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -72.72 -33.72 7.85 Favored 'Trans proline' 0 C--N 1.353 0.814 0 C-N-CA 121.589 1.526 . . . . 10.0 111.806 178.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 7.7 m-30 -65.43 -39.39 92.04 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 112.03 0.381 . . . . 10.0 112.03 -179.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 50.0 p -65.9 -38.3 88.35 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.933 -0.395 . . . . 10.0 109.933 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -67.62 -36.81 81.52 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.57 -0.53 . . . . 10.0 109.57 178.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 71.7 mt-10 -66.09 -34.37 77.91 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 108.507 -0.923 . . . . 10.0 108.507 177.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 15.6 mt -66.07 -37.58 86.15 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 108.793 -0.817 . . . . 10.0 108.793 177.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 85.9 mtt180 -65.35 -44.67 86.94 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 108.404 -0.961 . . . . 10.0 108.404 178.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -62.63 -39.85 95.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.733 -0.667 . . . . 10.0 109.524 178.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 27.0 mtt180 -61.91 -53.83 50.29 Favored 'General case' 0 C--O 1.223 -0.329 0 CA-C-N 115.75 -0.659 . . . . 10.0 109.705 178.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 64.4 mt -60.97 -37.92 84.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.936 -0.575 . . . . 10.0 111.242 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -63.4 -51.97 63.59 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.994 -0.373 . . . . 10.0 109.994 178.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -62.06 -44.98 95.52 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.58 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 39.8 mtt180 -60.19 -48.78 80.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.007 -0.542 . . . . 10.0 111.034 179.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 49.0 mt -68.0 -27.75 66.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.35 -0.386 . . . . 10.0 111.322 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -69.16 -43.68 73.79 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.082 -0.711 . . . . 10.0 109.082 178.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -68.0 -48.55 65.46 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.586 -0.734 . . . . 10.0 109.615 178.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 75.0 mt -63.32 -23.03 67.24 Favored 'General case' 0 C--O 1.223 -0.307 0 CA-C-N 115.761 -0.654 . . . . 10.0 111.346 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -72.12 -47.05 54.04 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 110.017 -0.364 . . . . 10.0 110.017 179.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -71.83 -47.71 51.29 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 120.98 0.419 . . . . 10.0 110.177 179.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -62.25 -41.04 98.09 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.778 -0.646 . . . . 10.0 109.764 178.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -64.06 -43.07 97.82 Favored Glycine 0 N--CA 1.45 -0.391 0 N-CA-C 111.385 -0.686 . . . . 10.0 111.385 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -61.83 -43.25 99.48 Favored Glycine 0 C--N 1.33 0.207 0 N-CA-C 110.788 -0.925 . . . . 10.0 110.788 178.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -63.49 -45.18 91.88 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.527 -0.546 . . . . 10.0 109.527 178.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 28.0 mtm180 -64.01 -37.46 87.52 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 115.961 -0.563 . . . . 10.0 111.005 179.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 20.0 mt -61.84 -46.69 88.38 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.847 -0.427 . . . . 10.0 109.847 179.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.18 -41.8 97.45 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.59 -0.522 . . . . 10.0 109.59 178.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -65.97 -40.89 91.67 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.687 -0.688 . . . . 10.0 110.628 178.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -61.63 -43.84 98.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.239 -0.437 . . . . 10.0 110.546 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 69.0 m-70 -68.31 -37.52 80.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 10.0 109.992 179.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -63.39 -44.26 95.23 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 109.527 -0.546 . . . . 10.0 109.527 178.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 13.5 mttm -68.13 -40.65 82.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.541 -0.754 . . . . 10.0 110.093 179.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.52 -37.42 78.29 Favored 'General case' 0 C--O 1.225 -0.235 0 N-CA-C 109.67 -0.492 . . . . 10.0 109.67 178.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 83.1 m -64.98 -40.36 94.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.901 -0.59 . . . . 10.0 109.809 178.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -69.26 -35.73 76.39 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 116.262 -0.427 . . . . 10.0 110.188 178.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -69.58 -35.88 75.76 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.05 -0.722 . . . . 10.0 109.05 178.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 23.0 mt -70.83 -41.13 71.93 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.973 -0.558 . . . . 10.0 111.879 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 4.1 p -64.84 -41.24 95.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.918 0.39 . . . . 10.0 110.815 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 3.0 p -74.19 -29.05 61.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.309 -0.405 . . . . 10.0 109.991 178.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 27.4 tp -64.98 -31.18 72.3 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 115.429 -0.805 . . . . 10.0 109.266 178.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 4.9 m -60.13 -35.64 75.72 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.324 -0.398 . . . . 10.0 109.997 178.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -66.53 -25.7 66.79 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.281 0.562 . . . . 10.0 110.14 178.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 363' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -89.61 -32.05 17.28 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.872 -0.603 . . . . 10.0 110.252 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -82.06 -28.11 32.59 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.886 0.698 . . . . 10.0 112.886 -178.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -107.51 -75.19 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 N-CA-C 112.83 0.678 . . . . 10.0 112.83 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -57.29 -56.78 1.6 Allowed 'Trans proline' 0 C--N 1.356 0.931 0 C-N-CA 122.141 1.894 . . . . 10.0 112.925 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 367' ' ' ALA . . . . . . . . . . . . . . . -59.46 -48.57 81.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.608 -0.269 . . . . 10.0 111.705 -179.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 1.7 mt -61.81 -42.26 98.8 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 111.78 0.289 . . . . 10.0 111.78 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -64.39 -43.85 93.18 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.902 -0.319 . . . . 10.0 110.402 179.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -61.21 -42.8 99.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.284 0.564 . . . . 10.0 109.947 178.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 72.7 mt -64.52 -44.38 91.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.6 -0.727 . . . . 10.0 110.361 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 -65.91 -44.58 84.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.29 -0.414 . . . . 10.0 111.01 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -64.21 -24.68 67.76 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.512 179.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -89.08 -32.49 10.62 Favored Glycine 0 N--CA 1.446 -0.678 0 N-CA-C 111.003 -0.839 . . . . 10.0 111.003 178.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 29.4 mt -65.83 -33.59 76.2 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 122.885 -0.185 . . . . 10.0 110.898 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 72.0 mt -54.08 -62.42 3.9 Favored Pre-proline 0 CA--C 1.538 0.481 0 N-CA-C 112.274 0.472 . . . . 10.0 112.274 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_endo -63.6 -33.12 68.49 Favored 'Trans proline' 0 C--N 1.355 0.888 0 C-N-CA 121.778 1.652 . . . . 10.0 111.962 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 41.1 t -65.23 -48.38 83.73 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 N-CA-C 109.872 -0.418 . . . . 10.0 109.872 179.058 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 35.0 mt -63.62 -36.88 85.29 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.545 -0.539 . . . . 10.0 109.545 178.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -63.7 -49.41 73.23 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.315 -0.402 . . . . 10.0 110.908 179.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 1.6 p -63.37 -33.9 76.55 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.231 0.538 . . . . 10.0 109.641 178.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -68.51 -36.63 79.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.564 -0.744 . . . . 10.0 109.693 178.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -58.51 -48.84 79.49 Favored 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 109.221 -0.659 . . . . 10.0 109.221 178.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 17.7 t -62.13 -44.63 99.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.814 -0.63 . . . . 10.0 109.598 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 36.2 m -61.38 -40.2 93.47 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.979 179.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -68.44 -43.11 77.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.407 -0.36 . . . . 10.0 110.312 179.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 86.1 mt -57.5 -47.22 82.53 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.521 179.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 2.4 p -65.5 -38.29 89.3 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.422 -0.354 . . . . 10.0 110.478 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -61.76 -44.19 97.38 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.367 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 74.0 mt -60.22 -46.4 89.9 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 115.88 -0.6 . . . . 10.0 109.957 179.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -59.66 -42.96 94.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.595 -0.729 . . . . 10.0 111.039 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -57.56 -44.98 85.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.891 0.377 . . . . 10.0 110.964 179.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -65.35 -43.52 90.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.14 0.495 . . . . 10.0 110.562 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 20.4 m -67.05 -32.1 73.06 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.98 -0.554 . . . . 10.0 112.122 -179.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -79.76 -39.59 30.65 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.699 0.629 . . . . 10.0 112.699 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -89.07 -29.52 19.36 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 114.129 1.159 . . . . 10.0 114.129 -177.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 32.2 mt -100.03 -14.37 18.67 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.849 0.685 . . . . 10.0 112.849 -178.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 58.1 t30 . . . . . 0 C--N 1.324 -0.508 0 CA-C-O 120.535 0.207 . . . . 10.0 111.145 -179.221 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 1.5 mm? . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.948 0.404 . . . . 10.0 110.938 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 26.9 mtpt -107.65 14.39 25.7 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.084 -0.507 . . . . 10.0 109.959 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 80.6 mt -62.21 -41.95 98.85 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.506 -0.77 . . . . 10.0 110.464 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 84.5 mt -61.3 -39.77 91.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.808 -0.633 . . . . 10.0 111.152 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -63.23 -47.7 81.36 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.829 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -68.1 -46.98 69.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.983 0.421 . . . . 10.0 110.834 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -38.82 81.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.785 -0.643 . . . . 10.0 111.636 -179.445 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -60.82 -46.41 90.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.396 -0.365 . . . . 10.0 110.761 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 2.5 m -63.42 -34.65 78.21 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-O 120.937 0.398 . . . . 10.0 110.522 179.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 93.6 t -67.24 -37.98 80.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 N-CA-C 108.196 -1.038 . . . . 10.0 108.196 178.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 55.9 m -60.71 -42.91 98.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.363 -0.835 . . . . 10.0 109.349 178.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.28 -41.53 89.13 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.783 -0.644 . . . . 10.0 110.061 178.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 41.7 m -63.51 -39.5 94.6 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.556 -0.747 . . . . 10.0 110.115 179.035 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 11.8 m-30 -64.2 -42.92 96.43 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 116.132 -0.486 . . . . 10.0 109.695 178.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 13.5 m -64.0 -40.43 96.34 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.577 -0.527 . . . . 10.0 109.577 178.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 25.0 mmtm -64.16 -30.74 71.79 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 116.07 -0.514 . . . . 10.0 109.893 178.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 43.1 mt -68.81 -37.58 79.33 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 108.822 -0.807 . . . . 10.0 108.822 177.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -70.19 -34.45 72.98 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 109.411 -0.588 . . . . 10.0 109.411 178.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -64.22 -25.89 68.27 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-N 115.334 -0.848 . . . . 10.0 109.272 178.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -85.02 -55.88 3.84 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 108.459 -0.941 . . . . 10.0 108.459 177.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 87.3 mt -45.05 -47.82 11.77 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.173 -0.921 . . . . 10.0 112.998 -179.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -53.24 -78.07 0.12 Allowed Glycine 0 CA--C 1.522 0.49 0 C-N-CA 121.172 -0.537 . . . . 10.0 112.96 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -54.93 -37.69 93.14 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.942 2.428 . . . . 10.0 112.769 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 22.1 t -62.35 -49.91 82.03 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.349 0 O-C-N 123.258 0.349 . . . . 10.0 111.656 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 30.5 p -64.68 -33.17 75.32 Favored 'General case' 0 C--O 1.223 -0.306 0 C-N-CA 120.537 -0.465 . . . . 10.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -60.63 -50.06 75.02 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.898 0.38 . . . . 10.0 110.395 179.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -77.48 -32.14 54.11 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.294 -0.412 . . . . 10.0 110.52 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -66.05 -37.79 86.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.526 -0.306 . . . . 10.0 110.25 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 3.1 m0 -62.29 -42.91 99.76 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.153 -0.684 . . . . 10.0 109.153 178.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -67.63 -37.16 82.06 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.149 -0.686 . . . . 10.0 109.149 178.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -61.46 -44.11 97.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.647 -0.706 . . . . 10.0 109.139 177.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 59.9 mt -64.44 -34.8 79.04 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 115.474 -0.784 . . . . 10.0 109.184 178.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -68.7 -38.27 80.14 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 115.475 -0.784 . . . . 10.0 109.404 178.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 53.7 mttp -59.53 -43.75 93.39 Favored 'General case' 0 C--O 1.233 0.223 0 N-CA-C 108.29 -1.004 . . . . 10.0 108.29 177.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -63.2 -51.79 64.91 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.005 -0.998 . . . . 10.0 110.256 179.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -60.04 -45.04 94.15 Favored 'General case' 0 C--O 1.221 -0.407 0 N-CA-C 111.764 0.283 . . . . 10.0 111.764 -179.601 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -61.15 -44.97 96.49 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.038 0.447 . . . . 10.0 110.163 178.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -64.39 -46.65 89.94 Favored Glycine 0 N--CA 1.448 -0.537 0 N-CA-C 110.726 -0.95 . . . . 10.0 110.726 178.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.03 -30.58 71.64 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 115.636 -0.282 . . . . 10.0 110.806 179.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 73.3 mtt180 -64.33 -39.2 93.43 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.73 -0.47 . . . . 10.0 109.73 178.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -68.72 -33.89 74.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.887 -0.597 . . . . 10.0 109.486 178.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -71.76 -44.44 64.04 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.46 -0.791 . . . . 10.0 109.33 178.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 93.5 mmm -61.57 -43.66 98.45 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.252 -0.885 . . . . 10.0 112.339 -179.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 3.7 p -62.09 -46.9 87.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.898 0.38 . . . . 10.0 110.357 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -65.55 -33.32 75.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.149 0.5 . . . . 10.0 110.798 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -73.14 -55.84 5.92 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.728 -0.669 . . . . 10.0 110.58 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 95.9 mt -59.96 -46.63 88.79 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 113.03 0.752 . . . . 10.0 113.03 -178.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -62.25 -39.26 92.3 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.704 -0.398 . . . . 10.0 110.662 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 447' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -71.27 -34.51 70.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.917 -0.583 . . . . 10.0 109.989 178.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 2.4 t -60.55 -42.83 92.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.246 -0.433 . . . . 10.0 110.198 179.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 78.3 mttt -64.22 -33.04 74.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.238 0.542 . . . . 10.0 109.716 178.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -92.07 15.13 14.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.38 -0.827 . . . . 10.0 110.939 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 42.1 mttm -129.43 -51.12 1.18 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.41 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 87.0 t -61.33 -35.82 68.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.775 0.321 . . . . 10.0 110.77 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -63.76 -62.59 5.08 Favored Pre-proline 0 CA--C 1.538 0.515 0 CA-C-N 116.561 -0.29 . . . . 10.0 111.474 179.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_endo -62.64 -33.76 76.49 Favored 'Trans proline' 0 C--N 1.355 0.877 0 C-N-CA 122.197 1.931 . . . . 10.0 112.358 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -68.87 -46.27 68.85 Favored 'General case' 0 C--O 1.224 -0.288 0 C-N-CA 121.136 -0.226 . . . . 10.0 110.523 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 11.0 mt -64.33 -36.36 83.86 Favored 'General case' 0 CA--C 1.515 -0.385 0 C-N-CA 120.708 -0.397 . . . . 10.0 110.117 179.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -63.02 -50.0 72.39 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.66 -0.496 . . . . 10.0 109.66 178.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 458' ' ' ASP . . . . . 0.457 ' CG ' ' HZ2' ' D' ' 462' ' ' LYS . 27.1 t70 -65.18 -35.81 82.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.784 -0.644 . . . . 10.0 110.805 179.03 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.91 -43.25 75.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.082 -0.508 . . . . 10.0 109.875 179.122 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -65.7 -31.66 72.79 Favored 'General case' 0 CA--C 1.519 -0.224 0 N-CA-C 109.818 -0.438 . . . . 10.0 109.818 178.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 65.9 mttt -62.88 -44.02 97.22 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 108.564 -0.902 . . . . 10.0 108.564 177.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 462' ' ' LYS . . . . . 0.457 ' HZ2' ' CG ' ' D' ' 458' ' ' ASP . 13.4 mtmm -69.65 -37.27 76.67 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.376 -0.829 . . . . 10.0 109.821 178.561 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 38.5 m0 -63.44 -39.38 94.33 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 108.937 -0.764 . . . . 10.0 108.937 178.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -63.7 -40.78 97.63 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 108.918 -0.771 . . . . 10.0 108.918 178.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 465' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -60.97 -53.93 51.26 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.273 -0.64 . . . . 10.0 109.273 178.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.04 -50.66 72.67 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.7 -0.682 . . . . 10.0 111.752 -179.482 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 70.2 mtm -61.24 -36.42 79.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.871 0.367 . . . . 10.0 111.103 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -69.4 -42.1 75.55 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.208 -0.664 . . . . 10.0 109.208 179.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 469' ' ' LEU . . . . . . . . . . . . . 94.9 mt -63.42 -26.86 68.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.282 -0.872 . . . . 10.0 110.679 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 19.3 m-30 -68.32 -27.82 66.63 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.097 0.475 . . . . 10.0 109.95 179.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 71.2 mtt85 -77.35 -22.61 51.54 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.578 -0.527 . . . . 10.0 109.578 178.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -99.58 -5.59 28.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.783 -0.644 . . . . 10.0 110.969 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 473' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -127.07 -76.17 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.321 -0.4 . . . . 10.0 111.98 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 61.9 t -49.96 -52.99 12.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 N-CA-C 113.039 0.755 . . . . 10.0 113.039 -178.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -58.14 -58.44 18.77 Favored Pre-proline 0 CA--C 1.537 0.471 0 N-CA-C 113.929 1.085 . . . . 10.0 113.929 -179.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -62.86 -34.78 70.89 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 121.968 1.779 . . . . 10.0 111.601 178.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 31.6 mt -67.95 -27.67 66.81 Favored 'General case' 0 C--O 1.225 -0.189 0 N-CA-C 109.853 -0.425 . . . . 10.0 109.853 178.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 67.5 mtt180 -71.11 -25.52 62.63 Favored 'General case' 0 CA--C 1.516 -0.347 0 N-CA-C 109.337 -0.616 . . . . 10.0 109.337 177.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -79.77 -36.65 36.83 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 107.594 -1.262 . . . . 10.0 107.594 177.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.53 -41.16 93.4 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 108.066 -1.087 . . . . 10.0 108.066 177.25 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 58.3 mt -73.53 -28.65 62.0 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 115.097 -0.956 . . . . 10.0 110.032 178.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -63.75 -55.23 24.79 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 108.299 -1.0 . . . . 10.0 108.299 178.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -64.3 -39.38 93.8 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.76 -0.654 . . . . 10.0 109.574 178.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -61.3 -41.8 99.6 Favored Glycine 0 N--CA 1.447 -0.592 0 N-CA-C 111.319 -0.712 . . . . 10.0 111.319 178.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -68.18 -41.56 81.28 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 109.404 -0.591 . . . . 10.0 109.404 178.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 60.9 mtt180 -60.7 -42.2 96.71 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.906 -0.588 . . . . 10.0 109.88 178.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -65.96 -46.44 78.11 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.509 178.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -62.75 -42.57 99.74 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.912 179.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 36.1 mt -63.97 -35.55 81.07 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.487 -0.56 . . . . 10.0 109.487 178.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 8.2 t-160 -68.85 -39.27 79.99 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 108.518 -0.919 . . . . 10.0 108.518 178.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -62.67 -39.34 93.61 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 108.627 -0.879 . . . . 10.0 108.627 177.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 96.4 mt -71.8 -41.82 67.82 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-N 115.587 -0.733 . . . . 10.0 111.322 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 493' ' ' GLN . . . . . 0.433 ' C ' ' H ' ' D' ' 495' ' ' LYS . 75.3 mt-30 -56.58 -44.22 80.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.984 0.421 . . . . 10.0 110.64 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -74.4 14.0 0.51 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.68 -0.691 . . . . 10.0 111.833 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 495' ' ' LYS . . . . . 0.433 ' H ' ' C ' ' D' ' 493' ' ' GLN . 54.5 mttp -131.74 -40.58 1.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.885 -0.598 . . . . 10.0 109.578 178.647 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 60.6 mt -70.31 -28.35 65.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.814 -0.63 . . . . 10.0 111.669 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 497' ' ' SER . . . . . . . . . . . . . 22.1 m -79.2 -62.89 0.41 Allowed Pre-proline 0 CA--C 1.536 0.408 0 C-N-CA 120.641 -0.423 . . . . 10.0 111.681 178.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 498' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_endo -62.13 -60.68 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 C-N-CA 122.032 1.821 . . . . 10.0 112.311 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 499' ' ' LEU . . . . . . . . . . . . . 5.6 mp -65.52 -26.45 67.9 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 116.751 -0.204 . . . . 10.0 110.505 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -64.39 -48.21 76.39 Favored Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 110.971 -0.852 . . . . 10.0 110.971 178.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -70.61 -29.88 66.39 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 109.138 -0.69 . . . . 10.0 109.138 178.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 502' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -66.75 -45.42 78.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.53 -0.759 . . . . 10.0 109.286 178.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 81.4 mmm -62.11 -37.94 87.03 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.16 0.505 . . . . 10.0 109.832 178.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 87.9 mtt180 -67.08 -41.87 85.62 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.755 -0.657 . . . . 10.0 109.55 178.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -64.58 -39.82 94.42 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.544 -0.753 . . . . 10.0 109.582 179.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 506' ' ' ARG . . . . . . . . . . . . . 84.3 mtt180 -62.4 -45.39 93.33 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 108.016 -1.105 . . . . 10.0 108.016 177.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -59.61 -39.94 85.9 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-N 115.371 -0.831 . . . . 10.0 109.869 179.021 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 508' ' ' ARG . . . . . . . . . . . . . 73.6 mtt180 -58.23 -46.87 85.12 Favored 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 109.435 -0.58 . . . . 10.0 109.435 178.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -65.15 -40.99 95.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.591 -0.732 . . . . 10.0 110.234 179.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 33.7 m-70 -61.2 -51.0 70.85 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.066 -0.516 . . . . 10.0 110.128 179.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 60.7 t -65.06 -37.98 81.61 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.122 0 N-CA-C 110.029 -0.36 . . . . 10.0 110.029 179.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -57.99 -44.11 86.99 Favored 'General case' 0 CA--C 1.52 -0.188 0 N-CA-C 108.966 -0.754 . . . . 10.0 108.966 178.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -67.83 -44.24 77.67 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.557 -0.747 . . . . 10.0 109.308 178.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 514' ' ' LEU . . . . . . . . . . . . . 97.7 mt -56.79 -37.9 71.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.101 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 515' ' ' ARG . . . . . . . . . . . . . 64.1 mtt180 -65.81 -30.27 70.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.909 0.385 . . . . 10.0 110.853 179.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.18 0.59 46.16 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 116.092 -0.504 . . . . 10.0 111.229 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 23.3 m170 -111.45 -54.93 2.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.129 0.49 . . . . 10.0 110.952 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 56.2 mt -75.46 -52.51 10.54 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.845 -0.616 . . . . 10.0 112.144 -178.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 519' ' ' ALA . . . . . . . . . . . . . . . -52.75 -55.88 28.58 Favored Pre-proline 0 N--CA 1.468 0.428 0 N-CA-C 113.025 0.75 . . . . 10.0 113.025 -178.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 520' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_exo -60.73 -41.33 47.41 Favored 'Trans proline' 0 C--N 1.354 0.85 0 C-N-CA 121.793 1.662 . . . . 10.0 111.388 179.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -65.65 -31.47 72.51 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.811 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 74.7 m -63.47 -35.48 80.58 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.657 -0.497 . . . . 10.0 109.657 178.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -67.1 -39.84 86.78 Favored 'General case' 0 C--O 1.231 0.092 0 N-CA-C 109.03 -0.73 . . . . 10.0 109.03 178.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.43 -39.32 88.87 Favored 'General case' 0 C--O 1.232 0.181 0 N-CA-C 108.96 -0.756 . . . . 10.0 108.96 177.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 62.7 mt -64.59 -34.38 78.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.475 -0.784 . . . . 10.0 109.984 178.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 526' ' ' ARG . . . . . . . . . . . . . 91.6 mtt180 -62.59 -43.2 99.39 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 108.97 -0.752 . . . . 10.0 108.97 178.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -63.2 -41.7 99.21 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.455 -0.793 . . . . 10.0 109.91 179.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 528' ' ' ARG . . . . . . . . . . . . . 47.9 mtt180 -67.54 -40.2 85.01 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.771 -0.65 . . . . 10.0 109.782 179.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 20.3 mt -64.33 -39.43 93.89 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.65 -0.5 . . . . 10.0 109.65 178.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -61.87 -40.14 94.36 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.138 179.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -74.42 -41.06 61.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.238 179.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 10.8 ttm180 -63.57 -51.0 67.26 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.325 -0.62 . . . . 10.0 109.325 179.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 71.0 mt -64.41 -28.54 69.75 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.057 -0.52 . . . . 10.0 110.21 179.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -62.95 -47.72 81.97 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 108.889 -0.782 . . . . 10.0 108.889 178.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -64.21 -37.6 88.05 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 109.207 -0.664 . . . . 10.0 109.207 179.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 85.4 mt -69.66 -24.41 63.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.803 -0.635 . . . . 10.0 111.26 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 38.6 mtmt -86.84 -39.96 15.36 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.029 0.443 . . . . 10.0 110.015 178.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -67.21 -56.99 7.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.778 -0.646 . . . . 10.0 109.376 178.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -71.57 -23.48 61.75 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.699 -0.682 . . . . 10.0 109.612 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -71.49 -43.61 52.89 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 110.021 -1.232 . . . . 10.0 110.021 178.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -64.18 -38.58 96.13 Favored Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 109.771 -1.332 . . . . 10.0 109.771 178.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -62.2 -48.26 80.79 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 108.225 -1.028 . . . . 10.0 108.225 177.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 28.3 mtt85 -59.68 -32.7 70.73 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.775 -0.648 . . . . 10.0 111.054 179.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 81.5 mt -64.0 -47.61 79.64 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.159 -0.682 . . . . 10.0 109.159 178.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -65.56 -42.59 91.68 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 115.898 -0.592 . . . . 10.0 109.638 178.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -61.77 -51.69 67.29 Favored 'General case' 0 C--O 1.22 -0.461 0 CA-C-N 115.78 -0.645 . . . . 10.0 110.361 179.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -59.28 -39.1 81.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.36 -0.382 . . . . 10.0 110.753 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 3.5 m170 -67.85 -44.68 76.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.889 0.376 . . . . 10.0 110.3 179.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -66.28 -39.64 89.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.869 -0.605 . . . . 10.0 110.281 179.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.66 -30.81 67.51 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.044 179.009 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -71.85 -43.93 64.69 Favored 'General case' 0 C--O 1.236 0.368 0 O-C-N 123.281 0.363 . . . . 10.0 110.233 179.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.03 -49.63 73.84 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 109.215 -0.661 . . . . 10.0 109.215 178.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -60.72 -38.47 85.18 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.694 -0.685 . . . . 10.0 110.116 178.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 41.4 t60 -62.37 -42.2 99.22 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.014 -0.539 . . . . 10.0 109.597 178.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 36.0 tp -64.12 -33.81 76.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.922 -0.581 . . . . 10.0 109.86 179.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 9.7 m -62.18 -48.94 77.81 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 109.323 -0.621 . . . . 10.0 109.323 178.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -67.94 -36.27 79.82 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.967 -0.56 . . . . 10.0 110.546 179.358 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 25.7 mt -62.26 -55.38 28.97 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.669 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 12.3 p -65.34 -33.65 76.47 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 120.663 0.268 . . . . 10.0 111.427 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -58.88 -36.18 74.21 Favored 'General case' 0 N--CA 1.46 0.07 0 CA-C-N 115.868 -0.605 . . . . 10.0 110.86 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 10.4 mptt -99.5 -32.35 11.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.099 -0.5 . . . . 10.0 112.317 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -58.64 -48.2 81.85 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.483 0.549 . . . . 10.0 112.483 -179.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -55.81 -59.9 10.21 Favored Pre-proline 0 CA--C 1.534 0.363 0 N-CA-C 112.407 0.521 . . . . 10.0 112.407 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -64.34 -33.92 56.98 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 122.042 1.828 . . . . 10.0 112.326 179.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -65.41 -49.05 70.69 Favored 'General case' 0 CA--C 1.52 -0.178 0 N-CA-C 110.441 -0.207 . . . . 10.0 110.441 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 37.8 mt -62.63 -40.33 96.67 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.759 -0.46 . . . . 10.0 109.759 179.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -63.84 -49.72 71.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.035 178.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.87 -38.66 89.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.657 179.294 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 21.8 mt -65.89 -46.13 79.46 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 116.176 -0.466 . . . . 10.0 110.124 178.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 68.0 mtt180 -63.26 -46.24 87.79 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 110.294 -0.261 . . . . 10.0 110.294 179.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -67.68 -19.85 65.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 10.0 111.389 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -89.96 -40.9 5.75 Favored Glycine 0 N--CA 1.446 -0.654 0 N-CA-C 110.492 -1.043 . . . . 10.0 110.492 178.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 79.1 mt -68.86 -35.22 76.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.691 -0.255 . . . . 10.0 111.621 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 67.7 mt -50.71 -63.47 1.86 Allowed Pre-proline 0 CA--C 1.536 0.417 0 N-CA-C 111.885 0.328 . . . . 10.0 111.885 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -71.56 -35.51 7.89 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 121.8 1.667 . . . . 10.0 112.46 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.16 -39.94 87.13 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.133 0 C-N-CA 120.95 -0.3 . . . . 10.0 111.535 -179.455 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 34.3 mt -70.21 -33.09 71.27 Favored 'General case' 0 CA--C 1.516 -0.336 0 N-CA-C 109.705 -0.48 . . . . 10.0 109.705 178.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -65.72 -44.51 85.82 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.983 -0.747 . . . . 10.0 108.983 178.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 15.5 m -65.43 -39.39 92.04 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 115.511 -0.768 . . . . 10.0 108.974 178.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -62.27 -39.9 94.45 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.073 -0.512 . . . . 10.0 109.861 178.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -59.26 -40.23 85.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.934 -0.576 . . . . 10.0 109.841 178.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 65.0 t -62.77 -46.58 95.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.376 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.06 -37.6 86.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.362 -0.381 . . . . 10.0 111.078 179.492 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -68.06 -41.46 81.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.292 -0.413 . . . . 10.0 110.637 179.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 36.8 mt -62.14 -53.66 52.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.819 179.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 3.8 p -58.68 -36.06 73.61 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.009 0.433 . . . . 10.0 110.598 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -66.8 -51.87 50.64 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 116.171 -0.468 . . . . 10.0 110.525 179.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 84.8 mt -61.02 -41.46 96.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.421 -0.354 . . . . 10.0 111.061 -179.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -60.62 -48.46 81.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 10.0 111.301 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -73.48 -31.46 63.76 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.704 0.261 . . . . 10.0 111.704 -179.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -61.02 -41.7 97.06 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.29 -0.414 . . . . 10.0 111.057 179.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.93 -32.73 72.56 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 121.039 -0.264 . . . . 10.0 111.179 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -72.69 -41.86 64.87 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.964 0.411 . . . . 10.0 110.422 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -72.37 -20.09 61.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.877 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 97.4 mt -108.98 31.39 5.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.959 -0.564 . . . . 10.0 109.962 179.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 . . . . . 0 C--N 1.326 -0.426 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.837 179.506 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.911 0.386 . . . . 10.0 110.634 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.14 130.34 41.23 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.79 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -97.61 134.41 40.86 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.306 -0.406 . . . . 10.0 111.157 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -128.31 118.55 23.44 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.019 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -88.64 115.72 26.37 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.134 0.493 . . . . 10.0 110.243 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 14.4 mt -112.25 135.14 53.29 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.632 -0.713 . . . . 10.0 110.624 -178.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 57.2 t -118.74 125.14 74.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.282 179.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 6.5 t -92.99 119.4 40.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 109.52 -0.548 . . . . 10.0 109.52 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 11.7 m -121.43 154.09 25.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.442 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 153.53 174.72 24.09 Favored Glycine 0 N--CA 1.445 -0.763 0 N-CA-C 111.081 -0.808 . . . . 10.0 111.081 -179.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.44 -172.68 1.22 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.254 0.55 . . . . 10.0 111.766 -179.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -90.89 144.25 25.88 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.682 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 76.18 8.1 85.04 Favored Glycine 0 C--N 1.322 -0.244 0 C-N-CA 120.974 -0.631 . . . . 10.0 113.947 178.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 26.8 m -79.85 -29.75 13.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 117.069 0.435 . . . . 10.0 111.864 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 111.13 26.91 4.44 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.608 -0.806 . . . . 10.0 113.578 179.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 27.1 mtmm -62.96 -47.66 82.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.36 0.6 . . . . 10.0 110.771 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 3.5 m -73.59 -35.34 65.4 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.522 -0.763 . . . . 10.0 111.081 -178.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.82 -45.54 93.39 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.398 179.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 68.8 mt -61.94 -44.71 96.2 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 120.977 0.418 . . . . 10.0 110.879 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 16.8 m -64.84 -49.41 70.7 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.704 -0.68 . . . . 10.0 112.17 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 62.0 mt -58.17 -38.11 66.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-O 120.925 0.393 . . . . 10.0 111.321 -179.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -62.62 -31.2 72.01 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.763 0.653 . . . . 10.0 112.763 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 38.3 tp -92.17 -32.45 15.1 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.081 0.467 . . . . 10.0 111.611 -179.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 49.9 mm -81.2 -66.66 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.896 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -85.17 -21.18 29.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.309 -0.405 . . . . 10.0 111.863 -177.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 67.0 70.44 0.38 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 113.708 1.003 . . . . 10.0 113.708 178.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 4.9 p80 -177.42 155.0 1.05 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.768 178.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -97.29 130.0 44.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.053 0.454 . . . . 10.0 111.345 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 3.3 m -99.93 119.54 48.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.667 -0.697 . . . . 10.0 110.325 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -90.08 -26.02 20.47 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.446 0.641 . . . . 10.0 109.391 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.29 130.9 43.89 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.368 -0.833 . . . . 10.0 110.448 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -88.07 108.58 19.31 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.944 0.402 . . . . 10.0 110.486 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -122.22 107.96 34.5 Favored Pre-proline 0 C--N 1.319 -0.756 0 CA-C-N 115.816 -0.629 . . . . 10.0 110.071 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo -68.24 86.03 0.42 Allowed 'Trans proline' 0 C--O 1.233 0.253 0 C-N-CA 122.742 2.295 . . . . 10.0 110.902 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 10.7 p -68.9 134.6 49.82 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.16 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 50.5 mm -78.61 -57.49 5.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 O-C-N 123.435 0.46 . . . . 10.0 110.334 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -156.51 101.38 2.01 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.062 -0.718 . . . . 10.0 109.062 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.84 122.65 48.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.657 -0.247 . . . . 10.0 111.219 -178.524 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 14.7 p -105.15 144.6 31.71 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.725 0.298 . . . . 10.0 110.851 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -137.65 140.44 40.85 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.461 -0.336 . . . . 10.0 110.267 -179.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -123.73 125.24 44.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.766 0.317 . . . . 10.0 110.565 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 64.4 tttt -145.88 142.46 28.8 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.466 -0.334 . . . . 10.0 110.822 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -105.56 116.19 31.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.374 -0.375 . . . . 10.0 110.664 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 11.8 m -127.47 167.22 22.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.07 -0.514 . . . . 10.0 110.728 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 42.4 t -104.87 106.07 19.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 109.858 -0.423 . . . . 10.0 109.858 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 56.7 mt -112.64 122.82 67.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.717 -179.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . 0.451 ' CB ' HH11 ' B' ' 164' ' ' ARG . 27.4 m-20 63.16 22.53 13.44 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.59 -0.732 . . . . 10.0 111.359 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.2 8.39 68.73 Favored Glycine 0 CA--C 1.52 0.347 0 C-N-CA 120.968 -0.634 . . . . 10.0 112.599 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -119.21 130.82 55.68 Favored 'General case' 0 C--N 1.322 -0.595 0 O-C-N 122.839 -0.213 . . . . 10.0 110.686 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 30.0 m -75.4 117.74 17.52 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.649 -0.871 . . . . 10.0 108.649 178.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 6.7 m -119.86 144.54 47.32 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.234 0.54 . . . . 10.0 112.456 -178.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 58.8 tp -99.42 108.2 20.62 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 107.572 -1.27 . . . . 10.0 107.572 177.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 36.8 mt -86.72 121.31 29.04 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 113.013 0.746 . . . . 10.0 113.013 -178.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -105.34 89.91 3.26 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 107.277 -1.379 . . . . 10.0 107.277 177.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 13.8 mt -92.37 142.62 12.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 112.159 0.429 . . . . 10.0 112.159 -177.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 35.3 tp -133.59 106.84 7.63 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.079 -0.509 . . . . 10.0 110.678 179.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -86.44 106.04 17.18 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.519 -0.548 . . . . 10.0 109.519 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 70.5 p -84.21 174.43 10.21 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.074 -0.512 . . . . 10.0 111.377 -178.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -97.38 134.72 40.27 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.052 0.454 . . . . 10.0 110.463 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -100.34 28.9 13.63 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.489 -0.862 . . . . 10.0 112.829 -179.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -89.12 1.65 55.29 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.424 0.154 . . . . 10.0 111.16 -179.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 68.28 -172.73 0.19 Allowed 'General case' 0 N--CA 1.466 0.351 0 O-C-N 123.818 0.699 . . . . 10.0 111.131 179.682 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 70.64 23.63 4.6 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 122.961 0.505 . . . . 10.0 111.237 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -115.56 31.9 6.41 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.667 -0.697 . . . . 10.0 111.075 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 31.6 m -54.81 -33.82 61.98 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 112.997 0.74 . . . . 10.0 112.997 -179.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.46 -48.07 8.74 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 121.077 -0.249 . . . . 10.0 111.602 -179.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 11.4 mtp -65.71 -28.66 69.22 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 112.811 0.671 . . . . 10.0 112.811 -178.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 5.9 ttp180 -60.93 -33.25 72.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.066 0.46 . . . . 10.0 111.004 -179.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -64.12 -26.99 68.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.309 -0.86 . . . . 10.0 111.763 -179.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -70.49 -65.5 0.72 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.753 0.649 . . . . 10.0 112.753 -179.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 20.3 p90 -66.99 -19.5 65.73 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 113.749 1.018 . . . . 10.0 113.749 -178.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 25.0 mtt -66.51 -29.66 69.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.352 0.596 . . . . 10.0 110.911 179.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 16.8 mtm180 -87.1 -32.6 19.84 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.939 0.4 . . . . 10.0 110.975 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 1.5 m -71.79 -44.51 63.86 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.893 -0.594 . . . . 10.0 112.018 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -75.73 151.84 41.74 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.715 -0.755 . . . . 10.0 113.181 -178.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -105.31 -53.33 2.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.407 0.622 . . . . 10.0 109.583 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -98.0 125.12 8.41 Favored Glycine 0 N--CA 1.447 -0.632 0 CA-C-N 115.584 -0.735 . . . . 10.0 111.866 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -109.13 114.38 28.05 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.185 0.517 . . . . 10.0 111.308 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 17.8 tp -92.31 106.9 18.81 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.538 -0.755 . . . . 10.0 109.656 179.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 52.5 m -85.33 98.46 10.55 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.454 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 39.7 t -99.26 123.28 51.85 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.158 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -126.82 160.69 30.16 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.807 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -94.71 124.04 38.51 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.816 -0.629 . . . . 10.0 109.526 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 19.6 pt -66.25 -16.43 20.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.712 0.291 . . . . 10.0 111.688 -179.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 18.2 p-10 -101.08 4.93 42.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.177 0.513 . . . . 10.0 110.764 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -134.54 91.73 2.82 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.959 -0.564 . . . . 10.0 109.88 179.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -57.69 -30.05 65.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.833 -0.621 . . . . 10.0 111.913 -178.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 24.0 tptp -58.93 -43.63 91.2 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.469 -0.332 . . . . 10.0 111.055 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 90.1 p -66.59 -23.4 66.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.085 0.469 . . . . 10.0 110.743 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -79.64 -37.04 36.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.834 -0.621 . . . . 10.0 109.467 178.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -70.6 -35.15 72.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.799 -0.637 . . . . 10.0 109.656 179.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -65.33 -19.51 65.99 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.684 -0.689 . . . . 10.0 111.19 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 33.3 mm -60.27 -37.33 73.39 Favored 'Isoleucine or valine' 0 C--O 1.236 0.373 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.119 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 79.9 t60 -67.65 -43.17 80.91 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 109.609 -0.515 . . . . 10.0 109.609 178.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -59.93 -45.05 93.84 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.54 -0.754 . . . . 10.0 109.888 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -57.6 -50.78 72.01 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.76 -0.655 . . . . 10.0 110.529 179.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 55.7 ttt-85 -59.34 -43.21 92.79 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.96 -0.564 . . . . 10.0 111.553 -179.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -60.0 -34.87 73.92 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.012 0.375 . . . . 10.0 112.012 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -77.94 -40.78 38.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.556 0.217 . . . . 10.0 110.969 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 96.6 mt -55.2 -45.68 77.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 CA-C-O 121.098 0.475 . . . . 10.0 110.759 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 38.0 mtmt -63.58 -26.65 68.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.746 -0.661 . . . . 10.0 112.192 -179.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 27.8 ttm180 -81.86 -43.16 18.6 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.045 0.45 . . . . 10.0 110.62 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 60.8 t -67.57 -41.69 86.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.005 -0.543 . . . . 10.0 111.791 -179.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -92.0 -6.82 50.47 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.741 0.305 . . . . 10.0 111.31 -179.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 27.0 t0 51.65 60.67 3.68 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.752 -0.658 . . . . 10.0 111.581 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 5.9 t -178.48 145.19 0.32 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.465 -0.789 . . . . 10.0 109.626 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -89.79 -21.47 22.61 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.337 -0.616 . . . . 10.0 109.337 179.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.32 88.81 7.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.615 -0.721 . . . . 10.0 110.697 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 65.3 t -132.23 128.81 21.42 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 115.96 -0.564 . . . . 10.0 109.725 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -56.8 104.87 0.15 Allowed 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.861 2.374 . . . . 10.0 111.786 179.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 59.4 mtm -135.09 149.3 50.04 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.768 -179.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 88.4 t -136.63 135.14 49.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 109.088 -0.708 . . . . 10.0 109.088 179.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 24.8 tp -95.0 123.92 38.75 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.574 -0.528 . . . . 10.0 109.574 179.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 37.3 t -133.46 131.84 57.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.896 0.379 . . . . 10.0 111.887 -178.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -104.25 136.5 13.06 Favored Glycine 0 N--CA 1.449 -0.464 0 N-CA-C 110.038 -1.225 . . . . 10.0 110.038 178.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -108.22 159.93 16.23 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 117.093 0.447 . . . . 10.0 111.458 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 72.4 mttt 64.75 33.63 10.18 Favored 'General case' 0 N--CA 1.466 0.373 0 O-C-N 123.726 0.641 . . . . 10.0 111.379 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 74.4 m -67.56 -11.95 59.24 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.713 0.634 . . . . 10.0 112.713 -179.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -86.93 -11.2 51.33 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.765 0.317 . . . . 10.0 110.464 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 81.6 mt -88.51 137.18 30.65 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.006 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_endo -77.04 173.42 14.47 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 122.92 2.413 . . . . 10.0 113.26 -178.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 46.7 m 66.02 52.68 1.17 Allowed 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.369 -0.832 . . . . 10.0 112.522 179.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 13.9 ptp180 -84.4 142.47 30.11 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.434 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 5.8 p -90.97 -47.11 7.77 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 110.213 -0.292 . . . . 10.0 110.213 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 47.8 t -80.83 110.04 15.89 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 N-CA-C 109.456 -0.572 . . . . 10.0 109.456 179.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -69.51 144.83 53.06 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.828 -0.623 . . . . 10.0 110.199 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.78 -38.48 64.51 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.883 -0.598 . . . . 10.0 112.026 -179.71 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -63.58 -51.8 63.78 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 112.57 0.581 . . . . 10.0 112.57 -178.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -64.09 -34.75 78.74 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.798 0.295 . . . . 10.0 111.798 -179.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.24 -39.2 86.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.206 0.527 . . . . 10.0 109.887 179.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -72.24 -37.77 69.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.78 -0.645 . . . . 10.0 110.825 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -62.72 -43.56 98.48 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.248 -0.433 . . . . 10.0 111.179 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 27.7 tp -61.82 -40.2 94.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.143 0.497 . . . . 10.0 110.206 179.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -67.39 -36.44 81.31 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.726 -0.67 . . . . 10.0 109.745 179.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -63.72 -38.81 92.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.624 -0.716 . . . . 10.0 109.678 178.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 22.0 t -61.96 -35.25 77.88 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.434 -0.803 . . . . 10.0 111.534 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -92.04 -16.2 26.79 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.293 0.479 . . . . 10.0 112.293 -179.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 84.27 32.1 23.68 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.641 -0.79 . . . . 10.0 112.346 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 23.0 pt -118.33 153.47 51.71 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-O 120.684 0.278 . . . . 10.0 110.815 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_endo -79.09 151.32 23.65 Favored 'Trans proline' 0 N--CA 1.463 -0.32 0 C-N-CA 122.414 2.076 . . . . 10.0 111.83 179.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -123.58 130.5 52.76 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.101 179.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 26.1 mt -130.33 132.4 64.93 Favored 'Isoleucine or valine' 0 C--O 1.237 0.416 0 CA-C-N 116.206 -0.452 . . . . 10.0 111.261 -179.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -89.35 125.9 35.32 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.943 -0.762 . . . . 10.0 108.943 178.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 60.6 p -132.07 -180.0 5.75 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.798 0.809 . . . . 10.0 112.449 -178.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 8.7 t -162.66 122.41 2.31 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 114.897 -1.047 . . . . 10.0 108.317 179.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.3 -28.39 61.16 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.946 -0.761 . . . . 10.0 108.946 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -62.0 -46.23 90.13 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.895 -1.048 . . . . 10.0 111.116 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 4.6 p -98.96 -11.06 21.93 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 112.146 0.424 . . . . 10.0 112.146 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.99 17.48 10.12 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.445 0.698 . . . . 10.0 112.564 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -87.63 137.87 31.96 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.086 -0.506 . . . . 10.0 111.32 -179.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 84.05 -14.88 41.46 Favored Glycine 0 C--N 1.332 0.313 0 CA-C-N 116.006 -0.543 . . . . 10.0 113.659 178.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 20.1 t -63.38 -37.72 80.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.661 0.267 . . . . 10.0 111.575 -178.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -61.26 -48.8 79.76 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 121.113 0.482 . . . . 10.0 110.074 179.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -63.52 -40.11 96.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.599 -0.728 . . . . 10.0 110.915 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -56.92 -50.54 72.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.373 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -69.89 -40.6 75.57 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.086 -0.506 . . . . 10.0 111.975 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 4.5 m-30 -64.89 -44.79 88.46 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.91 0.386 . . . . 10.0 110.716 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 58.7 m -65.42 -31.71 72.95 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.076 -0.511 . . . . 10.0 111.301 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 29.9 tp -61.59 -40.88 96.37 Favored 'General case' 0 C--N 1.334 -0.094 0 N-CA-C 109.548 -0.538 . . . . 10.0 109.548 178.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 79.8 t -74.14 -34.98 39.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.607 -0.724 . . . . 10.0 109.269 178.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -59.74 -42.24 92.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.435 -0.802 . . . . 10.0 110.287 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -67.97 -34.68 77.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.781 179.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 78.9 mt -62.06 -46.63 96.04 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 N-CA-C 109.145 -0.687 . . . . 10.0 109.145 178.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 164' ' ' ARG . . . . . 0.451 HH11 ' CB ' ' B' ' 47' ' ' ASP . 43.9 mtt180 -62.11 -42.67 99.46 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 115.546 -0.752 . . . . 10.0 109.037 178.533 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt . . . . . 0 N--CA 1.45 -0.458 0 CA-C-N 115.425 -0.807 . . . . 10.0 110.131 178.583 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 CA--C 1.528 0.131 0 CA-C-O 121.256 0.551 . . . . 10.0 110.65 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.02 114.43 27.73 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.9 -0.591 . . . . 10.0 109.851 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -82.37 143.21 31.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.409 -0.36 . . . . 10.0 111.331 -179.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -138.57 119.21 14.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.087 -0.506 . . . . 10.0 109.687 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 52.4 mttm -82.47 113.15 20.02 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.037 0.446 . . . . 10.0 111.473 -179.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 14.2 mt -111.51 120.85 43.5 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.758 -0.655 . . . . 10.0 110.314 -179.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 59.9 t -106.82 126.61 62.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.481 -0.327 . . . . 10.0 110.828 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 3.4 t -89.95 121.92 40.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.191 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 28.9 m -125.37 153.56 33.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.642 0.258 . . . . 10.0 110.812 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 159.86 -175.64 36.67 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.769 -0.729 . . . . 10.0 111.886 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -89.34 -167.04 1.75 Allowed 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 110.491 -0.188 . . . . 10.0 110.491 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.38 141.28 28.63 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.886 0.374 . . . . 10.0 111.502 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 79.96 1.9 88.01 Favored Glycine 0 N--CA 1.452 -0.276 0 CA-C-N 115.961 -0.563 . . . . 10.0 113.85 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 34.5 m -73.46 -32.44 36.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 N-CA-C 112.273 0.472 . . . . 10.0 112.273 -179.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 110.78 36.26 1.9 Allowed Glycine 0 C--N 1.333 0.396 0 C-N-CA 120.645 -0.788 . . . . 10.0 113.696 179.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 9.4 mtmm -64.49 -47.74 77.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.199 0.523 . . . . 10.0 109.93 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 1.6 m -66.99 -45.35 77.86 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.621 -0.718 . . . . 10.0 110.76 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.36 -54.87 30.43 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 112.463 0.542 . . . . 10.0 112.463 -179.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 46.6 mt -58.62 -38.82 78.85 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.099 0.476 . . . . 10.0 111.878 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 13.3 m -71.56 -44.71 64.05 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.071 -0.513 . . . . 10.0 111.399 -179.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.02 -34.36 66.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.908 0.385 . . . . 10.0 111.012 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -61.78 -32.93 73.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.646 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 4.0 tp -86.07 -24.57 26.27 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.195 0.522 . . . . 10.0 111.134 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 49.9 mm -91.87 -66.75 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 112.395 0.517 . . . . 10.0 112.395 -178.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -86.33 -10.83 53.68 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 112.433 0.531 . . . . 10.0 112.433 -178.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 64.26 44.3 4.43 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 113.881 1.067 . . . . 10.0 113.881 178.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -154.63 154.26 32.69 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.361 0.504 . . . . 10.0 112.361 179.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -87.88 138.56 31.35 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.856 -0.611 . . . . 10.0 110.53 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 19.2 m -89.8 155.77 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.989 0.423 . . . . 10.0 111.026 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -128.94 7.5 5.57 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.411 0.624 . . . . 10.0 109.724 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -129.63 141.96 50.83 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.456 -0.793 . . . . 10.0 109.15 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -67.56 128.77 37.68 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.824 -0.35 . . . . 10.0 110.455 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -112.97 95.0 32.41 Favored Pre-proline 0 C--O 1.237 0.44 0 CA-C-N 116.333 -0.394 . . . . 10.0 111.799 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_endo -79.37 78.04 3.86 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.696 2.264 . . . . 10.0 111.258 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.47 116.7 25.76 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.752 -0.658 . . . . 10.0 111.417 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 50.7 mm -68.3 -44.84 83.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.17 -0.678 . . . . 10.0 109.17 179.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -164.84 104.06 0.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.628 -0.715 . . . . 10.0 110.421 178.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -109.58 157.83 18.64 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.646 -0.706 . . . . 10.0 109.883 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -138.71 131.82 29.82 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.982 0.42 . . . . 10.0 111.749 -179.188 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -132.3 141.44 48.97 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.169 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.59 125.68 40.71 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.347 -0.388 . . . . 10.0 110.298 179.381 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 50.5 tttt -144.6 131.16 19.92 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.229 -0.441 . . . . 10.0 110.541 -179.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -100.01 110.35 22.66 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.9 0.381 . . . . 10.0 110.747 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 14.6 m -126.69 160.73 34.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.721 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 45.2 t -91.06 114.36 28.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.504 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 55.7 mt -122.23 121.61 64.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.968 -0.56 . . . . 10.0 109.719 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 61.58 26.03 15.82 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.766 -0.652 . . . . 10.0 111.674 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.21 -5.46 84.23 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.999 -0.62 . . . . 10.0 111.954 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -103.58 138.58 40.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.796 0.331 . . . . 10.0 110.669 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.43 105.81 15.54 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.388 -0.968 . . . . 10.0 108.388 178.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 3.8 m -110.34 143.98 39.76 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.841 0.682 . . . . 10.0 112.841 -177.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 51.7 tp -103.41 110.35 22.33 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.064 -1.088 . . . . 10.0 108.064 178.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 21.5 mt -78.46 111.14 14.18 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 112.489 0.551 . . . . 10.0 112.489 -178.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -96.56 80.0 3.08 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.084 -1.45 . . . . 10.0 107.084 177.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 7.3 mt -84.16 131.89 32.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.73 -0.668 . . . . 10.0 112.225 -176.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 24.8 tp -124.49 103.24 8.06 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.092 -0.504 . . . . 10.0 110.348 178.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -86.4 103.72 15.22 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.001 -0.545 . . . . 10.0 109.753 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 68.0 p -87.88 178.57 6.66 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.038 -0.528 . . . . 10.0 111.729 -178.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -78.3 170.89 15.89 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.75 -0.659 . . . . 10.0 110.546 178.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -136.95 18.09 3.58 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.283 -0.961 . . . . 10.0 112.809 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -98.81 9.39 43.53 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.766 0.317 . . . . 10.0 111.34 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 58.56 -157.05 0.32 Allowed 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.609 -0.723 . . . . 10.0 112.224 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 65.29 23.59 12.15 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 121.288 0.566 . . . . 10.0 110.789 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -132.3 41.6 3.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.486 -0.779 . . . . 10.0 111.054 -179.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 1.1 m -55.71 -47.53 76.7 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.295 -0.411 . . . . 10.0 111.997 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -74.98 -26.19 59.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.829 0.347 . . . . 10.0 111.786 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 24.6 ttt -75.89 -45.91 32.92 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.25 0.548 . . . . 10.0 110.119 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 68' ' ' ARG . . . . . . . . . . . . . 26.0 ttp-105 -65.17 -29.5 70.33 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.323 -0.853 . . . . 10.0 109.99 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.29 -14.23 47.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 114.993 -1.003 . . . . 10.0 111.24 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -85.45 -65.08 1.05 Allowed 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.321 0.489 . . . . 10.0 112.321 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 71' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -63.75 -15.93 59.85 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 113.67 0.989 . . . . 10.0 113.67 -178.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 25.3 mtt -65.99 -28.4 68.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.236 0.541 . . . . 10.0 110.002 178.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 21.6 mtm180 -81.25 -35.28 31.37 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.905 -0.589 . . . . 10.0 109.969 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 1.5 m -74.07 -47.5 36.17 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.09 -0.504 . . . . 10.0 110.889 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.81 137.61 48.43 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.741 -0.663 . . . . 10.0 113.843 -179.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -99.2 -42.0 7.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.263 0.554 . . . . 10.0 109.876 179.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -116.16 137.27 13.55 Favored Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 111.013 -0.835 . . . . 10.0 111.013 179.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 78' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -117.11 128.42 55.11 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.886 0.374 . . . . 10.0 111.583 -179.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 12.3 tp -97.73 104.96 17.03 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.135 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 70.2 m -81.56 85.5 6.51 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.262 0.553 . . . . 10.0 110.944 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 44.8 t -93.65 130.57 42.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.748 -0.66 . . . . 10.0 110.614 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -138.68 169.08 18.43 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.391 -0.596 . . . . 10.0 109.391 178.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -105.87 126.74 52.53 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.794 -0.447 . . . . 10.0 109.794 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 84' ' ' ILE . . . . . . . . . . . . . 20.6 pt -65.68 -14.95 17.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.895 0.379 . . . . 10.0 111.648 -179.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 28.1 p-10 -105.04 12.51 32.13 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.197 0.522 . . . . 10.0 110.369 179.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -134.02 95.52 3.45 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.055 179.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.96 -30.02 68.81 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.026 -0.534 . . . . 10.0 112.375 -179.087 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -62.51 -44.58 96.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.154 -0.476 . . . . 10.0 110.964 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 85.0 p -64.7 -27.93 69.25 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.675 0.25 . . . . 10.0 111.675 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -70.08 -37.55 75.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.971 0.415 . . . . 10.0 110.055 179.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -72.83 -30.36 63.97 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.563 -0.532 . . . . 10.0 109.563 178.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -64.56 -24.6 67.65 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.395 -0.82 . . . . 10.0 111.111 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 47.2 mm -54.26 -45.01 67.44 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-O 120.994 0.426 . . . . 10.0 110.976 179.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -70.17 -40.84 74.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.959 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -58.22 -46.67 85.48 Favored 'General case' 0 C--O 1.236 0.35 0 O-C-N 123.509 0.506 . . . . 10.0 110.793 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -65.92 -47.93 73.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.978 -0.555 . . . . 10.0 111.312 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 28.5 ttt180 -56.43 -42.29 77.81 Favored 'General case' 0 N--CA 1.462 0.16 0 O-C-N 123.434 0.459 . . . . 10.0 110.883 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -59.91 -44.12 94.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.665 -0.698 . . . . 10.0 111.556 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -67.05 -44.19 80.8 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.918 -0.313 . . . . 10.0 110.436 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 68.8 mt -56.4 -47.08 82.03 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 CA-C-O 121.138 0.494 . . . . 10.0 110.759 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 38.5 mtmt -60.32 -37.58 81.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.545 -0.752 . . . . 10.0 111.843 -179.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 13.8 ttm180 -74.47 -45.72 44.35 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.229 -0.441 . . . . 10.0 110.839 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 55.7 t -60.97 -50.57 80.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.9 -0.591 . . . . 10.0 112.398 -179.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -84.14 -10.69 57.57 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 121.128 -0.229 . . . . 10.0 111.504 -179.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 32.0 t70 54.69 56.3 6.91 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.513 0.673 . . . . 10.0 111.036 -179.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 38.8 t -153.68 139.3 17.86 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.2 -0.909 . . . . 10.0 110.009 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -81.19 -39.68 25.07 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.442 -0.577 . . . . 10.0 109.442 179.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -91.29 109.74 21.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.736 -0.666 . . . . 10.0 110.611 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 62.1 t -129.67 131.18 23.39 Favored Pre-proline 0 C--N 1.323 -0.556 0 N-CA-C 109.777 -0.453 . . . . 10.0 109.777 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -65.59 99.38 0.37 Allowed 'Trans proline' 0 C--O 1.236 0.397 0 C-N-CA 122.399 2.066 . . . . 10.0 111.407 179.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 111' ' ' MET . . . . . . . . . . . . . 36.5 mtm -133.41 154.69 50.55 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.574 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 89.7 t -131.9 132.87 61.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.87 -0.605 . . . . 10.0 109.73 179.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 14.6 tp -87.81 117.5 26.69 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.578 -0.527 . . . . 10.0 109.578 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 54.4 t -117.08 120.28 64.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 112.075 0.398 . . . . 10.0 112.075 -178.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -100.07 111.35 4.16 Favored Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 110.097 -1.201 . . . . 10.0 110.097 178.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -93.54 160.83 14.61 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 117.149 0.475 . . . . 10.0 112.029 -178.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 87.8 mttt 62.28 39.4 12.48 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.559 -0.746 . . . . 10.0 112.369 178.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 118' ' ' CYS . . . . . . . . . . . . . 97.0 m -70.26 -13.74 62.3 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.725 0.639 . . . . 10.0 112.725 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -88.76 -0.04 56.94 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.089 0.403 . . . . 10.0 112.089 -179.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 35.9 mt -84.96 134.87 40.51 Favored Pre-proline 0 C--N 1.331 -0.206 0 CA-C-N 116.5 -0.318 . . . . 10.0 110.54 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -70.11 150.29 65.89 Favored 'Trans proline' 0 C--O 1.233 0.273 0 C-N-CA 122.581 2.187 . . . . 10.0 112.392 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 15.1 m 62.18 75.81 0.39 Allowed 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.78 -0.645 . . . . 10.0 112.418 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 14.2 ptp180 -89.6 153.29 20.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.839 -0.619 . . . . 10.0 110.321 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.32 -25.22 14.31 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.889 0.376 . . . . 10.0 111.323 179.763 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 61.4 t -105.55 114.61 45.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.395 -0.366 . . . . 10.0 111.033 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -75.87 147.4 39.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.045 -0.525 . . . . 10.0 109.819 179.191 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 1.9 m -60.27 -40.15 89.33 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.191 0.519 . . . . 10.0 110.287 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 14.9 mtmt -60.17 -44.89 94.67 Favored 'General case' 0 C--O 1.219 -0.507 0 CA-C-N 115.469 -0.787 . . . . 10.0 110.927 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -68.69 -34.58 75.91 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.792 0.33 . . . . 10.0 111.072 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.99 -46.74 70.46 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.176 -0.465 . . . . 10.0 109.754 179.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -70.53 -29.3 65.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.713 179.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -61.77 -44.0 97.74 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.09 -0.708 . . . . 10.0 109.09 178.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 15.6 tp -70.61 -44.23 67.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.145 -0.934 . . . . 10.0 110.056 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.29 -38.29 86.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.404 -0.817 . . . . 10.0 111.091 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 14.8 ttm105 -58.11 -46.5 85.45 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.14 -0.482 . . . . 10.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 1.6 m -70.96 -25.22 62.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 10.0 112.024 -179.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 14.2 m-30 -88.43 -17.12 31.11 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.013 0.375 . . . . 10.0 112.013 -179.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 84.63 12.39 75.23 Favored Glycine 0 C--N 1.33 0.203 0 C-N-CA 121.04 -0.6 . . . . 10.0 112.714 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 48.1 pt -106.51 153.22 40.69 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-O 120.712 0.292 . . . . 10.0 110.96 -179.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -90.69 139.0 2.64 Favored 'Trans proline' 0 N--CA 1.456 -0.682 0 C-N-CA 122.535 2.157 . . . . 10.0 111.805 179.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -109.17 130.94 55.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.337 -0.392 . . . . 10.0 110.326 179.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 48.5 mt -127.67 131.49 69.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.373 -0.376 . . . . 10.0 110.41 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -81.97 125.2 30.5 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 108.934 -0.765 . . . . 10.0 108.934 178.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 79.8 p -132.34 -179.91 5.72 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.051 0.453 . . . . 10.0 112.045 -178.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 9.7 t -166.73 117.11 0.92 Allowed 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.111 -0.95 . . . . 10.0 109.313 178.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -70.65 -22.79 62.46 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.33 -0.618 . . . . 10.0 109.33 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -69.34 -35.72 76.2 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.159 -0.928 . . . . 10.0 111.37 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 1.1 p -107.16 -7.06 16.96 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 113.109 0.781 . . . . 10.0 113.109 -179.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 72.35 -4.33 2.06 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 121.593 0.711 . . . . 10.0 111.553 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -70.62 129.84 40.24 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.043 -0.526 . . . . 10.0 111.621 -179.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 83.67 -18.44 19.99 Favored Glycine 0 CA--C 1.517 0.209 0 CA-C-N 115.655 -0.702 . . . . 10.0 114.621 178.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 59.8 t -53.19 -52.39 31.01 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 CA-C-N 117.062 0.431 . . . . 10.0 111.633 -179.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -59.09 -47.41 85.36 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.864 -0.607 . . . . 10.0 111.68 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -59.81 -45.6 91.86 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.835 -0.62 . . . . 10.0 111.913 -178.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -57.86 -49.89 75.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.453 -0.339 . . . . 10.0 111.697 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -63.9 -45.01 91.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.416 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -63.86 -41.65 97.72 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.884 -0.598 . . . . 10.0 111.698 -179.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 89.8 m -61.2 -40.74 95.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.261 -0.427 . . . . 10.0 111.316 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 31.7 tp -59.82 -43.83 94.33 Favored 'General case' 0 CA--C 1.521 -0.137 0 CA-C-O 120.905 0.383 . . . . 10.0 111.061 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 72.1 t -63.31 -43.55 98.68 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.362 179.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 22.7 ttp180 -64.72 -33.77 76.73 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.486 -0.779 . . . . 10.0 110.923 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -63.79 -41.43 97.92 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.947 0.403 . . . . 10.0 110.19 178.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 61.4 mt -64.07 -45.69 95.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.93 -0.577 . . . . 10.0 109.503 179.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 37.3 ttm180 -63.49 -37.44 87.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.915 -0.584 . . . . 10.0 109.706 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -61.63 -51.24 69.3 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.6 -0.727 . . . . 10.0 109.863 179.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 38.2 t-80 -60.38 -49.0 79.34 Favored 'General case' 0 C--O 1.223 -0.32 0 CA-C-N 116.158 -0.473 . . . . 10.0 111.298 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 98.0 mttt . . . . . 0 C--N 1.328 -0.335 0 N-CA-C 112.388 0.514 . . . . 10.0 112.388 -179.256 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 60.6 tttm . . . . . 0 C--O 1.227 -0.13 0 N-CA-C 112.158 0.429 . . . . 10.0 112.158 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 89.0 mt -58.18 -46.97 84.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.573 -0.285 . . . . 10.0 111.568 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 75.5 mt -64.97 -43.06 93.9 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.985 0.421 . . . . 10.0 111.282 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -68.34 -43.48 77.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 10.0 111.071 -179.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -68.36 -36.16 78.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.846 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 62.2 t90 -63.95 -35.83 81.97 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.153 0.501 . . . . 10.0 110.033 178.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -59.38 -37.06 76.99 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.84 -0.618 . . . . 10.0 110.615 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 8.4 m -64.8 -37.66 88.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.011 -0.541 . . . . 10.0 110.165 178.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 9.8 t -71.81 -34.16 50.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 108.811 -0.811 . . . . 10.0 108.811 178.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 23.5 m -64.89 -47.25 78.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.54 -0.755 . . . . 10.0 111.093 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.21 -41.5 99.16 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.701 -0.481 . . . . 10.0 109.701 179.239 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 40.7 m -61.67 -47.88 83.34 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.935 -0.575 . . . . 10.0 109.748 178.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -56.1 -43.52 78.15 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 121.103 0.478 . . . . 10.0 110.334 179.142 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 17.3 m -60.11 -49.53 77.28 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.537 -0.756 . . . . 10.0 110.765 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 31.3 mttt -68.8 -34.05 74.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.748 0.308 . . . . 10.0 111.172 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 50.0 mt -61.93 -42.85 99.57 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.637 -0.505 . . . . 10.0 109.637 178.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 64.0 mtt180 -69.39 -32.83 72.1 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.231 179.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -64.41 -39.85 94.63 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.668 -0.494 . . . . 10.0 109.668 178.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -77.38 -30.22 53.59 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.679 -0.691 . . . . 10.0 110.216 178.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 4.4 mt -58.16 -31.36 67.16 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.842 -0.617 . . . . 10.0 111.228 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -57.49 -68.37 1.73 Allowed Glycine 0 CA--C 1.52 0.345 0 N-CA-C 110.523 -1.031 . . . . 10.0 110.523 178.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -53.97 -36.9 85.46 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.758 2.306 . . . . 10.0 111.046 177.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 26.8 t -58.15 -51.66 68.27 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.093 0 CA-C-N 116.486 -0.324 . . . . 10.0 110.602 179.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 2.8 p -68.73 -29.94 68.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.013 0.435 . . . . 10.0 110.81 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -66.21 -51.54 56.7 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.272 -0.422 . . . . 10.0 110.777 178.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -67.7 -40.05 84.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.164 179.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -61.12 -44.94 96.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.304 179.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -65.63 -38.13 88.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.552 179.516 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -63.74 -45.06 91.56 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.774 -0.648 . . . . 10.0 110.038 179.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -69.91 -35.93 74.97 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.437 179.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 15.8 mt -64.9 -38.99 92.82 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.956 -0.757 . . . . 10.0 108.956 177.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -63.43 -32.71 74.23 Favored 'General case' 0 C--O 1.225 -0.197 0 CA-C-N 115.753 -0.658 . . . . 10.0 110.39 178.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 47.2 mttt -68.16 -41.41 81.57 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 108.575 -0.898 . . . . 10.0 108.575 178.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.75 -48.12 70.13 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.489 -0.778 . . . . 10.0 110.47 179.189 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 15.9 p -64.12 -40.92 97.22 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.362 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -59.67 -46.05 90.22 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.452 -0.574 . . . . 10.0 109.452 178.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -60.21 -48.04 88.07 Favored Glycine 0 N--CA 1.443 -0.872 0 N-CA-C 109.712 -1.355 . . . . 10.0 109.712 178.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 88.6 mt -60.82 -31.2 70.61 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.543 0.211 . . . . 10.0 111.164 179.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 49.6 mtt180 -67.64 -42.39 82.36 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.564 -0.532 . . . . 10.0 109.564 178.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -71.39 -39.69 71.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.619 0.723 . . . . 10.0 109.149 178.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -66.72 -32.87 74.45 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.163 -0.926 . . . . 10.0 110.357 179.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 48.4 ttm -59.82 -32.71 70.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.947 0.404 . . . . 10.0 110.419 179.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 1.5 m -71.95 3.93 3.88 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 115.567 -0.742 . . . . 10.0 110.924 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -131.79 -54.42 1.0 Allowed 'General case' 0 C--O 1.222 -0.357 0 N-CA-C 109.273 -0.64 . . . . 10.0 109.273 178.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 246' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.67 -47.61 76.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 10.0 111.51 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . 16.8 mt -89.13 -43.12 11.27 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.504 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -60.7 -49.81 76.02 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.705 0.631 . . . . 10.0 112.705 -179.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -70.43 -28.61 65.17 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 120.917 0.389 . . . . 10.0 110.947 -179.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 250' ' ' VAL . . . . . 0.435 ' CB ' ' HH ' ' D' ' 521' ' ' TYR . 0.3 OUTLIER -75.44 -30.53 22.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 O-C-N 122.012 -0.43 . . . . 10.0 110.331 178.938 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 39.6 tttt -80.58 -40.31 26.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.73 -0.668 . . . . 10.0 109.828 179.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -68.87 -34.46 75.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.504 -0.316 . . . . 10.0 110.322 179.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -89.65 -15.77 31.93 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.284 -0.416 . . . . 10.0 112.026 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 254' ' ' VAL . . . . . . . . . . . . . 2.3 p -65.12 -27.72 42.93 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 C-N-CA 120.611 -0.436 . . . . 10.0 110.209 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -63.93 -61.25 7.19 Favored Pre-proline 0 CA--C 1.536 0.415 0 CA-C-N 115.862 -0.608 . . . . 10.0 111.2 179.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -65.67 -29.42 51.69 Favored 'Trans proline' 0 C--N 1.354 0.865 0 C-N-CA 121.865 1.71 . . . . 10.0 112.062 178.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 6.7 m-30 -68.9 -50.69 47.45 Favored 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 109.849 -0.426 . . . . 10.0 109.849 179.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.51 -42.01 99.22 Favored 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 109.268 -0.642 . . . . 10.0 109.268 179.363 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -58.67 -37.53 76.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.435 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -66.22 -54.06 29.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.32 179.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -62.05 -45.74 92.2 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 115.604 -0.725 . . . . 10.0 111.04 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -63.59 -41.49 98.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.092 -0.504 . . . . 10.0 111.513 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 20.7 ttmt -59.31 -50.07 75.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.09 0.471 . . . . 10.0 110.039 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 264' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -66.75 -35.4 80.02 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.612 -0.722 . . . . 10.0 109.876 178.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 5.1 m95 -64.23 -36.03 82.75 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 109.646 -0.501 . . . . 10.0 109.646 178.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -62.48 -49.03 77.0 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 108.801 -0.814 . . . . 10.0 108.801 178.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -60.37 -45.17 94.47 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 109.089 -0.708 . . . . 10.0 109.089 178.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -57.73 -48.55 79.28 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.966 -0.561 . . . . 10.0 111.213 179.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 94.5 mmm -64.78 -47.81 76.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.685 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -62.84 -42.84 99.9 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.67 -0.241 . . . . 10.0 111.257 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 44.6 mt -62.72 -41.89 99.39 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 109.409 -0.589 . . . . 10.0 109.409 178.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.59 -44.76 93.09 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 115.612 -0.722 . . . . 10.0 109.468 178.695 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -61.47 -44.58 96.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.38 179.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -67.3 -18.63 65.26 Favored 'General case' 0 CA--C 1.523 -0.088 0 CA-C-N 115.837 -0.62 . . . . 10.0 111.255 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 275' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -93.85 -38.91 10.99 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.494 -0.321 . . . . 10.0 110.554 178.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 25.5 t -53.68 -40.04 41.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.314 -0.403 . . . . 10.0 110.828 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -57.98 -64.97 2.14 Favored Pre-proline 0 CA--C 1.542 0.653 0 N-CA-C 112.127 0.417 . . . . 10.0 112.127 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -62.34 -36.99 64.17 Favored 'Trans proline' 0 C--N 1.358 1.031 0 C-N-CA 122.048 1.832 . . . . 10.0 112.404 179.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 29.3 mt -65.0 -36.79 85.55 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.697 0.284 . . . . 10.0 110.561 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 28.5 ttm180 -64.73 -39.26 93.34 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 109.356 -0.609 . . . . 10.0 109.356 178.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -59.75 -48.16 82.78 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.908 -0.587 . . . . 10.0 109.508 178.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -61.52 -46.68 88.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.272 179.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 30.0 mt -63.5 -40.4 96.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.953 -0.567 . . . . 10.0 111.154 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -67.99 -51.29 48.86 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.079 -0.509 . . . . 10.0 110.874 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -61.06 -40.5 93.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.925 0.393 . . . . 10.0 110.382 179.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -66.32 -46.54 77.91 Favored Glycine 0 N--CA 1.441 -0.967 0 N-CA-C 110.728 -0.949 . . . . 10.0 110.728 178.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -61.91 -38.95 90.28 Favored 'General case' 0 C--O 1.222 -0.375 0 N-CA-C 110.501 -0.185 . . . . 10.0 110.501 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 88.5 mtt180 -54.4 -51.42 64.93 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 116.315 -0.402 . . . . 10.0 110.547 179.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -70.73 -46.73 62.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.988 -0.551 . . . . 10.0 111.421 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -58.57 -48.01 82.33 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.751 0.31 . . . . 10.0 111.531 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 94.3 mt -66.0 -38.58 88.84 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.492 -0.322 . . . . 10.0 110.841 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -68.54 -36.85 79.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.83 0.348 . . . . 10.0 110.575 179.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -65.76 -37.12 85.46 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.967 -0.753 . . . . 10.0 108.967 178.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 72.3 mt -67.46 -37.55 83.1 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.802 -0.635 . . . . 10.0 109.639 178.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -68.18 -30.14 69.17 Favored 'General case' 0 CA--C 1.521 -0.16 0 N-CA-C 109.483 -0.562 . . . . 10.0 109.483 178.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -65.71 -15.45 62.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.688 -0.687 . . . . 10.0 110.954 178.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 17.9 mmtp -111.91 -27.54 8.41 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.147 179.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 12.4 mt -69.69 -34.25 73.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.212 -0.449 . . . . 10.0 112.116 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 299' ' ' SER . . . . . . . . . . . . . 8.8 m -76.33 -66.34 0.37 Allowed Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 113.162 0.801 . . . . 10.0 113.162 -179.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 300' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -63.48 -57.07 0.41 Allowed 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 121.736 1.624 . . . . 10.0 112.803 -179.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 68.4 mt -64.42 -26.36 68.42 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-O 120.548 0.213 . . . . 10.0 110.506 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -70.6 -50.72 24.1 Favored Glycine 0 N--CA 1.449 -0.461 0 N-CA-C 110.851 -0.899 . . . . 10.0 110.851 178.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -62.05 -41.35 98.05 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 121.302 0.572 . . . . 10.0 109.803 178.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.95 -38.96 92.98 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.216 -0.902 . . . . 10.0 109.634 178.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 11.0 tpt -62.94 -39.95 96.17 Favored 'General case' 0 CA--C 1.518 -0.273 0 N-CA-C 109.329 -0.619 . . . . 10.0 109.329 178.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 62.7 mtt180 -67.46 -38.21 84.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.658 -0.701 . . . . 10.0 110.092 178.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -67.58 -39.66 84.87 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 109.46 -0.571 . . . . 10.0 109.46 178.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -67.51 -34.47 77.18 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 108.612 -0.885 . . . . 10.0 108.612 177.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -66.09 -37.98 87.1 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 108.955 -0.757 . . . . 10.0 108.955 178.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 310' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -59.53 -45.96 90.26 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 108.209 -1.034 . . . . 10.0 108.209 177.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -64.88 -42.03 95.15 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.626 -0.715 . . . . 10.0 110.017 178.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -56.24 -51.9 66.41 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.139 179.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 59.2 t -70.12 -39.48 77.14 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-N 115.576 -0.738 . . . . 10.0 111.878 -179.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -62.18 -42.41 99.25 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 109.8 -0.444 . . . . 10.0 109.8 179.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -64.93 -33.82 76.93 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.895 -0.593 . . . . 10.0 109.632 178.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 33.3 mt -70.21 -42.55 72.19 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.432 178.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 33.3 ttm105 -63.16 -41.35 99.23 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.967 -0.561 . . . . 10.0 111.412 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -66.23 -21.05 66.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.045 0.45 . . . . 10.0 111.224 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 49.9 m80 -98.45 -41.51 7.76 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.22 -0.445 . . . . 10.0 110.812 179.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 77.0 mt -66.92 -26.54 66.91 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.284 0.475 . . . . 10.0 112.284 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -60.62 -60.75 9.64 Favored Pre-proline 0 CA--C 1.532 0.269 0 C-N-CA 120.945 -0.302 . . . . 10.0 110.877 178.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -66.71 -28.51 43.98 Favored 'Trans proline' 0 C--N 1.356 0.942 0 C-N-CA 121.512 1.475 . . . . 10.0 110.737 178.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 3.7 m-30 -63.08 -51.46 66.57 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 116.253 -0.431 . . . . 10.0 109.849 178.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 17.5 p -67.53 -33.58 75.35 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 110.01 -0.367 . . . . 10.0 110.01 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -61.26 -47.12 87.47 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 115.841 -0.618 . . . . 10.0 109.393 178.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -74.55 -24.15 58.89 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.702 -0.681 . . . . 10.0 110.666 178.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 19.4 mt -67.98 -30.37 69.63 Favored 'General case' 0 CA--C 1.52 -0.178 0 N-CA-C 108.887 -0.783 . . . . 10.0 108.887 177.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 -63.22 -45.74 90.21 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 107.992 -1.114 . . . . 10.0 107.992 177.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -63.73 -44.13 94.45 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 114.998 -1.001 . . . . 10.0 109.288 178.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 27.4 mtt-85 -57.31 -49.01 77.45 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.652 -0.704 . . . . 10.0 110.102 178.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 6.1 mt -60.17 -47.92 83.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.74 179.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -59.66 -46.68 88.32 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.239 -0.437 . . . . 10.0 111.155 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -62.7 -45.78 91.2 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.942 0.401 . . . . 10.0 110.845 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 35.3 mtt-85 -63.94 -41.88 97.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.4 179.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 24.8 mt -62.63 -43.84 97.8 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.278 179.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -63.49 -45.91 88.57 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 120.645 0.26 . . . . 10.0 110.572 179.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -56.21 -47.18 78.9 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.846 -0.615 . . . . 10.0 110.349 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 67.0 mt -80.96 -12.91 59.3 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.306 -0.407 . . . . 10.0 111.823 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 70.7 tttt -80.64 -54.87 5.26 Favored 'General case' 0 CA--C 1.512 -0.504 0 N-CA-C 109.417 -0.586 . . . . 10.0 109.417 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -66.02 -41.52 90.84 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.36 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -67.15 -44.18 80.43 Favored 'General case' 0 C--O 1.225 -0.197 0 N-CA-C 108.846 -0.798 . . . . 10.0 108.846 178.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -60.44 -41.51 98.61 Favored Glycine 0 N--CA 1.447 -0.586 0 CA-C-N 115.798 -0.637 . . . . 10.0 111.892 179.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -61.25 -41.68 99.56 Favored Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 110.902 -0.879 . . . . 10.0 110.902 178.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -68.86 -40.21 79.46 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 109.728 -0.471 . . . . 10.0 109.728 179.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 33.0 mtm180 -64.58 -44.11 91.72 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.579 179.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 24.0 mt -59.79 -47.46 85.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.87 0.367 . . . . 10.0 110.199 179.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.97 -40.46 93.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.121 0.486 . . . . 10.0 110.183 179.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -67.32 -44.73 78.4 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.017 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -61.44 -41.42 97.16 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.394 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 31.1 m-70 -62.03 -44.95 95.6 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.566 -0.531 . . . . 10.0 109.566 178.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -63.13 -47.11 84.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.814 -0.63 . . . . 10.0 109.792 179.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 12.2 mttm -59.99 -46.21 90.21 Favored 'General case' 0 CA--C 1.521 -0.135 0 CA-C-N 116.134 -0.485 . . . . 10.0 109.836 178.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.19 -37.22 76.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.057 -0.519 . . . . 10.0 110.095 179.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 55.4 m -61.85 -47.17 86.25 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.09 -0.708 . . . . 10.0 109.09 178.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -63.43 -39.36 94.28 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.014 -0.539 . . . . 10.0 109.685 178.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -64.96 -36.33 84.03 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-N 115.703 -0.681 . . . . 10.0 109.966 178.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 72.5 mt -70.5 -40.17 73.7 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 110.012 -0.366 . . . . 10.0 110.012 179.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 20.3 m -62.56 -39.91 95.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.211 -0.449 . . . . 10.0 110.276 178.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 1.6 p -76.96 -32.85 57.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.064 0.459 . . . . 10.0 110.159 178.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 56.3 tp -65.16 -30.24 71.14 Favored 'General case' 0 CA--C 1.517 -0.292 0 N-CA-C 109.022 -0.732 . . . . 10.0 109.022 178.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 35.7 m -63.19 -30.55 71.67 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.536 -0.757 . . . . 10.0 109.842 178.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -72.39 -22.79 61.08 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.35 -0.611 . . . . 10.0 109.35 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 363' ' ' LYS . . . . . . . . . . . . . 44.6 mtmt -91.97 -23.16 19.65 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.503 -0.771 . . . . 10.0 110.529 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -91.16 -33.69 15.32 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.909 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -97.79 -74.18 0.04 OUTLIER Pre-proline 0 CA--C 1.538 0.49 0 N-CA-C 112.423 0.527 . . . . 10.0 112.423 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -61.84 -54.19 1.71 Allowed 'Trans proline' 0 C--N 1.355 0.876 0 C-N-CA 121.923 1.749 . . . . 10.0 113.034 -179.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 367' ' ' ALA . . . . . . . . . . . . . . . -57.23 -48.49 78.7 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.325 0.491 . . . . 10.0 112.325 -179.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 12.1 mt -64.86 -37.56 88.05 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.912 -0.315 . . . . 10.0 111.041 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -60.79 -50.25 74.22 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.089 -0.708 . . . . 10.0 109.089 178.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.28 -43.12 92.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.755 -0.657 . . . . 10.0 110.505 179.343 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 75.1 mt -63.36 -45.99 88.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.669 179.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 82.9 mtt180 -65.47 -36.9 85.26 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 120.769 0.319 . . . . 10.0 110.774 179.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -63.09 -35.58 80.74 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.687 -0.688 . . . . 10.0 110.094 178.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -83.13 -31.93 27.29 Favored Glycine 0 N--CA 1.45 -0.412 0 CA-C-N 115.907 -0.588 . . . . 10.0 112.015 179.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 43.3 mt -61.92 -38.16 87.38 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 120.326 0.107 . . . . 10.0 111.086 179.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 18.9 mt -52.54 -61.81 4.12 Favored Pre-proline 0 CA--C 1.54 0.584 0 N-CA-C 113.238 0.829 . . . . 10.0 113.238 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_endo -59.84 -36.42 90.94 Favored 'Trans proline' 0 C--N 1.356 0.964 0 C-N-CA 122.115 1.877 . . . . 10.0 111.638 179.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 57.5 t -64.04 -44.34 97.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 63.0 mt -63.08 -41.37 99.4 Favored 'General case' 0 CA--C 1.516 -0.365 0 N-CA-C 109.622 -0.511 . . . . 10.0 109.622 178.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -61.89 -43.03 99.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 10.0 109.987 178.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 16.3 m -63.56 -40.86 98.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.825 -0.625 . . . . 10.0 109.705 178.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -64.2 -39.4 93.9 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-N 115.833 -0.621 . . . . 10.0 110.512 179.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -58.9 -44.44 91.24 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 110.009 -0.367 . . . . 10.0 110.009 179.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 39.6 t -65.1 -45.25 94.78 Favored 'Isoleucine or valine' 0 C--O 1.232 0.161 0 CA-C-O 121.059 0.457 . . . . 10.0 110.129 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 21.4 m -64.83 -38.65 91.71 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.849 -0.614 . . . . 10.0 111.55 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -72.74 -40.37 66.11 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.544 0.211 . . . . 10.0 111.35 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 17.7 mt -61.11 -44.81 96.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.803 0.335 . . . . 10.0 110.355 178.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 9.7 p -68.66 -34.93 76.55 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.604 179.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -65.33 -40.45 93.71 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.178 -0.465 . . . . 10.0 110.105 179.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 77.6 mt -62.09 -37.25 84.33 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.034 -0.53 . . . . 10.0 109.824 178.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -63.41 -38.7 92.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.925 -0.58 . . . . 10.0 110.174 178.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -56.72 -43.01 80.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.633 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -61.63 -42.99 99.67 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.926 -0.579 . . . . 10.0 109.906 178.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 18.0 m -70.42 -31.77 69.11 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.954 -0.567 . . . . 10.0 112.423 -179.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 395' ' ' LYS . . . . . 0.424 ' HZ2' ' CD ' ' D' ' 590' ' ' GLU . 53.8 mtmt -82.83 -36.23 25.68 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 113.617 0.969 . . . . 10.0 113.617 -178.471 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -98.47 -35.82 10.14 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 113.938 1.088 . . . . 10.0 113.938 -178.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 36.1 mt -93.75 -1.76 54.63 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.749 -0.38 . . . . 10.0 111.724 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 15.1 t30 . . . . . 0 C--N 1.324 -0.539 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.299 -179.736 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 3.7 mm? . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.909 0.385 . . . . 10.0 111.006 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -83.92 31.56 0.49 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.552 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 44.7 mt -65.71 -39.18 90.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.86 -0.609 . . . . 10.0 111.543 -179.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 87.3 mt -68.24 -41.24 81.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.823 0.344 . . . . 10.0 110.54 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -66.0 -44.57 84.43 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.58 -0.736 . . . . 10.0 109.689 179.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -63.22 -46.5 86.68 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.423 -0.808 . . . . 10.0 110.668 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -63.17 -29.76 71.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.199 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -65.37 -43.25 91.32 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.849 -0.426 . . . . 10.0 109.849 179.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.29 -34.55 77.94 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.119 0.485 . . . . 10.0 110.028 179.193 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 54.8 t -68.44 -32.73 56.65 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-N 115.441 -0.799 . . . . 10.0 109.164 178.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 82.4 m -67.72 -40.54 84.22 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.515 -0.766 . . . . 10.0 109.332 178.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.6 -39.35 83.93 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.724 -0.671 . . . . 10.0 110.58 179.059 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.15 -37.35 80.95 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 116.178 -0.464 . . . . 10.0 110.019 179.337 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -65.84 -44.16 86.34 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.167 178.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 14.5 m -58.94 -42.9 90.91 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.87 -0.418 . . . . 10.0 109.87 178.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 28.6 mmtt -61.68 -37.18 83.14 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 121.248 0.547 . . . . 10.0 110.566 178.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 85.5 mt -69.57 -38.88 77.58 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.867 -0.606 . . . . 10.0 109.596 178.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -64.94 -34.71 79.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.978 -0.555 . . . . 10.0 111.014 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -67.43 -40.9 85.51 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.296 -0.631 . . . . 10.0 109.296 178.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -71.88 -25.3 61.88 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.763 -0.653 . . . . 10.0 110.201 179.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 17.6 mt -74.38 -0.4 17.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.691 -0.686 . . . . 10.0 111.235 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -99.68 -94.18 2.09 Favored Glycine 0 N--CA 1.444 -0.828 0 CA-C-N 115.71 -0.677 . . . . 10.0 111.557 178.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -50.33 -43.39 44.09 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 123.662 2.908 . . . . 10.0 113.773 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 57.4 t -63.69 -40.88 90.68 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 CA-C-O 120.579 0.228 . . . . 10.0 111.342 -179.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 3.8 m -73.73 -35.19 65.05 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.938 -0.393 . . . . 10.0 109.938 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -60.71 -45.59 93.63 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.103 -0.499 . . . . 10.0 109.841 178.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -75.29 -25.05 57.64 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.272 -0.422 . . . . 10.0 110.219 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -66.34 -39.87 89.49 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 108.576 -0.898 . . . . 10.0 108.576 177.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 4.3 m95 -67.19 -39.36 86.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.466 -0.788 . . . . 10.0 109.316 178.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -66.8 -32.99 74.63 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 108.626 -0.879 . . . . 10.0 108.626 177.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -67.99 -42.53 80.63 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 108.944 -0.761 . . . . 10.0 108.944 177.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 85.9 mt -55.82 -38.21 69.7 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 115.832 -0.622 . . . . 10.0 109.555 178.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 -62.87 -46.18 89.06 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.826 -0.625 . . . . 10.0 109.591 178.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -61.44 -44.5 97.01 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 116.123 -0.489 . . . . 10.0 109.904 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -62.99 -53.21 57.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.758 -0.656 . . . . 10.0 111.555 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 12.0 p -63.69 -45.5 89.75 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.732 0.271 . . . . 10.0 111.732 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -64.45 -41.08 96.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.814 0.34 . . . . 10.0 110.448 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -63.74 -42.07 98.73 Favored Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 110.549 -1.02 . . . . 10.0 110.549 178.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 73.9 mt -67.64 -29.66 69.02 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.587 -0.523 . . . . 10.0 109.587 178.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 61.4 mtt180 -71.02 -29.69 65.69 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.222 -0.445 . . . . 10.0 109.929 178.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -61.02 -40.24 92.83 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 109.625 -0.509 . . . . 10.0 109.625 178.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -87.16 -41.5 13.71 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.626 -0.715 . . . . 10.0 111.384 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 6.9 mmm -61.76 -38.72 89.04 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 112.605 0.595 . . . . 10.0 112.605 -179.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 36.1 p -64.81 -54.26 34.02 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.787 -0.449 . . . . 10.0 109.787 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp -61.9 -29.05 69.95 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.947 -0.57 . . . . 10.0 110.337 179.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -70.26 -57.76 4.52 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.811 -0.631 . . . . 10.0 109.786 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 11.9 mt -60.4 -42.8 96.68 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.659 0.615 . . . . 10.0 112.659 -179.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -64.46 -25.92 68.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.361 0.601 . . . . 10.0 110.04 179.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 447' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -90.97 -23.94 20.27 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.835 -0.62 . . . . 10.0 109.989 179.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 6.6 t -60.86 -41.58 89.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 109.136 -0.69 . . . . 10.0 109.136 178.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 70.6 mttt -64.91 -25.58 67.94 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.431 -0.804 . . . . 10.0 109.808 178.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -94.47 -1.57 53.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.579 -0.737 . . . . 10.0 111.316 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 36.7 mmtm -113.04 -45.83 3.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.497 -0.319 . . . . 10.0 110.915 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 98.3 t -68.34 -40.78 82.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.315 -0.402 . . . . 10.0 111.367 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -55.73 -60.06 9.68 Favored Pre-proline 0 CA--C 1.536 0.408 0 N-CA-C 112.18 0.437 . . . . 10.0 112.18 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -64.84 -29.77 58.59 Favored 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 121.54 1.494 . . . . 10.0 111.647 179.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -69.54 -41.97 75.24 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 110.14 -0.319 . . . . 10.0 110.14 179.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 20.0 mt -66.25 -36.19 82.35 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.854 -0.424 . . . . 10.0 109.854 179.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -67.1 -50.63 60.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.852 -0.613 . . . . 10.0 109.987 178.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 458' ' ' ASP . . . . . 0.479 ' CG ' ' HZ2' ' D' ' 462' ' ' LYS . 29.8 t70 -63.39 -36.67 84.48 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-N 115.877 -0.601 . . . . 10.0 109.991 179.293 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -65.58 -47.95 74.02 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 115.716 -0.675 . . . . 10.0 109.58 178.552 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -62.61 -35.15 78.63 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.914 -0.585 . . . . 10.0 110.346 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 61.5 mttt -61.41 -46.23 91.0 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.312 -0.625 . . . . 10.0 109.312 178.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 462' ' ' LYS . . . . . 0.479 ' HZ2' ' CG ' ' D' ' 458' ' ' ASP . 14.9 mtmm -67.66 -36.18 80.25 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 115.521 -0.763 . . . . 10.0 110.202 178.406 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 37.9 m0 -62.62 -46.42 88.34 Favored 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 108.613 -0.884 . . . . 10.0 108.613 177.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -59.0 -44.72 91.69 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-N 115.485 -0.78 . . . . 10.0 109.745 178.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 465' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -56.66 -58.67 7.08 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.434 179.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.86 -42.73 98.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.436 -179.512 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 25.8 ttm -60.69 -45.43 94.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.706 0.289 . . . . 10.0 110.767 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -67.98 -41.2 82.71 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 116.382 -0.372 . . . . 10.0 110.086 178.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 469' ' ' LEU . . . . . . . . . . . . . 65.9 mt -57.36 -41.85 80.93 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 116.242 -0.436 . . . . 10.0 110.171 179.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 14.3 m-30 -62.91 -26.61 68.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 10.0 111.059 179.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 14.5 mmt85 -74.89 -19.91 59.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.099 -0.501 . . . . 10.0 110.205 178.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.5 10.61 16.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 10.0 111.09 178.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 473' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -133.51 -64.83 0.7 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.781 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 94.9 t -63.19 -42.18 95.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.574 -0.285 . . . . 10.0 110.766 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -58.06 -57.19 27.68 Favored Pre-proline 0 CA--C 1.538 0.509 0 N-CA-C 112.052 0.39 . . . . 10.0 112.052 179.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_endo -62.46 -34.63 75.44 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 121.821 1.681 . . . . 10.0 111.142 177.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 19.6 mt -64.75 -31.21 72.33 Favored 'General case' 0 CA--C 1.522 -0.109 0 CA-C-O 121.23 0.538 . . . . 10.0 109.707 178.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 13.7 mtt180 -67.3 -29.6 69.23 Favored 'General case' 0 C--O 1.22 -0.474 0 N-CA-C 109.228 -0.656 . . . . 10.0 109.228 177.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -76.13 -38.79 56.38 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 108.321 -0.992 . . . . 10.0 108.321 178.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.41 -45.5 94.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.347 -0.842 . . . . 10.0 108.764 177.707 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 90.1 mt -74.77 -25.63 59.2 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 115.513 -0.767 . . . . 10.0 110.4 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -65.59 -59.62 3.77 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.315 -0.624 . . . . 10.0 109.315 179.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.33 -34.69 78.55 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.519 -0.764 . . . . 10.0 110.24 179.574 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -64.83 -44.1 95.2 Favored Glycine 0 N--CA 1.446 -0.637 0 N-CA-C 111.388 -0.685 . . . . 10.0 111.388 178.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -67.59 -39.18 84.82 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 109.735 -0.468 . . . . 10.0 109.735 178.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -62.83 -41.9 99.51 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 116.071 -0.513 . . . . 10.0 109.665 178.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -66.75 -43.6 83.67 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.709 -0.678 . . . . 10.0 109.472 178.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -63.98 -37.58 87.94 Favored 'General case' 0 C--O 1.224 -0.24 0 N-CA-C 109.69 -0.485 . . . . 10.0 109.69 178.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 31.8 mt -64.3 -38.64 91.77 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 109.17 -0.678 . . . . 10.0 109.17 177.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -66.69 -45.76 77.77 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 108.181 -1.044 . . . . 10.0 108.181 177.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -58.28 -41.36 84.18 Favored 'General case' 0 CA--C 1.52 -0.174 0 N-CA-C 109.269 -0.641 . . . . 10.0 109.269 178.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 49.9 mt -66.63 -47.31 72.99 Favored 'General case' 0 C--O 1.22 -0.473 0 CA-C-N 115.728 -0.669 . . . . 10.0 110.408 179.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -60.1 -37.47 80.08 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.783 0.325 . . . . 10.0 110.803 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -69.32 -8.2 44.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.965 179.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 495' ' ' LYS . . . . . . . . . . . . . 48.5 mttp -112.93 -44.28 3.31 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.123 179.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 80.5 mt -62.55 -22.32 66.24 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.88 -0.6 . . . . 10.0 111.846 -179.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 497' ' ' SER . . . . . . . . . . . . . 10.4 m -81.41 -65.46 0.25 Allowed Pre-proline 0 C--N 1.325 -0.488 0 C-N-CA 120.786 -0.365 . . . . 10.0 111.868 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 498' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -66.44 -45.99 4.52 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 121.66 1.573 . . . . 10.0 112.15 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 499' ' ' LEU . . . . . . . . . . . . . 82.9 mt -72.54 -29.94 64.01 Favored 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 110.077 -0.342 . . . . 10.0 110.077 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -65.56 -50.6 53.82 Favored Glycine 0 N--CA 1.442 -0.959 0 N-CA-C 110.479 -1.048 . . . . 10.0 110.479 178.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -65.64 -34.66 78.74 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 109.545 -0.539 . . . . 10.0 109.545 178.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 502' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -64.08 -45.61 87.95 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 109.234 -0.654 . . . . 10.0 109.234 178.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 74.8 mmm -61.66 -36.05 79.72 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 109.392 -0.595 . . . . 10.0 109.392 178.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -63.56 -46.8 84.25 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.267 -0.642 . . . . 10.0 109.267 178.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -64.3 -39.74 94.54 Favored 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.375 179.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 506' ' ' ARG . . . . . . . . . . . . . 57.9 mtt180 -59.15 -47.2 86.16 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 108.812 -0.811 . . . . 10.0 108.812 178.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -62.83 -40.21 96.7 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.492 -0.776 . . . . 10.0 109.635 179.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 508' ' ' ARG . . . . . . . . . . . . . 72.5 mtt180 -59.2 -41.34 88.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.246 -0.434 . . . . 10.0 110.435 178.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -68.01 -42.27 80.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.908 -0.587 . . . . 10.0 111.281 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 75.6 m-70 -71.67 -45.27 62.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.827 0.346 . . . . 10.0 110.668 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.35 -42.29 95.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.364 -0.38 . . . . 10.0 110.362 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -65.43 -35.52 81.18 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 121.055 0.455 . . . . 10.0 109.917 179.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -66.12 -41.05 91.06 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 108.506 -0.924 . . . . 10.0 108.506 177.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 514' ' ' LEU . . . . . . . . . . . . . 70.6 mt -60.5 -34.4 74.02 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 115.957 -0.565 . . . . 10.0 109.637 178.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 515' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -67.35 -23.55 65.62 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.953 -0.567 . . . . 10.0 109.716 178.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -103.7 1.5 31.91 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.539 -0.755 . . . . 10.0 110.369 -179.53 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 38.7 m170 -115.59 -64.71 1.28 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.382 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 79.4 mt -65.11 -51.29 62.17 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 115.899 -0.591 . . . . 10.0 112.188 -178.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 519' ' ' ALA . . . . . . . . . . . . . . . -53.71 -58.31 13.67 Favored Pre-proline 0 CA--C 1.54 0.592 0 N-CA-C 113.117 0.784 . . . . 10.0 113.117 -179.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 520' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_exo -62.47 -41.27 33.85 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 121.958 1.772 . . . . 10.0 111.543 179.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 521' ' ' TYR . . . . . 0.435 ' HH ' ' CB ' ' A' ' 250' ' ' VAL . 6.7 t80 -67.45 -34.69 77.71 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.31 -0.405 . . . . 10.0 111.74 -179.274 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 94.8 p -64.95 -34.03 77.45 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 121.036 -0.266 . . . . 10.0 110.748 179.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -69.43 -35.93 76.18 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 109.367 -0.605 . . . . 10.0 109.367 178.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -71.32 -35.6 71.29 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 108.236 -1.024 . . . . 10.0 108.236 177.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 28.5 mt -64.96 -34.22 77.91 Favored 'General case' 0 C--O 1.22 -0.49 0 CA-C-N 115.196 -0.911 . . . . 10.0 109.014 177.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 526' ' ' ARG . . . . . . . . . . . . . 82.4 mtt180 -61.09 -35.65 77.55 Favored 'General case' 0 C--O 1.227 -0.107 0 O-C-N 123.471 0.482 . . . . 10.0 109.784 178.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -64.7 -40.12 94.82 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 108.671 -0.863 . . . . 10.0 108.671 178.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 528' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -71.48 -46.41 59.95 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.751 -1.113 . . . . 10.0 109.849 179.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 95.1 mt -59.4 -39.53 83.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.62 179.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -62.89 -46.79 86.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 10.0 110.166 179.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -65.37 -41.62 93.58 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.183 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -64.33 -45.33 88.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.017 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 55.8 mt -65.85 -37.64 86.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.058 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -64.46 -40.05 94.98 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 115.928 -0.578 . . . . 10.0 109.523 178.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -64.37 -42.99 95.9 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 108.571 -0.899 . . . . 10.0 108.571 178.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 95.4 mt -65.19 -26.78 68.29 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.615 -0.721 . . . . 10.0 110.629 179.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -80.4 -37.69 31.74 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.866 -0.42 . . . . 10.0 109.866 178.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -70.67 -56.78 5.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 10.0 109.948 178.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 10.4 m-20 -66.55 -36.04 81.69 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.34 -0.615 . . . . 10.0 109.34 179.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -66.2 -41.0 95.08 Favored Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 111.17 -0.772 . . . . 10.0 111.17 179.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -63.35 -43.06 98.92 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 110.215 -1.154 . . . . 10.0 110.215 178.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -63.88 -46.52 84.54 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.938 -0.764 . . . . 10.0 108.938 178.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 53.2 mtt180 -58.5 -37.27 75.23 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.609 179.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 52.2 mt -64.68 -40.9 96.18 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.755 -0.461 . . . . 10.0 109.755 179.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -68.13 -43.46 78.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.836 -0.62 . . . . 10.0 109.418 178.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -62.21 -43.48 98.73 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 115.785 -0.643 . . . . 10.0 109.519 178.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -62.51 -41.27 98.72 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-N 115.852 -0.613 . . . . 10.0 109.486 178.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -62.34 -51.1 68.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.114 179.349 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -61.66 -51.01 70.22 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.022 -0.536 . . . . 10.0 110.955 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.59 -31.19 71.98 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.013 -0.539 . . . . 10.0 111.322 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -63.29 -41.88 99.01 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.649 -0.5 . . . . 10.0 109.649 178.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.87 -41.26 87.58 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.668 -0.493 . . . . 10.0 109.668 178.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -64.38 -46.35 83.71 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.711 -0.477 . . . . 10.0 109.711 178.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 68.3 t60 -61.4 -40.65 95.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.645 -0.707 . . . . 10.0 109.389 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 10.2 tp -64.54 -43.38 94.16 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.54 -0.755 . . . . 10.0 110.421 179.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 20.0 m -63.19 -41.02 99.12 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.298 178.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 7.4 m -70.15 -28.79 65.64 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.451 -0.574 . . . . 10.0 109.451 178.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 14.8 mt -67.45 -51.26 53.62 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.615 -0.721 . . . . 10.0 110.052 179.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 1.2 p -66.92 -36.02 81.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.758 0.313 . . . . 10.0 110.822 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -58.9 -30.83 68.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.878 -0.601 . . . . 10.0 111.226 179.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.25 -40.14 8.09 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 116.351 -0.386 . . . . 10.0 111.044 179.587 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -59.4 -45.21 92.14 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.813 0.671 . . . . 10.0 112.813 -179.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -55.3 -62.64 4.05 Favored Pre-proline 0 N--CA 1.463 0.216 0 N-CA-C 111.898 0.333 . . . . 10.0 111.898 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -61.53 -37.19 72.28 Favored 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 121.5 1.466 . . . . 10.0 111.616 179.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -61.23 -50.28 73.73 Favored 'General case' 0 C--O 1.22 -0.492 0 C-N-CA 121.362 -0.135 . . . . 10.0 110.682 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 42.6 mt -60.26 -43.74 95.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.68 0.276 . . . . 10.0 110.921 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -64.62 -52.26 58.38 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.209 0.528 . . . . 10.0 110.635 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -65.21 -40.06 93.63 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.828 -0.624 . . . . 10.0 112.365 -178.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 52.3 mt -62.98 -45.27 93.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.775 0.321 . . . . 10.0 110.354 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 60.6 mtt85 -66.72 -40.6 88.48 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.018 0.437 . . . . 10.0 110.405 179.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -66.54 -24.19 66.34 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.223 0.535 . . . . 10.0 110.266 178.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -89.9 -30.67 12.44 Favored Glycine 0 N--CA 1.443 -0.836 0 N-CA-C 110.697 -0.961 . . . . 10.0 110.697 178.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 28.5 mt -68.87 -37.25 78.95 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.533 -0.333 . . . . 10.0 110.881 179.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 96.7 mt -50.28 -61.91 3.23 Favored Pre-proline 0 CA--C 1.536 0.422 0 N-CA-C 112.882 0.697 . . . . 10.0 112.882 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -65.36 -33.55 47.31 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 121.887 1.724 . . . . 10.0 111.345 179.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 4.0 t -65.14 -45.62 93.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.644 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 72.0 mt -60.89 -40.6 93.64 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.465 -0.334 . . . . 10.0 110.102 179.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -64.4 -42.89 95.85 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.654 -0.498 . . . . 10.0 109.654 178.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 46.0 m -63.55 -40.72 97.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.0 -0.545 . . . . 10.0 109.751 178.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -64.47 -42.41 95.93 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.984 -0.553 . . . . 10.0 109.874 178.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -57.79 -49.36 76.87 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.182 178.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 91.3 t -60.37 -41.92 89.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.577 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 14.5 m -66.6 -40.06 88.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.677 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -69.82 -41.14 75.37 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.771 179.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 46.8 mt -59.69 -51.33 70.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 10.0 111.088 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 18.3 p -64.08 -30.9 71.94 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.974 0.416 . . . . 10.0 110.659 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -69.92 -51.87 29.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.365 -0.38 . . . . 10.0 110.041 179.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 94.9 mt -59.92 -44.41 94.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.052 -0.522 . . . . 10.0 111.648 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -58.82 -53.15 61.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.878 0.37 . . . . 10.0 111.047 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 590' ' ' GLU . . . . . 0.424 ' CD ' ' HZ2' ' A' ' 395' ' ' LYS . 15.2 mt-10 -64.49 -36.46 84.25 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.454 -0.339 . . . . 10.0 111.908 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 3.1 m-30 -61.88 -43.46 98.79 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 116.264 -0.425 . . . . 10.0 110.421 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 9.9 m -65.83 -31.05 71.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.813 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -75.11 -47.72 27.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.22 -0.445 . . . . 10.0 111.012 179.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.17 -38.03 72.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.312 -179.681 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 44.2 mt -98.68 50.43 0.98 Allowed 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.458 -0.571 . . . . 10.0 109.458 179.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 . . . . . 0 C--N 1.322 -0.599 0 CA-C-N 115.852 -0.613 . . . . 10.0 111.448 -179.29 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 6.8 m . . . . . 0 C--O 1.235 0.305 0 CA-C-O 120.79 0.329 . . . . 10.0 111.008 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.45 128.34 34.53 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 121.144 -0.222 . . . . 10.0 110.427 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -92.69 133.03 36.41 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.738 -0.468 . . . . 10.0 109.738 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -130.48 114.46 15.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.988 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 47.3 mttm -86.65 111.43 20.65 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.8 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 20.6 mt -117.95 122.98 44.65 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.522 -179.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 54.5 t -104.8 125.53 59.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-O 120.865 0.364 . . . . 10.0 110.925 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 21.3 t -85.61 119.62 34.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 108.92 -0.771 . . . . 10.0 108.92 179.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.0 m -125.9 151.81 32.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.964 0.411 . . . . 10.0 111.596 -178.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 156.18 176.31 28.15 Favored Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 115.808 -0.633 . . . . 10.0 111.533 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.74 -169.27 0.54 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.232 0.539 . . . . 10.0 111.993 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -94.69 152.93 18.07 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.608 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 70.27 16.72 73.52 Favored Glycine 0 N--CA 1.45 -0.376 0 CA-C-N 115.885 -0.598 . . . . 10.0 112.985 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 33.7 m -93.1 -22.09 5.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.752 0.311 . . . . 10.0 111.113 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 101.12 22.36 10.78 Favored Glycine 0 CA--C 1.52 0.347 0 C-N-CA 120.987 -0.625 . . . . 10.0 114.516 179.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 31.2 mtmm -54.07 -56.93 13.39 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 117.248 0.524 . . . . 10.0 112.049 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 49.2 m -63.41 -50.08 71.22 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.08 -0.509 . . . . 10.0 112.322 -179.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.14 -48.38 73.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.62 -0.264 . . . . 10.0 111.356 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 54.6 tp -58.01 -38.32 75.94 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.921 0.391 . . . . 10.0 110.59 179.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 30.6 m -69.66 -42.28 74.41 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.421 179.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 98.9 mt -66.37 -34.85 72.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.968 -0.56 . . . . 10.0 110.431 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -61.27 -23.54 65.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.889 -0.596 . . . . 10.0 111.027 179.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 11.3 tp -96.7 -40.14 9.13 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.367 -0.379 . . . . 10.0 111.248 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 40.0 mm -72.06 -65.31 0.67 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.368 0 CA-C-N 116.255 -0.429 . . . . 10.0 112.11 -179.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -90.71 -16.96 27.58 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.102 0.477 . . . . 10.0 111.084 -178.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 58.8 m-80 69.74 55.13 0.36 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.324 -0.853 . . . . 10.0 113.115 179.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -166.09 165.66 17.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.383 -0.371 . . . . 10.0 111.012 179.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -106.48 142.98 35.25 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.385 0.612 . . . . 10.0 112.079 -179.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 2.0 m -102.81 105.18 17.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.361 -0.836 . . . . 10.0 109.546 179.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -65.26 -45.65 83.68 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.002 -0.544 . . . . 10.0 111.45 -179.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -70.36 150.79 45.93 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.246 -0.434 . . . . 10.0 110.274 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -94.81 137.0 34.46 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.527 -179.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -142.58 103.86 5.42 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.135 178.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -52.06 120.15 6.8 Favored 'Trans proline' 0 CA--C 1.529 0.257 0 C-N-CA 122.851 2.367 . . . . 10.0 111.267 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.9 116.28 27.69 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.584 -0.28 . . . . 10.0 110.797 -178.558 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 43.3 mm -83.2 -43.58 18.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 123.663 0.602 . . . . 10.0 111.243 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -162.84 109.31 1.2 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.853 0.359 . . . . 10.0 111.302 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -124.63 136.57 54.04 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.441 -0.345 . . . . 10.0 110.469 179.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 10.8 m -106.49 130.25 54.31 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.675 0.274 . . . . 10.0 111.306 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 99.4 m-85 -130.71 124.73 32.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.414 -0.357 . . . . 10.0 110.551 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -117.98 129.82 55.82 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.793 0.33 . . . . 10.0 111.098 179.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 45.6 tttp -143.41 136.16 27.5 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.462 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -101.04 114.09 27.7 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.279 -0.418 . . . . 10.0 109.976 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 15.4 m -131.99 169.02 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.059 0.457 . . . . 10.0 111.089 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 84.6 t -102.75 119.29 50.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 109.64 -0.504 . . . . 10.0 109.64 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 49.3 mt -120.48 118.57 57.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.681 -0.236 . . . . 10.0 110.41 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 61.24 23.79 13.97 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 116.027 -0.533 . . . . 10.0 111.972 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.0 4.24 72.28 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.82 -0.705 . . . . 10.0 112.113 -179.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -115.65 118.75 33.95 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.947 -0.39 . . . . 10.0 109.947 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -68.23 119.39 12.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.56 -0.291 . . . . 10.0 110.276 179.658 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 28.4 m -125.14 142.38 51.53 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.14 0.495 . . . . 10.0 112.165 -179.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 47.7 tp -100.22 110.24 22.5 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 107.743 -1.206 . . . . 10.0 107.743 178.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 80.0 mt -84.59 120.95 26.94 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 112.88 0.696 . . . . 10.0 112.88 -177.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -102.63 77.63 1.63 Allowed 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 107.143 -1.428 . . . . 10.0 107.143 177.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 72.0 mt -87.37 131.86 34.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.345 -0.843 . . . . 10.0 112.192 -177.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 44.0 tp -119.14 116.44 26.34 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.479 -0.782 . . . . 10.0 110.857 179.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -91.46 113.64 25.96 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.369 -0.975 . . . . 10.0 108.369 178.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 39.1 p -100.56 -177.91 3.63 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.559 0.577 . . . . 10.0 112.559 -178.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -81.19 -176.35 5.93 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.336 0.588 . . . . 10.0 111.909 -179.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -151.49 28.56 0.96 Allowed Glycine 0 N--CA 1.445 -0.738 0 N-CA-C 110.351 -1.1 . . . . 10.0 110.351 179.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 -100.78 8.55 43.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.353 -0.423 . . . . 10.0 111.653 -179.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.526 ' CG ' ' H ' ' B' ' 63' ' ' GLU . 11.1 tp10 59.57 -152.75 0.39 Allowed 'General case' 0 N--CA 1.466 0.33 0 O-C-N 123.706 0.629 . . . . 10.0 110.121 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . 0.526 ' H ' ' CG ' ' B' ' 62' ' ' GLU . 0.5 OUTLIER 72.93 -49.55 0.7 Allowed 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 112.851 0.686 . . . . 10.0 112.851 179.273 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -76.87 81.36 3.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.915 0.388 . . . . 10.0 111.919 -179.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 17.8 m -84.62 -31.92 23.99 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.106 0.479 . . . . 10.0 110.325 179.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.13 -39.48 33.48 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.736 -0.665 . . . . 10.0 110.865 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 23.6 ttt -65.52 -39.36 91.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.097 0.475 . . . . 10.0 109.951 179.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 26.8 ttp180 -62.26 -40.94 97.89 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 115.625 -0.716 . . . . 10.0 110.316 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -60.13 -38.04 81.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.706 -0.679 . . . . 10.0 110.437 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -62.77 -58.86 5.97 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.022 -0.536 . . . . 10.0 112.355 -178.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -67.28 -19.65 65.52 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 113.704 1.001 . . . . 10.0 113.704 -178.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 35.4 mtt -70.37 -24.47 62.97 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.149 0.499 . . . . 10.0 110.898 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -77.01 -49.78 14.64 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.0 -0.546 . . . . 10.0 110.152 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.37 -37.72 83.62 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.555 -0.748 . . . . 10.0 111.826 -179.315 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.63 125.47 20.15 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.896 -0.669 . . . . 10.0 112.323 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -88.75 -41.35 12.6 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.264 0.554 . . . . 10.0 109.677 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -117.0 145.76 18.75 Favored Glycine 0 N--CA 1.443 -0.849 0 N-CA-C 110.284 -1.126 . . . . 10.0 110.284 178.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -120.9 142.18 49.93 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.179 0.514 . . . . 10.0 112.105 -178.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 12.3 tp -113.06 97.27 6.41 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.535 -0.757 . . . . 10.0 110.126 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 29.8 m -79.42 97.87 6.54 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.145 -0.479 . . . . 10.0 110.147 179.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 48.0 t -105.05 121.47 57.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.871 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 38.5 p90 -130.32 165.67 21.99 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.667 -0.697 . . . . 10.0 110.279 179.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -101.98 127.92 48.63 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.169 -0.678 . . . . 10.0 109.169 178.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 43.9 pt -68.27 -8.72 9.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.926 0.393 . . . . 10.0 111.638 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -102.86 8.99 39.13 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.423 179.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 38.1 t-20 -135.13 115.96 14.0 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.506 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.01 -30.15 62.31 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.772 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -59.83 -42.61 93.95 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.849 179.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.28 -34.67 76.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 10.0 111.414 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -65.67 -43.87 87.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.66 0.267 . . . . 10.0 111.377 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -70.25 -31.2 68.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.361 -0.381 . . . . 10.0 110.277 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.51 -32.09 72.11 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.809 -0.632 . . . . 10.0 111.243 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 51.8 mm -58.53 -38.13 68.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.001 -0.545 . . . . 10.0 111.086 -179.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -65.52 -51.37 60.47 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.997 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -63.49 -34.46 77.81 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.875 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -69.89 -41.83 74.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.45 179.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 47.0 ttt-85 -64.93 -41.7 95.31 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.537 -179.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -59.56 -40.09 86.18 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.374 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -66.29 -43.09 87.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.359 -0.382 . . . . 10.0 110.998 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 77.3 mt -54.52 -45.63 70.95 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 CA-C-O 121.282 0.563 . . . . 10.0 110.696 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 38.4 mtmt -59.81 -39.38 84.83 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.659 -0.7 . . . . 10.0 111.902 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 7.3 tmm_? -74.51 -43.77 54.4 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.39 -0.368 . . . . 10.0 111.507 -179.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 93.0 t -61.66 -45.97 97.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.1 -0.5 . . . . 10.0 112.185 -179.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -85.72 -7.24 58.91 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.937 0.347 . . . . 10.0 111.937 -179.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 4.3 t70 59.6 50.66 7.08 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 123.695 0.622 . . . . 10.0 111.44 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 58.0 m -156.56 131.89 9.29 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.016 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -73.62 -28.32 61.74 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.302 -0.629 . . . . 10.0 109.302 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -90.12 119.16 30.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.315 -0.857 . . . . 10.0 111.056 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 4.6 t -133.05 112.97 13.46 Favored Pre-proline 0 C--O 1.239 0.533 0 CA-C-N 115.817 -0.628 . . . . 10.0 110.203 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.73 106.36 1.08 Allowed 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 122.512 2.141 . . . . 10.0 111.371 179.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 59.0 mtm -147.09 161.35 41.02 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.297 -179.214 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 93.4 t -133.73 134.15 56.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.153 -0.684 . . . . 10.0 109.153 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 13.3 tp -77.53 124.85 28.45 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.997 -0.371 . . . . 10.0 109.997 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 95.7 t -120.53 122.87 69.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.308 -0.405 . . . . 10.0 111.136 -179.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -114.36 111.36 2.56 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 110.304 -1.118 . . . . 10.0 110.304 178.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -97.81 165.22 12.05 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.576 0.227 . . . . 10.0 110.768 -179.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 53.6 mttt 72.28 28.42 2.38 Favored 'General case' 0 C--O 1.232 0.17 0 N-CA-C 112.734 0.642 . . . . 10.0 112.734 179.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 79.3 m -65.89 -15.88 63.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.948 0.404 . . . . 10.0 111.517 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -82.85 -3.12 56.42 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.159 -0.473 . . . . 10.0 111.492 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 17.7 mt -79.82 142.09 56.2 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.418 -0.355 . . . . 10.0 110.104 178.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -74.94 141.29 26.63 Favored 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 122.535 2.157 . . . . 10.0 112.359 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 16.5 m 58.32 78.42 0.25 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.522 -0.763 . . . . 10.0 112.536 179.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 12.6 ptp180 -87.2 137.83 32.01 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.451 -0.341 . . . . 10.0 110.249 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 10.5 m -75.15 -53.48 8.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.653 0.263 . . . . 10.0 110.467 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 60.9 t -81.52 103.21 8.28 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 N-CA-C 109.726 -0.472 . . . . 10.0 109.726 179.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -75.18 164.2 26.73 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.827 -0.624 . . . . 10.0 110.479 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.06 -39.62 93.53 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 112.355 0.502 . . . . 10.0 112.355 -179.141 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 39.6 pttt -52.24 -48.64 65.07 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 113.732 1.012 . . . . 10.0 113.732 -178.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.56 -42.36 95.73 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.06 0.393 . . . . 10.0 112.06 -179.301 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -71.15 -36.87 72.22 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.223 -0.444 . . . . 10.0 111.09 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -66.36 -47.88 71.98 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.307 -0.406 . . . . 10.0 111.154 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -64.36 -35.66 81.59 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.786 0.327 . . . . 10.0 110.759 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 18.6 tp -65.7 -42.07 91.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.161 0.505 . . . . 10.0 110.263 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.83 -31.15 71.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.773 -0.649 . . . . 10.0 110.58 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -60.77 -42.42 97.45 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.682 -0.69 . . . . 10.0 110.685 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 17.0 m -67.91 -28.8 67.81 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.061 0.458 . . . . 10.0 111.903 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -85.64 -24.16 27.2 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.413 -0.358 . . . . 10.0 111.249 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 84.68 34.6 15.5 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.965 -0.636 . . . . 10.0 111.582 -179.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 47.1 pt -128.53 158.05 73.0 Favored Pre-proline 0 C--N 1.327 -0.389 0 N-CA-C 110.182 -0.303 . . . . 10.0 110.182 -179.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -87.55 157.95 7.85 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.525 2.15 . . . . 10.0 112.122 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -133.86 114.13 12.99 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.957 -0.565 . . . . 10.0 109.795 179.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 40.2 mt -117.53 130.42 72.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.506 -0.316 . . . . 10.0 110.399 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -65.01 136.18 56.48 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 108.896 -0.779 . . . . 10.0 108.896 178.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 26.0 m -130.23 147.19 51.93 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.366 0.603 . . . . 10.0 112.476 -177.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 40.0 t -143.63 102.64 3.96 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.897 -0.779 . . . . 10.0 108.897 177.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -68.66 -32.39 72.18 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.069 0.461 . . . . 10.0 110.205 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 31.1 tttp -54.71 -41.75 70.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.463 -0.79 . . . . 10.0 111.916 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.82 11.7 24.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.421 . . . . 10.0 111.817 -179.241 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 50.5 60.28 3.96 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.389 0.614 . . . . 10.0 111.476 -179.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -130.61 119.76 22.98 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.82 -0.627 . . . . 10.0 111.375 -178.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 80.77 -4.8 67.76 Favored Glycine 0 C--O 1.229 -0.188 0 C-N-CA 121.195 -0.526 . . . . 10.0 113.214 178.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 31.6 t -63.59 -55.95 19.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.064 0.459 . . . . 10.0 110.822 -179.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -63.34 -39.59 94.96 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.748 -0.66 . . . . 10.0 111.673 -179.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -57.99 -52.14 66.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.152 -179.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.23 -43.91 95.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 10.0 111.702 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -61.2 -42.96 99.51 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.121 -0.491 . . . . 10.0 111.344 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 21.8 m-30 -67.82 -42.54 81.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.344 -0.389 . . . . 10.0 110.264 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 94.2 m -60.4 -39.84 88.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.092 -0.504 . . . . 10.0 111.167 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 20.9 tp -57.13 -46.49 82.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.096 0.474 . . . . 10.0 111.09 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 53.6 t -74.05 -34.77 39.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.258 0.551 . . . . 10.0 110.409 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 10.3 ttp180 -62.05 -41.73 98.45 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.637 -0.71 . . . . 10.0 111.293 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -61.4 -35.82 78.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.783 0.325 . . . . 10.0 110.924 179.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 66.2 mt -66.58 -41.53 88.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 109.707 -0.479 . . . . 10.0 109.707 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 38.0 ttm105 -70.27 -32.56 70.44 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.077 -0.511 . . . . 10.0 110.082 179.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt . . . . . 0 C--N 1.331 -0.218 0 CA-C-N 115.895 -0.593 . . . . 10.0 109.949 179.143 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 121.059 0.457 . . . . 10.0 110.973 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.23 130.12 36.82 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.674 -179.563 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -97.67 134.97 40.14 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.354 -0.385 . . . . 10.0 110.201 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -126.18 117.67 23.6 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.287 -0.415 . . . . 10.0 109.949 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 51.5 mttm -82.41 114.56 20.94 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.067 -0.515 . . . . 10.0 111.323 -179.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 11.5 mt -110.71 117.24 32.94 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.595 -0.729 . . . . 10.0 110.758 -178.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 48.0 t -102.54 117.67 48.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 120.743 0.306 . . . . 10.0 110.884 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 24.6 t -87.61 111.67 22.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 109.507 -0.553 . . . . 10.0 109.507 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 11.7 m -119.54 154.98 22.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.433 -0.349 . . . . 10.0 111.137 -179.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 154.72 -176.2 32.55 Favored Glycine 0 N--CA 1.443 -0.873 0 N-CA-C 110.889 -0.884 . . . . 10.0 110.889 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.1 -173.3 1.25 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.029 0.442 . . . . 10.0 111.753 -179.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -97.62 143.86 27.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 68.57 26.22 74.52 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.864 -0.684 . . . . 10.0 112.678 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 26.8 m -99.41 -12.19 8.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 111.983 0.364 . . . . 10.0 111.983 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 105.33 23.38 7.66 Favored Glycine 0 CA--C 1.516 0.097 0 C-N-CA 120.825 -0.702 . . . . 10.0 113.246 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 12.4 mtmm -62.0 -42.5 99.22 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.981 0.42 . . . . 10.0 111.937 -179.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 46.1 m -85.45 -34.91 21.55 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.323 -0.399 . . . . 10.0 111.29 -178.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.82 -43.72 90.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.015 0.436 . . . . 10.0 110.252 179.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.3 -49.62 76.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.78 -0.646 . . . . 10.0 110.535 179.337 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 4.5 m -64.06 -45.93 86.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.859 -0.61 . . . . 10.0 112.368 -179.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 97.4 mt -62.76 -37.72 79.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 CA-C-O 120.786 0.327 . . . . 10.0 110.996 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -65.34 -16.7 63.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.903 0.382 . . . . 10.0 110.703 179.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 2.6 tp -98.7 -42.97 6.99 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.954 0.407 . . . . 10.0 110.931 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 50.8 mm -74.07 -58.94 3.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.842 -0.617 . . . . 10.0 112.092 -179.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -95.88 -17.67 20.92 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.646 0.26 . . . . 10.0 111.558 -179.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 67.99 49.2 0.91 Allowed 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 113.496 0.924 . . . . 10.0 113.496 177.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 9.1 p80 -153.17 151.76 30.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.488 -0.324 . . . . 10.0 110.345 178.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -92.5 131.4 37.67 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.384 0.611 . . . . 10.0 111.806 -179.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 21.3 t -97.13 114.79 35.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.607 -0.724 . . . . 10.0 109.074 178.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -72.35 -33.29 67.17 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.338 -0.392 . . . . 10.0 110.603 -179.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -79.45 161.22 26.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 10.0 111.367 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -106.0 120.36 41.56 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.344 -0.389 . . . . 10.0 110.312 179.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -114.12 111.75 47.41 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 116.467 -0.333 . . . . 10.0 111.271 179.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -72.74 78.06 2.15 Favored 'Trans proline' 0 N--CA 1.461 -0.398 0 C-N-CA 122.828 2.352 . . . . 10.0 111.005 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.34 121.9 19.34 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.673 -0.694 . . . . 10.0 111.288 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 43.5 mm -71.31 -46.56 64.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 O-C-N 123.7 0.625 . . . . 10.0 110.007 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -166.83 101.67 0.56 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.329 -0.851 . . . . 10.0 109.295 -179.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -119.34 115.33 23.9 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.842 0.353 . . . . 10.0 111.597 -178.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.25 145.37 24.72 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.269 179.673 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -138.03 140.41 40.09 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.41 -0.359 . . . . 10.0 110.28 179.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -118.05 136.61 53.44 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.871 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 40.0 tttp -151.52 125.41 9.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.342 -0.39 . . . . 10.0 110.532 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -98.4 115.35 28.3 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.517 -0.549 . . . . 10.0 109.517 179.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 2.0 m -135.5 164.44 32.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.95 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 68.9 t -103.47 104.25 16.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 109.473 -0.566 . . . . 10.0 109.473 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 34.4 mt -112.8 131.31 64.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.719 -0.673 . . . . 10.0 109.513 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 61.97 20.31 11.44 Favored 'General case' 0 C--N 1.328 -0.33 0 O-C-N 123.675 0.61 . . . . 10.0 110.279 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.84 7.63 85.45 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.935 -0.65 . . . . 10.0 111.99 -178.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -115.2 127.1 55.3 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.782 0.325 . . . . 10.0 110.625 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -68.88 114.5 7.25 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.705 -0.85 . . . . 10.0 108.705 178.359 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 18.2 m -121.56 148.19 44.83 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.056 0.455 . . . . 10.0 111.866 -178.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 65.4 tp -107.67 120.52 42.46 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 108.564 -0.902 . . . . 10.0 108.564 178.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 22.0 mt -88.19 120.6 29.7 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 112.484 0.55 . . . . 10.0 112.484 -178.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -106.65 74.65 1.02 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 106.918 -1.512 . . . . 10.0 106.918 177.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 8.5 mt -79.4 143.55 12.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.397 -0.82 . . . . 10.0 112.394 -177.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 24.9 tp -133.14 107.59 8.29 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.596 -0.729 . . . . 10.0 110.697 179.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -86.86 116.75 25.14 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.275 -0.639 . . . . 10.0 109.275 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 70.6 p -105.8 174.18 5.99 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.02 0.378 . . . . 10.0 112.02 -178.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -94.8 140.06 30.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.413 -0.358 . . . . 10.0 110.118 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -111.48 36.54 4.14 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.577 -0.82 . . . . 10.0 112.376 -179.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -103.27 22.49 14.04 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.981 0.42 . . . . 10.0 110.814 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 59.62 -154.82 0.36 Allowed 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.373 -0.83 . . . . 10.0 111.755 -179.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 73.7 -46.77 0.64 Allowed 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.29 0.636 . . . . 10.0 112.069 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -76.19 65.79 2.22 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.253 0.464 . . . . 10.0 112.253 -179.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.87 -40.87 62.92 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 121.037 0.446 . . . . 10.0 110.218 179.108 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -77.46 -40.24 43.89 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.92 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 19.1 ttt -63.61 -38.32 90.67 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.325 0.584 . . . . 10.0 110.087 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 68' ' ' ARG . . . . . . . . . . . . . 22.8 ttp180 -62.36 -34.93 77.62 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.862 -0.608 . . . . 10.0 110.52 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -70.41 -23.84 62.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.514 -0.766 . . . . 10.0 111.154 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -81.12 -56.32 4.17 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.652 0.612 . . . . 10.0 112.652 -179.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 71' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -66.48 -23.54 66.28 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 113.033 0.753 . . . . 10.0 113.033 -178.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 41.7 mtt -78.32 -8.56 58.55 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.409 0.623 . . . . 10.0 110.671 178.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 16.4 ttm180 -86.61 -49.64 7.38 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.095 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -75.57 -32.06 60.25 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.248 0.462 . . . . 10.0 112.248 -179.293 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.39 144.37 47.34 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 121.091 -0.576 . . . . 10.0 113.188 -179.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -101.13 -62.49 1.24 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.901 0.382 . . . . 10.0 110.147 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -97.4 129.48 9.91 Favored Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 111.105 -0.798 . . . . 10.0 111.105 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 78' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -107.62 126.48 52.62 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.008 0.432 . . . . 10.0 111.522 -179.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 14.5 tp -97.88 104.54 16.58 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.587 -0.733 . . . . 10.0 109.644 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 1.7 m -84.49 88.53 7.31 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.366 -0.379 . . . . 10.0 110.108 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 57.2 t -92.67 116.57 34.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.046 0.45 . . . . 10.0 110.925 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 7.2 p90 -132.22 145.55 51.4 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.008 -0.542 . . . . 10.0 110.63 179.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -83.56 125.31 31.66 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.52 -0.548 . . . . 10.0 109.52 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 84' ' ' ILE . . . . . . . . . . . . . 8.9 pt -70.15 -12.41 16.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 112.087 0.403 . . . . 10.0 112.087 -179.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 18.6 p-10 -91.96 -5.65 52.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.053 -0.522 . . . . 10.0 110.613 179.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -123.3 112.65 17.87 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.075 0.465 . . . . 10.0 110.066 179.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.3 -31.31 72.43 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.787 -0.642 . . . . 10.0 112.136 -179.135 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 23.0 tptp -61.05 -39.35 89.49 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.23 0.456 . . . . 10.0 112.23 -179.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.93 -36.83 84.7 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.675 0.274 . . . . 10.0 111.253 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -66.47 -39.78 88.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.466 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -67.88 -42.2 81.62 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.396 179.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -63.02 -24.03 67.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.596 -0.729 . . . . 10.0 112.477 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 23.5 mm -57.71 -45.63 86.79 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-O 120.917 0.389 . . . . 10.0 110.653 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 65.9 t60 -65.83 -47.93 73.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.181 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -57.57 -41.44 81.09 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.819 -0.628 . . . . 10.0 111.229 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 9.9 m-30 -70.2 -37.26 75.06 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.642 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 28.0 ttt-85 -65.72 -41.0 92.79 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 120.957 0.408 . . . . 10.0 110.474 179.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -59.42 -39.12 82.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.568 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -66.4 -45.33 80.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.107 179.095 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 95.7 mt -55.57 -47.75 78.36 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.599 179.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 10.9 mtmt -60.85 -35.45 76.61 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.658 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 5.8 tmm_? -71.43 -46.28 60.49 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.894 -0.593 . . . . 10.0 110.935 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 99.4 t -61.63 -49.66 83.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.048 -0.523 . . . . 10.0 111.497 -179.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 17.1 mtpp -87.18 -6.47 58.61 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.638 0.607 . . . . 10.0 112.638 -178.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 22.7 t0 52.24 45.48 28.34 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.228 0.611 . . . . 10.0 111.932 -179.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 67.2 m -150.59 145.75 26.11 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.258 -0.883 . . . . 10.0 109.816 179.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -86.01 -43.25 13.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.117 0.484 . . . . 10.0 110.068 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -78.7 97.91 6.04 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.472 -0.785 . . . . 10.0 110.758 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 72.1 t -129.24 130.55 23.37 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 115.899 -0.591 . . . . 10.0 110.502 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_exo -63.05 107.06 0.59 Allowed 'Trans proline' 0 C--O 1.236 0.379 0 C-N-CA 122.815 2.343 . . . . 10.0 111.432 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 111' ' ' MET . . . . . . . . . . . . . 6.3 mtm -132.99 151.3 52.09 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.576 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 46.3 t -128.67 115.53 37.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.069 -0.514 . . . . 10.0 109.739 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 18.9 tp -82.56 112.29 19.33 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.578 -0.527 . . . . 10.0 109.578 179.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 59.9 t -115.37 124.2 71.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 116.031 -0.531 . . . . 10.0 111.705 -178.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -99.58 113.47 4.73 Favored Glycine 0 N--CA 1.441 -0.985 0 N-CA-C 109.669 -1.373 . . . . 10.0 109.669 178.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -98.71 164.63 12.15 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 117.17 0.485 . . . . 10.0 111.153 -178.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 99.6 mttt 66.45 32.43 7.48 Favored 'General case' 0 C--O 1.233 0.227 0 O-C-N 123.757 0.66 . . . . 10.0 111.426 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 118' ' ' CYS . . . . . . . . . . . . . 67.8 m -73.33 -21.52 60.53 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.747 0.647 . . . . 10.0 112.747 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -84.11 -3.77 58.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.791 0.329 . . . . 10.0 111.666 -179.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 29.8 mt -80.34 146.89 63.05 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 116.565 -0.289 . . . . 10.0 110.269 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -70.3 132.78 23.16 Favored 'Trans proline' 0 C--O 1.237 0.454 0 C-N-CA 122.528 2.152 . . . . 10.0 112.629 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 5.1 m 71.92 112.07 0.06 Allowed 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 113.229 0.826 . . . . 10.0 113.229 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 11.0 ptp180 -113.65 138.2 50.53 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.663 -0.699 . . . . 10.0 110.236 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 3.4 p -83.55 -41.9 17.41 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.082 0.468 . . . . 10.0 110.186 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 50.4 t -95.22 106.57 18.39 Favored 'Isoleucine or valine' 0 C--O 1.238 0.469 0 N-CA-C 108.725 -0.842 . . . . 10.0 108.725 178.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -64.92 147.2 53.81 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.793 -0.639 . . . . 10.0 110.045 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.25 -39.24 69.52 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.244 -0.435 . . . . 10.0 111.265 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 36.6 mtmm -64.6 -44.28 91.09 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.383 0.512 . . . . 10.0 112.383 -178.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -74.83 -26.93 60.05 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.732 0.301 . . . . 10.0 111.706 -179.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -75.27 -41.33 57.5 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.387 0.613 . . . . 10.0 109.822 179.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -74.24 -31.69 62.69 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.728 -0.669 . . . . 10.0 111.328 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -59.81 -38.34 81.71 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.151 0.5 . . . . 10.0 110.712 179.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 28.4 tp -63.3 -38.83 92.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.793 -0.64 . . . . 10.0 110.334 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -68.9 -22.91 64.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.569 -0.741 . . . . 10.0 110.996 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -62.96 -46.88 85.67 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.064 -0.516 . . . . 10.0 111.166 179.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 71.7 m -72.53 -25.83 61.53 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.233 -0.44 . . . . 10.0 111.306 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 12.6 m-30 -78.27 -45.65 22.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.998 0.427 . . . . 10.0 110.853 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 100.95 27.32 7.47 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.775 -0.726 . . . . 10.0 112.142 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 28.6 pt -125.77 148.91 63.96 Favored Pre-proline 0 C--N 1.328 -0.345 0 N-CA-C 110.31 -0.256 . . . . 10.0 110.31 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_exo -75.68 147.17 31.12 Favored 'Trans proline' 0 CA--C 1.534 0.52 0 C-N-CA 123.049 2.5 . . . . 10.0 112.318 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -112.82 137.91 50.45 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.658 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 22.2 mt -131.68 133.05 61.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.461 -0.336 . . . . 10.0 110.754 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -88.23 140.18 29.74 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.889 -0.782 . . . . 10.0 108.889 177.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 38.9 p -139.19 174.93 10.0 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.529 0.68 . . . . 10.0 112.358 -178.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 8.2 t -159.15 121.57 3.54 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.906 -1.043 . . . . 10.0 108.837 178.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -79.02 -25.67 43.25 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 109.679 -0.489 . . . . 10.0 109.679 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -70.76 -48.37 54.73 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.506 -0.77 . . . . 10.0 111.679 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 37.7 p -95.26 -5.23 44.16 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 113.156 0.798 . . . . 10.0 113.156 -178.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.66 54.18 3.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.026 0.441 . . . . 10.0 111.377 -179.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -120.73 140.41 51.69 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.317 -0.401 . . . . 10.0 110.892 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 80.42 -18.91 7.61 Favored Glycine 0 C--O 1.228 -0.268 0 N-CA-C 114.827 0.691 . . . . 10.0 114.827 178.045 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 97.4 t -55.03 -47.65 76.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 117.353 0.576 . . . . 10.0 112.38 -179.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.08 -51.37 69.44 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.857 -179.522 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -60.91 -45.2 95.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.972 -0.558 . . . . 10.0 112.399 -179.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -57.37 -53.09 62.05 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.216 -0.447 . . . . 10.0 112.111 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -66.3 -36.93 84.21 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.125 0.416 . . . . 10.0 112.125 -179.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -67.76 -42.63 81.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.808 0.337 . . . . 10.0 110.984 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 75.1 m -68.45 -31.84 71.42 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.338 -0.392 . . . . 10.0 111.452 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 53.7 tp -59.78 -42.69 93.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.917 0.389 . . . . 10.0 110.393 179.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 90.8 t -70.24 -37.36 71.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.91 -0.586 . . . . 10.0 109.799 179.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 6.4 ttp-105 -61.11 -37.67 83.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.517 -0.765 . . . . 10.0 110.599 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -63.3 -35.95 82.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.95 179.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 54.9 mt -68.01 -40.22 82.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 109.413 -0.588 . . . . 10.0 109.413 178.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 31.3 mtp180 -63.97 -39.77 94.89 Favored 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 108.906 -0.776 . . . . 10.0 108.906 178.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -61.99 -40.92 97.28 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.043 -0.98 . . . . 10.0 109.823 178.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 44.5 t-80 -62.48 -45.79 91.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.296 -0.411 . . . . 10.0 110.467 179.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 68.1 mttm . . . . . 0 C--O 1.234 0.267 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.273 179.318 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 6.6 tmtm? . . . . . 0 N--CA 1.463 0.209 0 CA-C-O 120.977 0.418 . . . . 10.0 111.659 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 81.9 mt -71.25 -25.72 62.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.307 -0.406 . . . . 10.0 111.95 -179.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 72.5 mt -85.98 -40.13 16.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.908 0.385 . . . . 10.0 110.478 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -60.14 -46.72 88.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.749 -0.66 . . . . 10.0 110.327 178.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -68.24 -30.88 70.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.552 -0.749 . . . . 10.0 111.127 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 9.6 t90 -65.68 -35.1 79.81 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 116.232 -0.44 . . . . 10.0 110.408 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -62.9 -40.56 97.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.382 -0.372 . . . . 10.0 110.685 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 1.4 m -64.0 -33.95 76.89 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.143 0.496 . . . . 10.0 109.809 178.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 59.3 t -72.93 -44.04 58.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 109.34 -0.615 . . . . 10.0 109.34 178.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 19.3 m -60.66 -44.53 96.32 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.606 -0.724 . . . . 10.0 111.176 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 2.2 p -63.54 -40.09 96.1 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.927 -0.397 . . . . 10.0 109.927 179.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 72.4 m -64.08 -42.0 97.1 Favored 'General case' 0 CA--C 1.529 0.156 0 N-CA-C 109.282 -0.636 . . . . 10.0 109.282 178.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -60.48 -45.71 92.74 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.394 178.592 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 16.7 m -60.05 -51.99 67.28 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.651 -0.704 . . . . 10.0 110.467 179.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -59.44 -41.73 90.26 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.274 -0.421 . . . . 10.0 111.131 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 18.2 mt -65.81 -44.51 85.43 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.598 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 80.1 mtt180 -64.7 -41.84 95.72 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.534 -0.303 . . . . 10.0 111.299 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -65.24 -28.97 69.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.996 0.427 . . . . 10.0 110.771 179.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -85.28 -23.48 28.14 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.972 -0.558 . . . . 10.0 109.912 178.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 37.3 mt -61.42 -31.41 71.34 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.352 179.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -57.16 -65.37 3.62 Favored Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 110.932 -0.867 . . . . 10.0 110.932 178.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_exo -55.47 -38.75 93.71 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.518 2.145 . . . . 10.0 111.1 177.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 44.8 t -57.99 -52.88 52.75 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.152 0 CA-C-N 116.63 -0.259 . . . . 10.0 110.917 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 8.5 p -65.9 -36.58 83.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.737 0.303 . . . . 10.0 110.85 -179.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -62.52 -52.54 63.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.7 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -66.17 -39.8 90.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.797 179.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -63.22 -43.33 98.41 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.968 -0.56 . . . . 10.0 109.912 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -66.97 -37.62 84.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.794 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -59.97 -45.79 91.54 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.598 0.713 . . . . 10.0 109.198 178.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -67.43 -39.93 85.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.043 -0.981 . . . . 10.0 109.528 178.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 24.1 mt -60.19 -41.09 92.19 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 116.101 -0.5 . . . . 10.0 110.02 179.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -64.08 -36.87 85.42 Favored 'General case' 0 C--O 1.221 -0.401 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.535 179.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 71.9 mttt -69.95 -38.76 76.22 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.969 -0.752 . . . . 10.0 108.969 178.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -63.73 -48.24 77.84 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.484 -0.78 . . . . 10.0 109.626 178.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 1.2 p -68.78 -31.73 70.96 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.22 179.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -59.81 -49.13 78.92 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 109.145 -0.687 . . . . 10.0 109.145 177.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -62.15 -42.28 99.72 Favored Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 110.53 -1.028 . . . . 10.0 110.53 178.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 52.1 mt -66.55 -26.9 67.35 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.616 0.246 . . . . 10.0 111.576 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 46.2 mtt180 -69.85 -41.02 75.42 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.185 -0.672 . . . . 10.0 109.185 178.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -72.27 -37.14 69.11 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.529 -0.915 . . . . 10.0 108.529 178.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -64.29 -33.2 75.28 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 115.02 -0.991 . . . . 10.0 109.81 178.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 38.4 ttm -58.96 -38.39 78.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.008 0.432 . . . . 10.0 110.014 179.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 4.7 m -77.14 9.19 3.21 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 115.792 -0.64 . . . . 10.0 111.331 179.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -129.87 -65.56 0.83 Allowed 'General case' 0 C--O 1.223 -0.29 0 N-CA-C 109.583 -0.525 . . . . 10.0 109.583 178.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 246' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -54.14 -39.12 66.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.584 -0.734 . . . . 10.0 111.763 -179.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . 35.4 mt -96.82 -42.63 7.87 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.947 0.351 . . . . 10.0 111.947 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -65.01 -45.85 83.79 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.918 0.71 . . . . 10.0 112.918 -179.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -66.49 -39.3 88.66 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-O 120.992 0.425 . . . . 10.0 110.119 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 250' ' ' VAL . . . . . . . . . . . . . 1.6 p -71.4 -28.97 33.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.384 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 71.0 tttt -80.05 -36.49 35.62 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.409 0.623 . . . . 10.0 109.773 179.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -69.55 -34.32 74.04 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.828 -0.624 . . . . 10.0 109.797 178.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 253' ' ' LYS . . . . . 0.423 ' HZ2' ' CD ' ' D' ' 524' ' ' GLU . 91.9 mttt -91.73 -15.37 28.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.691 -0.686 . . . . 10.0 112.024 -179.706 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 254' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -63.8 -25.23 37.73 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 CA-C-O 120.717 0.294 . . . . 10.0 110.724 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -66.21 -63.47 3.11 Favored Pre-proline 0 CA--C 1.534 0.356 0 CA-C-N 116.057 -0.519 . . . . 10.0 110.869 179.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -62.44 -32.06 80.76 Favored 'Trans proline' 0 C--N 1.358 1.038 0 C-N-CA 121.784 1.656 . . . . 10.0 112.228 179.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 9.5 m-30 -67.96 -51.1 51.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.542 -0.299 . . . . 10.0 110.343 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 22.2 mt -70.7 -34.18 71.68 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 116.64 -0.255 . . . . 10.0 110.715 179.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -63.63 -48.76 75.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.507 -0.315 . . . . 10.0 110.672 179.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 260' ' ' ASP . . . . . 0.414 ' CG ' ' HZ3' ' A' ' 264' ' ' LYS . 25.4 t70 -63.05 -46.64 86.55 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.338 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 2.7 m-30 -64.4 -28.75 69.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 10.0 110.443 179.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.42 -46.25 64.3 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 109.277 -0.638 . . . . 10.0 109.277 178.469 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 27.2 mtmt -61.25 -41.25 96.59 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.209 -0.663 . . . . 10.0 109.209 178.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 264' ' ' LYS . . . . . 0.414 ' HZ3' ' CG ' ' A' ' 260' ' ' ASP . 12.6 mptt -64.41 -45.39 87.81 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.706 -0.679 . . . . 10.0 109.368 178.442 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 1.3 m95 -61.17 -41.51 96.9 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.273 -0.421 . . . . 10.0 110.314 179.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -57.36 -48.34 79.29 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.411 -0.589 . . . . 10.0 109.411 178.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -64.09 -45.07 90.31 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 115.709 -0.678 . . . . 10.0 110.251 178.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -56.76 -46.2 81.59 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.865 179.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 73.5 mmm -69.45 -39.91 77.48 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.866 -0.606 . . . . 10.0 110.509 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -66.55 -43.9 83.82 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.669 -0.242 . . . . 10.0 110.879 179.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 86.7 mt -59.83 -34.64 73.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.149 0.499 . . . . 10.0 109.912 179.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -80.65 -36.6 32.27 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.725 -0.67 . . . . 10.0 111.061 179.289 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 72.4 mtt180 -69.49 -40.43 77.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.488 -0.324 . . . . 10.0 111.097 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -68.02 -31.22 70.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.03 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 275' ' ' LYS . . . . . . . . . . . . . 57.2 mttp -92.08 -28.08 17.36 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.733 0.642 . . . . 10.0 112.733 -179.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 5.2 p -61.3 -32.57 53.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 112.227 0.455 . . . . 10.0 112.227 -178.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -64.19 -60.71 8.09 Favored Pre-proline 0 C--N 1.327 -0.41 0 N-CA-C 112.097 0.406 . . . . 10.0 112.097 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -62.28 -35.28 74.69 Favored 'Trans proline' 0 C--N 1.354 0.851 0 C-N-CA 121.779 1.652 . . . . 10.0 111.524 178.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 39.2 mt -66.3 -47.25 74.19 Favored 'General case' 0 C--O 1.226 -0.155 0 CA-C-N 116.483 -0.326 . . . . 10.0 110.781 179.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -61.84 -35.88 79.55 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.872 -0.418 . . . . 10.0 109.872 179.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -62.07 -50.08 73.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.74 179.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -68.38 -37.29 80.26 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.929 -0.308 . . . . 10.0 110.78 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 92.1 mt -63.6 -40.76 97.76 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 109.399 -0.593 . . . . 10.0 109.399 178.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -65.54 -43.15 90.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.78 -0.646 . . . . 10.0 109.44 178.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -59.85 -49.25 78.46 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.868 -0.605 . . . . 10.0 109.466 178.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -60.5 -42.11 98.95 Favored Glycine 0 N--CA 1.441 -1.024 0 N-CA-C 110.996 -0.842 . . . . 10.0 110.996 178.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -61.08 -44.98 96.55 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 110.218 -0.289 . . . . 10.0 110.218 179.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 16.9 mtt180 -58.65 -48.52 80.78 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.343 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 6.1 tm0? -63.62 -42.95 98.13 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.987 -0.551 . . . . 10.0 111.101 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 58.3 mttt -65.92 -42.75 89.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 10.0 110.543 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 71.5 mt -67.08 -35.55 80.06 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.288 -0.634 . . . . 10.0 109.288 178.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.96 -47.5 74.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.56 -0.745 . . . . 10.0 109.485 178.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.17 -34.99 72.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.987 -0.552 . . . . 10.0 109.578 179.116 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 31.6 mt -68.95 -45.82 69.76 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 115.521 -0.763 . . . . 10.0 109.589 178.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -63.04 -32.8 74.25 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.161 0.505 . . . . 10.0 110.664 179.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -65.06 -14.93 61.69 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.692 -0.685 . . . . 10.0 110.487 179.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -114.08 -35.7 4.97 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.044 -0.526 . . . . 10.0 110.654 179.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 21.7 mt -57.49 -34.8 69.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.251 -0.431 . . . . 10.0 111.587 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 299' ' ' SER . . . . . . . . . . . . . 3.4 m -74.14 -62.1 1.11 Allowed Pre-proline 0 C--N 1.324 -0.508 0 N-CA-C 112.313 0.486 . . . . 10.0 112.313 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 300' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -63.83 -50.71 2.88 Favored 'Trans proline' 0 C--N 1.358 1.05 0 C-N-CA 121.745 1.63 . . . . 10.0 112.816 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 75.6 mt -68.32 -24.55 64.84 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 110.091 -0.337 . . . . 10.0 110.091 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -74.65 -49.76 10.43 Favored Glycine 0 N--CA 1.446 -0.699 0 N-CA-C 110.119 -1.192 . . . . 10.0 110.119 178.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -60.87 -40.78 94.26 Favored 'General case' 0 CA--C 1.519 -0.236 0 N-CA-C 108.873 -0.788 . . . . 10.0 108.873 178.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -63.34 -37.24 86.5 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.503 -0.771 . . . . 10.0 109.859 178.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 8.5 tpt -68.19 -39.34 82.49 Favored 'General case' 0 CA--C 1.516 -0.341 0 N-CA-C 109.933 -0.395 . . . . 10.0 109.933 179.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -67.71 -39.0 84.37 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.755 -0.657 . . . . 10.0 109.48 178.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -69.15 -41.57 77.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.004 -0.544 . . . . 10.0 109.898 178.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 9.3 mmt180 -66.51 -32.86 74.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.938 -0.573 . . . . 10.0 109.55 178.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -66.16 -33.69 76.34 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 109.061 -0.718 . . . . 10.0 109.061 177.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 310' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -59.2 -51.26 70.74 Favored 'General case' 0 C--O 1.221 -0.407 0 N-CA-C 108.612 -0.884 . . . . 10.0 108.612 178.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -65.76 -39.22 90.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.413 179.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -58.34 -51.75 68.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 10.0 110.49 179.713 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 76.3 t -73.59 -36.97 48.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.549 -0.751 . . . . 10.0 111.077 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -60.67 -49.75 76.26 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.865 -0.421 . . . . 10.0 109.865 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -62.39 -36.2 81.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.631 -0.713 . . . . 10.0 109.854 179.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 7.1 mt -65.9 -47.46 74.72 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-N 115.748 -0.66 . . . . 10.0 109.307 178.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 21.6 mtm105 -60.58 -46.67 89.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.339 -0.391 . . . . 10.0 110.952 179.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 48.7 m -59.79 -29.09 67.98 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.932 -0.576 . . . . 10.0 111.121 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -90.03 -37.13 14.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.429 -0.35 . . . . 10.0 110.966 179.455 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 60.0 mt -65.85 -31.87 73.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.569 -0.287 . . . . 10.0 111.606 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -55.29 -60.86 7.13 Favored Pre-proline 0 CA--C 1.535 0.372 0 O-C-N 123.085 0.241 . . . . 10.0 111.545 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -66.32 -37.18 24.84 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 121.423 1.415 . . . . 10.0 110.915 178.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 9.2 m-30 -58.72 -47.73 83.57 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.357 -0.383 . . . . 10.0 111.808 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 14.8 p -63.1 -40.23 97.03 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 123.134 0.271 . . . . 10.0 111.08 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -66.04 -40.02 90.66 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.448 -0.575 . . . . 10.0 109.448 178.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -65.11 -38.65 91.36 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 108.686 -0.857 . . . . 10.0 108.686 177.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 32.7 mt -66.55 -36.31 82.35 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.962 -0.563 . . . . 10.0 109.882 178.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -61.99 -43.83 98.01 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.003 -0.74 . . . . 10.0 109.003 178.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -66.42 -38.88 88.43 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.819 -0.628 . . . . 10.0 109.316 178.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 32.2 mtt180 -60.86 -48.08 83.43 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 109.392 -0.596 . . . . 10.0 109.392 178.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 67.6 mt -62.35 -43.65 98.32 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.543 -0.753 . . . . 10.0 110.259 179.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -61.03 -51.9 67.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.286 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -60.02 -43.98 94.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.668 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 7.7 mmt180 -63.93 -47.41 80.64 Favored 'General case' 0 C--O 1.225 -0.209 0 CA-C-N 116.296 -0.411 . . . . 10.0 109.91 179.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 49.8 mt -61.78 -42.63 99.25 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 116.28 -0.418 . . . . 10.0 110.774 179.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -60.33 -47.38 86.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.644 -0.253 . . . . 10.0 110.563 179.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -65.2 -44.2 89.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.224 -0.443 . . . . 10.0 109.958 179.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 54.7 mt -65.53 -19.68 66.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.75 -0.659 . . . . 10.0 111.094 179.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -81.84 -40.98 21.69 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.653 -0.499 . . . . 10.0 109.653 178.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -67.49 -55.82 12.03 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 108.527 -0.916 . . . . 10.0 108.527 178.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -62.32 -43.87 97.82 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.15 -0.932 . . . . 10.0 110.098 179.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -60.25 -47.73 89.64 Favored Glycine 0 C--O 1.227 -0.318 0 CA-C-N 115.707 -0.678 . . . . 10.0 112.032 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -61.44 -42.42 99.76 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.752 -0.737 . . . . 10.0 111.399 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -64.62 -42.49 95.48 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 110.093 -0.336 . . . . 10.0 110.093 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 41.1 mtm180 -66.94 -41.16 87.43 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.381 179.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 75.6 mt -57.76 -47.68 81.8 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 110.038 -0.356 . . . . 10.0 110.038 179.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -65.83 -41.26 92.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.06 178.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -61.85 -45.7 92.66 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.824 -0.625 . . . . 10.0 110.245 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -65.23 -30.03 70.88 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.417 179.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -67.58 -46.71 71.84 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 109.434 -0.58 . . . . 10.0 109.434 178.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -64.8 -41.21 95.99 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.755 -0.831 . . . . 10.0 108.755 178.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 5.7 mtmm -59.4 -45.9 90.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.572 -0.74 . . . . 10.0 109.695 178.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -62.4 -40.18 95.65 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.841 -0.618 . . . . 10.0 109.781 178.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 25.7 m -60.99 -45.42 94.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.489 . . . . 10.0 110.136 178.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -66.52 -39.9 88.87 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.062 0.458 . . . . 10.0 110.04 179.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -65.76 -36.12 82.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.068 178.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 46.1 mt -64.33 -42.05 96.48 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.14 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.45 -49.59 76.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.892 0.377 . . . . 10.0 110.468 179.376 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 1.5 m -66.19 -30.04 70.43 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.447 179.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 7.3 tt -70.38 -32.71 70.49 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.12 -0.696 . . . . 10.0 109.12 178.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 30.8 m -67.0 -31.03 71.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.961 -0.563 . . . . 10.0 109.801 179.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -68.98 -15.55 63.51 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.63 0.728 . . . . 10.0 109.329 178.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 363' ' ' LYS . . . . . . . . . . . . . 82.3 mttt -97.12 -43.03 7.57 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.545 -0.909 . . . . 10.0 108.545 178.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -64.16 -31.87 73.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.358 -0.837 . . . . 10.0 112.604 -179.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 57.9 mttt -105.86 -75.0 0.02 OUTLIER Pre-proline 0 CA--C 1.538 0.489 0 N-CA-C 113.107 0.78 . . . . 10.0 113.107 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -58.28 -51.54 7.36 Favored 'Trans proline' 0 C--N 1.354 0.832 0 C-N-CA 122.269 1.979 . . . . 10.0 113.63 -178.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 367' ' ' ALA . . . . . . . . . . . . . . . -61.29 -53.39 57.44 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.586 0.217 . . . . 10.0 111.586 -179.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 15.9 mt -58.64 -38.51 78.26 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.773 -0.194 . . . . 10.0 111.474 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -64.46 -49.95 69.42 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.835 -0.431 . . . . 10.0 109.835 179.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -60.58 -37.67 82.07 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.328 179.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 49.9 mt -66.68 -42.94 85.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.703 -0.681 . . . . 10.0 110.164 179.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 57.8 mtt85 -66.5 -40.24 89.14 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.738 -0.468 . . . . 10.0 109.738 178.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -63.66 -20.6 65.83 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.034 178.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -93.99 -35.11 6.19 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 110.824 -0.91 . . . . 10.0 110.824 178.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 41.4 mt -65.97 -39.61 90.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.825 -0.188 . . . . 10.0 111.112 179.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 92.3 mt -50.57 -60.23 5.79 Favored Pre-proline 0 CA--C 1.537 0.473 0 N-CA-C 112.892 0.701 . . . . 10.0 112.892 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -64.27 -32.2 62.32 Favored 'Trans proline' 0 C--N 1.355 0.873 0 C-N-CA 122.109 1.873 . . . . 10.0 111.496 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 25.1 t -65.73 -39.99 86.48 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 N-CA-C 109.612 -0.514 . . . . 10.0 109.612 178.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 88.8 mt -62.37 -35.43 79.15 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.097 -0.501 . . . . 10.0 110.098 178.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -60.89 -49.87 75.71 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.447 -0.575 . . . . 10.0 109.447 179.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.25 -42.03 90.15 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.989 -0.551 . . . . 10.0 110.218 179.21 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -64.45 -42.88 95.71 Favored 'General case' 0 C--O 1.221 -0.445 0 CA-C-N 115.724 -0.671 . . . . 10.0 110.835 179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -62.28 -46.26 89.57 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.818 0.342 . . . . 10.0 110.589 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 89.5 t -61.05 -49.78 83.29 Favored 'Isoleucine or valine' 0 C--O 1.236 0.395 0 CA-C-N 116.097 -0.502 . . . . 10.0 110.992 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 8.7 p -65.78 -35.43 80.69 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.389 -0.369 . . . . 10.0 111.275 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -61.54 -45.26 94.93 Favored 'General case' 0 CA--C 1.52 -0.202 0 N-CA-C 109.319 -0.623 . . . . 10.0 109.319 178.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 79.0 mt -64.31 -40.52 96.09 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.146 179.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 38.3 m -63.24 -45.27 92.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.913 -0.585 . . . . 10.0 109.931 179.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -64.41 -41.85 96.41 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.921 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 26.7 mt -58.69 -48.86 79.67 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.158 -0.474 . . . . 10.0 109.946 179.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -60.99 -41.24 96.1 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.487 179.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -56.35 -55.71 30.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 10.0 111.467 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -61.93 -35.62 78.96 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.208 -0.451 . . . . 10.0 111.618 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 23.7 m -67.53 -44.84 77.37 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.369 -0.378 . . . . 10.0 111.293 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -68.99 -40.91 78.46 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.41 0.522 . . . . 10.0 112.41 -179.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -75.36 -36.06 61.03 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 113.512 0.93 . . . . 10.0 113.512 -177.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 64.8 mt -92.59 14.5 16.74 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.45 0.537 . . . . 10.0 112.45 -179.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 64.1 t30 . . . . . 0 C--N 1.323 -0.55 0 CA-C-N 116.662 -0.245 . . . . 10.0 110.885 179.558 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 2.9 mm? . . . . . 0 C--O 1.235 0.299 0 CA-C-O 121.499 0.666 . . . . 10.0 109.839 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -87.74 7.69 29.11 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.443 -0.799 . . . . 10.0 110.471 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 75.7 mt -61.72 -39.44 91.52 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.725 -0.671 . . . . 10.0 109.677 179.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 36.7 mt -63.85 -38.13 89.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.652 -0.703 . . . . 10.0 110.633 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -62.22 -53.27 57.62 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 115.897 -0.592 . . . . 10.0 109.719 179.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -60.05 -40.6 89.99 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.656 -0.702 . . . . 10.0 110.696 -179.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 4.7 m95 -56.39 -43.64 79.48 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.376 -0.375 . . . . 10.0 111.06 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -64.87 -43.59 92.46 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.935 0.398 . . . . 10.0 110.194 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 1.8 m -61.0 -42.18 97.95 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.678 -0.692 . . . . 10.0 110.733 178.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 61.7 t -65.86 -41.79 90.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 121.012 0.434 . . . . 10.0 109.866 178.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 19.8 m -63.7 -31.67 72.91 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.311 178.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 27.2 m -64.3 -45.63 87.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.348 179.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.01 -33.05 74.72 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 120.708 0.29 . . . . 10.0 110.701 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 11.7 m-30 -65.86 -45.52 81.83 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.426 -0.583 . . . . 10.0 109.426 178.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 13.3 m -62.97 -38.22 90.24 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 109.35 -0.611 . . . . 10.0 109.35 178.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 29.3 mmtt -65.6 -35.14 79.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.686 -0.688 . . . . 10.0 110.505 178.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.38 -40.8 85.73 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.422 -0.584 . . . . 10.0 109.422 179.006 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -66.01 -34.94 79.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.39 -0.823 . . . . 10.0 109.829 178.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -66.07 -34.78 78.85 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.784 -0.643 . . . . 10.0 109.854 178.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -72.65 -48.69 37.25 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 108.866 -0.79 . . . . 10.0 108.866 178.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 14.0 mt -45.52 -46.51 13.96 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-N 115.05 -0.977 . . . . 10.0 112.901 -179.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -48.97 -77.81 0.11 Allowed Glycine 0 C--N 1.334 0.426 0 O-C-N 123.677 0.611 . . . . 10.0 113.276 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -57.38 -36.4 98.85 Favored 'Trans proline' 0 C--O 1.233 0.275 0 C-N-CA 122.571 2.181 . . . . 10.0 112.717 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 25.7 t -62.25 -48.31 89.02 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.343 0 N-CA-C 112.079 0.4 . . . . 10.0 112.079 -179.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 25.5 p -68.67 -35.74 77.61 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 121.058 -0.257 . . . . 10.0 110.768 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -57.05 -51.33 69.68 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.172 -0.467 . . . . 10.0 109.767 178.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -76.92 -27.73 55.02 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-N 116.272 -0.422 . . . . 10.0 111.195 179.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -64.5 -42.0 96.1 Favored 'General case' 0 CA--C 1.52 -0.191 0 N-CA-C 109.602 -0.518 . . . . 10.0 109.602 178.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 38.8 m0 -67.62 -40.03 84.7 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.977 -0.749 . . . . 10.0 108.977 178.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -63.56 -39.45 94.42 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 108.511 -0.922 . . . . 10.0 108.511 178.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -65.22 -42.61 93.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.171 -0.922 . . . . 10.0 109.459 178.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 57.1 mt -60.46 -35.36 75.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.005 -0.543 . . . . 10.0 109.572 178.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -69.19 -35.95 76.81 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.71 -0.677 . . . . 10.0 109.61 177.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 31.5 mttp -64.44 -46.66 82.19 Favored 'General case' 0 CA--C 1.519 -0.243 0 N-CA-C 107.921 -1.14 . . . . 10.0 107.921 177.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -62.49 -49.86 73.7 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 114.961 -1.018 . . . . 10.0 110.857 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 1.5 p -59.61 -50.87 72.21 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 121.302 -0.159 . . . . 10.0 111.226 179.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -60.8 -49.37 77.77 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.61 0.243 . . . . 10.0 110.678 179.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -58.74 -47.07 92.26 Favored Glycine 0 N--CA 1.453 -0.218 0 N-CA-C 111.518 -0.633 . . . . 10.0 111.518 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 61.9 mt -64.86 -33.94 77.19 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 110.275 -0.269 . . . . 10.0 110.275 179.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 69.2 mtt180 -62.08 -37.67 85.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.521 -0.308 . . . . 10.0 111.409 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -56.37 -51.34 68.68 Favored 'General case' 0 C--O 1.235 0.299 0 O-C-N 123.653 0.596 . . . . 10.0 110.22 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.28 -23.81 47.06 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.221 -0.9 . . . . 10.0 110.762 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 2.3 mmm -62.9 -49.82 73.3 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.885 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.28 -41.21 98.97 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 109.427 -0.582 . . . . 10.0 109.427 179.177 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -63.02 -39.77 95.76 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.004 179.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -69.99 -50.19 44.1 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.389 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 83.4 mt -63.94 -55.47 22.29 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.835 0.68 . . . . 10.0 112.835 -179.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -58.7 -50.22 74.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.727 0.298 . . . . 10.0 111.675 -178.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 447' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -67.36 -29.46 69.0 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.771 -0.372 . . . . 10.0 111.113 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -63.7 -32.4 56.76 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.343 0 N-CA-C 109.837 -0.431 . . . . 10.0 109.837 179.102 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -67.9 -43.51 79.1 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.722 -0.844 . . . . 10.0 108.722 178.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -78.88 6.65 8.66 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.214 -0.903 . . . . 10.0 110.472 179.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 43.5 mttm -115.76 -47.73 2.79 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.184 179.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 80.1 t -67.6 -42.22 86.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 10.0 111.516 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -55.32 -58.78 13.4 Favored Pre-proline 0 CA--C 1.536 0.412 0 C-N-CA 121.175 -0.21 . . . . 10.0 111.2 179.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -67.54 -24.08 42.56 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 121.762 1.641 . . . . 10.0 111.774 178.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -70.32 -40.69 74.03 Favored 'General case' 0 CA--C 1.52 -0.186 0 N-CA-C 109.051 -0.722 . . . . 10.0 109.051 178.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 17.5 mt -65.76 -39.72 91.34 Favored 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 108.653 -0.869 . . . . 10.0 108.653 177.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -63.08 -45.88 90.02 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 115.535 -0.757 . . . . 10.0 109.372 178.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -61.96 -43.54 98.63 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.251 -0.886 . . . . 10.0 110.338 179.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -67.11 -46.49 74.04 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.503 179.208 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -55.77 -38.99 70.62 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.447 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 56.0 mttt -59.76 -48.56 81.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 10.0 110.193 179.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 26.6 mtmm -70.14 -35.28 73.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.703 179.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 31.3 m0 -63.75 -43.52 96.21 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.374 -0.602 . . . . 10.0 109.374 178.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -66.59 -37.38 84.8 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.331 178.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 465' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -61.75 -50.7 71.33 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 108.437 -0.949 . . . . 10.0 108.437 177.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.32 -43.94 95.91 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.685 -0.688 . . . . 10.0 110.086 179.027 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 34.6 ttm -57.15 -51.29 69.89 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.132 -0.486 . . . . 10.0 110.498 179.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -65.34 -34.12 77.57 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.638 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 469' ' ' LEU . . . . . . . . . . . . . 60.7 mt -67.59 -37.93 83.3 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-N 116.28 -0.418 . . . . 10.0 109.883 178.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -65.67 -30.19 70.85 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.896 0.379 . . . . 10.0 110.42 179.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 66.7 mtt180 -79.32 -23.72 43.28 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.075 0.464 . . . . 10.0 111.013 179.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -99.51 -8.03 25.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.214 -0.448 . . . . 10.0 111.572 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 473' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -123.0 -66.92 0.98 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.577 -0.283 . . . . 10.0 111.518 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 52.9 t -54.81 -48.2 73.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 10.0 112.15 -179.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -58.24 -59.49 13.19 Favored Pre-proline 0 CA--C 1.533 0.299 0 N-CA-C 112.213 0.449 . . . . 10.0 112.213 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -60.04 -41.82 49.3 Favored 'Trans proline' 0 C--N 1.353 0.813 0 C-N-CA 121.811 1.674 . . . . 10.0 111.83 178.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 29.3 mt -62.39 -32.87 73.75 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-O 120.769 0.319 . . . . 10.0 110.237 178.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -63.6 -39.6 94.8 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.604 -0.725 . . . . 10.0 109.335 179.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -68.15 -44.33 76.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.79 -0.641 . . . . 10.0 109.533 178.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -63.52 -42.19 98.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.947 -0.57 . . . . 10.0 110.096 178.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 19.8 mt -67.0 -29.76 69.67 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.416 -0.586 . . . . 10.0 109.416 178.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -70.82 -40.64 72.33 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 108.65 -0.87 . . . . 10.0 108.65 178.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.51 -43.19 90.86 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.079 -0.712 . . . . 10.0 109.079 178.388 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -65.16 -35.69 92.0 Favored Glycine 0 N--CA 1.446 -0.689 0 N-CA-C 110.381 -1.087 . . . . 10.0 110.381 178.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -67.75 -42.95 80.99 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 109.532 -0.544 . . . . 10.0 109.532 178.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 70.5 mtt180 -62.13 -42.14 98.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.466 . . . . 10.0 109.892 178.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -66.1 -43.01 88.49 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.631 -0.713 . . . . 10.0 109.373 178.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 62.8 tttt -64.6 -36.89 85.71 Favored 'General case' 0 C--O 1.225 -0.185 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.055 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 66.9 mt -64.54 -39.84 94.5 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 109.059 -0.719 . . . . 10.0 109.059 178.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 37.5 t-80 -64.67 -46.96 80.22 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.068 -1.086 . . . . 10.0 108.068 177.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -55.51 -44.98 77.11 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.521 -0.763 . . . . 10.0 109.055 178.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 55.8 mt -64.11 -49.44 72.2 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.643 -0.708 . . . . 10.0 110.919 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -60.39 -36.5 78.25 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.491 -0.322 . . . . 10.0 111.333 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -69.03 -4.8 18.36 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 116.019 -0.537 . . . . 10.0 111.22 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 495' ' ' LYS . . . . . . . . . . . . . 29.1 mttp -120.92 -46.04 2.35 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.447 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 99.2 mt -60.69 -24.96 66.04 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.248 -0.433 . . . . 10.0 112.035 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 497' ' ' SER . . . . . . . . . . . . . 4.0 m -82.82 -65.46 0.23 Allowed Pre-proline 0 CA--C 1.538 0.517 0 C-N-CA 120.804 -0.359 . . . . 10.0 111.642 179.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 498' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -64.66 -50.39 2.48 Favored 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 121.721 1.614 . . . . 10.0 112.075 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 499' ' ' LEU . . . . . . . . . . . . . 56.4 mt -69.49 -29.72 67.44 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.906 -0.405 . . . . 10.0 109.906 179.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -64.77 -47.26 85.14 Favored Glycine 0 N--CA 1.451 -0.345 0 N-CA-C 110.852 -0.899 . . . . 10.0 110.852 179.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -67.16 -36.22 81.36 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.164 -0.68 . . . . 10.0 109.164 178.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 502' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -63.87 -43.3 96.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.628 -0.715 . . . . 10.0 110.273 178.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 33.5 mmm -61.93 -42.48 99.15 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 109.558 -0.534 . . . . 10.0 109.558 179.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 67.6 mtt85 -63.83 -37.19 86.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.899 -0.592 . . . . 10.0 109.628 178.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -68.26 -37.47 80.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.633 -0.712 . . . . 10.0 109.874 179.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 506' ' ' ARG . . . . . . . . . . . . . 47.1 mtt180 -62.57 -42.42 99.54 Favored 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 108.064 -1.087 . . . . 10.0 108.064 177.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -60.74 -43.35 98.02 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 114.905 -1.043 . . . . 10.0 109.48 178.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 508' ' ' ARG . . . . . . . . . . . . . 70.5 mtt180 -58.21 -45.25 87.99 Favored 'General case' 0 C--O 1.223 -0.335 0 O-C-N 123.507 0.504 . . . . 10.0 109.673 178.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -62.14 -48.7 78.96 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.659 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -64.05 -47.31 80.67 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.206 -0.452 . . . . 10.0 111.213 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 55.8 t -63.24 -43.06 98.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.451 -0.34 . . . . 10.0 110.445 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -61.9 -39.33 91.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.048 0.452 . . . . 10.0 109.806 179.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -66.21 -45.54 80.4 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 108.513 -0.921 . . . . 10.0 108.513 178.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 514' ' ' LEU . . . . . . . . . . . . . 89.7 mt -60.88 -27.34 68.06 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 115.644 -0.707 . . . . 10.0 110.743 179.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 515' ' ' ARG . . . . . . . . . . . . . 89.7 mtt180 -65.43 -35.14 80.04 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.294 -0.632 . . . . 10.0 109.294 178.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.37 7.32 45.64 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.849 179.507 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 34.8 m170 -113.37 -65.54 1.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.502 179.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 90.9 mt -66.95 -43.5 82.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.708 -0.678 . . . . 10.0 112.697 -178.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 519' ' ' ALA . . . . . . . . . . . . . . . -58.6 -57.56 25.66 Favored Pre-proline 0 N--CA 1.466 0.353 0 N-CA-C 112.356 0.502 . . . . 10.0 112.356 -179.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 520' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -62.1 -32.64 83.45 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 121.79 1.66 . . . . 10.0 110.763 178.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -65.98 -43.53 87.56 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.244 -0.435 . . . . 10.0 110.745 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 1.7 p -67.21 -32.61 73.78 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 109.516 -0.55 . . . . 10.0 109.516 178.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.87 -41.41 91.63 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 108.7 -0.852 . . . . 10.0 108.7 177.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 524' ' ' GLU . . . . . 0.423 ' CD ' ' HZ2' ' A' ' 253' ' ' LYS . 50.9 mt-10 -68.43 -37.98 80.76 Favored 'General case' 0 CA--C 1.519 -0.218 0 N-CA-C 108.603 -0.888 . . . . 10.0 108.603 177.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 40.8 mt -62.31 -36.74 83.1 Favored 'General case' 0 C--O 1.219 -0.548 0 CA-C-N 115.352 -0.84 . . . . 10.0 109.349 178.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 526' ' ' ARG . . . . . . . . . . . . . 77.6 mtt180 -64.02 -39.54 94.33 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.546 -0.538 . . . . 10.0 109.546 178.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -66.48 -42.05 88.06 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.316 -0.624 . . . . 10.0 109.316 178.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 528' ' ' ARG . . . . . . . . . . . . . 58.9 mtt180 -68.58 -48.69 63.56 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.5 -0.773 . . . . 10.0 110.589 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 40.6 mt -62.67 -30.76 71.63 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-N 115.978 -0.556 . . . . 10.0 110.796 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -61.21 -41.27 96.54 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.279 -0.637 . . . . 10.0 109.279 178.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -77.46 -42.58 35.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.63 -0.713 . . . . 10.0 109.462 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 17.5 ttm180 -58.74 -46.9 86.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.664 -0.698 . . . . 10.0 110.053 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 81.9 mt -69.33 -34.38 74.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.177 178.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -62.04 -44.21 97.19 Favored 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 109.112 -0.699 . . . . 10.0 109.112 178.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -64.59 -39.97 94.69 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.535 -0.757 . . . . 10.0 109.549 178.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 74.4 mt -67.85 -32.63 73.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.666 179.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 43.5 mtmt -74.45 -41.4 60.87 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.359 -0.608 . . . . 10.0 109.359 178.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -65.16 -47.63 76.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.813 -0.63 . . . . 10.0 109.769 178.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -65.97 -42.21 90.19 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-N 115.466 -0.788 . . . . 10.0 109.239 178.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -63.14 -40.09 98.74 Favored Glycine 0 N--CA 1.446 -0.697 0 CA-C-N 115.799 -0.637 . . . . 10.0 112.182 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -66.73 -45.96 79.58 Favored Glycine 0 N--CA 1.449 -0.5 0 N-CA-C 111.127 -0.789 . . . . 10.0 111.127 179.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -64.78 -46.05 83.76 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.9 -0.407 . . . . 10.0 109.9 179.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 48.6 mtt180 -63.42 -30.76 71.83 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 115.774 -0.648 . . . . 10.0 111.135 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 6.2 mt -65.81 -42.09 91.08 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 109.297 -0.631 . . . . 10.0 109.297 178.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -68.03 -40.84 82.83 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.443 -0.577 . . . . 10.0 109.443 178.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -64.75 -47.78 76.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.585 -0.734 . . . . 10.0 110.475 179.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -67.83 -34.44 76.73 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.142 -0.481 . . . . 10.0 111.0 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -66.46 -44.18 83.47 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.443 -0.947 . . . . 10.0 108.443 178.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -63.78 -49.68 71.97 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 115.437 -0.801 . . . . 10.0 109.291 178.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -36.87 76.58 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.95 179.412 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -66.89 -39.7 87.54 Favored 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 109.007 -0.738 . . . . 10.0 109.007 178.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 26.6 m -65.09 -48.64 72.98 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.494 -0.776 . . . . 10.0 109.419 178.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -59.17 -45.63 90.52 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-N 115.802 -0.636 . . . . 10.0 110.46 179.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 25.5 t60 -63.98 -37.38 87.22 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 115.976 -0.556 . . . . 10.0 110.229 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 36.7 tp -60.58 -43.47 97.31 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.171 -0.468 . . . . 10.0 110.249 179.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.63 -39.92 95.37 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.879 179.175 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -71.2 -32.26 68.62 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 116.478 -0.328 . . . . 10.0 110.278 178.667 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 29.8 mt -63.91 -48.62 75.88 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-N 115.865 -0.607 . . . . 10.0 109.594 178.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 3.2 p -70.38 -34.26 72.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.211 -0.45 . . . . 10.0 110.29 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -60.83 -37.47 82.12 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.405 179.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.76 -19.18 22.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.945 -0.571 . . . . 10.0 111.241 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -64.79 -48.92 72.7 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.408 -0.36 . . . . 10.0 111.315 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 61.5 mttt -55.29 -61.03 6.69 Favored Pre-proline 0 C--N 1.328 -0.339 0 N-CA-C 112.491 0.552 . . . . 10.0 112.491 -179.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -59.94 -40.45 62.14 Favored 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 122.103 1.868 . . . . 10.0 112.116 -179.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -61.39 -50.7 71.83 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-O 120.779 0.323 . . . . 10.0 110.223 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 67.3 mt -63.0 -45.8 90.67 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.916 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -59.4 -52.45 65.56 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.576 0.213 . . . . 10.0 111.576 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.86 -37.33 84.25 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.601 -0.272 . . . . 10.0 111.481 -178.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 34.8 mt -67.16 -45.24 77.61 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 110.209 -0.293 . . . . 10.0 110.209 178.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -64.29 -51.7 62.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.762 0.315 . . . . 10.0 110.269 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -69.33 -6.72 31.54 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.971 -0.559 . . . . 10.0 111.87 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -100.53 -44.24 2.18 Favored Glycine 0 N--CA 1.442 -0.95 0 N-CA-C 110.317 -1.113 . . . . 10.0 110.317 178.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 75.0 mt -64.7 -39.87 94.39 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 122.187 0.195 . . . . 10.0 111.374 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 74.4 mt -52.42 -61.21 4.86 Favored Pre-proline 0 CA--C 1.539 0.551 0 N-CA-C 112.655 0.613 . . . . 10.0 112.655 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -65.88 -33.39 43.02 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 121.864 1.709 . . . . 10.0 111.167 178.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 8.9 t -64.57 -39.5 85.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.485 -0.325 . . . . 10.0 110.273 178.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 78.9 mt -65.06 -42.62 94.05 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 109.782 -0.451 . . . . 10.0 109.782 178.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -64.03 -35.99 82.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.362 179.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 17.0 m -73.75 -35.73 65.05 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.799 -0.637 . . . . 10.0 109.475 178.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -68.01 -34.02 75.71 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 116.173 -0.467 . . . . 10.0 109.761 178.62 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -59.97 -36.79 77.89 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 115.889 -0.596 . . . . 10.0 109.7 178.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 60.9 t -62.17 -49.82 82.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 109.567 -0.531 . . . . 10.0 109.567 178.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.29 -27.27 67.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.709 -0.678 . . . . 10.0 111.261 179.549 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -76.28 -53.16 8.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.749 179.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 86.9 mt -56.06 -47.24 78.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.626 -0.716 . . . . 10.0 111.699 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 11.8 p -64.74 -45.97 84.2 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.769 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -59.81 -52.84 63.74 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 116.244 -0.435 . . . . 10.0 111.093 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 81.2 mt -56.98 -44.26 82.5 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.976 -0.556 . . . . 10.0 111.366 -179.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -64.11 -53.85 43.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.325 -0.398 . . . . 10.0 111.193 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -62.26 -36.37 81.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.236 -0.438 . . . . 10.0 111.493 -179.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -65.28 -47.15 77.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.62 -0.264 . . . . 10.0 110.486 179.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 11.5 m -61.11 -33.04 72.75 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.055 0.455 . . . . 10.0 110.974 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -74.84 -41.3 60.13 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.062 0.458 . . . . 10.0 111.469 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.78 -16.77 54.89 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.975 0.417 . . . . 10.0 111.632 -179.81 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 77.3 mt -112.67 30.62 6.98 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.149 0.499 . . . . 10.0 109.696 178.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.033 -0.53 . . . . 10.0 111.438 -179.667 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.235 0.313 0 CA-C-O 120.958 0.409 . . . . 10.0 110.817 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -73.31 135.87 44.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.76 -0.655 . . . . 10.0 109.852 179.717 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -104.92 139.86 39.02 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.526 -0.306 . . . . 10.0 110.81 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -133.92 123.29 24.44 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.52 -0.309 . . . . 10.0 110.317 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 39.1 mttm -92.59 112.15 24.0 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.4 -0.364 . . . . 10.0 110.428 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 15.4 mt -114.01 124.68 52.73 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.997 -178.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 97.2 t -114.11 128.6 71.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.332 179.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 2.6 t -87.35 118.5 33.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.075 0.464 . . . . 10.0 109.999 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 9.9 m -115.46 151.31 17.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 120.904 0.383 . . . . 10.0 111.164 -179.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 148.36 -179.6 25.08 Favored Glycine 0 N--CA 1.442 -0.93 0 N-CA-C 110.601 -0.999 . . . . 10.0 110.601 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.31 -173.74 1.16 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.414 0.626 . . . . 10.0 111.485 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -102.41 139.9 37.41 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.624 -0.716 . . . . 10.0 109.871 179.034 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 91.6 1.06 71.71 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.792 -0.718 . . . . 10.0 112.151 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 27.7 m -79.91 -23.85 11.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 111.545 0.202 . . . . 10.0 111.545 -179.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.74 31.64 3.61 Favored Glycine 0 C--O 1.225 -0.407 0 C-N-CA 120.707 -0.759 . . . . 10.0 113.545 178.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 10.1 mtmm -65.53 -38.75 90.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.934 0.367 . . . . 10.0 110.384 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 2.9 m -74.02 -41.32 62.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.8 -0.636 . . . . 10.0 110.219 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.35 -45.7 80.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.973 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 89.6 mt -63.37 -44.94 93.31 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.361 -0.381 . . . . 10.0 110.987 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 41.3 m -64.69 -42.62 95.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.036 0.446 . . . . 10.0 110.781 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 78.6 mt -64.46 -34.93 72.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.839 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -69.9 -12.76 61.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.2 0.524 . . . . 10.0 110.896 178.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 30.1 tp -100.36 -42.06 6.78 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.934 -0.576 . . . . 10.0 110.872 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 41.0 mm -84.8 -67.19 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.176 -0.466 . . . . 10.0 111.997 -179.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -76.26 -23.14 54.46 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.536 -0.302 . . . . 10.0 111.72 -179.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 29.7 m-80 68.25 50.08 0.78 Allowed 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 113.516 0.932 . . . . 10.0 113.516 178.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -162.25 166.52 25.33 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.916 -0.402 . . . . 10.0 109.916 178.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -105.51 141.75 36.44 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.077 0.465 . . . . 10.0 111.632 -179.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 2.2 m -115.56 127.75 73.03 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 CA-C-N 115.793 -0.64 . . . . 10.0 110.006 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -90.66 -19.0 24.11 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.439 0.638 . . . . 10.0 110.348 179.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -81.47 140.66 34.48 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.58 -0.736 . . . . 10.0 109.592 179.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -89.8 114.75 26.52 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.545 0.212 . . . . 10.0 110.453 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -113.4 101.2 53.3 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.081 179.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.27 115.2 2.21 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 123.083 2.522 . . . . 10.0 112.256 -179.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -97.44 101.97 13.63 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.845 -179.704 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 31.5 mm -72.32 -52.64 22.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 108.987 -0.746 . . . . 10.0 108.987 179.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -165.58 95.04 0.62 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.091 -0.959 . . . . 10.0 109.392 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -133.98 138.41 45.42 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.655 -0.498 . . . . 10.0 109.655 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 28.9 p -124.98 155.21 40.0 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.5 0.556 . . . . 10.0 112.5 -178.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -135.7 152.21 50.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.949 -0.568 . . . . 10.0 109.89 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -122.96 134.7 54.33 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.692 0.282 . . . . 10.0 110.936 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 40.2 tttp -145.13 136.65 25.27 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.468 -0.333 . . . . 10.0 110.775 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -104.27 123.32 47.15 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.956 -0.757 . . . . 10.0 108.956 178.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 2.4 m -134.2 166.31 29.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 112.729 0.64 . . . . 10.0 112.729 -177.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 14.9 t -105.44 92.34 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.323 -0.853 . . . . 10.0 109.609 179.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 35.3 mt -103.53 122.87 56.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.662 -0.244 . . . . 10.0 110.673 -178.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 59.63 20.56 9.17 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.917 -0.583 . . . . 10.0 112.039 179.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.72 3.14 64.54 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.868 -0.682 . . . . 10.0 112.345 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -109.15 120.76 43.49 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.808 0.337 . . . . 10.0 111.036 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 6.1 m -78.83 108.89 12.61 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.201 -1.037 . . . . 10.0 108.201 178.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -126.89 159.77 32.95 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.632 0.605 . . . . 10.0 112.632 -177.428 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 41.7 tp -107.48 122.68 47.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.377 -0.829 . . . . 10.0 109.103 179.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 35.3 mt -100.21 129.21 46.2 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 112.251 0.463 . . . . 10.0 112.251 -178.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -104.3 98.59 8.36 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.466 -1.309 . . . . 10.0 107.466 178.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 6.9 mt -98.88 136.77 28.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.36 -0.382 . . . . 10.0 111.972 -177.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 49.2 tp -136.73 118.35 14.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.05 -0.523 . . . . 10.0 111.064 179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -98.68 132.87 43.73 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 109.59 -0.522 . . . . 10.0 109.59 178.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -121.26 153.76 37.24 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.084 0.468 . . . . 10.0 111.914 -179.352 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.69 125.7 26.09 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.704 -0.68 . . . . 10.0 111.383 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -96.83 31.19 7.85 Favored Glycine 0 N--CA 1.451 -0.364 0 N-CA-C 110.562 -1.015 . . . . 10.0 110.562 179.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -88.89 13.29 13.02 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.453 -0.374 . . . . 10.0 111.363 -179.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 59.33 -161.98 0.25 Allowed 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.654 -0.703 . . . . 10.0 111.894 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 73.13 -42.33 0.53 Allowed 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.677 0.61 . . . . 10.0 111.76 179.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -75.28 65.63 1.64 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.847 0.356 . . . . 10.0 111.46 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.9 -50.5 28.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.174 0.511 . . . . 10.0 110.692 179.664 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.7 -21.62 63.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.656 -0.702 . . . . 10.0 111.532 -179.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 37.9 ttp -79.97 -20.86 44.56 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.006 0.432 . . . . 10.0 110.238 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -70.64 -49.1 51.09 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.972 -0.558 . . . . 10.0 111.311 -179.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.11 -39.43 56.15 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.548 -179.565 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -49.83 -61.85 1.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.339 -0.846 . . . . 10.0 112.669 -179.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 42.0 p90 -79.05 -19.3 51.74 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 113.466 0.913 . . . . 10.0 113.466 -178.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 43.8 mtt -65.07 -30.09 71.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.038 0.447 . . . . 10.0 111.32 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 71.5 mtt180 -72.32 -41.89 66.02 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.512 -0.313 . . . . 10.0 111.02 179.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 35.2 m -78.63 -42.64 28.29 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.632 0.604 . . . . 10.0 112.632 -178.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -56.16 124.35 34.13 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.981 -0.628 . . . . 10.0 113.0 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -89.94 -40.32 12.45 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.036 0.446 . . . . 10.0 110.144 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -122.19 130.28 7.92 Favored Glycine 0 N--CA 1.442 -0.922 0 N-CA-C 110.56 -1.016 . . . . 10.0 110.56 179.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -110.31 122.48 47.77 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.544 0.688 . . . . 10.0 111.668 -179.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 20.0 tp -95.85 100.72 12.38 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.471 -0.786 . . . . 10.0 109.879 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.43 107.8 16.17 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.396 -0.365 . . . . 10.0 110.294 179.246 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 72.4 t -112.4 123.91 68.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.038 0.447 . . . . 10.0 111.037 -179.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 42.1 p90 -122.84 165.26 16.94 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.16 -0.682 . . . . 10.0 109.16 179.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -103.09 130.26 50.19 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.808 -0.441 . . . . 10.0 109.808 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 29.5 pt -64.5 -16.88 20.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 111.855 0.317 . . . . 10.0 111.855 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 23.2 p-10 -104.66 13.88 30.77 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.19 0.519 . . . . 10.0 110.365 179.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -138.57 87.29 2.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.598 -0.728 . . . . 10.0 109.815 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.55 -29.77 66.62 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.999 -0.546 . . . . 10.0 112.255 -179.64 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 24.6 tptp -60.2 -45.06 94.45 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.407 -0.361 . . . . 10.0 110.58 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 93.1 p -64.77 -30.39 71.4 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-O 120.863 0.363 . . . . 10.0 110.645 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -70.83 -39.69 72.87 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.424 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -70.24 -32.51 70.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.476 179.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -68.25 -21.17 64.84 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.888 -0.596 . . . . 10.0 112.371 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 47.9 mm -56.99 -46.36 84.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.66 0.267 . . . . 10.0 111.126 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -63.18 -36.47 83.74 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.044 0.45 . . . . 10.0 111.089 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -66.53 -41.91 88.02 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.978 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -71.49 -42.25 68.3 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.119 -0.492 . . . . 10.0 110.025 179.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -56.06 -48.91 75.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.841 -0.618 . . . . 10.0 111.484 -179.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -65.28 -35.38 80.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.642 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -69.71 -45.03 69.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.472 -0.331 . . . . 10.0 111.08 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 94.7 mt -55.49 -47.2 78.76 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.027 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 30.6 mtmt -64.57 -24.74 67.7 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.554 -0.748 . . . . 10.0 112.022 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 25.6 ttm180 -77.21 -47.41 20.3 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.89 0.376 . . . . 10.0 110.309 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 39.5 t -63.79 -45.19 97.9 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 CA-C-N 115.773 -0.649 . . . . 10.0 111.058 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -80.29 -16.74 53.96 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.65 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 26.8 t70 54.14 66.44 1.23 Allowed 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.288 -0.869 . . . . 10.0 111.37 -179.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 34.8 t -171.66 140.77 1.37 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.511 -0.768 . . . . 10.0 110.282 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -83.7 -18.85 36.53 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.191 -0.67 . . . . 10.0 109.191 178.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -96.98 85.74 3.82 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.688 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 73.5 t -122.61 119.55 28.18 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 116.185 -0.462 . . . . 10.0 109.935 179.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -58.08 110.9 0.7 Allowed 'Trans proline' 0 C--O 1.237 0.458 0 C-N-CA 123.014 2.476 . . . . 10.0 111.664 179.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 50.9 mtm -142.64 147.32 35.58 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.635 -0.711 . . . . 10.0 110.171 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 88.8 t -130.66 126.2 60.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 109.506 -0.553 . . . . 10.0 109.506 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 21.0 tp -85.07 112.11 20.36 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.833 -0.432 . . . . 10.0 109.833 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 99.1 t -123.35 130.99 73.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.193 -178.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -101.64 134.22 11.65 Favored Glycine 0 N--CA 1.442 -0.934 0 N-CA-C 110.567 -1.013 . . . . 10.0 110.567 178.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -106.51 164.78 11.78 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.87 0.335 . . . . 10.0 110.445 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 82.9 mttt 65.18 28.25 12.16 Favored 'General case' 0 N--CA 1.463 0.211 0 O-C-N 123.722 0.639 . . . . 10.0 111.625 179.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 60.3 m -66.62 -10.74 48.9 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 112.754 0.65 . . . . 10.0 112.754 -179.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -91.2 -4.87 55.67 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.897 0.38 . . . . 10.0 110.824 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 14.1 mt -80.95 129.58 67.01 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.75 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -69.17 153.49 71.56 Favored 'Trans proline' 0 C--O 1.235 0.325 0 C-N-CA 123.008 2.472 . . . . 10.0 112.092 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 7.4 m 61.5 76.79 0.35 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.676 -0.693 . . . . 10.0 111.988 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -86.48 159.95 19.15 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.768 -0.651 . . . . 10.0 111.014 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.38 -39.45 5.66 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.119 -0.491 . . . . 10.0 109.691 178.754 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 61.6 t -89.64 118.82 35.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 109.231 -0.655 . . . . 10.0 109.231 178.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -82.0 137.76 35.04 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.708 -179.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 11.3 m -56.62 -36.55 69.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.066 0.46 . . . . 10.0 111.312 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.14 -49.39 74.07 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.667 -0.697 . . . . 10.0 111.259 -179.754 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -70.54 -34.65 72.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.048 0.451 . . . . 10.0 111.666 -179.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.79 -41.19 88.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.563 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -71.3 -31.45 67.45 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.926 -0.579 . . . . 10.0 110.47 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -64.06 -40.06 95.44 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 109.47 -0.567 . . . . 10.0 109.47 178.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 23.3 tp -67.78 -40.65 83.95 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.851 -0.613 . . . . 10.0 109.588 178.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.75 -37.0 85.72 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.086 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.1 -42.36 96.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.476 179.41 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 23.9 m -70.96 -17.28 62.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.458 0.647 . . . . 10.0 110.911 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 9.6 m-30 -90.46 -39.77 12.42 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.528 -0.76 . . . . 10.0 109.596 178.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 95.12 15.89 43.09 Favored Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 110.723 -0.951 . . . . 10.0 110.723 -179.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 47.4 pt -114.01 157.74 41.22 Favored Pre-proline 0 C--N 1.321 -0.638 0 N-CA-C 110.167 -0.308 . . . . 10.0 110.167 -179.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo -74.94 149.27 36.74 Favored 'Trans proline' 0 C--O 1.236 0.422 0 C-N-CA 122.784 2.323 . . . . 10.0 112.575 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -119.42 134.59 55.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.767 -0.651 . . . . 10.0 109.52 179.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 26.9 mt -133.32 137.05 53.99 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 CA-C-O 120.99 0.424 . . . . 10.0 111.739 -179.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -99.23 121.55 41.21 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 108.594 -0.891 . . . . 10.0 108.594 178.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 72.0 p -134.28 179.24 6.39 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.564 0.697 . . . . 10.0 112.545 -178.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 3.0 t -153.21 126.15 8.4 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.822 -1.081 . . . . 10.0 108.429 178.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -78.54 -30.51 47.01 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.915 -0.402 . . . . 10.0 109.915 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -63.11 -35.45 80.32 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.673 -0.694 . . . . 10.0 111.136 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 32.2 p -104.85 -11.66 16.65 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 121.02 -0.272 . . . . 10.0 111.558 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 2.8 ttt-85 63.7 25.38 14.2 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.196 0.522 . . . . 10.0 111.127 -178.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -91.57 129.65 37.51 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.238 -179.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 85.63 -8.87 70.21 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.992 -0.623 . . . . 10.0 112.208 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 54.7 t -56.22 -42.28 72.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.015 0.436 . . . . 10.0 111.369 -179.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -67.54 -50.37 58.97 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.779 0.323 . . . . 10.0 111.025 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -56.3 -41.1 75.39 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.887 -0.597 . . . . 10.0 111.892 -178.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -59.1 -53.9 53.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.964 -0.562 . . . . 10.0 111.568 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -68.58 -35.74 77.78 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.223 -0.444 . . . . 10.0 112.186 -178.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -61.12 -45.3 95.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.073 0.463 . . . . 10.0 110.578 179.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 22.8 m -69.18 -34.09 74.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.817 -0.628 . . . . 10.0 110.791 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 32.9 tp -60.02 -42.74 95.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.023 -0.535 . . . . 10.0 111.314 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 62.8 t -74.39 -40.57 49.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.717 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 7.5 ttp180 -57.5 -37.11 72.45 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.454 -0.794 . . . . 10.0 111.75 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -62.77 -37.17 85.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.386 -0.37 . . . . 10.0 110.837 179.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 59.2 mt -65.42 -42.63 93.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 N-CA-C 109.327 -0.62 . . . . 10.0 109.327 179.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 -60.94 -41.74 96.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 10.0 109.713 178.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 34.7 ttmt . . . . . 0 C--O 1.235 0.291 0 CA-C-N 115.537 -0.756 . . . . 10.0 110.327 179.326 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 4.2 m . . . . . 0 N--CA 1.45 -0.43 0 CA-C-O 120.739 0.304 . . . . 10.0 110.351 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -81.17 129.76 34.72 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.365 -0.38 . . . . 10.0 110.646 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -90.19 138.86 31.18 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.916 -0.402 . . . . 10.0 109.916 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -133.78 120.55 20.66 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 110.096 -0.335 . . . . 10.0 110.096 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 58.1 mttm -85.53 106.09 16.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.948 0.404 . . . . 10.0 111.063 -179.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 44.2 mt -106.68 118.62 37.15 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.687 -0.688 . . . . 10.0 110.781 -179.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 58.1 t -106.63 128.35 61.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.544 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 4.6 t -93.45 119.65 41.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 109.627 -0.508 . . . . 10.0 109.627 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 7.0 m -116.94 140.98 37.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.959 0.409 . . . . 10.0 111.154 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 166.57 168.23 28.44 Favored Glycine 0 N--CA 1.444 -0.809 0 C-N-CA 120.598 -0.811 . . . . 10.0 111.464 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.39 -164.93 0.09 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.732 0.777 . . . . 10.0 112.805 -179.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -86.02 142.96 28.38 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.395 -0.82 . . . . 10.0 111.976 -179.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 59.35 30.47 67.91 Favored Glycine 0 N--CA 1.448 -0.543 0 CA-C-N 115.493 -0.776 . . . . 10.0 114.663 178.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 22.4 m -89.76 -28.33 5.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 117.634 0.717 . . . . 10.0 111.663 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 118.82 18.89 4.6 Favored Glycine 0 C--O 1.227 -0.284 0 C-N-CA 120.654 -0.784 . . . . 10.0 114.243 178.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 15.5 mtmm -62.03 -42.94 99.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.398 0.618 . . . . 10.0 111.024 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 24.5 m -72.87 -43.56 62.39 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.916 -0.583 . . . . 10.0 110.06 179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.76 -47.21 83.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.356 -0.384 . . . . 10.0 111.413 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 36.0 mt -59.73 -47.89 83.85 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.984 0.421 . . . . 10.0 110.77 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 11.8 m -65.85 -49.16 69.15 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 115.603 -0.726 . . . . 10.0 112.205 -179.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 88.7 mt -60.48 -39.19 80.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.034 0.445 . . . . 10.0 110.891 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -69.01 -15.02 63.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.17 -0.468 . . . . 10.0 111.524 179.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 18.4 tp -97.94 -37.38 9.82 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.172 0.511 . . . . 10.0 110.871 179.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 41.7 mm -79.13 -63.61 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.077 -0.51 . . . . 10.0 111.347 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -89.06 -18.01 28.16 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.715 0.265 . . . . 10.0 111.715 -179.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 24.5 m-80 67.67 40.96 2.37 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 113.583 0.957 . . . . 10.0 113.583 178.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 3.9 p80 -141.75 152.19 43.57 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.15 -0.477 . . . . 10.0 109.893 178.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -104.49 130.54 52.41 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.966 0.412 . . . . 10.0 110.813 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 2.9 m -96.24 145.46 8.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.02 -0.537 . . . . 10.0 110.203 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -101.43 -17.34 16.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.317 0.579 . . . . 10.0 110.186 179.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -92.23 140.28 29.77 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.461 -0.79 . . . . 10.0 110.289 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -86.98 119.79 27.56 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.997 -0.547 . . . . 10.0 111.131 -179.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -111.74 115.06 51.61 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.218 -0.447 . . . . 10.0 110.362 178.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -66.27 100.86 0.48 Allowed 'Trans proline' 0 N--CA 1.462 -0.357 0 C-N-CA 122.551 2.167 . . . . 10.0 111.466 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -88.5 132.95 34.29 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.344 179.688 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 48.0 mm -104.78 -58.04 4.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.028 -0.73 . . . . 10.0 109.028 178.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -152.01 89.79 1.48 Allowed 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.713 -0.676 . . . . 10.0 110.24 179.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -128.16 130.18 47.66 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 110.055 -0.35 . . . . 10.0 110.055 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 22.6 p -120.48 151.92 38.7 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.22 0.533 . . . . 10.0 112.425 -178.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -133.07 154.67 50.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.741 -0.663 . . . . 10.0 109.405 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -123.4 124.14 42.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.967 0.413 . . . . 10.0 111.068 -179.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -137.34 135.19 36.83 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.458 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -110.18 114.15 27.41 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.06 0.457 . . . . 10.0 110.477 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 5.9 m -127.27 169.03 19.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.967 -0.56 . . . . 10.0 111.129 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 47.0 t -96.93 99.79 9.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.938 0.399 . . . . 10.0 110.412 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 49.6 mt -107.25 119.81 57.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.299 -0.41 . . . . 10.0 110.794 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 66.93 8.35 6.02 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.249 -0.887 . . . . 10.0 112.24 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 111.68 -18.66 24.51 Favored Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.701 -0.762 . . . . 10.0 112.539 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -104.6 137.22 42.76 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.607 0.242 . . . . 10.0 110.47 -179.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -69.71 127.13 31.87 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.673 -0.491 . . . . 10.0 109.673 179.279 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 9.1 m -125.16 135.2 52.4 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 112.065 0.395 . . . . 10.0 112.065 -178.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 53.2 tp -94.84 104.43 16.33 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.077 -1.083 . . . . 10.0 108.077 178.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 32.1 mt -82.45 116.25 21.82 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 112.628 0.603 . . . . 10.0 112.628 -177.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -98.59 88.85 4.2 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 107.436 -1.32 . . . . 10.0 107.436 177.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 21.3 mt -93.61 135.1 29.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.765 -0.652 . . . . 10.0 111.736 -177.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 22.5 tp -133.33 122.77 24.3 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.88 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -87.25 132.65 33.84 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 109.215 -0.661 . . . . 10.0 109.215 178.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 44.8 p -103.16 149.99 24.1 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.92 0.39 . . . . 10.0 111.427 -178.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.27 111.93 5.51 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.356 179.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -85.4 25.76 6.14 Favored Glycine 0 C--O 1.23 -0.121 0 C-N-CA 120.839 -0.696 . . . . 10.0 112.983 -179.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -95.18 6.81 48.02 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.529 0.204 . . . . 10.0 110.973 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 62.59 -148.76 0.36 Allowed 'General case' 0 C--O 1.236 0.367 0 N-CA-C 109.46 -0.57 . . . . 10.0 109.46 -178.678 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 72.28 -49.29 0.69 Allowed 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 112.604 0.594 . . . . 10.0 112.604 178.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -75.93 70.71 2.69 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.597 0.592 . . . . 10.0 112.597 -178.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.18 -25.66 52.07 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.925 0.393 . . . . 10.0 110.721 179.477 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -91.83 -35.99 13.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.495 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 34.7 ttp -67.16 -25.56 66.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.387 0.613 . . . . 10.0 110.928 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.07 -31.24 72.0 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.668 -0.697 . . . . 10.0 111.477 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -59.31 -36.41 75.57 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 112.746 0.647 . . . . 10.0 112.746 -178.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -64.25 -59.83 3.93 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 113.138 0.792 . . . . 10.0 113.138 -178.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 71' ' ' TYR . . . . . . . . . . . . . 7.8 p90 -69.06 -21.92 64.06 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.043 1.127 . . . . 10.0 114.043 -178.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 26.6 mtt -72.91 -28.93 62.75 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.122 0.487 . . . . 10.0 111.127 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 36.7 ttm105 -86.12 -35.34 20.25 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.419 179.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 3.3 m -79.5 -23.22 43.11 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.806 -0.634 . . . . 10.0 111.836 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -82.08 143.99 23.44 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.595 -0.812 . . . . 10.0 113.588 -179.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -102.09 -54.13 2.77 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.307 0.575 . . . . 10.0 109.791 179.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -106.34 132.28 11.05 Favored Glycine 0 N--CA 1.445 -0.703 0 N-CA-C 110.816 -0.914 . . . . 10.0 110.816 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 78' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -113.96 124.4 52.08 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.182 0.515 . . . . 10.0 111.939 -179.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 16.8 tp -98.81 107.82 20.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.747 -0.66 . . . . 10.0 109.963 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 4.2 m -82.85 92.76 7.34 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.45 -179.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 62.7 t -95.22 130.28 44.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.087 0.47 . . . . 10.0 111.543 -179.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 29.4 p90 -144.22 147.85 34.16 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.697 -0.683 . . . . 10.0 109.847 178.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -88.0 134.37 33.75 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.489 -0.323 . . . . 10.0 110.168 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 84' ' ' ILE . . . . . . . . . . . . . 29.6 pt -69.0 -15.73 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.953 0.406 . . . . 10.0 111.858 -179.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 26.4 p-10 -104.15 22.47 14.67 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.45 0.643 . . . . 10.0 110.056 179.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -147.13 99.39 3.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.609 -0.723 . . . . 10.0 110.518 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 1.8 m -63.46 -26.89 68.93 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.003 -0.544 . . . . 10.0 111.932 -179.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 21.6 tptp -57.51 -49.38 76.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.682 -0.236 . . . . 10.0 110.52 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.89 -27.2 67.32 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.052 -0.522 . . . . 10.0 111.918 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -69.41 -49.58 53.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.834 0.349 . . . . 10.0 111.258 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -74.34 -23.86 59.1 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.362 -0.381 . . . . 10.0 111.034 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -64.92 -25.73 68.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.913 -0.585 . . . . 10.0 111.466 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 36.8 mm -54.93 -41.7 59.59 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 CA-C-O 120.962 0.411 . . . . 10.0 110.653 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -61.46 -43.77 98.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.937 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 60.8 m-70 -62.97 -43.12 99.65 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.618 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -64.84 -44.36 90.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.622 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 35.0 ttt-85 -56.88 -45.13 82.73 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 116.303 -0.408 . . . . 10.0 111.389 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -64.12 -43.73 94.42 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.464 -0.335 . . . . 10.0 111.075 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -64.04 -43.53 95.27 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.927 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 77.0 mt -60.56 -50.38 80.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.085 0.469 . . . . 10.0 110.284 179.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -63.98 -28.31 69.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.876 -0.602 . . . . 10.0 111.796 -179.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 14.0 ttm180 -75.13 -48.95 21.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.575 179.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 87.2 t -63.48 -48.06 88.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.881 -179.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -77.55 -15.68 59.11 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.803 0.335 . . . . 10.0 111.411 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 28.6 t70 57.34 53.44 7.59 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.518 -0.764 . . . . 10.0 111.207 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 15.9 t -161.05 143.04 12.18 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.507 -0.77 . . . . 10.0 109.97 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -85.1 -24.21 28.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.155 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -96.25 96.61 8.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.177 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 60.6 t -130.59 129.75 22.8 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.135 -0.484 . . . . 10.0 109.913 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -62.56 99.72 0.21 Allowed 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.602 2.202 . . . . 10.0 111.928 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 111' ' ' MET . . . . . . . . . . . . . 85.2 mtp -132.24 144.08 50.37 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.214 -179.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 68.9 t -129.28 132.12 67.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.311 -0.404 . . . . 10.0 110.547 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 19.8 tp -87.31 120.68 28.85 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.742 -0.466 . . . . 10.0 109.742 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 4.7 t -123.79 118.66 54.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 112.598 0.592 . . . . 10.0 112.598 -179.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -93.34 127.32 8.97 Favored Glycine 0 N--CA 1.443 -0.874 0 N-CA-C 109.188 -1.565 . . . . 10.0 109.188 177.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -112.86 164.92 12.83 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 112.493 0.553 . . . . 10.0 112.493 -178.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 81.1 mttt 70.76 32.5 2.47 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 113.134 0.79 . . . . 10.0 113.134 179.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 118' ' ' CYS . . . . . . . . . . . . . 91.5 m -75.2 11.05 1.27 Allowed 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.491 0.552 . . . . 10.0 112.491 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -97.92 -15.33 20.2 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.659 0.742 . . . . 10.0 109.244 179.14 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 15.9 mt -88.61 145.53 35.44 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.123 -0.944 . . . . 10.0 111.204 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -84.73 177.13 5.73 Favored 'Trans proline' 0 N--CA 1.455 -0.744 0 C-N-CA 122.44 2.093 . . . . 10.0 110.598 178.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 1.6 m 56.86 68.13 0.9 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.008 0.432 . . . . 10.0 111.061 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 5.1 ptp180 -80.56 137.27 36.39 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.152 -0.477 . . . . 10.0 111.789 -179.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.19 -42.28 10.53 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.321 0.582 . . . . 10.0 109.893 179.38 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 58.2 t -89.65 128.74 41.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.533 -0.758 . . . . 10.0 109.617 179.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -90.38 139.73 30.39 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.779 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 5.5 m -60.87 -45.29 95.13 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.405 -0.361 . . . . 10.0 111.31 -179.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 4.9 ptmt -57.08 -36.39 70.52 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 113.881 1.067 . . . . 10.0 113.881 -178.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -74.32 -22.57 59.19 Favored 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 111.973 0.36 . . . . 10.0 111.973 -179.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -93.32 -27.13 16.97 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.024 179.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -60.15 -60.44 3.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.557 -0.747 . . . . 10.0 112.182 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -69.81 -22.4 63.31 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.741 0.305 . . . . 10.0 111.666 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 56.4 tp -64.02 -43.51 95.39 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.757 -0.831 . . . . 10.0 108.757 178.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -73.62 -29.15 62.19 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.607 -0.724 . . . . 10.0 110.503 179.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 6.4 tmm_? -64.25 -42.9 96.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.886 179.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 8.7 t -58.39 -34.35 70.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.951 -179.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -93.77 -24.44 17.8 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.029 0.442 . . . . 10.0 111.735 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 86.71 43.1 6.19 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.867 -0.683 . . . . 10.0 112.152 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 10.6 pt -122.24 145.73 45.02 Favored Pre-proline 0 C--N 1.326 -0.421 0 N-CA-C 110.422 -0.214 . . . . 10.0 110.422 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -68.37 147.63 72.01 Favored 'Trans proline' 0 C--O 1.236 0.399 0 C-N-CA 122.916 2.41 . . . . 10.0 112.197 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -130.12 119.42 23.0 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.812 -0.631 . . . . 10.0 110.546 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 54.8 mt -119.65 133.63 65.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.077 -0.712 . . . . 10.0 109.077 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -125.02 105.85 9.5 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 110.264 -0.273 . . . . 10.0 110.264 -179.603 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -149.54 -146.81 0.21 Allowed 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 111.691 0.256 . . . . 10.0 111.691 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 28.8 t -154.65 143.19 20.64 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.009 0.433 . . . . 10.0 111.257 -178.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -77.68 -32.66 53.23 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.279 -0.637 . . . . 10.0 109.279 178.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -56.8 -39.87 74.92 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.107 -0.952 . . . . 10.0 111.13 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 148' ' ' THR . . . . . 0.455 ' C ' ' H ' ' C' ' 150' ' ' GLN . 0.0 OUTLIER -90.39 -9.83 46.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 10.0 111.575 -179.848 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 73.65 -28.98 0.19 Allowed 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.653 0.781 . . . . 10.0 112.323 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 150' ' ' GLN . . . . . 0.455 ' H ' ' C ' ' C' ' 148' ' ' THR . 56.6 tt0 -62.91 127.21 30.2 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.868 -0.605 . . . . 10.0 110.499 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 99.2 -16.8 58.81 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.91 -0.662 . . . . 10.0 112.867 179.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 98.8 t -68.0 -39.64 81.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.715 0.293 . . . . 10.0 111.076 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -59.64 -54.08 50.61 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.81 0.338 . . . . 10.0 110.589 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -63.04 -33.81 76.24 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.867 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -56.4 -32.08 64.47 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.374 -0.375 . . . . 10.0 111.624 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -101.3 -27.68 13.05 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.405 -0.361 . . . . 10.0 111.283 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -66.96 -55.5 14.25 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.33 0.493 . . . . 10.0 112.33 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 22.9 m -60.21 -34.92 74.32 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 120.683 0.277 . . . . 10.0 111.508 -179.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 57.1 tp -58.4 -46.8 85.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 10.0 111.312 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 98.6 t -66.77 -37.88 80.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.195 0.522 . . . . 10.0 110.355 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 8.9 ttp180 -64.59 -34.71 78.9 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.571 -0.74 . . . . 10.0 111.061 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -66.87 -31.99 72.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.351 -0.386 . . . . 10.0 110.668 179.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 57.2 mt -65.67 -38.11 81.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 108.922 -0.77 . . . . 10.0 108.922 178.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 69.3 mtt180 -69.47 -44.53 70.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.123 -0.944 . . . . 10.0 109.114 178.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 31.7 ttmt -59.71 -40.13 86.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.78 -0.646 . . . . 10.0 110.753 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 19.8 t-80 -55.76 -46.83 77.78 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.06 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 96.4 mttt . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 116.075 -0.511 . . . . 10.0 111.03 -179.547 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? . . . . . 0 C--O 1.236 0.342 0 N-CA-C 111.56 0.208 . . . . 10.0 111.56 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 89.0 mt -68.48 -34.16 75.44 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.065 0.394 . . . . 10.0 112.065 -179.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 73.7 mt -68.58 -50.66 50.0 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.132 -0.485 . . . . 10.0 111.034 -179.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.26 -38.28 86.14 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 121.014 0.435 . . . . 10.0 111.314 179.763 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -72.61 -26.54 61.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.253 -0.431 . . . . 10.0 111.271 179.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 7.8 t90 -70.31 -28.37 65.12 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.649 -0.5 . . . . 10.0 109.649 179.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -63.16 -34.19 77.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.9 -0.591 . . . . 10.0 110.356 179.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.99 -29.24 67.4 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.305 0.574 . . . . 10.0 109.906 178.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 23.4 t -74.44 -40.81 49.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 108.81 -0.811 . . . . 10.0 108.81 178.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 22.4 m -60.62 -45.72 92.97 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.568 -0.742 . . . . 10.0 110.331 179.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 2.8 p -64.66 -45.39 86.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.356 -0.383 . . . . 10.0 110.67 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 88.8 m -59.79 -45.33 92.64 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.327 178.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -64.1 -37.91 89.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.562 179.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 61.6 m -62.26 -46.28 89.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.072 -0.513 . . . . 10.0 109.83 179.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -65.4 -39.39 92.14 Favored 'General case' 0 CA--C 1.521 -0.137 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.032 179.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 52.7 mt -59.45 -42.56 92.25 Favored 'General case' 0 C--O 1.226 -0.159 0 CA-C-N 115.888 -0.596 . . . . 10.0 109.957 178.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 50.2 mtt180 -67.87 -37.28 81.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.076 -0.511 . . . . 10.0 111.227 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -67.3 -25.83 66.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.126 0.489 . . . . 10.0 109.922 179.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -88.68 -32.4 18.01 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.71 -0.677 . . . . 10.0 109.362 178.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 26.2 mt -57.8 -31.99 67.11 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.971 -0.559 . . . . 10.0 111.15 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -58.39 -67.44 2.19 Favored Glycine 0 C--N 1.332 0.318 0 N-CA-C 110.344 -1.103 . . . . 10.0 110.344 178.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -53.51 -36.26 79.43 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.662 2.242 . . . . 10.0 110.663 177.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 24.9 t -58.99 -52.89 55.24 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.209 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.792 178.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 2.4 p -65.1 -35.16 80.25 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.986 -0.285 . . . . 10.0 110.722 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -65.74 -55.64 16.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.841 0.353 . . . . 10.0 110.475 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -65.05 -41.1 95.47 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.099 -0.5 . . . . 10.0 111.862 -179.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -63.87 -47.15 81.83 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.597 -0.274 . . . . 10.0 110.636 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -68.37 -35.75 78.17 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.408 -0.36 . . . . 10.0 110.805 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -60.49 -48.44 81.75 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.483 -0.562 . . . . 10.0 109.483 178.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -68.62 -33.23 73.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.831 -0.622 . . . . 10.0 109.934 178.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 9.8 mt -64.02 -36.71 84.88 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 115.928 -0.578 . . . . 10.0 109.446 178.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -65.89 -28.65 69.11 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-N 115.776 -0.647 . . . . 10.0 110.49 178.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 57.3 mttt -74.86 -43.78 52.61 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.798 -0.816 . . . . 10.0 108.798 178.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -63.14 -45.48 91.73 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.838 -0.619 . . . . 10.0 109.986 178.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 6.5 p -66.72 -35.43 80.1 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.096 -0.502 . . . . 10.0 109.658 178.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -61.02 -46.11 92.06 Favored 'General case' 0 C--O 1.231 0.081 0 N-CA-C 108.522 -0.918 . . . . 10.0 108.522 177.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -59.51 -46.53 93.79 Favored Glycine 0 N--CA 1.444 -0.827 0 N-CA-C 110.562 -1.015 . . . . 10.0 110.562 177.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 17.5 mt -63.38 -33.21 75.03 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-O 120.515 0.198 . . . . 10.0 110.993 178.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 57.5 mtt180 -67.32 -41.25 85.61 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.327 -0.62 . . . . 10.0 109.327 178.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -70.4 -41.63 72.73 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-N 115.711 -0.677 . . . . 10.0 109.648 178.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -67.89 -24.85 65.27 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-N 115.773 -0.649 . . . . 10.0 109.997 179.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 59.7 ttm -63.42 -30.84 71.9 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.54 -0.541 . . . . 10.0 109.54 178.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 3.6 m -76.91 5.64 7.56 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.553 -0.748 . . . . 10.0 110.742 179.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 36.0 mttm -130.54 -50.16 1.07 Allowed 'General case' 0 C--O 1.224 -0.246 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.104 179.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 246' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.18 -59.34 5.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.665 179.605 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . 20.5 mt -74.49 -35.63 63.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.462 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -63.79 -55.48 22.76 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.621 -0.263 . . . . 10.0 111.457 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.04 -37.65 88.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.723 -0.217 . . . . 10.0 111.012 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 250' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -63.51 -32.17 55.7 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.636 0 C-N-CA 120.531 -0.468 . . . . 10.0 111.08 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -85.86 -35.83 20.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.158 0.504 . . . . 10.0 111.078 179.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -70.58 -35.71 73.19 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.15 0.5 . . . . 10.0 110.246 179.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 31.3 mtpt -91.39 -20.89 21.32 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.016 -0.538 . . . . 10.0 111.802 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 254' ' ' VAL . . . . . . . . . . . . . 1.9 p -63.36 -26.2 40.25 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 C-N-CA 120.61 -0.436 . . . . 10.0 110.816 179.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -63.87 -62.89 4.55 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.29 -0.413 . . . . 10.0 110.332 179.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -62.67 -30.25 78.5 Favored 'Trans proline' 0 C--N 1.359 1.117 0 C-N-CA 121.833 1.689 . . . . 10.0 111.322 178.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 5.5 m-30 -65.5 -56.57 11.67 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.102 0.477 . . . . 10.0 109.901 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 40.1 mt -64.57 -38.58 91.51 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.746 -0.661 . . . . 10.0 111.019 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -61.42 -40.61 95.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.972 0.415 . . . . 10.0 110.407 179.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -67.13 -48.42 68.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.898 -0.592 . . . . 10.0 109.955 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -64.84 -45.98 83.85 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.952 -0.567 . . . . 10.0 111.17 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -59.26 -46.06 89.52 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.415 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.66 -50.62 71.78 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.977 -0.556 . . . . 10.0 110.224 179.736 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 264' ' ' LYS . . . . . . . . . . . . . 67.0 mttt -62.21 -40.56 96.53 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.306 -0.406 . . . . 10.0 111.252 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 5.5 m95 -65.67 -35.75 81.67 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.906 -0.405 . . . . 10.0 109.906 178.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -65.06 -42.51 94.12 Favored 'General case' 0 CA--C 1.519 -0.223 0 N-CA-C 108.194 -1.039 . . . . 10.0 108.194 178.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -62.21 -43.29 99.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.618 -0.719 . . . . 10.0 109.263 178.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -61.64 -42.19 98.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.529 -0.759 . . . . 10.0 110.065 179.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 90.2 mmm -65.67 -41.56 92.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.619 -0.719 . . . . 10.0 109.921 178.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -58.95 -48.52 81.22 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.34 0.591 . . . . 10.0 109.564 178.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 73.6 mt -61.86 -44.22 97.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.251 -0.886 . . . . 10.0 110.742 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -65.38 -38.22 89.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.178 -0.465 . . . . 10.0 111.019 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 43.8 mtt180 -69.85 -44.53 69.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.438 -0.346 . . . . 10.0 110.467 179.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -68.78 -15.87 63.63 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.686 179.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 275' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -92.82 -46.64 7.44 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.014 -0.539 . . . . 10.0 110.313 179.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 3.0 p -54.08 -31.42 21.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 113.164 0.802 . . . . 10.0 113.164 -178.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -64.47 -64.06 3.14 Favored Pre-proline 0 CA--C 1.535 0.37 0 N-CA-C 111.732 0.271 . . . . 10.0 111.732 179.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -63.86 -36.55 49.86 Favored 'Trans proline' 0 C--N 1.355 0.884 0 C-N-CA 121.762 1.641 . . . . 10.0 111.98 178.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 22.1 mt -61.33 -40.66 95.04 Favored 'General case' 0 CA--C 1.521 -0.169 0 C-N-CA 121.187 -0.205 . . . . 10.0 110.672 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 30.2 mtt180 -68.34 -30.95 70.03 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.466 -0.333 . . . . 10.0 110.288 179.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -66.2 -45.94 79.03 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.06 -0.719 . . . . 10.0 109.06 178.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -62.87 -44.47 96.03 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.402 -0.817 . . . . 10.0 109.206 178.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 10.2 mt -62.68 -44.93 95.0 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.796 179.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -63.35 -51.69 64.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.535 -0.302 . . . . 10.0 111.172 -179.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -65.35 -40.4 93.56 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 121.012 -0.275 . . . . 10.0 111.158 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -63.16 -47.83 84.93 Favored Glycine 0 N--CA 1.446 -0.663 0 N-CA-C 110.483 -1.047 . . . . 10.0 110.483 178.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -64.46 -35.14 79.96 Favored 'General case' 0 C--O 1.22 -0.45 0 N-CA-C 110.056 -0.35 . . . . 10.0 110.056 179.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 57.6 mtt180 -57.43 -48.63 78.63 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 116.387 -0.37 . . . . 10.0 110.119 179.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -65.79 -46.59 78.14 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.249 179.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 69.4 mttt -60.39 -40.43 90.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.27 -0.423 . . . . 10.0 111.12 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 28.3 mt -68.37 -42.65 78.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.223 178.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -64.89 -40.56 95.28 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.783 -0.451 . . . . 10.0 109.783 178.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -62.02 -37.2 84.01 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.542 -0.91 . . . . 10.0 108.542 178.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 3.5 mt -69.11 -49.41 57.3 Favored 'General case' 0 C--O 1.221 -0.418 0 CA-C-N 115.088 -0.96 . . . . 10.0 109.724 178.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -59.19 -37.45 77.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.839 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -67.32 -9.34 40.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.003 -0.544 . . . . 10.0 111.166 179.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 29.4 mmtp -113.47 -39.93 3.97 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.426 178.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 96.5 mt -58.25 -30.26 66.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.225 -0.443 . . . . 10.0 111.224 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 299' ' ' SER . . . . . . . . . . . . . 2.7 m -75.42 -63.87 0.64 Allowed Pre-proline 0 CA--C 1.537 0.453 0 CA-C-N 116.197 -0.456 . . . . 10.0 111.906 179.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 300' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -63.3 -46.05 10.69 Favored 'Trans proline' 0 C--N 1.36 1.133 0 C-N-CA 121.791 1.66 . . . . 10.0 112.581 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 73.1 mt -69.04 -27.66 65.86 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 109.965 -0.383 . . . . 10.0 109.965 179.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -69.32 -49.12 41.04 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 109.573 -1.411 . . . . 10.0 109.573 178.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -60.59 -44.3 96.39 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 109.116 -0.698 . . . . 10.0 109.116 178.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -60.6 -41.93 95.76 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.438 -0.801 . . . . 10.0 109.868 178.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 10.6 tpt -63.16 -44.27 95.96 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 116.172 -0.467 . . . . 10.0 109.952 179.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 58.0 mtt180 -63.99 -45.21 90.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.28 179.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -64.37 -39.53 94.05 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.993 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -72.32 -34.81 68.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 10.0 109.802 178.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -64.28 -32.49 74.1 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 109.251 -0.648 . . . . 10.0 109.251 178.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 310' ' ' ARG . . . . . . . . . . . . . 79.3 mtt180 -58.88 -52.53 65.33 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 109.096 -0.705 . . . . 10.0 109.096 178.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -67.81 -36.93 81.29 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.125 179.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -53.53 -53.44 51.5 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.761 -0.654 . . . . 10.0 110.074 178.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 32.7 t -78.51 -32.78 16.59 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 CA-C-N 115.471 -0.786 . . . . 10.0 111.597 -179.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -57.62 -48.07 80.44 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-O 120.752 0.311 . . . . 10.0 111.207 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -63.62 -41.12 98.31 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.203 179.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 21.1 mt -66.12 -48.96 69.13 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.406 179.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 19.9 ttm105 -59.3 -47.92 83.59 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.827 -179.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 18.2 m -67.13 -20.45 65.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.989 -0.55 . . . . 10.0 111.069 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -89.81 -33.21 16.6 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.961 0.41 . . . . 10.0 110.204 178.479 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 73.9 mt -69.82 -33.72 72.71 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.982 -0.554 . . . . 10.0 111.462 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -53.63 -58.52 12.68 Favored Pre-proline 0 CA--C 1.538 0.507 0 N-CA-C 112.578 0.584 . . . . 10.0 112.578 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -72.28 -33.25 9.37 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 121.526 1.484 . . . . 10.0 111.662 179.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 8.2 m-30 -63.33 -42.56 98.97 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 116.484 -0.326 . . . . 10.0 110.967 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 29.2 p -69.24 -31.45 70.01 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.999 -0.371 . . . . 10.0 109.999 179.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -66.85 -45.65 77.5 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.069 -0.715 . . . . 10.0 109.069 178.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -65.6 -34.82 79.11 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.611 -0.885 . . . . 10.0 108.611 177.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.64 -38.07 86.35 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.714 -0.675 . . . . 10.0 109.45 178.498 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 49.4 mtt180 -62.39 -41.93 99.03 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 109.351 -0.611 . . . . 10.0 109.351 178.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -66.32 -39.14 89.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.783 -0.644 . . . . 10.0 109.309 178.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 18.1 mtt180 -63.76 -47.48 80.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.558 -0.746 . . . . 10.0 109.59 178.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 93.0 mt -62.34 -42.44 99.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.751 -0.658 . . . . 10.0 110.154 179.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -61.2 -51.71 67.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.505 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -60.29 -45.93 91.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.645 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 43.5 mtt-85 -61.45 -47.46 85.62 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.674 179.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 55.1 mt -64.27 -41.46 96.91 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.101 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -63.27 -45.89 89.4 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.321 -0.252 . . . . 10.0 110.321 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -64.07 -39.11 93.36 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.404 -0.591 . . . . 10.0 109.404 178.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 1.9 mt -67.1 -31.28 71.64 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.808 179.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -79.73 -38.93 32.26 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.754 0.311 . . . . 10.0 110.316 178.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -67.51 -54.44 20.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.055 0.455 . . . . 10.0 109.82 179.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -68.93 -39.26 79.7 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.021 -0.536 . . . . 10.0 109.971 179.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -60.86 -41.19 99.14 Favored Glycine 0 N--CA 1.449 -0.49 0 CA-C-N 115.83 -0.623 . . . . 10.0 111.625 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -60.76 -39.42 96.7 Favored Glycine 0 N--CA 1.451 -0.34 0 N-CA-C 110.876 -0.889 . . . . 10.0 110.876 178.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -69.81 -41.27 75.24 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.734 -0.469 . . . . 10.0 109.734 178.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 39.8 mtm180 -64.44 -39.91 94.74 Favored 'General case' 0 C--O 1.227 -0.126 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.173 178.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 30.6 mt -64.12 -46.3 84.76 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 116.143 -0.48 . . . . 10.0 109.792 178.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.93 -41.02 90.85 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.352 -0.61 . . . . 10.0 109.352 179.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -67.33 -45.09 77.47 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.466 -0.788 . . . . 10.0 109.892 178.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 1.3 m-30 -59.86 -42.08 92.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.271 -0.422 . . . . 10.0 111.351 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 54.1 m-70 -63.56 -45.33 90.99 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.871 -0.418 . . . . 10.0 109.871 178.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -63.75 -48.83 75.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.21 179.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 12.6 mtmm -59.94 -39.06 84.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.369 179.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -60.95 -43.71 98.3 Favored 'General case' 0 CA--C 1.519 -0.213 0 N-CA-C 109.579 -0.526 . . . . 10.0 109.579 178.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 39.2 m -64.99 -38.36 90.72 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.303 -0.629 . . . . 10.0 109.303 178.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -63.55 -43.97 95.53 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.1 -0.5 . . . . 10.0 109.746 178.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -64.72 -37.0 86.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.788 -0.642 . . . . 10.0 109.389 178.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 84.4 mt -68.36 -33.56 74.49 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.437 179.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 49.7 m -61.21 -42.05 97.93 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.26 0.552 . . . . 10.0 109.972 178.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -79.85 -30.52 40.37 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.043 178.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 65.3 tp -65.07 -29.38 70.26 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 109.115 -0.698 . . . . 10.0 109.115 178.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 34.8 m -62.6 -33.34 74.79 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.93 -0.577 . . . . 10.0 109.817 178.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -68.98 -22.9 64.07 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.006 178.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 363' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -94.51 -23.79 17.55 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.752 -0.658 . . . . 10.0 109.985 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -80.63 -36.43 32.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.742 -0.663 . . . . 10.0 112.166 -179.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -109.88 -69.67 0.03 OUTLIER Pre-proline 0 CA--C 1.536 0.429 0 N-CA-C 112.984 0.735 . . . . 10.0 112.984 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.12 -63.98 0.17 Allowed 'Trans proline' 0 C--N 1.356 0.924 0 C-N-CA 122.595 2.196 . . . . 10.0 113.482 -179.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 367' ' ' ALA . . . . . . . . . . . . . . . -56.12 -47.13 78.7 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.995 0.368 . . . . 10.0 111.995 -179.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 1.5 mt -62.86 -42.53 99.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.559 -0.291 . . . . 10.0 111.478 -179.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -63.97 -45.79 87.53 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.991 -0.374 . . . . 10.0 109.991 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -60.66 -42.46 97.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.064 -0.516 . . . . 10.0 109.684 179.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 45.6 mt -62.61 -46.09 89.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.706 -0.679 . . . . 10.0 110.218 178.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -61.12 -46.83 88.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 10.0 110.65 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -61.88 -30.4 70.84 Favored 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 115.92 -0.582 . . . . 10.0 111.11 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -84.56 -31.7 23.88 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.756 -0.735 . . . . 10.0 111.661 179.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 28.3 mt -71.14 -33.7 70.32 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 111.796 0.295 . . . . 10.0 111.796 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 48.8 mt -51.83 -58.32 11.58 Favored Pre-proline 0 CA--C 1.534 0.344 0 N-CA-C 112.55 0.574 . . . . 10.0 112.55 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_endo -64.26 -31.8 62.94 Favored 'Trans proline' 0 C--N 1.354 0.843 0 C-N-CA 121.888 1.725 . . . . 10.0 111.317 178.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 47.1 t -64.57 -43.89 96.79 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.097 0 N-CA-C 109.409 -0.589 . . . . 10.0 109.409 178.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 96.6 mt -68.61 -30.65 69.43 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.452 -0.573 . . . . 10.0 109.452 178.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -64.77 -50.59 66.22 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.21 -0.663 . . . . 10.0 109.21 179.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 1.4 p -65.18 -30.0 70.87 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 109.354 -0.61 . . . . 10.0 109.354 178.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.77 -44.13 91.04 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 115.687 -0.688 . . . . 10.0 109.324 178.262 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 83.0 mttt -62.76 -45.14 94.08 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.362 -0.607 . . . . 10.0 109.362 178.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 87.4 t -57.9 -49.19 81.95 Favored 'Isoleucine or valine' 0 C--O 1.232 0.152 0 CA-C-N 115.509 -0.769 . . . . 10.0 111.045 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 5.2 p -70.75 -38.0 73.47 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 111.964 0.357 . . . . 10.0 111.964 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -62.92 -49.6 74.16 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.828 0.347 . . . . 10.0 110.566 179.591 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 81.3 mt -60.29 -42.15 94.84 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.012 -0.54 . . . . 10.0 111.796 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 3.5 p -70.49 -36.48 73.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.719 0.295 . . . . 10.0 110.784 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -66.49 -38.07 86.47 Favored 'General case' 0 CA--C 1.522 -0.13 0 N-CA-C 109.905 -0.406 . . . . 10.0 109.905 178.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 86.6 mt -60.86 -38.73 86.55 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.766 -0.652 . . . . 10.0 109.823 178.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -68.67 -37.88 79.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.839 -0.619 . . . . 10.0 109.506 178.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -60.13 -46.13 90.69 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.329 179.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -61.7 -48.33 81.25 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.153 178.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 27.4 m -56.88 -45.4 82.58 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.959 -0.564 . . . . 10.0 112.074 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -63.28 -30.47 71.61 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.762 0.653 . . . . 10.0 112.762 -178.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -106.28 11.4 31.13 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 113.096 0.776 . . . . 10.0 113.096 -178.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 19.8 mt -127.75 -20.03 3.99 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.654 0.264 . . . . 10.0 111.414 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 . . . . . 0 C--N 1.326 -0.443 0 CA-C-N 116.438 -0.346 . . . . 10.0 110.875 -179.406 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 2.5 mm? . . . . . 0 CA--C 1.52 -0.187 0 CA-C-O 121.295 0.569 . . . . 10.0 110.434 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -85.34 6.37 26.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.765 -0.652 . . . . 10.0 111.154 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 43.2 mt -61.36 -37.63 84.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.715 -0.675 . . . . 10.0 110.988 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 96.7 mt -64.06 -43.37 95.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.788 -0.642 . . . . 10.0 111.068 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.94 -37.78 82.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.162 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -64.46 -48.01 76.89 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.123 -0.489 . . . . 10.0 110.559 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 11.8 m95 -63.02 -26.46 68.86 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.91 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -63.7 -48.48 76.94 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 109.434 -0.58 . . . . 10.0 109.434 178.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 7.1 m -60.82 -34.97 75.34 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.067 178.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 53.5 t -68.14 -39.88 82.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 N-CA-C 109.414 -0.587 . . . . 10.0 109.414 179.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 28.3 m -66.13 -40.84 90.97 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.729 -0.668 . . . . 10.0 109.727 179.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 14.6 m -61.07 -47.19 87.49 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.485 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.39 -33.46 75.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.339 -0.391 . . . . 10.0 110.963 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -65.24 -39.03 92.15 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 108.848 -0.797 . . . . 10.0 108.848 177.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 33.1 m -66.95 -44.12 81.41 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.411 -0.813 . . . . 10.0 108.885 178.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 53.0 mmtt -62.19 -31.34 71.85 Favored 'General case' 0 C--O 1.226 -0.148 0 CA-C-N 115.97 -0.559 . . . . 10.0 109.994 178.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 14.8 tp -64.78 -45.32 86.8 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.118 -0.697 . . . . 10.0 109.118 178.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 62.0 mtt85 -68.76 -34.44 75.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.737 -0.665 . . . . 10.0 110.727 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -65.57 -21.67 66.62 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 116.0 -0.546 . . . . 10.0 109.918 178.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -89.17 -51.18 5.72 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 108.708 -0.849 . . . . 10.0 108.708 177.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 67.1 mt -47.58 -50.53 23.76 Favored 'General case' 0 C--O 1.226 -0.143 0 CA-C-N 115.09 -0.959 . . . . 10.0 112.452 -179.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -47.5 -74.49 0.24 Allowed Glycine 0 CA--C 1.525 0.685 0 O-C-N 123.368 0.418 . . . . 10.0 113.669 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -60.38 -39.71 64.44 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.802 2.335 . . . . 10.0 112.767 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 37.6 t -60.75 -48.8 87.2 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.229 0 N-CA-C 112.126 0.417 . . . . 10.0 112.126 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 32.6 p -64.43 -33.75 76.59 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-O 120.775 0.321 . . . . 10.0 110.845 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -62.95 -51.17 67.91 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.623 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -73.67 -25.17 60.13 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.578 -0.449 . . . . 10.0 110.084 178.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -67.27 -34.89 78.38 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.345 -0.983 . . . . 10.0 108.345 177.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 7.5 m95 -61.83 -48.27 81.34 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.71 -0.848 . . . . 10.0 108.71 178.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -62.41 -35.85 80.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.547 -0.751 . . . . 10.0 110.129 178.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -63.79 -45.52 89.31 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.733 -0.667 . . . . 10.0 109.22 178.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 88.7 mt -63.31 -41.09 98.9 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.664 -0.698 . . . . 10.0 109.61 178.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -63.77 -39.56 94.55 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.2 178.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -62.11 -40.61 96.48 Favored 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 109.181 -0.674 . . . . 10.0 109.181 178.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -66.73 -50.01 64.17 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.332 -0.849 . . . . 10.0 110.705 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 2.9 p -61.53 -47.99 83.04 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.967 -0.293 . . . . 10.0 111.32 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -64.73 -45.33 86.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.682 0.277 . . . . 10.0 111.223 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -63.46 -46.22 93.05 Favored Glycine 0 N--CA 1.448 -0.553 0 N-CA-C 111.385 -0.686 . . . . 10.0 111.385 179.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 85.6 mt -66.3 -29.81 70.09 Favored 'General case' 0 C--O 1.218 -0.557 0 N-CA-C 110.618 -0.141 . . . . 10.0 110.618 179.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 31.5 mtt180 -64.75 -30.91 71.93 Favored 'General case' 0 CA--C 1.522 -0.129 0 O-C-N 123.012 0.195 . . . . 10.0 110.621 179.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -62.92 -46.74 86.39 Favored 'General case' 0 N--CA 1.457 -0.114 0 CA-C-N 116.143 -0.48 . . . . 10.0 110.246 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -82.72 -26.21 32.18 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.903 178.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.13 -48.03 80.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.421 -0.354 . . . . 10.0 111.019 -179.626 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 2.9 p -61.84 -44.22 97.27 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 109.54 -0.541 . . . . 10.0 109.54 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -62.56 -42.01 99.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.584 -0.735 . . . . 10.0 110.02 178.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -63.55 -49.17 74.5 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.196 -0.456 . . . . 10.0 110.95 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 54.3 mt -65.53 -51.64 58.43 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.26 0.467 . . . . 10.0 112.26 -179.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -63.42 -44.51 94.39 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 111.945 0.35 . . . . 10.0 111.945 -179.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 447' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -71.57 -28.9 64.15 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.93 -0.308 . . . . 10.0 110.975 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.23 -30.14 45.05 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 CA-C-O 121.074 0.464 . . . . 10.0 110.215 179.418 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -65.83 -35.47 80.78 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.236 -1.024 . . . . 10.0 108.236 177.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -92.02 19.23 6.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.074 -0.966 . . . . 10.0 110.006 179.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 51.8 mttm -126.79 -51.41 1.46 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.612 -0.722 . . . . 10.0 110.12 179.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 62.9 t -69.37 -48.47 67.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 10.0 111.037 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -51.29 -58.88 9.08 Favored Pre-proline 0 CA--C 1.537 0.444 0 N-CA-C 111.914 0.338 . . . . 10.0 111.914 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -63.4 -26.8 70.84 Favored 'Trans proline' 0 C--N 1.357 1.007 0 C-N-CA 121.935 1.757 . . . . 10.0 112.027 179.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -75.94 -31.37 59.06 Favored 'General case' 0 CA--C 1.519 -0.236 0 N-CA-C 109.773 -0.454 . . . . 10.0 109.773 179.093 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 84.6 mt -63.57 -38.19 90.2 Favored 'General case' 0 CA--C 1.514 -0.412 0 N-CA-C 108.27 -1.011 . . . . 10.0 108.27 177.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -69.3 -43.49 73.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.182 -0.917 . . . . 10.0 109.133 178.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -60.44 -41.68 94.55 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 115.641 -0.709 . . . . 10.0 109.885 178.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -71.33 -40.73 70.57 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.444 -0.798 . . . . 10.0 110.053 178.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -58.06 -40.05 80.0 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.423 179.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 52.2 mttt -59.64 -50.18 74.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.037 -0.528 . . . . 10.0 109.896 178.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 26.3 mtmm -67.24 -36.01 80.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.82 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 8.5 m0 -65.0 -40.55 95.12 Favored 'General case' 0 CA--C 1.515 -0.394 0 N-CA-C 109.349 -0.612 . . . . 10.0 109.349 178.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -68.98 -40.32 78.87 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.72 -0.673 . . . . 10.0 109.25 178.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 465' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -57.44 -52.01 67.1 Favored 'General case' 0 C--O 1.222 -0.382 0 N-CA-C 108.577 -0.898 . . . . 10.0 108.577 177.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -60.95 -45.36 95.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.703 -0.68 . . . . 10.0 110.747 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 40.3 ttm -58.29 -49.7 76.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.429 -0.35 . . . . 10.0 110.526 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -66.25 -37.95 86.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.475 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 469' ' ' LEU . . . . . . . . . . . . . 54.7 mt -62.9 -43.89 97.58 Favored 'General case' 0 C--O 1.222 -0.343 0 O-C-N 123.574 0.546 . . . . 10.0 110.282 178.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 19.2 m-30 -61.33 -32.06 71.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.073 0.463 . . . . 10.0 110.441 179.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 -72.82 -23.78 60.82 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.434 179.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -104.67 -0.23 27.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.128 0.49 . . . . 10.0 111.397 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 473' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -125.62 -73.53 0.63 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.906 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 58.1 t -53.69 -45.31 60.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 N-CA-C 112.367 0.506 . . . . 10.0 112.367 -178.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -58.54 -61.09 8.33 Favored Pre-proline 0 CA--C 1.535 0.397 0 N-CA-C 112.575 0.583 . . . . 10.0 112.575 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -61.69 -33.96 84.83 Favored 'Trans proline' 0 C--N 1.353 0.806 0 C-N-CA 121.708 1.605 . . . . 10.0 111.154 178.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 20.2 mt -63.46 -36.85 85.11 Favored 'General case' 0 C--O 1.221 -0.403 0 N-CA-C 109.411 -0.588 . . . . 10.0 109.411 178.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 29.9 mtt180 -63.85 -28.72 70.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.438 -0.346 . . . . 10.0 110.377 178.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -74.06 -46.2 44.65 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 108.627 -0.879 . . . . 10.0 108.627 178.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.42 -40.96 96.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.85 -0.614 . . . . 10.0 109.426 178.302 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 53.9 mt -66.74 -29.61 69.62 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 115.693 -0.685 . . . . 10.0 110.115 178.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -70.72 -43.27 69.27 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 108.675 -0.861 . . . . 10.0 108.675 178.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -64.91 -43.66 92.09 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.566 -0.743 . . . . 10.0 109.122 178.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -63.83 -38.84 96.73 Favored Glycine 0 N--CA 1.446 -0.657 0 N-CA-C 110.819 -0.912 . . . . 10.0 110.819 178.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -65.57 -44.89 85.33 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 109.438 -0.578 . . . . 10.0 109.438 178.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 80.1 mtt180 -57.75 -44.93 86.45 Favored 'General case' 0 CA--C 1.52 -0.205 0 N-CA-C 108.924 -0.769 . . . . 10.0 108.924 178.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -62.98 -47.29 83.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.207 -0.906 . . . . 10.0 111.196 179.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 29.1 tttt -62.49 -40.0 95.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.006 0.431 . . . . 10.0 110.023 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 84.5 mt -64.23 -37.11 86.3 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 109.325 -0.62 . . . . 10.0 109.325 178.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -63.96 -45.66 88.16 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 108.55 -0.907 . . . . 10.0 108.55 178.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -58.98 -41.66 88.13 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 115.779 -0.646 . . . . 10.0 109.289 178.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 41.8 mt -67.59 -44.38 78.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.369 -0.832 . . . . 10.0 110.777 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -61.08 -33.84 73.97 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 121.232 0.539 . . . . 10.0 110.273 179.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -73.55 0.05 13.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.505 -0.771 . . . . 10.0 111.387 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 495' ' ' LYS . . . . . . . . . . . . . 30.7 mttp -121.92 -38.64 2.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.874 -0.603 . . . . 10.0 109.392 178.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 79.8 mt -60.82 -32.95 72.3 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.975 -0.557 . . . . 10.0 111.78 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 497' ' ' SER . . . . . . . . . . . . . 6.0 m -76.69 -65.37 0.41 Allowed Pre-proline 0 CA--C 1.54 0.579 0 N-CA-C 112.036 0.384 . . . . 10.0 112.036 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 498' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -65.41 -55.2 0.48 Allowed 'Trans proline' 0 C--N 1.354 0.828 0 C-N-CA 121.928 1.752 . . . . 10.0 113.068 -179.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 499' ' ' LEU . . . . . . . . . . . . . 45.2 mt -66.11 -28.4 68.78 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 110.44 -0.208 . . . . 10.0 110.44 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -66.46 -47.54 69.32 Favored Glycine 0 N--CA 1.447 -0.58 0 N-CA-C 109.682 -1.367 . . . . 10.0 109.682 178.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -63.29 -39.28 94.15 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 108.842 -0.799 . . . . 10.0 108.842 177.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 502' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -59.79 -48.47 81.55 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 115.63 -0.713 . . . . 10.0 109.353 178.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 81.4 mmm -58.95 -38.06 78.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.028 0.442 . . . . 10.0 110.573 179.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 61.8 mtt180 -67.51 -44.68 77.84 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 109.47 -0.567 . . . . 10.0 109.47 178.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -65.86 -40.28 91.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.763 179.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 506' ' ' ARG . . . . . . . . . . . . . 46.0 mtt180 -62.8 -45.43 92.65 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 108.39 -0.967 . . . . 10.0 108.39 178.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -60.27 -38.77 84.58 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.821 -0.627 . . . . 10.0 109.506 178.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 508' ' ' ARG . . . . . . . . . . . . . 49.3 mtt180 -61.64 -48.69 79.72 Favored 'General case' 0 C--O 1.218 -0.577 0 N-CA-C 109.21 -0.663 . . . . 10.0 109.21 178.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -62.48 -37.44 85.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.3 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 -70.41 -52.12 24.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.294 -0.412 . . . . 10.0 110.434 179.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 77.4 t -63.21 -42.54 96.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.439 -0.346 . . . . 10.0 111.14 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -61.05 -37.26 82.01 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.638 -0.504 . . . . 10.0 109.638 179.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -66.43 -45.64 79.18 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.631 -0.877 . . . . 10.0 108.631 178.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 514' ' ' LEU . . . . . . . . . . . . . 89.9 mt -57.99 -27.4 63.45 Favored 'General case' 0 C--O 1.23 0.06 0 CA-C-N 115.915 -0.584 . . . . 10.0 111.184 179.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 515' ' ' ARG . . . . . . . . . . . . . 75.0 mtt180 -63.79 -23.63 67.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.028 0.442 . . . . 10.0 110.067 178.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 1.5 m -118.92 -1.17 11.05 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.171 0.51 . . . . 10.0 110.332 179.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 36.7 m170 -106.58 -45.2 4.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.09 -0.504 . . . . 10.0 111.624 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 54.0 mt -94.89 -46.03 7.03 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.777 0.288 . . . . 10.0 111.777 -179.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 519' ' ' ALA . . . . . . . . . . . . . . . -54.31 -58.77 12.31 Favored Pre-proline 0 CA--C 1.537 0.462 0 N-CA-C 112.22 0.452 . . . . 10.0 112.22 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 520' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -63.31 -28.11 72.01 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 121.951 1.767 . . . . 10.0 110.633 178.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -64.33 -48.18 76.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.975 -0.557 . . . . 10.0 109.958 179.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.9 -31.22 72.36 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.598 -0.519 . . . . 10.0 109.598 178.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -68.13 -46.18 71.57 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.933 -0.576 . . . . 10.0 109.475 178.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -65.91 -32.74 74.41 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.738 -0.664 . . . . 10.0 109.258 178.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 33.8 mt -66.36 -35.97 81.68 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.313 178.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 526' ' ' ARG . . . . . . . . . . . . . 77.6 mtt180 -58.74 -35.09 72.15 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.396 -0.366 . . . . 10.0 110.496 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -66.5 -37.95 86.18 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.103 -0.498 . . . . 10.0 110.184 179.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 528' ' ' ARG . . . . . . . . . . . . . 28.8 mtt180 -74.95 -42.58 57.4 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.311 -0.626 . . . . 10.0 109.311 179.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 70.8 mt -63.04 -30.99 72.03 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 115.699 -0.682 . . . . 10.0 110.937 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -63.86 -36.68 84.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.145 0.498 . . . . 10.0 109.767 178.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -78.16 -36.87 47.05 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.418 -0.81 . . . . 10.0 109.022 179.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -62.82 -51.16 68.13 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.595 -0.73 . . . . 10.0 109.841 178.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 61.6 mt -66.11 -34.18 77.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.795 -0.639 . . . . 10.0 110.265 179.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -61.78 -46.94 87.38 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.504 -0.554 . . . . 10.0 109.504 178.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -66.12 -39.82 90.19 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.287 -0.87 . . . . 10.0 109.362 179.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 31.9 mt -63.97 -34.45 78.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.221 -0.445 . . . . 10.0 111.352 179.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 38.6 mtmt -79.45 -37.92 35.84 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.218 -0.446 . . . . 10.0 111.136 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.06 -53.53 9.79 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.607 0.241 . . . . 10.0 111.055 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -68.49 -32.33 72.23 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.122 -0.695 . . . . 10.0 109.122 179.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -69.54 -44.94 61.79 Favored Glycine 0 N--CA 1.443 -0.833 0 N-CA-C 110.427 -1.069 . . . . 10.0 110.427 178.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -61.75 -42.34 99.74 Favored Glycine 0 N--CA 1.448 -0.505 0 N-CA-C 110.554 -1.019 . . . . 10.0 110.554 178.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -62.19 -45.89 91.38 Favored 'General case' 0 N--CA 1.453 -0.275 0 N-CA-C 109.122 -0.696 . . . . 10.0 109.122 178.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 41.8 mtt180 -64.93 -34.6 78.81 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.287 179.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 31.3 mt -63.42 -38.58 91.71 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.266 -0.642 . . . . 10.0 109.266 178.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -69.58 -41.47 75.76 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 108.863 -0.792 . . . . 10.0 108.863 178.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -63.06 -49.1 75.87 Favored 'General case' 0 N--CA 1.461 0.076 0 CA-C-N 115.676 -0.693 . . . . 10.0 109.872 178.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -62.67 -38.47 90.45 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.208 179.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 20.2 t-80 -66.61 -45.34 79.45 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.698 0.285 . . . . 10.0 110.264 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -65.73 -43.86 87.73 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.33 -0.618 . . . . 10.0 109.33 178.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 2.5 ttmm -65.28 -24.35 67.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.765 -0.652 . . . . 10.0 111.351 179.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -67.07 -43.56 82.31 Favored 'General case' 0 CA--C 1.516 -0.355 0 N-CA-C 108.815 -0.809 . . . . 10.0 108.815 178.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.48 -33.66 67.14 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.737 -0.665 . . . . 10.0 109.467 178.642 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -61.03 -51.25 70.01 Favored 'General case' 0 CA--C 1.52 -0.192 0 N-CA-C 108.741 -0.837 . . . . 10.0 108.741 178.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -68.32 -27.86 66.66 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.126 -0.943 . . . . 10.0 110.206 179.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 54.8 tp -63.77 -42.91 97.7 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.432 -0.581 . . . . 10.0 109.432 178.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 7.8 m -66.21 -32.36 73.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.356 -0.838 . . . . 10.0 109.708 178.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 37.7 m -72.78 -39.62 66.6 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.764 -0.653 . . . . 10.0 109.274 178.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 50.9 mt -64.35 -48.57 75.02 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 115.626 -0.716 . . . . 10.0 110.52 179.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 5.3 p -64.52 -36.51 84.43 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.649 0.261 . . . . 10.0 110.538 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -60.89 -31.36 70.85 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.548 179.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.34 26.73 10.37 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.563 179.472 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -120.69 -51.8 2.14 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.829 -0.623 . . . . 10.0 109.655 178.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -56.6 -60.69 8.51 Favored Pre-proline 0 CA--C 1.534 0.348 0 CA-C-N 115.76 -0.654 . . . . 10.0 112.226 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -70.83 -26.45 22.54 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 121.483 1.456 . . . . 10.0 111.422 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -64.64 -53.22 51.0 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 116.361 -0.382 . . . . 10.0 110.198 179.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 95.6 mt -61.68 -39.33 91.05 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.876 0.37 . . . . 10.0 110.173 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -61.48 -56.29 21.75 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.947 179.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -63.88 -43.88 94.72 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.807 -0.633 . . . . 10.0 111.812 -179.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 19.5 mt -60.38 -44.17 95.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.403 -0.362 . . . . 10.0 111.102 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 56.5 mtt85 -68.31 -42.38 79.49 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.949 -0.301 . . . . 10.0 110.743 179.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -64.86 -19.13 65.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.35 -0.387 . . . . 10.0 110.708 179.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -95.54 -31.08 7.67 Favored Glycine 0 N--CA 1.447 -0.605 0 N-CA-C 110.721 -0.952 . . . . 10.0 110.721 178.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 13.8 mt -69.64 -37.12 76.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.362 -0.419 . . . . 10.0 111.06 179.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 43.6 mt -55.16 -62.72 3.86 Favored Pre-proline 0 CA--C 1.535 0.382 0 N-CA-C 111.979 0.363 . . . . 10.0 111.979 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -64.12 -34.62 56.9 Favored 'Trans proline' 0 C--N 1.354 0.839 0 C-N-CA 122.003 1.802 . . . . 10.0 112.244 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -66.02 -38.0 81.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 120.371 -0.532 . . . . 10.0 110.286 179.626 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 34.2 mt -69.92 -36.52 75.4 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 109.834 -0.432 . . . . 10.0 109.834 178.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -61.7 -42.83 99.47 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 108.715 -0.846 . . . . 10.0 108.715 177.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 10.8 m -67.6 -38.22 83.67 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.361 -0.836 . . . . 10.0 110.155 179.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 6.6 m-30 -65.14 -40.06 93.89 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-N 115.931 -0.577 . . . . 10.0 109.951 178.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -57.79 -47.49 82.4 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.334 -0.617 . . . . 10.0 109.334 178.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 88.8 t -60.1 -41.82 87.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.846 -0.616 . . . . 10.0 111.385 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -71.12 -40.98 71.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.794 0.33 . . . . 10.0 111.288 -179.472 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -70.56 -39.95 73.65 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.552 -0.295 . . . . 10.0 111.214 179.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 23.9 mt -59.6 -49.9 75.95 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.485 -0.325 . . . . 10.0 110.164 179.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 6.2 p -66.47 -37.42 85.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.516 179.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -59.64 -57.97 10.6 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.15 -0.477 . . . . 10.0 110.679 179.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 63.2 mt -61.19 -43.09 99.44 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.256 -0.429 . . . . 10.0 111.175 -179.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -59.32 -54.81 42.51 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.924 -0.58 . . . . 10.0 111.307 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -67.38 -30.13 69.83 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.274 0.472 . . . . 10.0 112.274 -179.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 1.4 m-30 -63.8 -45.74 88.31 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.05 0.453 . . . . 10.0 110.078 178.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 4.9 m -64.56 -20.06 66.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.653 -0.703 . . . . 10.0 111.341 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -82.25 -41.89 19.61 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.082 0.468 . . . . 10.0 110.26 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -74.57 -32.37 62.38 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.706 -0.679 . . . . 10.0 111.393 -179.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 87.3 mt -104.77 26.19 9.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.004 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 . . . . . 0 C--N 1.326 -0.415 0 CA-C-N 116.196 -0.457 . . . . 10.0 111.497 -179.592 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 15.2 m . . . . . 0 C--O 1.235 0.314 0 CA-C-O 121.054 0.454 . . . . 10.0 110.793 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.59 134.16 35.18 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.348 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -103.17 131.18 50.4 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.0 0.428 . . . . 10.0 110.824 179.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -119.52 116.29 25.78 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.117 -0.697 . . . . 10.0 109.117 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 47.5 mttm -81.95 115.18 21.0 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.701 0.286 . . . . 10.0 110.955 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 8.4 mt -114.91 126.16 54.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.198 -0.455 . . . . 10.0 111.235 -178.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 40.1 t -111.83 125.2 69.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.225 -0.443 . . . . 10.0 109.828 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 8.0 t -90.79 112.15 24.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.316 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 17.5 m -108.57 144.92 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.086 -0.506 . . . . 10.0 111.073 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 158.77 164.38 14.24 Favored Glycine 0 N--CA 1.443 -0.878 0 N-CA-C 110.472 -1.051 . . . . 10.0 110.472 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.78 161.88 28.11 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.06 0.457 . . . . 10.0 110.968 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -73.36 118.38 16.24 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.289 0.566 . . . . 10.0 111.318 -179.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 122.65 -10.45 9.08 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.706 -0.759 . . . . 10.0 112.793 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 25.9 m -76.03 -15.35 15.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.861 0.362 . . . . 10.0 111.724 -179.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 89.42 25.45 28.22 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.929 -0.653 . . . . 10.0 112.664 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 3.8 ptmm? -60.33 -34.86 74.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.584 0.23 . . . . 10.0 111.597 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 48.7 m -72.82 -45.91 55.93 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.697 -0.483 . . . . 10.0 109.697 179.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.96 -44.78 78.78 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.724 -0.671 . . . . 10.0 111.531 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 53.4 mt -59.88 -40.62 89.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.261 -0.427 . . . . 10.0 111.021 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 16.4 m -70.03 -45.24 67.6 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.108 -0.497 . . . . 10.0 110.659 179.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 95.5 mt -61.97 -34.75 64.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.761 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -64.97 -19.49 66.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.115 -0.493 . . . . 10.0 111.563 179.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 11.1 tp -97.34 -36.46 10.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.071 0.462 . . . . 10.0 110.975 179.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 43.0 mm -79.31 -50.02 18.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.017 -0.538 . . . . 10.0 112.192 -178.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -106.68 -5.24 18.71 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.169 0.433 . . . . 10.0 112.169 -178.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 56.12 44.15 25.71 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.992 -0.549 . . . . 10.0 112.473 179.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -149.29 157.87 43.7 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.467 -0.333 . . . . 10.0 110.273 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -101.95 141.42 34.83 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.182 -0.463 . . . . 10.0 111.194 -179.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 16.2 m -100.71 129.02 52.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.781 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -90.78 -31.3 16.57 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.404 0.621 . . . . 10.0 110.128 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -86.94 145.85 26.38 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.323 -0.853 . . . . 10.0 110.783 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -102.16 115.8 31.32 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.945 -0.571 . . . . 10.0 110.673 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -109.54 127.63 26.84 Favored Pre-proline 0 C--N 1.32 -0.715 0 CA-C-N 115.664 -0.698 . . . . 10.0 110.054 179.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -57.6 112.39 1.12 Allowed 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.706 2.271 . . . . 10.0 111.317 179.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 12.1 m -95.81 119.39 34.22 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.236 -0.438 . . . . 10.0 111.707 -179.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 50.4 mm -100.86 -47.89 11.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 108.567 -0.901 . . . . 10.0 108.567 178.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -159.27 101.37 1.56 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.673 -0.694 . . . . 10.0 110.376 179.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -107.89 117.95 35.47 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.25 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 4.4 p -106.84 118.76 37.54 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.897 0.38 . . . . 10.0 110.838 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -129.88 136.38 49.46 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.286 -0.415 . . . . 10.0 111.245 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -120.1 142.79 48.57 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.224 179.565 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 37.7 tttp -154.58 151.26 28.65 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.215 -0.661 . . . . 10.0 109.215 -179.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -129.68 121.82 27.73 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.842 0.353 . . . . 10.0 110.417 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 6.3 m -135.72 173.28 14.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.481 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 3.1 t -98.58 89.39 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.637 -0.505 . . . . 10.0 109.637 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 78.0 mt -89.46 114.06 26.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.908 -179.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 59.91 28.2 17.67 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.693 -0.685 . . . . 10.0 111.684 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.8 -6.58 79.64 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.374 -0.917 . . . . 10.0 112.696 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -106.42 113.61 27.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.655 0.264 . . . . 10.0 110.867 -179.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.47 110.92 8.14 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.859 -0.793 . . . . 10.0 108.859 178.312 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -130.19 158.71 38.98 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 112.209 0.448 . . . . 10.0 112.209 -178.122 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 36.4 tp -97.5 126.63 42.9 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.535 -0.757 . . . . 10.0 109.976 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 6.5 mp -92.32 109.75 21.14 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.745 -0.661 . . . . 10.0 110.616 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -93.55 80.52 4.32 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.279 -1.008 . . . . 10.0 108.279 178.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 8.7 mt -86.97 135.59 24.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 112.776 0.658 . . . . 10.0 112.776 -177.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 38.7 tp -131.92 105.67 7.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.589 -0.732 . . . . 10.0 110.245 179.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -93.12 103.69 15.96 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.288 -0.634 . . . . 10.0 109.288 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.33 154.86 18.42 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 112.581 0.586 . . . . 10.0 112.581 -178.709 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -54.52 139.77 36.78 Favored 'General case' 0 C--N 1.334 -0.101 0 N-CA-C 112.781 0.66 . . . . 10.0 112.781 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -119.73 30.82 5.59 Favored Glycine 0 N--CA 1.45 -0.411 0 N-CA-C 110.523 -1.031 . . . . 10.0 110.523 179.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -95.81 26.84 3.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.252 -0.474 . . . . 10.0 110.636 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 57.66 -161.11 0.23 Allowed 'General case' 0 C--O 1.238 0.481 0 CA-C-N 115.463 -0.79 . . . . 10.0 111.642 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 75.4 -44.48 0.53 Allowed 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.861 -0.609 . . . . 10.0 112.533 178.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -72.49 78.73 1.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.008 0.432 . . . . 10.0 111.034 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.94 -50.26 7.65 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.803 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.59 -28.73 33.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 10.0 111.121 -179.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 22.5 ttt -73.87 -33.67 64.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.469 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 7.5 ttp180 -62.31 -32.96 73.78 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.487 -0.324 . . . . 10.0 111.185 -179.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -60.77 -26.72 67.46 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.695 -0.684 . . . . 10.0 111.921 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -66.4 -60.97 2.26 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 112.347 0.499 . . . . 10.0 112.347 -178.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.72 -27.58 67.74 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.7 0.63 . . . . 10.0 112.7 -178.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 54.6 mtt -72.76 -12.85 61.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.459 0.647 . . . . 10.0 110.76 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -91.23 -45.46 8.62 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.67 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 2.5 m -80.72 -32.04 35.91 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.688 0.625 . . . . 10.0 112.688 -178.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.74 150.77 51.87 Favored Glycine 0 C--O 1.226 -0.384 0 C-N-CA 120.427 -0.892 . . . . 10.0 112.216 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -107.44 -45.84 3.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 117.084 0.442 . . . . 10.0 111.022 -179.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -109.98 137.86 14.5 Favored Glycine 0 N--CA 1.445 -0.73 0 N-CA-C 110.983 -0.847 . . . . 10.0 110.983 179.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -118.43 114.57 23.09 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.157 0.503 . . . . 10.0 111.8 -179.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 9.2 tp -91.93 108.99 20.32 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.503 -0.771 . . . . 10.0 109.569 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 6.8 m -87.06 101.05 13.09 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.625 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 43.8 t -103.35 128.42 56.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.941 0.4 . . . . 10.0 111.246 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 21.6 p90 -133.94 172.12 13.25 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.226 -0.443 . . . . 10.0 109.96 179.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -116.57 131.94 56.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.48 -0.327 . . . . 10.0 111.408 -179.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 15.6 pt -66.05 -23.04 31.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.962 -0.563 . . . . 10.0 111.592 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 19.6 p-10 -96.83 17.58 16.38 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.52 179.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -143.85 89.7 2.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.791 -0.641 . . . . 10.0 110.171 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -57.39 -30.96 65.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.816 -0.629 . . . . 10.0 111.565 -179.562 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -58.38 -47.38 84.04 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.708 -0.678 . . . . 10.0 111.304 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 96.0 p -62.74 -30.42 71.42 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.532 -0.304 . . . . 10.0 111.712 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -64.07 -39.98 95.25 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.573 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -77.55 -31.25 53.14 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.16 179.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -60.7 -33.75 73.34 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.853 -0.612 . . . . 10.0 111.105 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 51.2 mm -57.04 -37.55 55.64 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.912 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 61.3 t60 -65.57 -47.51 75.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.925 -0.58 . . . . 10.0 110.133 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 60.9 m-70 -61.79 -37.92 86.15 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.014 -0.539 . . . . 10.0 110.815 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -63.95 -46.52 84.33 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 115.967 -0.561 . . . . 10.0 110.268 179.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 37.8 ttt-85 -58.83 -41.78 87.71 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.941 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -60.14 -42.33 94.62 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.046 -0.525 . . . . 10.0 111.541 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -69.91 -45.21 68.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.399 -0.364 . . . . 10.0 111.09 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 84.4 mt -54.79 -44.37 71.14 Favored 'Isoleucine or valine' 0 C--O 1.238 0.487 0 CA-C-O 121.02 0.438 . . . . 10.0 110.834 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt -66.37 -26.67 67.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.728 -0.669 . . . . 10.0 111.163 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 23.8 ttm180 -78.99 -41.1 29.84 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.942 0.401 . . . . 10.0 110.742 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 45.2 t -62.3 -51.49 71.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.037 -179.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -85.57 -10.6 55.69 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.378 -0.374 . . . . 10.0 111.625 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 55.68 41.45 30.44 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.691 0.758 . . . . 10.0 110.361 -178.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 10.7 t -140.77 135.86 31.92 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.043 -0.981 . . . . 10.0 109.573 -179.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -85.47 -23.82 27.64 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.265 0.555 . . . . 10.0 110.384 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -99.17 89.48 4.25 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.185 -0.461 . . . . 10.0 111.035 -179.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 55.0 t -121.08 129.65 25.19 Favored Pre-proline 0 C--O 1.236 0.394 0 CA-C-N 115.692 -0.685 . . . . 10.0 109.643 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -62.45 106.88 0.52 Allowed 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.805 2.337 . . . . 10.0 111.587 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 64.7 mtm -135.64 151.79 50.58 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.917 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 92.4 t -132.52 133.8 59.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 109.686 -0.487 . . . . 10.0 109.686 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 16.8 tp -89.75 114.4 26.09 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.077 0.465 . . . . 10.0 109.802 179.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 63.2 t -113.06 122.5 67.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.961 -0.563 . . . . 10.0 111.355 -178.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -102.46 109.88 3.64 Favored Glycine 0 N--CA 1.447 -0.576 0 N-CA-C 110.811 -0.916 . . . . 10.0 110.811 178.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -92.71 165.49 12.93 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 117.076 0.438 . . . . 10.0 111.24 -179.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 83.7 mttt 62.01 31.45 17.97 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 112.63 0.604 . . . . 10.0 112.63 179.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 60.4 m -72.98 1.18 9.36 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.651 0.611 . . . . 10.0 112.651 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -101.09 1.76 39.67 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.825 0.345 . . . . 10.0 110.916 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 54.9 mt -85.89 145.2 40.63 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.377 -0.374 . . . . 10.0 111.112 179.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -79.46 150.7 22.25 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 122.996 2.464 . . . . 10.0 111.106 179.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 53.6 m 63.87 81.99 0.19 Allowed 'General case' 0 C--O 1.236 0.392 0 N-CA-C 112.63 0.604 . . . . 10.0 112.63 -179.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -100.27 139.8 35.42 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.866 -0.606 . . . . 10.0 110.44 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 2.7 m -88.13 -43.56 11.57 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.091 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 47.9 t -89.49 113.45 25.91 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 CA-C-N 115.839 -0.618 . . . . 10.0 109.639 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -80.53 149.32 30.03 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.534 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.52 -37.69 79.02 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.772 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -54.96 -45.13 74.89 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 113.147 0.795 . . . . 10.0 113.147 -179.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -75.61 -35.59 60.49 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.921 -0.312 . . . . 10.0 111.792 -179.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -69.16 -42.43 75.93 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.208 0.528 . . . . 10.0 111.042 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -68.38 -40.52 81.35 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.917 -0.583 . . . . 10.0 111.737 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -63.23 -38.63 91.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.943 0.401 . . . . 10.0 110.617 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 21.7 tp -65.88 -44.89 84.02 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.118 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -58.39 -45.19 88.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.796 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 33.6 ttp85 -59.93 -43.39 94.98 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.011 -0.54 . . . . 10.0 110.721 179.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 19.2 m -63.08 -23.72 67.57 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.032 -0.531 . . . . 10.0 111.873 -179.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 19.5 m-30 -99.36 -5.55 29.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.911 0.386 . . . . 10.0 111.659 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 76.44 28.04 60.42 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.939 -0.648 . . . . 10.0 113.041 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 45.4 pt -119.45 153.31 53.79 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 116.598 0.199 . . . . 10.0 110.737 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -86.32 153.84 9.35 Favored 'Trans proline' 0 N--CA 1.46 -0.455 0 C-N-CA 122.536 2.157 . . . . 10.0 111.602 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -124.44 132.65 53.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.469 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 2.6 mp -133.89 127.12 51.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.155 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -79.88 135.23 36.39 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 108.977 -0.749 . . . . 10.0 108.977 178.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 47.6 p -136.81 -178.77 5.33 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.518 0.675 . . . . 10.0 111.62 -178.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 10.5 t -167.26 119.39 0.92 Allowed 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 107.878 -1.156 . . . . 10.0 107.878 178.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -76.79 -27.9 55.43 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.977 -0.749 . . . . 10.0 108.977 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -63.77 -46.19 86.39 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.78 -1.1 . . . . 10.0 111.635 179.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 40.6 p -101.87 -0.95 33.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.922 0.391 . . . . 10.0 111.077 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 30.1 ttt-85 59.77 46.51 11.41 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.688 -0.687 . . . . 10.0 111.231 -179.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -96.42 125.58 41.02 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.619 -0.718 . . . . 10.0 110.739 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 65.2 12.36 55.05 Favored Glycine 0 C--N 1.335 0.484 0 C-N-CA 121.46 -0.4 . . . . 10.0 113.896 178.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 31.2 t -59.57 -44.83 94.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.697 0.248 . . . . 10.0 111.505 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -75.86 -41.92 50.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.239 -0.437 . . . . 10.0 110.444 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -56.96 -37.72 71.97 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.614 0.598 . . . . 10.0 112.614 -178.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -56.58 -51.56 68.15 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.024 0.44 . . . . 10.0 111.079 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -70.09 -39.47 75.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.995 -0.548 . . . . 10.0 111.02 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -57.41 -48.37 79.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.677 179.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 30.9 m -62.5 -43.56 98.52 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.954 -0.567 . . . . 10.0 111.196 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 30.0 tp -58.55 -50.73 72.73 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.642 0.258 . . . . 10.0 111.264 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 74.3 t -61.25 -41.94 91.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.313 0.578 . . . . 10.0 110.263 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 22.1 ttp180 -62.86 -38.89 92.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.573 -0.739 . . . . 10.0 111.037 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -65.61 -39.99 92.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.643 -0.253 . . . . 10.0 110.556 179.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 67.3 mt -63.28 -44.39 99.13 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 N-CA-C 109.304 -0.628 . . . . 10.0 109.304 178.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -63.04 -42.73 99.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.712 -0.676 . . . . 10.0 109.332 179.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 30.9 ttmt . . . . . 0 C--N 1.332 -0.186 0 CA-C-N 115.546 -0.752 . . . . 10.0 109.507 178.871 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 7.4 m . . . . . 0 N--CA 1.455 -0.211 0 CA-C-O 120.526 0.203 . . . . 10.0 111.044 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.81 120.47 27.26 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.482 -0.327 . . . . 10.0 110.219 179.521 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -87.77 131.2 34.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.698 0.285 . . . . 10.0 110.619 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -129.45 119.36 23.65 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.301 -0.408 . . . . 10.0 110.39 179.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 48.5 mttm -87.83 113.8 23.83 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.034 0.445 . . . . 10.0 110.016 179.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 17.3 mt -113.31 126.2 55.13 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.852 -0.613 . . . . 10.0 111.211 -178.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 46.4 t -112.88 123.66 68.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.295 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 3.0 t -87.12 123.14 39.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.229 -0.656 . . . . 10.0 109.229 179.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 27.7 m -119.13 156.73 21.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.975 0.417 . . . . 10.0 111.795 -179.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 146.11 171.32 15.45 Favored Glycine 0 N--CA 1.444 -0.788 0 N-CA-C 110.998 -0.841 . . . . 10.0 110.998 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.37 164.34 23.15 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.721 0.296 . . . . 10.0 110.412 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.54 142.47 37.35 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.955 -0.298 . . . . 10.0 110.509 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 91.48 3.49 69.08 Favored Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 116.007 -0.542 . . . . 10.0 113.466 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 33.8 m -80.48 -30.91 12.55 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 N-CA-C 112.789 0.663 . . . . 10.0 112.789 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 118.84 18.64 4.67 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.299 -0.953 . . . . 10.0 113.255 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -59.11 -41.72 88.83 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.022 0.439 . . . . 10.0 111.024 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 49.9 m -77.41 -38.46 49.73 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.145 -0.479 . . . . 10.0 110.446 -179.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.16 -43.02 96.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.401 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 79.7 mt -64.74 -44.94 88.53 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.823 179.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 30.5 m -63.22 -46.67 85.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.969 -0.56 . . . . 10.0 111.554 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 98.2 mt -61.39 -34.07 59.56 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 CA-C-O 120.949 0.404 . . . . 10.0 110.485 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -68.72 -13.89 62.67 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.586 179.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 24.6 tp -104.53 -36.3 7.57 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 120.961 0.41 . . . . 10.0 110.62 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 45.8 mm -76.74 -65.48 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.433 -0.349 . . . . 10.0 111.438 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -93.95 -13.93 26.52 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.901 0.382 . . . . 10.0 111.06 -179.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 57.3 m-80 66.88 50.26 1.11 Allowed 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 113.545 0.943 . . . . 10.0 113.545 178.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 25.1 p80 -149.58 154.23 38.35 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.783 -0.19 . . . . 10.0 110.729 178.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -98.61 137.98 36.46 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.749 -0.205 . . . . 10.0 111.198 -179.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 2.0 m -103.13 123.3 56.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.457 . . . . 10.0 110.808 179.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -82.59 -22.13 34.95 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.27 0.557 . . . . 10.0 110.8 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -94.68 135.03 36.63 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.801 -0.636 . . . . 10.0 110.462 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -66.12 132.47 48.58 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.706 -0.225 . . . . 10.0 110.67 -179.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -111.49 108.37 56.54 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 116.459 -0.337 . . . . 10.0 111.217 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -81.14 70.42 7.49 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 123.2 2.6 . . . . 10.0 111.167 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.28 156.45 36.35 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.132 -0.485 . . . . 10.0 111.498 -179.659 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 37.1 mm -102.23 -68.1 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 108.982 -0.747 . . . . 10.0 108.982 178.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -159.27 81.19 0.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.334 -0.848 . . . . 10.0 109.447 179.522 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -102.47 141.74 34.79 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.676 0.274 . . . . 10.0 111.108 -179.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -113.58 142.35 46.07 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.086 -0.506 . . . . 10.0 110.692 -179.658 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -132.38 135.56 46.22 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.537 -0.301 . . . . 10.0 110.406 -179.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -116.57 128.71 55.66 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.196 0.443 . . . . 10.0 112.196 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 34.8 tttp -142.74 133.48 25.35 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.813 -0.631 . . . . 10.0 109.694 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -107.69 110.79 22.73 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.846 0.355 . . . . 10.0 110.754 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 3.8 m -122.82 -178.44 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.688 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -113.09 69.92 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.967 0.413 . . . . 10.0 111.522 -179.183 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 64.8 mt -73.92 124.47 31.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 CA-C-N 116.022 -0.535 . . . . 10.0 110.399 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 67.04 14.65 9.91 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.899 -179.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.05 -39.81 2.65 Favored Glycine 0 N--CA 1.45 -0.417 0 CA-C-N 116.091 -0.504 . . . . 10.0 112.544 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -75.79 137.69 40.7 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.823 0.344 . . . . 10.0 111.704 -179.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 1.3 m -75.33 121.51 22.33 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.568 -0.901 . . . . 10.0 108.568 179.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -130.07 143.93 51.06 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.06 0.457 . . . . 10.0 112.068 -178.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 50.8 tp -97.74 112.58 24.41 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.677 -0.86 . . . . 10.0 108.677 178.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 23.5 mt -94.42 124.5 38.48 Favored 'General case' 0 C--N 1.313 -1.017 0 N-CA-C 112.399 0.518 . . . . 10.0 112.399 -178.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -105.69 93.22 4.53 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.976 -1.12 . . . . 10.0 107.976 178.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -91.11 146.83 5.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.216 -0.447 . . . . 10.0 111.922 -178.452 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 60.7 tp -133.51 121.17 21.78 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 115.677 -0.692 . . . . 10.0 111.072 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -93.3 109.13 20.67 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.551 -0.75 . . . . 10.0 109.377 179.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 72.7 p -97.9 156.45 16.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.344 -0.389 . . . . 10.0 111.485 -178.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -82.18 128.72 34.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.198 -0.455 . . . . 10.0 110.811 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -99.41 32.21 7.43 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.754 -0.736 . . . . 10.0 112.18 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -89.94 12.3 17.88 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.563 0.22 . . . . 10.0 111.417 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 62' ' ' GLU . . . . . 0.405 ' CG ' ' H ' ' C' ' 63' ' ' GLU . 3.3 tp10 63.76 -160.54 0.3 Allowed 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.982 -0.554 . . . . 10.0 111.495 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 63' ' ' GLU . . . . . 0.405 ' H ' ' CG ' ' C' ' 62' ' ' GLU . 2.8 tt0 73.76 -49.32 0.68 Allowed 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 123.639 0.776 . . . . 10.0 113.046 178.712 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -73.97 76.85 1.68 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.362 0.504 . . . . 10.0 112.362 -178.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.03 -41.67 15.57 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.888 -0.597 . . . . 10.0 110.282 179.265 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.52 -38.24 41.09 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.057 -0.519 . . . . 10.0 110.682 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 92.0 mtp -70.21 -16.13 63.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.094 0.473 . . . . 10.0 110.727 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 68' ' ' ARG . . . . . . . . . . . . . 2.2 ttp180 -76.88 -35.22 57.58 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.65 -0.704 . . . . 10.0 110.478 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.39 -39.68 80.29 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.666 -0.697 . . . . 10.0 111.705 -178.728 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -54.85 -60.31 3.54 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 113.294 0.85 . . . . 10.0 113.294 -178.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 71' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -75.22 -21.48 58.61 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.263 0.838 . . . . 10.0 113.263 -178.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 31.7 mtt -66.89 -38.84 87.03 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.12 0.486 . . . . 10.0 111.223 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 23.5 ttm105 -76.31 -24.82 54.36 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 6.4 m -86.12 -22.12 27.26 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.606 -179.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -72.22 141.12 30.8 Favored Glycine 0 C--O 1.239 0.428 0 C-N-CA 120.757 -0.735 . . . . 10.0 114.048 -178.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -95.84 -35.38 11.52 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 109.415 -0.587 . . . . 10.0 109.415 178.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -139.5 142.77 13.09 Favored Glycine 0 N--CA 1.445 -0.751 0 N-CA-C 110.498 -1.041 . . . . 10.0 110.498 179.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 78' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -120.23 125.25 47.68 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.258 0.551 . . . . 10.0 112.125 -179.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 12.0 tp -96.16 106.25 18.42 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.451 -0.795 . . . . 10.0 109.907 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 3.9 m -81.67 93.21 6.72 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.114 -0.493 . . . . 10.0 109.685 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 59.6 t -99.59 126.75 52.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.321 -0.399 . . . . 10.0 111.558 -178.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -134.4 168.04 19.64 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.301 -0.629 . . . . 10.0 109.301 178.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -104.37 127.27 52.01 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 110.038 -0.356 . . . . 10.0 110.038 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 84' ' ' ILE . . . . . . . . . . . . . 17.5 pt -64.13 -19.57 25.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.474 -0.33 . . . . 10.0 111.681 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 -97.38 6.01 48.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.414 -0.357 . . . . 10.0 110.94 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -133.77 98.9 4.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.066 0.46 . . . . 10.0 110.792 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.25 -37.17 74.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.679 -0.692 . . . . 10.0 112.219 -179.28 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -56.22 -48.59 76.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.888 0.375 . . . . 10.0 111.372 -179.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 84.4 p -61.48 -31.48 71.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.283 -0.417 . . . . 10.0 111.832 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -68.02 -45.34 74.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.704 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -70.32 -33.39 71.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.964 -0.562 . . . . 10.0 111.274 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.06 -25.48 65.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.717 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 50.2 mm -61.77 -32.17 53.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.986 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -65.99 -41.47 91.06 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.548 -0.538 . . . . 10.0 109.548 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -61.42 -41.1 96.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.6 -0.727 . . . . 10.0 110.021 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -67.25 -43.13 82.66 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.75 -0.659 . . . . 10.0 110.943 179.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -54.91 -48.54 72.93 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-O 120.744 0.307 . . . . 10.0 111.812 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -68.07 -39.56 82.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.415 -0.357 . . . . 10.0 111.637 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -62.57 -51.49 67.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.451 . . . . 10.0 111.154 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 76.2 mt -56.34 -44.02 78.69 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 CA-C-O 120.978 0.418 . . . . 10.0 110.985 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -62.09 -32.9 73.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.803 -0.635 . . . . 10.0 111.57 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 7.3 tmm_? -78.52 -37.37 43.22 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.609 -0.269 . . . . 10.0 110.979 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 98.3 t -62.22 -52.97 53.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.29 -0.414 . . . . 10.0 111.498 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -86.15 -5.5 59.19 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.555 -0.293 . . . . 10.0 111.579 -179.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 36.6 t70 51.64 63.37 2.27 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.536 -0.756 . . . . 10.0 111.803 -178.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 63.4 m -156.89 142.14 17.31 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.524 -0.762 . . . . 10.0 109.715 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -84.93 -20.17 31.08 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.09 0.471 . . . . 10.0 110.547 179.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -112.35 96.53 6.06 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.821 -179.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -122.71 130.63 24.56 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 115.742 -0.663 . . . . 10.0 109.345 179.664 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -56.53 105.13 0.16 Allowed 'Trans proline' 0 C--O 1.235 0.362 0 C-N-CA 122.988 2.459 . . . . 10.0 112.364 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 111' ' ' MET . . . . . . . . . . . . . 65.7 mtt -130.97 149.49 52.57 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.967 -0.56 . . . . 10.0 110.42 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 77.0 t -135.79 125.3 40.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 108.93 -0.767 . . . . 10.0 108.93 178.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 16.1 tp -84.37 119.24 24.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.898 0.38 . . . . 10.0 110.201 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 65.2 t -120.3 121.74 66.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.107 0.479 . . . . 10.0 111.358 -178.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -100.65 102.26 2.42 Favored Glycine 0 N--CA 1.448 -0.536 0 N-CA-C 110.775 -0.93 . . . . 10.0 110.775 178.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -87.65 168.92 12.59 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.81 0.338 . . . . 10.0 111.672 -178.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 82.2 mttt 67.72 31.66 5.82 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 115.41 -0.814 . . . . 10.0 111.623 179.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 118' ' ' CYS . . . . . . . . . . . . . 58.5 m -71.33 -1.26 12.28 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 112.375 0.509 . . . . 10.0 112.375 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -89.22 -25.42 21.76 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.5 -0.555 . . . . 10.0 109.5 178.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 61.1 mt -70.85 126.69 92.18 Favored Pre-proline 0 N--CA 1.449 -0.486 0 CA-C-N 115.848 -0.615 . . . . 10.0 110.577 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -75.26 158.65 41.08 Favored 'Trans proline' 0 CA--C 1.529 0.235 0 C-N-CA 122.942 2.428 . . . . 10.0 111.992 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 12.8 m 64.26 66.09 0.64 Allowed 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.756 0.789 . . . . 10.0 111.934 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -79.29 151.27 31.19 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.254 -0.885 . . . . 10.0 111.034 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.74 -37.9 12.1 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.47 -0.332 . . . . 10.0 110.509 178.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 58.0 t -98.24 121.04 48.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 109.788 -0.449 . . . . 10.0 109.788 179.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -77.44 152.18 34.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.575 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 5.9 m -60.55 -43.51 97.13 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.165 -0.471 . . . . 10.0 110.975 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -63.78 -46.0 87.2 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.708 0.633 . . . . 10.0 112.708 -178.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -65.76 -31.71 72.84 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 120.772 -0.371 . . . . 10.0 111.058 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -75.35 -42.3 54.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.305 0.574 . . . . 10.0 109.982 179.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -66.05 -36.07 82.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.78 -0.645 . . . . 10.0 110.647 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -60.06 -40.2 88.65 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.389 0.614 . . . . 10.0 109.984 178.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 20.1 tp -66.69 -37.83 85.53 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.655 -0.702 . . . . 10.0 110.335 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.25 -34.13 77.31 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.802 -0.636 . . . . 10.0 109.801 178.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 3.8 tmm_? -60.79 -44.18 97.14 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.517 -0.765 . . . . 10.0 110.441 179.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 12.1 m -64.74 -31.77 73.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.07 -0.514 . . . . 10.0 111.726 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 13.7 m-30 -83.8 -24.64 30.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.133 0.492 . . . . 10.0 110.509 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 85.45 21.91 52.71 Favored Glycine 0 N--CA 1.444 -0.77 0 N-CA-C 111.224 -0.75 . . . . 10.0 111.224 -178.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 45.3 pt -113.98 158.69 38.63 Favored Pre-proline 0 C--N 1.327 -0.4 0 N-CA-C 110.214 -0.291 . . . . 10.0 110.214 -179.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -84.86 152.45 11.32 Favored 'Trans proline' 0 N--CA 1.462 -0.367 0 C-N-CA 122.971 2.447 . . . . 10.0 112.22 -179.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -122.65 134.17 54.5 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.389 -0.597 . . . . 10.0 109.389 179.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 65.9 mt -133.93 131.88 56.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.743 0.306 . . . . 10.0 110.596 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -86.77 128.68 35.03 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.758 -0.83 . . . . 10.0 108.758 178.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 61.1 p -131.25 174.09 10.4 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.744 0.783 . . . . 10.0 112.255 -178.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 11.2 t -162.64 114.76 1.61 Allowed 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 114.675 -1.148 . . . . 10.0 108.347 178.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -66.56 -28.22 68.36 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.659 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 67.9 tttt -59.31 -33.05 70.64 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.999 -0.546 . . . . 10.0 111.811 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -120.72 8.19 10.58 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 111.914 0.339 . . . . 10.0 111.914 -179.255 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 55.81 14.14 1.25 Allowed 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 113.576 0.954 . . . . 10.0 113.576 179.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -76.02 133.59 40.35 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.388 -0.369 . . . . 10.0 111.328 -179.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 81.01 -17.4 11.78 Favored Glycine 0 C--N 1.332 0.335 0 CA-C-N 115.987 -0.551 . . . . 10.0 113.635 179.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 96.2 t -53.91 -50.25 54.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.904 0.383 . . . . 10.0 111.813 -178.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -59.37 -58.5 8.34 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.101 -0.499 . . . . 10.0 111.526 -179.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -57.76 -36.5 72.2 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.715 0.635 . . . . 10.0 112.715 -178.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -56.13 -50.65 70.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.641 0.258 . . . . 10.0 111.368 179.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -73.17 -35.26 66.39 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.379 -0.373 . . . . 10.0 111.13 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 4.3 m-30 -63.14 -49.12 75.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.404 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 40.3 m -63.09 -37.52 87.54 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.387 179.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 45.0 tp -55.42 -47.88 75.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.528 179.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 79.3 t -70.14 -41.26 78.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.577 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 20.1 ttp-105 -59.86 -41.31 91.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.637 -0.71 . . . . 10.0 111.963 -179.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 162' ' ' GLU . . . . . 0.431 ' CD ' ' HZ1' ' C' ' 165' ' ' LYS . 33.6 mm-40 -62.19 -35.55 79.17 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.893 0.377 . . . . 10.0 111.249 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 54.8 mt -62.21 -43.56 98.06 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 N-CA-C 108.932 -0.766 . . . . 10.0 108.932 178.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -63.27 -40.89 98.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.236 -0.893 . . . . 10.0 109.875 179.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 165' ' ' LYS . . . . . 0.431 ' HZ1' ' CD ' ' C' ' 162' ' ' GLU . 29.5 ttmt -61.89 -45.42 93.82 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.737 -0.665 . . . . 10.0 110.771 179.395 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 29.1 t-80 -61.05 -50.98 71.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.906 -0.588 . . . . 10.0 111.18 -179.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 97.2 mttt . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.126 -0.488 . . . . 10.0 111.708 -179.869 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.854 0.359 . . . . 10.0 111.378 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 58.7 mt -70.64 -28.74 65.04 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.303 -0.408 . . . . 10.0 111.108 -179.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 89.5 mt -71.64 -48.81 45.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.15 -0.477 . . . . 10.0 110.675 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -61.62 -41.47 97.52 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.638 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -69.2 -35.02 75.79 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 116.115 -0.493 . . . . 10.0 111.228 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 9.3 t90 -63.43 -32.33 73.74 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.129 0.49 . . . . 10.0 110.517 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -63.61 -39.38 94.23 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.743 -0.662 . . . . 10.0 109.892 178.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.04 -31.49 72.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.309 0.576 . . . . 10.0 110.482 179.508 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 33.5 t -74.59 -47.21 40.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.789 -0.641 . . . . 10.0 109.758 178.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 46.7 m -60.44 -43.45 96.82 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.69 -0.687 . . . . 10.0 111.728 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 4.0 p -61.8 -37.35 84.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.965 0.412 . . . . 10.0 110.5 179.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 53.1 m -65.98 -43.66 87.2 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.489 -0.56 . . . . 10.0 109.489 178.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -60.8 -44.07 97.34 Favored 'General case' 0 C--N 1.334 -0.095 0 CA-C-N 115.892 -0.595 . . . . 10.0 110.961 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 46.8 m -63.03 -46.31 88.17 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.318 -0.401 . . . . 10.0 111.072 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 22.7 mttt -65.32 -32.07 73.53 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.002 0.429 . . . . 10.0 110.374 178.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 19.3 mt -68.86 -45.44 71.04 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 108.975 -0.75 . . . . 10.0 108.975 177.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 43.4 mtt180 -62.79 -37.21 85.77 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.737 179.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -64.67 -27.34 68.86 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.938 0.399 . . . . 10.0 110.614 178.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -90.08 -28.65 18.87 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.335 179.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 66.0 mt -56.75 -37.36 70.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.725 -0.67 . . . . 10.0 111.219 179.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -56.12 -66.54 2.77 Favored Glycine 0 C--N 1.332 0.308 0 N-CA-C 111.51 -0.636 . . . . 10.0 111.51 178.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_exo -53.72 -42.99 61.77 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.466 2.111 . . . . 10.0 111.439 178.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 40.3 t -57.68 -52.4 58.04 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.177 0 CA-C-N 116.566 -0.288 . . . . 10.0 111.771 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 15.5 p -61.38 -44.14 97.67 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 121.21 -0.196 . . . . 10.0 111.246 -179.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -62.04 -47.91 82.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.465 -0.334 . . . . 10.0 111.637 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -70.11 -39.1 75.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.539 -0.3 . . . . 10.0 110.918 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 21.3 t80 -65.63 -42.71 91.19 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.991 -0.374 . . . . 10.0 109.991 179.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -64.29 -36.19 83.3 Favored 'General case' 0 CA--C 1.521 -0.153 0 N-CA-C 109.677 -0.49 . . . . 10.0 109.677 178.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.86 -43.7 95.33 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.133 -0.692 . . . . 10.0 109.133 178.246 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 55.6 m-20 -68.1 -31.47 71.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.468 -0.787 . . . . 10.0 109.84 178.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 57.9 mt -70.92 -42.36 69.98 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 108.992 -0.744 . . . . 10.0 108.992 178.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -61.42 -34.37 75.27 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.411 178.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 48.5 mttt -63.77 -47.48 80.8 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 108.873 -0.788 . . . . 10.0 108.873 177.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.72 -43.27 99.23 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.403 -0.817 . . . . 10.0 109.913 179.193 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 3.9 m -68.46 -34.62 76.26 Favored 'General case' 0 C--O 1.224 -0.275 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.048 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -61.56 -46.5 89.64 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 108.615 -0.883 . . . . 10.0 108.615 178.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -61.83 -42.9 99.8 Favored Glycine 0 N--CA 1.444 -0.768 0 N-CA-C 110.175 -1.17 . . . . 10.0 110.175 178.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 43.1 mt -66.04 -29.55 69.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.769 -0.215 . . . . 10.0 111.172 178.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 57.6 mtt180 -70.14 -40.34 74.85 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.17 -0.678 . . . . 10.0 109.17 178.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -71.46 -35.03 70.74 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.577 -0.897 . . . . 10.0 108.577 177.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -67.54 -38.19 83.83 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-N 115.196 -0.911 . . . . 10.0 109.506 178.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 43.1 ttm -61.01 -33.72 73.7 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.353 0.597 . . . . 10.0 109.821 179.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 4.5 m -76.83 6.56 5.92 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.76 -0.655 . . . . 10.0 110.922 179.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 38.5 mttm -130.78 -59.04 1.02 Allowed 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.096 179.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 246' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -56.06 -54.19 47.99 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.927 -0.579 . . . . 10.0 111.052 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . 6.7 mt -75.17 -35.5 61.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.149 -0.478 . . . . 10.0 111.415 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -64.65 -48.02 76.35 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.512 -0.313 . . . . 10.0 111.262 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -66.29 -40.09 89.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.101 -0.499 . . . . 10.0 110.038 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 250' ' ' VAL . . . . . . . . . . . . . 1.9 p -66.19 -35.48 75.1 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.447 0 C-N-CA 120.831 -0.347 . . . . 10.0 110.981 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -74.55 -36.13 63.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.13 0.49 . . . . 10.0 110.976 179.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -74.98 -42.73 57.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.694 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 70.0 mttt -79.54 -23.25 42.98 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.363 0.505 . . . . 10.0 112.363 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 254' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -60.08 -27.19 38.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.957 -0.297 . . . . 10.0 110.931 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -63.84 -65.08 2.25 Favored Pre-proline 0 N--CA 1.452 -0.35 0 CA-C-N 116.11 -0.496 . . . . 10.0 111.301 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -65.81 -30.06 49.93 Favored 'Trans proline' 0 C--N 1.358 1.042 0 C-N-CA 121.809 1.672 . . . . 10.0 112.103 179.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 6.2 m-30 -67.24 -53.77 27.02 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.756 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 19.4 mt -70.07 -33.35 71.81 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 116.426 -0.352 . . . . 10.0 110.51 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -60.79 -40.21 91.77 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.655 -0.498 . . . . 10.0 109.655 178.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -70.45 -43.92 68.89 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.448 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -63.56 -48.85 75.77 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.244 179.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -63.43 -37.82 88.75 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.764 -0.653 . . . . 10.0 110.27 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 26.5 ttmt -61.16 -46.61 89.83 Favored 'General case' 0 CA--C 1.519 -0.227 0 N-CA-C 109.585 -0.524 . . . . 10.0 109.585 178.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 264' ' ' LYS . . . . . . . . . . . . . 54.3 mttt -64.56 -41.23 96.45 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.816 -0.629 . . . . 10.0 109.808 178.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 16.8 m95 -62.9 -35.61 80.63 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.06 178.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -61.79 -47.45 85.11 Favored 'General case' 0 C--O 1.233 0.237 0 N-CA-C 108.822 -0.807 . . . . 10.0 108.822 178.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -63.06 -43.49 98.48 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 115.831 -0.622 . . . . 10.0 109.474 178.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -58.36 -43.6 88.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.751 -0.659 . . . . 10.0 110.406 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 56.4 mmm -63.66 -43.02 97.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.785 -0.643 . . . . 10.0 109.691 178.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -63.85 -47.02 82.4 Favored 'General case' 0 C--O 1.224 -0.256 0 CA-C-N 116.084 -0.507 . . . . 10.0 109.921 179.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 72.2 mt -59.43 -42.9 92.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.395 179.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -67.84 -36.05 79.66 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.848 179.457 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 69.9 mtt180 -72.55 -35.44 68.03 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.921 0.391 . . . . 10.0 110.712 179.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -75.01 -20.16 59.75 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.248 179.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 275' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -95.57 -41.43 8.94 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.735 -0.666 . . . . 10.0 111.347 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 7.8 p -55.96 -35.41 40.71 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.262 0 N-CA-C 112.86 0.689 . . . . 10.0 112.86 -178.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -61.3 -63.01 4.82 Favored Pre-proline 0 CA--C 1.538 0.494 0 N-CA-C 112.379 0.511 . . . . 10.0 112.379 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -64.51 -37.21 39.41 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 121.731 1.621 . . . . 10.0 112.146 179.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 19.0 mt -64.26 -46.58 83.13 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.864 -0.153 . . . . 10.0 111.242 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 31.7 ttm180 -64.87 -32.78 74.64 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.629 -0.508 . . . . 10.0 109.629 178.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -64.54 -45.78 85.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.97 -0.559 . . . . 10.0 109.543 178.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -65.11 -40.98 95.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.558 -0.746 . . . . 10.0 109.615 178.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 84.7 mt -67.27 -32.84 74.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.98 -0.554 . . . . 10.0 110.61 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 -72.48 -50.2 27.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 10.0 109.887 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -63.63 -43.32 97.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 10.0 109.695 178.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -61.12 -41.72 99.56 Favored Glycine 0 N--CA 1.445 -0.766 0 N-CA-C 110.522 -1.031 . . . . 10.0 110.522 178.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -63.9 -45.77 87.86 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 109.27 -0.641 . . . . 10.0 109.27 178.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 62.5 mtt180 -55.92 -47.95 76.57 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.648 179.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 7.5 tm0? -66.26 -53.04 41.62 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.897 0.332 . . . . 10.0 111.897 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 290' ' ' LYS . . . . . 0.462 ' HZ3' ' CD ' ' D' ' 491' ' ' GLU . 70.5 mttt -60.89 -47.0 88.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.389 -0.369 . . . . 10.0 111.976 -179.13 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 97.0 mt -67.05 -31.46 71.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.503 -0.317 . . . . 10.0 110.418 179.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -64.26 -45.05 89.78 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 109.436 -0.579 . . . . 10.0 109.436 179.07 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.99 -36.55 81.82 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.691 -0.686 . . . . 10.0 109.632 178.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 77.1 mt -67.54 -41.91 83.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.911 -0.586 . . . . 10.0 109.635 178.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -64.68 -36.08 83.13 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.593 -0.521 . . . . 10.0 109.593 178.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -67.2 -10.79 54.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.349 -0.841 . . . . 10.0 110.406 179.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp -109.06 -32.46 7.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.179 178.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 66.0 mt -61.08 -30.39 70.31 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.118 -0.492 . . . . 10.0 111.527 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 299' ' ' SER . . . . . . . . . . . . . 12.9 m -75.66 -63.01 0.7 Allowed Pre-proline 0 C--N 1.324 -0.511 0 CA-C-O 119.304 -0.379 . . . . 10.0 111.877 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 300' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -63.42 -53.11 1.56 Allowed 'Trans proline' 0 C--N 1.358 1.046 0 C-N-CA 121.884 1.723 . . . . 10.0 112.401 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 85.0 mt -65.93 -28.12 68.69 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-O 120.866 0.365 . . . . 10.0 110.061 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -68.84 -55.58 10.88 Favored Glycine 0 N--CA 1.448 -0.516 0 N-CA-C 110.989 -0.844 . . . . 10.0 110.989 178.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -60.07 -40.17 88.57 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.417 -0.586 . . . . 10.0 109.417 178.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -59.18 -47.39 85.5 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.347 -0.842 . . . . 10.0 109.744 178.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 12.8 tpt -63.88 -42.65 97.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.282 178.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 77.5 mtt180 -60.04 -52.3 65.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.885 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -63.33 -38.91 92.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.421 -0.354 . . . . 10.0 111.021 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 -68.15 -36.82 80.27 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.458 -0.337 . . . . 10.0 110.109 178.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -64.97 -38.06 89.72 Favored 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 108.905 -0.776 . . . . 10.0 108.905 178.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 310' ' ' ARG . . . . . . . . . . . . . 90.6 mtt180 -59.32 -43.79 92.65 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.481 -0.781 . . . . 10.0 109.261 178.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -68.04 -40.6 82.84 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.96 -0.564 . . . . 10.0 109.912 179.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -56.61 -52.48 64.69 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.673 -0.694 . . . . 10.0 110.089 179.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 24.6 t -74.05 -29.74 26.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.749 -0.66 . . . . 10.0 111.423 -179.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -62.52 -47.81 82.27 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.906 0.384 . . . . 10.0 110.322 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -64.88 -37.64 88.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.789 -0.641 . . . . 10.0 109.688 178.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 52.5 mt -66.98 -42.76 84.55 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-N 115.68 -0.691 . . . . 10.0 110.421 179.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 23.2 ttm105 -64.1 -47.38 80.28 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.948 -0.39 . . . . 10.0 109.948 179.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 26.5 m -62.52 -29.17 70.36 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.25 179.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -82.85 -39.97 20.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.506 179.314 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 32.4 mt -66.12 -31.29 72.07 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.322 0.49 . . . . 10.0 112.322 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -51.8 -60.99 4.87 Favored Pre-proline 0 CA--C 1.54 0.591 0 N-CA-C 112.169 0.433 . . . . 10.0 112.169 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -71.74 -31.57 12.91 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 121.748 1.632 . . . . 10.0 111.254 178.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 10.1 m-30 -61.68 -50.13 73.73 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-N 116.691 -0.231 . . . . 10.0 110.742 179.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 27.3 p -64.59 -37.52 87.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.899 0.381 . . . . 10.0 110.337 179.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.41 -43.95 97.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 10.0 110.36 179.029 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -75.1 -27.12 59.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.27 179.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 23.5 mt -66.11 -34.18 77.48 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 108.369 -0.974 . . . . 10.0 108.369 177.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 62.9 mtt180 -68.74 -35.68 77.42 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 108.646 -0.872 . . . . 10.0 108.646 177.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -65.26 -42.05 93.63 Favored 'General case' 0 CA--C 1.521 -0.168 0 N-CA-C 108.574 -0.899 . . . . 10.0 108.574 177.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 79.2 mtt180 -60.39 -52.15 66.45 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.117 -0.947 . . . . 10.0 108.516 177.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 67.6 mt -55.57 -43.8 76.27 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 115.646 -0.707 . . . . 10.0 110.304 179.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -59.21 -50.72 72.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.018 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -59.8 -41.94 92.32 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.332 -0.395 . . . . 10.0 110.482 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -63.51 -50.12 70.85 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.777 -0.647 . . . . 10.0 109.748 179.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 73.2 mt -61.93 -39.29 91.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 10.0 111.394 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -62.23 -50.44 71.76 Favored 'General case' 0 CA--C 1.519 -0.223 0 N-CA-C 109.769 -0.456 . . . . 10.0 109.769 179.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -62.49 -42.78 99.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.035 -0.53 . . . . 10.0 109.922 179.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 84.6 mt -63.18 -24.37 67.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.71 -0.677 . . . . 10.0 111.928 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -88.03 -47.42 8.54 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.48 0.181 . . . . 10.0 110.829 179.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -63.28 -52.92 60.06 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.228 0.537 . . . . 10.0 109.99 178.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -71.92 -34.33 68.99 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.576 -0.738 . . . . 10.0 109.957 179.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -64.31 -42.5 97.75 Favored Glycine 0 N--CA 1.452 -0.291 0 CA-C-N 115.749 -0.659 . . . . 10.0 111.883 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -61.66 -40.98 99.5 Favored Glycine 0 N--CA 1.448 -0.56 0 N-CA-C 110.657 -0.977 . . . . 10.0 110.657 178.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -63.33 -42.83 99.0 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.426 -0.583 . . . . 10.0 109.426 178.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 59.0 mtm180 -64.74 -39.72 94.1 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.259 179.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 60.1 mt -62.41 -47.95 81.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.07 -0.513 . . . . 10.0 110.717 179.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.61 -45.86 90.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.032 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -63.32 -47.03 83.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.694 -0.684 . . . . 10.0 110.683 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -62.17 -34.96 77.4 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.007 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -67.02 -46.22 75.14 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.007 -0.542 . . . . 10.0 109.614 178.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -63.22 -44.48 95.14 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 115.801 -0.636 . . . . 10.0 110.295 179.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 12.9 mttm -63.28 -37.43 87.21 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.609 179.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -61.41 -44.71 96.66 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.669 -0.493 . . . . 10.0 109.669 179.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 1.5 m -65.05 -34.96 79.68 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.034 -0.53 . . . . 10.0 109.95 178.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -62.69 -45.65 91.81 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 109.283 -0.636 . . . . 10.0 109.283 178.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 61.9 m-70 -67.99 -35.84 79.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.457 -0.792 . . . . 10.0 110.031 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 59.3 mt -64.79 -41.92 95.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 10.0 111.074 179.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 46.6 m -61.38 -45.68 93.37 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.842 0.353 . . . . 10.0 110.806 179.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 1.1 p -73.53 -27.61 61.44 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-O 121.073 0.463 . . . . 10.0 109.877 179.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 13.9 tp -68.58 -30.64 69.44 Favored 'General case' 0 C--O 1.224 -0.278 0 N-CA-C 109.098 -0.705 . . . . 10.0 109.098 178.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 51.0 m -65.99 -29.53 69.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.58 -0.736 . . . . 10.0 109.548 178.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -70.18 -20.87 63.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.551 0.691 . . . . 10.0 109.213 178.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 363' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -91.22 -34.62 14.91 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.355 -0.839 . . . . 10.0 109.254 178.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -74.49 -38.89 62.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.609 -0.723 . . . . 10.0 112.519 -179.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -94.71 -76.49 0.03 OUTLIER Pre-proline 0 CA--C 1.536 0.429 0 N-CA-C 112.895 0.702 . . . . 10.0 112.895 -179.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.9 -53.15 3.43 Favored 'Trans proline' 0 C--N 1.359 1.104 0 C-N-CA 122.572 2.182 . . . . 10.0 113.72 -178.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 367' ' ' ALA . . . . . . . . . . . . . . . -59.37 -56.77 17.8 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.245 0.461 . . . . 10.0 112.245 -178.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 13.0 mt -58.27 -40.07 80.88 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 112.147 0.425 . . . . 10.0 112.147 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.81 -51.11 71.14 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 123.139 0.274 . . . . 10.0 110.294 179.41 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -64.78 -31.64 72.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.334 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 42.1 mt -65.48 -44.67 86.38 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.968 -0.753 . . . . 10.0 108.968 178.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 58.7 mtt180 -63.59 -43.62 96.4 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.96 -0.564 . . . . 10.0 109.697 178.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -66.25 -26.46 67.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.387 -0.824 . . . . 10.0 111.084 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -86.9 -33.74 12.07 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 121.132 -0.556 . . . . 10.0 111.94 179.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 73.5 mt -71.85 -37.18 70.28 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.684 0.253 . . . . 10.0 111.684 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 25.1 mt -50.47 -58.41 9.99 Favored Pre-proline 0 CA--C 1.537 0.476 0 N-CA-C 113.322 0.86 . . . . 10.0 113.322 -179.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -62.88 -26.65 74.58 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 122.068 1.845 . . . . 10.0 111.548 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 41.1 t -69.83 -46.78 73.09 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 N-CA-C 108.579 -0.897 . . . . 10.0 108.579 178.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 52.0 mt -63.16 -34.9 78.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.41 -0.814 . . . . 10.0 109.277 178.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -60.32 -48.4 81.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.677 -0.692 . . . . 10.0 109.894 178.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 1.2 p -66.55 -35.04 79.26 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 120.983 0.42 . . . . 10.0 109.932 179.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -64.82 -33.28 75.62 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-N 115.759 -0.655 . . . . 10.0 110.765 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -59.02 -43.48 91.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.086 0.47 . . . . 10.0 109.789 179.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 21.2 t -63.85 -41.57 92.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.757 -0.656 . . . . 10.0 109.538 179.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 4.2 m -65.1 -43.89 90.58 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.815 -0.629 . . . . 10.0 110.937 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -64.5 -49.7 70.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 10.0 111.095 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 95.3 mt -61.31 -44.68 96.8 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.056 -0.52 . . . . 10.0 112.365 -179.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 11.7 p -61.86 -40.79 96.6 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.61 -0.268 . . . . 10.0 111.058 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -60.51 -43.01 97.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.13 179.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 81.9 mt -59.31 -41.34 88.83 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.464 -0.789 . . . . 10.0 109.776 179.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -66.06 -45.63 80.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.559 -0.746 . . . . 10.0 110.128 179.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -60.16 -47.57 85.38 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.09 -0.504 . . . . 10.0 112.042 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -59.61 -43.54 93.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.693 0.282 . . . . 10.0 111.315 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 7.2 m -71.01 -31.98 68.63 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.344 0.498 . . . . 10.0 112.344 -179.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -79.12 -36.55 40.44 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.137 0.421 . . . . 10.0 112.137 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -91.92 -39.13 11.87 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 114.318 1.229 . . . . 10.0 114.318 -177.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 95.9 mt -105.16 16.35 25.93 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.86 0.689 . . . . 10.0 112.86 -177.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 45.4 t30 . . . . . 0 C--N 1.324 -0.529 0 CA-C-N 116.786 -0.188 . . . . 10.0 110.88 179.353 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 2.6 mm? . . . . . 0 CA--C 1.517 -0.293 0 CA-C-O 121.293 0.568 . . . . 10.0 109.872 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -115.76 28.05 8.9 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.244 -0.889 . . . . 10.0 109.76 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 92.7 mt -63.89 -32.58 74.15 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.792 -0.64 . . . . 10.0 111.175 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 23.0 mt -70.37 -34.45 72.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.944 0.402 . . . . 10.0 109.938 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -63.5 -53.86 45.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.63 -0.713 . . . . 10.0 110.737 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -66.05 -37.92 87.05 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.881 -0.599 . . . . 10.0 111.649 -179.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 17.2 t90 -62.59 -41.77 99.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.388 -0.369 . . . . 10.0 110.512 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -60.6 -31.84 70.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.288 -0.415 . . . . 10.0 110.577 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 2.0 m -65.48 -46.09 81.12 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.238 -0.652 . . . . 10.0 109.238 178.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 17.4 t -63.76 -37.58 80.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.852 -0.613 . . . . 10.0 109.629 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 27.3 m -62.37 -42.9 99.78 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.92 -0.582 . . . . 10.0 109.431 178.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 18.9 m -62.63 -41.47 99.03 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.833 -0.621 . . . . 10.0 109.703 178.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 16.8 m -61.31 -45.02 96.18 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 115.671 -0.695 . . . . 10.0 110.249 178.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -58.74 -45.03 90.61 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.196 -0.456 . . . . 10.0 109.899 178.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 4.6 m -60.67 -42.8 97.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.737 -0.665 . . . . 10.0 109.832 178.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 34.5 mmtt -62.42 -34.72 77.31 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.054 178.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 92.2 mt -66.48 -40.12 89.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.008 -0.542 . . . . 10.0 109.583 179.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 28.7 mtt180 -67.36 -34.93 78.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.62 179.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -65.74 -25.19 67.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 10.0 109.801 178.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -86.32 -53.53 4.96 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 108.722 -0.844 . . . . 10.0 108.722 178.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 72.1 mt -47.81 -38.42 15.84 Favored 'General case' 0 CA--C 1.522 -0.13 0 CA-C-N 115.352 -0.84 . . . . 10.0 112.578 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -53.1 -77.5 0.14 Allowed Glycine 0 CA--C 1.522 0.479 0 O-C-N 123.553 0.533 . . . . 10.0 112.339 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -61.62 -36.35 76.02 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.737 2.291 . . . . 10.0 112.056 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 4.9 t -56.14 -49.54 75.45 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.36 0 CA-C-N 116.552 -0.295 . . . . 10.0 111.559 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 22.9 p -65.48 -32.87 74.71 Favored 'General case' 0 C--O 1.226 -0.15 0 C-N-CA 120.893 -0.323 . . . . 10.0 111.652 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -64.59 -53.81 41.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.877 0.37 . . . . 10.0 110.132 179.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -70.2 -30.09 67.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.31 -0.405 . . . . 10.0 110.614 179.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -67.87 -41.18 83.24 Favored 'General case' 0 C--O 1.221 -0.412 0 N-CA-C 109.191 -0.67 . . . . 10.0 109.191 178.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 2.6 m0 -64.57 -42.96 95.32 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.086 -0.709 . . . . 10.0 109.086 178.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -64.71 -36.15 83.36 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.062 -0.718 . . . . 10.0 109.062 178.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -65.98 -42.53 89.71 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.642 -0.874 . . . . 10.0 108.642 177.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 85.6 mt -60.18 -37.96 81.78 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-N 115.486 -0.779 . . . . 10.0 108.951 178.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -62.46 -40.62 97.22 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 115.69 -0.687 . . . . 10.0 109.42 178.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -65.94 -38.38 88.49 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.695 -0.854 . . . . 10.0 108.695 178.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -67.51 -52.76 35.21 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.702 -0.681 . . . . 10.0 111.209 179.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 7.2 p -59.94 -49.92 75.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.593 0.235 . . . . 10.0 111.068 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -64.94 -37.52 87.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.781 0.324 . . . . 10.0 110.975 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -66.61 -47.14 70.65 Favored Glycine 0 C--O 1.227 -0.303 0 N-CA-C 110.889 -0.884 . . . . 10.0 110.889 178.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 90.8 mt -64.65 -35.47 81.14 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 109.95 -0.389 . . . . 10.0 109.95 179.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 78.3 mtt180 -64.6 -30.74 71.77 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.193 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -64.41 -41.23 96.74 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.601 -0.518 . . . . 10.0 109.601 179.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -77.74 -37.13 49.95 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.119 -0.697 . . . . 10.0 109.119 178.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 57.9 mmm -61.5 -46.02 91.77 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 115.511 -0.768 . . . . 10.0 112.333 -179.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 2.3 p -57.98 -46.62 84.87 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-O 121.072 0.463 . . . . 10.0 110.307 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -66.67 -44.22 82.41 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.668 -0.696 . . . . 10.0 110.203 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -61.4 -44.9 96.35 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.819 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 56.1 mt -67.08 -43.07 83.55 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.199 0.444 . . . . 10.0 112.199 -179.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 446' ' ' GLU . . . . . 0.436 ' CD ' ' HZ1' ' D' ' 449' ' ' LYS . 75.6 mm-40 -71.82 -45.95 59.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.025 0.441 . . . . 10.0 111.251 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 447' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.73 -28.19 67.44 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.991 -0.55 . . . . 10.0 111.614 -179.6 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -65.09 -28.17 44.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 C-N-CA 120.976 -0.29 . . . . 10.0 110.71 179.355 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 449' ' ' LYS . . . . . 0.436 ' HZ1' ' CD ' ' D' ' 446' ' ' GLU . 89.6 mttt -67.19 -33.67 75.89 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.006 -0.738 . . . . 10.0 109.006 178.583 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -87.5 8.26 25.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.237 -0.892 . . . . 10.0 110.333 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 35.6 mmtm -118.56 -52.24 2.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.821 178.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 78.5 t -60.45 -43.87 95.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.917 -0.583 . . . . 10.0 111.13 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -55.31 -61.53 5.88 Favored Pre-proline 0 CA--C 1.54 0.561 0 N-CA-C 112.153 0.427 . . . . 10.0 112.153 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -67.44 -30.34 36.33 Favored 'Trans proline' 0 C--N 1.355 0.918 0 C-N-CA 122.145 1.897 . . . . 10.0 112.758 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -67.02 -49.83 64.01 Favored 'General case' 0 CA--C 1.521 -0.143 0 N-CA-C 109.761 -0.459 . . . . 10.0 109.761 179.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 21.6 mt -66.96 -33.83 76.43 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.542 -0.54 . . . . 10.0 109.542 178.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -62.03 -55.32 30.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.767 -0.651 . . . . 10.0 110.009 178.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -64.25 -35.57 81.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.475 179.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.56 -47.86 77.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.07 -0.513 . . . . 10.0 109.95 178.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -61.99 -37.67 85.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.092 -0.504 . . . . 10.0 110.1 179.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -62.73 -42.68 99.78 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.995 -0.548 . . . . 10.0 109.546 178.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.86 -33.92 74.6 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.663 -0.699 . . . . 10.0 109.52 178.473 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 38.9 m0 -66.26 -42.18 88.88 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 109.301 -0.629 . . . . 10.0 109.301 178.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -63.03 -47.5 82.74 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 108.975 -0.75 . . . . 10.0 108.975 178.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 465' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -54.88 -52.17 63.67 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.617 -0.719 . . . . 10.0 109.74 178.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -62.79 -41.54 99.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.431 -0.804 . . . . 10.0 111.231 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 45.1 ttm -61.31 -44.59 96.96 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.817 0.341 . . . . 10.0 110.439 179.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -65.81 -39.13 90.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.951 -0.568 . . . . 10.0 109.614 178.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 469' ' ' LEU . . . . . . . . . . . . . 84.7 mt -64.11 -41.66 97.18 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.661 -0.7 . . . . 10.0 109.469 178.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 11.6 m-30 -68.16 -29.35 68.21 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 110.042 -0.355 . . . . 10.0 110.042 178.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -72.61 -16.97 61.72 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.466 -0.568 . . . . 10.0 109.466 177.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -112.82 6.01 17.78 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.027 179.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 473' ' ' LYS . . . . . . . . . . . . . 47.7 mttp -125.04 -65.78 1.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.78 -0.646 . . . . 10.0 110.436 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 60.8 t -63.25 -40.76 90.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.028 -0.533 . . . . 10.0 111.091 -179.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -57.91 -59.89 11.73 Favored Pre-proline 0 CA--C 1.531 0.247 0 N-CA-C 112.249 0.462 . . . . 10.0 112.249 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -63.15 -36.5 57.8 Favored 'Trans proline' 0 C--N 1.354 0.86 0 C-N-CA 121.574 1.516 . . . . 10.0 110.824 178.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 11.1 mt -60.97 -37.68 83.26 Favored 'General case' 0 C--O 1.223 -0.306 0 N-CA-C 109.617 -0.512 . . . . 10.0 109.617 178.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 24.3 mtt180 -60.09 -36.02 76.47 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 109.418 -0.586 . . . . 10.0 109.418 178.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -73.53 -43.27 60.39 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.661 -0.7 . . . . 10.0 110.18 179.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.74 -43.33 96.79 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.642 -0.503 . . . . 10.0 109.642 178.434 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 66.2 mt -68.94 -30.95 69.5 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-N 115.948 -0.569 . . . . 10.0 109.765 178.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -64.4 -49.47 71.43 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.125 -0.694 . . . . 10.0 109.125 178.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -66.1 -41.44 90.59 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.944 -0.571 . . . . 10.0 109.53 178.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -62.2 -43.48 99.05 Favored Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 111.512 -0.635 . . . . 10.0 111.512 179.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -68.08 -39.54 82.9 Favored 'General case' 0 CA--C 1.517 -0.312 0 N-CA-C 109.907 -0.405 . . . . 10.0 109.907 179.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 -64.6 -42.82 95.32 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 109.641 -0.503 . . . . 10.0 109.641 178.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -65.52 -43.45 90.02 Favored 'General case' 0 C--O 1.221 -0.412 0 N-CA-C 109.235 -0.654 . . . . 10.0 109.235 178.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -63.29 -39.0 93.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.099 178.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 18.8 mt -62.48 -45.46 92.92 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.023 -0.732 . . . . 10.0 109.023 178.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 16.7 t-160 -62.27 -48.49 79.7 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.992 -0.744 . . . . 10.0 108.992 178.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 491' ' ' GLU . . . . . 0.462 ' CD ' ' HZ3' ' A' ' 290' ' ' LYS . 53.8 mt-10 -55.07 -47.12 75.31 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.297 179.036 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 12.9 mt -68.14 -40.94 82.31 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 116.08 -0.509 . . . . 10.0 111.513 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -63.58 -31.62 72.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.815 0.341 . . . . 10.0 111.334 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -76.48 1.86 15.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.246 0.546 . . . . 10.0 110.307 178.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 495' ' ' LYS . . . . . . . . . . . . . 27.5 mttp -120.55 -38.34 2.89 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.547 -0.751 . . . . 10.0 109.54 178.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 96.1 mt -62.84 -22.87 66.98 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 115.963 -0.562 . . . . 10.0 111.433 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 497' ' ' SER . . . . . . . . . . . . . 19.8 m -83.17 -63.22 0.26 Allowed Pre-proline 0 CA--C 1.541 0.6 0 CA-C-N 116.62 -0.264 . . . . 10.0 111.467 178.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 498' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -63.38 -48.75 5.47 Favored 'Trans proline' 0 C--N 1.357 0.976 0 C-N-CA 122.092 1.861 . . . . 10.0 111.971 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 499' ' ' LEU . . . . . . . . . . . . . 46.1 mt -76.22 -29.36 57.55 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 116.714 -0.221 . . . . 10.0 110.765 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -64.49 -50.11 61.17 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.577 -0.82 . . . . 10.0 111.113 179.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -70.68 -31.23 68.05 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 178.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 502' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -65.62 -47.39 75.8 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.627 -0.715 . . . . 10.0 109.895 178.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 79.6 mmm -60.25 -37.64 81.02 Favored 'General case' 0 CA--C 1.52 -0.2 0 N-CA-C 109.575 -0.528 . . . . 10.0 109.575 178.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -68.29 -40.35 81.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.615 178.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -66.58 -36.39 82.51 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.73 -0.47 . . . . 10.0 109.73 178.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 506' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -63.86 -48.33 77.17 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 107.333 -1.358 . . . . 10.0 107.333 177.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -58.57 -38.27 77.53 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 114.972 -1.013 . . . . 10.0 109.803 178.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 508' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -59.4 -46.58 88.3 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 109.246 -0.65 . . . . 10.0 109.246 178.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -63.33 -38.21 90.26 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.455 -0.793 . . . . 10.0 111.191 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 84.4 m-70 -72.31 -45.38 60.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.456 -0.338 . . . . 10.0 110.257 179.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 39.8 t -63.07 -42.06 95.19 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.084 179.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -66.88 -35.35 79.82 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-N 116.075 -0.511 . . . . 10.0 109.909 179.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -62.55 -43.15 99.51 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.82 -0.807 . . . . 10.0 108.82 178.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 514' ' ' LEU . . . . . . . . . . . . . 83.4 mt -61.25 -25.31 67.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.708 -0.678 . . . . 10.0 110.471 179.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 515' ' ' ARG . . . . . . . . . . . . . 78.0 mtt180 -68.57 -30.01 68.69 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.586 -0.524 . . . . 10.0 109.586 178.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.78 -17.02 17.89 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.403 179.368 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 33.8 m170 -97.18 -78.31 0.48 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.034 -0.53 . . . . 10.0 111.53 -179.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 39.2 mt -60.15 -45.29 93.56 Favored 'General case' 0 C--O 1.232 0.147 0 N-CA-C 113.586 0.958 . . . . 10.0 113.586 -178.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 519' ' ' ALA . . . . . . . . . . . . . . . -52.84 -61.6 4.52 Favored Pre-proline 0 CA--C 1.535 0.4 0 N-CA-C 112.893 0.701 . . . . 10.0 112.893 -178.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 520' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -65.6 -40.07 19.12 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 121.782 1.655 . . . . 10.0 111.515 179.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -59.05 -40.64 85.73 Favored 'General case' 0 C--O 1.226 -0.15 0 CA-C-N 116.501 -0.318 . . . . 10.0 111.694 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 78.0 p -62.7 -36.01 81.55 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.919 -0.312 . . . . 10.0 110.875 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -72.3 -39.81 67.98 Favored 'General case' 0 CA--C 1.52 -0.176 0 N-CA-C 109.879 -0.415 . . . . 10.0 109.879 178.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -65.62 -32.89 74.7 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 108.66 -0.867 . . . . 10.0 108.66 178.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.71 -31.35 66.64 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 114.983 -1.008 . . . . 10.0 109.039 177.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 526' ' ' ARG . . . . . . . . . . . . . 64.2 mtt180 -61.96 -34.66 76.54 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 116.125 -0.488 . . . . 10.0 109.744 178.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -64.27 -40.78 96.68 Favored 'General case' 0 C--N 1.333 -0.109 0 N-CA-C 109.004 -0.739 . . . . 10.0 109.004 178.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 528' ' ' ARG . . . . . . . . . . . . . 67.3 mtt180 -68.61 -42.95 77.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.248 -0.887 . . . . 10.0 108.93 178.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 96.5 mt -62.57 -40.06 95.65 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-N 115.712 -0.676 . . . . 10.0 109.898 178.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -62.99 -44.46 95.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.887 -0.597 . . . . 10.0 109.812 178.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -63.53 -42.31 98.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.025 -0.534 . . . . 10.0 109.668 178.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 18.0 ttm180 -65.47 -42.89 91.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.747 -0.66 . . . . 10.0 110.038 179.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 58.9 mt -66.93 -36.39 82.15 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.696 -0.483 . . . . 10.0 109.696 179.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -61.94 -47.34 85.31 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.633 -0.877 . . . . 10.0 108.633 178.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -63.72 -40.85 97.76 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.462 -0.79 . . . . 10.0 109.278 178.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 13.3 mt -60.67 -35.6 76.64 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.804 -0.635 . . . . 10.0 111.056 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -78.03 -43.17 30.16 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.957 0.408 . . . . 10.0 110.968 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -65.36 -50.32 66.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.537 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -73.23 -36.65 66.48 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.734 -0.469 . . . . 10.0 109.734 179.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -63.8 -43.9 97.01 Favored Glycine 0 N--CA 1.445 -0.715 0 CA-C-N 115.586 -0.734 . . . . 10.0 111.546 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -61.04 -39.19 96.73 Favored Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 110.594 -1.003 . . . . 10.0 110.594 178.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -67.5 -42.69 82.46 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 109.241 -0.651 . . . . 10.0 109.241 178.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 49.2 mtt180 -62.79 -41.84 99.45 Favored 'General case' 0 C--O 1.222 -0.381 0 CA-C-N 115.762 -0.654 . . . . 10.0 109.859 178.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 72.1 mt -59.74 -41.66 91.41 Favored 'General case' 0 CA--C 1.519 -0.227 0 N-CA-C 109.756 -0.461 . . . . 10.0 109.756 178.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -62.99 -47.0 85.01 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.771 -0.65 . . . . 10.0 109.345 178.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -61.88 -45.19 94.83 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.794 178.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -61.39 -43.7 98.41 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.41 -0.359 . . . . 10.0 110.735 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -66.4 -39.44 89.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.09 179.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -66.61 -45.06 80.37 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.611 -0.515 . . . . 10.0 109.611 179.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.79 -25.79 63.96 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.967 -0.561 . . . . 10.0 110.52 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -65.62 -42.45 91.55 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.759 -0.46 . . . . 10.0 109.759 178.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -65.45 -42.74 92.05 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 108.991 -0.744 . . . . 10.0 108.991 178.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -65.43 -43.0 91.86 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.859 -0.61 . . . . 10.0 109.974 179.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 27.2 t60 -60.19 -45.61 92.55 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 108.836 -0.802 . . . . 10.0 108.836 178.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 26.3 tp -64.29 -38.69 91.93 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 115.81 -0.632 . . . . 10.0 109.923 178.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 54.6 m -60.29 -44.38 95.43 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.414 179.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.09 -33.53 70.28 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.921 0.391 . . . . 10.0 110.712 178.728 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 48.5 mt -64.15 -51.64 62.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.118 -0.492 . . . . 10.0 109.976 179.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 4.9 m -66.3 -36.34 82.69 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 109.621 -0.511 . . . . 10.0 109.621 179.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -59.4 -35.14 73.39 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-N 115.586 -0.734 . . . . 10.0 110.23 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.21 -40.27 12.98 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.902 -0.59 . . . . 10.0 111.234 179.672 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -52.77 -44.51 66.59 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.57 0.582 . . . . 10.0 112.57 -179.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -55.34 -63.59 2.92 Favored Pre-proline 0 CA--C 1.537 0.453 0 N-CA-C 112.813 0.672 . . . . 10.0 112.813 -179.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.65 -34.46 14.9 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 122.055 1.836 . . . . 10.0 112.969 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -63.88 -55.13 25.07 Favored 'General case' 0 CA--C 1.522 -0.11 0 C-N-CA 121.209 -0.196 . . . . 10.0 111.147 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 46.4 mt -59.06 -41.35 87.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.657 0.265 . . . . 10.0 110.794 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -64.69 -48.22 75.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.265 -0.425 . . . . 10.0 111.204 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.5 -37.87 89.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.727 0.299 . . . . 10.0 110.486 179.546 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 59.5 mt -62.87 -43.37 98.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.052 -0.522 . . . . 10.0 109.616 178.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 64.1 mtt180 -66.88 -49.62 65.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.22 -0.445 . . . . 10.0 110.522 178.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -62.93 -21.45 66.07 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.776 -0.647 . . . . 10.0 111.488 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -92.12 -43.44 4.38 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.68 -0.772 . . . . 10.0 111.199 178.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 21.4 mt -65.06 -37.38 87.38 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.276 0.472 . . . . 10.0 112.276 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 56.1 mt -51.62 -62.57 2.85 Favored Pre-proline 0 CA--C 1.535 0.386 0 N-CA-C 112.907 0.706 . . . . 10.0 112.907 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.51 -34.48 33.44 Favored 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 121.706 1.604 . . . . 10.0 111.909 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 24.9 t -64.77 -45.51 94.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.603 0.239 . . . . 10.0 110.656 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 63.1 mt -65.62 -40.92 93.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.494 -0.321 . . . . 10.0 110.584 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -61.79 -41.27 97.53 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.967 -0.382 . . . . 10.0 109.967 178.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 16.6 m -68.14 -38.55 82.3 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.892 -0.595 . . . . 10.0 109.707 178.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -60.87 -42.39 97.81 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.033 -0.531 . . . . 10.0 109.833 178.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -59.06 -37.38 76.91 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.231 178.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 52.3 t -64.42 -47.4 89.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 109.544 -0.539 . . . . 10.0 109.544 178.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 10.7 p -66.66 -30.82 71.17 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.987 179.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -70.74 -44.56 66.54 Favored 'General case' 0 CA--C 1.521 -0.146 0 N-CA-C 109.66 -0.496 . . . . 10.0 109.66 178.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 73.8 mt -59.04 -47.89 83.57 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.629 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 1.3 p -65.43 -33.59 76.3 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.542 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -68.14 -47.75 67.24 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.679 -0.489 . . . . 10.0 109.679 178.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 99.2 mt -58.93 -47.59 84.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.859 -0.61 . . . . 10.0 110.589 179.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -56.89 -47.58 80.19 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.414 -0.357 . . . . 10.0 110.569 179.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -63.38 -46.14 87.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.92 -0.582 . . . . 10.0 111.161 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -60.62 -38.31 84.34 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.323 -0.399 . . . . 10.0 110.97 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 28.7 m -63.94 -31.02 72.06 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.704 179.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -76.67 -47.46 22.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.559 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 5.2 mptt -70.34 -33.5 71.56 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.887 -0.597 . . . . 10.0 111.962 -179.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 94.6 mt -103.73 39.74 1.56 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.038 0.447 . . . . 10.0 110.77 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 . . . . . 0 C--N 1.321 -0.638 0 CA-C-N 116.399 -0.364 . . . . 10.0 111.064 179.785 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 2.5 m . . . . . 0 N--CA 1.456 -0.175 0 CA-C-O 120.761 0.315 . . . . 10.0 110.344 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.97 143.64 32.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.277 -0.42 . . . . 10.0 110.379 179.62 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -101.6 134.05 45.33 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.554 -0.294 . . . . 10.0 110.519 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -133.11 129.75 38.35 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.376 -0.375 . . . . 10.0 110.992 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 54.7 mttm -97.57 108.02 20.64 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.412 -0.358 . . . . 10.0 110.177 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 62.0 mt -107.85 133.9 51.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.262 -0.427 . . . . 10.0 110.899 -178.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 65.4 t -121.13 122.49 67.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.094 0.473 . . . . 10.0 110.802 179.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 41.5 t -89.85 109.57 20.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 109.395 -0.594 . . . . 10.0 109.395 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 4.7 m -109.18 169.1 3.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.091 -0.504 . . . . 10.0 111.258 -179.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 138.08 -176.57 20.63 Favored Glycine 0 N--CA 1.444 -0.816 0 N-CA-C 110.941 -0.864 . . . . 10.0 110.941 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.45 168.26 17.63 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.754 0.277 . . . . 10.0 110.681 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -80.18 152.59 29.1 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.036 0.446 . . . . 10.0 111.333 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 75.86 11.65 84.48 Favored Glycine 0 CA--C 1.519 0.341 0 CA-C-N 115.729 -0.669 . . . . 10.0 113.805 179.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 33.3 m -84.33 -17.09 10.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 117.228 0.514 . . . . 10.0 111.731 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 97.83 21.51 18.46 Favored Glycine 0 N--CA 1.448 -0.528 0 CA-C-N 115.936 -0.575 . . . . 10.0 111.802 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 10.6 ptmm? -66.23 -38.64 88.41 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.728 -0.236 . . . . 10.0 111.197 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.18 -38.95 75.48 Favored 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 109.236 -0.653 . . . . 10.0 109.236 179.493 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.47 -45.09 94.97 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.381 -0.827 . . . . 10.0 109.896 179.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 36.4 mt -60.03 -43.97 94.95 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.17 179.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 21.8 m -63.9 -51.15 65.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.841 179.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 85.4 mt -62.22 -33.5 59.1 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-N 116.484 -0.325 . . . . 10.0 111.535 -179.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -63.39 -30.52 71.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.475 -0.33 . . . . 10.0 111.758 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 6.2 tp -92.69 -39.19 11.41 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.121 0.486 . . . . 10.0 111.195 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 49.3 mm -70.88 -51.61 34.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.95 -0.568 . . . . 10.0 112.385 -179.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -105.4 -9.53 17.5 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.862 0.69 . . . . 10.0 112.862 -178.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 68.93 33.81 3.4 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 113.354 0.872 . . . . 10.0 113.354 178.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 16.8 p80 -145.89 155.07 42.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.625 0.25 . . . . 10.0 111.158 178.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -105.12 135.95 45.52 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.055 0.455 . . . . 10.0 111.831 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 1.6 m -101.22 114.89 41.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.828 -0.624 . . . . 10.0 110.241 178.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -76.0 -30.56 58.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.993 -179.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -78.51 155.68 29.66 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.374 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -88.82 133.59 34.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.474 -0.33 . . . . 10.0 110.372 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -126.5 109.88 23.24 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-O 120.636 0.255 . . . . 10.0 111.528 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo -66.94 118.73 5.79 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.881 2.387 . . . . 10.0 111.262 179.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 88.9 m -94.05 142.28 27.57 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.897 -0.592 . . . . 10.0 111.765 -178.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 48.1 mm -105.84 -45.29 8.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 107.915 -1.143 . . . . 10.0 107.915 178.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -178.33 99.17 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 114.719 -1.128 . . . . 10.0 108.438 179.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -112.73 128.04 56.3 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 111.983 0.364 . . . . 10.0 111.983 -178.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -125.5 116.62 22.08 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.144 178.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -119.51 147.15 44.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.421 -0.354 . . . . 10.0 111.464 -179.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 2.3 mpp_? -109.5 135.02 51.19 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.731 0.3 . . . . 10.0 111.048 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 37.5 tptt -139.05 118.94 13.25 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.338 179.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -108.26 113.94 27.43 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.883 0.373 . . . . 10.0 110.588 178.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 3.9 m -135.43 176.52 8.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.766 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 22.0 t -101.49 95.43 3.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.24 -0.436 . . . . 10.0 109.839 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 46.6 mt -97.23 116.39 39.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.876 -179.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 62.74 15.86 8.49 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.176 -0.92 . . . . 10.0 111.928 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.16 -7.85 54.96 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.641 -0.79 . . . . 10.0 111.863 -179.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -106.17 121.84 44.98 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.708 0.289 . . . . 10.0 110.503 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.51 122.12 17.31 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.959 -0.756 . . . . 10.0 108.959 178.646 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 11.6 m -126.94 136.36 52.17 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.34 0.496 . . . . 10.0 112.34 -178.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 55.2 tp -98.46 101.87 13.44 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 107.751 -1.203 . . . . 10.0 107.751 177.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 29.4 mt -92.31 126.83 37.56 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 112.799 0.666 . . . . 10.0 112.799 -177.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -105.49 99.41 9.02 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 107.18 -1.415 . . . . 10.0 107.18 176.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 4.2 mp -90.58 119.96 38.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.977 -0.556 . . . . 10.0 111.537 -178.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 52.8 tp -108.44 117.21 33.56 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.623 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -103.64 112.14 24.93 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.028 -0.533 . . . . 10.0 111.418 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -111.99 139.24 47.66 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.809 -0.812 . . . . 10.0 108.809 178.125 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -76.15 135.32 39.8 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.077 0.465 . . . . 10.0 111.595 -178.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -94.24 56.09 2.09 Favored Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 110.857 -0.897 . . . . 10.0 110.857 179.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -96.0 16.19 18.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.753 -0.223 . . . . 10.0 111.501 -178.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 64.34 -175.27 0.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.88 -0.6 . . . . 10.0 111.331 179.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 71.35 -9.05 0.94 Allowed 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.84 0.681 . . . . 10.0 112.84 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -95.04 45.8 1.11 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.858 0.361 . . . . 10.0 111.099 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.89 -36.37 81.09 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.041 -0.527 . . . . 10.0 111.644 -179.703 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.33 -32.45 18.41 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 121.077 -0.249 . . . . 10.0 111.322 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 27.6 ttt -71.53 -33.78 69.47 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.21 -0.45 . . . . 10.0 111.478 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -59.05 -39.05 80.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.788 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.73 -25.13 67.8 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.371 -0.831 . . . . 10.0 111.777 -179.116 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -69.71 -71.13 0.24 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.983 0.734 . . . . 10.0 112.983 -178.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 51.8 p90 -62.67 -28.73 70.13 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 113.922 1.082 . . . . 10.0 113.922 -177.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 49.8 mtt -69.61 -25.76 64.11 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.006 0.431 . . . . 10.0 111.795 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 16.1 ttm180 -74.68 -37.71 62.6 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.748 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.07 -32.47 22.82 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.205 0.446 . . . . 10.0 112.205 -179.253 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.71 136.0 49.15 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 121.221 -0.514 . . . . 10.0 113.342 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -96.34 -50.46 4.77 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.25 -0.648 . . . . 10.0 109.25 179.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -112.05 136.5 13.57 Favored Glycine 0 N--CA 1.446 -0.648 0 N-CA-C 110.927 -0.869 . . . . 10.0 110.927 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -116.56 130.95 57.04 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.278 0.561 . . . . 10.0 112.125 -178.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 12.5 tp -106.36 100.36 9.9 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.459 -0.791 . . . . 10.0 109.254 179.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 3.7 m -80.35 93.17 5.9 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.253 -0.431 . . . . 10.0 110.641 -179.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 52.5 t -95.45 126.72 47.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.008 -0.542 . . . . 10.0 111.512 -178.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 24.3 p90 -137.12 149.03 47.06 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.676 -0.693 . . . . 10.0 109.827 179.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -88.27 126.24 35.07 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.02 -0.733 . . . . 10.0 109.02 179.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 20.0 pt -71.09 -6.35 7.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 112.546 0.572 . . . . 10.0 112.546 -179.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -97.65 2.77 50.19 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.163 0.506 . . . . 10.0 110.112 178.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 38.9 t-20 -135.54 107.53 7.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.681 -0.69 . . . . 10.0 110.019 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -61.07 -33.01 72.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.882 -0.599 . . . . 10.0 112.067 -179.506 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -56.89 -43.76 81.65 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.969 0.359 . . . . 10.0 111.969 -179.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.89 -34.31 77.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.864 0.364 . . . . 10.0 110.829 179.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -72.31 -41.52 66.49 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.514 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -67.4 -33.84 76.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.014 -0.539 . . . . 10.0 110.742 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.74 -16.49 63.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.836 -0.62 . . . . 10.0 112.118 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 34.1 mm -59.5 -43.31 90.42 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-O 120.807 0.337 . . . . 10.0 110.971 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 35.2 t60 -68.9 -35.52 76.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.444 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -65.67 -47.45 75.46 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.703 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -64.58 -30.85 71.88 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.595 179.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 42.8 ttt-85 -63.78 -49.19 73.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.846 -0.615 . . . . 10.0 110.295 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -60.8 -37.4 81.82 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.892 -0.595 . . . . 10.0 110.26 179.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 36.4 tp60 -59.21 -55.11 39.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.44 -0.8 . . . . 10.0 110.273 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 56.4 mt -57.66 -41.06 78.49 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 CA-C-N 116.205 -0.452 . . . . 10.0 111.49 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? -61.7 -31.47 71.61 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.992 -0.549 . . . . 10.0 112.231 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? -89.13 -35.37 16.31 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.719 0.295 . . . . 10.0 111.081 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 70.1 t -64.41 -49.01 82.77 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-N 116.434 -0.348 . . . . 10.0 111.717 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -90.1 -12.37 38.55 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.49 -0.323 . . . . 10.0 111.638 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 37.4 t70 58.82 56.27 4.19 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.786 0.803 . . . . 10.0 111.168 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 41.2 t -153.71 146.39 24.22 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.554 -0.748 . . . . 10.0 110.055 -179.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -96.59 -3.74 42.42 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.174 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -127.9 107.49 9.9 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.994 -0.548 . . . . 10.0 111.03 -179.688 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 66.2 t -142.56 131.75 11.93 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.162 -0.472 . . . . 10.0 109.75 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -59.85 106.78 0.35 Allowed 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.823 2.349 . . . . 10.0 111.639 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 58.5 mtm -136.65 141.27 43.18 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.065 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 79.4 t -124.27 133.78 68.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.103 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 17.8 tp -85.77 112.58 21.2 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.42 -0.585 . . . . 10.0 109.42 179.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 53.5 t -112.78 114.97 48.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 112.365 0.506 . . . . 10.0 112.365 -178.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -98.26 111.56 4.27 Favored Glycine 0 N--CA 1.448 -0.561 0 N-CA-C 110.084 -1.206 . . . . 10.0 110.084 178.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -97.07 166.03 11.78 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.842 0.321 . . . . 10.0 111.685 -178.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 89.8 mttt 71.52 42.45 0.67 Allowed 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.568 -0.742 . . . . 10.0 112.79 179.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 65.5 m -75.61 -15.63 60.32 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.991 -0.55 . . . . 10.0 110.475 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -72.61 -33.65 66.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.088 178.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 75.7 mt -73.04 116.23 48.49 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.375 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -72.7 175.15 10.67 Favored 'Trans proline' 0 C--O 1.235 0.356 0 C-N-CA 122.694 2.263 . . . . 10.0 112.19 -179.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 5.5 m 60.5 39.94 17.61 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.958 -0.564 . . . . 10.0 110.817 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 10.2 ptt180 -65.61 138.19 57.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.616 -0.72 . . . . 10.0 111.937 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.71 -37.62 35.25 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.935 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 57.5 t -90.38 113.59 26.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.131 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.18 147.32 42.68 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.607 -179.689 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 3.9 m -62.5 -45.84 91.18 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.255 -0.429 . . . . 10.0 112.109 -178.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 18.5 pttm -63.58 -39.36 94.19 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.732 0.641 . . . . 10.0 112.732 -178.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -68.93 -28.5 66.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.801 0.334 . . . . 10.0 111.433 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -82.15 -39.05 23.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.956 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -69.91 -43.34 71.89 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.056 -0.52 . . . . 10.0 111.89 -179.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -63.92 -31.12 72.2 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.238 0.542 . . . . 10.0 110.592 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 14.1 tp -66.87 -42.59 85.37 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.801 -0.636 . . . . 10.0 109.356 178.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.38 -33.5 75.86 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.485 -0.78 . . . . 10.0 109.729 179.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 2.7 ttp180 -61.43 -40.37 94.19 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.732 -0.667 . . . . 10.0 110.026 178.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 32.6 t -70.63 -34.89 72.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.295 179.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 21.7 m-30 -72.12 -38.16 69.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.979 -0.555 . . . . 10.0 111.124 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 100.74 28.76 6.85 Favored Glycine 0 N--CA 1.449 -0.463 0 N-CA-C 111.104 -0.798 . . . . 10.0 111.104 -179.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 32.2 pt -129.27 163.9 43.05 Favored Pre-proline 0 C--O 1.234 0.271 0 CA-C-N 115.502 -0.349 . . . . 10.0 110.172 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -91.46 144.21 3.15 Favored 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 122.469 2.113 . . . . 10.0 112.667 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -112.16 133.25 54.41 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.194 -0.669 . . . . 10.0 109.194 178.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 57.1 mt -130.87 136.58 57.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.697 0.284 . . . . 10.0 111.222 -179.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -86.49 127.24 34.85 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 108.648 -0.871 . . . . 10.0 108.648 178.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 72.1 p -134.22 167.08 21.34 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.653 0.739 . . . . 10.0 112.213 -178.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -163.19 109.85 1.17 Allowed 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.97 -1.013 . . . . 10.0 108.454 177.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -63.82 -35.9 82.14 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.021 -0.536 . . . . 10.0 111.137 -178.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -63.09 -32.7 74.14 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.272 -0.422 . . . . 10.0 111.792 -179.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 1.1 m -101.43 -6.16 24.37 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.966 0.358 . . . . 10.0 111.966 -179.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 12.8 tpt180 61.91 34.96 16.59 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 122.131 0.967 . . . . 10.0 110.171 -179.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -107.17 132.93 52.49 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.872 -0.604 . . . . 10.0 111.069 -179.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 79.16 -5.61 58.89 Favored Glycine 0 N--CA 1.452 -0.261 0 CA-C-N 115.955 -0.566 . . . . 10.0 113.721 178.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 28.8 t -61.14 -55.75 22.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.903 0.382 . . . . 10.0 110.829 -179.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -64.15 -35.57 81.2 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.998 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -63.03 -53.26 56.59 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.995 -0.548 . . . . 10.0 111.514 -179.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -57.69 -46.79 83.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.943 -0.571 . . . . 10.0 112.036 -179.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -62.65 -47.9 81.68 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 112.198 0.444 . . . . 10.0 112.198 -179.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -63.69 -46.64 84.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.056 0.455 . . . . 10.0 111.113 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 91.1 m -59.63 -38.28 80.9 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 113.073 0.768 . . . . 10.0 113.073 -179.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 24.0 tp -60.93 -37.08 81.04 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.948 0.404 . . . . 10.0 110.913 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 49.0 t -69.26 -35.62 68.64 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 CA-C-N 115.898 -0.592 . . . . 10.0 109.837 179.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -62.3 -40.23 95.61 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.903 -0.59 . . . . 10.0 110.509 179.183 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -67.08 -34.22 77.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.047 -0.524 . . . . 10.0 111.18 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 73.9 mt -64.68 -46.17 93.12 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.154 0 N-CA-C 109.692 -0.484 . . . . 10.0 109.692 179.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 49.9 mtt85 -64.55 -40.02 94.82 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.466 -0.568 . . . . 10.0 109.466 178.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt . . . . . 0 C--N 1.332 -0.174 0 CA-C-N 115.11 -0.95 . . . . 10.0 110.776 179.701 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 13.9 m . . . . . 0 CA--C 1.531 0.214 0 CA-C-O 120.635 0.255 . . . . 10.0 111.126 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 2.2 m -78.11 128.74 34.27 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 110.117 -0.327 . . . . 10.0 110.117 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -87.96 143.11 27.28 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.38 -0.373 . . . . 10.0 111.379 -179.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -137.09 106.68 6.15 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.514 -0.551 . . . . 10.0 109.514 179.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -88.46 113.22 23.82 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.887 0.375 . . . . 10.0 110.316 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -120.2 126.8 51.53 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.296 -0.411 . . . . 10.0 111.089 -177.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 97.9 t -107.19 124.43 63.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 109.649 -0.5 . . . . 10.0 109.649 179.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 2.9 t -89.32 118.76 35.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.172 0.51 . . . . 10.0 109.687 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 16.2 m -117.39 159.41 17.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.305 -0.407 . . . . 10.0 111.302 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.62 177.27 34.55 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 110.843 -0.903 . . . . 10.0 110.843 -179.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.01 -168.15 1.69 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.905 0.383 . . . . 10.0 111.492 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -81.4 132.81 35.34 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.256 0.55 . . . . 10.0 112.457 -179.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 65.13 35.24 91.49 Favored Glycine 0 CA--C 1.517 0.194 0 CA-C-N 115.446 -0.797 . . . . 10.0 114.657 178.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 29.6 m -93.2 -8.35 10.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 120.871 0.367 . . . . 10.0 111.686 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 93.65 23.01 24.73 Favored Glycine 0 N--CA 1.452 -0.248 0 N-CA-C 110.929 -0.868 . . . . 10.0 110.929 -178.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -60.72 -36.83 79.84 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.073 -0.564 . . . . 10.0 110.897 -179.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 31.2 m -91.79 -33.02 15.15 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.211 -0.449 . . . . 10.0 111.364 -179.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.15 -46.68 85.26 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.639 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 32.2 mt -65.04 -47.41 77.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.695 179.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 23.6 m -58.8 -45.33 90.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.991 -0.55 . . . . 10.0 111.979 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 91.9 mt -65.12 -32.21 57.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.818 0.342 . . . . 10.0 110.874 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -68.52 -21.06 64.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.444 -0.344 . . . . 10.0 111.417 179.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 4.5 tp -92.72 -36.31 12.99 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.149 0.5 . . . . 10.0 110.417 179.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 50.2 mm -82.58 -68.9 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.073 -0.512 . . . . 10.0 111.36 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 -78.18 -25.9 47.36 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.064 -0.516 . . . . 10.0 111.251 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 48.2 m-80 73.88 38.47 0.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.33 -0.85 . . . . 10.0 112.895 179.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 23.9 p80 -148.07 154.25 39.97 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.123 -0.49 . . . . 10.0 110.306 178.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -95.72 134.31 38.8 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.999 0.428 . . . . 10.0 111.609 -178.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 2.5 m -102.51 113.79 40.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.842 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -81.85 -18.61 43.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.109 0.48 . . . . 10.0 110.572 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -83.92 125.91 32.48 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.823 -0.626 . . . . 10.0 109.527 179.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -66.44 118.87 10.69 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.255 0.55 . . . . 10.0 111.419 -179.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -115.81 105.91 50.76 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.818 -0.628 . . . . 10.0 109.699 179.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -76.28 62.3 6.84 Favored 'Trans proline' 0 CA--C 1.532 0.398 0 C-N-CA 122.959 2.439 . . . . 10.0 112.446 -179.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.88 124.79 21.01 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.907 -0.588 . . . . 10.0 111.037 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 38.1 mm -82.35 -53.05 12.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 123.455 0.472 . . . . 10.0 110.394 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -154.15 99.44 2.23 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.885 -0.598 . . . . 10.0 110.402 -179.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -118.77 141.15 48.89 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.444 -0.344 . . . . 10.0 110.658 -179.403 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.91 131.67 56.06 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.888 0.375 . . . . 10.0 110.986 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -129.5 138.87 51.62 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.316 -0.402 . . . . 10.0 111.119 -179.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -116.16 143.17 45.85 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.529 -0.305 . . . . 10.0 110.461 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 52.0 tttp -152.28 132.23 13.37 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-O 121.007 0.432 . . . . 10.0 110.97 179.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -101.47 111.95 24.35 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.987 -0.746 . . . . 10.0 108.987 179.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 3.7 m -132.23 165.7 31.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.9 0.381 . . . . 10.0 111.245 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 93.6 t -103.04 111.68 33.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 109.547 -0.538 . . . . 10.0 109.547 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 24.1 mt -119.97 120.76 64.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.491 -0.322 . . . . 10.0 110.938 -179.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 62.7 23.57 14.04 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.575 -0.739 . . . . 10.0 112.325 179.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.52 8.38 64.1 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.989 -0.624 . . . . 10.0 113.065 179.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -121.66 140.65 52.01 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 110.292 -0.262 . . . . 10.0 110.292 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 56.1 m -78.9 112.73 16.36 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 107.999 -1.111 . . . . 10.0 107.999 178.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 12.8 m -108.62 135.79 49.28 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 112.767 0.655 . . . . 10.0 112.767 -177.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 29.8 tp -99.38 101.88 13.29 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.382 -0.97 . . . . 10.0 108.382 178.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 49.2 mt -83.48 122.35 28.42 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 112.678 0.621 . . . . 10.0 112.678 -178.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -107.85 86.62 2.33 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.077 -1.453 . . . . 10.0 107.077 177.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 9.5 mt -85.81 138.36 19.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.809 -0.632 . . . . 10.0 111.97 -176.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 36.3 tp -127.8 112.94 15.33 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.763 179.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -93.8 112.22 24.04 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.07 -0.715 . . . . 10.0 109.07 179.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 33.9 p -102.36 174.25 5.99 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.369 -0.378 . . . . 10.0 111.721 -178.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -96.17 135.49 37.9 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.25 0.548 . . . . 10.0 110.703 179.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -106.54 35.77 4.83 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.73 -0.748 . . . . 10.0 111.875 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -97.92 18.16 16.54 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 111.7 0.259 . . . . 10.0 111.7 -179.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 62.59 -172.26 0.16 Allowed 'General case' 0 CA--C 1.532 0.256 0 O-C-N 123.25 0.344 . . . . 10.0 111.109 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 73.87 2.8 4.31 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 122.963 0.505 . . . . 10.0 111.72 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -112.63 47.23 1.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.186 0.517 . . . . 10.0 111.123 -179.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -44.05 97.84 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.583 -0.735 . . . . 10.0 111.436 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -82.09 -36.45 27.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.21 0.529 . . . . 10.0 110.186 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 19.3 ttt -61.28 -33.91 74.32 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.802 -0.635 . . . . 10.0 110.368 179.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 68' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 -60.19 -48.02 83.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.163 -0.471 . . . . 10.0 110.429 179.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.62 -37.52 78.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.859 179.469 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -54.65 -45.3 73.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.182 -0.917 . . . . 10.0 112.545 -179.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 71' ' ' TYR . . . . . . . . . . . . . 15.5 p90 -91.89 -23.18 19.72 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 113.228 0.825 . . . . 10.0 113.228 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 44.6 mtt -64.3 -27.68 69.2 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.334 0.588 . . . . 10.0 111.459 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 32.2 mtm105 -79.95 -14.8 58.33 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.869 -0.605 . . . . 10.0 112.255 -179.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 1.8 m -107.0 -41.41 5.18 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.079 0.4 . . . . 10.0 112.079 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -58.46 116.15 8.11 Favored Glycine 0 C--N 1.329 0.184 0 C-N-CA 121.293 -0.48 . . . . 10.0 113.132 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -73.99 -42.88 59.75 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.889 -0.412 . . . . 10.0 109.889 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -122.65 143.58 15.43 Favored Glycine 0 N--CA 1.445 -0.715 0 N-CA-C 110.534 -1.027 . . . . 10.0 110.534 179.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 78' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -118.41 126.33 51.84 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 117.195 0.497 . . . . 10.0 111.863 -178.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 11.1 tp -97.53 106.38 18.69 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.812 -0.631 . . . . 10.0 109.694 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 4.2 m -83.43 88.32 6.99 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.031 0.443 . . . . 10.0 111.02 -179.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 99.0 t -95.92 128.93 46.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.02 -0.536 . . . . 10.0 110.979 -179.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 39.3 p90 -138.9 169.62 17.45 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.217 -0.66 . . . . 10.0 109.217 179.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -106.9 133.92 50.83 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 110.076 -0.342 . . . . 10.0 110.076 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 84' ' ' ILE . . . . . . . . . . . . . 12.5 pt -66.94 -15.36 19.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 111.819 0.303 . . . . 10.0 111.819 -179.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 9.8 p-10 -103.04 9.17 38.69 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.151 0.501 . . . . 10.0 110.103 179.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 53.5 t-20 -127.97 97.24 4.73 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.455 -0.793 . . . . 10.0 109.588 179.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 1.4 m -63.9 -35.93 82.28 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.933 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 23.4 tptp -60.69 -37.23 80.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.88 0.371 . . . . 10.0 111.301 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 95.1 p -68.16 -28.4 67.26 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.681 -0.408 . . . . 10.0 110.482 179.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -76.97 -35.58 57.11 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 109.064 -0.717 . . . . 10.0 109.064 178.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -68.77 -37.11 79.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.657 -0.701 . . . . 10.0 110.23 178.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.97 -17.71 65.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.593 -0.73 . . . . 10.0 112.063 -179.08 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 49.0 mm -57.95 -42.18 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 N-CA-C 109.75 -0.463 . . . . 10.0 109.75 179.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 4.1 t-160 -65.72 -46.05 80.42 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.61 -0.723 . . . . 10.0 109.441 179.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -60.07 -44.06 95.0 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.539 -0.755 . . . . 10.0 111.732 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -65.52 -50.06 66.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.359 -0.382 . . . . 10.0 111.409 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -56.12 -48.63 75.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.273 -0.421 . . . . 10.0 111.574 -179.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -61.09 -30.83 70.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.213 -0.449 . . . . 10.0 112.191 -179.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -75.15 -42.48 55.99 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.027 -0.36 . . . . 10.0 110.027 179.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 81.2 mt -57.04 -47.39 83.68 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.214 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -56.35 -39.66 73.21 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.747 -0.66 . . . . 10.0 112.085 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -77.5 -46.94 20.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.656 0.265 . . . . 10.0 111.71 -179.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 68.9 t -63.58 -44.54 98.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.793 0.33 . . . . 10.0 111.601 -179.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 15.8 tttp -82.36 -10.78 58.94 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.537 -0.301 . . . . 10.0 110.988 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 12.2 t70 56.03 50.52 13.59 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.546 -0.752 . . . . 10.0 111.355 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 9.6 t -149.99 157.08 42.79 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 116.143 -0.48 . . . . 10.0 110.925 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -95.18 -29.42 14.54 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.728 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -114.61 111.37 21.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.96 0.409 . . . . 10.0 110.747 -178.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 59.9 t -127.94 134.66 26.46 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 115.965 -0.561 . . . . 10.0 109.661 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -61.89 108.5 0.66 Allowed 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.868 2.379 . . . . 10.0 111.654 179.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 111' ' ' MET . . . . . . . . . . . . . 32.3 mtm -138.25 152.19 48.34 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.397 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 69.0 t -134.49 128.01 50.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.374 -0.602 . . . . 10.0 109.374 178.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 15.5 tp -83.8 114.22 21.47 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.404 -0.591 . . . . 10.0 109.404 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 60.5 t -117.58 117.84 56.44 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.475 0 CA-C-N 116.136 -0.483 . . . . 10.0 111.207 -178.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -98.85 118.22 6.1 Favored Glycine 0 N--CA 1.448 -0.561 0 N-CA-C 110.516 -1.033 . . . . 10.0 110.516 178.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -100.84 167.48 10.26 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.971 0.385 . . . . 10.0 111.5 -178.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 83.6 mttt 64.48 26.8 13.47 Favored 'General case' 0 N--CA 1.461 0.097 0 CA-C-N 115.741 -0.663 . . . . 10.0 111.35 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 118' ' ' CYS . . . . . . . . . . . . . 59.4 m -64.36 -18.02 64.27 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.952 0.723 . . . . 10.0 112.952 -179.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -90.32 2.08 55.89 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.789 0.328 . . . . 10.0 111.804 -179.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 17.1 mt -81.58 140.98 48.12 Favored Pre-proline 0 C--O 1.236 0.37 0 CA-C-N 116.383 -0.371 . . . . 10.0 110.459 179.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -66.85 138.41 48.41 Favored 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 122.788 2.325 . . . . 10.0 113.158 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 55.4 m 60.88 92.13 0.05 Allowed 'General case' 0 C--O 1.234 0.265 0 N-CA-C 113.637 0.977 . . . . 10.0 113.637 178.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 -89.34 147.2 24.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.013 179.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 7.9 p -94.6 -30.31 14.42 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.838 0.351 . . . . 10.0 110.16 178.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 64.4 t -95.43 120.55 44.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.115 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.94 140.88 47.74 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.185 179.629 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 1.8 m -63.24 -35.27 79.79 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.749 0.309 . . . . 10.0 110.467 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 43.1 mtmt -54.86 -54.73 38.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.765 -0.652 . . . . 10.0 111.638 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -62.41 -35.2 78.47 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 120.882 0.372 . . . . 10.0 111.826 -179.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.4 -41.26 85.21 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.038 0.447 . . . . 10.0 110.271 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -70.83 -39.02 73.25 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.861 -0.608 . . . . 10.0 110.028 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -63.87 -45.3 90.07 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.578 -0.737 . . . . 10.0 110.81 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 37.0 tp -59.83 -44.25 94.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.299 179.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.27 -37.07 85.79 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.762 -0.654 . . . . 10.0 110.215 179.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -61.71 -45.87 92.09 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.762 -0.653 . . . . 10.0 111.155 179.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 14.7 m -69.08 -35.9 77.03 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.124 -0.489 . . . . 10.0 111.509 -179.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -78.28 -18.33 55.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.438 -0.346 . . . . 10.0 111.563 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 78.87 21.43 68.46 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 121.027 -0.606 . . . . 10.0 112.157 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 44.9 pt -115.59 154.9 47.89 Favored Pre-proline 0 C--N 1.324 -0.518 0 N-CA-C 110.394 -0.225 . . . . 10.0 110.394 -179.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -77.62 148.29 25.81 Favored 'Trans proline' 0 C--O 1.233 0.267 0 C-N-CA 122.572 2.182 . . . . 10.0 113.122 -179.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -120.7 127.66 52.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.709 -0.678 . . . . 10.0 109.641 178.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 54.3 mt -130.96 130.97 64.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.864 0.364 . . . . 10.0 111.305 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -84.41 131.01 34.72 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.418 -0.956 . . . . 10.0 108.418 177.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 43.7 p -133.14 172.57 12.48 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.685 0.755 . . . . 10.0 112.35 -178.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 10.0 t -153.39 116.56 4.59 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.002 -0.999 . . . . 10.0 108.341 178.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -76.13 -29.99 58.04 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.236 -0.653 . . . . 10.0 109.236 179.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 75.7 tttt -65.12 -44.07 89.94 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 114.792 -1.095 . . . . 10.0 111.64 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.46 -0.97 34.29 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.062 0.393 . . . . 10.0 112.062 -179.053 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 20.4 ttt-85 56.71 49.23 14.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.283 0.563 . . . . 10.0 112.118 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -115.26 128.78 56.36 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.582 -0.735 . . . . 10.0 110.652 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 86.21 -1.1 87.59 Favored Glycine 0 CA--C 1.516 0.12 0 CA-C-N 116.042 -0.526 . . . . 10.0 113.55 178.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 3.2 t -63.43 -56.81 14.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.887 0.375 . . . . 10.0 111.306 -178.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -60.08 -41.99 93.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.645 -0.707 . . . . 10.0 110.312 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -62.09 -47.35 85.02 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.976 -0.556 . . . . 10.0 112.163 -179.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -57.0 -53.91 52.7 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.284 -0.416 . . . . 10.0 111.648 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -62.08 -43.8 98.06 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.088 -0.505 . . . . 10.0 111.78 -179.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -63.84 -44.12 94.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.963 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 55.5 m -60.08 -39.18 85.19 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.614 0.598 . . . . 10.0 112.614 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 44.7 tp -58.47 -35.26 71.91 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.898 0.38 . . . . 10.0 110.704 179.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 62.2 t -64.61 -39.02 84.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.145 179.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.27 -39.98 94.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.95 -0.568 . . . . 10.0 109.96 179.04 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 162' ' ' GLU . . . . . 0.455 ' CD ' ' HZ2' ' C' ' 165' ' ' LYS . 17.1 mm-40 -68.26 -31.16 70.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.676 -0.693 . . . . 10.0 111.147 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 95.6 mt -67.1 -44.86 87.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 N-CA-C 109.534 -0.543 . . . . 10.0 109.534 178.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 37.5 mtt85 -67.53 -38.45 84.25 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.561 -0.533 . . . . 10.0 109.561 178.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 165' ' ' LYS . . . . . 0.455 ' HZ2' ' CD ' ' C' ' 162' ' ' GLU . 35.1 ttmt -59.57 -38.81 82.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.268 -0.878 . . . . 10.0 109.771 179.293 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -65.01 -47.96 75.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.323 -0.853 . . . . 10.0 110.418 179.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 97.1 mttt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 115.944 -0.571 . . . . 10.0 111.036 -179.894 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 8.2 tmtm? . . . . . 0 CA--C 1.523 -0.096 0 CA-C-O 120.607 0.242 . . . . 10.0 111.437 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 86.4 mt -68.01 -36.42 79.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.92 0.391 . . . . 10.0 110.791 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 54.2 mt -69.78 -39.79 76.42 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.656 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -68.97 -44.34 73.12 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.721 -0.672 . . . . 10.0 110.663 179.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -73.94 -14.22 61.01 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.037 -0.529 . . . . 10.0 111.912 -179.703 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 21.3 t90 -69.51 -32.62 71.59 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 108.806 -0.813 . . . . 10.0 108.806 178.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -62.57 -40.7 97.72 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.371 -0.831 . . . . 10.0 110.478 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.38 -40.75 91.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.773 -0.649 . . . . 10.0 110.354 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 39.0 t -70.59 -40.03 76.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.041 178.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 26.5 m -59.76 -46.1 90.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.702 -0.681 . . . . 10.0 111.637 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 2.7 p -65.86 -45.03 83.64 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.049 0.452 . . . . 10.0 110.238 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 39.2 m -58.23 -46.27 86.2 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.05 178.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.8 -40.35 88.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.573 179.273 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 14.2 m -62.65 -46.59 87.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.227 -0.442 . . . . 10.0 109.991 179.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 40.5 mmtt -60.86 -41.51 96.05 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.965 -0.562 . . . . 10.0 109.885 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 88.9 mt -64.15 -42.58 96.71 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.3 179.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 24.4 ttm180 -65.78 -40.32 91.88 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.312 -0.403 . . . . 10.0 110.676 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -66.48 -27.94 68.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.014 0.435 . . . . 10.0 110.356 178.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -82.63 -28.93 30.42 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.74 -0.664 . . . . 10.0 109.411 178.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 13.9 mt -55.86 -41.58 74.58 Favored 'General case' 0 C--O 1.225 -0.196 0 CA-C-N 116.264 -0.425 . . . . 10.0 111.58 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -53.21 -67.84 1.93 Allowed Glycine 0 CA--C 1.518 0.263 0 N-CA-C 111.435 -0.666 . . . . 10.0 111.435 179.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -51.73 -44.9 41.54 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.996 2.464 . . . . 10.0 111.371 178.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 25.0 t -55.43 -48.76 76.64 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-O 120.636 0.255 . . . . 10.0 110.694 179.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 30.4 m -62.6 -44.67 95.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.068 -0.515 . . . . 10.0 109.971 179.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -61.72 -51.72 67.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.329 -0.396 . . . . 10.0 111.241 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -60.31 -47.36 86.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.921 -0.581 . . . . 10.0 111.257 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -64.68 -43.12 94.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.342 -0.39 . . . . 10.0 110.947 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -65.6 -37.01 85.41 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 116.272 -0.422 . . . . 10.0 111.46 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -59.35 -44.65 92.64 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.34 -0.615 . . . . 10.0 109.34 178.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -69.22 -34.61 75.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.483 -0.781 . . . . 10.0 109.611 178.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 41.9 mt -67.42 -32.8 73.93 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.976 -0.556 . . . . 10.0 109.522 178.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -65.58 -42.96 91.15 Favored 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 109.048 -0.723 . . . . 10.0 109.048 178.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 13.0 mtmt -69.09 -32.4 71.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.745 -0.661 . . . . 10.0 109.26 178.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.5 -48.48 66.98 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 115.733 -0.667 . . . . 10.0 109.892 178.753 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 2.5 p -67.18 -40.65 86.58 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.051 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -59.01 -44.67 91.72 Favored 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 109.622 -0.51 . . . . 10.0 109.622 178.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -59.22 -46.4 93.88 Favored Glycine 0 N--CA 1.448 -0.502 0 N-CA-C 110.7 -0.96 . . . . 10.0 110.7 178.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 14.5 mt -68.37 -27.51 66.3 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.686 0.279 . . . . 10.0 111.691 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -68.96 -38.02 79.16 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.246 0.546 . . . . 10.0 109.689 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -75.88 -36.22 59.58 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.413 -0.958 . . . . 10.0 108.413 177.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -64.13 -37.95 89.31 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 115.046 -0.979 . . . . 10.0 109.962 178.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 48.7 ttm -55.84 -36.59 67.69 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.699 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 2.3 m -68.52 0.89 3.54 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.848 -0.615 . . . . 10.0 111.745 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -133.3 -56.09 0.91 Allowed 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.136 179.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 246' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -55.94 -41.5 74.74 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.706 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . 17.4 mt -98.44 -40.76 8.12 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.151 0.426 . . . . 10.0 112.151 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -61.95 -43.93 97.81 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.934 -0.306 . . . . 10.0 111.614 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -68.36 -34.44 76.08 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.953 -0.299 . . . . 10.0 111.043 179.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 250' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -66.96 -22.29 29.34 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.513 0 C-N-CA 120.681 -0.408 . . . . 10.0 110.668 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 82.3 mttt -86.47 -46.61 10.04 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.371 -0.603 . . . . 10.0 109.371 178.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -64.14 -37.35 87.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.978 -0.555 . . . . 10.0 110.967 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -86.36 -15.65 39.82 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.213 -0.449 . . . . 10.0 111.464 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 254' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.99 -25.69 32.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.654 -0.418 . . . . 10.0 110.727 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -60.28 -62.2 6.41 Favored Pre-proline 0 N--CA 1.452 -0.336 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.513 179.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -68.35 -28.91 32.54 Favored 'Trans proline' 0 C--N 1.356 0.921 0 C-N-CA 121.62 1.546 . . . . 10.0 111.68 178.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 6.7 m-30 -65.81 -54.59 24.85 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-O 120.87 0.367 . . . . 10.0 110.678 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 62.6 mt -66.7 -35.04 79.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.371 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -63.47 -46.76 84.72 Favored 'General case' 0 CA--C 1.517 -0.324 0 O-C-N 123.41 0.444 . . . . 10.0 110.036 178.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -56.58 -53.29 59.31 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.187 179.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -63.41 -41.65 98.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.569 -0.742 . . . . 10.0 111.467 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.54 -40.98 85.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.537 0.208 . . . . 10.0 111.101 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.32 -44.99 95.22 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.08 -0.711 . . . . 10.0 109.08 179.302 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 264' ' ' LYS . . . . . . . . . . . . . 78.2 mttt -68.4 -36.6 79.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.689 -0.687 . . . . 10.0 109.755 178.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -63.12 -39.09 93.66 Favored 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 109.585 -0.524 . . . . 10.0 109.585 178.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -59.58 -49.47 77.65 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 108.883 -0.784 . . . . 10.0 108.883 178.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -64.25 -41.16 97.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.656 -0.702 . . . . 10.0 110.39 179.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -60.87 -44.31 97.23 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.951 -0.388 . . . . 10.0 109.951 178.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 90.9 mmm -68.17 -42.73 79.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.947 -0.57 . . . . 10.0 110.063 179.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -60.77 -50.22 74.33 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 116.227 -0.442 . . . . 10.0 109.843 179.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 39.0 mt -60.28 -39.18 85.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.064 -0.517 . . . . 10.0 109.89 178.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -63.23 -50.87 68.51 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.174 -0.466 . . . . 10.0 109.948 178.644 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 61.0 mtt85 -63.59 -38.57 91.63 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.62 -0.264 . . . . 10.0 110.985 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 44.4 mm-40 -63.9 -25.81 68.32 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.646 179.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 275' ' ' LYS . . . . . . . . . . . . . 11.1 mptt -93.33 -30.69 15.0 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.963 -0.562 . . . . 10.0 109.855 178.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 4.2 t -55.59 -45.42 78.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 10.0 111.746 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -58.87 -61.14 8.36 Favored Pre-proline 0 C--O 1.234 0.262 0 N-CA-C 112.729 0.64 . . . . 10.0 112.729 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -60.89 -42.38 38.09 Favored 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 122.026 1.817 . . . . 10.0 112.347 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 20.0 mt -63.36 -41.61 98.84 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 121.007 -0.277 . . . . 10.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -62.21 -42.05 98.94 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 109.397 -0.594 . . . . 10.0 109.397 178.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -62.88 -46.84 85.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.804 -0.634 . . . . 10.0 110.038 179.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -59.08 -48.53 81.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.195 179.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 94.1 mt -62.86 -39.04 93.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.593 -0.731 . . . . 10.0 110.577 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -64.22 -50.36 68.32 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.677 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -62.09 -41.62 98.38 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.207 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -64.21 -47.22 87.15 Favored Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 110.767 -0.933 . . . . 10.0 110.767 178.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -58.58 -40.65 83.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.601 0.239 . . . . 10.0 110.42 179.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -56.59 -46.82 80.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.477 179.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 11.0 tm0? -72.43 -49.2 35.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.86 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -57.6 -43.38 84.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.09 -0.504 . . . . 10.0 112.128 -179.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 92.3 mt -72.84 -38.39 67.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.641 -0.254 . . . . 10.0 111.126 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 24.0 t-80 -65.06 -36.93 85.9 Favored 'General case' 0 CA--C 1.521 -0.155 0 N-CA-C 108.663 -0.866 . . . . 10.0 108.663 178.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -60.88 -36.2 78.59 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 115.235 -0.893 . . . . 10.0 109.006 178.18 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 13.4 mt -71.04 -42.42 69.52 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 115.503 -0.771 . . . . 10.0 109.853 178.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -62.43 -30.89 71.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.376 179.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -67.5 -9.32 41.19 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.792 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 58.7 mmtt -112.74 -37.8 4.76 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.617 -0.883 . . . . 10.0 108.617 178.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 43.6 mt -57.69 -32.17 67.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.524 -0.762 . . . . 10.0 111.978 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 299' ' ' SER . . . . . . . . . . . . . 1.1 m -87.31 -67.3 0.16 Allowed Pre-proline 0 CA--C 1.537 0.461 0 N-CA-C 112.137 0.421 . . . . 10.0 112.137 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 300' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_exo -59.6 -55.85 1.55 Allowed 'Trans proline' 0 C--N 1.355 0.887 0 C-N-CA 122.28 1.987 . . . . 10.0 112.63 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 88.9 mt -73.87 -21.24 60.17 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.06 0.457 . . . . 10.0 110.385 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -70.53 -52.58 15.71 Favored Glycine 0 N--CA 1.443 -0.852 0 N-CA-C 111.017 -0.833 . . . . 10.0 111.017 178.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -65.33 -34.57 78.64 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.675 -0.491 . . . . 10.0 109.675 178.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -63.02 -41.33 99.52 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.603 -0.726 . . . . 10.0 109.479 178.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 7.4 tpt -66.04 -42.76 89.12 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.659 -0.7 . . . . 10.0 109.513 178.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 70.4 mtt180 -59.51 -44.67 93.07 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.299 178.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -65.97 -41.87 90.6 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.828 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -65.48 -31.98 73.35 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.258 -0.645 . . . . 10.0 109.258 178.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -68.43 -35.88 78.24 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 108.906 -0.776 . . . . 10.0 108.906 178.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 310' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -58.71 -42.77 89.41 Favored 'General case' 0 CA--C 1.516 -0.335 0 N-CA-C 108.998 -0.741 . . . . 10.0 108.998 177.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -71.34 -38.81 71.61 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.663 -0.699 . . . . 10.0 109.557 178.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -54.9 -51.26 66.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.437 -0.801 . . . . 10.0 109.521 178.443 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 21.1 t -76.68 -29.72 18.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.541 -0.754 . . . . 10.0 111.522 -179.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -63.03 -48.51 78.46 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.548 -0.538 . . . . 10.0 109.548 179.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -59.38 -36.81 76.48 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.011 -0.737 . . . . 10.0 109.011 178.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 44.8 mt -66.12 -53.49 37.24 Favored 'General case' 0 C--O 1.219 -0.548 0 CA-C-N 115.32 -0.855 . . . . 10.0 109.38 178.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 17.5 mtm105 -56.09 -43.13 77.75 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.184 0.439 . . . . 10.0 112.184 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 2.0 m -69.88 -23.1 63.2 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.01 0.374 . . . . 10.0 112.01 -179.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 7.9 m170 -97.56 -41.7 8.03 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 111.779 0.288 . . . . 10.0 111.779 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 93.3 mt -64.17 -33.57 76.1 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.917 0.34 . . . . 10.0 111.917 -179.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -55.94 -62.47 4.62 Favored Pre-proline 0 CA--C 1.535 0.392 0 C-N-CA 121.079 -0.248 . . . . 10.0 111.497 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -66.12 -33.44 40.53 Favored 'Trans proline' 0 C--N 1.354 0.834 0 C-N-CA 121.393 1.396 . . . . 10.0 111.125 178.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 10.0 m-30 -61.78 -47.72 83.91 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.553 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 25.0 p -66.53 -37.74 85.67 Favored 'General case' 0 CA--C 1.517 -0.301 0 O-C-N 123.279 0.362 . . . . 10.0 110.338 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -64.35 -39.11 93.23 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.247 0.546 . . . . 10.0 109.668 179.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -70.67 -30.6 67.23 Favored 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 108.906 -0.775 . . . . 10.0 108.906 177.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 67.9 mt -69.77 -32.28 70.7 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 108.672 -0.862 . . . . 10.0 108.672 178.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 83.1 mtt180 -63.37 -38.66 92.0 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 108.701 -0.852 . . . . 10.0 108.701 177.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -66.55 -41.44 88.69 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 108.709 -0.849 . . . . 10.0 108.709 177.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 34.3 mtt180 -59.41 -49.53 77.45 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 115.533 -0.758 . . . . 10.0 109.873 178.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 25.0 mt -56.96 -44.95 83.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.681 -0.69 . . . . 10.0 110.233 179.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -63.31 -42.7 99.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.607 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -66.45 -48.78 68.84 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.791 179.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 28.4 mmt180 -60.82 -51.69 68.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.855 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 35.7 mt -64.05 -37.88 89.05 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.152 0.427 . . . . 10.0 112.152 -179.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -65.61 -44.14 87.46 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.765 -0.374 . . . . 10.0 110.543 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -65.83 -45.04 83.72 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 109.937 -0.394 . . . . 10.0 109.937 179.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 89.9 mt -72.06 -11.63 60.84 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.85 -0.614 . . . . 10.0 111.697 179.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 46.9 tttt -89.16 -45.94 9.19 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.924 0.393 . . . . 10.0 110.098 179.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -66.15 -48.16 71.7 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 108.831 -0.803 . . . . 10.0 108.831 178.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -70.31 -35.77 73.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.347 -0.842 . . . . 10.0 109.045 178.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -62.12 -45.54 95.85 Favored Glycine 0 N--CA 1.448 -0.538 0 CA-C-N 115.681 -0.69 . . . . 10.0 111.78 179.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -62.83 -37.88 95.59 Favored Glycine 0 N--CA 1.445 -0.715 0 N-CA-C 110.58 -1.008 . . . . 10.0 110.58 178.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -64.95 -43.2 93.46 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 109.685 -0.487 . . . . 10.0 109.685 178.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 49.9 mtm180 -63.52 -44.1 95.25 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.102 -0.499 . . . . 10.0 109.818 179.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 47.7 mt -60.65 -54.84 40.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.72 -0.673 . . . . 10.0 110.773 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.26 -43.2 82.81 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.216 0.532 . . . . 10.0 110.635 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -64.7 -46.15 83.58 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.601 -0.727 . . . . 10.0 110.113 179.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -63.05 -31.85 73.08 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.747 0.277 . . . . 10.0 111.747 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 32.3 m-70 -66.01 -40.13 90.83 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.604 -0.887 . . . . 10.0 108.604 177.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -68.86 -41.44 78.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.399 -0.819 . . . . 10.0 109.44 178.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 38.4 mttm -61.97 -44.22 97.2 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.023 -0.732 . . . . 10.0 109.023 178.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -61.79 -32.78 73.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.648 -0.705 . . . . 10.0 109.982 179.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 57.7 m -66.0 -43.2 88.42 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.794 -0.817 . . . . 10.0 108.794 179.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -63.94 -38.64 91.83 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.533 -0.543 . . . . 10.0 109.533 177.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 -64.71 -40.21 94.97 Favored 'General case' 0 C--O 1.223 -0.333 0 N-CA-C 109.303 -0.629 . . . . 10.0 109.303 178.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 68.6 mt -66.66 -38.0 85.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.568 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 20.2 m -63.11 -40.62 98.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.254 179.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.32 -32.02 54.99 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.521 -0.548 . . . . 10.0 109.521 179.185 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 30.6 tp -66.18 -30.12 70.53 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-N 115.717 -0.674 . . . . 10.0 109.446 178.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 50.5 m -63.09 -33.78 76.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.831 -0.622 . . . . 10.0 109.331 178.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -72.34 -17.76 61.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.825 -0.625 . . . . 10.0 110.195 178.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 363' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -92.38 -38.08 12.22 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.01 179.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -80.51 -19.64 45.38 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.539 -0.755 . . . . 10.0 112.582 -179.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -113.97 -77.41 0.01 OUTLIER Pre-proline 0 CA--C 1.538 0.506 0 N-CA-C 112.547 0.573 . . . . 10.0 112.547 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -58.37 -51.03 8.21 Favored 'Trans proline' 0 C--N 1.357 0.99 0 C-N-CA 121.846 1.697 . . . . 10.0 112.755 -179.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 367' ' ' ALA . . . . . . . . . . . . . . . -63.35 -44.53 94.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.562 -0.29 . . . . 10.0 111.373 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 2.7 mt -61.57 -44.88 96.22 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 121.014 -0.274 . . . . 10.0 110.917 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -63.81 -39.36 94.06 Favored 'General case' 0 C--O 1.224 -0.245 0 N-CA-C 109.485 -0.561 . . . . 10.0 109.485 178.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -62.33 -48.11 81.27 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.591 -0.731 . . . . 10.0 109.605 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 92.6 mt -64.73 -40.37 95.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.795 179.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 78.8 mtt180 -63.65 -49.69 72.24 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.698 179.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -64.84 -27.3 68.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.706 179.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -79.68 -42.07 11.95 Favored Glycine 0 N--CA 1.444 -0.774 0 C-N-CA 120.783 -0.722 . . . . 10.0 112.005 179.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 51.7 mt -76.57 -28.46 56.24 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.752 0.649 . . . . 10.0 112.752 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 19.0 mt -49.69 -57.94 10.7 Favored Pre-proline 0 CA--C 1.537 0.457 0 N-CA-C 112.876 0.695 . . . . 10.0 112.876 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.72 -22.41 50.12 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 121.898 1.732 . . . . 10.0 111.318 179.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 76.7 t -72.31 -40.03 64.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 108.535 -0.913 . . . . 10.0 108.535 178.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 72.5 mt -64.66 -36.89 85.71 Favored 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 108.816 -0.809 . . . . 10.0 108.816 178.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -63.85 -49.15 73.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.619 -0.718 . . . . 10.0 110.123 178.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.37 -35.26 79.89 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.23 179.43 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.7 -39.4 91.35 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 115.926 -0.579 . . . . 10.0 109.693 178.527 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -62.55 -34.55 77.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.98 -0.555 . . . . 10.0 109.513 178.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 87.1 t -67.36 -46.47 83.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.816 -0.629 . . . . 10.0 109.604 179.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.98 -41.5 95.37 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.923 0.392 . . . . 10.0 110.383 179.312 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -60.34 -51.25 70.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.73 -0.668 . . . . 10.0 111.206 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 90.2 mt -60.27 -44.24 95.5 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.3 -0.409 . . . . 10.0 111.023 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 19.8 m -62.38 -44.26 96.87 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.892 -0.594 . . . . 10.0 110.448 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -63.79 -43.55 95.99 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.548 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 70.4 mt -59.1 -43.0 91.83 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.509 -0.314 . . . . 10.0 110.471 179.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -62.98 -37.4 86.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.779 -0.646 . . . . 10.0 110.312 178.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -61.42 -40.7 95.4 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.464 179.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -64.86 -42.42 94.89 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.8 -0.636 . . . . 10.0 110.702 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 1.1 m -70.73 -35.25 72.61 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.853 0.359 . . . . 10.0 110.467 179.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -71.18 -41.78 69.89 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.941 0.719 . . . . 10.0 112.941 -179.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -93.15 -40.11 10.67 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 114.246 1.202 . . . . 10.0 114.246 -177.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 82.7 mt -83.45 -3.0 57.18 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.137 0.421 . . . . 10.0 112.137 -179.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 30.3 t30 . . . . . 0 C--N 1.322 -0.617 0 CA-C-N 116.366 -0.379 . . . . 10.0 110.201 179.927 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 2.3 mm? . . . . . 0 CA--C 1.52 -0.186 0 CA-C-O 121.403 0.62 . . . . 10.0 110.106 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 4.5 mtpm? -122.53 17.62 10.45 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.247 -0.888 . . . . 10.0 109.516 179.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 71.8 mt -66.67 -40.9 88.79 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.409 -0.814 . . . . 10.0 110.148 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 84.5 mt -64.28 -35.34 80.52 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.652 -0.704 . . . . 10.0 109.841 178.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -64.63 -43.6 93.18 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.53 -0.759 . . . . 10.0 109.883 179.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -70.86 -39.11 73.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.267 179.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -60.83 -37.37 81.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.975 -0.557 . . . . 10.0 111.159 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -61.61 -44.54 96.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.441 -0.345 . . . . 10.0 110.135 179.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.28 -42.01 85.61 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.972 -0.558 . . . . 10.0 109.972 178.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 46.3 t -65.43 -39.8 86.34 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 CA-C-N 115.91 -0.586 . . . . 10.0 109.75 179.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 27.4 m -62.97 -43.57 98.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.713 -0.676 . . . . 10.0 109.914 179.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 7.6 m -62.39 -35.53 79.49 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 109.453 -0.573 . . . . 10.0 109.453 178.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 45.4 m -61.42 -45.34 94.72 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.574 -0.739 . . . . 10.0 109.688 178.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -68.03 -35.19 77.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.812 179.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 15.9 m -61.36 -46.44 90.22 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.608 -0.516 . . . . 10.0 109.608 179.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 24.9 mmtt -66.09 -29.38 69.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.778 -0.647 . . . . 10.0 110.19 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 10.7 mt -70.25 -40.44 74.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.05 -0.523 . . . . 10.0 109.707 178.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 81.1 mtt180 -68.18 -32.8 73.31 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.815 -0.63 . . . . 10.0 110.375 179.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -67.05 -27.2 67.19 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.664 -0.698 . . . . 10.0 109.614 178.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -81.19 -49.43 10.82 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.391 -0.822 . . . . 10.0 109.075 178.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 81.6 mt -44.76 -42.91 8.13 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.18 -0.918 . . . . 10.0 112.387 -179.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -54.17 -79.27 0.09 OUTLIER Glycine 0 C--N 1.333 0.377 0 C-N-CA 121.118 -0.563 . . . . 10.0 112.569 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -55.56 -38.73 93.82 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.937 2.425 . . . . 10.0 112.433 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 20.7 t -58.77 -44.63 90.65 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 CA-C-N 116.586 -0.279 . . . . 10.0 111.692 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 33.9 p -73.64 -33.78 64.67 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.651 -0.42 . . . . 10.0 110.363 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -58.31 -51.83 68.16 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.424 -0.584 . . . . 10.0 109.424 178.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -75.96 -26.04 56.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.884 -0.598 . . . . 10.0 111.051 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -65.95 -44.55 84.67 Favored 'General case' 0 CA--C 1.514 -0.412 0 N-CA-C 109.121 -0.696 . . . . 10.0 109.121 178.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 12.3 m0 -65.5 -38.83 90.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.465 -0.788 . . . . 10.0 109.498 178.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -65.86 -40.79 92.0 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.023 -0.732 . . . . 10.0 109.023 178.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -62.69 -45.85 90.88 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.694 -0.854 . . . . 10.0 108.694 177.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 52.0 mt -58.3 -37.97 76.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.409 -0.814 . . . . 10.0 110.266 178.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -64.51 -42.22 95.93 Favored 'General case' 0 CA--C 1.523 -0.066 0 CA-C-N 116.561 -0.29 . . . . 10.0 110.432 178.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 36.0 mttp -64.35 -44.18 92.25 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 109.076 -0.713 . . . . 10.0 109.076 178.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -64.04 -55.35 22.87 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.393 -0.821 . . . . 10.0 110.887 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 16.9 p -57.15 -45.56 83.48 Favored 'General case' 0 C--O 1.226 -0.174 0 CA-C-N 116.339 -0.391 . . . . 10.0 111.674 -179.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -60.56 -46.92 88.4 Favored 'General case' 0 CA--C 1.519 -0.225 0 O-C-N 122.954 0.159 . . . . 10.0 110.691 179.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -60.66 -47.38 91.45 Favored Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 110.597 -1.001 . . . . 10.0 110.597 178.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 54.3 mt -63.71 -35.19 79.75 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-O 120.652 0.263 . . . . 10.0 110.546 179.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 42.3 mtt180 -62.96 -41.83 99.64 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.781 -0.451 . . . . 10.0 109.781 179.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -67.18 -37.45 83.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.065 -0.516 . . . . 10.0 109.966 178.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -67.76 -43.67 79.32 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.712 -0.676 . . . . 10.0 109.534 178.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 96.6 mmm -70.42 -35.28 73.32 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.254 -0.885 . . . . 10.0 113.172 -178.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 2.5 p -63.84 -48.89 74.97 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.529 -0.545 . . . . 10.0 109.529 179.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -64.13 -36.55 84.4 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.694 -0.684 . . . . 10.0 109.22 178.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -63.77 -56.18 17.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.138 -0.937 . . . . 10.0 110.391 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 79.6 mt -60.34 -46.32 90.35 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.299 0.481 . . . . 10.0 112.299 -179.113 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 446' ' ' GLU . . . . . 0.442 ' CD ' ' HZ1' ' D' ' 449' ' ' LYS . 21.8 mm-40 -60.91 -44.94 96.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.121 0.486 . . . . 10.0 110.637 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 447' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -72.01 -27.63 62.86 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.197 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 2.0 t -61.9 -42.15 93.58 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.307 0 N-CA-C 108.895 -0.78 . . . . 10.0 108.895 178.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 449' ' ' LYS . . . . . 0.442 ' HZ1' ' CD ' ' D' ' 446' ' ' GLU . 78.3 mttt -65.36 -38.58 90.49 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.232 -0.655 . . . . 10.0 109.232 178.754 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -79.06 5.07 12.73 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.579 -0.737 . . . . 10.0 111.288 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 60.0 mttm -121.19 -48.84 2.2 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.588 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 96.7 t -63.94 -40.79 90.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.477 -0.329 . . . . 10.0 111.366 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -56.97 -59.3 12.99 Favored Pre-proline 0 CA--C 1.535 0.371 0 C-N-CA 120.895 -0.322 . . . . 10.0 111.478 179.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -67.28 -30.31 37.4 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 121.779 1.652 . . . . 10.0 111.796 178.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -68.78 -40.84 79.46 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-O 120.561 0.22 . . . . 10.0 110.579 179.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 17.5 mt -65.58 -40.65 92.99 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 109.025 -0.732 . . . . 10.0 109.025 178.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -65.24 -44.46 88.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.486 -0.779 . . . . 10.0 109.514 178.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -62.53 -45.74 91.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.691 -0.686 . . . . 10.0 110.257 179.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.72 -40.66 88.5 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.517 178.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -64.8 -29.24 70.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.765 0.317 . . . . 10.0 110.202 178.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 40.7 mttt -65.14 -45.34 85.42 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 108.339 -0.986 . . . . 10.0 108.339 177.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 27.1 mtmm -71.74 -35.39 70.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.182 -0.917 . . . . 10.0 110.01 178.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 13.1 m0 -63.65 -39.81 95.29 Favored 'General case' 0 CA--C 1.518 -0.254 0 N-CA-C 109.267 -0.642 . . . . 10.0 109.267 178.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -63.81 -44.22 93.93 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 108.953 -0.758 . . . . 10.0 108.953 178.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 465' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -57.61 -52.29 66.02 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 108.751 -0.833 . . . . 10.0 108.751 177.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -55.61 -47.61 76.25 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 115.554 -0.748 . . . . 10.0 110.487 179.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 2.7 mtm -61.99 -46.91 87.18 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.378 -0.374 . . . . 10.0 111.125 179.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -65.69 -34.42 78.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.842 0.353 . . . . 10.0 110.088 179.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 469' ' ' LEU . . . . . . . . . . . . . 64.0 mt -68.08 -38.5 82.44 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 115.89 -0.595 . . . . 10.0 109.575 178.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 11.4 m-30 -63.33 -41.61 98.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.112 0.482 . . . . 10.0 110.105 178.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 81.5 mtt180 -72.81 -13.84 61.39 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.74 179.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -116.99 24.71 11.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.391 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 473' ' ' LYS . . . . . . . . . . . . . 3.2 mttp -153.79 -66.82 0.14 Allowed 'General case' 0 C--O 1.221 -0.41 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.071 179.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 99.7 t -58.82 -44.75 91.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.83 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -60.99 -58.69 17.43 Favored Pre-proline 0 CA--C 1.535 0.366 0 N-CA-C 111.675 0.25 . . . . 10.0 111.675 179.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.62 -38.29 95.85 Favored 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 121.851 1.701 . . . . 10.0 110.951 178.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 34.4 mt -67.47 -31.81 72.22 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 116.3 -0.409 . . . . 10.0 110.098 179.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 28.8 mtt180 -64.71 -38.82 92.28 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 109.61 -0.515 . . . . 10.0 109.61 178.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -70.61 -43.32 69.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.766 -0.652 . . . . 10.0 109.497 178.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -61.96 -46.17 90.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.639 -0.71 . . . . 10.0 109.584 178.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 57.3 mt -70.75 -27.53 64.01 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.85 179.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.53 -42.87 82.06 Favored 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 107.884 -1.154 . . . . 10.0 107.884 178.22 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -66.87 -44.25 81.4 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 108.641 -0.874 . . . . 10.0 108.641 178.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -62.01 -36.43 92.88 Favored Glycine 0 N--CA 1.447 -0.601 0 N-CA-C 111.086 -0.806 . . . . 10.0 111.086 178.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -69.94 -36.32 75.2 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.931 -0.396 . . . . 10.0 109.931 178.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 69.7 mtt180 -66.46 -41.57 88.85 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 108.747 -0.834 . . . . 10.0 108.747 178.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -65.34 -45.62 83.5 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 108.623 -0.88 . . . . 10.0 108.623 178.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -59.03 -44.07 91.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.519 -0.764 . . . . 10.0 109.953 179.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 2.5 mt -63.54 -39.53 94.65 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.971 -0.559 . . . . 10.0 109.815 178.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 16.1 t-160 -64.1 -45.48 88.45 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 108.791 -0.818 . . . . 10.0 108.791 178.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -58.02 -45.19 87.3 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 108.942 -0.762 . . . . 10.0 108.942 178.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 92.6 mt -64.57 -39.73 94.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.546 -0.752 . . . . 10.0 111.38 179.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -57.72 -43.07 85.03 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.045 0.45 . . . . 10.0 110.578 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -76.86 14.2 0.89 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.471 -0.786 . . . . 10.0 111.505 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 495' ' ' LYS . . . . . . . . . . . . . 18.1 mttp -131.49 -46.15 0.98 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.209 178.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 82.5 mt -64.28 -25.94 68.27 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.112 -0.495 . . . . 10.0 111.022 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 497' ' ' SER . . . . . . . . . . . . . 2.3 m -84.52 -65.46 0.22 Allowed Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 116.434 -0.348 . . . . 10.0 111.845 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 498' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -62.89 -56.83 0.51 Allowed 'Trans proline' 0 C--N 1.358 1.056 0 C-N-CA 121.658 1.572 . . . . 10.0 112.438 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 499' ' ' LEU . . . . . . . . . . . . . 10.1 mt -69.21 -29.96 68.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.471 0.177 . . . . 10.0 110.78 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -64.35 -51.5 51.99 Favored Glycine 0 N--CA 1.449 -0.462 0 N-CA-C 111.431 -0.668 . . . . 10.0 111.431 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -70.87 -30.67 67.11 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.999 -0.371 . . . . 10.0 109.999 178.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 502' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -64.78 -46.59 81.45 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.018 -0.537 . . . . 10.0 109.619 179.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 74.4 mmm -61.66 -38.12 86.59 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 116.22 -0.445 . . . . 10.0 109.884 179.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 51.3 mtt180 -66.06 -37.06 84.88 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.146 178.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -69.93 -36.24 75.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.303 0.573 . . . . 10.0 109.634 178.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 506' ' ' ARG . . . . . . . . . . . . . 65.3 mtt180 -63.3 -45.68 90.23 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 107.365 -1.346 . . . . 10.0 107.365 177.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -59.39 -37.69 78.61 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 115.23 -0.896 . . . . 10.0 109.749 179.021 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 508' ' ' ARG . . . . . . . . . . . . . 70.6 mtt180 -59.42 -45.75 90.67 Favored 'General case' 0 C--O 1.224 -0.279 0 N-CA-C 108.722 -0.844 . . . . 10.0 108.722 178.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -65.53 -34.97 79.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.826 -0.625 . . . . 10.0 110.547 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 41.6 m-70 -68.37 -48.41 64.83 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.085 0.469 . . . . 10.0 109.77 178.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 75.7 t -65.31 -41.91 92.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.709 -0.678 . . . . 10.0 110.246 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -61.26 -37.52 83.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.165 179.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -66.49 -46.59 75.77 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.197 -0.668 . . . . 10.0 109.197 178.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 514' ' ' LEU . . . . . . . . . . . . . 69.7 mt -58.18 -23.65 56.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.522 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 515' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 -67.75 -25.5 65.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.968 0.413 . . . . 10.0 110.088 178.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 2.5 m -112.23 -13.92 13.42 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.159 0.504 . . . . 10.0 110.058 179.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 16.9 m170 -91.15 -56.76 3.03 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.928 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 59.1 mt -90.3 -49.71 6.38 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 113.363 0.875 . . . . 10.0 113.363 -177.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 519' ' ' ALA . . . . . . . . . . . . . . . -46.3 -60.11 4.06 Favored Pre-proline 0 N--CA 1.47 0.558 0 N-CA-C 113.715 1.006 . . . . 10.0 113.715 -178.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 520' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -62.97 -30.72 76.95 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.002 1.802 . . . . 10.0 111.338 179.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -64.83 -41.27 95.88 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.859 -0.609 . . . . 10.0 110.35 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.11 -37.3 84.58 Favored 'General case' 0 CA--C 1.52 -0.176 0 N-CA-C 109.938 -0.393 . . . . 10.0 109.938 178.753 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -67.17 -37.82 84.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.22 0.533 . . . . 10.0 109.815 179.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -71.54 -35.17 70.56 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 108.662 -0.866 . . . . 10.0 108.662 178.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 16.3 mt -64.19 -32.59 74.23 Favored 'General case' 0 C--O 1.22 -0.469 0 N-CA-C 108.784 -0.821 . . . . 10.0 108.784 178.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 526' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 -64.03 -37.19 86.52 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.274 -0.639 . . . . 10.0 109.274 178.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -67.43 -41.12 85.3 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.288 -0.634 . . . . 10.0 109.288 178.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 528' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -67.23 -48.39 67.95 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.362 -0.835 . . . . 10.0 109.488 179.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 82.9 mt -62.7 -28.23 69.8 Favored 'General case' 0 C--O 1.222 -0.374 0 CA-C-N 115.835 -0.62 . . . . 10.0 110.592 179.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -65.68 -37.78 87.44 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.089 -0.708 . . . . 10.0 109.089 178.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -73.32 -39.62 65.13 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.754 -0.832 . . . . 10.0 108.754 178.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 7.7 ttm180 -62.37 -45.23 94.13 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.348 -0.842 . . . . 10.0 109.05 178.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 31.6 mt -64.15 -42.01 96.94 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.936 -0.574 . . . . 10.0 109.946 178.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -60.02 -43.08 95.51 Favored 'General case' 0 CA--C 1.522 -0.108 0 CA-C-N 116.096 -0.502 . . . . 10.0 109.975 179.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -65.13 -37.32 87.05 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 109.336 -0.616 . . . . 10.0 109.336 178.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 76.3 mt -71.97 -22.57 61.42 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.936 -0.574 . . . . 10.0 110.397 178.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -83.72 -37.89 22.11 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.757 -0.831 . . . . 10.0 108.757 178.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 22.3 tp10 -68.54 -57.81 5.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.368 -0.833 . . . . 10.0 109.518 178.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -67.67 -34.16 76.36 Favored 'General case' 0 CA--C 1.514 -0.425 0 N-CA-C 109.188 -0.671 . . . . 10.0 109.188 179.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -63.54 -48.82 74.44 Favored Glycine 0 N--CA 1.451 -0.351 0 CA-C-N 115.772 -0.649 . . . . 10.0 111.644 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -64.13 -42.97 97.84 Favored Glycine 0 N--CA 1.445 -0.708 0 N-CA-C 111.072 -0.811 . . . . 10.0 111.072 179.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -61.97 -49.88 74.34 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 110.04 -0.356 . . . . 10.0 110.04 178.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 60.7 mtt180 -60.81 -30.01 69.81 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-N 116.189 -0.459 . . . . 10.0 110.827 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 14.7 mt -64.32 -46.0 85.42 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.39 -0.596 . . . . 10.0 109.39 178.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -66.08 -44.24 85.02 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 109.351 -0.611 . . . . 10.0 109.351 179.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 -59.86 -45.01 93.78 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-N 115.533 -0.758 . . . . 10.0 109.922 178.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -66.16 -40.7 90.71 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.923 179.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -62.02 -42.24 98.94 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 109.683 -0.488 . . . . 10.0 109.683 178.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -69.31 -47.36 64.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.616 -0.72 . . . . 10.0 109.288 178.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.58 -37.28 78.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.879 -0.6 . . . . 10.0 110.965 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -65.02 -42.29 94.55 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 116.117 -0.492 . . . . 10.0 109.866 179.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 5.8 m -69.56 -41.66 75.58 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.121 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 78.2 mt-10 -61.33 -47.4 86.07 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 108.928 -0.768 . . . . 10.0 108.928 178.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 32.4 t60 -62.87 -44.01 97.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.41 -0.814 . . . . 10.0 109.936 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 23.7 tp -61.21 -36.95 81.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.108 0.48 . . . . 10.0 109.723 179.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 44.0 m -65.8 -47.98 73.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.777 -0.647 . . . . 10.0 109.785 179.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 1.5 p -66.73 -31.21 71.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.79 0.329 . . . . 10.0 110.341 178.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 38.2 mt -66.49 -56.71 9.6 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.075 178.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 5.4 p -65.24 -31.19 72.23 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 116.512 -0.313 . . . . 10.0 111.556 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -62.72 -32.86 74.05 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.154 -0.475 . . . . 10.0 109.722 178.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.84 -36.59 12.17 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.342 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -55.03 -47.75 74.33 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.665 0.617 . . . . 10.0 112.665 -178.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -54.97 -63.74 2.67 Favored Pre-proline 0 CA--C 1.531 0.222 0 N-CA-C 112.383 0.512 . . . . 10.0 112.383 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -62.49 -29.07 78.28 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 122.114 1.876 . . . . 10.0 112.465 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -70.91 -53.51 14.79 Favored 'General case' 0 C--O 1.222 -0.381 0 C-N-CA 121.127 -0.229 . . . . 10.0 110.799 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 62.8 mt -59.67 -43.26 94.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.756 -0.202 . . . . 10.0 110.964 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -62.45 -51.55 67.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.379 -0.373 . . . . 10.0 110.493 179.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.32 -36.61 84.57 Favored 'General case' 0 CA--C 1.521 -0.14 0 CA-C-O 120.788 0.328 . . . . 10.0 111.492 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 23.0 mt -62.02 -46.26 89.99 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.752 -0.462 . . . . 10.0 109.752 178.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 25.8 mtt85 -68.77 -43.63 75.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.352 -0.386 . . . . 10.0 110.237 179.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -64.12 -19.26 65.14 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.301 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -96.84 -33.12 6.2 Favored Glycine 0 N--CA 1.443 -0.834 0 N-CA-C 110.662 -0.975 . . . . 10.0 110.662 178.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 11.1 mt -73.8 -41.12 62.82 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 122.344 0.258 . . . . 10.0 111.627 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 96.1 mt -50.32 -60.18 5.77 Favored Pre-proline 0 CA--C 1.537 0.459 0 N-CA-C 112.455 0.539 . . . . 10.0 112.455 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -70.45 -30.03 19.67 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 121.851 1.701 . . . . 10.0 112.342 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -70.04 -32.93 53.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 120.558 -0.457 . . . . 10.0 110.74 179.663 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 51.1 mt -65.43 -38.73 90.76 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 108.93 -0.767 . . . . 10.0 108.93 178.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -63.45 -42.97 98.66 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.948 -0.76 . . . . 10.0 108.948 178.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 51.1 m -64.76 -40.46 95.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.705 -0.679 . . . . 10.0 110.087 178.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -63.98 -40.69 96.95 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.101 -0.5 . . . . 10.0 109.818 178.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -56.95 -47.86 79.7 Favored 'General case' 0 C--O 1.225 -0.197 0 CA-C-N 115.866 -0.607 . . . . 10.0 109.89 179.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 60.5 t -59.34 -43.48 90.19 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.715 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 1.4 p -71.96 -27.48 62.81 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.088 0.47 . . . . 10.0 111.223 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -79.58 -44.71 20.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.766 179.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 88.6 mt -60.51 -46.86 88.57 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.794 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 8.2 p -62.05 -34.81 76.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.232 0.539 . . . . 10.0 110.158 179.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -68.61 -47.64 66.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.735 -0.666 . . . . 10.0 109.736 179.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 71.5 mt -57.76 -48.41 79.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 10.0 111.009 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -57.84 -50.11 74.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.832 -0.622 . . . . 10.0 111.422 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -68.64 -41.89 78.76 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.809 0.67 . . . . 10.0 112.809 -179.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -59.82 -40.07 87.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.778 0.323 . . . . 10.0 110.975 179.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 19.0 m -68.64 -29.58 68.1 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.096 0.474 . . . . 10.0 110.452 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -75.35 -36.93 60.9 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.087 0.47 . . . . 10.0 110.601 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 11.1 mptt -74.1 -32.11 63.08 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.836 -0.62 . . . . 10.0 111.176 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 95.8 mt -105.08 26.04 9.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.099 -0.501 . . . . 10.0 111.673 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 . . . . . 0 C--N 1.323 -0.577 0 CA-C-N 116.511 -0.313 . . . . 10.0 111.041 -179.954 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--O 1.233 0.202 0 CA-C-O 120.926 0.393 . . . . 10.0 110.512 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.99 134.11 55.16 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.903 -0.59 . . . . 10.0 109.958 179.223 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -95.01 139.83 30.82 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.418 -0.355 . . . . 10.0 110.993 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -133.94 113.99 12.79 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.288 -0.415 . . . . 10.0 110.74 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 45.8 mttm -79.72 115.46 19.34 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.648 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 18.8 mt -112.75 111.79 22.82 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.796 -179.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 45.6 t -100.41 123.56 53.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 110.056 -0.35 . . . . 10.0 110.056 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 2.9 t -88.62 115.39 28.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.123 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 28.0 m -113.84 146.52 18.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.974 0.416 . . . . 10.0 111.316 -179.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.31 -163.05 34.23 Favored Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 110.818 -0.913 . . . . 10.0 110.818 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -94.74 -177.0 4.05 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.003 0.43 . . . . 10.0 110.984 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -97.29 136.78 37.28 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.022 0.439 . . . . 10.0 110.369 179.356 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 95.94 6.86 59.0 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.72 -0.752 . . . . 10.0 111.772 -179.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 33.9 m -89.97 -27.66 5.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.673 0.273 . . . . 10.0 111.654 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 110.06 22.8 6.38 Favored Glycine 0 CA--C 1.518 0.257 0 C-N-CA 120.321 -0.943 . . . . 10.0 114.383 179.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 5.8 mtmt -59.44 -33.43 71.26 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.084 0.469 . . . . 10.0 111.908 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 17.4 m -79.97 -43.39 22.14 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.613 -0.514 . . . . 10.0 109.613 179.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.69 -46.7 83.97 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 115.834 -0.621 . . . . 10.0 111.124 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 69.1 mt -57.97 -45.45 86.69 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.102 0.477 . . . . 10.0 110.569 178.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 32.5 m -65.72 -44.22 86.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.439 -0.8 . . . . 10.0 111.578 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 87.7 mt -64.69 -39.35 85.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.333 -0.394 . . . . 10.0 110.607 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -62.4 -27.47 69.11 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.925 -0.58 . . . . 10.0 111.295 179.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 14.2 tp -86.6 -17.6 33.51 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.9 0.381 . . . . 10.0 110.831 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 36.1 mm -97.44 -67.53 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 112.139 0.422 . . . . 10.0 112.139 -179.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -90.2 -11.13 41.95 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.892 0.331 . . . . 10.0 111.892 -178.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 60.18 46.25 10.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.766 -0.652 . . . . 10.0 112.656 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -147.06 148.02 31.22 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 116.161 -0.472 . . . . 10.0 109.858 178.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -90.31 138.18 31.74 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.098 0.475 . . . . 10.0 111.687 -179.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 2.7 m -106.44 107.22 22.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.581 -0.736 . . . . 10.0 110.041 179.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -75.29 -25.42 57.91 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.141 -0.482 . . . . 10.0 110.534 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -79.07 130.07 35.12 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.177 -0.675 . . . . 10.0 109.177 179.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -90.27 115.73 27.71 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.355 0.598 . . . . 10.0 110.942 -179.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -110.71 128.57 25.12 Favored Pre-proline 0 C--N 1.319 -0.736 0 CA-C-N 115.633 -0.712 . . . . 10.0 110.468 179.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -66.55 85.14 0.29 Allowed 'Trans proline' 0 C--O 1.233 0.251 0 C-N-CA 122.677 2.251 . . . . 10.0 111.94 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.61 109.43 7.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.778 -0.646 . . . . 10.0 110.342 179.468 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 47.4 mm -85.44 -50.38 14.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.855 0.359 . . . . 10.0 110.532 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -160.79 106.22 1.42 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.004 -0.543 . . . . 10.0 110.53 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -144.6 134.08 23.28 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.285 -0.416 . . . . 10.0 109.911 179.706 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 6.1 p -116.26 162.94 16.73 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.379 -0.373 . . . . 10.0 111.168 -179.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -140.52 148.64 41.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.347 -179.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -117.79 133.13 56.25 Favored 'General case' 0 C--O 1.236 0.376 0 O-C-N 123.32 0.388 . . . . 10.0 110.243 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 46.4 tttp -150.2 142.21 23.94 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 110.132 -0.322 . . . . 10.0 110.132 -179.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -117.86 120.88 39.24 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.834 -0.432 . . . . 10.0 109.834 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 3.6 m -134.5 159.14 42.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.99 0.424 . . . . 10.0 112.094 -179.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 9.7 t -97.32 89.63 2.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 109.285 -0.635 . . . . 10.0 109.285 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 49.9 mt -89.19 119.58 36.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.597 -178.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 68.66 -71.73 0.11 Allowed 'General case' 0 N--CA 1.468 0.471 0 O-C-N 123.84 0.712 . . . . 10.0 110.712 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -164.16 15.42 0.1 Allowed Glycine 0 N--CA 1.449 -0.488 0 N-CA-C 110.569 -1.012 . . . . 10.0 110.569 178.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -128.98 134.61 48.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.806 0.336 . . . . 10.0 110.907 -179.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 18.1 m -81.08 108.91 15.15 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.995 -0.743 . . . . 10.0 108.995 178.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 6.1 m -107.64 140.06 41.23 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.018 -0.537 . . . . 10.0 112.056 -178.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 36.3 tp -97.46 115.71 28.3 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.529 -0.915 . . . . 10.0 108.529 178.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 29.6 mt -82.7 120.36 25.49 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.912 -0.585 . . . . 10.0 112.257 -178.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -108.97 63.88 0.61 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.727 -1.212 . . . . 10.0 107.727 178.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 42.3 mt -78.7 140.71 16.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 114.7 -1.136 . . . . 10.0 112.535 -177.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 11.3 tp -144.78 123.29 12.43 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.532 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -103.24 129.53 50.21 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.849 -0.426 . . . . 10.0 109.849 179.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.76 162.07 14.81 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.615 -0.266 . . . . 10.0 110.601 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.49 121.95 19.57 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.376 0.607 . . . . 10.0 112.043 -179.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -93.46 35.92 3.94 Favored Glycine 0 N--CA 1.449 -0.483 0 N-CA-C 110.781 -0.927 . . . . 10.0 110.781 178.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -96.68 11.06 36.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.555 -0.323 . . . . 10.0 111.182 -179.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 65.75 -172.49 0.19 Allowed 'General case' 0 N--CA 1.464 0.273 0 O-C-N 123.693 0.62 . . . . 10.0 112.19 -179.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 66.19 28.81 10.0 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.711 0.767 . . . . 10.0 110.184 -178.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -130.72 37.75 3.78 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.337 -0.847 . . . . 10.0 110.13 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.71 -44.49 90.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.84 -0.618 . . . . 10.0 111.029 179.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.07 -38.27 61.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.106 0.479 . . . . 10.0 110.691 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 43.0 tpp -66.22 -33.84 76.67 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.67 179.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 1.5 tpp180 -57.1 -47.83 80.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.73 -0.668 . . . . 10.0 110.836 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.84 -21.06 65.66 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.666 -0.697 . . . . 10.0 112.383 -179.029 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -75.65 -67.25 0.69 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.925 0.713 . . . . 10.0 112.925 -178.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 18.7 p90 -67.62 -23.95 65.42 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 113.878 1.066 . . . . 10.0 113.878 -178.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 43.8 mtt -70.04 -25.49 63.59 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 111.79 0.293 . . . . 10.0 111.79 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -71.2 -44.78 64.74 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.057 0.456 . . . . 10.0 110.939 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 4.1 m -79.02 -23.85 44.05 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.941 -0.572 . . . . 10.0 112.38 -179.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -63.26 133.57 42.5 Favored Glycine 0 CA--C 1.521 0.407 0 C-N-CA 121.326 -0.464 . . . . 10.0 113.619 -179.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -91.1 -54.18 4.05 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.869 -0.419 . . . . 10.0 109.869 179.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -118.18 142.74 17.25 Favored Glycine 0 N--CA 1.446 -0.684 0 N-CA-C 110.923 -0.871 . . . . 10.0 110.923 179.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -116.74 124.42 49.6 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.415 0.626 . . . . 10.0 112.052 -178.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 13.1 tp -97.85 110.37 22.95 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.617 -0.72 . . . . 10.0 109.74 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 21.5 m -86.61 99.29 11.61 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.845 -0.428 . . . . 10.0 109.845 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 94.5 t -105.55 122.66 59.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 112.215 0.45 . . . . 10.0 112.215 -179.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 43.1 p90 -129.71 165.24 22.25 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.038 -0.727 . . . . 10.0 109.038 178.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -103.97 135.0 46.31 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 110.318 -0.253 . . . . 10.0 110.318 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 16.3 pt -68.27 -14.05 17.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.886 0.374 . . . . 10.0 111.305 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 22.3 p-10 -105.64 14.12 28.88 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.261 179.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -135.58 97.2 3.61 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.287 0.565 . . . . 10.0 110.784 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.36 -32.68 73.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.943 -0.571 . . . . 10.0 111.863 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 20.2 tptp -62.74 -44.91 94.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.338 -0.392 . . . . 10.0 110.73 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 90.2 p -64.35 -35.02 79.52 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.838 0.352 . . . . 10.0 111.792 -179.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -63.2 -46.1 88.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.805 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -74.05 -33.67 63.79 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.034 -0.53 . . . . 10.0 111.136 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.91 -27.92 67.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.951 -0.568 . . . . 10.0 111.436 -179.45 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 34.7 mm -59.43 -39.36 78.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.054 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -62.3 -41.61 98.66 Favored 'General case' 0 C--O 1.232 0.179 0 N-CA-C 109.964 -0.384 . . . . 10.0 109.964 179.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 70.8 m-70 -63.47 -40.14 96.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.872 -0.604 . . . . 10.0 110.195 179.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -65.26 -41.03 94.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.87 -0.604 . . . . 10.0 109.794 178.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -57.66 -46.89 83.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.729 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -66.09 -35.4 80.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.758 -0.656 . . . . 10.0 110.633 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -64.72 -51.9 59.96 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.55 179.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 68.3 mt -55.82 -45.35 79.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-N 116.028 -0.533 . . . . 10.0 111.076 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 14.6 mtmt -60.92 -34.08 74.14 Favored 'General case' 0 CA--C 1.522 -0.113 0 CA-C-N 116.11 -0.496 . . . . 10.0 111.943 -179.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -78.77 -42.05 28.97 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.461 -0.336 . . . . 10.0 111.128 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 97.1 t -63.57 -51.99 63.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.504 -0.316 . . . . 10.0 111.538 -179.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -81.91 -23.06 36.45 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.437 0.532 . . . . 10.0 112.437 -178.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 25.0 t70 63.15 79.64 0.25 Allowed 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 116.066 -0.515 . . . . 10.0 110.654 -179.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 33.3 t -170.96 150.01 3.05 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.748 -0.66 . . . . 10.0 109.59 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -90.68 -23.96 20.59 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.592 0.711 . . . . 10.0 109.223 178.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.86 113.43 26.91 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.434 -0.803 . . . . 10.0 109.842 179.36 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 88.0 t -133.24 127.27 19.85 Favored Pre-proline 0 C--N 1.325 -0.461 0 N-CA-C 109.331 -0.618 . . . . 10.0 109.331 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo -66.72 101.93 0.59 Allowed 'Trans proline' 0 C--O 1.236 0.406 0 C-N-CA 122.796 2.331 . . . . 10.0 111.613 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 43.6 mtm -132.49 155.43 48.59 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.811 -0.632 . . . . 10.0 111.095 -179.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 77.5 t -136.39 128.68 45.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 108.839 -0.8 . . . . 10.0 108.839 179.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 15.2 tp -87.41 113.65 23.3 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.513 -0.551 . . . . 10.0 109.513 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 89.4 t -119.88 122.13 67.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-O 121.076 0.465 . . . . 10.0 111.82 -178.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -99.66 124.91 8.39 Favored Glycine 0 N--CA 1.442 -0.954 0 N-CA-C 109.552 -1.419 . . . . 10.0 109.552 178.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -105.85 164.18 12.14 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 117.071 0.435 . . . . 10.0 111.196 -179.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 45.7 mttm 69.52 30.8 3.92 Favored 'General case' 0 N--CA 1.461 0.111 0 O-C-N 123.853 0.721 . . . . 10.0 111.762 179.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 88.4 m -66.53 -19.92 65.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.326 -0.397 . . . . 10.0 111.663 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.03 -13.94 60.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.3 -0.409 . . . . 10.0 111.437 179.618 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 63.0 mt -76.93 139.93 66.36 Favored Pre-proline 0 N--CA 1.454 -0.26 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.685 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_endo -80.24 164.11 22.04 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 122.666 2.244 . . . . 10.0 112.204 179.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 1.4 m 59.54 57.36 3.31 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.786 -0.643 . . . . 10.0 111.253 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -62.64 131.57 49.43 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.894 -0.594 . . . . 10.0 111.73 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 1.8 m -82.66 -40.99 19.95 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.596 -0.729 . . . . 10.0 109.503 179.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 62.7 t -93.92 129.44 44.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.064 -0.516 . . . . 10.0 109.726 179.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -88.07 142.71 27.56 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.183 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 9.9 m -62.4 -39.31 92.83 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.279 -0.418 . . . . 10.0 111.499 -179.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -61.72 -44.66 96.49 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.18 0.437 . . . . 10.0 112.18 -178.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -67.48 -29.75 69.27 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.586 -0.446 . . . . 10.0 111.091 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -74.72 -35.42 62.68 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.553 -0.536 . . . . 10.0 109.553 178.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -65.2 -42.05 93.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.453 179.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -62.55 -41.87 99.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.095 -0.502 . . . . 10.0 109.81 178.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 14.8 tp -64.32 -44.48 91.43 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.861 -0.609 . . . . 10.0 109.564 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.13 -38.85 92.79 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.303 178.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 8.0 ttm180 -64.11 -35.05 79.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.859 -0.609 . . . . 10.0 110.195 179.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 15.7 m -69.08 -36.63 77.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.719 -0.673 . . . . 10.0 110.717 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -79.09 -42.44 26.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.018 0.437 . . . . 10.0 110.26 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 107.67 -1.53 34.21 Favored Glycine 0 N--CA 1.449 -0.449 0 N-CA-C 110.702 -0.959 . . . . 10.0 110.702 -178.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 42.7 pt -90.28 160.16 40.39 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 115.341 -0.429 . . . . 10.0 111.293 -179.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -82.39 152.16 15.64 Favored 'Trans proline' 0 N--CA 1.46 -0.494 0 C-N-CA 123.028 2.485 . . . . 10.0 111.904 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -119.76 128.57 53.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.369 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 31.5 mt -129.47 132.17 66.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.466 -0.334 . . . . 10.0 111.363 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -96.88 124.66 40.92 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.051 -0.722 . . . . 10.0 109.051 178.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 27.0 p -142.81 176.01 9.38 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.617 0.599 . . . . 10.0 112.617 -178.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -149.19 119.79 7.47 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-N 114.911 -1.04 . . . . 10.0 108.888 178.433 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -65.74 -38.59 89.54 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.951 0.405 . . . . 10.0 110.55 -179.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 17.9 ttpt -62.95 -31.52 72.63 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.619 -0.718 . . . . 10.0 112.001 -179.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.87 -14.1 30.24 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 112.938 0.718 . . . . 10.0 112.938 -178.553 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 3.1 tpm_? 59.15 39.0 23.49 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 121.64 0.733 . . . . 10.0 110.335 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -124.69 131.01 53.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.899 -0.591 . . . . 10.0 111.616 -179.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 77.88 -16.37 6.98 Favored Glycine 0 C--N 1.333 0.373 0 CA-C-N 115.894 -0.593 . . . . 10.0 114.117 178.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 45.2 t -60.93 -40.25 84.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 120.807 0.337 . . . . 10.0 111.769 -178.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -62.67 -39.57 94.35 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.596 -0.52 . . . . 10.0 109.596 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -70.1 -36.4 74.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.31 -0.859 . . . . 10.0 111.961 -178.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -56.57 -49.45 74.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.522 -0.308 . . . . 10.0 111.105 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -68.4 -38.8 81.62 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 116.123 -0.49 . . . . 10.0 110.344 179.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -58.34 -42.15 86.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.918 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 23.7 m -64.73 -41.61 95.82 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.725 -0.67 . . . . 10.0 111.62 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 36.0 tp -60.1 -42.56 94.93 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.928 0.394 . . . . 10.0 110.961 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 96.7 t -65.39 -40.47 88.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.209 0.528 . . . . 10.0 110.483 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 11.3 ttp180 -65.56 -33.61 76.32 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.653 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 162' ' ' GLU . . . . . 0.463 ' CD ' ' HZ1' ' B' ' 165' ' ' LYS . 12.1 mm-40 -65.84 -35.81 81.71 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.496 179.315 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 58.0 mt -65.94 -35.52 75.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.086 0.469 . . . . 10.0 110.058 178.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 14.7 mtt85 -67.75 -32.97 73.93 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.326 -0.62 . . . . 10.0 109.326 178.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 165' ' ' LYS . . . . . 0.463 ' HZ1' ' CD ' ' B' ' 162' ' ' GLU . 18.2 ttmt . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 108.787 -0.82 . . . . 10.0 108.787 178.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 CA--C 1.529 0.172 0 CA-C-O 120.732 0.301 . . . . 10.0 110.892 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.63 126.74 31.51 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 116.577 -0.283 . . . . 10.0 110.296 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -90.09 135.13 33.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.773 0.32 . . . . 10.0 111.013 -179.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -131.43 114.74 15.32 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.132 -0.485 . . . . 10.0 109.826 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 58.5 mttm -85.39 112.23 20.65 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.907 0.384 . . . . 10.0 110.915 -179.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 13.7 mt -116.6 129.87 56.41 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.979 -178.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 39.3 t -120.33 130.0 74.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.346 -0.388 . . . . 10.0 110.456 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 3.1 t -95.98 119.69 44.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 109.33 -0.619 . . . . 10.0 109.33 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 29.6 m -120.19 149.72 22.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.9 0.381 . . . . 10.0 111.136 -179.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 153.79 161.47 10.42 Favored Glycine 0 N--CA 1.448 -0.539 0 CA-C-N 115.703 -0.68 . . . . 10.0 111.759 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.52 155.16 22.73 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.015 0.436 . . . . 10.0 111.002 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.17 144.08 40.74 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.905 0.383 . . . . 10.0 110.803 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 97.88 -22.82 38.83 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.458 -0.877 . . . . 10.0 112.835 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 3.4 m -76.95 -17.43 14.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.78 0.29 . . . . 10.0 111.75 -179.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 98.64 118.97 4.05 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.416 -0.897 . . . . 10.0 112.378 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 17.7 mtmm -151.81 -49.47 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.232 0.539 . . . . 10.0 109.832 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.08 -43.97 77.35 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 115.71 -0.677 . . . . 10.0 110.034 179.616 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.44 -41.76 85.81 Favored 'General case' 0 CA--C 1.528 0.103 0 CA-C-N 116.222 -0.445 . . . . 10.0 110.793 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 78.6 mt -57.6 -46.65 83.8 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 121.28 0.562 . . . . 10.0 110.34 178.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 5.3 m -70.36 -43.51 70.03 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.458 -0.792 . . . . 10.0 111.024 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 92.5 mt -62.04 -31.72 52.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.276 -0.42 . . . . 10.0 111.056 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -63.87 -17.49 63.22 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.165 0.431 . . . . 10.0 112.165 179.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 17.6 tp -104.97 -30.06 10.05 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.22 -0.445 . . . . 10.0 110.216 179.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 41.6 mm -80.29 -66.02 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.068 -0.515 . . . . 10.0 110.914 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -91.34 -10.65 40.51 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.198 -0.455 . . . . 10.0 110.495 -179.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 56.2 m-80 60.05 51.56 5.72 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.099 -0.955 . . . . 10.0 113.415 178.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 3.2 p80 -156.25 155.18 31.91 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.755 -0.202 . . . . 10.0 111.345 178.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -94.39 119.43 33.12 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.976 0.417 . . . . 10.0 111.871 -179.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 44.2 t -92.71 99.69 10.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.596 -0.729 . . . . 10.0 109.47 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -77.19 -28.19 53.88 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.061 -0.518 . . . . 10.0 111.794 -179.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -76.41 106.62 8.14 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.352 -0.385 . . . . 10.0 110.422 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -58.85 119.43 7.17 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.101 0.477 . . . . 10.0 111.629 -179.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -131.81 111.54 14.73 Favored Pre-proline 0 C--N 1.32 -0.696 0 CA-C-N 115.824 -0.625 . . . . 10.0 109.944 178.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -48.51 137.71 25.32 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 123.352 2.701 . . . . 10.0 112.699 -179.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.64 95.15 3.42 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.718 -0.673 . . . . 10.0 110.326 -179.659 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 4.5 tt -75.68 -37.63 36.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.898 -0.592 . . . . 10.0 111.501 -179.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -155.4 114.42 3.57 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.253 -0.43 . . . . 10.0 110.31 -179.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -158.73 125.37 4.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.501 -0.318 . . . . 10.0 110.241 179.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 1.3 p -119.83 137.33 54.05 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.014 0.435 . . . . 10.0 111.407 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -118.32 143.87 46.28 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.0 -0.546 . . . . 10.0 109.852 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -117.81 132.31 56.46 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.459 -0.337 . . . . 10.0 110.336 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 59.0 tttp -146.7 135.87 22.62 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.758 -179.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -108.89 118.39 36.66 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.28 -0.637 . . . . 10.0 109.28 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 15.1 m -133.98 162.68 38.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.915 0.388 . . . . 10.0 111.777 -179.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 84.8 t -93.61 112.35 26.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.246 -0.434 . . . . 10.0 110.119 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 71.9 mt -124.99 124.1 66.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 109.708 -0.478 . . . . 10.0 109.708 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 63.68 25.74 14.33 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 123.581 0.551 . . . . 10.0 111.453 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 79.28 22.38 65.33 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.886 -0.673 . . . . 10.0 112.142 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -136.81 130.33 31.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.472 0.177 . . . . 10.0 110.642 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.27 117.23 11.57 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.406 -0.59 . . . . 10.0 109.406 178.749 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 4.4 m -113.43 135.66 53.64 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.503 -0.317 . . . . 10.0 111.555 -178.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 63.3 tp -98.37 104.13 16.14 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 107.513 -1.291 . . . . 10.0 107.513 178.113 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 52.3 mt -91.3 126.8 36.49 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 113.023 0.749 . . . . 10.0 113.023 -177.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -107.91 93.93 4.8 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 107.021 -1.474 . . . . 10.0 107.021 177.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 1.8 mp -100.47 129.65 50.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.315 -0.402 . . . . 10.0 111.796 -177.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 8.9 tp -122.44 128.16 50.55 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.82 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -96.73 132.73 42.12 Favored 'General case' 0 CA--C 1.519 -0.227 0 N-CA-C 108.761 -0.829 . . . . 10.0 108.761 178.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 30.4 p -111.09 154.44 24.25 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.905 0.383 . . . . 10.0 110.518 -179.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -78.6 130.5 35.99 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.104 0.478 . . . . 10.0 110.637 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -92.0 27.04 10.72 Favored Glycine 0 N--CA 1.447 -0.603 0 N-CA-C 111.138 -0.785 . . . . 10.0 111.138 179.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -77.02 -7.96 56.58 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 122.426 0.29 . . . . 10.0 111.043 -179.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 62' ' ' GLU . . . . . 0.445 ' CD ' HH12 ' C' ' 68' ' ' ARG . 16.6 mm-40 67.98 -170.17 0.19 Allowed 'General case' 0 C--O 1.234 0.265 0 O-C-N 123.782 0.676 . . . . 10.0 110.677 -178.304 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 63.16 39.82 9.47 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-O 121.374 0.607 . . . . 10.0 110.348 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -128.79 45.05 2.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.371 -0.831 . . . . 10.0 108.838 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -52.69 -39.01 61.54 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.889 -1.051 . . . . 10.0 113.075 -178.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -97.69 -35.34 10.6 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.211 0.448 . . . . 10.0 112.211 -179.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 23.3 ttt -60.74 -34.07 73.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.402 -0.363 . . . . 10.0 111.341 -179.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 68' ' ' ARG . . . . . 0.445 HH12 ' CD ' ' C' ' 62' ' ' GLU . 3.1 tpp180 -59.91 -45.85 91.24 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.886 0.374 . . . . 10.0 111.439 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -56.55 -35.38 68.07 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.565 -0.743 . . . . 10.0 112.192 -179.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -59.09 -57.1 14.55 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 112.471 0.545 . . . . 10.0 112.471 -179.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 71' ' ' TYR . . . . . . . . . . . . . 14.5 p90 -78.34 -27.98 47.14 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 113.231 0.826 . . . . 10.0 113.231 -178.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 47.7 mtt -65.8 -27.65 68.42 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.41 0.624 . . . . 10.0 111.022 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 6.4 ttm180 -81.58 -16.84 50.36 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.709 -0.678 . . . . 10.0 110.646 179.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 13.5 m -98.11 -48.53 5.08 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.475 0.546 . . . . 10.0 112.475 -179.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -62.17 149.9 47.13 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 121.233 -0.508 . . . . 10.0 113.954 -179.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -102.86 -55.23 2.47 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.818 -0.438 . . . . 10.0 109.818 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -106.17 123.05 7.3 Favored Glycine 0 N--CA 1.443 -0.874 0 N-CA-C 111.109 -0.796 . . . . 10.0 111.109 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 78' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -107.16 130.71 54.67 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.135 0.493 . . . . 10.0 111.291 -179.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 7.2 tp -99.69 113.49 25.99 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.256 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 3.7 m -88.73 103.89 16.38 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.076 -0.511 . . . . 10.0 109.661 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 18.8 t -106.3 137.4 36.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.292 0.567 . . . . 10.0 111.751 -178.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -143.55 160.57 40.38 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.528 -0.76 . . . . 10.0 108.95 178.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -96.31 134.17 39.77 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.889 -0.325 . . . . 10.0 110.129 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 84' ' ' ILE . . . . . . . . . . . . . 18.8 pt -60.86 -22.05 25.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 112.267 0.469 . . . . 10.0 112.267 -179.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -108.47 23.83 13.94 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.254 0.55 . . . . 10.0 110.716 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 40.9 t-20 -139.76 96.29 3.05 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.78 -0.645 . . . . 10.0 110.012 179.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 4.8 m -64.96 -32.45 74.18 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.844 -0.616 . . . . 10.0 111.446 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 19.9 tptp -56.49 -48.38 77.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.259 -0.428 . . . . 10.0 110.721 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 56.9 p -64.25 -31.52 72.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.869 -0.605 . . . . 10.0 111.53 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -68.68 -42.75 77.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.999 0.428 . . . . 10.0 110.251 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -65.94 -36.36 83.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.769 -0.65 . . . . 10.0 110.392 179.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.19 -25.92 68.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.481 -0.781 . . . . 10.0 112.079 -179.592 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 40.8 mm -55.19 -42.75 67.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 O-C-N 123.257 0.348 . . . . 10.0 110.702 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -60.58 -49.84 75.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.217 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -60.22 -46.98 87.9 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.878 -0.601 . . . . 10.0 111.5 -179.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -60.89 -43.07 99.01 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.614 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 15.1 ttt-85 -61.43 -47.41 85.87 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.249 -0.432 . . . . 10.0 111.05 -179.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -64.0 -38.18 90.15 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.197 -0.456 . . . . 10.0 111.646 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -66.39 -43.28 86.27 Favored 'General case' 0 C--N 1.331 -0.198 0 O-C-N 123.151 0.282 . . . . 10.0 110.765 179.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 84.6 mt -56.44 -46.14 82.02 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 CA-C-O 121.065 0.46 . . . . 10.0 109.883 179.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? -66.26 -28.36 68.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.626 -0.715 . . . . 10.0 111.713 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? -76.74 -40.05 49.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.17 0.51 . . . . 10.0 109.997 179.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 72.1 t -67.05 -47.57 81.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.067 -0.515 . . . . 10.0 111.038 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -80.31 -13.05 59.5 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.286 -0.416 . . . . 10.0 111.551 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 31.2 t0 58.58 45.56 16.01 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.763 -0.653 . . . . 10.0 111.123 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 7.4 t -148.9 154.52 39.56 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.815 -0.63 . . . . 10.0 110.085 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -98.03 -15.34 20.09 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.117 0.484 . . . . 10.0 110.431 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -106.9 96.41 6.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.758 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 46.9 t -129.77 128.47 22.98 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 115.847 -0.615 . . . . 10.0 109.655 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -64.97 112.4 2.01 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.741 2.294 . . . . 10.0 111.478 179.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 111' ' ' MET . . . . . . . . . . . . . 44.5 mtm -138.79 152.79 48.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.397 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 88.5 t -133.21 130.75 57.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.032 -0.531 . . . . 10.0 109.84 179.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 30.0 tp -90.0 122.47 33.04 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.586 -0.524 . . . . 10.0 109.586 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 93.0 t -125.75 129.97 72.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.041 0.448 . . . . 10.0 111.703 -178.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -102.83 107.72 3.15 Favored Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 110.228 -1.149 . . . . 10.0 110.228 178.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -87.42 162.19 17.44 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-O 120.841 0.353 . . . . 10.0 111.631 -178.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 86.0 mttt 64.4 34.81 10.11 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.42 -0.809 . . . . 10.0 111.726 179.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 118' ' ' CYS . . . . . . . . . . . . . 1.6 m -67.63 -8.9 38.45 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.277 -0.419 . . . . 10.0 112.074 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -91.32 5.06 50.72 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.499 -0.318 . . . . 10.0 110.819 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 33.2 mt -91.09 145.44 31.65 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 116.344 -0.389 . . . . 10.0 110.697 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -84.62 164.27 12.32 Favored 'Trans proline' 0 N--CA 1.46 -0.445 0 C-N-CA 122.617 2.212 . . . . 10.0 111.548 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 18.4 m 57.93 56.5 4.67 Favored 'General case' 0 C--O 1.233 0.199 0 O-C-N 123.828 0.705 . . . . 10.0 111.836 179.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 5.7 ptp180 -68.73 141.1 55.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.821 -0.627 . . . . 10.0 110.822 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -93.27 -39.31 11.05 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.972 -179.513 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 46.7 t -94.73 129.43 44.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.929 0.395 . . . . 10.0 110.386 179.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -84.51 150.51 25.21 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.186 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 7.0 m -67.82 -35.21 78.21 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.602 -0.272 . . . . 10.0 111.024 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -50.66 73.24 Favored 'General case' 0 C--O 1.227 -0.094 0 CA-C-N 116.352 -0.386 . . . . 10.0 111.494 -179.574 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -63.68 -35.85 81.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.732 0.301 . . . . 10.0 111.498 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.7 -39.4 84.38 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.052 0.453 . . . . 10.0 109.861 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -72.05 -44.03 63.99 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.924 -0.58 . . . . 10.0 111.115 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -60.27 -39.71 87.78 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.655 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 26.8 tp -67.99 -44.3 76.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 10.0 109.96 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.79 -32.74 74.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.673 -0.694 . . . . 10.0 110.192 179.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -58.0 -48.58 79.61 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.552 -0.749 . . . . 10.0 110.633 179.379 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 13.1 m -73.29 -22.89 60.25 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.941 -0.572 . . . . 10.0 111.318 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 7.4 m-30 -80.14 -27.03 39.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.238 0.542 . . . . 10.0 109.827 179.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 85.03 19.29 59.5 Favored Glycine 0 C--N 1.32 -0.347 0 N-CA-C 111.275 -0.73 . . . . 10.0 111.275 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 39.2 pt -117.21 157.93 45.77 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 115.845 -0.178 . . . . 10.0 110.594 -179.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -85.7 159.62 10.61 Favored 'Trans proline' 0 N--CA 1.462 -0.344 0 C-N-CA 122.532 2.155 . . . . 10.0 112.411 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -125.25 132.14 53.0 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.148 -0.478 . . . . 10.0 109.769 179.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 19.6 mt -128.72 139.29 52.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.444 -0.343 . . . . 10.0 110.703 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -98.39 128.23 44.69 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.727 -0.842 . . . . 10.0 108.727 178.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 41.9 p -133.41 -177.28 4.46 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.717 0.77 . . . . 10.0 112.887 -178.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 5.6 t -167.94 116.31 0.75 Allowed 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 107.208 -1.404 . . . . 10.0 107.208 179.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.18 -22.41 61.29 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.497 -0.557 . . . . 10.0 109.497 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -65.65 -43.65 88.78 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.389 -0.823 . . . . 10.0 111.29 179.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 12.6 p -100.83 -17.48 16.86 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.508 -0.315 . . . . 10.0 111.761 -179.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 67.43 9.85 7.32 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-O 121.895 0.855 . . . . 10.0 110.751 -178.406 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -71.6 105.96 3.85 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.743 -1.117 . . . . 10.0 112.001 -178.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 86.79 4.22 82.68 Favored Glycine 0 CA--C 1.517 0.205 0 C-N-CA 120.933 -0.651 . . . . 10.0 114.188 178.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 72.2 t -62.32 -43.22 97.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 117.207 0.503 . . . . 10.0 111.432 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.66 -29.14 68.35 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.321 -0.4 . . . . 10.0 111.717 -179.354 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -58.34 -34.78 71.02 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.825 0.345 . . . . 10.0 110.925 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.75 -39.3 91.11 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.115 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -69.7 -45.52 68.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.275 179.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 55.2 m-85 -58.29 -49.33 77.51 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.327 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 43.4 m -66.52 -40.21 89.06 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.38 -0.827 . . . . 10.0 112.188 -179.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 16.8 tp -59.68 -42.93 94.02 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.976 0.417 . . . . 10.0 110.751 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 92.1 t -68.05 -36.43 75.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.043 178.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 28.2 ttp-105 -62.13 -37.47 85.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.715 -0.675 . . . . 10.0 110.822 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -64.34 -45.14 89.15 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.189 -0.459 . . . . 10.0 110.311 179.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 65.6 mt -63.28 -39.87 86.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.126 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 46.1 mtt85 -60.8 -47.7 85.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.326 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 44.2 mtmt -60.58 -38.02 83.24 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 120.971 0.415 . . . . 10.0 110.514 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -65.04 -23.67 67.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.365 -0.834 . . . . 10.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 96.2 mttt . . . . . 0 C--N 1.325 -0.496 0 CA-C-N 116.184 -0.462 . . . . 10.0 111.321 -179.858 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 5.3 tmtm? . . . . . 0 CA--C 1.527 0.093 0 CA-C-O 120.912 0.387 . . . . 10.0 111.111 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 43.4 mt -67.64 -36.77 81.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.517 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 33.4 mt -68.51 -44.85 73.75 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.997 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -70.69 -44.19 67.47 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.342 -0.39 . . . . 10.0 111.763 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.4 -34.38 76.61 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.761 0.315 . . . . 10.0 110.38 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 67.9 t90 -65.49 -35.61 81.4 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 109.352 -0.61 . . . . 10.0 109.352 178.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -61.33 -45.26 95.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.644 -0.707 . . . . 10.0 110.323 179.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.56 -45.79 92.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.115 0.484 . . . . 10.0 110.151 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 94.5 t -59.99 -44.5 94.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.546 -0.752 . . . . 10.0 110.283 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 26.2 m -63.1 -39.97 96.26 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.869 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 15.7 m -63.18 -42.0 99.3 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 109.866 -0.42 . . . . 10.0 109.866 178.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 20.9 m -61.49 -51.81 67.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.05 -0.523 . . . . 10.0 109.687 178.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -56.74 -40.42 75.73 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.085 -0.507 . . . . 10.0 111.427 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 27.6 m -61.83 -50.09 73.66 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.356 -0.384 . . . . 10.0 110.617 179.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 19.3 mttt -62.97 -34.91 78.51 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-N 116.422 -0.354 . . . . 10.0 110.217 179.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.12 -44.05 93.4 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-N 115.905 -0.588 . . . . 10.0 109.795 178.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 6.1 mtp85 -64.94 -37.53 87.95 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.4 -0.364 . . . . 10.0 110.931 179.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -64.13 -35.78 81.87 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.286 178.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -81.53 -32.68 32.18 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 116.066 -0.515 . . . . 10.0 109.972 178.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 18.4 mt -56.23 -33.87 65.79 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.074 -0.512 . . . . 10.0 111.267 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -55.72 -70.2 1.04 Allowed Glycine 0 C--N 1.334 0.42 0 C-N-CA 120.642 -0.79 . . . . 10.0 111.283 178.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -53.06 -39.36 80.03 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.801 2.334 . . . . 10.0 111.347 178.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 31.8 t -58.74 -52.77 56.09 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 O-C-N 123.134 0.272 . . . . 10.0 111.444 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 7.6 p -64.47 -34.79 79.02 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.826 -0.35 . . . . 10.0 110.79 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -66.31 -43.87 85.02 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.77 -0.456 . . . . 10.0 109.77 178.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -65.83 -45.07 83.62 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.802 -0.635 . . . . 10.0 109.874 178.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -60.85 -46.01 92.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.546 178.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -64.36 -35.67 81.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.38 179.412 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -63.31 -47.46 82.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.962 -0.563 . . . . 10.0 109.75 179.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -70.84 -40.63 72.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.486 . . . . 10.0 111.253 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 20.6 mt -62.73 -38.5 90.75 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.506 179.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -67.25 -28.86 68.39 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.432 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 74.3 mttt -70.37 -36.79 74.35 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.172 -1.047 . . . . 10.0 108.172 177.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.75 -48.18 64.4 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.472 -0.786 . . . . 10.0 109.838 178.777 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -63.4 -35.68 81.2 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.401 -0.592 . . . . 10.0 109.401 178.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -59.24 -47.85 83.81 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 108.771 -0.826 . . . . 10.0 108.771 178.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -64.12 -40.48 98.13 Favored Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 110.677 -0.969 . . . . 10.0 110.677 178.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 58.6 mt -63.83 -33.9 76.73 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.604 0.24 . . . . 10.0 110.549 179.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 55.7 mtt180 -69.76 -39.93 76.4 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.797 -0.446 . . . . 10.0 109.797 179.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -69.45 -42.26 75.17 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.944 -0.761 . . . . 10.0 108.944 178.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -66.49 -22.12 66.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.185 -0.916 . . . . 10.0 110.937 179.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 46.3 ttm -64.65 -29.48 70.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.38 0.61 . . . . 10.0 109.483 178.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 1.8 m -80.11 7.76 8.56 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.362 -0.836 . . . . 10.0 110.522 179.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 40.3 mttm -127.69 -61.75 1.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.239 -1.023 . . . . 10.0 108.239 178.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 246' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -54.46 -59.42 4.71 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.914 -1.039 . . . . 10.0 112.003 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . 58.9 mt -79.56 -35.93 39.05 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.92 -179.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -63.01 -48.24 79.64 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 121.107 -0.237 . . . . 10.0 111.246 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -69.75 -33.7 72.8 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 111.639 0.237 . . . . 10.0 111.639 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 250' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -65.1 -28.12 43.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 C-N-CA 120.684 -0.407 . . . . 10.0 110.101 179.226 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -82.93 -42.2 17.94 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-O 121.357 0.599 . . . . 10.0 109.871 178.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -65.33 -32.18 73.7 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.924 -0.58 . . . . 10.0 109.738 179.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 70.4 mttt -90.24 -19.71 23.84 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.874 -0.603 . . . . 10.0 111.218 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 254' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -61.51 -31.08 49.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-O 120.728 0.299 . . . . 10.0 110.627 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -63.97 -62.32 5.43 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.124 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -67.46 -34.09 27.36 Favored 'Trans proline' 0 C--N 1.356 0.924 0 C-N-CA 121.968 1.779 . . . . 10.0 112.477 178.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 5.4 m-30 -63.25 -53.3 55.09 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.03 0.443 . . . . 10.0 110.522 179.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 31.2 mt -66.82 -39.29 87.65 Favored 'General case' 0 C--O 1.219 -0.532 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.181 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -57.03 -51.74 68.06 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 123.408 0.443 . . . . 10.0 111.756 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -58.74 -48.19 82.05 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.383 -0.372 . . . . 10.0 111.142 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -68.7 -35.53 77.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.916 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 -66.71 -41.76 87.44 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.041 -0.726 . . . . 10.0 109.041 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -61.65 -50.62 71.81 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.265 -0.88 . . . . 10.0 108.847 178.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 264' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -62.69 -39.8 95.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.411 -0.813 . . . . 10.0 110.874 179.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -63.31 -42.57 99.03 Favored 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 110.033 -0.358 . . . . 10.0 110.033 178.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -61.51 -45.1 95.63 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 108.818 -0.808 . . . . 10.0 108.818 178.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -60.59 -43.6 97.2 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.806 -0.634 . . . . 10.0 110.002 178.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -61.8 -41.59 97.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.824 -0.625 . . . . 10.0 110.539 179.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 79.6 mmm -67.5 -42.65 82.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.831 -0.622 . . . . 10.0 109.887 179.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -62.07 -44.66 96.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.997 0.427 . . . . 10.0 109.955 178.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 44.0 mt -63.9 -37.84 88.88 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.741 -0.663 . . . . 10.0 109.981 178.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -67.9 -34.91 77.55 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 115.672 -0.694 . . . . 10.0 109.948 178.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 72.2 mtt180 -75.65 -44.0 44.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.656 179.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -60.99 -25.75 67.09 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 116.002 -0.545 . . . . 10.0 109.95 179.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 275' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.22 -46.06 8.29 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.427 178.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 2.4 p -56.02 -32.85 34.46 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.158 0 N-CA-C 113.039 0.755 . . . . 10.0 113.039 -178.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -60.82 -62.31 6.23 Favored Pre-proline 0 CA--C 1.538 0.502 0 N-CA-C 112.018 0.377 . . . . 10.0 112.018 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -68.15 -35.92 18.25 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 121.705 1.603 . . . . 10.0 111.789 178.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 8.4 mt -61.16 -43.93 98.12 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 121.017 -0.273 . . . . 10.0 111.148 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 42.0 mtt180 -63.08 -33.91 76.46 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 109.851 -0.426 . . . . 10.0 109.851 179.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -69.12 -44.49 72.3 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.151 -0.477 . . . . 10.0 109.797 179.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -64.13 -48.01 77.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.917 -0.583 . . . . 10.0 109.775 178.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 77.8 mt -60.14 -39.37 86.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.757 -0.656 . . . . 10.0 109.855 178.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -64.73 -45.91 84.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.234 179.304 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -62.6 -47.47 83.63 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 109.568 -0.53 . . . . 10.0 109.568 178.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -60.4 -40.57 97.77 Favored Glycine 0 N--CA 1.443 -0.875 0 N-CA-C 111.052 -0.819 . . . . 10.0 111.052 179.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -67.07 -44.33 80.37 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.103 -0.332 . . . . 10.0 110.103 179.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 89.2 mtt180 -54.04 -53.11 57.54 Favored 'General case' 0 C--N 1.331 -0.199 0 O-C-N 123.462 0.476 . . . . 10.0 110.215 179.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 11.0 tm0? -63.06 -47.12 84.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.855 -0.611 . . . . 10.0 111.397 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 47.2 mttp -58.98 -42.99 91.3 Favored 'General case' 0 CA--C 1.522 -0.126 0 CA-C-O 120.884 0.373 . . . . 10.0 110.938 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 90.7 mt -68.08 -39.44 82.92 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.11 -0.496 . . . . 10.0 110.04 178.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 3.5 m170 -61.86 -43.92 97.87 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.026 178.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -60.24 -39.52 87.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.697 -0.683 . . . . 10.0 109.569 178.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 77.2 mt -67.17 -42.29 84.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.885 -0.598 . . . . 10.0 109.515 178.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -61.47 -33.18 73.32 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.057 -0.52 . . . . 10.0 110.449 178.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -63.46 -18.16 63.47 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 115.96 -0.563 . . . . 10.0 110.417 179.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -109.65 -32.7 7.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.37 179.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 66.9 mt -61.8 -28.85 69.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 10.0 111.282 179.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 299' ' ' SER . . . . . . . . . . . . . 7.0 m -79.22 -68.24 0.23 Allowed Pre-proline 0 CA--C 1.538 0.501 0 N-CA-C 112.668 0.618 . . . . 10.0 112.668 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 300' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.53 -52.24 1.12 Allowed 'Trans proline' 0 C--N 1.356 0.928 0 C-N-CA 121.972 1.781 . . . . 10.0 112.778 -179.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 94.3 mt -66.45 -27.8 68.09 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.839 0.352 . . . . 10.0 110.297 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -67.4 -49.84 48.58 Favored Glycine 0 N--CA 1.445 -0.755 0 N-CA-C 110.226 -1.149 . . . . 10.0 110.226 178.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -64.76 -41.3 96.0 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.858 -0.423 . . . . 10.0 109.858 178.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -61.55 -41.75 97.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.947 -0.57 . . . . 10.0 110.065 179.072 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 11.2 tpt -63.26 -39.23 94.01 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.479 -0.564 . . . . 10.0 109.479 179.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 58.6 mtt180 -68.06 -40.27 82.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.914 -0.584 . . . . 10.0 110.35 179.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -68.22 -42.96 79.0 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.208 -0.451 . . . . 10.0 109.863 179.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 25.6 mmt180 -65.31 -34.93 79.5 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.731 -0.84 . . . . 10.0 108.731 177.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -64.52 -38.45 91.04 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 108.943 -0.762 . . . . 10.0 108.943 178.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 310' ' ' ARG . . . . . . . . . . . . . 88.2 mtt180 -57.95 -48.25 80.52 Favored 'General case' 0 C--O 1.223 -0.302 0 N-CA-C 108.725 -0.843 . . . . 10.0 108.725 177.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -63.6 -39.53 94.62 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.619 -0.719 . . . . 10.0 110.314 179.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -59.22 -51.78 68.52 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 121.127 0.489 . . . . 10.0 109.703 179.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 45.1 t -70.06 -32.86 52.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.505 -0.77 . . . . 10.0 110.775 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -63.77 -48.35 77.3 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.156 0.503 . . . . 10.0 110.014 179.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -61.17 -37.63 83.58 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.529 -0.76 . . . . 10.0 109.299 178.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 75.7 mt -68.36 -43.74 76.76 Favored 'General case' 0 C--O 1.221 -0.402 0 CA-C-N 115.472 -0.786 . . . . 10.0 109.777 178.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 14.9 mtm105 -59.25 -44.01 92.41 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.785 0.326 . . . . 10.0 110.824 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 3.2 m -66.72 -24.35 66.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.6 -0.727 . . . . 10.0 111.469 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 14.6 m80 -93.2 -46.56 7.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.504 -0.317 . . . . 10.0 111.556 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 96.5 mt -60.71 -31.5 70.79 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.347 0.499 . . . . 10.0 112.347 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -58.2 -63.63 3.73 Favored Pre-proline 0 CA--C 1.536 0.407 0 N-CA-C 111.575 0.213 . . . . 10.0 111.575 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -67.87 -27.66 36.92 Favored 'Trans proline' 0 C--N 1.356 0.942 0 C-N-CA 121.495 1.463 . . . . 10.0 111.311 178.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -62.59 -48.96 77.16 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.284 179.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 10.8 p -69.36 -33.48 73.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.901 0.381 . . . . 10.0 110.005 179.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.85 -41.72 98.16 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 108.846 -0.798 . . . . 10.0 108.846 178.703 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . 0.426 ' CD ' ' HZ2' ' D' ' 451' ' ' LYS . 54.9 mt-10 -76.13 -33.1 59.42 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.572 -0.74 . . . . 10.0 109.938 178.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 16.3 mt -61.07 -35.26 76.47 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 108.952 -0.758 . . . . 10.0 108.952 178.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 84.5 mtt180 -60.57 -44.33 96.31 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.861 -0.792 . . . . 10.0 108.861 177.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -64.72 -44.3 90.66 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.809 -0.632 . . . . 10.0 109.624 178.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 29.6 mtt-85 -57.97 -54.06 51.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.553 -0.749 . . . . 10.0 110.457 179.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 30.8 mt -61.49 -43.47 98.81 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-N 115.99 -0.55 . . . . 10.0 111.173 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -60.49 -43.88 96.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.658 0.266 . . . . 10.0 110.57 179.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -61.52 -45.85 92.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.024 -0.534 . . . . 10.0 109.714 178.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 -62.8 -42.98 99.94 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.817 -0.628 . . . . 10.0 109.694 178.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 61.5 mt -64.06 -45.9 86.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.727 -0.67 . . . . 10.0 111.437 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -65.88 -41.98 90.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.424 -0.353 . . . . 10.0 111.417 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -65.52 -47.57 75.52 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.152 0.501 . . . . 10.0 109.655 178.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 49.2 mt -69.78 -14.6 62.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.035 -0.529 . . . . 10.0 111.116 178.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 31.7 tttt -82.69 -48.63 10.67 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.34 -0.615 . . . . 10.0 109.34 178.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -67.13 -46.16 74.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.106 0.479 . . . . 10.0 109.86 178.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -71.4 -36.46 71.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.995 -0.548 . . . . 10.0 109.851 179.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -62.96 -43.76 98.41 Favored Glycine 0 N--CA 1.45 -0.384 0 N-CA-C 111.297 -0.721 . . . . 10.0 111.297 179.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -61.66 -36.77 93.17 Favored Glycine 0 N--CA 1.452 -0.295 0 N-CA-C 111.18 -0.768 . . . . 10.0 111.18 178.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -67.59 -44.37 78.29 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.454 -0.572 . . . . 10.0 109.454 178.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 65.8 mtm180 -64.6 -37.78 88.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.6 -0.727 . . . . 10.0 110.343 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 72.5 mt -59.57 -54.33 47.72 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.469 -0.567 . . . . 10.0 109.469 178.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.77 -42.67 93.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.67 -0.695 . . . . 10.0 110.568 179.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -63.41 -47.03 83.66 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.112 -0.495 . . . . 10.0 111.027 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -61.6 -34.27 75.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.551 -0.295 . . . . 10.0 110.264 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 29.6 m-70 -65.67 -42.83 90.87 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.052 -0.721 . . . . 10.0 109.052 177.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -65.0 -41.87 94.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.383 -0.826 . . . . 10.0 109.657 179.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 34.4 mttm -62.84 -43.72 98.05 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.181 -0.674 . . . . 10.0 109.181 178.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -61.74 -38.21 87.11 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.709 -0.678 . . . . 10.0 109.394 178.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 29.1 m -61.68 -40.96 96.82 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.513 -0.551 . . . . 10.0 109.513 178.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -67.15 -44.34 80.04 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.132 -0.485 . . . . 10.0 109.876 178.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 27.3 m-70 -62.26 -39.66 93.62 Favored 'General case' 0 C--O 1.226 -0.164 0 CA-C-N 115.687 -0.688 . . . . 10.0 110.949 179.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 83.5 mt -68.8 -38.06 79.7 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.287 -0.415 . . . . 10.0 111.041 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 41.4 m -64.22 -45.67 87.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.432 . . . . 10.0 110.367 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 1.2 p -73.53 -28.9 62.13 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.19 179.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 56.7 tp -63.65 -30.44 71.55 Favored 'General case' 0 CA--C 1.521 -0.158 0 N-CA-C 109.243 -0.651 . . . . 10.0 109.243 178.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 49.0 m -61.99 -32.6 73.08 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.882 -0.599 . . . . 10.0 109.64 178.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -67.87 -26.54 66.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.12 0.486 . . . . 10.0 110.313 178.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 363' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -90.42 -30.85 17.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.131 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -83.51 -24.49 31.67 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 113.06 0.763 . . . . 10.0 113.06 -178.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 85.1 mttt -110.98 -75.14 0.02 OUTLIER Pre-proline 0 CA--C 1.533 0.327 0 N-CA-C 112.841 0.682 . . . . 10.0 112.841 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -59.54 -55.31 1.84 Allowed 'Trans proline' 0 C--N 1.357 1.016 0 C-N-CA 122.206 1.938 . . . . 10.0 112.919 -179.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 367' ' ' ALA . . . . . . . . . . . . . . . -62.44 -45.65 92.12 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.764 0.283 . . . . 10.0 111.764 -179.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.64 -44.26 96.72 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.592 -0.276 . . . . 10.0 111.306 -179.738 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -63.66 -41.88 98.15 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.817 -0.438 . . . . 10.0 109.817 179.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -61.13 -41.46 96.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.296 -0.865 . . . . 10.0 109.631 179.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 85.4 mt -66.41 -42.21 88.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.611 -0.722 . . . . 10.0 110.275 178.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -62.87 -47.55 82.86 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.143 -0.48 . . . . 10.0 110.688 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -65.09 -21.63 66.84 Favored 'General case' 0 C--O 1.23 0.065 0 CA-C-N 116.043 -0.526 . . . . 10.0 111.139 179.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -89.46 -35.62 7.87 Favored Glycine 0 N--CA 1.449 -0.489 0 N-CA-C 111.58 -0.608 . . . . 10.0 111.58 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 36.4 mt -73.23 -29.6 62.89 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.605 0.224 . . . . 10.0 111.605 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 54.4 mt -54.68 -59.91 9.26 Favored Pre-proline 0 CA--C 1.536 0.425 0 N-CA-C 112.429 0.529 . . . . 10.0 112.429 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -61.14 -34.48 89.19 Favored 'Trans proline' 0 C--N 1.356 0.922 0 C-N-CA 121.813 1.675 . . . . 10.0 110.94 178.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 54.6 t -63.11 -44.54 99.53 Favored 'Isoleucine or valine' 0 C--O 1.231 0.126 0 N-CA-C 109.554 -0.536 . . . . 10.0 109.554 178.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 66.2 mt -64.37 -39.29 93.59 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.019 178.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -61.91 -43.12 99.49 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.899 -0.591 . . . . 10.0 110.461 178.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 2.3 p -70.92 -33.59 70.69 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.96 -0.385 . . . . 10.0 109.96 178.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -65.33 -34.9 79.41 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.027 179.006 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -60.27 -39.36 86.53 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 108.938 -0.764 . . . . 10.0 108.938 177.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 72.2 t -63.81 -40.53 89.39 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 N-CA-C 109.04 -0.726 . . . . 10.0 109.04 178.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 1.3 m -64.81 -43.25 93.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.734 -0.667 . . . . 10.0 109.994 179.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -66.67 -47.29 72.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.346 -0.388 . . . . 10.0 111.573 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 27.7 mt -58.34 -46.91 85.34 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.37 -0.377 . . . . 10.0 111.309 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 12.4 p -67.24 -44.17 80.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.6 -0.273 . . . . 10.0 110.906 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -57.6 -47.88 80.94 Favored 'General case' 0 CA--C 1.523 -0.081 0 CA-C-N 116.29 -0.413 . . . . 10.0 110.742 179.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 84.4 mt -56.02 -45.14 79.22 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.05 0.452 . . . . 10.0 110.153 179.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -63.77 -45.18 90.95 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.414 179.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -57.49 -48.19 79.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.922 0.392 . . . . 10.0 110.97 179.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -64.49 -39.36 93.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.98 -0.555 . . . . 10.0 111.485 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 11.7 m -70.21 -31.53 69.01 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.85 0.357 . . . . 10.0 111.254 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -77.76 -39.07 45.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.925 0.393 . . . . 10.0 111.956 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -85.09 -33.98 22.31 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 113.459 0.911 . . . . 10.0 113.459 -178.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 78.7 mt -94.77 -18.25 21.41 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.413 0.523 . . . . 10.0 112.413 -179.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 46.4 t30 . . . . . 0 C--N 1.328 -0.368 0 CA-C-O 120.616 0.245 . . . . 10.0 111.134 -179.82 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 3.2 mm? . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 121.244 0.545 . . . . 10.0 110.464 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -124.67 24.01 7.89 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.54 -0.755 . . . . 10.0 110.596 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 41.3 mt -74.59 -38.5 62.6 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.516 -0.766 . . . . 10.0 110.69 -179.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 36.5 mt -63.89 -38.46 91.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.87 -0.605 . . . . 10.0 110.316 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -69.13 -39.21 79.03 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.479 -0.782 . . . . 10.0 110.54 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -68.33 -45.76 72.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.685 -0.689 . . . . 10.0 110.431 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -61.58 -30.11 70.46 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.767 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -62.07 -48.88 78.22 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.618 -0.512 . . . . 10.0 109.618 178.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 1.2 m -62.53 -37.52 86.39 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.017 178.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 58.1 t -65.17 -37.42 80.14 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 N-CA-C 109.477 -0.564 . . . . 10.0 109.477 178.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 53.7 m -64.53 -38.5 91.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.957 -0.565 . . . . 10.0 109.752 178.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 5.1 m -62.12 -39.57 92.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.041 -0.527 . . . . 10.0 109.724 178.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 20.6 m -64.86 -42.42 94.89 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.083 -0.508 . . . . 10.0 109.687 178.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -64.48 -37.96 89.34 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.547 -0.538 . . . . 10.0 109.547 178.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 19.8 m -63.93 -40.25 96.03 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.234 -0.654 . . . . 10.0 109.234 178.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 46.0 mmtt -64.36 -35.98 82.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.998 -0.546 . . . . 10.0 109.945 178.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 95.6 mt -65.56 -39.27 91.48 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.148 -0.686 . . . . 10.0 109.148 178.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 77.2 mtt180 -68.84 -35.47 76.99 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.772 -0.649 . . . . 10.0 110.618 179.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -70.75 -20.21 62.65 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 121.256 0.55 . . . . 10.0 110.313 178.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -90.15 -49.51 6.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.573 -0.739 . . . . 10.0 109.69 178.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 59.6 mt -47.8 -47.37 31.02 Favored 'General case' 0 N--CA 1.461 0.11 0 CA-C-N 115.523 -0.762 . . . . 10.0 112.138 -179.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -52.05 -74.7 0.27 Allowed Glycine 0 CA--C 1.52 0.374 0 C-N-CA 121.273 -0.489 . . . . 10.0 112.998 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -55.15 -41.7 76.04 Favored 'Trans proline' 0 CA--C 1.531 0.357 0 C-N-CA 122.908 2.405 . . . . 10.0 112.343 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 31.5 t -60.46 -44.19 95.8 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 N-CA-C 112.623 0.601 . . . . 10.0 112.623 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 25.2 p -71.41 -34.46 70.37 Favored 'General case' 0 N--CA 1.462 0.17 0 C-N-CA 120.809 -0.357 . . . . 10.0 111.29 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -59.96 -50.67 72.84 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.67 -0.493 . . . . 10.0 109.67 179.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -73.06 -25.99 61.12 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.251 178.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -65.93 -41.78 90.93 Favored 'General case' 0 C--O 1.222 -0.368 0 N-CA-C 109.107 -0.701 . . . . 10.0 109.107 178.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 26.7 m0 -65.34 -37.74 88.0 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.53 -0.545 . . . . 10.0 109.53 178.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -65.6 -42.04 92.1 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.594 -0.891 . . . . 10.0 108.594 177.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -65.55 -40.56 92.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.654 -0.703 . . . . 10.0 109.738 178.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 48.4 mt -57.39 -42.92 83.15 Favored 'General case' 0 CA--C 1.517 -0.318 0 N-CA-C 109.378 -0.601 . . . . 10.0 109.378 178.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -65.8 -45.6 81.78 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.983 -0.553 . . . . 10.0 109.807 178.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 36.7 mttt -54.93 -44.86 74.65 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 109.577 -0.527 . . . . 10.0 109.577 178.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -67.57 -56.81 7.98 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.647 -0.706 . . . . 10.0 110.913 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 7.5 p -55.39 -53.35 57.3 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.755 0.65 . . . . 10.0 112.755 -178.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -60.68 -42.6 97.43 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-O 120.386 0.136 . . . . 10.0 110.793 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -62.26 -49.31 75.71 Favored Glycine 0 C--N 1.333 0.382 0 N-CA-C 110.99 -0.844 . . . . 10.0 110.99 179.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 84.1 mt -65.03 -32.02 73.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.556 0.217 . . . . 10.0 110.563 179.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 69.9 mtt180 -66.86 -32.31 73.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.563 -0.29 . . . . 10.0 110.888 179.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -64.81 -42.36 95.06 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 109.768 -0.456 . . . . 10.0 109.768 179.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.82 -25.32 37.86 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.451 178.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 47.9 mmm -74.59 -41.03 61.2 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.106 -0.497 . . . . 10.0 112.033 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 1.6 p -62.5 -42.91 99.82 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 108.911 -0.774 . . . . 10.0 108.911 178.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -63.42 -41.91 98.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.227 -0.897 . . . . 10.0 109.244 178.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -62.09 -50.13 73.16 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-N 115.415 -0.811 . . . . 10.0 110.224 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 97.6 mt -62.19 -46.39 89.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.872 -179.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 446' ' ' GLU . . . . . 0.434 ' CD ' ' HZ1' ' D' ' 449' ' ' LYS . 14.0 mm-40 -63.62 -46.84 83.89 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.777 0.322 . . . . 10.0 110.925 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 447' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -69.46 -25.42 64.07 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 109.813 -0.44 . . . . 10.0 109.813 179.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 1.2 t -65.52 -38.07 81.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 109.296 -0.631 . . . . 10.0 109.296 178.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 449' ' ' LYS . . . . . 0.434 ' HZ1' ' CD ' ' D' ' 446' ' ' GLU . 84.3 mttt -65.24 -33.5 76.14 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.905 -0.776 . . . . 10.0 108.905 178.359 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -84.95 1.5 47.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.925 -1.034 . . . . 10.0 110.649 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 451' ' ' LYS . . . . . 0.426 ' HZ2' ' CD ' ' A' ' 326' ' ' GLU . 35.4 mmtm -111.13 -47.67 3.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.147 179.478 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 72.3 t -57.47 -45.15 85.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.046 -0.525 . . . . 10.0 111.793 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -57.72 -61.23 7.71 Favored Pre-proline 0 CA--C 1.536 0.412 0 N-CA-C 112.973 0.731 . . . . 10.0 112.973 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_endo -63.37 -29.63 72.34 Favored 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 121.56 1.506 . . . . 10.0 111.579 178.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -67.91 -43.75 78.51 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.097 -0.705 . . . . 10.0 109.097 178.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 17.8 mt -68.74 -40.71 79.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.554 -0.748 . . . . 10.0 109.949 178.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -59.68 -51.43 69.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.471 179.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 458' ' ' ASP . . . . . 0.491 ' CG ' ' HZ2' ' D' ' 462' ' ' LYS . 34.8 t70 -64.9 -38.64 91.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.965 -0.562 . . . . 10.0 110.828 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 2.2 m-30 -66.72 -45.2 79.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.035 -0.529 . . . . 10.0 110.432 179.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -61.91 -35.0 77.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.382 -0.372 . . . . 10.0 110.508 179.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 58.8 mttt -61.94 -49.25 76.88 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 108.827 -0.805 . . . . 10.0 108.827 178.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 462' ' ' LYS . . . . . 0.491 ' HZ2' ' CG ' ' D' ' 458' ' ' ASP . 6.9 mtmm -65.38 -37.2 86.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.483 -0.781 . . . . 10.0 110.64 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 28.4 m0 -64.4 -40.75 96.41 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.362 -0.607 . . . . 10.0 109.362 178.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -64.62 -46.42 82.67 Favored 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 109.355 -0.609 . . . . 10.0 109.355 178.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 465' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -57.21 -51.86 67.65 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.171 178.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.75 -42.88 98.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.574 179.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 42.0 ttm -62.65 -41.95 99.34 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.957 0.408 . . . . 10.0 110.384 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -70.11 -32.13 70.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.065 0.46 . . . . 10.0 109.785 178.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 469' ' ' LEU . . . . . . . . . . . . . 47.6 mt -66.87 -36.28 81.95 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.143 -0.688 . . . . 10.0 109.143 178.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 19.4 m-30 -65.58 -32.24 73.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.312 0.577 . . . . 10.0 109.785 178.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 65.0 mtt180 -74.4 -23.51 58.97 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.586 -0.733 . . . . 10.0 110.707 179.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -101.04 -5.84 25.23 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.123 -0.489 . . . . 10.0 111.15 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 473' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -125.92 -74.9 0.59 Allowed 'General case' 0 C--O 1.221 -0.414 0 CA-C-N 116.446 -0.343 . . . . 10.0 111.272 -179.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 44.4 t -52.24 -45.14 43.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 112.603 0.594 . . . . 10.0 112.603 -179.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -59.43 -60.94 8.95 Favored Pre-proline 0 C--N 1.328 -0.365 0 N-CA-C 112.917 0.71 . . . . 10.0 112.917 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -63.5 -34.28 65.39 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 121.832 1.688 . . . . 10.0 111.67 178.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 29.1 mt -67.84 -25.69 65.67 Favored 'General case' 0 CA--C 1.52 -0.21 0 N-CA-C 109.98 -0.378 . . . . 10.0 109.98 178.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 12.8 mtt-85 -66.14 -30.16 70.59 Favored 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 108.336 -0.986 . . . . 10.0 108.336 178.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -81.81 -36.28 28.55 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.458 -0.792 . . . . 10.0 108.866 178.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.34 -48.57 81.19 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 108.316 -0.994 . . . . 10.0 108.316 177.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 94.3 mt -73.26 -22.64 60.34 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.207 -0.906 . . . . 10.0 110.008 178.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -67.27 -56.1 11.21 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 108.828 -0.804 . . . . 10.0 108.828 178.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.84 -31.06 71.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.791 -0.641 . . . . 10.0 109.595 178.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -67.14 -48.52 58.98 Favored Glycine 0 N--CA 1.449 -0.498 0 N-CA-C 110.363 -1.095 . . . . 10.0 110.363 178.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -65.57 -39.05 91.21 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 110.137 -0.319 . . . . 10.0 110.137 178.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -59.46 -47.32 85.93 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 109.525 -0.546 . . . . 10.0 109.525 178.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -65.36 -43.46 90.76 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-N 115.829 -0.623 . . . . 10.0 109.67 178.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -59.34 -46.16 89.37 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 123.347 0.405 . . . . 10.0 110.146 179.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 69.2 mt -64.6 -37.55 87.94 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.224 178.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -64.21 -46.85 82.06 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.384 -0.969 . . . . 10.0 108.384 178.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -57.55 -44.19 85.03 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 108.497 -0.927 . . . . 10.0 108.497 178.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 64.3 mt -63.0 -57.28 11.23 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 115.356 -0.838 . . . . 10.0 111.024 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -54.36 -40.55 68.22 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.856 0.36 . . . . 10.0 111.778 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -62.91 -17.18 61.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.677 -0.692 . . . . 10.0 111.463 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 495' ' ' LYS . . . . . . . . . . . . . 15.2 mttp -110.59 -30.73 7.5 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.266 -0.424 . . . . 10.0 110.541 179.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 98.6 mt -63.84 -33.15 75.04 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.199 -0.455 . . . . 10.0 111.421 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 497' ' ' SER . . . . . . . . . . . . . 11.8 m -69.77 -61.75 2.84 Favored Pre-proline 0 C--N 1.324 -0.507 0 C-N-CA 120.869 -0.332 . . . . 10.0 111.37 178.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 498' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -62.16 -46.46 12.7 Favored 'Trans proline' 0 C--N 1.356 0.926 0 C-N-CA 121.845 1.696 . . . . 10.0 111.921 179.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 499' ' ' LEU . . . . . . . . . . . . . 29.8 mt -68.24 -32.05 71.97 Favored 'General case' 0 CA--C 1.517 -0.314 0 C-N-CA 121.016 -0.274 . . . . 10.0 111.073 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -66.33 -46.94 74.73 Favored Glycine 0 N--CA 1.451 -0.351 0 N-CA-C 110.153 -1.179 . . . . 10.0 110.153 178.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -62.42 -39.55 93.66 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.206 -0.665 . . . . 10.0 109.206 178.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 502' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -67.21 -47.03 72.09 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.285 -0.87 . . . . 10.0 110.342 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 77.2 mmm -59.69 -40.0 86.42 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.781 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 61.8 mtt180 -68.94 -37.65 79.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.061 178.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.39 -37.14 80.1 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 109.343 -0.614 . . . . 10.0 109.343 178.583 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 506' ' ' ARG . . . . . . . . . . . . . 45.2 mtt180 -63.47 -45.54 90.31 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 107.425 -1.324 . . . . 10.0 107.425 177.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -60.38 -41.11 93.09 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 115.486 -0.779 . . . . 10.0 109.652 179.175 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 508' ' ' ARG . . . . . . . . . . . . . 77.8 mtt180 -59.86 -44.98 93.85 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.197 -0.668 . . . . 10.0 109.197 178.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -63.85 -35.08 79.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.634 -0.712 . . . . 10.0 110.832 179.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -74.67 -50.82 16.24 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.046 -0.524 . . . . 10.0 110.202 179.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 77.9 t -61.51 -44.42 98.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.403 -0.362 . . . . 10.0 110.723 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -63.75 -34.31 77.59 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 121.115 0.483 . . . . 10.0 110.224 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -68.65 -49.66 57.32 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.55 -0.907 . . . . 10.0 108.55 177.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 514' ' ' LEU . . . . . . . . . . . . . 91.7 mt -58.29 -25.62 62.04 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.77 -0.65 . . . . 10.0 111.212 179.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 515' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -62.73 -38.54 90.92 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-O 121.187 0.517 . . . . 10.0 110.034 178.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -100.3 -5.14 27.89 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.978 -0.555 . . . . 10.0 110.953 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 20.7 m170 -98.93 -44.81 6.2 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.114 -0.494 . . . . 10.0 112.096 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 84.0 mt -95.3 -47.72 6.2 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 113.235 0.828 . . . . 10.0 113.235 -177.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 519' ' ' ALA . . . . . . . . . . . . . . . -54.26 -59.02 11.18 Favored Pre-proline 0 CA--C 1.535 0.399 0 N-CA-C 113.676 0.991 . . . . 10.0 113.676 -178.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 520' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -62.32 -36.09 69.61 Favored 'Trans proline' 0 C--N 1.354 0.846 0 C-N-CA 121.772 1.648 . . . . 10.0 111.029 179.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -66.8 -32.99 74.63 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.583 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 67.1 m -65.84 -36.96 84.91 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.504 -0.554 . . . . 10.0 109.504 178.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -70.44 -34.97 73.06 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.214 -0.661 . . . . 10.0 109.214 178.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -68.84 -36.52 78.28 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 107.957 -1.127 . . . . 10.0 107.957 177.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 29.9 mt -65.85 -36.77 84.37 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.311 -0.859 . . . . 10.0 108.996 177.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 526' ' ' ARG . . . . . . . . . . . . . 77.9 mtt180 -58.93 -41.78 88.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.069 179.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -61.46 -45.17 95.37 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.189 0.519 . . . . 10.0 109.627 178.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 528' ' ' ARG . . . . . . . . . . . . . 89.5 mtt180 -66.55 -42.47 87.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.65 -0.705 . . . . 10.0 109.819 179.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 77.2 mt -64.75 -34.79 79.18 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.36 -0.382 . . . . 10.0 110.132 179.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -64.65 -42.65 95.27 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.587 -0.524 . . . . 10.0 109.587 178.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -72.08 -34.28 68.57 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-O 121.194 0.521 . . . . 10.0 109.981 178.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 16.5 ttm180 -67.53 -48.41 67.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.912 -0.586 . . . . 10.0 109.733 178.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 83.8 mt -68.81 -24.93 64.45 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.893 -0.594 . . . . 10.0 109.42 178.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -64.1 -46.05 85.92 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 108.244 -1.021 . . . . 10.0 108.244 178.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -64.3 -39.58 94.2 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.015 -0.735 . . . . 10.0 109.015 178.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 91.7 mt -66.19 -28.11 68.5 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.577 -0.738 . . . . 10.0 110.736 179.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 43.5 mtmt -81.94 -44.87 16.17 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.818 -0.438 . . . . 10.0 109.818 178.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -62.17 -56.05 22.6 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.861 -0.609 . . . . 10.0 109.863 179.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -70.05 -27.91 65.03 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.856 -0.611 . . . . 10.0 109.664 179.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -64.76 -44.58 94.6 Favored Glycine 0 N--CA 1.446 -0.655 0 N-CA-C 110.329 -1.108 . . . . 10.0 110.329 178.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -63.63 -37.44 94.74 Favored Glycine 0 N--CA 1.45 -0.384 0 N-CA-C 110.392 -1.083 . . . . 10.0 110.392 178.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -67.2 -42.72 83.69 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.351 -0.611 . . . . 10.0 109.351 178.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 49.6 mtt85 -60.11 -40.06 88.38 Favored 'General case' 0 C--O 1.222 -0.381 0 CA-C-N 115.418 -0.81 . . . . 10.0 109.978 178.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 87.8 mt -63.1 -43.87 97.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.802 0.334 . . . . 10.0 110.304 179.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -62.48 -45.58 92.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.981 -0.554 . . . . 10.0 109.565 178.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -63.87 -46.31 85.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.542 -0.754 . . . . 10.0 110.246 178.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -55.59 -44.84 77.3 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.317 -0.401 . . . . 10.0 110.271 179.44 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -66.03 -42.4 89.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.272 -0.422 . . . . 10.0 110.722 179.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -64.28 -45.49 87.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.805 -0.634 . . . . 10.0 110.211 179.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.62 -34.74 76.28 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.211 -0.449 . . . . 10.0 110.363 179.655 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -62.93 -44.67 95.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.186 179.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -67.06 -43.84 81.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.07 -0.513 . . . . 10.0 110.368 179.716 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -60.74 -48.59 81.12 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 109.584 -0.524 . . . . 10.0 109.584 178.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -59.05 -51.82 68.42 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.533 -0.758 . . . . 10.0 109.783 179.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 46.8 tp -57.81 -39.99 78.91 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.45 -0.341 . . . . 10.0 110.977 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 50.7 m -61.73 -46.63 88.79 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 109.781 -0.452 . . . . 10.0 109.781 179.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 41.0 p -73.89 -19.84 60.59 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 120.943 0.402 . . . . 10.0 111.294 179.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 36.9 mt -74.77 -53.71 8.68 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.161 -0.681 . . . . 10.0 109.161 178.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 5.5 m -65.16 -29.34 70.16 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.547 -0.538 . . . . 10.0 109.547 178.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -58.46 -33.58 69.9 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.209 -0.905 . . . . 10.0 110.247 178.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 49.4 mttp -99.46 -33.12 10.8 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 116.009 -0.542 . . . . 10.0 110.806 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -52.57 -44.92 66.21 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.281 -0.418 . . . . 10.0 111.931 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -64.68 -62.34 5.09 Favored Pre-proline 0 CA--C 1.537 0.444 0 N-CA-C 112.891 0.7 . . . . 10.0 112.891 -179.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -60.15 -36.34 89.02 Favored 'Trans proline' 0 C--N 1.355 0.883 0 C-N-CA 121.955 1.77 . . . . 10.0 112.317 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -66.08 -47.74 73.27 Favored 'General case' 0 C--O 1.224 -0.252 0 N-CA-C 110.025 -0.361 . . . . 10.0 110.025 179.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 16.7 mt -62.05 -40.11 94.67 Favored 'General case' 0 CA--C 1.52 -0.197 0 N-CA-C 110.012 -0.366 . . . . 10.0 110.012 179.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -62.44 -48.09 81.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.309 -0.405 . . . . 10.0 110.126 179.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.31 -39.58 94.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.173 179.548 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 67.8 mt -63.23 -49.44 74.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.019 178.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 87.5 mtt180 -61.46 -53.51 55.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.87 0.367 . . . . 10.0 110.39 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -62.76 -19.5 64.04 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.755 -0.657 . . . . 10.0 111.632 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -90.06 -34.19 8.38 Favored Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 111.069 -0.812 . . . . 10.0 111.069 178.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 67.5 mt -72.39 -34.14 67.7 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 122.207 0.203 . . . . 10.0 110.825 179.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 73.5 mt -49.49 -59.55 6.46 Favored Pre-proline 0 CA--C 1.536 0.436 0 N-CA-C 112.714 0.635 . . . . 10.0 112.714 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -77.09 -35.56 1.72 Allowed 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 121.846 1.697 . . . . 10.0 112.274 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.42 -36.93 78.11 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.078 0 C-N-CA 120.951 -0.3 . . . . 10.0 111.642 -179.277 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 30.1 mt -66.06 -38.2 87.72 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 109.766 -0.457 . . . . 10.0 109.766 179.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -64.41 -47.5 78.92 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.972 -0.558 . . . . 10.0 109.517 179.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 16.2 m -60.51 -38.86 85.75 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.044 -0.525 . . . . 10.0 110.125 178.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 5.0 m-30 -67.28 -39.56 86.05 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.282 178.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 83.2 mttt -62.69 -45.43 92.83 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 109.835 -0.431 . . . . 10.0 109.835 178.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 84.1 t -58.71 -47.17 89.77 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 CA-C-N 115.73 -0.668 . . . . 10.0 110.44 179.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 1.3 p -66.16 -35.64 81.01 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.659 -0.246 . . . . 10.0 111.172 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -67.3 -44.29 79.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.025 0.44 . . . . 10.0 110.28 178.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 63.7 mt -62.14 -46.99 86.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.812 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 2.6 p -64.83 -31.96 73.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.036 0.446 . . . . 10.0 110.535 179.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -71.05 -52.15 21.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.523 179.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 96.3 mt -58.52 -42.38 87.58 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.0 -0.546 . . . . 10.0 111.451 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -61.94 -54.21 44.98 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.371 -0.377 . . . . 10.0 111.081 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -63.76 -36.2 83.1 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.43 -0.35 . . . . 10.0 111.5 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 3.0 m-30 -62.11 -45.15 94.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.933 0.397 . . . . 10.0 110.407 178.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 22.8 m -68.87 -28.15 66.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 10.0 111.254 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -73.38 -40.49 64.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.98 0.419 . . . . 10.0 110.612 179.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 9.8 mptt -77.47 -52.39 9.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.291 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 64.9 mt -87.76 65.27 8.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.183 0.516 . . . . 10.0 110.397 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 . . . . . 0 C--N 1.326 -0.431 0 CA-C-N 115.796 -0.638 . . . . 10.0 110.724 -179.728 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 8.2 m . . . . . 0 N--CA 1.455 -0.193 0 CA-C-O 120.681 0.277 . . . . 10.0 110.579 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 1.4 m -77.84 120.89 23.37 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.935 0.398 . . . . 10.0 110.384 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -79.65 141.8 36.15 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.048 -0.524 . . . . 10.0 110.375 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -137.86 107.75 6.31 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.665 0.269 . . . . 10.0 110.285 179.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 44.9 mttm -78.49 112.91 16.03 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.994 -0.548 . . . . 10.0 111.037 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 6.0 mt -111.28 122.51 48.04 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.899 -0.592 . . . . 10.0 110.622 -179.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 42.2 t -111.34 117.73 55.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 109.801 -0.444 . . . . 10.0 109.801 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 11.4 t -84.84 122.49 38.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 109.438 -0.579 . . . . 10.0 109.438 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 17.4 m -117.82 166.68 11.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 120.778 0.323 . . . . 10.0 111.457 -179.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 138.95 -176.32 20.99 Favored Glycine 0 N--CA 1.444 -0.796 0 N-CA-C 111.045 -0.822 . . . . 10.0 111.045 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -88.37 -171.17 3.25 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.704 0.288 . . . . 10.0 110.405 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.67 156.6 18.92 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.099 0.476 . . . . 10.0 111.116 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 79.83 -15.43 15.11 Favored Glycine 0 N--CA 1.446 -0.677 0 CA-C-N 115.903 -0.589 . . . . 10.0 114.442 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 32.6 m -65.88 -25.74 36.93 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 CA-C-N 117.695 0.747 . . . . 10.0 112.523 -178.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 97.6 31.63 6.65 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.695 -0.764 . . . . 10.0 113.15 179.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 50.9 mtpt -55.28 -57.87 10.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.923 0.392 . . . . 10.0 110.538 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.81 -36.51 82.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.579 -0.737 . . . . 10.0 111.535 -179.164 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.96 -39.48 78.21 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 120.757 0.313 . . . . 10.0 110.436 179.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 64.7 mt -65.18 -42.44 93.63 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.76 178.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.12 -44.81 78.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 10.0 110.625 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 79.8 mt -59.09 -37.35 67.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.862 -0.608 . . . . 10.0 111.207 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -68.84 -17.9 64.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.368 -0.378 . . . . 10.0 111.943 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 3.3 tp -99.89 -28.45 13.11 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.051 0.453 . . . . 10.0 110.754 179.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 49.1 mm -84.68 -54.72 8.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.02 -0.536 . . . . 10.0 111.5 -179.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -99.39 -11.48 21.12 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.251 -0.432 . . . . 10.0 111.256 -179.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 63.3 42.78 6.65 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.021 -0.536 . . . . 10.0 112.211 179.071 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -151.05 159.74 44.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.356 -0.384 . . . . 10.0 110.888 179.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -97.83 139.5 33.59 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.984 0.421 . . . . 10.0 111.269 -179.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 3.4 m -100.96 116.48 44.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.339 179.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -80.67 -25.92 37.92 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.938 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -85.71 130.45 34.56 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.105 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -82.34 114.18 20.63 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 109.904 -0.406 . . . . 10.0 109.904 179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -111.36 123.0 36.07 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.966 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo -69.7 80.83 0.84 Allowed 'Trans proline' 0 N--CA 1.46 -0.475 0 C-N-CA 122.547 2.165 . . . . 10.0 110.837 179.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.44 102.18 3.13 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.477 179.662 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 46.5 mm -80.81 -49.7 18.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 123.411 0.445 . . . . 10.0 110.688 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -153.1 101.89 2.6 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.911 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -142.51 146.18 34.44 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.314 -0.624 . . . . 10.0 109.314 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.9 p -134.27 153.53 51.81 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 111.996 0.369 . . . . 10.0 111.996 -179.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -138.99 137.43 36.35 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.002 -0.545 . . . . 10.0 110.094 -179.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -111.15 121.22 44.75 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.649 0.261 . . . . 10.0 110.61 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 55.3 tttp -129.46 121.99 28.4 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.783 0.325 . . . . 10.0 111.065 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -93.87 120.26 33.89 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.156 -0.683 . . . . 10.0 109.156 179.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 2.8 m -138.71 165.74 23.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.397 -0.365 . . . . 10.0 111.414 -178.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 44.9 t -100.49 107.91 22.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.374 -0.602 . . . . 10.0 109.374 179.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 12.0 mt -124.82 130.28 73.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.372 -0.377 . . . . 10.0 110.519 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 60.41 24.02 13.57 Favored 'General case' 0 N--CA 1.464 0.27 0 O-C-N 123.654 0.596 . . . . 10.0 112.168 179.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 86.32 9.83 75.39 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.998 -0.62 . . . . 10.0 113.004 179.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -123.72 142.62 50.9 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.787 0.327 . . . . 10.0 111.239 -179.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 3.9 m -83.61 105.76 14.79 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 107.657 -1.238 . . . . 10.0 107.657 178.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 5.5 m -102.37 142.54 33.42 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 112.409 0.522 . . . . 10.0 112.409 -177.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 67.9 tp -105.11 99.21 8.83 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.078 -1.082 . . . . 10.0 108.078 178.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 42.1 mt -75.59 116.74 16.62 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 112.824 0.676 . . . . 10.0 112.824 -178.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -105.27 79.79 1.52 Allowed 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 107.419 -1.326 . . . . 10.0 107.419 178.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -91.17 141.89 13.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.718 -0.674 . . . . 10.0 112.299 -176.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.3 tt -141.33 131.49 24.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.75 -0.659 . . . . 10.0 110.44 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -97.37 132.52 43.01 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 109.862 -0.421 . . . . 10.0 109.862 178.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 22.0 p -100.69 163.81 12.16 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.01 -0.541 . . . . 10.0 111.19 -178.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -80.45 115.7 20.12 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.775 0.321 . . . . 10.0 110.514 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -86.62 39.32 3.08 Favored Glycine 0 CA--C 1.52 0.378 0 C-N-CA 120.747 -0.739 . . . . 10.0 112.707 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -111.8 13.11 21.01 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.489 0.185 . . . . 10.0 111.366 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 59.99 -161.09 0.28 Allowed 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.269 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 71.78 -39.14 0.44 Allowed 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 113.469 0.914 . . . . 10.0 113.469 179.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -77.11 44.45 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 111.984 0.365 . . . . 10.0 111.984 -179.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.33 -37.46 87.36 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.486 -0.325 . . . . 10.0 110.533 179.635 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.79 -39.24 90.75 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.648 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 90.4 mtp -77.53 -23.32 50.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.613 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 5.5 ttp180 -61.34 -43.56 98.67 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.58 -0.736 . . . . 10.0 111.974 -179.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -65.09 -26.36 68.19 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.688 0.28 . . . . 10.0 111.092 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -65.51 -63.86 1.0 Allowed 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.332 0.493 . . . . 10.0 112.332 -178.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -66.92 -19.7 65.77 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 112.881 0.697 . . . . 10.0 112.881 -178.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 42.5 mtt -70.73 -25.79 63.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.191 0.519 . . . . 10.0 110.5 179.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 41.9 ttm105 -79.95 -43.76 21.5 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.786 -0.643 . . . . 10.0 110.459 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -75.84 -28.13 58.1 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.946 -0.57 . . . . 10.0 111.833 -179.405 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -70.02 137.44 28.27 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.65 -0.786 . . . . 10.0 113.538 -178.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -97.49 -45.1 6.56 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.077 0.465 . . . . 10.0 109.942 179.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -121.98 137.06 11.29 Favored Glycine 0 N--CA 1.448 -0.507 0 N-CA-C 110.554 -1.018 . . . . 10.0 110.554 179.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -115.91 124.75 51.39 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.475 0.655 . . . . 10.0 111.716 -179.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 19.7 tp -96.85 108.89 21.66 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.476 -0.784 . . . . 10.0 110.186 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 18.6 m -87.23 102.27 14.32 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.902 -0.407 . . . . 10.0 109.902 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 66.2 t -107.54 132.88 53.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.129 0.49 . . . . 10.0 111.306 -178.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 33.0 p90 -139.97 163.48 32.57 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.723 -0.671 . . . . 10.0 109.544 179.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -97.92 131.85 44.02 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.867 -0.42 . . . . 10.0 109.867 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 29.5 pt -64.84 -18.24 23.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 112.339 0.496 . . . . 10.0 112.339 -178.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 15.7 p-10 -107.63 12.79 27.26 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 121.253 0.549 . . . . 10.0 110.885 179.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -131.2 90.61 2.9 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.453 -0.794 . . . . 10.0 109.473 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -65.17 -25.31 67.67 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.145 -0.48 . . . . 10.0 112.063 -178.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 25.7 tptp -58.69 -48.64 80.42 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.281 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 78.5 p -66.21 -26.34 67.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.076 -0.511 . . . . 10.0 111.347 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -67.96 -36.9 80.87 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.205 -0.452 . . . . 10.0 110.96 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -73.81 -34.99 64.83 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.83 0.348 . . . . 10.0 110.708 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -61.62 -22.88 65.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.779 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 50.4 mm -58.83 -36.43 61.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.315 -0.402 . . . . 10.0 110.728 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 64.5 t60 -70.89 -45.03 65.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.756 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -60.18 -44.86 94.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.299 -0.409 . . . . 10.0 111.24 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -63.93 -46.83 82.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.08 -0.509 . . . . 10.0 109.875 178.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 17.3 ttt180 -54.82 -46.69 74.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.425 -0.807 . . . . 10.0 111.492 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -65.06 -31.75 73.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.026 -0.534 . . . . 10.0 112.328 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -74.7 -44.64 49.06 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 121.044 -0.262 . . . . 10.0 110.978 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 77.9 mt -55.58 -47.06 79.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.355 0.597 . . . . 10.0 109.898 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -70.28 -17.11 63.09 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.536 -0.757 . . . . 10.0 112.266 -179.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 8.5 tmm_? -85.41 -43.26 13.78 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.654 -0.499 . . . . 10.0 109.654 178.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 54.9 t -65.6 -43.68 93.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.406 179.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -87.64 -7.28 57.65 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.348 -179.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 30.4 t70 48.23 66.96 0.92 Allowed 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 112.899 0.703 . . . . 10.0 112.899 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 40.5 t -166.15 150.15 7.76 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.869 -0.605 . . . . 10.0 110.002 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -97.4 -4.16 38.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.94 0.4 . . . . 10.0 110.718 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -113.82 86.98 2.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.07 -0.514 . . . . 10.0 110.769 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 58.7 t -121.74 132.11 24.3 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.312 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -64.62 101.92 0.39 Allowed 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.932 2.421 . . . . 10.0 111.771 179.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 54.1 mtm -134.09 141.47 47.17 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.149 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 92.0 t -127.26 132.21 69.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 109.589 -0.522 . . . . 10.0 109.589 179.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 19.6 tp -90.4 118.33 29.8 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.103 -0.703 . . . . 10.0 109.103 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 68.9 t -117.59 120.91 66.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.146 0.498 . . . . 10.0 111.815 -178.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -91.56 117.65 5.26 Favored Glycine 0 N--CA 1.444 -0.817 0 N-CA-C 109.437 -1.465 . . . . 10.0 109.437 178.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -100.5 160.49 14.31 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 112.388 0.514 . . . . 10.0 112.388 -178.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 82.6 mttt 64.11 36.18 9.88 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 114.858 -1.064 . . . . 10.0 111.866 179.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 91.3 m -67.69 -9.16 41.13 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.485 0.55 . . . . 10.0 112.485 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.68 -17.37 51.37 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.636 0.255 . . . . 10.0 110.694 179.577 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 89.4 mt -80.85 141.59 51.42 Favored Pre-proline 0 C--N 1.332 -0.186 0 CA-C-N 116.187 -0.46 . . . . 10.0 111.169 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -87.13 174.4 5.33 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 122.543 2.162 . . . . 10.0 111.56 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 36.3 m 58.26 51.97 7.89 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.333 0.587 . . . . 10.0 112.051 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -76.16 148.51 37.73 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.775 -0.648 . . . . 10.0 110.741 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 16.9 p -96.28 -35.1 11.36 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.016 0.436 . . . . 10.0 110.076 179.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 40.8 t -96.71 110.82 25.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.051 -0.522 . . . . 10.0 109.841 179.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -78.58 159.49 28.09 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.943 -0.391 . . . . 10.0 109.943 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.13 -49.67 76.32 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 112.935 0.716 . . . . 10.0 112.935 -178.548 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.47 -39.59 73.46 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 113.719 1.007 . . . . 10.0 113.719 -178.743 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -67.97 -27.45 66.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.032 0.444 . . . . 10.0 111.666 -178.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -88.15 -36.6 16.76 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.571 -0.529 . . . . 10.0 109.571 179.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -67.25 -46.3 74.14 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 115.831 -0.622 . . . . 10.0 111.909 -179.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -61.95 -42.17 98.81 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.948 0.404 . . . . 10.0 110.579 179.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 10.9 tp -63.0 -47.6 82.42 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.012 -0.54 . . . . 10.0 110.376 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.81 -37.9 89.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.5 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -63.27 -38.75 92.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.62 -0.718 . . . . 10.0 110.225 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 21.9 t -65.82 -42.97 89.93 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.86 -0.609 . . . . 10.0 111.232 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -75.72 -35.4 60.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.336 -0.393 . . . . 10.0 111.841 -179.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 102.27 35.48 3.88 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.786 -0.721 . . . . 10.0 112.154 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 34.3 pt -121.99 148.57 51.81 Favored Pre-proline 0 C--N 1.326 -0.431 0 N-CA-C 110.224 -0.287 . . . . 10.0 110.224 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo -74.82 149.94 38.35 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 122.831 2.354 . . . . 10.0 111.735 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -132.69 127.24 34.37 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.009 -0.541 . . . . 10.0 109.949 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 49.5 mt -134.29 134.13 55.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.562 -0.29 . . . . 10.0 110.738 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -86.5 135.67 33.37 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.6 -0.889 . . . . 10.0 108.6 177.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 20.3 p -132.72 162.31 31.75 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.159 0.8 . . . . 10.0 113.159 -178.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 29.1 t -154.85 103.62 2.44 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.099 -1.075 . . . . 10.0 108.099 178.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -64.74 -34.91 79.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.996 -0.547 . . . . 10.0 111.515 -179.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -61.21 -28.05 68.87 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.213 0.449 . . . . 10.0 112.213 -179.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 14.0 p -105.8 -3.7 21.69 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 121.124 -0.231 . . . . 10.0 111.307 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 57.11 37.47 28.57 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 121.233 0.54 . . . . 10.0 110.858 179.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -117.0 131.09 57.04 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.566 0.58 . . . . 10.0 112.566 -178.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 76.64 -8.75 26.09 Favored Glycine 0 C--N 1.333 0.363 0 N-CA-C 115.077 0.791 . . . . 10.0 115.077 177.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 61.7 t -65.52 -43.27 94.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 117.462 0.631 . . . . 10.0 111.616 -178.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -62.06 -42.02 98.75 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.776 -0.453 . . . . 10.0 109.776 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -57.81 -43.33 85.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.187 -0.915 . . . . 10.0 111.999 -179.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -58.19 -45.7 87.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 10.0 111.42 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -69.01 -40.51 78.65 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.369 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 6.2 m-30 -65.33 -41.62 93.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 10.0 111.416 -179.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 35.0 m -66.22 -42.14 89.11 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.982 -0.554 . . . . 10.0 112.257 -179.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 62.6 tp -61.83 -42.09 98.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.683 0.278 . . . . 10.0 111.687 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 91.8 t -62.12 -39.37 83.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.341 0.591 . . . . 10.0 110.118 179.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 9.9 ttp180 -62.39 -38.81 91.05 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.338 -0.846 . . . . 10.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -64.76 -37.33 87.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.298 -0.41 . . . . 10.0 111.086 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 44.5 mt -69.64 -47.16 72.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 109.8 -0.445 . . . . 10.0 109.8 179.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 41.0 ttm105 -60.21 -38.19 82.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.606 -0.725 . . . . 10.0 109.541 179.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 115.469 -0.787 . . . . 10.0 110.422 179.498 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 CA-C-O 120.89 0.376 . . . . 10.0 111.284 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -81.67 126.66 32.04 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.292 -0.413 . . . . 10.0 109.966 -179.378 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -90.52 132.59 35.6 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.382 -0.372 . . . . 10.0 110.844 -179.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -128.44 106.54 9.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.51 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 41.3 mttm -81.13 111.1 17.27 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.28 -0.418 . . . . 10.0 109.901 179.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 18.2 mt -113.27 125.65 54.54 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.897 -178.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 43.9 t -113.36 122.55 67.71 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 N-CA-C 109.942 -0.392 . . . . 10.0 109.942 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 3.0 t -87.38 114.92 27.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 108.987 -0.746 . . . . 10.0 108.987 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 15.1 m -113.4 148.3 16.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.119 0.485 . . . . 10.0 111.425 -179.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 154.84 171.83 21.98 Favored Glycine 0 N--CA 1.444 -0.803 0 N-CA-C 111.16 -0.776 . . . . 10.0 111.16 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.66 -175.58 0.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.336 0.589 . . . . 10.0 112.181 -179.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.2 146.27 25.46 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.756 -0.657 . . . . 10.0 110.913 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 73.5 13.11 80.27 Favored Glycine 0 CA--C 1.523 0.543 0 CA-C-N 115.806 -0.634 . . . . 10.0 114.28 179.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 32.0 m -84.81 -25.56 6.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 112.788 0.662 . . . . 10.0 112.788 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 115.39 16.52 7.06 Favored Glycine 0 C--N 1.334 0.446 0 C-N-CA 120.297 -0.954 . . . . 10.0 114.418 179.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 21.1 mtmm -59.54 -40.55 87.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.044 0.449 . . . . 10.0 112.053 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 43.2 m -75.51 -44.08 45.63 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 110.092 -0.336 . . . . 10.0 110.092 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.33 -49.91 68.64 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.881 -0.6 . . . . 10.0 111.661 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 78.2 mt -60.82 -45.38 94.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.398 -0.365 . . . . 10.0 111.493 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 14.6 m -66.32 -49.83 65.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.261 -0.427 . . . . 10.0 111.298 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 94.3 mt -60.38 -34.87 59.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.561 -0.29 . . . . 10.0 111.374 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -61.58 -24.47 66.69 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.483 0.549 . . . . 10.0 112.483 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 7.6 mp -106.25 -28.43 10.43 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 111.686 0.254 . . . . 10.0 111.686 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 43.6 mm -78.0 -57.34 5.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-O 120.791 0.329 . . . . 10.0 110.866 179.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -96.89 -14.77 21.57 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.36 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 66.13 52.49 1.16 Allowed 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 113.87 1.063 . . . . 10.0 113.87 178.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -162.52 161.94 27.17 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.559 -0.291 . . . . 10.0 110.293 178.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -101.63 137.6 39.73 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.939 0.4 . . . . 10.0 111.208 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 11.1 m -97.44 128.28 48.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.202 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -94.36 -29.55 14.95 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.504 0.669 . . . . 10.0 109.295 179.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -80.17 138.9 36.95 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.48 -0.782 . . . . 10.0 110.626 -179.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -89.77 113.32 24.84 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.587 -179.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -127.61 108.47 20.76 Favored Pre-proline 0 C--N 1.321 -0.633 0 C-N-CA 120.928 -0.309 . . . . 10.0 111.008 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_exo -58.73 130.36 36.62 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 122.729 2.286 . . . . 10.0 111.498 179.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 2.2 m -104.46 123.63 47.82 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.494 -179.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 45.5 mm -83.82 -57.18 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.872 0.368 . . . . 10.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -161.74 78.84 0.55 Allowed 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.48 -0.563 . . . . 10.0 109.48 -179.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.76 127.36 55.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.186 -179.196 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.06 149.46 30.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.978 -0.555 . . . . 10.0 111.391 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -137.7 141.76 41.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.708 -0.678 . . . . 10.0 109.483 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -115.57 130.05 56.73 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.732 0.301 . . . . 10.0 110.939 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 56.8 tttp -133.52 133.64 42.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -108.92 106.48 16.48 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.814 -0.439 . . . . 10.0 109.814 179.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 1.5 m -128.36 161.45 36.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 120.966 0.412 . . . . 10.0 111.21 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -93.81 106.88 18.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.312 179.143 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 68.1 mt -113.12 119.41 60.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.456 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 63.24 32.23 15.03 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.159 -0.928 . . . . 10.0 111.431 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.68 -4.56 78.44 Favored Glycine 0 C--N 1.33 0.25 0 CA-C-N 115.753 -0.658 . . . . 10.0 113.035 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -110.57 133.53 53.22 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.653 0.263 . . . . 10.0 110.988 -178.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.41 125.92 27.98 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.274 -0.639 . . . . 10.0 109.274 178.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 17.3 m -123.76 131.69 53.65 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 112.396 0.517 . . . . 10.0 112.396 -178.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 41.5 tp -100.13 102.55 13.9 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 107.874 -1.158 . . . . 10.0 107.874 177.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 19.0 mt -86.17 127.6 34.75 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 113.186 0.809 . . . . 10.0 113.186 -177.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -108.08 87.83 2.59 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 107.341 -1.355 . . . . 10.0 107.341 177.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 3.1 mt -93.55 147.25 5.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.038 -0.528 . . . . 10.0 112.028 -176.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 9.6 tp -147.62 130.02 15.75 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.372 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -91.08 138.58 31.49 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 109.721 -0.474 . . . . 10.0 109.721 178.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 33.2 p -103.97 147.83 26.91 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.22 0.533 . . . . 10.0 111.792 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.81 103.32 5.84 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.733 -0.667 . . . . 10.0 109.769 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -82.99 22.51 6.75 Favored Glycine 0 C--O 1.228 -0.221 0 C-N-CA 121.199 -0.525 . . . . 10.0 113.081 -179.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -91.18 1.61 56.97 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.176 -0.676 . . . . 10.0 109.176 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 62' ' ' GLU . . . . . 0.425 ' C ' ' H ' ' C' ' 64' ' ' TYR . 40.0 mm-40 67.77 -157.94 0.21 Allowed 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.401 -0.818 . . . . 10.0 111.444 -179.354 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 76.2 -24.3 0.22 Allowed 'General case' 0 N--CA 1.466 0.347 0 O-C-N 123.609 0.568 . . . . 10.0 111.582 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 64' ' ' TYR . . . . . 0.425 ' H ' ' C ' ' C' ' 62' ' ' GLU . 47.4 m-85 -96.13 79.87 3.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.528 -0.306 . . . . 10.0 110.532 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -78.11 -59.62 2.71 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.011 -0.54 . . . . 10.0 111.048 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.72 -35.48 65.09 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.85 -0.614 . . . . 10.0 111.981 -179.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 27.5 ttt -61.4 -35.58 77.91 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.153 0.501 . . . . 10.0 110.937 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 68' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -65.72 -32.28 73.75 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.883 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.38 -23.83 67.43 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.318 -0.401 . . . . 10.0 111.344 -179.567 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -62.22 -58.88 6.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.478 -0.328 . . . . 10.0 111.655 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 71' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.45 -14.04 61.59 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.446 0.535 . . . . 10.0 112.446 -179.53 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 19.3 mmt -69.43 -22.29 63.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.113 0.482 . . . . 10.0 110.538 179.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 68.6 mtt85 -86.12 -49.38 7.81 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.649 -179.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.34 -40.17 74.25 Favored 'General case' 0 C--O 1.238 0.45 0 O-C-N 123.348 0.405 . . . . 10.0 111.925 -179.247 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.73 135.38 38.23 Favored Glycine 0 C--N 1.333 0.376 0 O-C-N 123.579 0.549 . . . . 10.0 112.922 -179.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -100.9 -52.79 3.21 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.841 -0.429 . . . . 10.0 109.841 179.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -102.11 124.71 8.29 Favored Glycine 0 N--CA 1.441 -0.998 0 N-CA-C 111.1 -0.8 . . . . 10.0 111.1 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 78' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -105.6 122.59 46.35 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.414 0.626 . . . . 10.0 111.513 -179.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 18.5 tp -96.66 97.65 9.54 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.452 -0.794 . . . . 10.0 109.66 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 79.4 m -79.67 101.32 8.31 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.959 0.409 . . . . 10.0 110.294 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 62.0 t -106.73 129.49 60.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.857 -0.61 . . . . 10.0 111.554 -179.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -135.67 167.67 20.69 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.636 -0.711 . . . . 10.0 109.451 179.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -106.38 135.18 48.32 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.486 -0.325 . . . . 10.0 110.193 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 84' ' ' ILE . . . . . . . . . . . . . 39.9 pt -68.02 -12.36 15.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 112.316 0.487 . . . . 10.0 112.316 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -97.7 -13.66 21.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.245 0.545 . . . . 10.0 110.04 179.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 48.6 t-20 -106.81 93.91 4.82 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.966 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.23 -35.68 74.09 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.609 -0.723 . . . . 10.0 112.099 -179.098 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 14.6 tttp -65.07 -40.04 94.11 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.496 -0.32 . . . . 10.0 111.619 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 95.2 p -61.02 -28.18 68.86 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.842 0.353 . . . . 10.0 111.412 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 92.6 t80 -69.73 -36.93 76.28 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.416 0.626 . . . . 10.0 109.33 178.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -80.06 -27.86 39.31 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.6 -0.727 . . . . 10.0 109.705 179.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.92 -35.73 73.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.547 -0.751 . . . . 10.0 110.664 178.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 51.5 mm -59.17 -39.12 77.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.74 -0.664 . . . . 10.0 111.07 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -59.5 -41.07 89.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.39 -0.368 . . . . 10.0 110.321 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 31.1 m-70 -74.01 -39.76 63.37 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.954 -0.566 . . . . 10.0 110.894 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -63.91 -46.97 82.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.718 179.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -57.51 -42.44 82.78 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.951 -0.568 . . . . 10.0 111.245 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -66.46 -37.39 85.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.293 -0.412 . . . . 10.0 111.72 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -63.53 -45.71 89.34 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.337 -0.616 . . . . 10.0 109.337 179.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 81.9 mt -56.81 -46.76 83.5 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 CA-C-N 115.713 -0.676 . . . . 10.0 110.387 179.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 31.3 mtpt -59.98 -39.22 84.96 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.837 -0.62 . . . . 10.0 111.174 179.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 8.2 tmm_? -70.11 -46.51 64.68 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.477 -0.783 . . . . 10.0 111.706 -179.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 40.1 t -62.86 -50.85 78.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 112.067 0.395 . . . . 10.0 112.067 -179.304 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 22.4 mtpp -79.8 -16.12 56.13 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 112.546 0.573 . . . . 10.0 112.546 -178.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 3.7 t70 60.01 48.06 9.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.686 0.755 . . . . 10.0 110.591 -179.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 44.8 m -147.79 139.96 24.28 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.578 -0.737 . . . . 10.0 110.981 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 26.8 tp10 -77.74 -42.21 34.99 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.444 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -96.54 107.99 20.49 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.095 -0.502 . . . . 10.0 111.14 -179.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 88.2 t -131.55 133.96 24.96 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.851 -0.613 . . . . 10.0 109.662 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -55.43 110.42 0.55 Allowed 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 122.552 2.168 . . . . 10.0 110.991 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 111' ' ' MET . . . . . . . . . . . . . 9.9 ttm -142.87 146.72 34.37 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.297 -178.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 88.6 t -133.79 131.47 56.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 109.573 -0.529 . . . . 10.0 109.573 179.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 15.4 tp -92.54 117.2 29.7 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.247 -0.649 . . . . 10.0 109.247 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 70.0 t -124.67 130.52 73.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 121.194 0.521 . . . . 10.0 111.898 -179.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -107.96 125.45 7.91 Favored Glycine 0 N--CA 1.444 -0.793 0 N-CA-C 110.285 -1.126 . . . . 10.0 110.285 178.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -103.38 168.42 9.17 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.943 0.372 . . . . 10.0 110.625 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 93.9 mttt 66.71 29.91 8.4 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 123.409 0.684 . . . . 10.0 112.001 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 118' ' ' CYS . . . . . 0.403 ' HG ' ' CB ' ' C' ' 143' ' ' GLU . 53.5 m -70.93 -6.7 40.55 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.32 0.489 . . . . 10.0 112.32 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -87.25 -8.67 56.54 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.295 -0.411 . . . . 10.0 110.216 179.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 1.7 mt -98.89 132.38 23.82 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.834 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.57 -174.73 2.12 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.993 2.462 . . . . 10.0 111.862 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 12.4 m 60.44 42.22 14.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.886 -0.597 . . . . 10.0 111.724 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 -73.57 145.47 45.45 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.366 -0.379 . . . . 10.0 110.925 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 1.3 p -101.96 -18.24 15.76 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.193 0.52 . . . . 10.0 110.608 179.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 59.8 t -104.52 124.06 58.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.688 -0.687 . . . . 10.0 111.109 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.99 147.95 27.16 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.914 -0.585 . . . . 10.0 110.237 -179.781 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 10.7 m -68.39 -40.28 81.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.918 0.39 . . . . 10.0 110.401 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt -60.43 -47.74 84.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.666 -0.697 . . . . 10.0 110.78 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -66.64 -31.93 72.93 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.863 0.363 . . . . 10.0 111.256 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.14 -37.56 69.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.191 0.519 . . . . 10.0 109.735 179.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -71.3 -32.82 69.09 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.604 -0.725 . . . . 10.0 111.089 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -64.2 -41.64 96.98 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.276 0.56 . . . . 10.0 109.567 178.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 22.1 tp -67.58 -39.29 84.87 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.528 -0.76 . . . . 10.0 109.264 178.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.77 -36.47 84.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.532 -0.758 . . . . 10.0 109.894 179.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -65.3 -38.26 89.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.989 -0.55 . . . . 10.0 109.832 179.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 9.7 t -66.56 -35.69 80.83 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.163 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 19.8 m-30 -79.82 -37.65 34.66 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.048 -0.523 . . . . 10.0 110.826 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 92.66 33.88 7.24 Favored Glycine 0 N--CA 1.446 -0.69 0 N-CA-C 110.48 -1.048 . . . . 10.0 110.48 -179.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 48.0 pt -126.02 157.24 70.13 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 115.635 -0.282 . . . . 10.0 110.381 -179.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_endo -79.35 150.53 22.45 Favored 'Trans proline' 0 CA--C 1.532 0.395 0 C-N-CA 122.253 1.969 . . . . 10.0 112.273 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -122.6 121.88 37.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.047 179.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 59.6 mt -123.99 123.94 67.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.248 -0.433 . . . . 10.0 111.647 -179.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 143' ' ' GLU . . . . . 0.403 ' CB ' ' HG ' ' C' ' 118' ' ' CYS . 52.6 mt-10 -84.06 129.59 34.9 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.409 -0.96 . . . . 10.0 108.409 178.015 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 46.5 p -135.45 168.54 19.03 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.564 0.697 . . . . 10.0 112.681 -178.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 13.7 t -146.61 113.2 5.99 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.192 -1.04 . . . . 10.0 108.192 178.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -65.11 -26.34 68.17 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.236 -0.438 . . . . 10.0 111.246 -179.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 31.1 mtpt -71.21 -22.82 61.96 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.824 0.676 . . . . 10.0 112.824 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -123.68 2.72 8.9 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.972 0.36 . . . . 10.0 111.972 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 14.7 ttt85 57.91 30.47 19.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.36 0.6 . . . . 10.0 110.22 -178.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -66.76 99.71 0.63 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.356 -0.838 . . . . 10.0 112.712 -178.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 61.36 16.46 49.62 Favored Glycine 0 CA--C 1.52 0.403 0 CA-C-N 115.751 -0.659 . . . . 10.0 114.663 178.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 49.5 t -64.96 -39.62 86.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 117.231 0.516 . . . . 10.0 110.424 -179.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.54 -45.1 80.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.892 -0.595 . . . . 10.0 110.355 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -64.98 -40.22 94.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.593 -0.731 . . . . 10.0 112.073 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -57.77 -43.93 85.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.684 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 9.2 m-30 -69.43 -38.79 78.02 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.562 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 13.0 m-30 -63.35 -40.16 96.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.127 0.489 . . . . 10.0 110.645 179.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 92.6 m -62.52 -32.32 73.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.752 -0.658 . . . . 10.0 111.212 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 38.0 tp -63.08 -34.25 77.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.35 0.595 . . . . 10.0 109.888 178.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 62.2 t -71.63 -37.29 62.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.695 -0.684 . . . . 10.0 109.688 178.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -61.81 -38.61 88.75 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.726 -0.67 . . . . 10.0 109.932 179.242 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 162' ' ' GLU . . . . . 0.402 ' CD ' ' HZ3' ' C' ' 165' ' ' LYS . 72.4 mm-40 -62.33 -38.57 89.98 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.991 -0.549 . . . . 10.0 111.195 179.554 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 62.6 mt -64.01 -46.72 93.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-O 120.901 0.382 . . . . 10.0 110.448 179.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 81.0 mtt180 -62.37 -40.88 97.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.902 -0.59 . . . . 10.0 109.664 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 165' ' ' LYS . . . . . 0.402 ' HZ3' ' CD ' ' C' ' 162' ' ' GLU . 33.9 ttmt -62.41 -46.85 86.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.388 -0.823 . . . . 10.0 110.089 179.312 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -55.08 -50.41 69.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.603 -0.726 . . . . 10.0 110.721 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 47.4 mttt . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 116.338 -0.392 . . . . 10.0 111.544 -179.567 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 10.9 tttm . . . . . 0 C--O 1.233 0.204 0 CA-C-O 120.945 0.403 . . . . 10.0 110.716 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 91.2 mt -65.03 -34.95 79.66 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.003 -0.544 . . . . 10.0 111.416 -179.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 93.7 mt -71.53 -43.93 65.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.441 -0.345 . . . . 10.0 111.213 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -69.22 -45.03 70.86 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.326 -0.397 . . . . 10.0 110.924 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -59.27 -39.18 82.1 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 116.259 -0.428 . . . . 10.0 109.926 178.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 66.8 t90 -61.55 -40.4 94.56 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.733 -0.667 . . . . 10.0 109.846 179.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -61.93 -41.71 98.27 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.468 179.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 4.4 m -59.9 -40.59 89.27 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.003 179.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 39.8 t -69.84 -41.34 79.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.971 -0.559 . . . . 10.0 109.893 179.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 24.7 m -57.25 -48.16 79.57 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.75 -0.659 . . . . 10.0 111.508 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 13.9 m -63.53 -39.91 95.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.378 -0.374 . . . . 10.0 110.6 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 34.4 m -63.0 -37.72 88.3 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.109 0.48 . . . . 10.0 109.989 179.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -64.54 -43.29 94.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.731 -0.668 . . . . 10.0 110.059 178.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 23.3 m -64.24 -45.95 85.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.048 -0.523 . . . . 10.0 110.103 179.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 47.6 mmtt -58.63 -44.63 90.07 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.181 0.515 . . . . 10.0 109.977 178.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 28.3 mt -66.24 -36.34 82.75 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.69 -0.686 . . . . 10.0 111.207 179.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 13.1 mtt85 -70.51 -38.01 74.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.589 -0.278 . . . . 10.0 110.908 179.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -64.74 -40.32 95.1 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.475 -0.565 . . . . 10.0 109.475 178.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -72.28 -28.76 63.32 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.435 -0.802 . . . . 10.0 109.441 178.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 2.0 mt -59.81 -31.01 69.31 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 116.143 -0.481 . . . . 10.0 111.024 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -56.04 -69.11 1.37 Allowed Glycine 0 C--N 1.33 0.213 0 N-CA-C 110.737 -0.945 . . . . 10.0 110.737 178.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_exo -55.85 -38.87 93.95 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.527 2.151 . . . . 10.0 110.737 177.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 8.7 t -55.46 -51.13 60.48 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-N 116.606 -0.27 . . . . 10.0 111.243 179.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 2.3 p -67.03 -34.32 77.46 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 110.235 -0.283 . . . . 10.0 110.235 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -64.86 -52.38 56.93 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.152 -0.477 . . . . 10.0 110.084 178.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -58.37 -48.54 80.27 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 123.546 0.529 . . . . 10.0 110.464 179.147 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -59.75 -49.78 76.37 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.062 -0.517 . . . . 10.0 111.392 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -65.02 -39.93 94.12 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.207 -0.451 . . . . 10.0 110.975 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -58.15 -44.72 88.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.209 0.528 . . . . 10.0 110.189 179.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -71.45 -36.99 71.43 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.823 -0.626 . . . . 10.0 109.94 178.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 34.8 mt -62.21 -34.48 76.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.869 -0.605 . . . . 10.0 110.019 178.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -61.63 -39.17 90.33 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-N 116.014 -0.539 . . . . 10.0 110.083 178.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 43.2 mttt -67.9 -34.43 76.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.981 -0.554 . . . . 10.0 109.51 179.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -71.62 -48.35 48.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.476 -0.783 . . . . 10.0 110.332 178.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 11.8 p -64.49 -41.13 96.64 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 109.803 -0.443 . . . . 10.0 109.803 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -63.33 -45.11 92.8 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 109.345 -0.613 . . . . 10.0 109.345 178.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -59.96 -45.84 95.17 Favored Glycine 0 N--CA 1.444 -0.831 0 N-CA-C 110.851 -0.9 . . . . 10.0 110.851 178.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 73.0 mt -66.02 -31.06 71.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.441 0.162 . . . . 10.0 111.033 179.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 62.2 mtt180 -70.59 -36.91 73.81 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 109.153 -0.684 . . . . 10.0 109.153 178.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -73.27 -38.63 65.87 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.826 -0.805 . . . . 10.0 108.826 178.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -70.04 -19.12 63.31 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 115.604 -0.725 . . . . 10.0 110.049 178.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 33.4 ttm -62.83 -32.68 73.94 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.813 -0.81 . . . . 10.0 108.813 178.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -76.02 2.45 12.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.337 -0.847 . . . . 10.0 110.386 179.539 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 44.3 mttm -124.56 -61.15 1.35 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.94 -0.573 . . . . 10.0 109.923 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 246' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.27 -58.19 9.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.054 -0.521 . . . . 10.0 111.717 -179.524 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . 82.9 mt -75.84 -43.45 45.82 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.168 0.432 . . . . 10.0 112.168 -179.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -59.14 -51.26 70.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.409 -0.359 . . . . 10.0 111.77 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -68.61 -32.79 72.93 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.95 0.352 . . . . 10.0 111.95 -179.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 250' ' ' VAL . . . . . . . . . . . . . 1.8 p -68.56 -29.49 44.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 120.291 -0.564 . . . . 10.0 110.269 179.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -83.98 -41.4 17.33 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.209 0.528 . . . . 10.0 109.848 178.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -62.95 -39.45 94.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.342 0.591 . . . . 10.0 109.695 178.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -87.79 -3.81 58.92 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.683 -0.69 . . . . 10.0 110.635 179.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 254' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.5 -31.66 53.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 109.872 -0.418 . . . . 10.0 109.872 179.634 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -65.06 -62.53 4.64 Favored Pre-proline 0 N--CA 1.45 -0.451 0 CA-C-N 115.823 -0.626 . . . . 10.0 111.521 179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -57.62 -35.68 98.76 Favored 'Trans proline' 0 C--N 1.357 0.977 0 C-N-CA 121.948 1.765 . . . . 10.0 112.447 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 4.6 m-30 -68.95 -53.63 19.77 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.864 0.364 . . . . 10.0 110.719 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 43.7 mt -65.03 -43.73 91.44 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-N 116.523 -0.308 . . . . 10.0 110.896 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -57.55 -45.56 84.98 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 123.529 0.518 . . . . 10.0 111.265 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -64.22 -51.71 62.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.29 -0.414 . . . . 10.0 111.053 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -66.05 -36.9 84.47 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 115.914 -0.584 . . . . 10.0 112.182 -179.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -69.51 -39.38 77.61 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.98 -0.378 . . . . 10.0 109.98 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 15.2 ttmt -63.01 -45.04 94.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.868 -0.605 . . . . 10.0 109.37 178.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 264' ' ' LYS . . . . . . . . . . . . . 77.7 mttt -68.62 -41.09 79.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.587 -0.733 . . . . 10.0 110.245 178.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 1.9 m95 -59.75 -38.46 81.82 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.343 -0.614 . . . . 10.0 109.343 178.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -62.61 -45.83 91.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.837 -0.619 . . . . 10.0 109.589 178.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -64.48 -41.63 96.36 Favored 'General case' 0 C--O 1.232 0.146 0 N-CA-C 109.471 -0.566 . . . . 10.0 109.471 178.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -59.14 -45.43 90.97 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.747 -0.66 . . . . 10.0 110.276 178.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 79.8 mmm -68.41 -43.77 76.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.789 -0.641 . . . . 10.0 110.588 179.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -60.48 -50.21 74.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.735 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 81.0 mt -61.47 -35.94 79.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.04 0.448 . . . . 10.0 110.237 179.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.52 -37.67 83.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.198 178.734 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -75.55 -31.71 60.16 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.357 -0.383 . . . . 10.0 111.025 179.026 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -71.91 -21.34 61.64 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.304 -0.628 . . . . 10.0 109.304 178.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 275' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -96.89 -37.44 10.22 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 115.656 -0.702 . . . . 10.0 110.924 179.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 4.1 p -55.53 -33.61 33.06 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.236 0 N-CA-C 112.733 0.642 . . . . 10.0 112.733 -178.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 83.1 mt-10 -65.12 -62.37 4.84 Favored Pre-proline 0 CA--C 1.535 0.378 0 N-CA-C 111.632 0.234 . . . . 10.0 111.632 179.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -62.42 -35.39 72.49 Favored 'Trans proline' 0 C--N 1.354 0.831 0 C-N-CA 121.557 1.505 . . . . 10.0 111.839 178.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 17.1 mt -65.46 -44.81 86.04 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.624 0.249 . . . . 10.0 110.455 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 33.9 ttm180 -65.0 -35.88 82.62 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.541 -0.54 . . . . 10.0 109.541 179.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -64.0 -44.93 91.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.997 -0.547 . . . . 10.0 109.721 178.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -65.23 -43.0 92.87 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.606 -0.516 . . . . 10.0 109.606 178.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 37.4 mt -63.55 -40.81 97.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.664 -0.698 . . . . 10.0 110.533 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -63.68 -53.0 58.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.737 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -63.73 -40.96 98.03 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.99 0.424 . . . . 10.0 110.373 179.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -63.49 -43.0 98.8 Favored Glycine 0 N--CA 1.446 -0.699 0 N-CA-C 110.71 -0.956 . . . . 10.0 110.71 178.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -64.67 -47.11 79.65 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.792 -0.447 . . . . 10.0 109.792 179.06 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 61.6 mtt180 -52.32 -47.04 66.22 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.941 179.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 5.1 tm0? -60.24 -51.0 71.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.852 179.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 42.1 mttt -67.15 -34.79 78.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.808 -0.633 . . . . 10.0 111.681 -178.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 80.6 mt -68.63 -43.07 77.1 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.013 -0.366 . . . . 10.0 110.013 179.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -66.8 -36.33 82.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.014 -0.539 . . . . 10.0 109.727 178.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.73 -39.41 94.0 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 109.063 -0.717 . . . . 10.0 109.063 178.29 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 63.3 mt -67.76 -43.28 80.22 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-N 115.705 -0.68 . . . . 10.0 110.275 179.07 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -61.56 -39.93 92.9 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.976 0.417 . . . . 10.0 110.477 179.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -64.12 -9.3 15.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.416 -0.811 . . . . 10.0 112.105 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp -116.94 -26.92 6.72 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.884 0.373 . . . . 10.0 109.999 178.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 28.4 mt -72.13 -30.87 65.47 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.175 -0.466 . . . . 10.0 111.557 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 299' ' ' SER . . . . . . . . . . . . . 6.6 m -77.67 -63.97 0.44 Allowed Pre-proline 0 C--N 1.323 -0.554 0 N-CA-C 112.68 0.622 . . . . 10.0 112.68 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 300' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -61.58 -51.99 3.57 Favored 'Trans proline' 0 C--N 1.356 0.939 0 C-N-CA 122.122 1.881 . . . . 10.0 112.425 -179.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 81.1 mt -71.9 -20.77 61.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.944 0.402 . . . . 10.0 110.241 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -73.28 -53.02 8.0 Favored Glycine 0 N--CA 1.449 -0.462 0 N-CA-C 110.627 -0.989 . . . . 10.0 110.627 179.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -64.03 -38.51 91.34 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.784 -0.45 . . . . 10.0 109.784 179.186 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.53 -44.14 95.09 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.452 -0.573 . . . . 10.0 109.452 178.405 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 9.9 tpt -64.56 -37.63 88.2 Favored 'General case' 0 C--O 1.226 -0.163 0 N-CA-C 109.23 -0.656 . . . . 10.0 109.23 178.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 -63.92 -41.4 97.66 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.971 -0.559 . . . . 10.0 109.56 178.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -68.9 -36.92 78.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.942 -0.572 . . . . 10.0 109.901 179.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 25.2 mmt180 -68.33 -33.79 74.94 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.013 -0.736 . . . . 10.0 109.013 177.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -64.99 -37.91 89.21 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.306 -0.998 . . . . 10.0 108.306 177.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 310' ' ' ARG . . . . . . . . . . . . . 79.0 mtt180 -60.83 -42.08 97.02 Favored 'General case' 0 C--O 1.223 -0.309 0 N-CA-C 108.55 -0.907 . . . . 10.0 108.55 177.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -67.53 -39.37 85.04 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.778 -0.646 . . . . 10.0 109.9 178.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -59.74 -52.32 66.0 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 108.983 -0.747 . . . . 10.0 108.983 178.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 91.0 t -67.2 -37.37 79.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.397 -0.82 . . . . 10.0 111.13 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -60.17 -45.4 93.21 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-O 120.937 0.398 . . . . 10.0 110.094 179.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -63.5 -39.77 95.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.864 -0.607 . . . . 10.0 109.738 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 74.8 mt -65.47 -51.03 63.0 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 115.715 -0.675 . . . . 10.0 110.069 178.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 19.1 ttm180 -57.72 -49.41 76.63 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.005 -0.543 . . . . 10.0 111.077 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 16.7 m -64.4 -31.21 72.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.225 -0.443 . . . . 10.0 111.652 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -83.08 -41.36 18.69 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.957 -0.297 . . . . 10.0 111.44 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 85.3 mt -71.7 -18.27 62.17 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.607 -0.27 . . . . 10.0 111.572 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -55.85 -58.87 13.54 Favored Pre-proline 0 CA--C 1.538 0.489 0 N-CA-C 112.017 0.376 . . . . 10.0 112.017 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -76.34 -27.72 7.67 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 121.499 1.466 . . . . 10.0 110.869 178.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 10.5 m-30 -63.12 -42.16 99.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.18 -0.464 . . . . 10.0 111.674 -179.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 5.7 p -64.59 -38.08 89.79 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.039 -0.356 . . . . 10.0 110.039 179.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -67.17 -46.53 73.71 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 115.838 -0.619 . . . . 10.0 109.399 178.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.8 -34.9 76.73 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.013 178.789 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 22.8 mt -65.54 -37.47 86.82 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.36 -0.607 . . . . 10.0 109.36 177.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 66.1 mtt180 -65.83 -38.12 88.04 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 108.856 -0.794 . . . . 10.0 108.856 178.092 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -63.26 -42.28 99.14 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 108.933 -0.766 . . . . 10.0 108.933 178.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 50.1 mtt-85 -64.23 -49.11 73.25 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-N 115.575 -0.738 . . . . 10.0 109.714 178.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 72.3 mt -58.18 -44.39 87.98 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.758 -0.655 . . . . 10.0 110.312 179.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -60.69 -50.19 74.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.482 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -60.99 -42.93 99.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.686 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 72.5 mtt-85 -65.63 -48.39 72.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.192 -0.458 . . . . 10.0 111.086 179.388 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 49.7 mt -61.65 -39.98 93.26 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.288 -0.414 . . . . 10.0 110.921 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -67.95 -44.56 76.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.567 -0.288 . . . . 10.0 110.828 179.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -63.64 -46.98 83.2 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.905 -0.406 . . . . 10.0 109.905 179.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 75.2 mt -69.64 -16.38 63.36 Favored 'General case' 0 C--O 1.225 -0.235 0 CA-C-N 115.93 -0.577 . . . . 10.0 111.806 179.427 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 13.4 tttt -75.99 -45.1 36.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.276 0.56 . . . . 10.0 109.726 178.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -71.46 -44.58 64.51 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.551 -0.907 . . . . 10.0 108.551 178.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -62.75 -52.01 64.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 114.935 -1.03 . . . . 10.0 109.705 179.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -62.45 -40.02 98.55 Favored Glycine 0 N--CA 1.449 -0.474 0 CA-C-N 115.795 -0.639 . . . . 10.0 111.886 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -61.53 -39.7 97.7 Favored Glycine 0 N--CA 1.453 -0.212 0 N-CA-C 111.003 -0.839 . . . . 10.0 111.003 179.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -70.63 -41.37 72.28 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.486 -0.561 . . . . 10.0 109.486 178.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 52.5 mtm180 -62.42 -41.18 98.5 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.611 -0.722 . . . . 10.0 110.223 179.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 80.5 mt -63.15 -43.39 98.45 Favored 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 109.872 -0.418 . . . . 10.0 109.872 178.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.15 -40.89 91.41 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 109.372 -0.603 . . . . 10.0 109.372 178.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -69.61 -41.55 75.55 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.588 -0.733 . . . . 10.0 109.919 178.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -59.76 -40.76 89.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.403 179.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 28.8 m-70 -64.25 -41.23 97.05 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.676 -0.49 . . . . 10.0 109.676 178.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -65.16 -47.15 78.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.741 -0.663 . . . . 10.0 109.857 178.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 24.8 mttm -61.15 -42.4 98.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.952 -0.567 . . . . 10.0 109.951 178.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.38 -39.16 82.44 Favored 'General case' 0 C--O 1.224 -0.282 0 N-CA-C 109.493 -0.558 . . . . 10.0 109.493 178.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 27.3 m -63.97 -43.2 96.49 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.962 -0.563 . . . . 10.0 109.981 178.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -65.89 -38.88 89.91 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.004 0.43 . . . . 10.0 110.345 178.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 36.4 m-70 -68.69 -28.68 67.07 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.849 -0.614 . . . . 10.0 109.906 178.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 40.0 mt -77.04 -43.93 32.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.96 -0.564 . . . . 10.0 111.285 179.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -61.48 -37.89 85.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.027 0.441 . . . . 10.0 110.428 179.672 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 4.0 p -77.24 -28.04 53.53 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.175 0.512 . . . . 10.0 110.048 178.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 60.3 tp -69.35 -31.37 69.75 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.733 -0.667 . . . . 10.0 109.202 178.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 32.8 m -61.22 -32.18 71.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.031 178.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -69.36 -25.74 64.33 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.75 -0.659 . . . . 10.0 109.97 178.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 363' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -86.69 -40.54 14.98 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.064 -0.516 . . . . 10.0 109.624 178.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -70.93 -27.99 64.18 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.684 -0.689 . . . . 10.0 112.607 -178.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 21.7 mttt -110.78 -78.53 0.01 OUTLIER Pre-proline 0 CA--C 1.54 0.572 0 N-CA-C 113.223 0.823 . . . . 10.0 113.223 -179.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -55.92 -54.14 4.52 Favored 'Trans proline' 0 C--N 1.36 1.16 0 C-N-CA 122.525 2.15 . . . . 10.0 113.512 -178.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 367' ' ' ALA . . . . . . . . . . . . . . . -60.63 -52.19 66.2 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.44 0.162 . . . . 10.0 111.231 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 2.5 mt -59.3 -36.39 75.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.385 -0.37 . . . . 10.0 111.412 179.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -69.7 -43.42 72.46 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.303 -0.258 . . . . 10.0 110.303 179.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -62.46 -40.92 98.18 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 108.854 -0.795 . . . . 10.0 108.854 178.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 95.9 mt -65.62 -46.58 78.72 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-N 115.42 -0.809 . . . . 10.0 109.92 178.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 43.6 mtt180 -61.65 -49.37 76.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.762 179.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -64.81 -25.51 67.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.038 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -85.71 -32.76 17.72 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.869 -0.682 . . . . 10.0 111.433 179.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 60.6 mt -74.81 -28.42 60.7 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 122.034 0.134 . . . . 10.0 111.154 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 90.0 mt -50.85 -59.95 6.48 Favored Pre-proline 0 CA--C 1.535 0.388 0 O-C-N 123.178 0.299 . . . . 10.0 111.727 179.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -64.78 -25.71 60.62 Favored 'Trans proline' 0 C--N 1.359 1.116 0 C-N-CA 121.909 1.739 . . . . 10.0 111.433 179.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 41.6 t -68.32 -42.16 84.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 N-CA-C 109.229 -0.656 . . . . 10.0 109.229 178.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 94.8 mt -66.85 -34.9 78.81 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.993 -0.548 . . . . 10.0 109.65 178.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -69.07 -46.47 67.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.593 179.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 2.4 p -64.85 -36.06 83.12 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.387 -0.597 . . . . 10.0 109.387 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -64.92 -37.19 86.8 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 115.674 -0.694 . . . . 10.0 109.981 178.261 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -58.27 -42.44 86.53 Favored 'General case' 0 C--O 1.231 0.122 0 N-CA-C 109.462 -0.569 . . . . 10.0 109.462 178.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 47.6 t -63.24 -38.43 82.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.746 -0.661 . . . . 10.0 109.854 178.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 5.9 m -70.15 -42.69 72.21 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.844 179.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -66.27 -48.01 71.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.787 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 92.6 mt -59.47 -43.38 93.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.344 -0.389 . . . . 10.0 111.328 -179.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 15.0 p -68.84 -41.46 78.47 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 116.578 -0.283 . . . . 10.0 110.768 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -61.11 -44.84 96.73 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.45 -0.341 . . . . 10.0 110.85 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 82.2 mt -62.31 -38.35 89.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.127 179.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -65.76 -41.37 92.18 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.723 -0.671 . . . . 10.0 109.855 178.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -56.72 -47.0 80.95 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.132 0.491 . . . . 10.0 109.935 178.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -60.63 -47.5 85.95 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.604 -0.725 . . . . 10.0 110.642 179.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 3.6 m -68.85 -21.4 64.28 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.805 -0.634 . . . . 10.0 112.285 -178.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -88.52 -38.29 15.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 122.213 -0.304 . . . . 10.0 111.563 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -90.74 -32.3 16.2 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 113.546 0.943 . . . . 10.0 113.546 -178.092 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 85.7 mt -110.1 43.46 1.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.511 0.56 . . . . 10.0 112.511 -178.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 49.6 t30 . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 116.575 -0.284 . . . . 10.0 110.698 179.236 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 3.4 mm? . . . . . 0 N--CA 1.455 -0.18 0 CA-C-O 121.256 0.55 . . . . 10.0 110.333 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.07 22.28 16.23 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.587 -0.733 . . . . 10.0 109.831 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 59.7 mt -66.57 -17.28 64.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.655 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 72.9 mt -69.95 -30.7 68.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.824 -0.625 . . . . 10.0 109.54 178.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -81.31 -41.88 21.45 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.693 -0.685 . . . . 10.0 109.562 179.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -63.22 -45.62 90.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.527 -0.76 . . . . 10.0 110.043 179.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -67.04 -28.19 68.02 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.149 0.5 . . . . 10.0 110.057 179.037 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -61.19 -44.34 97.45 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.788 -0.642 . . . . 10.0 109.356 178.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 1.3 m -62.9 -37.09 85.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.723 -0.671 . . . . 10.0 109.667 179.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 52.7 t -65.92 -34.49 70.63 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-N 115.442 -0.799 . . . . 10.0 109.331 178.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 17.7 m -68.41 -42.79 78.47 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.643 -0.708 . . . . 10.0 109.563 178.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 1.6 m -63.12 -44.79 94.66 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.008 -0.542 . . . . 10.0 110.34 179.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -64.48 -37.42 87.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.766 179.411 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -58.93 -46.79 87.11 Favored 'General case' 0 C--O 1.232 0.159 0 N-CA-C 109.682 -0.488 . . . . 10.0 109.682 178.11 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 8.0 m -65.52 -37.81 87.85 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.812 -0.631 . . . . 10.0 109.578 178.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 29.6 mmtt -62.41 -37.44 85.84 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-O 121.233 0.539 . . . . 10.0 110.056 178.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 92.7 mt -67.54 -37.25 82.45 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 109.232 -0.655 . . . . 10.0 109.232 178.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -68.44 -34.45 76.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.104 178.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -66.2 -22.35 66.34 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 115.779 -0.646 . . . . 10.0 109.815 178.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -90.94 -57.02 2.95 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.345 -0.843 . . . . 10.0 108.736 178.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 36.7 mt -43.5 -52.6 6.04 Favored 'General case' 0 C--O 1.222 -0.344 0 O-C-N 123.819 0.699 . . . . 10.0 112.611 -179.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -50.63 -78.05 0.11 Allowed Glycine 0 CA--C 1.524 0.607 0 C-N-CA 121.275 -0.488 . . . . 10.0 113.015 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -54.4 -40.18 84.2 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 123.134 2.556 . . . . 10.0 112.895 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 41.3 t -62.68 -49.39 83.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 112.405 0.52 . . . . 10.0 112.405 -179.146 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 26.0 p -61.94 -31.62 71.97 Favored 'General case' 0 C--N 1.333 -0.124 0 C-N-CA 120.581 -0.448 . . . . 10.0 111.237 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -59.43 -56.45 21.9 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.896 0.379 . . . . 10.0 110.217 179.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -74.08 -29.42 61.87 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.2 -0.455 . . . . 10.0 111.537 179.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -63.96 -41.13 97.66 Favored 'General case' 0 CA--C 1.52 -0.195 0 N-CA-C 109.371 -0.603 . . . . 10.0 109.371 178.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 5.8 m95 -68.12 -37.44 81.12 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.843 -0.617 . . . . 10.0 109.614 178.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -67.57 -33.56 75.28 Favored 'General case' 0 C--N 1.334 -0.097 0 N-CA-C 108.744 -0.836 . . . . 10.0 108.744 177.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -64.26 -40.38 95.88 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.116 -1.068 . . . . 10.0 108.116 177.211 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 94.4 mt -62.73 -36.39 82.84 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.454 -0.794 . . . . 10.0 108.956 178.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -65.28 -40.94 94.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.002 -0.545 . . . . 10.0 109.808 178.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 57.2 mttp -63.31 -45.58 90.69 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.833 -0.803 . . . . 10.0 108.833 178.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 74.2 mt-10 -63.91 -51.2 65.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.547 -0.752 . . . . 10.0 111.716 179.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 2.8 p -57.17 -47.69 80.59 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.659 0.244 . . . . 10.0 111.659 -179.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -64.83 -43.44 93.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.714 0.292 . . . . 10.0 110.9 179.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -62.72 -50.6 62.61 Favored Glycine 0 N--CA 1.45 -0.389 0 N-CA-C 111.031 -0.828 . . . . 10.0 111.031 179.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 89.6 mt -61.43 -30.42 70.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.788 0.328 . . . . 10.0 110.427 179.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 24.9 mtt180 -67.2 -40.29 86.45 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-N 116.339 -0.391 . . . . 10.0 110.278 178.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -63.03 -39.23 94.14 Favored 'General case' 0 CA--C 1.522 -0.13 0 N-CA-C 109.31 -0.626 . . . . 10.0 109.31 178.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -71.43 -42.03 68.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.349 -0.841 . . . . 10.0 110.568 179.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 34.6 mmm -72.05 -38.88 69.41 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 113.385 0.883 . . . . 10.0 113.385 -179.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 9.4 p -63.01 -46.28 88.38 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.924 0.393 . . . . 10.0 109.954 179.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.2 -24.75 63.17 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.925 -0.58 . . . . 10.0 109.915 178.719 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -75.94 -58.63 3.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.58 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 75.7 mt -63.26 -43.24 98.53 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 112.838 0.681 . . . . 10.0 112.838 -178.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -61.25 -40.77 95.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.072 0.463 . . . . 10.0 110.919 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 447' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -77.09 -24.55 51.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.635 -0.711 . . . . 10.0 109.582 178.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 1.4 t -67.04 -36.0 75.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 N-CA-C 109.238 -0.653 . . . . 10.0 109.238 178.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.01 -26.79 69.02 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.429 -0.952 . . . . 10.0 108.429 177.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -100.01 20.6 14.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.204 -0.907 . . . . 10.0 109.804 178.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 32.5 mmtm -128.03 -49.92 1.33 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.723 -0.671 . . . . 10.0 110.058 179.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 61.8 t -64.49 -42.78 96.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.014 -0.539 . . . . 10.0 111.028 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -60.63 -57.63 25.13 Favored Pre-proline 0 CA--C 1.537 0.459 0 N-CA-C 112.567 0.58 . . . . 10.0 112.567 -179.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -63.06 -34.51 69.72 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 121.898 1.732 . . . . 10.0 111.638 179.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -70.03 -36.51 75.11 Favored 'General case' 0 C--O 1.224 -0.25 0 N-CA-C 109.978 -0.379 . . . . 10.0 109.978 178.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 2.0 mt -63.17 -43.18 98.97 Favored 'General case' 0 C--O 1.221 -0.427 0 N-CA-C 109.182 -0.673 . . . . 10.0 109.182 178.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -64.81 -43.81 91.92 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.286 -0.635 . . . . 10.0 109.286 178.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 458' ' ' ASP . . . . . 0.509 ' CG ' ' HZ2' ' D' ' 462' ' ' LYS . 16.4 t70 -61.07 -45.55 94.29 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 115.372 -0.831 . . . . 10.0 110.618 179.37 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -69.05 -44.74 72.03 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.564 -0.743 . . . . 10.0 110.311 179.362 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -58.94 -39.27 81.11 Favored 'General case' 0 C--O 1.224 -0.237 0 CA-C-N 116.484 -0.325 . . . . 10.0 110.426 179.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 64.4 mttt -61.99 -44.65 96.28 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 110.028 -0.36 . . . . 10.0 110.028 178.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 462' ' ' LYS . . . . . 0.509 ' HZ2' ' CG ' ' D' ' 458' ' ' ASP . 21.6 mtmm -68.15 -36.99 80.55 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.573 -0.529 . . . . 10.0 109.573 179.048 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 35.6 m0 -64.06 -40.86 97.2 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 108.727 -0.842 . . . . 10.0 108.727 177.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -61.32 -48.44 81.35 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-N 115.476 -0.784 . . . . 10.0 109.027 178.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 465' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -55.87 -57.03 13.78 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.47 -0.787 . . . . 10.0 109.481 179.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.22 -44.8 79.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.278 -0.419 . . . . 10.0 111.474 -179.632 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 61.1 mtm -62.97 -46.61 86.91 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.687 -0.233 . . . . 10.0 111.181 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -64.73 -37.46 87.67 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-O 121.02 0.438 . . . . 10.0 110.175 178.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 469' ' ' LEU . . . . . . . . . . . . . 87.3 mt -64.48 -39.65 94.21 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 115.685 -0.689 . . . . 10.0 109.176 178.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 13.2 m-30 -65.51 -34.09 77.45 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 109.517 -0.549 . . . . 10.0 109.517 178.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 75.7 mtt180 -69.76 -19.02 63.54 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.495 178.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -108.31 -1.6 19.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.968 -0.56 . . . . 10.0 110.666 179.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 473' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -123.46 -70.98 0.74 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.403 -0.362 . . . . 10.0 110.785 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 60.8 t -57.23 -39.67 68.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.508 -0.314 . . . . 10.0 111.753 -179.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -61.64 -60.23 11.0 Favored Pre-proline 0 CA--C 1.536 0.434 0 N-CA-C 112.798 0.666 . . . . 10.0 112.798 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -65.21 -36.45 36.43 Favored 'Trans proline' 0 C--N 1.355 0.878 0 C-N-CA 121.654 1.57 . . . . 10.0 111.547 178.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 29.6 mt -66.83 -28.45 68.37 Favored 'General case' 0 C--O 1.223 -0.303 0 CA-C-O 120.696 0.284 . . . . 10.0 110.253 178.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 11.5 ttt180 -62.52 -40.21 96.01 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.521 -0.918 . . . . 10.0 108.521 178.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -71.66 -37.8 70.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.304 -0.862 . . . . 10.0 109.674 178.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.27 -42.94 92.71 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.371 -0.603 . . . . 10.0 109.371 179.042 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 55.7 mt -70.98 -27.5 63.75 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.592 -0.731 . . . . 10.0 109.76 178.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -68.79 -47.09 67.0 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 108.725 -0.843 . . . . 10.0 108.725 177.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.6 -40.8 93.06 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.14 -0.689 . . . . 10.0 109.14 178.433 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -63.44 -38.85 97.01 Favored Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 110.571 -1.012 . . . . 10.0 110.571 178.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -68.05 -45.27 74.34 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 109.557 -0.534 . . . . 10.0 109.557 178.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 60.3 mtt85 -59.95 -42.25 93.65 Favored 'General case' 0 CA--C 1.515 -0.375 0 N-CA-C 109.829 -0.434 . . . . 10.0 109.829 178.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -46.54 88.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.711 -0.677 . . . . 10.0 109.345 178.243 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 16.1 tptm -63.04 -41.03 99.41 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.796 -0.638 . . . . 10.0 109.942 179.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 70.4 mt -64.91 -39.67 93.89 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.025 179.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 42.8 t60 -64.77 -45.65 85.47 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.99 -0.744 . . . . 10.0 108.99 178.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 -56.23 -42.2 76.93 Favored 'General case' 0 N--CA 1.457 -0.123 0 N-CA-C 108.45 -0.944 . . . . 10.0 108.45 178.054 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 50.4 mt -67.12 -42.64 84.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.281 -0.872 . . . . 10.0 110.961 179.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -57.55 -44.25 85.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.013 0.435 . . . . 10.0 110.87 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -73.24 7.95 1.94 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.855 -0.611 . . . . 10.0 111.712 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 495' ' ' LYS . . . . . . . . . . . . . 24.7 mttp -125.21 -44.33 1.89 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.144 0.497 . . . . 10.0 109.748 178.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 95.4 mt -62.57 -26.49 68.61 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.677 -0.692 . . . . 10.0 111.834 -179.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 497' ' ' SER . . . . . . . . . . . . . 6.5 m -83.46 -62.59 0.28 Allowed Pre-proline 0 C--N 1.321 -0.658 0 C-N-CA 120.751 -0.379 . . . . 10.0 111.953 179.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 498' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_endo -63.07 -48.65 6.07 Favored 'Trans proline' 0 C--N 1.358 1.054 0 C-N-CA 121.783 1.655 . . . . 10.0 112.116 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 499' ' ' LEU . . . . . . . . . . . . . 42.7 mt -76.19 -27.02 56.73 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.853 0.359 . . . . 10.0 110.234 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -67.19 -50.64 44.04 Favored Glycine 0 N--CA 1.446 -0.653 0 N-CA-C 110.083 -1.207 . . . . 10.0 110.083 178.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -66.6 -28.51 68.56 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 109.351 -0.611 . . . . 10.0 109.351 178.388 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 502' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -69.04 -45.54 70.19 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 109.235 -0.654 . . . . 10.0 109.235 178.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 83.8 mmm -61.05 -38.47 86.28 Favored 'General case' 0 CA--C 1.519 -0.228 0 N-CA-C 109.853 -0.425 . . . . 10.0 109.853 179.07 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -69.05 -37.27 78.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.77 -0.65 . . . . 10.0 109.844 178.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -69.85 -36.19 75.34 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 109.462 -0.57 . . . . 10.0 109.462 178.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 506' ' ' ARG . . . . . . . . . . . . . 47.7 mtt180 -64.35 -41.69 96.62 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 107.327 -1.36 . . . . 10.0 107.327 177.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -60.5 -38.75 85.35 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.064 -0.971 . . . . 10.0 109.403 178.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 508' ' ' ARG . . . . . . . . . . . . . 62.3 mtt180 -60.6 -47.61 85.44 Favored 'General case' 0 C--O 1.22 -0.457 0 N-CA-C 109.011 -0.737 . . . . 10.0 109.011 178.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -65.78 -32.94 74.76 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.085 179.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -69.19 -55.53 10.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.939 -0.573 . . . . 10.0 109.601 178.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 58.3 t -64.31 -39.47 85.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.745 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -56.93 -43.99 82.02 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 109.477 -0.564 . . . . 10.0 109.477 178.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -61.64 -48.71 79.64 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.384 -0.826 . . . . 10.0 108.948 178.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 514' ' ' LEU . . . . . . . . . . . . . 91.8 mt -58.43 -33.57 69.84 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.578 -0.737 . . . . 10.0 111.206 179.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 515' ' ' ARG . . . . . . . . . . . . . 28.3 mtt180 -63.81 -28.37 69.81 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.82 0.343 . . . . 10.0 110.157 178.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.25 6.94 22.94 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.834 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -117.72 -56.66 2.18 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.271 -0.422 . . . . 10.0 111.001 -179.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 79.8 mt -73.93 -51.68 15.3 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.121 -0.491 . . . . 10.0 111.624 -179.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 519' ' ' ALA . . . . . . . . . . . . . . . -50.46 -57.37 13.31 Favored Pre-proline 0 N--CA 1.466 0.344 0 N-CA-C 112.958 0.725 . . . . 10.0 112.958 -179.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 520' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_exo -60.82 -41.21 47.61 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 121.988 1.792 . . . . 10.0 111.312 179.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -64.6 -42.76 95.35 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.297 -0.41 . . . . 10.0 111.492 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 7.3 p -63.98 -28.82 70.07 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.829 0.347 . . . . 10.0 110.82 179.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -70.21 -41.9 73.03 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 108.821 -0.807 . . . . 10.0 108.821 178.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -71.1 -31.43 67.78 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.243 -0.89 . . . . 10.0 109.132 178.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 23.1 mt -63.08 -36.0 82.12 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 108.844 -0.799 . . . . 10.0 108.844 177.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 526' ' ' ARG . . . . . . . . . . . . . 61.4 mtt85 -63.82 -37.82 88.81 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.537 -0.542 . . . . 10.0 109.537 178.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -65.19 -41.62 94.38 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.305 -0.628 . . . . 10.0 109.305 178.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 528' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -67.49 -45.56 75.51 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.394 -0.821 . . . . 10.0 109.588 179.144 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 74.0 mt -63.26 -34.86 78.6 Favored 'General case' 0 C--O 1.219 -0.502 0 CA-C-N 115.713 -0.676 . . . . 10.0 110.147 179.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -64.19 -42.76 96.53 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 116.393 -0.367 . . . . 10.0 110.209 178.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -68.66 -38.35 80.35 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.407 -0.59 . . . . 10.0 109.407 178.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 7.4 ttm180 -65.93 -44.79 84.07 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.601 -0.727 . . . . 10.0 109.425 178.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 36.4 mt -66.04 -33.57 76.11 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 115.648 -0.705 . . . . 10.0 109.548 178.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -60.82 -44.72 96.54 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 108.505 -0.924 . . . . 10.0 108.505 178.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -70.42 -34.6 72.69 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.526 -0.761 . . . . 10.0 109.414 178.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 73.5 mt -68.44 -30.12 68.93 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.246 -0.433 . . . . 10.0 111.321 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -82.42 -35.88 27.18 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.194 -0.669 . . . . 10.0 109.194 178.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -68.0 -53.03 29.0 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.018 -0.734 . . . . 10.0 109.018 178.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -67.0 -34.25 77.34 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.462 -0.79 . . . . 10.0 109.279 178.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -63.16 -53.63 38.62 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 111.46 -0.656 . . . . 10.0 111.46 179.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -58.81 -40.7 95.42 Favored Glycine 0 N--CA 1.451 -0.309 0 N-CA-C 111.211 -0.755 . . . . 10.0 111.211 178.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -63.85 -49.0 74.5 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 109.365 -0.605 . . . . 10.0 109.365 178.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 60.1 mtt85 -63.54 -31.14 72.22 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-N 115.998 -0.546 . . . . 10.0 111.3 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 65.3 mt -62.82 -44.51 95.96 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.082 -0.711 . . . . 10.0 109.082 178.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -66.99 -41.3 87.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.731 -0.668 . . . . 10.0 109.984 178.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -64.15 -47.35 80.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.598 178.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -58.86 -47.9 83.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.145 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -64.59 -41.54 96.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.102 -0.499 . . . . 10.0 111.183 179.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -61.09 -54.5 43.86 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.033 0.444 . . . . 10.0 110.067 179.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.6 -30.61 71.7 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 116.086 -0.506 . . . . 10.0 110.621 179.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -68.98 -37.28 78.68 Favored 'General case' 0 CA--C 1.519 -0.243 0 N-CA-C 109.688 -0.486 . . . . 10.0 109.688 178.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 24.6 m -67.37 -45.52 76.03 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.982 -0.748 . . . . 10.0 108.982 178.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -62.62 -40.82 98.17 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 109.17 -0.678 . . . . 10.0 109.17 178.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 18.3 t60 -65.06 -38.75 91.84 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 109.201 -0.666 . . . . 10.0 109.201 178.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 36.9 tp -63.39 -40.76 98.1 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 109.779 -0.452 . . . . 10.0 109.779 178.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 14.4 m -65.23 -38.49 90.57 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 109.258 -0.645 . . . . 10.0 109.258 178.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 13.4 m -68.88 -33.45 73.8 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 108.861 -0.792 . . . . 10.0 108.861 178.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 40.0 mt -61.75 -49.83 74.84 Favored 'General case' 0 C--O 1.221 -0.417 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.771 178.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.41 -32.23 72.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.935 0.397 . . . . 10.0 110.2 178.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -64.2 -26.21 68.42 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.722 -0.672 . . . . 10.0 110.37 179.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 7.0 mptt -101.65 -43.2 5.94 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.397 -0.365 . . . . 10.0 111.402 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -55.76 -46.41 77.89 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.083 0.401 . . . . 10.0 112.083 -179.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 24.0 mmtp -53.99 -63.13 2.89 Favored Pre-proline 0 CA--C 1.538 0.501 0 N-CA-C 112.823 0.675 . . . . 10.0 112.823 -179.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -66.35 -35.26 32.09 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 121.743 1.629 . . . . 10.0 112.76 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -65.9 -51.31 59.81 Favored 'General case' 0 C--O 1.226 -0.179 0 C-N-CA 121.228 -0.189 . . . . 10.0 110.955 -179.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 65.3 mt -63.53 -46.28 86.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.696 -0.229 . . . . 10.0 110.966 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -62.12 -48.07 81.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.754 0.311 . . . . 10.0 111.462 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -66.0 -38.32 88.17 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.938 -0.305 . . . . 10.0 110.721 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 1.5 mt -63.0 -45.15 93.75 Favored 'General case' 0 C--O 1.225 -0.217 0 N-CA-C 109.28 -0.637 . . . . 10.0 109.28 178.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -61.64 -44.8 96.29 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.352 179.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -72.23 -13.73 61.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.474 -0.33 . . . . 10.0 111.562 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -95.16 -36.34 5.48 Favored Glycine 0 N--CA 1.449 -0.478 0 N-CA-C 111.187 -0.765 . . . . 10.0 111.187 179.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 92.9 mt -72.52 -34.91 67.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.86 -0.17 . . . . 10.0 111.035 179.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 73.7 mt -50.77 -56.97 15.17 Favored Pre-proline 0 CA--C 1.536 0.44 0 N-CA-C 112.747 0.647 . . . . 10.0 112.747 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -74.94 -32.19 5.68 Favored 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 121.722 1.615 . . . . 10.0 112.181 179.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.3 -37.54 79.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 C-N-CA 120.998 -0.281 . . . . 10.0 111.472 -179.434 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 57.2 mt -64.14 -38.19 90.16 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 109.866 -0.42 . . . . 10.0 109.866 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -67.38 -42.45 83.37 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.152 179.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 55.7 m -63.54 -40.95 98.33 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 109.288 -0.634 . . . . 10.0 109.288 178.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -62.77 -40.83 98.53 Favored 'General case' 0 N--CA 1.457 -0.111 0 CA-C-N 115.968 -0.56 . . . . 10.0 109.945 178.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -58.63 -47.44 84.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.054 178.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 93.8 t -57.45 -48.99 81.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.607 -0.724 . . . . 10.0 110.64 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 5.7 p -65.82 -36.88 84.75 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.378 -0.373 . . . . 10.0 111.827 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 14.1 m-30 -70.04 -37.33 75.55 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.436 -0.347 . . . . 10.0 111.194 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 30.5 mt -61.04 -44.91 96.69 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.793 179.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.02 -36.41 77.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.388 0.613 . . . . 10.0 110.144 179.138 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -63.76 -50.24 69.83 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.57 -0.741 . . . . 10.0 110.57 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 90.6 mt -62.06 -44.7 96.13 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.939 -0.573 . . . . 10.0 111.404 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -60.6 -52.27 65.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 10.0 111.009 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -63.13 -39.54 94.97 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 116.48 -0.327 . . . . 10.0 111.688 -179.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 2.4 m-30 -62.91 -40.14 96.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.987 0.422 . . . . 10.0 110.461 179.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 12.4 m -72.06 -25.15 61.67 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.2 -0.454 . . . . 10.0 110.272 179.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -70.86 -40.72 72.13 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.397 0.618 . . . . 10.0 109.531 178.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -71.83 -49.99 33.59 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.604 -0.726 . . . . 10.0 109.593 179.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 96.7 mt -90.11 61.08 5.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.894 -0.594 . . . . 10.0 109.958 179.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 . . . . . 0 C--N 1.321 -0.635 0 CA-C-N 115.615 -0.721 . . . . 10.0 111.432 -179.355 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 3.8 m . . . . . 0 C--O 1.233 0.233 0 CA-C-O 120.874 0.368 . . . . 10.0 110.929 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.94 132.32 35.26 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.341 -0.39 . . . . 10.0 110.439 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -98.83 126.8 44.58 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.198 -0.297 . . . . 10.0 110.198 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -121.72 110.96 16.58 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.849 0.357 . . . . 10.0 110.796 -179.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 58.8 mttm -83.48 101.13 11.19 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.923 -0.58 . . . . 10.0 110.247 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 26.1 mt -110.29 123.95 50.75 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.698 -0.683 . . . . 10.0 110.577 -178.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 23.5 t -108.71 132.81 55.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.415 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 21.7 t -96.14 118.59 42.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 109.157 -0.683 . . . . 10.0 109.157 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 26.4 m -115.74 156.8 16.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.264 -0.425 . . . . 10.0 111.642 -179.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 156.16 164.49 13.39 Favored Glycine 0 N--CA 1.444 -0.826 0 N-CA-C 110.866 -0.893 . . . . 10.0 110.866 -179.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.23 -176.68 1.52 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.13 0.49 . . . . 10.0 111.607 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -76.77 137.07 39.06 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.033 -0.53 . . . . 10.0 111.937 -179.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 68.61 41.23 84.77 Favored Glycine 0 N--CA 1.453 -0.192 0 CA-C-N 115.354 -0.839 . . . . 10.0 114.569 178.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 30.9 m -106.92 -15.01 9.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 C-N-CA 120.489 -0.484 . . . . 10.0 111.498 179.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 113.17 16.73 8.17 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.878 -0.677 . . . . 10.0 112.977 179.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 2.5 mmmm -54.66 -58.52 7.18 Favored 'General case' 0 N--CA 1.462 0.132 0 N-CA-C 112.428 0.529 . . . . 10.0 112.428 -179.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 2.0 m -67.26 -41.06 86.17 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.061 0.393 . . . . 10.0 112.061 -178.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.0 -51.87 67.87 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.553 -0.294 . . . . 10.0 111.56 -179.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 65.7 mt -60.45 -47.42 86.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.36 -0.382 . . . . 10.0 111.834 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 24.3 m -64.46 -44.44 91.05 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.292 -0.413 . . . . 10.0 112.075 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 88.0 mt -67.14 -30.39 49.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.865 0.364 . . . . 10.0 110.586 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -63.91 -25.75 68.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.973 0.416 . . . . 10.0 111.611 179.026 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 14.3 tp -92.39 -26.62 17.95 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.059 0.457 . . . . 10.0 110.864 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 49.1 mm -90.08 -59.89 2.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 112.51 0.559 . . . . 10.0 112.51 -179.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -95.32 -15.08 23.39 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.561 0.22 . . . . 10.0 111.51 -178.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 63.2 53.02 2.33 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 114.065 1.135 . . . . 10.0 114.065 178.274 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 19.5 p80 -157.25 156.33 32.3 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.735 -0.469 . . . . 10.0 109.735 178.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -95.76 129.56 42.95 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.389 0.614 . . . . 10.0 111.912 -179.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -99.91 101.58 12.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.767 -0.651 . . . . 10.0 110.598 179.268 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -73.6 -24.92 60.12 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.365 0.603 . . . . 10.0 112.008 -179.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -85.3 117.28 24.13 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.755 -0.657 . . . . 10.0 110.451 179.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -66.35 124.45 22.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.012 0.434 . . . . 10.0 111.371 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -125.25 113.01 26.1 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.963 -0.562 . . . . 10.0 109.76 179.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -60.5 127.49 22.96 Favored 'Trans proline' 0 CA--C 1.518 -0.284 0 C-N-CA 122.93 2.42 . . . . 10.0 112.059 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 4.9 m -107.62 126.07 52.11 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.186 179.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 39.6 mm -88.32 -48.54 14.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 108.548 -0.908 . . . . 10.0 108.548 178.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -172.94 103.53 0.14 Allowed 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.389 -0.823 . . . . 10.0 109.569 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -125.61 141.71 51.88 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.568 0.223 . . . . 10.0 111.01 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -114.84 143.13 45.6 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.69 0.281 . . . . 10.0 110.722 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -136.97 134.57 36.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.819 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -114.34 140.95 48.22 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.821 0.343 . . . . 10.0 110.999 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -154.38 136.16 14.46 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.187 -0.46 . . . . 10.0 110.439 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -107.97 113.59 26.9 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.11 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 3.5 t -125.34 150.14 30.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.374 -0.376 . . . . 10.0 110.579 -179.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 2.7 t -88.82 68.92 0.64 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.412 0 CA-C-O 121.594 0.712 . . . . 10.0 109.567 179.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 64.2 mt -72.41 115.88 13.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.026 -0.988 . . . . 10.0 111.171 -179.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 61.79 22.23 12.84 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.715 -0.675 . . . . 10.0 112.349 179.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.92 -6.14 76.44 Favored Glycine 0 C--O 1.226 -0.395 0 C-N-CA 120.804 -0.713 . . . . 10.0 111.665 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -102.84 124.85 49.12 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.614 -0.513 . . . . 10.0 109.614 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 3.1 m -73.95 102.67 4.19 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.098 -0.704 . . . . 10.0 109.098 179.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 3.3 m -107.26 136.9 46.3 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.217 0.451 . . . . 10.0 112.217 -177.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 53.5 tp -98.82 107.72 20.23 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 107.762 -1.199 . . . . 10.0 107.762 177.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 48.9 mt -83.36 123.1 29.31 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.977 -0.556 . . . . 10.0 112.436 -178.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -104.86 88.31 2.87 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 107.317 -1.364 . . . . 10.0 107.317 177.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 9.7 mt -88.83 140.06 16.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 115.464 -0.789 . . . . 10.0 111.906 -177.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 32.5 tp -131.74 118.04 19.42 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.99 -0.55 . . . . 10.0 111.056 179.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -99.7 104.43 16.16 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.744 -0.836 . . . . 10.0 108.744 178.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.47 161.66 13.53 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.179 -0.464 . . . . 10.0 112.01 -178.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.37 139.42 58.76 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.076 -0.511 . . . . 10.0 111.71 -179.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -123.29 27.92 5.69 Favored Glycine 0 C--O 1.227 -0.298 0 CA-C-N 115.626 -0.716 . . . . 10.0 111.43 179.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -98.16 37.31 1.45 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.513 -0.343 . . . . 10.0 110.97 -179.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 59.54 -162.33 0.25 Allowed 'General case' 0 C--O 1.234 0.262 0 O-C-N 123.495 0.497 . . . . 10.0 110.984 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 71.98 -49.03 0.69 Allowed 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 113.419 0.896 . . . . 10.0 113.419 178.363 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -76.27 85.47 3.07 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 114.105 1.15 . . . . 10.0 114.105 -178.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.97 -41.41 8.41 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.23 -0.896 . . . . 10.0 109.622 178.418 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.24 -39.62 39.71 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.769 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 27.8 ttt -64.56 -30.51 71.54 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.648 -0.705 . . . . 10.0 110.332 179.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 12.4 ttp180 -69.5 -36.29 76.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.73 -0.668 . . . . 10.0 110.262 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.9 -20.36 65.78 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.506 -0.77 . . . . 10.0 111.974 -179.708 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -78.77 -63.46 1.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.494 0.553 . . . . 10.0 112.494 -178.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 37.4 p90 -66.16 -18.27 65.24 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 113.333 0.864 . . . . 10.0 113.333 -178.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 22.5 mtt -67.43 -27.9 67.44 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.045 0.45 . . . . 10.0 110.07 178.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -75.34 -42.13 55.01 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.69 -0.686 . . . . 10.0 110.616 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 4.2 m -75.51 -44.1 45.48 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.089 -0.505 . . . . 10.0 112.001 -179.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -59.94 132.18 50.78 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 121.194 -0.526 . . . . 10.0 112.841 -179.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -96.19 -54.71 3.2 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 121.106 0.479 . . . . 10.0 109.73 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -103.02 134.02 11.66 Favored Glycine 0 N--CA 1.447 -0.579 0 N-CA-C 110.869 -0.892 . . . . 10.0 110.869 179.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -114.11 123.87 50.7 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.631 0.729 . . . . 10.0 112.481 -179.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 16.2 tp -97.71 107.94 20.55 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.22 -0.9 . . . . 10.0 109.092 179.186 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 16.4 m -87.95 96.54 10.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.312 -0.404 . . . . 10.0 110.319 -179.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 70.0 t -100.89 123.77 54.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.672 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -132.61 145.22 50.92 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.61 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -82.29 122.17 27.6 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 108.695 -0.854 . . . . 10.0 108.695 178.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 46.6 pt -65.94 -9.76 9.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 112.509 0.559 . . . . 10.0 112.509 -178.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 23.4 p-10 -101.33 6.36 42.69 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.063 0.458 . . . . 10.0 110.96 179.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 42.3 t-20 -135.29 111.38 9.57 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.028 0.442 . . . . 10.0 110.356 179.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 4.5 m -65.11 -30.98 71.96 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.775 0.657 . . . . 10.0 112.775 -178.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 47.4 tttp -58.53 -41.59 85.87 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 121.056 -0.258 . . . . 10.0 111.368 -179.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.85 -41.64 91.87 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.585 -0.28 . . . . 10.0 110.956 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -64.35 -35.32 80.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.167 0.508 . . . . 10.0 110.801 -179.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -78.66 -35.41 45.35 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.45 -32.26 72.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.883 -0.599 . . . . 10.0 111.235 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 46.5 mm -61.92 -35.07 66.04 Favored 'Isoleucine or valine' 0 C--O 1.231 0.125 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.829 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -64.3 -37.81 88.82 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 109.869 -0.419 . . . . 10.0 109.869 179.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -64.44 -44.86 89.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.039 -0.528 . . . . 10.0 109.726 179.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 13.3 m-30 -62.54 -45.21 93.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.333 -0.849 . . . . 10.0 111.458 -179.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -55.74 -47.44 76.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.18 -0.464 . . . . 10.0 111.807 -179.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -70.02 -43.43 71.33 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.098 0.407 . . . . 10.0 112.098 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -60.99 -40.21 92.64 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.627 0.251 . . . . 10.0 110.824 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 55.8 mt -56.77 -45.08 82.89 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-O 121.094 0.473 . . . . 10.0 110.038 179.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 43.1 mtmt -70.03 -18.13 63.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.01 -0.541 . . . . 10.0 111.364 -179.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 8.4 tmm_? -88.01 -29.77 20.47 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.245 179.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 89.5 t -80.27 -55.65 8.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.266 -0.425 . . . . 10.0 111.662 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -81.91 -17.99 45.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.629 -0.259 . . . . 10.0 111.293 -179.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 23.4 t0 61.27 44.22 10.0 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.47 0.652 . . . . 10.0 111.801 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 9.7 t -140.15 143.37 36.12 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.927 -0.579 . . . . 10.0 110.305 179.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -86.31 -34.41 20.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.818 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.16 92.3 9.14 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.99 0.424 . . . . 10.0 111.446 -179.045 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 47.3 t -125.81 118.06 24.22 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 115.664 -0.698 . . . . 10.0 109.448 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -59.06 112.06 1.1 Allowed 'Trans proline' 0 N--CA 1.473 0.307 0 C-N-CA 123.034 2.489 . . . . 10.0 112.113 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 60.6 mtm -137.6 146.26 43.77 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.176 -0.465 . . . . 10.0 110.477 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 50.2 t -125.72 129.89 72.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.534 -0.543 . . . . 10.0 109.534 179.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 31.4 tp -89.86 115.8 27.46 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.174 -0.676 . . . . 10.0 109.174 178.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 77.2 t -114.19 115.21 48.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 121.159 0.504 . . . . 10.0 111.766 -178.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -91.87 112.78 4.24 Favored Glycine 0 N--CA 1.445 -0.744 0 N-CA-C 109.412 -1.475 . . . . 10.0 109.412 178.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -98.22 161.64 13.6 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 117.118 0.459 . . . . 10.0 112.135 -178.158 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 58.4 mttm 69.64 35.35 2.45 Favored 'General case' 0 N--CA 1.462 0.137 0 O-C-N 124.016 0.823 . . . . 10.0 111.942 179.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 97.4 m -68.1 -22.09 64.92 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.358 0.503 . . . . 10.0 112.358 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -72.62 -21.2 61.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.747 0.308 . . . . 10.0 110.975 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 23.6 mt -65.79 132.95 94.91 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 10.0 111.317 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -75.88 143.73 26.68 Favored 'Trans proline' 0 N--CA 1.462 -0.344 0 C-N-CA 122.647 2.232 . . . . 10.0 112.28 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 2.3 m 62.54 67.4 0.71 Allowed 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.216 -0.902 . . . . 10.0 111.775 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -72.65 159.22 34.21 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.432 -0.804 . . . . 10.0 111.378 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 1.3 m -95.01 -47.91 6.2 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.233 -0.439 . . . . 10.0 111.149 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 77.9 t -89.78 109.94 21.17 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 CA-C-O 121.195 0.522 . . . . 10.0 109.891 178.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.6 153.23 39.08 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.72 -0.673 . . . . 10.0 110.046 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 4.1 m -54.73 -34.62 62.72 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.123 -0.49 . . . . 10.0 111.125 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 9.9 pttm -57.9 -62.13 2.03 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.668 -0.696 . . . . 10.0 112.835 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -61.75 -31.31 71.48 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.066 0.395 . . . . 10.0 112.066 -178.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.32 -45.83 89.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.425 -0.352 . . . . 10.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -82.58 -20.48 36.43 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 120.878 0.37 . . . . 10.0 110.409 179.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -60.4 -40.64 91.67 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.813 -0.63 . . . . 10.0 110.673 179.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 27.6 tp -71.82 -23.99 61.64 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.926 -0.579 . . . . 10.0 111.011 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -81.32 -7.22 59.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.067 -0.515 . . . . 10.0 112.11 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 42.9 ttm105 -57.9 -57.17 13.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.098 -0.501 . . . . 10.0 111.731 -179.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 5.9 t -89.78 18.51 5.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.277 0.561 . . . . 10.0 110.738 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 3.6 m-30 -106.85 -54.4 2.48 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.868 -0.605 . . . . 10.0 109.997 179.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 101.4 -4.38 54.57 Favored Glycine 0 N--CA 1.452 -0.249 0 N-CA-C 111.422 -0.671 . . . . 10.0 111.422 -178.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 36.6 pt -89.06 153.45 49.13 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 115.702 -0.249 . . . . 10.0 110.441 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -91.51 143.67 3.04 Favored 'Trans proline' 0 N--CA 1.456 -0.71 0 C-N-CA 122.535 2.157 . . . . 10.0 112.57 179.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -110.46 129.55 55.75 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.61 -0.723 . . . . 10.0 109.646 178.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 42.3 mt -125.18 130.92 72.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.572 -0.285 . . . . 10.0 111.002 -179.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -87.07 121.16 29.15 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.575 -0.898 . . . . 10.0 108.575 178.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 59.3 p -135.28 -178.52 5.14 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.157 0.503 . . . . 10.0 112.164 -178.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -169.68 124.06 0.79 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.117 -0.947 . . . . 10.0 108.647 178.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -66.38 -30.73 71.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.243 0.544 . . . . 10.0 110.604 -178.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -65.42 -36.64 84.54 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.638 -0.71 . . . . 10.0 112.492 -179.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -96.3 -16.15 21.51 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 113.321 0.86 . . . . 10.0 113.321 -178.466 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 6.1 tpt180 63.78 41.55 6.81 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.677 0.751 . . . . 10.0 110.309 -179.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -121.04 122.02 39.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.785 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 93.67 -9.25 73.84 Favored Glycine 0 N--CA 1.45 -0.376 0 CA-C-N 115.796 -0.638 . . . . 10.0 113.139 179.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 3.9 t -57.24 -63.96 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 CA-C-O 121.019 0.438 . . . . 10.0 111.193 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -62.04 -29.23 70.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.976 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -64.44 -54.9 25.4 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.898 -0.592 . . . . 10.0 111.211 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -63.45 -45.56 90.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.922 -0.581 . . . . 10.0 112.043 -179.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -58.39 -44.36 88.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.563 -0.29 . . . . 10.0 111.346 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -65.27 -41.38 94.26 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.525 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 60.3 m -62.84 -40.2 96.72 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.832 -0.622 . . . . 10.0 111.342 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 42.6 tp -60.95 -45.37 95.01 Favored 'General case' 0 C--N 1.334 -0.089 0 CA-C-O 120.865 0.364 . . . . 10.0 110.779 179.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 60.0 t -66.82 -38.17 80.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.945 -0.571 . . . . 10.0 110.434 179.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 46.6 mtm-85 -66.15 -30.97 71.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.094 -0.503 . . . . 10.0 111.079 178.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -65.18 -33.82 76.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.237 0.541 . . . . 10.0 109.926 178.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 19.9 mt -70.27 -40.78 78.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.6 -0.727 . . . . 10.0 109.353 179.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 40.8 mtt85 -70.42 -35.29 73.32 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.417 -0.586 . . . . 10.0 109.417 178.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 28.3 ttmt . . . . . 0 CA--C 1.518 -0.286 0 CA-C-N 115.428 -0.805 . . . . 10.0 109.048 178.743 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.233 0.217 0 CA-C-O 120.74 0.305 . . . . 10.0 110.65 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.3 122.5 25.18 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.418 -179.68 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -94.43 140.54 29.69 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.39 -0.596 . . . . 10.0 109.39 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -131.44 114.35 14.82 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.653 0.263 . . . . 10.0 110.921 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 29.2 mttm -78.42 115.09 17.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.895 179.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 11.2 mt -116.05 121.04 41.01 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.077 -0.511 . . . . 10.0 111.349 -178.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 87.6 t -107.02 119.88 57.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.139 -0.482 . . . . 10.0 109.844 179.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 39.9 t -88.82 111.53 22.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 109.677 -0.49 . . . . 10.0 109.677 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 4.3 m -112.29 147.18 16.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.42 -0.355 . . . . 10.0 110.649 -179.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.97 169.63 25.58 Favored Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 111.231 -0.748 . . . . 10.0 111.231 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.01 -175.25 1.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.996 0.427 . . . . 10.0 111.988 -179.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -85.17 142.75 29.24 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.023 -0.535 . . . . 10.0 111.948 -179.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 67.07 24.71 73.29 Favored Glycine 0 CA--C 1.519 0.285 0 CA-C-N 115.319 -0.855 . . . . 10.0 114.334 178.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 34.6 m -95.15 -12.62 8.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 117.346 0.573 . . . . 10.0 111.672 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 108.71 20.48 8.07 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.742 -0.742 . . . . 10.0 112.661 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 5.8 mtmm -57.54 -48.43 79.33 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.02 0.438 . . . . 10.0 111.324 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 3.2 m -79.91 -38.14 33.15 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.691 -0.686 . . . . 10.0 111.104 -179.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.41 -51.34 68.71 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.361 -0.381 . . . . 10.0 111.287 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 64.5 mt -61.66 -51.88 66.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.849 0.357 . . . . 10.0 111.66 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 19.3 m -58.57 -39.86 81.51 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.098 -0.501 . . . . 10.0 111.966 -179.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 51.1 mt -66.34 -30.88 51.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.886 0.374 . . . . 10.0 111.034 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -66.29 -28.38 68.65 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.901 0.381 . . . . 10.0 111.068 179.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 53.4 tp -84.03 -38.86 20.35 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.018 0.437 . . . . 10.0 110.868 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 40.8 mm -83.68 -69.69 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.092 -0.503 . . . . 10.0 111.846 -179.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -75.23 -22.77 57.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.448 . . . . 10.0 111.458 -178.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 71.46 31.06 2.37 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 113.717 1.006 . . . . 10.0 113.717 178.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 3.8 p80 -146.56 158.37 43.89 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 110.003 -0.369 . . . . 10.0 110.003 178.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -94.91 130.52 41.49 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.718 0.294 . . . . 10.0 110.469 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 1.2 m -98.9 110.6 26.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.885 -0.598 . . . . 10.0 110.036 179.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -79.37 -15.98 57.01 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.356 0.598 . . . . 10.0 110.419 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -80.21 127.16 32.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.813 -0.63 . . . . 10.0 110.065 179.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -78.9 112.28 15.92 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.233 -0.439 . . . . 10.0 111.015 -179.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -117.78 109.08 41.87 Favored Pre-proline 0 C--O 1.239 0.511 0 CA-C-N 116.378 -0.373 . . . . 10.0 110.448 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_exo -72.82 94.17 0.79 Allowed 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 122.521 2.148 . . . . 10.0 111.293 179.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.53 141.89 28.28 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.012 179.307 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 37.5 mm -95.41 -45.67 13.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.215 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -159.69 103.2 1.54 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.23 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -117.74 137.92 52.38 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 120.736 -0.386 . . . . 10.0 111.113 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 3.7 m -101.84 136.37 41.79 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.449 -0.342 . . . . 10.0 111.534 -178.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -131.66 129.25 40.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.494 . . . . 10.0 110.183 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -130.15 127.4 39.67 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 110.175 -0.305 . . . . 10.0 110.175 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 50.6 tttp -148.15 132.14 17.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.369 -0.378 . . . . 10.0 110.861 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -102.76 110.61 22.6 Favored 'General case' 0 C--N 1.323 -0.543 0 N-CA-C 110.291 -0.263 . . . . 10.0 110.291 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 6.7 m -130.09 174.45 12.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 120.798 0.333 . . . . 10.0 111.33 -179.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 17.4 t -99.47 107.12 20.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.069 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 59.9 mt -113.83 120.48 63.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.097 -0.501 . . . . 10.0 110.171 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 61.92 33.58 17.37 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 123.793 0.683 . . . . 10.0 112.249 179.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.17 31.21 57.78 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.95 -0.643 . . . . 10.0 113.036 179.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -148.7 134.69 19.1 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.09 -0.337 . . . . 10.0 110.09 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 5.9 m -71.87 117.12 13.06 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 110.003 -0.369 . . . . 10.0 110.003 179.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 2.2 m -121.48 143.14 49.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.929 0.395 . . . . 10.0 111.677 -178.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 60.1 tp -101.91 111.41 23.67 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.112 -0.699 . . . . 10.0 109.112 178.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 38.3 mt -80.4 118.76 22.31 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.057 -0.519 . . . . 10.0 112.155 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -107.28 76.74 1.1 Allowed 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 107.476 -1.305 . . . . 10.0 107.476 177.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 2.3 mt -87.99 148.4 4.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.193 -0.912 . . . . 10.0 112.362 -177.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 16.3 tp -138.86 121.88 16.75 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.762 -0.654 . . . . 10.0 110.52 179.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -90.18 114.37 26.32 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.775 -0.824 . . . . 10.0 108.775 179.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 62.1 p -94.96 170.19 9.6 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.077 -0.51 . . . . 10.0 112.137 -177.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -90.75 127.77 36.44 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-O 121.098 0.475 . . . . 10.0 109.925 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -103.42 27.89 17.97 Favored Glycine 0 C--O 1.225 -0.46 0 C-N-CA 120.786 -0.721 . . . . 10.0 112.655 -179.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -96.58 15.88 20.39 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.549 0.214 . . . . 10.0 111.402 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 60.49 -162.21 0.27 Allowed 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 115.997 -0.547 . . . . 10.0 111.501 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 71.7 -39.64 0.45 Allowed 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 113.156 0.799 . . . . 10.0 113.156 179.087 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -74.4 67.5 1.45 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.012 0.434 . . . . 10.0 112.167 -179.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 1.3 m -72.03 -37.1 69.8 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.506 179.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.32 -42.22 23.42 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.1 -0.5 . . . . 10.0 111.075 -179.175 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 19.2 ttt -61.6 -37.03 82.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.702 -0.681 . . . . 10.0 110.866 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 68' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 -62.33 -39.8 94.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.165 -0.471 . . . . 10.0 110.921 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -63.93 -40.62 96.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.635 -0.712 . . . . 10.0 111.018 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -54.52 -58.04 9.01 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 113.64 0.978 . . . . 10.0 113.64 -178.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 71' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -75.79 -16.78 60.06 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 113.152 0.797 . . . . 10.0 113.152 -178.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 32.2 mtt -68.42 -31.04 70.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.559 0.695 . . . . 10.0 110.417 179.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 41.1 mtm105 -80.3 -9.73 59.74 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.649 -0.705 . . . . 10.0 111.095 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -100.26 -52.2 3.45 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.392 -0.367 . . . . 10.0 111.403 -179.757 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -59.95 140.18 48.11 Favored Glycine 0 N--CA 1.452 -0.29 0 CA-C-N 115.988 -0.551 . . . . 10.0 113.313 -179.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -92.82 -43.27 9.09 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.081 0.467 . . . . 10.0 109.967 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -118.41 135.08 11.32 Favored Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 111.198 -0.761 . . . . 10.0 111.198 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 78' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -109.1 124.59 51.03 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.218 0.532 . . . . 10.0 111.903 -178.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 14.2 tp -96.13 104.26 16.2 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.576 -0.738 . . . . 10.0 109.32 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 3.4 m -83.13 97.3 8.73 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.413 -0.358 . . . . 10.0 110.134 -179.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 45.4 t -99.78 125.08 53.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.261 -0.427 . . . . 10.0 111.708 -178.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 11.4 p90 -133.17 163.88 28.29 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.004 -0.544 . . . . 10.0 109.566 178.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -103.34 130.76 50.71 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.676 -0.491 . . . . 10.0 109.676 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 84' ' ' ILE . . . . . . . . . . . . . 23.6 pt -63.51 -21.57 28.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.844 0.354 . . . . 10.0 111.571 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -96.27 8.13 44.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.642 179.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -132.57 94.89 3.5 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.137 0.494 . . . . 10.0 110.865 -179.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.45 -29.82 69.26 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.733 -0.667 . . . . 10.0 111.367 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -58.89 -48.17 82.36 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.99 179.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 77.8 p -64.23 -27.34 68.99 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-O 120.761 0.315 . . . . 10.0 111.344 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -67.32 -42.79 83.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.025 -0.534 . . . . 10.0 109.717 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -70.64 -35.07 72.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.999 -0.546 . . . . 10.0 109.782 179.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.16 -30.23 68.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.48 -0.782 . . . . 10.0 111.355 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 43.8 mm -57.3 -49.82 78.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-N 116.495 -0.321 . . . . 10.0 111.125 179.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 79.8 t60 -61.69 -42.27 98.71 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.116 0.484 . . . . 10.0 110.098 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 42.3 m170 -64.9 -32.93 74.88 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.715 -0.675 . . . . 10.0 111.207 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 18.5 m-30 -72.49 -49.81 30.43 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.348 179.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 23.4 ttt-85 -56.83 -41.46 77.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.512 -179.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -61.41 -34.35 75.22 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.295 -0.411 . . . . 10.0 111.429 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -78.94 -39.65 34.06 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-O 120.897 0.379 . . . . 10.0 110.001 178.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 92.6 mt -57.13 -46.48 84.57 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.764 179.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 35.1 mtmt -66.43 -27.72 68.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.087 -0.506 . . . . 10.0 111.157 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 15.3 ttm180 -79.28 -47.21 16.3 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.965 -0.561 . . . . 10.0 111.12 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 86.2 t -62.77 -41.01 90.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 10.0 111.211 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 7.8 mttp -88.08 -8.73 55.08 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.355 -0.384 . . . . 10.0 111.061 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 11.0 t70 54.56 56.96 6.19 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.699 -0.682 . . . . 10.0 112.01 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 35.3 t -165.28 142.06 5.68 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.715 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -80.03 -24.23 40.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.381 0.61 . . . . 10.0 109.604 179.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -102.43 110.2 22.07 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.735 -0.666 . . . . 10.0 111.505 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 57.7 t -141.61 129.4 11.86 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 115.275 -0.875 . . . . 10.0 108.926 179.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -60.43 114.21 2.02 Favored 'Trans proline' 0 C--O 1.236 0.381 0 C-N-CA 122.576 2.184 . . . . 10.0 112.182 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 111' ' ' MET . . . . . . . . . . . . . 29.7 mtm -141.78 151.19 42.62 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.844 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 42.1 t -134.22 129.31 53.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.178 179.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.36 124.95 32.55 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.416 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 70.1 t -122.89 117.87 53.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.09 0.471 . . . . 10.0 111.422 -179.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -101.03 99.06 1.91 Allowed Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 109.999 -1.24 . . . . 10.0 109.999 178.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -83.16 165.86 19.13 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.846 0.313 . . . . 10.0 111.846 -178.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 82.6 mttt 64.09 30.29 13.91 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 123.166 0.587 . . . . 10.0 111.658 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 118' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -69.55 1.67 3.86 Favored 'General case' 0 N--CA 1.463 0.193 0 N-CA-C 112.917 0.71 . . . . 10.0 112.917 -179.338 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -105.19 -0.94 26.0 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.905 0.383 . . . . 10.0 110.629 179.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 40.9 mt -87.77 134.87 34.64 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.222 -0.444 . . . . 10.0 110.505 179.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -68.81 156.24 66.06 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.882 2.388 . . . . 10.0 112.286 -179.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 19.8 m 61.71 72.9 0.49 Allowed 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 113.018 0.747 . . . . 10.0 113.018 179.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 -87.63 129.38 35.14 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.644 179.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -72.89 -45.44 58.22 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 120.751 0.31 . . . . 10.0 111.193 -179.742 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 98.7 t -85.26 118.48 32.24 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.425 0 N-CA-C 109.436 -0.579 . . . . 10.0 109.436 178.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -67.65 148.0 51.94 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.908 -0.587 . . . . 10.0 109.654 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.16 -45.93 89.7 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.469 -0.332 . . . . 10.0 110.716 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 14.2 ptpt -60.18 -48.39 81.92 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 113.095 0.776 . . . . 10.0 113.095 -179.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -67.94 -30.18 69.42 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.228 0.455 . . . . 10.0 112.228 -178.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.26 -41.79 66.34 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.709 -0.478 . . . . 10.0 109.709 179.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -67.71 -38.27 83.39 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.723 -0.671 . . . . 10.0 110.791 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -62.8 -37.47 86.86 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.836 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 7.0 tp -62.34 -42.98 99.83 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.749 -0.463 . . . . 10.0 109.749 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -68.47 -34.59 76.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.7 -0.682 . . . . 10.0 109.832 178.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? -61.28 -42.59 98.9 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.666 -0.697 . . . . 10.0 110.251 179.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 65.4 m -62.6 -33.68 75.48 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.123 -0.49 . . . . 10.0 110.828 179.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 21.8 m-30 -75.38 -32.14 60.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.834 -0.621 . . . . 10.0 109.845 179.085 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 94.77 26.31 13.31 Favored Glycine 0 N--CA 1.447 -0.571 0 N-CA-C 111.499 -0.64 . . . . 10.0 111.499 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 29.2 pt -124.65 167.14 16.68 Favored Pre-proline 0 C--O 1.238 0.476 0 N-CA-C 110.49 -0.189 . . . . 10.0 110.49 -179.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -84.12 166.26 12.82 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.706 2.271 . . . . 10.0 112.802 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -148.59 114.94 5.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.536 -0.756 . . . . 10.0 110.295 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 71.9 mt -117.95 135.84 57.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.018 0.437 . . . . 10.0 110.573 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -69.27 140.14 54.42 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.459 -0.571 . . . . 10.0 109.459 179.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -139.52 158.94 43.28 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.846 0.684 . . . . 10.0 112.846 -178.767 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 2.1 t -155.05 128.89 8.68 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.505 -0.77 . . . . 10.0 109.521 179.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -78.43 -14.25 59.47 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.228 0.537 . . . . 10.0 110.364 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -80.2 -48.34 13.26 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.68 -0.691 . . . . 10.0 111.019 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 38.8 p -90.87 -25.45 19.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.35 -0.386 . . . . 10.0 111.297 -179.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 9.6 ttt85 67.16 18.08 10.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.657 -0.701 . . . . 10.0 111.69 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -77.86 123.98 27.42 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.919 -0.582 . . . . 10.0 111.064 -179.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 74.5 -0.84 54.07 Favored Glycine 0 CA--C 1.517 0.187 0 CA-C-N 115.894 -0.594 . . . . 10.0 113.476 179.183 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 99.5 t -66.89 -45.55 87.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 120.55 0.214 . . . . 10.0 111.323 -179.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -57.76 -51.01 71.32 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.893 -0.594 . . . . 10.0 111.489 -179.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -69.69 -35.37 75.03 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.418 0.525 . . . . 10.0 112.418 -179.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -55.91 -42.39 75.96 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.669 0.271 . . . . 10.0 110.879 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -67.3 -40.57 86.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.683 179.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 16.6 m-30 -68.71 -30.37 69.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.721 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 88.5 m -60.97 -33.2 72.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.994 -0.548 . . . . 10.0 111.479 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 39.0 tp -63.57 -45.46 90.35 Favored 'General case' 0 C--O 1.23 0.078 0 CA-C-O 120.965 0.412 . . . . 10.0 110.072 179.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 79.4 t -64.86 -38.76 83.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.662 -0.699 . . . . 10.0 109.442 179.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 -61.67 -40.25 94.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.266 -0.879 . . . . 10.0 110.912 179.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -65.19 -36.6 84.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.427 -0.351 . . . . 10.0 110.99 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 72.3 mt -64.57 -39.69 86.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.055 -0.72 . . . . 10.0 109.055 178.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 69.7 mtt180 -65.41 -41.52 93.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.552 -0.749 . . . . 10.0 109.805 178.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 46.7 mtpt -63.59 -37.8 88.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.639 -0.71 . . . . 10.0 110.514 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 -61.82 -45.99 91.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.098 0.475 . . . . 10.0 110.547 179.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 94.0 mttt . . . . . 0 C--N 1.326 -0.447 0 CA-C-O 121.217 0.532 . . . . 10.0 110.392 179.369 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 5.5 tmtm? . . . . . 0 C--O 1.233 0.193 0 CA-C-O 121.014 0.435 . . . . 10.0 111.297 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 74.1 mt -68.36 -19.86 64.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.032 -0.531 . . . . 10.0 111.475 -179.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 6.3 mp -86.83 -43.19 12.66 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.169 0.509 . . . . 10.0 109.94 179.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -61.22 -43.96 98.04 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.508 -0.769 . . . . 10.0 110.473 179.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -74.23 -22.41 59.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.848 -0.614 . . . . 10.0 111.985 -179.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 79.6 t90 -69.58 -38.2 77.25 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.375 -0.602 . . . . 10.0 109.375 179.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -60.62 -30.99 70.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.537 -0.756 . . . . 10.0 110.688 179.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 1.1 m -67.43 -24.0 65.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.214 179.127 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 24.3 t -82.06 -43.85 19.64 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 CA-C-N 116.007 -0.542 . . . . 10.0 109.704 179.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -61.6 -40.28 94.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.966 179.618 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 1.6 p -64.8 -39.83 94.23 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.667 -0.494 . . . . 10.0 109.667 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 99.5 m -65.92 -45.38 82.13 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.615 -0.72 . . . . 10.0 109.62 178.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -59.31 -38.69 80.88 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.485 179.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 57.7 m -61.94 -52.16 65.18 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.349 179.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 35.2 mmtt -60.06 -40.04 88.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.201 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 94.3 mt -63.49 -50.12 70.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.779 -0.646 . . . . 10.0 110.684 179.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 37.8 mtt180 -60.39 -35.61 76.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 10.0 111.484 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -67.17 -46.85 72.74 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.115 178.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -67.35 -34.46 77.37 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.479 179.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 28.0 mt -58.29 -27.67 64.28 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.832 -0.622 . . . . 10.0 111.973 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -59.0 -71.6 0.74 Allowed Glycine 0 N--CA 1.449 -0.449 0 N-CA-C 110.261 -1.136 . . . . 10.0 110.261 178.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -55.35 -32.34 81.03 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.429 2.086 . . . . 10.0 111.469 178.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 14.1 t -61.65 -53.02 53.95 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.207 0 N-CA-C 109.841 -0.429 . . . . 10.0 109.841 178.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 22.7 m -64.47 -36.36 83.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.39 -0.368 . . . . 10.0 110.352 179.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -62.58 -50.59 70.7 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.215 -0.448 . . . . 10.0 111.243 179.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -71.53 -33.4 69.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.964 0.412 . . . . 10.0 110.287 179.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -62.76 -47.86 81.71 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.45 -0.574 . . . . 10.0 109.45 178.532 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -64.41 -37.14 86.47 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.879 -0.601 . . . . 10.0 109.839 178.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -60.72 -50.99 71.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.8 -0.636 . . . . 10.0 110.503 179.143 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -66.42 -35.1 79.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.189 -0.46 . . . . 10.0 110.398 179.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 32.5 mt -64.34 -38.12 89.92 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.145 -0.687 . . . . 10.0 109.145 178.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -66.74 -33.66 76.12 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 116.136 -0.484 . . . . 10.0 111.213 179.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 59.4 mttt -67.92 -33.73 75.25 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.533 -0.914 . . . . 10.0 108.533 178.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.2 -49.72 22.29 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.113 -0.949 . . . . 10.0 109.85 179.051 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 8.0 p -62.19 -38.44 89.12 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.26 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -62.79 -41.21 99.16 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 108.611 -0.885 . . . . 10.0 108.611 178.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -63.63 -43.83 97.36 Favored Glycine 0 N--CA 1.445 -0.738 0 N-CA-C 109.53 -1.428 . . . . 10.0 109.53 177.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 84.6 mt -64.46 -29.82 70.86 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.891 0.377 . . . . 10.0 110.332 178.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 55.4 mtt180 -73.62 -41.15 63.19 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.576 -0.528 . . . . 10.0 109.576 178.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -68.96 -36.78 78.29 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.539 -0.911 . . . . 10.0 108.539 178.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -69.55 -27.36 65.08 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.051 -0.977 . . . . 10.0 110.092 178.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 56.7 ttm -63.04 -31.59 72.76 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.286 -0.635 . . . . 10.0 109.286 179.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 2.0 m -81.42 10.48 5.66 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 115.537 -0.756 . . . . 10.0 110.517 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 37.2 mmtm -130.3 -61.58 0.97 Allowed 'General case' 0 C--O 1.224 -0.273 0 CA-C-N 115.546 -0.752 . . . . 10.0 109.127 178.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 246' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.17 -64.07 0.96 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.7 -0.682 . . . . 10.0 111.124 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . 69.8 mt -72.67 -36.15 67.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.802 -0.635 . . . . 10.0 112.3 -178.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -63.06 -52.74 61.57 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 120.964 -0.294 . . . . 10.0 111.091 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -70.72 -34.36 71.82 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 121.109 -0.236 . . . . 10.0 110.86 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 250' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.18 -34.63 67.97 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.295 0 C-N-CA 120.871 -0.332 . . . . 10.0 110.771 179.679 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -83.41 -28.06 29.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.559 -0.291 . . . . 10.0 110.908 179.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -77.46 -37.99 50.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.022 0.439 . . . . 10.0 110.437 179.204 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -88.03 -17.4 31.24 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.793 -0.64 . . . . 10.0 111.653 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 254' ' ' VAL . . . . . . . . . . . . . 1.4 p -63.65 -24.28 35.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.898 0.38 . . . . 10.0 109.986 179.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -62.83 -64.21 3.29 Favored Pre-proline 0 N--CA 1.45 -0.456 0 CA-C-N 115.723 -0.671 . . . . 10.0 110.709 179.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -65.55 -28.05 53.48 Favored 'Trans proline' 0 C--N 1.358 1.059 0 C-N-CA 121.894 1.729 . . . . 10.0 111.642 178.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -65.09 -54.29 32.27 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 109.4 -0.593 . . . . 10.0 109.4 179.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 65.0 mt -69.04 -36.57 77.86 Favored 'General case' 0 C--O 1.218 -0.556 0 CA-C-N 115.856 -0.611 . . . . 10.0 110.157 179.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -56.03 -43.65 77.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.927 0.394 . . . . 10.0 111.316 179.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -68.39 -50.57 52.03 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.119 -0.491 . . . . 10.0 111.048 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -67.02 -40.47 87.27 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.675 0.62 . . . . 10.0 112.675 -179.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -63.95 -41.69 97.53 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.861 -0.422 . . . . 10.0 109.861 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -64.31 -50.05 69.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.646 -0.706 . . . . 10.0 109.438 178.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 264' ' ' LYS . . . . . . . . . . . . . 60.0 mttt -61.07 -43.63 98.59 Favored 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 115.593 -0.731 . . . . 10.0 110.961 179.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 6.8 m95 -59.38 -40.94 88.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.888 0.375 . . . . 10.0 110.204 178.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -65.5 -44.08 88.14 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 109.406 -0.59 . . . . 10.0 109.406 178.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -63.59 -40.56 97.24 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.612 -0.514 . . . . 10.0 109.612 178.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -61.5 -44.62 96.74 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.007 -0.542 . . . . 10.0 109.71 178.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 87.8 mmm -68.06 -37.9 81.83 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.523 -0.762 . . . . 10.0 110.628 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 -61.19 -45.77 93.22 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 109.567 -0.531 . . . . 10.0 109.567 178.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 96.6 mt -66.67 -38.84 87.64 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.617 -0.72 . . . . 10.0 110.029 179.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.7 -39.87 88.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.972 0.415 . . . . 10.0 110.905 179.16 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 46.9 mtt180 -73.3 -24.27 60.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 10.0 110.656 179.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -80.19 -44.31 20.03 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.245 -0.65 . . . . 10.0 109.245 178.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 275' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -65.83 -37.08 85.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.553 -0.748 . . . . 10.0 110.943 179.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 1.2 p -59.48 -24.29 27.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 112.359 0.503 . . . . 10.0 112.359 -179.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -62.22 -64.95 2.47 Favored Pre-proline 0 CA--C 1.536 0.407 0 C-N-CA 121.078 -0.249 . . . . 10.0 110.915 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_endo -65.91 -33.27 43.18 Favored 'Trans proline' 0 C--N 1.355 0.89 0 C-N-CA 121.572 1.514 . . . . 10.0 111.085 178.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 10.7 mt -62.93 -44.43 96.1 Favored 'General case' 0 CA--C 1.523 -0.085 0 CA-C-N 116.556 -0.293 . . . . 10.0 110.896 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 -67.3 -37.45 83.38 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 109.544 -0.539 . . . . 10.0 109.544 179.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -61.98 -49.32 76.57 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.436 -0.579 . . . . 10.0 109.436 178.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -62.92 -45.35 92.92 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 116.15 -0.477 . . . . 10.0 110.23 178.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 10.3 mt -61.56 -32.81 72.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.544 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -73.61 -53.25 10.92 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.313 179.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -59.7 -46.51 88.85 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.133 0.492 . . . . 10.0 110.096 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -62.05 -43.48 99.09 Favored Glycine 0 N--CA 1.444 -0.773 0 CA-C-N 115.418 -0.81 . . . . 10.0 111.642 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -64.17 -42.2 96.81 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 110.109 -0.33 . . . . 10.0 110.109 178.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 81.7 mtt180 -57.43 -49.44 76.23 Favored 'General case' 0 C--N 1.333 -0.129 0 N-CA-C 109.853 -0.425 . . . . 10.0 109.853 179.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -61.58 -49.25 77.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.651 -0.704 . . . . 10.0 110.676 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 55.6 mttp -64.56 -34.03 77.29 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.181 -0.463 . . . . 10.0 111.241 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 20.7 mt -71.9 -40.19 69.04 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 109.263 -0.644 . . . . 10.0 109.263 178.255 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -36.4 83.83 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.291 -0.633 . . . . 10.0 109.291 178.375 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.41 -38.94 85.59 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.738 -0.838 . . . . 10.0 108.738 178.014 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 7.9 mt -72.59 -45.55 58.58 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-N 115.681 -0.691 . . . . 10.0 110.557 179.097 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -61.07 -35.98 78.41 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.133 0.42 . . . . 10.0 112.133 -179.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -73.22 -1.21 16.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.948 0.404 . . . . 10.0 110.89 179.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp -121.79 -41.94 2.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.974 179.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 37.8 mt -61.06 -24.33 66.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.436 -0.347 . . . . 10.0 111.785 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 299' ' ' SER . . . . . . . . . . . . . 4.2 m -83.48 -63.78 0.25 Allowed Pre-proline 0 CA--C 1.538 0.509 0 N-CA-C 112.078 0.399 . . . . 10.0 112.078 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 300' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -64.41 -46.87 6.68 Favored 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 121.732 1.621 . . . . 10.0 112.139 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 90.8 mt -71.96 -29.07 63.87 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 110.024 -0.361 . . . . 10.0 110.024 179.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -68.08 -47.24 60.63 Favored Glycine 0 N--CA 1.449 -0.458 0 N-CA-C 110.696 -0.962 . . . . 10.0 110.696 179.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -63.38 -41.98 98.82 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.98 -0.378 . . . . 10.0 109.98 178.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.02 -37.17 85.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.073 -0.512 . . . . 10.0 109.656 179.081 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 11.7 tpt -62.02 -35.75 79.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.878 -0.601 . . . . 10.0 109.521 179.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 48.4 mtt180 -78.22 -37.26 45.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.888 -0.597 . . . . 10.0 109.941 178.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -63.61 -45.75 88.9 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.599 -0.519 . . . . 10.0 109.599 178.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 -66.87 -32.58 73.94 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 108.985 -0.746 . . . . 10.0 108.985 178.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -64.82 -36.6 84.87 Favored 'General case' 0 CA--C 1.522 -0.126 0 N-CA-C 109.068 -0.715 . . . . 10.0 109.068 177.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 310' ' ' ARG . . . . . . . . . . . . . 81.5 mtt180 -59.92 -47.81 84.25 Favored 'General case' 0 C--O 1.22 -0.461 0 N-CA-C 108.878 -0.786 . . . . 10.0 108.878 178.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -66.92 -34.0 76.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.758 -0.655 . . . . 10.0 110.098 179.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -61.52 -50.75 71.45 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.422 -0.584 . . . . 10.0 109.422 178.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 43.8 t -73.11 -30.21 30.88 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 CA-C-N 115.518 -0.765 . . . . 10.0 110.145 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -61.51 -47.94 83.32 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.824 -0.436 . . . . 10.0 109.824 179.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -64.86 -38.57 91.43 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.132 -0.692 . . . . 10.0 109.132 178.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 28.7 mt -63.12 -51.87 64.82 Favored 'General case' 0 C--O 1.219 -0.507 0 CA-C-N 115.604 -0.725 . . . . 10.0 110.618 178.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 42.1 mtm105 -59.04 -41.95 89.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.959 0.409 . . . . 10.0 110.971 179.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 56.0 m -64.88 -20.43 66.43 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.771 -0.65 . . . . 10.0 110.96 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 11.7 m80 -100.3 -33.85 10.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.34 -0.391 . . . . 10.0 111.279 179.143 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 72.4 mt -66.71 -39.8 88.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.551 -0.295 . . . . 10.0 111.234 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -54.85 -56.78 23.88 Favored Pre-proline 0 CA--C 1.535 0.373 0 O-C-N 123.239 0.337 . . . . 10.0 111.793 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -66.41 -37.75 22.32 Favored 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 121.514 1.476 . . . . 10.0 111.862 178.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 10.3 m-30 -58.6 -52.5 65.41 Favored 'General case' 0 C--O 1.226 -0.168 0 CA-C-N 116.559 -0.292 . . . . 10.0 111.116 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 11.6 p -65.34 -40.37 93.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.515 -0.311 . . . . 10.0 110.932 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -61.25 -42.0 97.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.063 0.459 . . . . 10.0 110.579 179.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -77.45 -25.39 50.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.969 -0.56 . . . . 10.0 110.177 178.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 9.4 mt -69.69 -34.16 73.55 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 109.569 -0.53 . . . . 10.0 109.569 178.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 69.7 mtt180 -61.05 -40.77 94.89 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 108.863 -0.791 . . . . 10.0 108.863 178.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -63.63 -40.43 96.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.456 -0.793 . . . . 10.0 109.11 178.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 44.0 mtt180 -62.01 -51.73 66.82 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 109.04 -0.726 . . . . 10.0 109.04 178.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 94.8 mt -56.15 -46.16 79.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.552 -0.749 . . . . 10.0 110.213 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -59.51 -48.83 80.14 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.375 179.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -60.2 -47.93 83.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.505 . . . . 10.0 110.629 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -60.86 -46.78 89.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.636 -0.711 . . . . 10.0 110.099 179.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 52.1 mt -61.21 -46.03 92.12 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 115.982 -0.554 . . . . 10.0 111.501 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -65.19 -45.59 84.2 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 123.237 0.336 . . . . 10.0 111.097 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -64.78 -51.02 64.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.489 -0.323 . . . . 10.0 110.569 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 90.8 mt -68.62 -15.36 63.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 10.0 112.055 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 70.4 tttt -85.47 -47.91 9.48 Favored 'General case' 0 CA--C 1.519 -0.224 0 N-CA-C 109.224 -0.658 . . . . 10.0 109.224 178.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -63.34 -49.74 72.71 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 109.199 -0.667 . . . . 10.0 109.199 178.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -66.51 -37.07 84.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.596 -0.729 . . . . 10.0 109.281 178.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -61.68 -41.82 99.66 Favored Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 115.614 -0.721 . . . . 10.0 111.339 178.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -66.42 -39.86 94.27 Favored Glycine 0 N--CA 1.448 -0.512 0 N-CA-C 110.462 -1.055 . . . . 10.0 110.462 178.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -61.79 -43.25 99.23 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.942 -0.762 . . . . 10.0 108.942 178.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 32.5 mtm180 -64.9 -41.44 95.59 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 115.582 -0.736 . . . . 10.0 110.007 178.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 57.7 mt -61.3 -46.29 90.92 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.542 -0.299 . . . . 10.0 110.631 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -63.88 -40.66 97.05 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.07 179.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -67.61 -43.62 80.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.082 0.467 . . . . 10.0 110.492 178.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -62.5 -38.31 89.41 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.097 -0.501 . . . . 10.0 110.545 179.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -66.15 -39.66 89.98 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 120.96 0.409 . . . . 10.0 110.073 179.041 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -63.89 -47.83 79.08 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 109.023 -0.732 . . . . 10.0 109.023 178.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 15.7 mttm -61.77 -38.3 87.52 Favored 'General case' 0 N--CA 1.461 0.088 0 CA-C-N 115.582 -0.735 . . . . 10.0 110.012 178.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -62.64 -45.73 91.51 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.886 -0.413 . . . . 10.0 109.886 179.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 27.1 m -61.31 -39.29 89.92 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 109.411 -0.589 . . . . 10.0 109.411 178.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -66.19 -48.22 71.4 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 109.752 -0.462 . . . . 10.0 109.752 178.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -59.55 -37.12 77.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.827 178.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 55.8 mt -68.12 -36.15 79.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.967 0.413 . . . . 10.0 110.047 178.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 50.9 m -64.89 -44.64 88.94 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.01 179.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.43 -26.75 61.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.174 0.511 . . . . 10.0 109.921 178.592 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 51.5 tp -69.7 -31.76 69.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.65 -0.704 . . . . 10.0 109.112 178.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 24.0 m -62.97 -32.77 74.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.648 -0.706 . . . . 10.0 109.42 178.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -68.55 -20.06 64.53 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.59 -0.732 . . . . 10.0 110.095 179.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 363' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -93.74 -47.28 6.85 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.862 -0.608 . . . . 10.0 109.464 178.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -62.78 -32.04 73.13 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 113.267 0.84 . . . . 10.0 113.267 -178.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 61.0 mttt -107.92 -73.32 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.437 0 N-CA-C 113.886 1.069 . . . . 10.0 113.886 -179.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -58.87 -54.8 2.43 Favored 'Trans proline' 0 C--N 1.355 0.885 0 C-N-CA 122.155 1.904 . . . . 10.0 113.571 -179.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 367' ' ' ALA . . . . . . . . . . . . . . . -61.91 -44.03 97.62 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 111.606 0.224 . . . . 10.0 111.606 -179.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.68 -35.0 79.11 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 110.334 -0.247 . . . . 10.0 110.334 179.389 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -62.05 -49.15 77.13 Favored 'General case' 0 CA--C 1.512 -0.509 0 N-CA-C 108.382 -0.97 . . . . 10.0 108.382 178.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -60.17 -38.73 84.1 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.886 -1.052 . . . . 10.0 110.301 179.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 18.4 mt -64.66 -47.56 78.01 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.016 178.402 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 87.4 mtt180 -62.15 -47.04 86.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.165 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -58.44 -33.75 70.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.613 -0.721 . . . . 10.0 111.445 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -85.36 -33.24 17.57 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.738 -0.744 . . . . 10.0 111.977 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 27.2 mt -69.27 -32.3 71.39 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.848 0.314 . . . . 10.0 111.848 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 95.2 mt -52.48 -62.21 3.57 Favored Pre-proline 0 CA--C 1.534 0.36 0 N-CA-C 112.457 0.54 . . . . 10.0 112.457 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -63.86 -30.67 68.08 Favored 'Trans proline' 0 C--N 1.355 0.913 0 C-N-CA 121.728 1.619 . . . . 10.0 111.212 179.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 10.5 t -63.31 -45.85 97.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 N-CA-C 109.558 -0.534 . . . . 10.0 109.558 179.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 96.6 mt -64.25 -34.69 78.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.093 -0.503 . . . . 10.0 109.812 179.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -63.63 -46.25 86.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.314 179.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 1.5 p -68.57 -31.06 69.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.971 0.415 . . . . 10.0 110.176 178.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -64.25 -44.21 92.51 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 108.851 -0.796 . . . . 10.0 108.851 178.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -55.88 -50.7 69.92 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 115.62 -0.718 . . . . 10.0 109.185 178.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 89.9 t -56.86 -44.64 82.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.616 -0.72 . . . . 10.0 110.572 179.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 16.3 m -66.67 -36.56 82.82 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.296 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -71.63 -47.33 55.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.511 -0.313 . . . . 10.0 111.013 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 80.1 mt -60.33 -45.42 93.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.117 -0.492 . . . . 10.0 111.705 -179.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 9.7 p -65.8 -37.49 86.42 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.785 0.326 . . . . 10.0 110.781 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -64.39 -42.22 96.23 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.289 0.566 . . . . 10.0 109.496 179.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 90.6 mt -60.86 -40.08 91.57 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.484 -0.78 . . . . 10.0 109.444 178.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -61.45 -44.82 96.44 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.951 -0.568 . . . . 10.0 109.968 178.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -57.78 -45.87 85.39 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.257 -0.428 . . . . 10.0 110.786 179.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -63.56 -36.65 84.48 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.165 0.507 . . . . 10.0 110.757 179.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 8.6 m -75.4 -23.29 57.04 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.092 0.473 . . . . 10.0 111.522 -179.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -91.19 -39.36 12.16 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 112.489 0.552 . . . . 10.0 112.489 -179.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -91.69 -26.4 18.65 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 113.595 0.961 . . . . 10.0 113.595 -177.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 29.2 mt -108.76 11.05 26.59 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.874 -0.331 . . . . 10.0 111.664 -179.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 18.5 t30 . . . . . 0 C--N 1.321 -0.652 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.096 -179.924 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 CA--C 1.52 -0.181 0 CA-C-O 121.362 0.601 . . . . 10.0 110.453 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.63 30.8 1.46 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.417 -0.811 . . . . 10.0 110.841 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 85.0 mt -62.63 -47.87 81.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.975 -0.557 . . . . 10.0 109.664 179.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 33.8 mt -64.97 -35.17 80.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.883 -0.599 . . . . 10.0 110.388 178.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -64.33 -43.43 94.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.434 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -73.32 -40.12 64.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.06 179.098 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -36.44 78.39 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.424 179.577 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -59.39 -48.04 83.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.238 179.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.89 -42.39 99.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.594 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 98.8 t -62.78 -44.1 99.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.811 -0.632 . . . . 10.0 110.416 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 24.3 m -65.95 -36.39 83.21 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.433 179.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 36.1 m -64.05 -33.13 75.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.049 -0.523 . . . . 10.0 110.945 179.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -69.33 -31.81 70.5 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.839 -0.43 . . . . 10.0 109.839 178.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -67.79 -34.13 76.16 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 109.593 -0.521 . . . . 10.0 109.593 178.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 9.7 m -63.48 -45.25 91.64 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 108.3 -1.0 . . . . 10.0 108.3 178.108 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 23.4 mmtt -65.35 -35.37 80.77 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 115.553 -0.749 . . . . 10.0 110.165 178.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 2.2 mt -64.71 -42.73 95.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.889 -0.596 . . . . 10.0 109.609 178.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 54.7 mtt180 -67.21 -38.22 84.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.811 -0.632 . . . . 10.0 109.972 179.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -62.14 -37.47 85.3 Favored 'General case' 0 C--O 1.223 -0.31 0 N-CA-C 109.181 -0.674 . . . . 10.0 109.181 178.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -70.08 -53.1 18.94 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 109.213 -0.662 . . . . 10.0 109.213 178.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 74.2 mt -45.56 -44.49 12.84 Favored 'General case' 0 C--O 1.225 -0.209 0 CA-C-N 115.145 -0.934 . . . . 10.0 112.619 -179.115 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -48.19 -81.86 0.04 OUTLIER Glycine 0 CA--C 1.522 0.527 0 O-C-N 123.526 0.516 . . . . 10.0 113.822 -179.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -58.57 -41.48 64.1 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.746 2.297 . . . . 10.0 112.618 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 38.0 t -54.74 -48.94 72.19 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.108 0 N-CA-C 112.309 0.485 . . . . 10.0 112.309 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 50.5 p -69.45 -33.91 73.63 Favored 'General case' 0 CA--C 1.519 -0.227 0 C-N-CA 120.776 -0.37 . . . . 10.0 111.172 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -63.73 -50.69 68.14 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 110.026 -0.361 . . . . 10.0 110.026 179.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -72.05 -23.27 61.35 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.037 -0.356 . . . . 10.0 110.037 178.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -68.94 -43.84 74.24 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 108.222 -1.029 . . . . 10.0 108.222 177.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 5.6 m95 -66.67 -37.64 85.19 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.323 -0.991 . . . . 10.0 108.323 178.05 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -63.01 -36.74 84.58 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.339 -0.846 . . . . 10.0 108.976 177.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -72.89 -39.71 66.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.533 -0.758 . . . . 10.0 109.145 178.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 65.3 mt -56.77 -43.49 80.86 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 115.656 -0.702 . . . . 10.0 109.937 179.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -62.32 -39.27 92.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.942 179.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 48.7 mttp -63.76 -41.48 97.99 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.173 -0.677 . . . . 10.0 109.173 178.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -68.97 -50.26 50.65 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 114.998 -1.001 . . . . 10.0 111.314 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 2.7 p -59.5 -47.35 85.85 Favored 'General case' 0 CA--C 1.519 -0.244 0 C-N-CA 121.141 -0.224 . . . . 10.0 110.507 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -62.09 -47.4 84.8 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 121.045 -0.262 . . . . 10.0 110.401 178.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -57.3 -50.34 65.45 Favored Glycine 0 C--N 1.333 0.411 0 N-CA-C 111.105 -0.798 . . . . 10.0 111.105 179.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 96.3 mt -62.3 -37.86 87.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.582 0.229 . . . . 10.0 110.396 178.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 72.1 mtt180 -63.17 -37.51 87.49 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.373 -0.376 . . . . 10.0 110.672 179.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -63.59 -38.48 91.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.166 0.508 . . . . 10.0 109.638 178.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -74.71 -44.64 49.02 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.02 -0.536 . . . . 10.0 109.675 178.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 90.9 mmm -60.3 -38.15 82.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.299 -0.864 . . . . 10.0 112.908 -178.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 2.4 p -60.74 -51.31 69.91 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.93 0.395 . . . . 10.0 110.078 179.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 41.6 tttp -68.08 -39.77 82.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.159 179.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -59.61 -54.09 50.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 10.0 110.805 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 82.5 mt -63.85 -48.9 74.89 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.318 0.488 . . . . 10.0 112.318 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -61.11 -42.91 99.4 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-O 120.673 0.273 . . . . 10.0 110.749 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 447' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -68.39 -39.31 81.74 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.542 -0.54 . . . . 10.0 109.542 178.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 2.1 t -60.57 -37.46 75.29 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.288 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.03 178.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -61.38 -32.65 72.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.181 0.515 . . . . 10.0 110.166 178.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -91.32 -4.07 56.2 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.498 179.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 35.3 mmtm -99.68 -39.56 8.21 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.895 0.378 . . . . 10.0 110.241 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 71.8 t -62.97 -35.75 72.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.151 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -57.97 -62.48 5.4 Favored Pre-proline 0 CA--C 1.534 0.344 0 CA-C-N 116.658 -0.246 . . . . 10.0 111.6 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -65.74 -26.65 52.81 Favored 'Trans proline' 0 C--N 1.36 1.175 0 C-N-CA 121.609 1.539 . . . . 10.0 111.709 179.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -67.39 -50.38 59.87 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.595 -0.52 . . . . 10.0 109.595 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 32.2 mt -65.66 -35.52 81.02 Favored 'General case' 0 C--O 1.217 -0.608 0 CA-C-N 116.065 -0.516 . . . . 10.0 109.682 178.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -65.5 -51.7 58.11 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.101 -0.499 . . . . 10.0 110.27 179.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 458' ' ' ASP . . . . . 0.479 ' CG ' ' HZ2' ' D' ' 462' ' ' LYS . 6.8 t70 -59.38 -43.86 92.83 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.368 -0.833 . . . . 10.0 110.848 179.652 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -72.34 -46.63 54.69 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.804 -0.634 . . . . 10.0 112.163 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -58.83 -39.43 81.22 Favored 'General case' 0 CA--C 1.515 -0.38 0 O-C-N 122.987 0.179 . . . . 10.0 110.881 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 21.6 mttt -62.95 -41.06 99.4 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.932 -0.395 . . . . 10.0 109.932 178.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 462' ' ' LYS . . . . . 0.479 ' HZ2' ' CG ' ' D' ' 458' ' ' ASP . 18.6 mtmm -68.21 -38.04 81.5 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.627 -0.509 . . . . 10.0 109.627 178.527 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 54.8 m0 -65.57 -43.9 88.38 Favored 'General case' 0 CA--C 1.516 -0.335 0 N-CA-C 109.101 -0.703 . . . . 10.0 109.101 178.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -59.19 -48.32 82.06 Favored 'General case' 0 CA--C 1.516 -0.361 0 N-CA-C 109.124 -0.695 . . . . 10.0 109.124 178.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 465' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -54.84 -57.56 11.11 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 115.721 -0.672 . . . . 10.0 110.47 179.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -59.93 -38.25 81.82 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.057 -0.52 . . . . 10.0 111.872 -179.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 42.2 ttm -65.71 -47.37 75.58 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.031 0.443 . . . . 10.0 110.926 179.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 76.9 mt-10 -71.24 -27.73 63.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.409 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 469' ' ' LEU . . . . . . . . . . . . . 69.2 mt -74.2 -29.33 61.69 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 108.832 -0.803 . . . . 10.0 108.832 177.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 2.0 m-30 -64.49 -30.95 71.98 Favored 'General case' 0 N--CA 1.461 0.091 0 N-CA-C 109.292 -0.633 . . . . 10.0 109.292 178.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -75.86 -11.74 60.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.796 -0.638 . . . . 10.0 110.053 179.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -117.71 9.52 13.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.189 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 473' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -135.26 -65.53 0.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.647 -0.706 . . . . 10.0 110.766 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 87.1 t -62.93 -47.21 93.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.451 -0.341 . . . . 10.0 111.089 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -56.44 -58.81 14.6 Favored Pre-proline 0 CA--C 1.537 0.475 0 N-CA-C 112.406 0.521 . . . . 10.0 112.406 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -63.56 -37.81 45.4 Favored 'Trans proline' 0 C--N 1.356 0.927 0 C-N-CA 121.737 1.625 . . . . 10.0 111.771 178.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 7.1 mt -65.01 -35.01 79.8 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 109.706 -0.479 . . . . 10.0 109.706 178.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.39 -39.52 85.62 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.016 -0.735 . . . . 10.0 109.016 178.519 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -63.05 -42.01 99.63 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.128 -0.693 . . . . 10.0 109.128 178.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.91 -37.88 79.22 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 115.389 -0.823 . . . . 10.0 109.824 178.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 15.2 mt -66.95 -36.51 82.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.858 -0.61 . . . . 10.0 109.725 178.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.0 -44.73 83.97 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.991 -0.744 . . . . 10.0 108.991 178.473 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -66.57 -41.02 89.24 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 109.327 -0.62 . . . . 10.0 109.327 178.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -62.47 -40.12 98.69 Favored Glycine 0 N--CA 1.448 -0.527 0 N-CA-C 110.04 -1.224 . . . . 10.0 110.04 177.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -65.44 -39.32 91.93 Favored 'General case' 0 CA--C 1.516 -0.341 0 N-CA-C 109.18 -0.674 . . . . 10.0 109.18 178.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 73.6 mtt180 -62.94 -40.83 98.84 Favored 'General case' 0 CA--C 1.52 -0.176 0 N-CA-C 109.31 -0.626 . . . . 10.0 109.31 178.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -66.5 -48.79 68.7 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-N 115.631 -0.713 . . . . 10.0 109.389 178.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -61.5 -39.9 92.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.546 179.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 30.7 mt -64.18 -39.55 94.23 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.438 -0.578 . . . . 10.0 109.438 178.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 35.5 t60 -64.56 -43.24 94.55 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.239 -1.023 . . . . 10.0 108.239 178.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -58.61 -46.65 86.56 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 115.593 -0.73 . . . . 10.0 109.187 177.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 87.4 mt -63.52 -40.19 96.4 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-N 115.472 -0.785 . . . . 10.0 111.261 179.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -59.95 -35.3 74.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.155 0.503 . . . . 10.0 110.114 178.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -78.07 11.15 2.42 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.67 -0.695 . . . . 10.0 110.667 178.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 495' ' ' LYS . . . . . . . . . . . . . 11.6 mttp -132.11 -45.0 0.93 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.559 179.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 97.1 mt -60.95 -32.44 71.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.987 -0.551 . . . . 10.0 111.649 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 497' ' ' SER . . . . . . . . . . . . . 15.9 m -78.17 -62.64 0.5 Allowed Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 116.385 -0.37 . . . . 10.0 111.926 179.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 498' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -63.23 -59.78 0.21 Allowed 'Trans proline' 0 C--N 1.356 0.96 0 C-N-CA 121.985 1.79 . . . . 10.0 112.451 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 499' ' ' LEU . . . . . . . . . . . . . 17.4 mt -65.16 -32.42 74.1 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-N 116.771 -0.195 . . . . 10.0 110.948 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -63.5 -48.12 80.99 Favored Glycine 0 N--CA 1.445 -0.755 0 N-CA-C 110.993 -0.843 . . . . 10.0 110.993 178.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -67.89 -35.65 78.86 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.13 -0.693 . . . . 10.0 109.13 178.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 502' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -63.54 -47.42 81.68 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 115.522 -0.763 . . . . 10.0 110.096 179.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 84.0 mmm -59.49 -38.13 80.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.004 0.431 . . . . 10.0 110.072 179.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -66.54 -40.8 89.28 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.782 -0.644 . . . . 10.0 109.57 178.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -68.28 -37.33 80.58 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.126 -0.488 . . . . 10.0 109.801 178.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 506' ' ' ARG . . . . . . . . . . . . . 50.1 mtt180 -63.24 -43.58 97.66 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 107.783 -1.191 . . . . 10.0 107.783 177.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -60.17 -40.54 90.3 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.124 -0.944 . . . . 10.0 109.462 178.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 508' ' ' ARG . . . . . . . . . . . . . 83.5 mtt180 -58.54 -50.33 74.18 Favored 'General case' 0 C--O 1.222 -0.368 0 N-CA-C 108.959 -0.756 . . . . 10.0 108.959 178.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -58.54 -36.15 73.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.537 -0.756 . . . . 10.0 111.913 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 37.1 m-70 -76.67 -49.49 16.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.656 -0.247 . . . . 10.0 110.788 179.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 76.4 t -63.3 -42.75 97.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.511 -0.313 . . . . 10.0 110.676 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -60.89 -36.37 79.07 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.157 0.503 . . . . 10.0 109.781 179.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -69.66 -44.15 71.13 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.637 -0.875 . . . . 10.0 108.637 178.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 514' ' ' LEU . . . . . . . . . . . . . 92.1 mt -60.1 -28.47 67.87 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 116.103 -0.498 . . . . 10.0 110.799 179.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 515' ' ' ARG . . . . . . . . . . . . . 79.7 mtt180 -66.42 -29.07 69.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.945 -0.57 . . . . 10.0 110.237 178.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -103.86 -6.49 21.32 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 115.753 -0.658 . . . . 10.0 110.733 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 25.0 m170 -102.09 -55.68 2.43 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.0 -0.545 . . . . 10.0 111.461 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 86.4 mt -78.35 -54.77 5.83 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.497 0.554 . . . . 10.0 112.497 -178.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 519' ' ' ALA . . . . . . . . . . . . . . . -48.78 -59.43 6.26 Favored Pre-proline 0 CA--C 1.537 0.462 0 N-CA-C 113.796 1.036 . . . . 10.0 113.796 -178.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 520' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -60.63 -37.28 80.77 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 121.725 1.617 . . . . 10.0 111.057 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -65.37 -37.24 86.43 Favored 'General case' 0 C--O 1.224 -0.276 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.265 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 13.6 m -62.62 -37.59 86.91 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.097 0.475 . . . . 10.0 110.072 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -66.68 -38.83 87.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.875 -0.602 . . . . 10.0 109.649 179.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -70.83 -36.75 73.04 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.145 -0.687 . . . . 10.0 109.145 178.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 66.2 mt -62.32 -34.59 76.92 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 109.232 -0.655 . . . . 10.0 109.232 178.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 526' ' ' ARG . . . . . . . . . . . . . 63.7 mtt180 -63.52 -40.63 97.53 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.546 -0.538 . . . . 10.0 109.546 178.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -63.16 -38.85 92.78 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.844 -0.617 . . . . 10.0 109.703 178.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 528' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -71.4 -45.3 63.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.638 -0.71 . . . . 10.0 109.586 179.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 41.4 mt -62.89 -34.67 77.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.784 -0.644 . . . . 10.0 110.425 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -64.43 -38.18 90.12 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.22 -0.659 . . . . 10.0 109.22 178.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -67.62 -43.6 80.01 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.103 -0.703 . . . . 10.0 109.103 178.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -64.35 -40.66 96.31 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.711 -0.677 . . . . 10.0 109.633 178.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 16.0 mt -64.17 -38.72 92.09 Favored 'General case' 0 C--O 1.223 -0.291 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 178.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -63.15 -41.04 99.21 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.982 -0.747 . . . . 10.0 108.982 178.256 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -66.48 -41.68 88.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.547 -0.751 . . . . 10.0 109.491 178.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 49.2 mt -68.07 -24.28 65.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.718 179.143 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 39.8 mtmt -81.1 -43.25 19.72 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.098 -0.704 . . . . 10.0 109.098 178.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -66.01 -48.58 70.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.774 -0.648 . . . . 10.0 109.563 179.255 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -75.19 -31.34 60.92 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.902 -0.59 . . . . 10.0 109.866 179.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -63.22 -52.58 46.19 Favored Glycine 0 N--CA 1.45 -0.431 0 N-CA-C 111.135 -0.786 . . . . 10.0 111.135 179.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -60.46 -38.71 95.25 Favored Glycine 0 N--CA 1.449 -0.479 0 N-CA-C 110.938 -0.865 . . . . 10.0 110.938 178.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -64.53 -50.26 68.04 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.8 -0.445 . . . . 10.0 109.8 178.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -59.85 -40.47 88.67 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 116.163 -0.471 . . . . 10.0 110.157 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 79.6 mt -64.27 -42.34 96.49 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-O 120.979 0.418 . . . . 10.0 109.881 179.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -62.01 -39.46 92.36 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.476 -0.564 . . . . 10.0 109.476 179.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -70.7 -44.16 67.49 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.565 -0.743 . . . . 10.0 109.854 178.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -59.67 -49.51 77.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.598 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 38.0 m-70 -64.71 -38.94 92.7 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.952 0.406 . . . . 10.0 110.659 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -66.72 -47.46 72.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.137 0.494 . . . . 10.0 109.939 179.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.7 -23.02 65.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.723 -0.671 . . . . 10.0 110.477 179.501 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -68.13 -42.53 80.04 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.397 -0.594 . . . . 10.0 109.397 178.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 2.6 m -68.16 -41.11 82.01 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.784 -0.644 . . . . 10.0 109.297 178.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -63.23 -41.55 99.11 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 109.008 -0.738 . . . . 10.0 109.008 178.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -65.29 -41.25 94.31 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 115.556 -0.747 . . . . 10.0 109.083 178.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 30.1 tp -60.34 -47.28 86.71 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.607 -0.724 . . . . 10.0 110.698 179.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 2.9 p -64.72 -40.6 95.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.421 -0.354 . . . . 10.0 111.411 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 1.5 p -70.58 -33.4 71.04 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.845 0.355 . . . . 10.0 110.911 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 38.1 mt -70.36 -51.84 26.9 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.243 178.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 12.5 p -65.33 -33.97 77.23 Favored 'General case' 0 C--N 1.332 -0.155 0 O-C-N 123.265 0.353 . . . . 10.0 110.625 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -52.67 -37.55 58.97 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.144 178.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 36.2 mttp -99.15 -33.91 10.58 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.01 -0.541 . . . . 10.0 111.818 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -55.37 -37.66 67.81 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 111.857 0.317 . . . . 10.0 111.857 -179.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -65.5 -63.3 3.52 Favored Pre-proline 0 CA--C 1.539 0.521 0 N-CA-C 111.953 0.353 . . . . 10.0 111.953 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_endo -63.14 -35.25 65.55 Favored 'Trans proline' 0 C--N 1.354 0.844 0 C-N-CA 122.133 1.889 . . . . 10.0 112.085 179.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -63.58 -49.05 74.91 Favored 'General case' 0 CA--C 1.52 -0.196 0 C-N-CA 121.239 -0.184 . . . . 10.0 110.753 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 11.5 mt -63.16 -39.89 95.97 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.783 -0.367 . . . . 10.0 110.179 179.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -62.4 -56.36 18.99 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.807 -0.633 . . . . 10.0 109.935 178.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -60.19 -45.18 94.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.493 -0.776 . . . . 10.0 111.761 -179.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 36.3 mt -58.23 -44.06 88.04 Favored 'General case' 0 C--O 1.223 -0.307 0 CA-C-N 116.506 -0.316 . . . . 10.0 110.638 179.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 62.7 mtt180 -69.14 -39.18 78.99 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.873 0.368 . . . . 10.0 110.09 178.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -65.56 -23.71 66.92 Favored 'General case' 0 C--O 1.228 -0.077 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.545 179.012 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -93.35 -36.9 5.76 Favored Glycine 0 N--CA 1.443 -0.856 0 N-CA-C 111.108 -0.797 . . . . 10.0 111.108 178.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 24.6 mt -60.59 -41.41 94.65 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 122.08 0.152 . . . . 10.0 111.34 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 94.9 mt -54.22 -62.09 4.46 Favored Pre-proline 0 CA--C 1.538 0.519 0 N-CA-C 113.171 0.804 . . . . 10.0 113.171 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_endo -62.97 -37.27 54.7 Favored 'Trans proline' 0 C--N 1.355 0.887 0 C-N-CA 122.19 1.926 . . . . 10.0 112.08 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 34.6 t -64.77 -43.11 96.49 Favored 'Isoleucine or valine' 0 C--O 1.231 0.09 0 CA-C-N 116.433 -0.349 . . . . 10.0 110.463 179.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 29.9 mt -64.05 -37.85 88.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.449 -0.341 . . . . 10.0 110.486 179.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -62.24 -45.54 92.87 Favored 'General case' 0 C--N 1.334 -0.095 0 N-CA-C 109.406 -0.59 . . . . 10.0 109.406 178.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 39.8 m -65.37 -38.79 91.09 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.496 -0.557 . . . . 10.0 109.496 178.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -61.82 -40.64 95.98 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.533 -0.543 . . . . 10.0 109.533 178.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -61.02 -40.48 93.73 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.174 -0.466 . . . . 10.0 109.801 178.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 53.1 t -59.91 -50.23 80.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.469 179.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.71 -32.05 72.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 10.0 111.019 179.39 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -69.14 -51.12 41.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.881 -0.599 . . . . 10.0 110.137 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 82.1 mt -59.65 -49.97 75.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.506 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 9.1 p -59.85 -36.1 76.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.702 0.287 . . . . 10.0 111.284 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -67.1 -49.45 64.95 Favored 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 109.87 -0.419 . . . . 10.0 109.87 178.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 80.3 mt -57.59 -48.33 79.67 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 115.896 -0.593 . . . . 10.0 111.0 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -57.38 -51.01 71.14 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 116.266 -0.425 . . . . 10.0 111.442 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -66.95 -38.39 86.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.672 -0.24 . . . . 10.0 111.577 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -61.73 -38.96 89.87 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-O 120.786 0.327 . . . . 10.0 110.27 178.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 29.6 m -64.46 -31.0 72.04 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.156 0.503 . . . . 10.0 110.571 179.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -81.51 -35.87 29.88 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.647 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 5.1 mptt -74.23 -37.82 63.71 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.135 0.493 . . . . 10.0 110.994 179.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 55.4 mt -102.73 54.22 0.78 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.004 -0.544 . . . . 10.0 109.878 179.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.283 -0.417 . . . . 10.0 110.301 179.656 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 C--O 1.234 0.26 0 CA-C-O 120.748 0.308 . . . . 10.0 110.66 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.01 131.54 46.07 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 116.275 -0.421 . . . . 10.0 110.829 179.653 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -96.21 135.96 37.32 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.846 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -131.27 124.43 30.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.259 -0.428 . . . . 10.0 110.252 179.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -88.91 105.61 17.87 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.186 179.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 17.7 mt -104.97 116.96 32.85 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.829 -178.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 46.2 t -107.11 129.57 60.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.324 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 11.5 t -91.86 109.79 21.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.052 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 16.4 m -110.29 147.19 14.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.104 0.478 . . . . 10.0 111.145 -179.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 150.82 172.94 20.41 Favored Glycine 0 N--CA 1.445 -0.727 0 N-CA-C 110.946 -0.862 . . . . 10.0 110.946 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.27 -173.36 1.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.043 0.449 . . . . 10.0 111.451 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.29 150.88 19.76 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.116 0.484 . . . . 10.0 111.215 -179.665 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 71.22 20.14 77.87 Favored Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.248 -0.887 . . . . 10.0 113.601 179.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 26.8 m -98.76 -14.16 7.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.982 0.391 . . . . 10.0 111.875 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 113.26 23.31 5.23 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.921 -0.657 . . . . 10.0 113.05 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -63.04 -52.41 62.94 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.075 0.464 . . . . 10.0 110.983 -179.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.05 -40.77 62.61 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.587 -179.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.42 -49.97 72.99 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.877 -0.601 . . . . 10.0 111.997 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 2.9 tp -60.47 -49.39 77.75 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.827 0.346 . . . . 10.0 110.959 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 7.4 m -61.75 -45.82 92.26 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.86 -0.609 . . . . 10.0 112.068 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.43 -34.85 69.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.789 0.328 . . . . 10.0 111.078 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -65.91 -23.44 66.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.142 0.496 . . . . 10.0 111.062 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 36.8 tp -91.95 -39.67 11.56 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.828 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 51.0 mm -77.78 -64.31 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.046 -0.525 . . . . 10.0 112.2 -179.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -89.36 -10.54 46.25 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.398 -0.365 . . . . 10.0 111.71 -178.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 63.42 35.73 11.93 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 114.206 1.187 . . . . 10.0 114.206 178.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -142.1 160.0 41.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.725 -0.216 . . . . 10.0 110.76 178.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -104.34 126.65 51.62 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.227 0.537 . . . . 10.0 112.25 -178.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 3.3 m -90.85 125.19 43.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.511 -0.768 . . . . 10.0 109.725 178.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.15 -11.5 32.64 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.334 -0.393 . . . . 10.0 110.6 -179.646 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -93.5 138.42 31.81 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.171 -0.468 . . . . 10.0 110.243 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -75.71 120.72 21.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.489 -0.323 . . . . 10.0 111.224 -179.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -127.34 101.06 25.37 Favored Pre-proline 0 C--O 1.237 0.437 0 CA-C-O 120.9 0.381 . . . . 10.0 111.647 179.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -68.42 106.38 1.41 Allowed 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 122.788 2.326 . . . . 10.0 112.056 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 2.0 m -88.41 139.03 30.9 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.796 -0.638 . . . . 10.0 110.447 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 47.2 mm -93.12 -49.45 12.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 109.117 -0.697 . . . . 10.0 109.117 178.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -169.46 87.72 0.16 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.746 -0.661 . . . . 10.0 109.875 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -107.82 152.77 23.94 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.85 0.357 . . . . 10.0 110.357 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -126.41 136.13 52.29 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.218 -0.447 . . . . 10.0 111.246 -179.158 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -131.85 133.38 44.59 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.2 -0.455 . . . . 10.0 110.287 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -113.46 139.37 48.98 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.446 -0.343 . . . . 10.0 110.603 -179.675 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 65.8 tttp -157.8 126.41 5.6 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.102 -0.499 . . . . 10.0 111.117 179.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -93.66 126.48 38.85 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.069 -0.514 . . . . 10.0 109.772 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 2.7 m -139.19 161.36 28.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.748 0.308 . . . . 10.0 111.032 -179.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 36.3 t -98.03 103.97 15.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.228 -0.656 . . . . 10.0 109.228 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 60.0 mt -115.27 127.78 72.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.181 -0.463 . . . . 10.0 111.011 -179.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 68.61 8.3 6.62 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.827 -0.624 . . . . 10.0 111.842 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.59 -1.9 45.85 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.736 -0.745 . . . . 10.0 111.837 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -120.56 131.06 54.48 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.589 0.233 . . . . 10.0 110.583 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -74.59 131.0 40.59 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.049 -0.723 . . . . 10.0 109.049 179.441 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 50.0 m -136.0 150.04 49.07 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.04 0.448 . . . . 10.0 111.506 -179.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 53.4 tp -100.87 112.35 24.76 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.333 -0.988 . . . . 10.0 108.333 178.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 43.9 mt -96.23 127.29 42.1 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.384 0.612 . . . . 10.0 112.397 -178.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -101.21 97.36 7.89 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.142 -0.936 . . . . 10.0 108.477 178.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 5.7 mt -89.41 133.28 31.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.567 -178.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 29.1 tp -123.17 104.23 9.04 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.286 0.565 . . . . 10.0 111.447 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -89.13 98.51 11.8 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.755 -0.831 . . . . 10.0 108.755 179.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.71 166.5 11.62 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.517 0.562 . . . . 10.0 112.517 -178.376 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.18 154.16 38.85 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.697 -0.683 . . . . 10.0 112.2 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -135.29 33.58 2.42 Favored Glycine 0 N--CA 1.448 -0.545 0 N-CA-C 110.824 -0.91 . . . . 10.0 110.824 179.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -104.71 18.53 22.09 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.59 0.233 . . . . 10.0 111.344 -179.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 65.05 -158.98 0.29 Allowed 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.801 -0.636 . . . . 10.0 112.163 179.279 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 73.44 -56.08 0.66 Allowed 'General case' 0 N--CA 1.464 0.248 0 O-C-N 123.783 0.677 . . . . 10.0 112.396 179.671 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -64.79 93.0 0.1 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.777 0.658 . . . . 10.0 112.777 -178.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 5.4 m -94.74 -48.88 5.86 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.946 -0.57 . . . . 10.0 109.642 179.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.46 -38.01 86.39 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 116.211 -0.45 . . . . 10.0 111.065 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 25.4 ttt -64.16 -37.25 86.77 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.183 179.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.99 -38.66 83.25 Favored 'General case' 0 C--N 1.334 -0.097 0 CA-C-N 115.53 -0.759 . . . . 10.0 111.282 -179.549 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.38 -20.96 66.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.762 -0.654 . . . . 10.0 112.316 -179.358 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -79.25 -65.75 0.96 Allowed 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 120.812 -0.355 . . . . 10.0 111.64 -179.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 46.9 p90 -65.36 -29.75 70.5 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 113.752 1.019 . . . . 10.0 113.752 -178.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 35.1 mtt -71.48 -16.78 62.37 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-O 120.879 0.371 . . . . 10.0 111.228 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 41.4 ttm105 -85.62 -46.61 10.62 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.15 0.5 . . . . 10.0 110.302 179.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.31 -29.65 61.71 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.714 -0.676 . . . . 10.0 112.436 -179.024 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -61.41 138.74 47.21 Favored Glycine 0 C--N 1.329 0.172 0 C-N-CA 121.0 -0.619 . . . . 10.0 113.594 -178.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -98.67 -43.06 6.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.018 0.437 . . . . 10.0 110.101 179.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -123.11 132.02 8.43 Favored Glycine 0 N--CA 1.444 -0.818 0 N-CA-C 110.667 -0.973 . . . . 10.0 110.667 179.074 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -112.89 117.55 32.43 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.701 0.63 . . . . 10.0 112.701 -178.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 11.9 tp -88.32 105.16 17.39 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 108.941 -0.763 . . . . 10.0 108.941 179.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 3.8 m -81.8 96.17 7.52 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.236 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 25.3 t -98.24 127.8 50.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.234 0.54 . . . . 10.0 111.582 -178.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -141.18 149.56 41.61 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.396 -0.82 . . . . 10.0 109.305 178.127 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -89.42 132.64 34.9 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.906 -0.405 . . . . 10.0 109.906 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 2.5 pp -66.95 -17.26 22.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.882 0.372 . . . . 10.0 111.608 -179.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 25.1 p-10 -100.1 19.53 16.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.595 179.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -139.29 113.22 8.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.283 179.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.74 -34.94 67.36 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.165 0.432 . . . . 10.0 112.165 -179.047 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 29.3 tptp -60.38 -50.99 71.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 10.0 111.392 -179.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 2.9 m -60.13 -34.98 74.27 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 112.233 0.457 . . . . 10.0 112.233 -179.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -63.69 -51.11 66.52 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.764 0.316 . . . . 10.0 111.53 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -73.83 -18.86 60.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.458 -0.337 . . . . 10.0 111.731 -179.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -68.7 -24.14 64.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.744 0.307 . . . . 10.0 111.206 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 51.8 mm -59.41 -37.9 72.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.769 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 63.5 t60 -61.59 -45.96 91.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 10.0 110.396 179.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 62.2 m-70 -64.35 -37.12 86.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.766 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -69.45 -42.67 74.63 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.706 -0.679 . . . . 10.0 110.413 179.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 43.0 ttt-85 -60.74 -45.21 95.16 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 120.902 0.382 . . . . 10.0 110.43 179.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -62.66 -38.72 91.41 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.178 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -64.52 -50.62 66.64 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.565 -0.743 . . . . 10.0 110.453 179.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 76.8 mt -56.65 -44.18 80.61 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 CA-C-N 116.165 -0.47 . . . . 10.0 111.221 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 36.3 mtmt -59.41 -36.61 76.16 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.297 -0.41 . . . . 10.0 111.496 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 6.8 tmm_? -74.22 -44.21 54.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.989 -0.551 . . . . 10.0 110.999 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 52.2 t -64.22 -42.76 96.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.528 -0.305 . . . . 10.0 111.698 -179.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -89.5 -6.16 56.66 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.367 0.506 . . . . 10.0 112.367 -179.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 32.6 t0 53.75 51.1 15.58 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 121.316 0.579 . . . . 10.0 110.728 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 27.0 t -163.01 144.5 9.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.326 -0.852 . . . . 10.0 109.891 -179.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -89.85 -27.93 19.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.852 0.358 . . . . 10.0 110.105 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -84.09 92.76 7.97 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.837 -0.619 . . . . 10.0 110.478 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 62.1 t -127.19 127.06 24.34 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.488 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo -67.63 110.3 2.06 Favored 'Trans proline' 0 C--O 1.235 0.345 0 C-N-CA 122.891 2.394 . . . . 10.0 111.304 179.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 54.9 mtm -136.6 148.27 47.4 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.832 -0.622 . . . . 10.0 111.189 -179.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 88.3 t -121.16 127.76 75.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.084 -0.507 . . . . 10.0 109.871 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 13.5 tp -85.15 109.85 18.57 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.233 -0.654 . . . . 10.0 109.233 179.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 72.2 t -114.33 115.63 50.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.962 0.41 . . . . 10.0 112.041 -178.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -99.24 105.72 3.1 Favored Glycine 0 N--CA 1.446 -0.684 0 N-CA-C 109.058 -1.617 . . . . 10.0 109.058 177.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -92.21 162.88 14.13 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 112.288 0.477 . . . . 10.0 112.288 -178.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 90.9 mttt 71.26 25.41 3.56 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.102 -0.954 . . . . 10.0 112.518 179.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 18.7 m -63.32 -18.41 63.6 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 113.058 0.762 . . . . 10.0 113.058 -179.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -82.67 -5.93 59.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.773 0.321 . . . . 10.0 111.143 -179.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 45.8 mt -88.33 138.73 30.25 Favored Pre-proline 0 C--N 1.328 -0.36 0 N-CA-C 109.992 -0.373 . . . . 10.0 109.992 179.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -73.71 158.68 46.72 Favored 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 123.066 2.511 . . . . 10.0 112.438 -179.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 22.6 m 63.7 67.58 0.62 Allowed 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.707 -0.679 . . . . 10.0 112.305 178.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 17.6 ptp180 -84.86 137.63 33.03 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.688 -0.687 . . . . 10.0 110.536 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.5 -33.27 20.38 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.745 -0.465 . . . . 10.0 109.745 179.096 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 60.5 t -96.66 112.17 28.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.168 179.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.32 145.24 44.07 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.736 -0.666 . . . . 10.0 109.43 179.178 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 1.5 m -55.83 -37.3 68.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.234 0.54 . . . . 10.0 110.699 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 20.4 mtmt -58.61 -56.99 15.0 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.146 -0.934 . . . . 10.0 111.806 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -63.67 -26.84 68.85 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 111.924 0.342 . . . . 10.0 111.924 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -71.17 -49.7 41.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 10.0 109.913 179.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -68.87 -29.87 68.26 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.167 179.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -61.81 -38.38 87.92 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.278 178.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 34.5 tp -70.79 -38.41 73.37 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.811 -0.632 . . . . 10.0 110.45 179.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -69.99 -31.05 68.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.66 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? -57.8 -44.69 86.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.634 -0.712 . . . . 10.0 111.115 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.1 -20.49 63.19 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.097 -0.501 . . . . 10.0 111.756 -179.776 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 20.5 m-30 -88.08 -42.71 12.2 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.258 0.551 . . . . 10.0 110.903 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 105.66 -0.01 39.64 Favored Glycine 0 N--CA 1.448 -0.54 0 N-CA-C 111.169 -0.772 . . . . 10.0 111.169 -179.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 45.2 pt -99.79 158.83 31.4 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 109.991 -0.374 . . . . 10.0 109.991 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -88.12 151.9 6.92 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.671 2.248 . . . . 10.0 113.405 -179.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -112.65 134.84 53.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.652 -0.704 . . . . 10.0 109.377 178.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 13.6 mt -123.23 133.62 68.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.781 0.324 . . . . 10.0 111.619 -179.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -87.32 111.88 21.51 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.164 -1.05 . . . . 10.0 108.164 177.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -120.28 164.88 15.62 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.553 0.692 . . . . 10.0 112.211 -177.284 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 5.4 t -153.23 116.14 4.54 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 107.98 -1.119 . . . . 10.0 107.98 178.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.7 -29.23 61.12 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.62 -0.511 . . . . 10.0 109.62 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -62.43 -43.21 99.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.515 -0.766 . . . . 10.0 110.948 179.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 68.5 p -93.71 -19.87 20.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.945 0.402 . . . . 10.0 110.779 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 23.2 ttt-85 72.69 15.05 4.95 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.579 -0.737 . . . . 10.0 111.474 -179.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 150' ' ' GLN . . . . . 0.405 HE22 ' NE2' ' C' ' 150' ' ' GLN . 35.6 tt0 -81.93 123.73 29.11 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.312 -0.404 . . . . 10.0 111.135 -179.704 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 84.36 -2.19 88.1 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 121.1 -0.571 . . . . 10.0 113.216 179.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 55.3 t -58.53 -51.25 73.96 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 N-CA-C 111.948 0.351 . . . . 10.0 111.948 -179.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -63.34 -44.19 95.57 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 110.156 -0.313 . . . . 10.0 110.156 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -58.94 -42.36 89.57 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.041 -0.527 . . . . 10.0 112.18 -179.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -53.53 -52.04 60.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.016 0.436 . . . . 10.0 111.124 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -69.03 -37.48 78.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.807 -0.633 . . . . 10.0 111.103 179.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -61.74 -40.64 95.81 Favored 'General case' 0 N--CA 1.457 -0.104 0 CA-C-O 120.934 0.397 . . . . 10.0 110.361 179.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 22.1 m -60.99 -39.57 90.17 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.852 179.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 15.2 tp -58.52 -40.19 82.2 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.731 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 39.4 t -67.31 -38.83 81.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.474 -0.565 . . . . 10.0 109.474 178.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.44 -39.54 94.76 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.022 179.065 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -64.17 -41.42 97.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.857 -0.611 . . . . 10.0 110.692 179.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 79.9 mt -65.3 -43.24 95.12 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.122 0 N-CA-C 109.488 -0.56 . . . . 10.0 109.488 178.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 35.1 mtt180 -61.96 -39.01 90.68 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 116.129 -0.487 . . . . 10.0 109.881 178.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 22.1 mtmt . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 115.956 -0.565 . . . . 10.0 110.205 179.195 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 8.5 m . . . . . 0 CA--C 1.529 0.141 0 CA-C-O 120.83 0.347 . . . . 10.0 111.545 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.21 126.58 30.09 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.4 -0.364 . . . . 10.0 111.502 -179.215 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -97.87 135.0 40.24 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.784 -0.45 . . . . 10.0 109.784 179.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -125.26 114.08 18.47 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.425 -0.352 . . . . 10.0 110.921 -179.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 51.3 mttm -85.71 119.65 26.27 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.543 -0.54 . . . . 10.0 109.543 179.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 20.1 mt -124.58 133.54 53.25 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.011 0.434 . . . . 10.0 111.289 -178.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 58.7 t -113.31 129.25 69.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.048 -0.524 . . . . 10.0 110.212 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 3.0 t -92.35 109.73 21.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.595 -0.52 . . . . 10.0 109.595 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 15.9 m -106.49 150.18 9.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.481 -0.327 . . . . 10.0 111.446 -179.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 155.66 176.79 28.22 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 121.229 -0.51 . . . . 10.0 112.034 -179.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.88 -174.51 5.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.987 0.422 . . . . 10.0 111.363 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.67 144.14 26.04 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.847 0.356 . . . . 10.0 110.957 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.76 11.99 83.3 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 121.121 -0.562 . . . . 10.0 113.523 179.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 34.8 m -89.52 -21.49 6.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 117.407 0.603 . . . . 10.0 111.922 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 108.68 20.2 8.25 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.635 -0.793 . . . . 10.0 113.709 179.052 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 33.6 mtmt -56.96 -45.17 83.03 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 112.126 0.417 . . . . 10.0 112.126 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.28 -39.09 55.18 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.644 -0.253 . . . . 10.0 110.64 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.91 -48.59 77.87 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.407 -0.36 . . . . 10.0 110.92 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 84.2 mt -61.4 -46.86 88.38 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.335 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 6.6 m -66.88 -46.16 75.84 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.133 -0.485 . . . . 10.0 112.106 -179.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 84.7 mt -61.58 -32.9 54.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.181 0.515 . . . . 10.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -65.23 -27.28 68.56 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.547 -0.751 . . . . 10.0 111.268 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 16.6 tp -92.43 -34.26 14.2 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.973 0.416 . . . . 10.0 111.324 -179.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 50.8 mm -81.91 -59.3 2.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.207 -0.451 . . . . 10.0 112.114 -178.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -91.23 -16.35 27.77 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.694 0.283 . . . . 10.0 111.75 -178.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 70.16 30.36 3.5 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 114.149 1.166 . . . . 10.0 114.149 178.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -137.21 156.4 48.36 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 120.929 -0.309 . . . . 10.0 110.748 179.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -93.88 135.33 35.32 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.086 0.469 . . . . 10.0 110.721 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 5.8 m -100.43 132.84 45.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.143 -0.481 . . . . 10.0 110.979 179.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -108.52 -9.63 15.34 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.975 0.893 . . . . 10.0 109.472 179.009 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -91.45 143.45 26.59 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.013 -0.994 . . . . 10.0 109.985 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -75.34 115.53 15.09 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.607 -0.269 . . . . 10.0 110.693 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -110.49 108.56 58.34 Favored Pre-proline 0 C--O 1.238 0.48 0 CA-C-N 116.286 -0.415 . . . . 10.0 111.708 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -75.69 77.66 3.29 Favored 'Trans proline' 0 N--CA 1.459 -0.559 0 C-N-CA 122.727 2.285 . . . . 10.0 110.514 178.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.47 120.89 19.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.019 -0.537 . . . . 10.0 109.871 179.416 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 27.1 mm -95.38 -46.01 13.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.073 0.463 . . . . 10.0 110.203 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -164.83 91.57 0.56 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.776 -0.647 . . . . 10.0 109.271 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.42 131.55 54.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.471 -0.331 . . . . 10.0 111.499 -179.001 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 4.4 m -100.64 144.64 29.37 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.796 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -135.29 136.25 41.48 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.314 -0.403 . . . . 10.0 110.24 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -124.1 129.11 50.3 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.713 0.292 . . . . 10.0 110.648 179.19 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -143.2 146.83 34.03 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.51 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -104.03 120.94 42.13 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.504 -0.554 . . . . 10.0 109.504 179.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 31.2 m -127.65 150.37 33.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.137 0.494 . . . . 10.0 111.131 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 22.2 t -112.64 82.88 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.096 -0.705 . . . . 10.0 109.096 179.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 34.5 pt -107.98 139.25 30.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.589 -179.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 61.87 15.98 7.6 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.406 -0.816 . . . . 10.0 111.219 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 86.09 14.0 67.73 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.888 -0.672 . . . . 10.0 111.767 -179.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -118.11 134.93 54.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.778 0.323 . . . . 10.0 110.865 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -86.77 103.16 14.94 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.03 -1.1 . . . . 10.0 108.03 178.25 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -108.3 144.59 35.61 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 112.627 0.603 . . . . 10.0 112.627 -178.353 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 62.9 tp -104.21 113.98 27.91 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 108.315 -0.994 . . . . 10.0 108.315 178.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 33.1 mt -85.13 121.35 27.76 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 112.711 0.634 . . . . 10.0 112.711 -178.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -109.75 74.63 0.9 Allowed 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 107.447 -1.316 . . . . 10.0 107.447 178.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 2.5 mt -86.79 158.36 3.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.415 -0.811 . . . . 10.0 111.761 -177.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 6.6 tp -152.24 120.99 6.51 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.323 -0.398 . . . . 10.0 111.307 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -97.33 116.49 29.64 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 108.575 -0.898 . . . . 10.0 108.575 177.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -107.98 157.49 18.18 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.258 -0.428 . . . . 10.0 111.612 -178.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.96 121.03 14.17 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.814 -0.63 . . . . 10.0 112.623 -179.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -103.03 41.93 2.01 Favored Glycine 0 N--CA 1.448 -0.512 0 N-CA-C 110.382 -1.087 . . . . 10.0 110.382 178.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -94.14 13.13 24.15 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.651 -0.275 . . . . 10.0 111.713 -178.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 68.13 172.16 0.28 Allowed 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.062 -0.517 . . . . 10.0 111.845 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 67.42 39.65 2.87 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.316 0.579 . . . . 10.0 109.651 -179.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -131.02 35.55 3.94 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.151 -0.932 . . . . 10.0 110.269 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 1.9 m -62.71 -24.43 67.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.933 -0.576 . . . . 10.0 111.797 -179.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.15 -40.59 9.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.957 0.408 . . . . 10.0 110.96 179.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 21.2 ttt -67.5 -41.19 84.9 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.972 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 68' ' ' ARG . . . . . . . . . . . . . 6.8 ttp180 -66.91 -12.84 60.74 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.991 -0.549 . . . . 10.0 111.632 -179.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -81.49 -23.38 37.39 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.021 -0.536 . . . . 10.0 111.172 -179.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -74.61 -73.73 0.23 Allowed 'General case' 0 C--O 1.234 0.285 0 N-CA-C 112.768 0.655 . . . . 10.0 112.768 -178.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 71' ' ' TYR . . . . . . . . . . . . . 15.1 p90 -60.54 -11.32 6.74 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.426 0.899 . . . . 10.0 113.426 -178.176 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 26.2 ttm -71.84 -24.46 61.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.339 0.59 . . . . 10.0 110.345 179.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 69.0 mtt180 -80.8 -43.31 20.29 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.78 -0.646 . . . . 10.0 109.705 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -73.8 -41.67 62.03 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.542 -0.754 . . . . 10.0 112.065 -179.291 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.9 131.01 36.58 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 121.012 -0.613 . . . . 10.0 112.795 -179.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -96.07 -45.75 6.77 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.05 0.452 . . . . 10.0 110.518 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -108.99 131.94 10.83 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.95 -0.643 . . . . 10.0 111.775 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 78' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -113.96 122.0 45.62 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.8 0.333 . . . . 10.0 111.09 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 17.5 tp -91.83 106.98 18.88 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.873 -0.603 . . . . 10.0 110.465 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 2.7 m -84.96 85.15 7.51 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.857 -0.61 . . . . 10.0 110.819 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 94.9 t -97.54 131.87 43.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.562 -0.745 . . . . 10.0 110.099 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 34.4 p90 -139.89 158.49 44.0 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.826 -0.625 . . . . 10.0 110.185 178.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -90.89 126.93 36.19 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.556 -0.535 . . . . 10.0 109.556 179.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 84' ' ' ILE . . . . . . . . . . . . . 21.4 pt -67.2 -17.99 23.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.929 0.395 . . . . 10.0 111.694 -179.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 19.9 p-10 -95.41 -8.03 36.7 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.488 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -120.73 103.18 8.91 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.981 0.42 . . . . 10.0 110.039 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.06 -24.78 67.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.956 -0.566 . . . . 10.0 112.523 -178.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -58.07 -44.38 87.51 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 120.95 0.405 . . . . 10.0 110.155 179.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -31.17 71.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.95 -0.568 . . . . 10.0 111.291 179.637 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -69.05 -39.75 78.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.037 -0.528 . . . . 10.0 111.096 -179.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 63.9 mt-10 -80.5 -27.8 37.66 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.902 0.382 . . . . 10.0 110.777 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.74 -21.45 66.76 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.97 -0.559 . . . . 10.0 111.164 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 42.0 mm -57.16 -43.3 81.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 10.0 111.019 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -60.19 -36.3 77.31 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.123 -0.489 . . . . 10.0 110.853 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 50.6 m-70 -62.82 -42.01 99.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.369 179.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -69.02 -46.72 67.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.881 -0.6 . . . . 10.0 110.117 179.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -52.91 -51.36 61.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.692 -179.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -67.41 -37.23 82.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.312 -0.404 . . . . 10.0 112.03 -179.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -66.27 -47.0 75.12 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.606 -0.27 . . . . 10.0 110.797 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 87.3 mt -60.12 -39.78 81.48 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 CA-C-O 121.092 0.473 . . . . 10.0 110.347 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 3.0 mtmt -67.56 -21.36 65.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.685 -0.689 . . . . 10.0 111.676 179.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 15.6 ttm180 -88.03 -47.17 8.72 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.35 0.595 . . . . 10.0 111.439 -179.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 60.8 t -64.8 -51.05 71.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.791 -0.64 . . . . 10.0 111.522 -179.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -79.52 -16.52 55.84 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 116.407 -0.36 . . . . 10.0 111.455 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 20.6 t0 58.12 32.83 22.51 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 121.448 0.642 . . . . 10.0 112.371 178.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 4.4 m -122.79 150.98 42.08 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.883 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -88.48 -48.8 7.34 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.632 -0.507 . . . . 10.0 109.632 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -76.48 98.61 4.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.401 -0.818 . . . . 10.0 110.298 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 76.3 t -119.41 110.03 37.92 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 115.563 -0.744 . . . . 10.0 109.905 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -65.37 112.99 2.28 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.817 2.345 . . . . 10.0 111.153 179.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 111' ' ' MET . . . . . . . . . . . . . 56.3 mtm -137.94 163.8 30.6 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.504 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 75.5 t -139.12 127.43 27.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 108.872 -0.788 . . . . 10.0 108.872 179.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 14.0 tp -88.31 110.87 21.11 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.356 -0.609 . . . . 10.0 109.356 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 60.9 t -116.15 127.92 73.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 112.44 0.533 . . . . 10.0 112.44 -178.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -101.53 118.1 6.05 Favored Glycine 0 N--CA 1.444 -0.808 0 N-CA-C 109.284 -1.526 . . . . 10.0 109.284 178.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -100.44 158.38 15.95 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.927 0.364 . . . . 10.0 111.938 -178.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 79.2 mttt 64.83 41.54 4.92 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-N 115.547 -0.751 . . . . 10.0 112.09 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 118' ' ' CYS . . . . . . . . . . . . . 73.8 m -74.82 2.48 10.07 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.2 -0.454 . . . . 10.0 111.813 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -92.73 -9.35 40.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.007 0.432 . . . . 10.0 110.489 179.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 64.1 mt -74.81 132.82 77.01 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.894 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -72.38 139.25 31.47 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.539 2.16 . . . . 10.0 111.909 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 13.2 m 70.31 76.09 0.2 Allowed 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 115.582 -0.735 . . . . 10.0 111.636 -179.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 9.5 ptp180 -81.03 136.63 36.0 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.667 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -76.08 -48.78 19.5 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.881 0.372 . . . . 10.0 110.902 179.449 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 99.1 t -85.16 121.01 36.5 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 CA-C-N 116.299 -0.41 . . . . 10.0 110.772 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.5 137.58 34.58 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.949 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.24 -25.03 67.59 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.167 0.508 . . . . 10.0 110.258 179.19 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -51.88 -49.89 62.07 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 115.122 -0.944 . . . . 10.0 111.932 179.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -96.52 -16.72 20.95 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.972 0.36 . . . . 10.0 111.972 -179.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.85 -42.82 94.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.843 0.354 . . . . 10.0 110.663 179.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -81.81 -22.15 37.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.295 -0.411 . . . . 10.0 110.673 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -63.81 -40.07 95.76 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.921 -0.582 . . . . 10.0 110.04 178.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 13.4 tp -66.02 -38.25 87.97 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.378 -0.828 . . . . 10.0 109.711 179.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -68.85 -27.91 66.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.636 -0.711 . . . . 10.0 111.077 179.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -57.19 -47.26 81.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.998 -0.547 . . . . 10.0 112.069 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.96 -21.15 55.2 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.898 0.38 . . . . 10.0 112.009 -179.128 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 15.3 m-30 -83.2 -33.62 26.11 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.736 0.303 . . . . 10.0 110.981 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 91.18 16.58 53.36 Favored Glycine 0 N--CA 1.451 -0.332 0 N-CA-C 110.975 -0.85 . . . . 10.0 110.975 -179.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 49.9 pt -106.12 154.49 39.57 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 115.276 -0.462 . . . . 10.0 110.197 -179.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -88.72 150.74 6.13 Favored 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 122.353 2.035 . . . . 10.0 112.805 179.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -113.78 128.7 56.52 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.205 -0.665 . . . . 10.0 109.205 178.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 54.9 mt -123.07 126.16 73.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.046 0.451 . . . . 10.0 111.969 -179.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -83.63 128.75 34.76 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.718 -1.215 . . . . 10.0 107.718 177.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 5.7 p -137.36 160.26 39.59 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 114.088 1.144 . . . . 10.0 114.088 -178.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 26.0 t -153.71 108.91 3.17 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.398 -1.274 . . . . 10.0 107.626 177.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -69.35 -24.79 63.95 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.334 -0.394 . . . . 10.0 111.524 -179.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -63.97 -42.43 97.26 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.957 179.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 7.9 p -93.76 -14.1 26.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.357 -0.383 . . . . 10.0 111.392 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 59.75 48.22 9.46 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.94 -179.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 150' ' ' GLN . . . . . 0.405 ' NE2' HE22 ' B' ' 150' ' ' GLN . 56.2 tt0 -118.43 112.48 20.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.849 -0.614 . . . . 10.0 112.005 -179.376 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 84.84 -11.86 58.67 Favored Glycine 0 N--CA 1.452 -0.248 0 CA-C-N 115.847 -0.615 . . . . 10.0 113.58 178.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 38.6 t -63.4 -42.44 96.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.742 0.306 . . . . 10.0 111.744 -178.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.26 -54.98 37.19 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.861 -0.609 . . . . 10.0 111.761 -179.095 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -65.44 -24.02 67.08 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 112.661 0.615 . . . . 10.0 112.661 -178.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -59.89 -44.17 94.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.018 0.437 . . . . 10.0 110.512 179.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -68.3 -38.57 81.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.653 -0.703 . . . . 10.0 110.461 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 15.2 m-30 -66.37 -38.29 87.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.882 -0.599 . . . . 10.0 111.113 -179.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 37.3 m -63.68 -35.21 79.8 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.198 -0.455 . . . . 10.0 110.125 179.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 33.5 tp -63.27 -37.89 89.03 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 116.17 -0.468 . . . . 10.0 109.754 178.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 44.0 t -70.67 -40.88 77.53 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 CA-C-N 115.753 -0.658 . . . . 10.0 110.17 179.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 28.5 mtm-85 -62.37 -36.83 83.49 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.228 -0.442 . . . . 10.0 111.867 -179.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -61.0 -30.0 70.03 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.611 -0.268 . . . . 10.0 110.905 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 46.0 mm -68.76 -43.66 82.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.064 178.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 33.2 ttm180 -68.12 -39.2 82.8 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 109.125 -0.695 . . . . 10.0 109.125 179.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.76 -40.21 91.64 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.336 -0.847 . . . . 10.0 109.425 178.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 15.9 t-80 -65.47 -44.26 87.72 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.606 -0.725 . . . . 10.0 110.293 179.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 97.3 mttt . . . . . 0 C--O 1.235 0.323 0 CA-C-N 116.33 -0.395 . . . . 10.0 110.846 179.894 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 18.2 tttm . . . . . 0 N--CA 1.454 -0.235 0 CA-C-O 120.684 0.278 . . . . 10.0 111.323 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 96.4 mt -65.66 -29.0 69.51 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.903 0.334 . . . . 10.0 111.903 -179.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 45.8 mt -82.2 -50.9 8.48 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.51 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -63.32 -43.42 97.83 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.579 -0.737 . . . . 10.0 112.495 -179.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -69.95 -23.73 63.24 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.845 0.355 . . . . 10.0 111.409 -179.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 27.6 t90 -77.82 -26.3 49.46 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.212 0.53 . . . . 10.0 109.654 179.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -61.48 -28.8 69.55 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.427 -0.806 . . . . 10.0 110.9 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -74.2 -25.76 59.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.825 -0.625 . . . . 10.0 109.654 178.613 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 5.0 t -77.18 -46.42 28.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.153 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -59.39 -44.19 92.82 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.749 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 2.3 p -62.05 -42.59 99.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.801 0.334 . . . . 10.0 110.366 179.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 40.2 m -63.75 -39.45 94.3 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 109.693 -0.484 . . . . 10.0 109.693 178.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -62.12 -42.48 99.28 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 116.111 -0.495 . . . . 10.0 109.791 178.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 14.1 m -63.13 -44.89 94.3 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.956 -0.566 . . . . 10.0 110.128 179.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 45.1 mmtt -61.89 -43.27 99.18 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 115.946 -0.57 . . . . 10.0 109.849 178.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 21.0 mt -59.74 -43.23 94.34 Favored 'General case' 0 C--O 1.221 -0.408 0 CA-C-N 115.696 -0.684 . . . . 10.0 110.135 178.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 -65.44 -31.79 73.06 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.107 0.479 . . . . 10.0 110.918 179.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -69.37 -27.95 65.77 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 109.282 -0.636 . . . . 10.0 109.282 178.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -87.95 -34.98 17.91 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.448 -0.796 . . . . 10.0 109.756 179.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 30.6 mt -55.97 -36.49 67.9 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 115.749 -0.659 . . . . 10.0 111.747 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -54.42 -68.88 1.44 Allowed Glycine 0 C--N 1.335 0.504 0 N-CA-C 110.702 -0.959 . . . . 10.0 110.702 178.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -55.68 -39.92 88.3 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.514 2.143 . . . . 10.0 111.403 177.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 11.4 t -56.27 -54.02 32.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-N 116.564 -0.289 . . . . 10.0 111.669 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 11.7 p -64.77 -36.5 84.5 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.892 -0.323 . . . . 10.0 110.499 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -63.5 -51.0 67.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.639 179.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -66.86 -36.55 82.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.078 0.466 . . . . 10.0 110.231 179.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -66.66 -50.61 62.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.504 179.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -66.31 -34.77 78.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.056 -0.52 . . . . 10.0 111.079 179.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -61.43 -43.28 99.14 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.626 -0.509 . . . . 10.0 109.626 179.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -72.49 -35.58 68.21 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 115.731 -0.668 . . . . 10.0 110.106 178.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 41.5 mt -60.8 -38.59 85.88 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.378 -0.601 . . . . 10.0 109.378 178.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -65.14 -31.21 72.29 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.732 -0.667 . . . . 10.0 110.734 178.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 74.4 mttt -72.29 -43.58 64.02 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.343 -0.614 . . . . 10.0 109.343 179.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -63.95 -44.65 92.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.164 179.053 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 6.4 p -67.8 -40.18 83.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.709 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -59.96 -41.2 91.43 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 109.893 -0.41 . . . . 10.0 109.893 179.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -62.14 -45.18 96.59 Favored Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 110.186 -1.165 . . . . 10.0 110.186 177.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 94.0 mt -65.95 -31.02 71.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.906 0.384 . . . . 10.0 110.491 179.137 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 64.2 mtt180 -66.11 -38.93 89.42 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 109.601 -0.518 . . . . 10.0 109.601 178.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -74.81 -36.06 62.47 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.857 -0.794 . . . . 10.0 108.857 178.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -65.04 -27.17 68.61 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.474 -0.785 . . . . 10.0 110.13 178.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 41.0 ttm -55.41 -34.2 64.18 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.362 179.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.99 -2.81 10.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.801 -0.636 . . . . 10.0 111.051 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 58.0 mttm -130.55 -61.68 0.95 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.408 -0.36 . . . . 10.0 110.511 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 246' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -54.75 -34.36 62.46 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.948 -178.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . 96.3 mt -107.48 -44.04 4.39 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.454 -0.339 . . . . 10.0 111.837 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -65.4 -42.04 93.0 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.651 0.612 . . . . 10.0 112.651 -179.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -67.89 -36.86 80.97 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.793 -0.363 . . . . 10.0 110.229 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 250' ' ' VAL . . . . . . . . . . . . . 1.6 p -69.68 -20.84 23.98 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.388 0 CA-C-O 121.045 0.45 . . . . 10.0 110.439 179.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 23.0 mmtp -79.99 -42.5 23.76 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.077 -0.712 . . . . 10.0 109.077 178.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -73.11 -40.62 64.81 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.721 -0.672 . . . . 10.0 110.731 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -77.61 -19.67 55.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.077 -0.511 . . . . 10.0 111.675 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 254' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.25 -26.68 39.98 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.152 0 N-CA-C 109.989 -0.375 . . . . 10.0 109.989 179.466 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -63.3 -66.25 1.64 Allowed Pre-proline 0 CA--C 1.536 0.413 0 CA-C-N 115.855 -0.612 . . . . 10.0 110.823 179.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -61.72 -32.53 86.57 Favored 'Trans proline' 0 C--N 1.357 1.014 0 C-N-CA 121.792 1.661 . . . . 10.0 111.849 179.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 5.3 m-30 -64.89 -53.63 43.47 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.451 -0.34 . . . . 10.0 110.649 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 64.3 mt -71.61 -36.3 70.75 Favored 'General case' 0 C--O 1.222 -0.393 0 CA-C-N 116.323 -0.399 . . . . 10.0 110.769 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -62.67 -42.23 99.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.686 0.279 . . . . 10.0 111.231 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -64.99 -44.74 88.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.037 0.446 . . . . 10.0 109.953 179.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -67.88 -42.4 81.29 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.655 -0.702 . . . . 10.0 110.794 179.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -62.56 -44.94 95.09 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.448 -0.342 . . . . 10.0 110.543 179.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -62.87 -44.41 96.18 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.742 -0.466 . . . . 10.0 109.742 179.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 264' ' ' LYS . . . . . . . . . . . . . 35.9 mttt -64.23 -38.47 91.16 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.792 -0.64 . . . . 10.0 109.974 178.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -66.15 -37.27 85.27 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.801 -0.636 . . . . 10.0 110.172 178.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -61.41 -44.97 96.22 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.857 -0.794 . . . . 10.0 108.857 178.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -64.93 -44.66 88.78 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.706 -0.679 . . . . 10.0 109.45 178.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -58.88 -51.31 70.56 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.745 -0.661 . . . . 10.0 110.966 179.293 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 28.8 mmm -62.42 -43.36 98.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.888 -0.597 . . . . 10.0 111.354 -179.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -63.64 -45.51 89.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.397 -0.365 . . . . 10.0 110.374 178.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 52.1 mt -61.87 -37.36 84.26 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-O 121.045 0.45 . . . . 10.0 110.163 178.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -64.93 -38.26 90.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 10.0 109.956 178.793 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 78.7 mtt180 -70.7 -41.98 71.25 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.276 0.56 . . . . 10.0 110.07 179.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -64.63 -19.59 65.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.167 -0.924 . . . . 10.0 110.079 179.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 275' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -98.35 -46.58 5.74 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.993 -0.548 . . . . 10.0 110.552 179.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 3.9 p -54.93 -31.51 24.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 112.768 0.655 . . . . 10.0 112.768 -178.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -66.06 -63.88 2.84 Favored Pre-proline 0 CA--C 1.536 0.417 0 N-CA-C 111.641 0.237 . . . . 10.0 111.641 179.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -64.18 -36.13 48.64 Favored 'Trans proline' 0 C--N 1.356 0.931 0 C-N-CA 121.849 1.699 . . . . 10.0 112.435 178.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 19.2 mt -63.18 -36.17 82.74 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-O 120.749 0.309 . . . . 10.0 110.202 179.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -64.81 -34.96 79.59 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 116.181 -0.463 . . . . 10.0 109.83 179.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -62.25 -47.14 85.68 Favored 'General case' 0 C--N 1.332 -0.168 0 O-C-N 123.279 0.362 . . . . 10.0 110.184 179.312 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -62.9 -39.9 95.91 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.7 -0.682 . . . . 10.0 110.19 179.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 84.6 mt -70.45 -38.86 74.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.922 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -67.92 -55.48 12.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.343 -0.389 . . . . 10.0 110.549 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -62.65 -38.21 89.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.923 -0.581 . . . . 10.0 110.92 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -66.18 -45.99 82.87 Favored Glycine 0 N--CA 1.444 -0.788 0 N-CA-C 111.093 -0.803 . . . . 10.0 111.093 178.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -61.43 -38.57 87.65 Favored 'General case' 0 CA--C 1.517 -0.318 0 N-CA-C 110.354 -0.239 . . . . 10.0 110.354 179.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 65.5 mtt180 -55.78 -50.03 71.56 Favored 'General case' 0 CA--C 1.52 -0.18 0 O-C-N 123.575 0.547 . . . . 10.0 110.411 179.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 4.2 tm0? -66.38 -45.53 79.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.965 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -60.46 -44.65 95.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.345 -0.389 . . . . 10.0 111.062 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 68.1 mt -65.15 -39.06 92.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 10.0 109.873 178.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -64.52 -44.45 90.86 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 115.893 -0.594 . . . . 10.0 109.767 178.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.73 -42.66 84.31 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 121.41 0.624 . . . . 10.0 109.619 178.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 95.6 mt -66.28 -43.92 85.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.53 -0.759 . . . . 10.0 110.123 178.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -63.13 -34.6 77.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.207 -0.451 . . . . 10.0 110.915 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -65.07 -11.53 40.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.934 -0.576 . . . . 10.0 110.924 179.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -114.64 -38.55 3.97 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.321 178.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 61.4 mt -59.2 -28.59 66.79 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.72 0.637 . . . . 10.0 112.72 -179.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 299' ' ' SER . . . . . . . . . . . . . 20.1 m -84.21 -63.02 0.25 Allowed Pre-proline 0 CA--C 1.539 0.539 0 N-CA-C 112.853 0.686 . . . . 10.0 112.853 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 300' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -64.13 -50.02 3.25 Favored 'Trans proline' 0 C--N 1.355 0.883 0 C-N-CA 121.468 1.445 . . . . 10.0 111.834 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 95.7 mt -72.77 -25.51 61.2 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.95 -0.389 . . . . 10.0 109.95 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -67.53 -46.75 66.94 Favored Glycine 0 N--CA 1.448 -0.546 0 N-CA-C 110.135 -1.186 . . . . 10.0 110.135 178.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -68.63 -34.19 75.31 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.633 -0.506 . . . . 10.0 109.633 178.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -65.66 -36.0 82.41 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.831 -0.803 . . . . 10.0 108.831 178.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 15.3 tpt -63.55 -41.09 98.45 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 108.803 -0.814 . . . . 10.0 108.803 178.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 72.4 mtt180 -68.53 -40.03 80.9 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.416 -0.811 . . . . 10.0 109.329 179.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -59.26 -45.18 91.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.419 -0.809 . . . . 10.0 109.633 178.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 -72.31 -33.14 67.15 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.495 -0.775 . . . . 10.0 110.354 178.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -65.96 -32.65 74.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.063 -0.517 . . . . 10.0 109.721 178.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 310' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -58.75 -54.99 40.87 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 108.68 -0.859 . . . . 10.0 108.68 177.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -63.58 -38.39 90.93 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 115.762 -0.654 . . . . 10.0 109.997 179.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.55 -54.7 29.26 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 115.827 -0.624 . . . . 10.0 110.079 178.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 47.6 t -76.34 -36.93 30.45 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 CA-C-N 115.775 -0.648 . . . . 10.0 111.753 -179.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.23 -46.5 90.13 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.842 0.353 . . . . 10.0 111.014 -179.661 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -65.35 -32.01 73.43 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.546 -0.539 . . . . 10.0 109.546 178.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 12.0 mt -67.69 -49.01 64.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.589 -0.732 . . . . 10.0 109.31 178.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 35.2 ttm105 -60.58 -40.28 91.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.063 179.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 86.4 m -61.1 -30.38 70.32 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.489 -0.778 . . . . 10.0 110.729 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 27.5 m80 -91.25 -36.12 14.08 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.362 -0.381 . . . . 10.0 110.42 179.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 35.4 mt -63.58 -37.14 86.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.847 -0.615 . . . . 10.0 112.506 -179.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -53.52 -60.07 7.95 Favored Pre-proline 0 CA--C 1.536 0.435 0 N-CA-C 111.829 0.307 . . . . 10.0 111.829 179.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -67.54 -32.88 30.38 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 121.631 1.554 . . . . 10.0 111.179 178.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 4.7 m-30 -61.29 -46.48 90.14 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-N 116.569 -0.287 . . . . 10.0 110.874 179.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 12.8 p -71.74 -34.17 69.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.065 0.459 . . . . 10.0 109.924 179.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -60.5 -51.68 68.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.769 -0.65 . . . . 10.0 109.384 178.436 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -69.44 -27.96 65.7 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.892 -0.595 . . . . 10.0 109.816 178.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.22 -38.37 90.18 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.341 -0.614 . . . . 10.0 109.341 178.541 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -65.18 -35.77 82.11 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.369 -0.604 . . . . 10.0 109.369 178.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -67.58 -42.36 82.65 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 108.249 -1.019 . . . . 10.0 108.249 178.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 22.3 mtt-85 -63.1 -46.37 87.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.311 -0.858 . . . . 10.0 110.071 179.127 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 89.3 mt -56.72 -43.31 80.47 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.646 -0.501 . . . . 10.0 109.646 179.038 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -65.24 -46.46 80.48 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.644 -0.707 . . . . 10.0 110.251 179.003 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -59.83 -42.71 94.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.953 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 8.7 mmt180 -67.75 -48.48 66.29 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.038 179.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 56.1 mt -63.45 -39.3 94.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.86 -0.609 . . . . 10.0 112.275 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -60.15 -49.51 77.35 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 120.907 0.384 . . . . 10.0 110.266 179.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -65.48 -45.56 83.19 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.806 -0.634 . . . . 10.0 110.238 179.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 23.7 mt -64.23 -23.5 67.33 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.2 -0.454 . . . . 10.0 112.104 179.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -85.71 -47.95 9.3 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 122.058 -0.401 . . . . 10.0 110.7 179.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.01 -41.61 97.41 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.044 0.449 . . . . 10.0 109.875 179.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -75.95 -35.72 59.59 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.823 -0.806 . . . . 10.0 108.823 178.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -61.45 -44.38 98.09 Favored Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 115.648 -0.706 . . . . 10.0 111.544 179.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -61.75 -36.57 92.92 Favored Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 110.482 -1.047 . . . . 10.0 110.482 178.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -66.59 -43.81 83.87 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 109.322 -0.621 . . . . 10.0 109.322 178.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 16.5 mtm180 -62.83 -44.07 97.12 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.27 179.1 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 56.1 mt -60.74 -43.37 98.02 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.791 179.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -66.87 -36.68 82.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.196 0.522 . . . . 10.0 109.863 178.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -66.38 -52.78 43.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.67 -0.695 . . . . 10.0 110.012 178.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -63.69 -29.54 70.76 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.035 -0.53 . . . . 10.0 111.012 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.88 -44.3 85.72 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.39 -0.967 . . . . 10.0 108.39 178.102 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -67.78 -43.63 79.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.394 -0.821 . . . . 10.0 109.847 179.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 28.1 mttm -59.49 -42.23 91.67 Favored 'General case' 0 C--O 1.225 -0.201 0 CA-C-N 115.813 -0.631 . . . . 10.0 110.026 178.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -60.01 -41.12 91.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.857 -0.61 . . . . 10.0 110.016 178.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 7.8 m -63.39 -41.97 98.79 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.187 -0.46 . . . . 10.0 109.941 178.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -68.65 -33.17 73.53 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.546 179.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 10.3 m-70 -72.43 -32.04 65.99 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 109.148 -0.686 . . . . 10.0 109.148 178.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 33.2 mt -72.08 -38.49 69.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.017 -0.538 . . . . 10.0 111.211 179.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.19 -47.04 78.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.952 0.406 . . . . 10.0 110.079 179.162 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 7.5 p -69.47 -29.27 66.91 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.945 -0.571 . . . . 10.0 109.693 179.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 51.6 tp -68.54 -32.98 73.31 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 108.788 -0.819 . . . . 10.0 108.788 178.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 50.9 m -65.72 -32.0 73.3 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.783 -0.644 . . . . 10.0 109.782 179.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -68.22 -19.56 64.76 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.694 0.759 . . . . 10.0 109.513 178.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 363' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -99.32 -32.28 11.26 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.487 -0.779 . . . . 10.0 110.018 178.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -75.44 -29.07 59.58 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.851 -0.613 . . . . 10.0 112.057 -179.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 66.9 mttt -106.67 -73.44 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.436 0 N-CA-C 112.521 0.563 . . . . 10.0 112.521 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -58.31 -53.27 4.31 Favored 'Trans proline' 0 C--N 1.36 1.177 0 C-N-CA 122.22 1.947 . . . . 10.0 113.02 -179.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 367' ' ' ALA . . . . . . . . . . . . . . . -63.3 -50.21 70.96 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.242 0.46 . . . . 10.0 112.242 -179.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 7.8 mt -61.0 -40.79 94.86 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.706 0.261 . . . . 10.0 111.706 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -66.81 -41.83 86.91 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.858 -0.423 . . . . 10.0 109.858 179.114 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -60.55 -45.79 92.57 Favored 'General case' 0 C--O 1.232 0.143 0 N-CA-C 109.197 -0.668 . . . . 10.0 109.197 178.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 91.7 mt -63.1 -40.91 99.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.563 -0.744 . . . . 10.0 109.955 178.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 86.0 mtt180 -61.63 -47.17 86.61 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.48 178.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -64.75 -33.73 76.65 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.68 -0.691 . . . . 10.0 110.36 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -73.65 -34.2 57.06 Favored Glycine 0 N--CA 1.447 -0.581 0 N-CA-C 111.022 -0.831 . . . . 10.0 111.022 178.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 61.8 mt -70.55 -28.8 65.2 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 115.791 -0.204 . . . . 10.0 111.328 179.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 77.8 mt -49.24 -62.56 2.31 Favored Pre-proline 0 CA--C 1.534 0.356 0 N-CA-C 112.352 0.501 . . . . 10.0 112.352 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -71.38 -25.91 21.08 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 121.575 1.516 . . . . 10.0 111.313 179.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 4.3 t -63.04 -44.36 99.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 109.618 -0.512 . . . . 10.0 109.618 179.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 67.8 mt -66.54 -32.59 74.03 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.381 -0.6 . . . . 10.0 109.381 178.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -63.59 -48.95 75.31 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.969 -0.56 . . . . 10.0 109.515 178.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.31 -32.62 73.39 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 110.033 -0.358 . . . . 10.0 110.033 178.64 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -66.75 -42.97 85.32 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-N 116.186 -0.461 . . . . 10.0 109.999 178.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -61.32 -47.82 84.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.14 179.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 56.1 t -59.06 -43.54 89.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.764 -0.653 . . . . 10.0 111.235 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 4.8 p -73.18 -40.93 64.41 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.164 0.431 . . . . 10.0 112.164 -179.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -64.54 -45.84 85.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.607 -0.27 . . . . 10.0 111.169 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 95.1 mt -60.71 -51.61 68.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.3 -0.409 . . . . 10.0 111.388 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 5.6 p -60.38 -40.67 91.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.299 -0.41 . . . . 10.0 111.098 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -61.07 -44.41 97.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.817 0.341 . . . . 10.0 110.532 179.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 74.0 mt -59.65 -41.15 89.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.481 . . . . 10.0 109.987 179.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -67.14 -41.16 86.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.103 -0.498 . . . . 10.0 109.884 179.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -57.67 -50.29 73.67 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 115.955 -0.566 . . . . 10.0 111.199 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -61.44 -44.28 97.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.747 -0.661 . . . . 10.0 110.759 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 50.7 m -65.41 -38.32 89.57 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.111 -0.495 . . . . 10.0 112.043 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 46.2 mtmt -66.79 -35.23 79.59 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.731 0.641 . . . . 10.0 112.731 -179.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -97.09 -44.58 6.91 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 113.934 1.087 . . . . 10.0 113.934 -177.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 83.1 mt -76.51 -23.73 53.72 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.667 0.618 . . . . 10.0 112.667 -178.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 45.3 t30 . . . . . 0 C--N 1.324 -0.536 0 CA-C-O 120.885 0.374 . . . . 10.0 111.291 -179.125 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 CA--C 1.522 -0.116 0 CA-C-O 121.202 0.525 . . . . 10.0 110.752 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.85 30.94 5.87 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.76 -0.655 . . . . 10.0 109.961 179.532 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 4.3 mt -58.69 -49.07 78.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.247 -0.888 . . . . 10.0 110.283 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 71.0 mt -64.05 -33.75 76.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.376 -0.829 . . . . 10.0 110.943 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.87 -51.25 63.03 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.94 -0.573 . . . . 10.0 109.611 179.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -63.9 -40.74 97.22 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-O 120.979 0.419 . . . . 10.0 110.318 179.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 1.6 m95 -59.73 -39.13 83.68 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.099 178.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -60.98 -46.69 89.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.769 -0.65 . . . . 10.0 110.401 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 1.5 m -60.73 -44.83 96.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.745 -0.661 . . . . 10.0 110.194 179.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 62.9 t -64.05 -41.81 93.66 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.478 179.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 33.9 m -61.78 -38.26 87.38 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 109.656 -0.498 . . . . 10.0 109.656 178.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 35.4 m -64.64 -40.53 95.61 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 109.286 -0.635 . . . . 10.0 109.286 178.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 11.0 m -63.12 -43.69 97.7 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 109.693 -0.484 . . . . 10.0 109.693 178.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -60.48 -38.8 85.43 Favored 'General case' 0 C--O 1.232 0.155 0 N-CA-C 109.595 -0.521 . . . . 10.0 109.595 178.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 36.5 m -63.69 -46.11 87.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.669 -0.696 . . . . 10.0 109.643 178.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 37.2 mmtt -60.16 -35.02 74.41 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.378 179.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 75.0 mt -66.92 -40.7 87.71 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.033 178.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 61.3 mtt180 -66.71 -36.17 81.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.134 -0.484 . . . . 10.0 110.633 179.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -66.17 -18.66 65.49 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 115.786 -0.643 . . . . 10.0 110.185 178.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -94.95 -50.39 5.13 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 115.716 -0.675 . . . . 10.0 109.481 178.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 78.8 mt -46.65 -43.82 17.89 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.523 -0.762 . . . . 10.0 112.305 -179.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -55.39 -72.04 0.63 Allowed Glycine 0 CA--C 1.519 0.302 0 C-N-CA 121.203 -0.522 . . . . 10.0 112.273 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -57.58 -39.07 91.22 Favored 'Trans proline' 0 CA--C 1.533 0.455 0 C-N-CA 122.783 2.322 . . . . 10.0 112.294 178.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 8.7 t -57.55 -50.44 77.21 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.32 0 N-CA-C 112.177 0.436 . . . . 10.0 112.177 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 8.1 p -63.74 -35.36 80.31 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.796 -0.361 . . . . 10.0 111.382 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -60.77 -54.04 50.0 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.88 -0.415 . . . . 10.0 109.88 179.114 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -73.24 -28.78 62.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.046 -0.525 . . . . 10.0 111.586 -179.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -66.66 -43.91 83.28 Favored 'General case' 0 CA--C 1.519 -0.228 0 N-CA-C 109.375 -0.602 . . . . 10.0 109.375 178.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 23.2 m0 -65.4 -38.67 90.67 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 108.899 -0.778 . . . . 10.0 108.899 177.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -65.61 -35.38 80.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.453 -0.794 . . . . 10.0 109.597 178.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 24.0 t30 -70.92 -41.91 70.59 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 108.647 -0.872 . . . . 10.0 108.647 178.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 61.6 mt -59.17 -35.69 74.0 Favored 'General case' 0 C--O 1.218 -0.569 0 CA-C-N 115.073 -0.967 . . . . 10.0 110.593 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -62.89 -38.49 91.11 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.325 0.583 . . . . 10.0 109.978 178.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 49.2 mttp -68.26 -34.57 76.44 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.718 -0.674 . . . . 10.0 109.761 179.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -78.91 -44.36 22.83 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.762 -0.653 . . . . 10.0 111.637 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 20.5 p -62.83 -57.2 11.7 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 121.187 -0.205 . . . . 10.0 110.487 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -67.01 -37.23 83.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.32 -0.4 . . . . 10.0 111.242 179.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -61.96 -51.71 55.2 Favored Glycine 0 N--CA 1.451 -0.345 0 N-CA-C 111.101 -0.8 . . . . 10.0 111.101 179.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 92.8 mt -64.87 -24.76 67.63 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 110.143 -0.317 . . . . 10.0 110.143 178.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 68.3 mtt180 -72.4 -28.88 63.26 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 110.374 -0.232 . . . . 10.0 110.374 178.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -68.54 -29.77 68.41 Favored 'General case' 0 CA--C 1.519 -0.224 0 N-CA-C 108.399 -0.963 . . . . 10.0 108.399 178.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -83.01 -46.98 12.21 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 114.563 -1.199 . . . . 10.0 109.253 178.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.17 -43.7 87.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.115 -0.948 . . . . 10.0 112.667 -179.174 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 3.6 p -57.61 -49.0 77.86 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.974 0.416 . . . . 10.0 110.931 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -68.25 -41.05 81.73 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.913 179.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -59.85 -47.02 87.43 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.743 -0.466 . . . . 10.0 109.743 179.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 92.0 mt -67.77 -50.55 56.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.131 -0.486 . . . . 10.0 111.821 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -58.06 -46.81 84.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.717 0.294 . . . . 10.0 111.348 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 447' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -72.28 -31.99 66.22 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.488 -0.324 . . . . 10.0 110.969 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.82 -30.53 50.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 C-N-CA 120.58 -0.448 . . . . 10.0 109.837 179.223 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -63.66 -39.11 93.52 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 108.835 -0.802 . . . . 10.0 108.835 178.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -88.94 9.5 24.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.68 -0.691 . . . . 10.0 110.734 179.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 54.6 mttm -115.83 -39.94 3.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 10.0 111.03 179.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 77.6 t -69.4 -39.26 78.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.557 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -58.68 -57.91 23.19 Favored Pre-proline 0 CA--C 1.534 0.362 0 N-CA-C 112.037 0.384 . . . . 10.0 112.037 179.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -63.99 -28.13 66.31 Favored 'Trans proline' 0 C--N 1.356 0.96 0 C-N-CA 121.757 1.638 . . . . 10.0 110.981 178.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -66.58 -43.93 83.61 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 108.3 -1.0 . . . . 10.0 108.3 178.543 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 71.0 mt -67.5 -42.32 83.06 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-N 115.784 -0.644 . . . . 10.0 109.316 178.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -59.59 -52.88 63.65 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.835 179.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 458' ' ' ASP . . . . . 0.456 ' CG ' ' HZ2' ' D' ' 462' ' ' LYS . 28.5 t70 -62.56 -41.15 98.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.714 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -65.98 -44.74 84.02 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.111 179.157 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -59.41 -41.14 88.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.465 -0.334 . . . . 10.0 110.491 179.028 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 69.4 mttt -62.1 -41.09 97.85 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.54 -0.541 . . . . 10.0 109.54 178.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 462' ' ' LYS . . . . . 0.456 ' HZ2' ' CG ' ' D' ' 458' ' ' ASP . 1.3 mtmm -69.24 -41.61 76.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.472 -0.785 . . . . 10.0 110.372 178.758 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 33.1 m0 -65.03 -37.47 87.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.042 0.448 . . . . 10.0 109.835 178.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -62.05 -44.45 96.66 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.689 -0.856 . . . . 10.0 108.689 178.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 465' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -57.84 -54.55 45.66 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 108.899 -0.778 . . . . 10.0 108.899 178.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -55.2 -49.58 71.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.792 -0.64 . . . . 10.0 111.584 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 71.7 mtm -62.67 -46.06 89.94 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 111.908 0.336 . . . . 10.0 111.908 -179.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -66.12 -33.66 76.28 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.855 0.359 . . . . 10.0 110.362 179.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 469' ' ' LEU . . . . . . . . . . . . . 31.5 mt -70.83 -38.39 73.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 10.0 109.806 178.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 7.1 m-30 -61.04 -36.89 80.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.227 0.536 . . . . 10.0 109.656 178.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 65.1 mtt180 -76.52 -4.19 41.42 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.713 -0.676 . . . . 10.0 111.018 179.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -118.21 -3.77 11.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.975 0.417 . . . . 10.0 110.49 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 473' ' ' LYS . . . . . . . . . . . . . 44.3 mttp -127.42 -65.35 0.94 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.554 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 26.2 t -61.16 -41.16 88.37 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.31 0 CA-C-N 116.378 -0.374 . . . . 10.0 111.738 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -62.11 -56.31 32.56 Favored Pre-proline 0 CA--C 1.535 0.385 0 N-CA-C 111.502 0.186 . . . . 10.0 111.502 179.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -59.52 -38.91 80.02 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 121.745 1.63 . . . . 10.0 110.514 177.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 38.2 mt -65.69 -27.18 68.16 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.167 178.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 16.4 mtt-85 -62.91 -36.88 84.84 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 108.435 -0.95 . . . . 10.0 108.435 178.053 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -76.32 -41.94 46.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.36 -0.836 . . . . 10.0 109.823 178.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.35 -44.04 97.86 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.347 0.594 . . . . 10.0 109.701 178.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 93.2 mt -74.39 -28.27 61.02 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.815 -0.629 . . . . 10.0 110.476 179.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -68.94 -49.23 59.83 Favored 'General case' 0 CA--C 1.521 -0.162 0 N-CA-C 109.475 -0.565 . . . . 10.0 109.475 179.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.83 -41.03 96.06 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 109.401 -0.592 . . . . 10.0 109.401 178.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -63.77 -40.16 98.19 Favored Glycine 0 N--CA 1.449 -0.481 0 N-CA-C 111.007 -0.837 . . . . 10.0 111.007 178.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -68.9 -36.39 77.99 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 110.054 -0.35 . . . . 10.0 110.054 179.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 77.4 mtt180 -65.29 -45.97 82.27 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.12 -0.696 . . . . 10.0 109.12 178.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -64.41 -38.43 91.01 Favored 'General case' 0 C--O 1.224 -0.238 0 N-CA-C 108.805 -0.813 . . . . 10.0 108.805 178.029 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 54.2 tttt -63.35 -42.02 98.89 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.734 -0.666 . . . . 10.0 109.632 178.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 36.1 mt -66.44 -37.06 84.33 Favored 'General case' 0 C--O 1.224 -0.276 0 N-CA-C 109.238 -0.652 . . . . 10.0 109.238 178.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 -65.73 -42.68 90.75 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 108.948 -0.76 . . . . 10.0 108.948 178.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -57.09 -47.2 81.63 Favored 'General case' 0 CA--C 1.521 -0.173 0 N-CA-C 108.365 -0.976 . . . . 10.0 108.365 177.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 59.6 mt -64.15 -43.53 94.92 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 115.392 -0.822 . . . . 10.0 110.556 179.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -55.71 -37.51 68.48 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.968 0.413 . . . . 10.0 110.831 179.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -72.02 0.97 8.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.96 -0.564 . . . . 10.0 111.546 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 495' ' ' LYS . . . . . . . . . . . . . 9.8 mttp -125.66 -28.24 3.29 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.717 178.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 73.9 mt -64.14 -37.9 89.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.008 -0.542 . . . . 10.0 111.357 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 497' ' ' SER . . . . . . . . . . . . . 1.8 m -81.9 -60.61 0.39 Allowed Pre-proline 0 C--N 1.32 -0.703 0 C-N-CA 120.731 -0.387 . . . . 10.0 111.065 178.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 498' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_exo -59.37 -65.4 0.08 OUTLIER 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 122.305 2.004 . . . . 10.0 112.696 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 499' ' ' LEU . . . . . . . . . . . . . 12.4 mt -66.61 -36.09 81.76 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.651 -0.249 . . . . 10.0 111.19 -179.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -58.66 -53.71 43.87 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.84 -0.695 . . . . 10.0 111.785 179.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -69.25 -27.49 65.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.823 0.344 . . . . 10.0 110.545 179.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 502' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -67.64 -42.44 82.26 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 108.678 -0.86 . . . . 10.0 108.678 177.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 87.9 mmm -63.26 -37.2 86.31 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 109.29 -0.633 . . . . 10.0 109.29 178.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 -63.82 -41.44 97.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.791 -0.64 . . . . 10.0 109.541 178.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -63.86 -41.15 97.84 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.505 -0.554 . . . . 10.0 109.505 178.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 506' ' ' ARG . . . . . . . . . . . . . 60.5 mtt180 -61.4 -42.64 99.05 Favored 'General case' 0 CA--C 1.52 -0.202 0 N-CA-C 108.303 -0.999 . . . . 10.0 108.303 177.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -59.82 -41.52 91.48 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.711 -0.677 . . . . 10.0 109.594 178.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 508' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -60.6 -44.86 95.79 Favored 'General case' 0 C--O 1.223 -0.313 0 N-CA-C 109.154 -0.684 . . . . 10.0 109.154 178.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -63.29 -34.9 78.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.849 -0.614 . . . . 10.0 110.678 179.492 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 29.5 m-70 -73.94 -49.88 22.61 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.706 179.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 91.6 t -63.24 -41.43 92.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.363 -0.38 . . . . 10.0 110.001 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -61.62 -39.18 90.33 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 109.344 -0.613 . . . . 10.0 109.344 178.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -62.75 -46.78 86.46 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 108.604 -0.888 . . . . 10.0 108.604 178.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 514' ' ' LEU . . . . . . . . . . . . . 89.1 mt -60.22 -27.27 67.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.613 -0.721 . . . . 10.0 110.994 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 515' ' ' ARG . . . . . . . . . . . . . 74.6 mtt180 -68.06 -21.43 65.0 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.128 0.49 . . . . 10.0 110.534 178.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 4.4 m -111.22 -15.3 13.68 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.679 179.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 35.6 m170 -96.23 -39.62 9.58 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.026 -0.534 . . . . 10.0 111.221 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 88.6 mt -94.85 -54.98 3.26 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.508 0.558 . . . . 10.0 112.508 -178.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 519' ' ' ALA . . . . . . . . . . . . . . . -47.96 -59.78 5.29 Favored Pre-proline 0 N--CA 1.47 0.532 0 N-CA-C 114.02 1.118 . . . . 10.0 114.02 -178.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 520' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -63.54 -35.26 60.76 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 121.863 1.709 . . . . 10.0 111.478 179.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -66.41 -38.16 86.83 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.498 -0.319 . . . . 10.0 110.265 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 20.7 m -62.01 -34.27 75.89 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.375 -0.602 . . . . 10.0 109.375 178.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.91 -41.23 87.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.788 -0.642 . . . . 10.0 109.64 179.002 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -68.83 -37.23 79.03 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.465 -0.788 . . . . 10.0 109.372 178.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 20.1 mt -63.6 -35.94 82.16 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.692 -0.685 . . . . 10.0 109.468 178.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 526' ' ' ARG . . . . . . . . . . . . . 76.7 mtt180 -62.69 -38.88 92.12 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-N 115.916 -0.584 . . . . 10.0 109.701 178.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -67.79 -42.92 80.89 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-N 116.114 -0.493 . . . . 10.0 109.699 179.27 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 528' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -65.09 -44.46 88.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.635 -0.711 . . . . 10.0 109.279 179.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 17.9 mt -65.83 -31.14 71.94 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.504 178.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -64.56 -46.89 80.85 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.112 -0.699 . . . . 10.0 109.112 178.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -67.77 -40.85 83.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.794 -0.639 . . . . 10.0 109.575 178.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 22.3 ttm180 -60.67 -48.66 80.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.352 -0.84 . . . . 10.0 109.791 179.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 27.9 mt -65.8 -34.57 78.47 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.462 179.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -61.4 -46.09 91.58 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 108.853 -0.795 . . . . 10.0 108.853 178.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -65.4 -42.07 92.97 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.766 -0.652 . . . . 10.0 109.837 178.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 90.8 mt -65.63 -27.4 68.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.966 -0.561 . . . . 10.0 111.01 179.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -79.91 -45.91 17.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.44 -0.345 . . . . 10.0 110.141 178.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -63.13 -44.74 94.75 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.441 -0.577 . . . . 10.0 109.441 179.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -71.53 -31.26 66.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.352 -0.84 . . . . 10.0 109.2 178.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -65.2 -50.7 55.42 Favored Glycine 0 N--CA 1.446 -0.693 0 N-CA-C 111.092 -0.803 . . . . 10.0 111.092 179.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -63.18 -36.58 93.63 Favored Glycine 0 N--CA 1.445 -0.708 0 N-CA-C 110.98 -0.848 . . . . 10.0 110.98 178.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -65.03 -48.86 72.37 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 109.183 -0.673 . . . . 10.0 109.183 178.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 50.1 mtt85 -63.42 -37.97 89.34 Favored 'General case' 0 C--O 1.218 -0.585 0 CA-C-N 115.859 -0.61 . . . . 10.0 110.864 179.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 33.1 mt -59.49 -41.33 89.59 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 109.394 -0.595 . . . . 10.0 109.394 178.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -67.33 -41.12 85.77 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.172 -0.922 . . . . 10.0 109.218 178.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -64.49 -45.47 87.16 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 115.943 -0.571 . . . . 10.0 109.943 178.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -59.43 -44.65 92.87 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 115.934 -0.575 . . . . 10.0 109.618 178.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.73 -41.25 96.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.57 179.646 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -64.64 -51.1 64.35 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.624 -0.51 . . . . 10.0 109.624 178.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.89 -31.4 72.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.854 179.698 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -66.25 -44.55 83.36 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.059 -0.719 . . . . 10.0 109.059 178.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 10.1 m -64.51 -43.42 94.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.857 -0.61 . . . . 10.0 109.575 178.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -62.74 -49.26 75.74 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.094 179.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 17.4 t60 -61.46 -39.47 90.99 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.119 179.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 61.4 tp -62.46 -36.9 83.92 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.664 -0.495 . . . . 10.0 109.664 178.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 35.3 m -66.38 -46.09 77.85 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.609 -0.723 . . . . 10.0 109.754 178.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 2.5 p -70.76 -25.51 62.94 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.017 0.437 . . . . 10.0 110.619 179.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 4.2 mt -67.27 -55.44 13.92 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 115.804 -0.635 . . . . 10.0 109.898 179.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 2.5 p -66.04 -35.99 82.04 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.255 -0.43 . . . . 10.0 110.626 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.41 -26.35 68.44 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.889 179.334 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.71 -42.87 7.03 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.213 -0.448 . . . . 10.0 111.253 179.704 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -56.91 -45.32 82.74 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.912 -0.586 . . . . 10.0 112.299 -179.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -53.3 -64.29 1.8 Allowed Pre-proline 0 CA--C 1.539 0.526 0 N-CA-C 112.908 0.707 . . . . 10.0 112.908 -179.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -64.14 -38.57 35.64 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 121.66 1.573 . . . . 10.0 112.145 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -61.92 -53.09 60.58 Favored 'General case' 0 CA--C 1.522 -0.121 0 CA-C-O 120.64 0.257 . . . . 10.0 111.5 -179.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 77.4 mt -63.25 -42.21 99.16 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.564 -0.289 . . . . 10.0 111.22 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -61.82 -47.9 83.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.502 -0.317 . . . . 10.0 110.243 178.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -65.32 -38.54 90.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.093 0.473 . . . . 10.0 110.236 179.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 18.8 mt -59.57 -48.78 80.31 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-N 115.71 -0.677 . . . . 10.0 110.059 178.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 56.6 mtt180 -64.08 -37.9 89.11 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.015 0.436 . . . . 10.0 109.966 179.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -66.54 -14.08 61.84 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.598 -0.728 . . . . 10.0 110.491 178.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -105.83 -31.97 4.01 Favored Glycine 0 N--CA 1.444 -0.827 0 N-CA-C 110.696 -0.961 . . . . 10.0 110.696 178.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 65.6 mt -64.06 -45.23 89.71 Favored 'General case' 0 C--O 1.225 -0.214 0 C-N-CA 122.571 0.348 . . . . 10.0 111.562 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 46.1 mt -56.54 -59.77 11.21 Favored Pre-proline 0 CA--C 1.536 0.437 0 N-CA-C 112.044 0.386 . . . . 10.0 112.044 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -63.39 -34.52 65.84 Favored 'Trans proline' 0 C--N 1.356 0.956 0 C-N-CA 121.751 1.634 . . . . 10.0 112.045 178.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -66.58 -36.89 78.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.707 0.289 . . . . 10.0 110.491 179.463 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 52.0 mt -66.85 -40.08 87.79 Favored 'General case' 0 CA--C 1.521 -0.146 0 N-CA-C 109.444 -0.576 . . . . 10.0 109.444 178.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -65.64 -37.74 87.41 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.935 -0.575 . . . . 10.0 109.811 178.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 46.6 m -68.81 -39.73 79.91 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.756 -0.656 . . . . 10.0 109.52 178.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -64.89 -40.71 95.53 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.145 178.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -56.68 -45.34 81.8 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.513 179.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 90.8 t -60.51 -49.7 83.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.362 -0.381 . . . . 10.0 111.119 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 1.3 p -66.32 -42.22 88.54 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.637 -0.256 . . . . 10.0 111.624 -179.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -65.29 -46.5 80.18 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.871 0.323 . . . . 10.0 111.871 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 67.2 mt -62.8 -42.79 99.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.585 -0.28 . . . . 10.0 110.508 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 16.2 m -67.25 -30.86 70.87 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.179 0.514 . . . . 10.0 110.196 179.138 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -72.27 -57.31 4.32 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.468 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 87.9 mt -59.42 -41.38 89.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.124 -0.489 . . . . 10.0 111.905 -179.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -60.84 -47.96 83.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.91 0.385 . . . . 10.0 110.303 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -68.95 -32.36 71.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.374 -0.376 . . . . 10.0 110.731 179.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -62.95 -36.99 85.3 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.704 -0.48 . . . . 10.0 109.704 178.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 7.0 m -66.07 -24.65 66.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.978 -0.556 . . . . 10.0 110.823 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -81.66 -40.37 22.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.164 179.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 10.8 mptt -73.21 -40.16 64.95 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.646 -0.706 . . . . 10.0 110.755 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 57.9 mt -93.37 36.93 1.05 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.264 -0.426 . . . . 10.0 110.561 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 . . . . . 0 C--N 1.323 -0.569 0 CA-C-N 116.397 -0.365 . . . . 10.0 111.331 -179.737 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.535 0.372 0 CA-C-O 120.925 0.393 . . . . 10.0 111.299 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 2.1 m -77.43 142.48 39.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.857 -179.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -93.23 139.05 31.04 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.321 -0.399 . . . . 10.0 109.983 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -130.7 111.03 11.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.76 0.314 . . . . 10.0 111.332 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -79.79 110.64 15.33 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.478 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -112.65 116.4 30.09 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.867 -178.724 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 22.8 t -102.36 129.79 53.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.486 -0.325 . . . . 10.0 110.204 179.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 14.9 t -92.77 116.48 34.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 120.927 0.394 . . . . 10.0 111.248 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 11.3 m -111.97 149.95 14.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.878 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 150.14 163.33 11.09 Favored Glycine 0 N--CA 1.444 -0.827 0 N-CA-C 110.757 -0.937 . . . . 10.0 110.757 -179.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.14 155.97 39.48 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.914 0.387 . . . . 10.0 111.178 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.1 135.06 41.19 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.084 0.468 . . . . 10.0 110.619 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 114.73 -20.27 15.27 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.522 -0.847 . . . . 10.0 111.791 -179.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 10.7 m -73.3 -16.21 17.4 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 CA-C-O 120.803 0.335 . . . . 10.0 111.665 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 91.54 42.7 4.76 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.822 -0.704 . . . . 10.0 113.561 179.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 46.3 mtmt -66.2 -39.66 89.83 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.868 -0.419 . . . . 10.0 109.868 179.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 6.3 m -76.27 -34.57 59.12 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.242 -0.436 . . . . 10.0 110.906 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.49 -42.43 82.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.29 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 30.3 mt -64.01 -46.39 84.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.666 -0.697 . . . . 10.0 110.534 179.24 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 3.0 m -63.54 -44.15 95.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.016 -0.538 . . . . 10.0 111.469 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 97.8 mt -62.62 -37.07 78.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.965 0.412 . . . . 10.0 110.566 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -68.02 -26.0 65.67 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.251 0.548 . . . . 10.0 110.481 178.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 36.5 tp -88.63 -38.93 14.43 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.077 -0.511 . . . . 10.0 111.474 -179.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 46.2 mm -84.23 -61.1 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 112.137 0.421 . . . . 10.0 112.137 -178.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -82.41 -14.56 54.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.72 0.295 . . . . 10.0 111.697 -179.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 32.4 m-80 70.91 30.1 2.9 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 113.355 0.872 . . . . 10.0 113.355 178.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 35.4 p80 -149.76 160.92 43.16 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.878 0.371 . . . . 10.0 111.803 178.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -97.26 142.97 28.5 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.833 -0.621 . . . . 10.0 110.673 -179.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 12.8 m -114.24 137.09 48.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 120.866 0.365 . . . . 10.0 110.914 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -90.26 -26.63 19.95 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.004 -0.543 . . . . 10.0 109.835 179.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -75.46 118.14 18.01 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.614 -0.721 . . . . 10.0 111.496 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -73.89 134.23 43.22 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.817 -0.438 . . . . 10.0 109.817 179.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -127.42 120.92 22.24 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-O 120.928 0.394 . . . . 10.0 111.132 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -76.83 72.35 5.78 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 123.105 2.537 . . . . 10.0 112.156 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.21 128.88 38.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.112 -0.495 . . . . 10.0 111.577 179.774 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 50.4 mm -91.35 -44.59 14.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.586 -0.524 . . . . 10.0 109.586 179.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -168.21 107.38 0.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.751 -0.659 . . . . 10.0 110.666 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -133.95 137.36 44.81 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.305 -0.407 . . . . 10.0 110.186 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 8.5 p -110.83 143.53 41.25 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.194 0.521 . . . . 10.0 111.421 -179.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -135.97 141.54 44.44 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.457 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -113.38 140.45 48.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.816 0.341 . . . . 10.0 111.331 -179.729 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 53.8 tttp -147.14 134.66 20.89 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.325 179.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -112.5 111.91 23.08 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.869 -0.419 . . . . 10.0 109.869 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 2.9 m -132.65 161.09 42.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.123 -0.489 . . . . 10.0 111.166 -179.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 27.9 t -96.36 103.87 15.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.036 179.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 39.8 mt -112.15 121.15 64.02 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 N-CA-C 109.469 -0.567 . . . . 10.0 109.469 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 62.11 16.52 8.33 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.184 0.516 . . . . 10.0 111.794 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 100.39 -6.96 57.95 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.912 -0.661 . . . . 10.0 112.265 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.427 ' CD ' ' HG ' ' B' ' 51' ' ' CYS . 0.7 OUTLIER -102.84 130.7 49.94 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.79 0.329 . . . . 10.0 110.46 -179.62 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.46 68.98 9.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.445 179.33 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' CYS . . . . . 0.427 ' HG ' ' CD ' ' B' ' 49' ' ' GLU . 4.3 m -69.49 149.87 47.81 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.706 -0.679 . . . . 10.0 112.552 -178.739 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 45.0 tp -105.1 114.08 28.05 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.416 -0.811 . . . . 10.0 109.033 178.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 25.6 mt -83.2 126.92 33.15 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.113 -0.494 . . . . 10.0 111.691 -178.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -113.64 79.4 1.24 Allowed 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 107.98 -1.118 . . . . 10.0 107.98 178.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 3.8 mt -80.99 148.24 5.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.919 -0.582 . . . . 10.0 111.949 -177.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 18.4 tp -145.57 118.27 8.64 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.899 -0.591 . . . . 10.0 110.927 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -91.69 125.46 36.42 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 109.335 -0.617 . . . . 10.0 109.335 178.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 26.0 p -108.09 151.88 25.28 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.476 -0.329 . . . . 10.0 111.199 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.27 110.35 5.86 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.536 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -91.69 44.93 2.72 Favored Glycine 0 N--CA 1.453 -0.211 0 N-CA-C 111.597 -0.601 . . . . 10.0 111.597 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -106.0 28.21 7.83 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.431 -0.385 . . . . 10.0 110.371 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 66.61 -175.06 0.19 Allowed 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.761 -0.654 . . . . 10.0 111.29 -179.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 60.84 -149.13 0.42 Allowed 'General case' 0 C--O 1.234 0.284 0 N-CA-C 109.344 -0.613 . . . . 10.0 109.344 -178.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 53.28 40.89 31.98 Favored 'General case' 0 C--O 1.234 0.273 0 O-C-N 123.112 0.258 . . . . 10.0 111.496 179.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.6 -43.1 79.8 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 115.948 -0.569 . . . . 10.0 111.564 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.77 -39.84 63.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.807 0.337 . . . . 10.0 110.526 179.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -46.01 92.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.121 -0.491 . . . . 10.0 110.8 179.749 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -62.65 -41.73 99.21 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 115.6 -0.727 . . . . 10.0 111.057 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.9 -13.26 59.33 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.9 -0.591 . . . . 10.0 112.218 -179.591 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -93.28 -60.39 1.8 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 111.853 0.316 . . . . 10.0 111.853 -179.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -60.29 -25.84 66.04 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 113.328 0.862 . . . . 10.0 113.328 -178.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 43.7 mtt -68.87 -28.96 67.17 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.036 0.446 . . . . 10.0 111.659 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 14.7 mtm180 -76.78 -32.01 57.41 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 116.514 -0.312 . . . . 10.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.07 -29.68 26.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.956 0.407 . . . . 10.0 110.877 179.595 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.29 128.18 35.9 Favored Glycine 0 C--N 1.334 0.422 0 CA-C-N 115.791 -0.641 . . . . 10.0 112.858 -179.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -95.71 -29.23 14.39 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.569 -0.53 . . . . 10.0 109.569 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -135.69 142.02 13.27 Favored Glycine 0 N--CA 1.448 -0.534 0 N-CA-C 110.216 -1.154 . . . . 10.0 110.216 178.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -122.54 132.15 54.18 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 117.535 0.668 . . . . 10.0 112.096 -179.161 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 19.0 tp -99.46 94.07 6.22 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.309 -0.86 . . . . 10.0 109.732 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 3.0 m -79.11 101.81 8.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.933 -0.576 . . . . 10.0 109.721 179.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 44.0 t -113.96 134.17 57.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.914 -0.585 . . . . 10.0 111.541 -179.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 25.7 p90 -134.66 167.65 20.43 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 115.487 -0.778 . . . . 10.0 109.318 178.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -105.93 128.41 53.78 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.313 -0.403 . . . . 10.0 109.96 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 33.8 pt -68.03 -14.08 17.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.868 -179.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 19.8 p-10 -101.97 3.24 38.75 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.321 179.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -131.27 96.36 4.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.252 -0.431 . . . . 10.0 110.179 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.5 -31.59 68.01 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.852 -0.613 . . . . 10.0 112.501 -179.233 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -57.92 -48.11 80.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 10.0 111.792 -179.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 78.9 p -62.44 -33.84 75.62 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.639 0.257 . . . . 10.0 111.687 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -65.34 -39.73 92.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.152 0.501 . . . . 10.0 110.238 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -75.72 -33.4 60.3 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.431 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.45 -22.39 66.95 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.153 179.658 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 25.4 mm -58.03 -36.28 55.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.096 -0.502 . . . . 10.0 109.721 178.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 28.8 t60 -64.46 -41.03 96.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.443 -0.799 . . . . 10.0 110.208 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 64.4 m-70 -66.52 -41.03 89.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.838 -179.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -66.06 -46.08 79.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.016 -0.538 . . . . 10.0 111.356 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 26.6 ttt180 -56.52 -48.11 77.93 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.012 -0.54 . . . . 10.0 111.944 -179.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -65.68 -39.18 91.04 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.195 -0.457 . . . . 10.0 111.378 -179.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -65.63 -49.47 68.56 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.997 -0.281 . . . . 10.0 110.883 179.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 96.8 mt -54.95 -47.05 76.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-O 121.098 0.475 . . . . 10.0 111.319 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 19.1 mtmt -64.51 -37.06 86.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.772 -0.649 . . . . 10.0 111.474 -179.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? -71.81 -39.06 70.08 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.277 -0.42 . . . . 10.0 111.061 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 69.1 t -66.92 -47.74 81.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.999 -0.546 . . . . 10.0 111.347 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -83.17 -12.53 56.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.626 -0.261 . . . . 10.0 111.523 -179.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 25.9 t0 57.79 57.29 4.27 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.642 0.734 . . . . 10.0 110.457 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 6.1 t -156.74 179.1 9.61 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.492 -0.776 . . . . 10.0 110.123 -179.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -131.26 -34.69 1.4 Allowed 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.856 0.36 . . . . 10.0 111.156 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -85.89 57.42 4.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.247 0.546 . . . . 10.0 111.55 -179.214 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 46.7 t -94.89 119.9 65.31 Favored Pre-proline 0 C--N 1.323 -0.552 0 N-CA-C 109.583 -0.525 . . . . 10.0 109.583 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -61.95 114.93 2.51 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 123.339 2.693 . . . . 10.0 112.469 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 55.4 mtm -148.34 154.7 40.33 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.983 -0.553 . . . . 10.0 109.939 -179.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 47.8 t -133.63 139.87 47.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.714 -0.476 . . . . 10.0 109.714 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 24.8 tp -95.83 120.82 36.77 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.252 -0.647 . . . . 10.0 109.252 179.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 2.3 t -124.49 138.4 54.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 120.828 0.347 . . . . 10.0 111.269 -179.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -106.96 135.78 12.96 Favored Glycine 0 N--CA 1.449 -0.442 0 N-CA-C 110.877 -0.889 . . . . 10.0 110.877 179.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -111.25 161.66 15.78 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 117.185 0.493 . . . . 10.0 110.667 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 80.5 mttt 63.13 34.85 13.29 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.033 -0.53 . . . . 10.0 111.23 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 71.2 m -74.13 0.1 14.96 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.195 -0.457 . . . . 10.0 111.524 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -95.83 -2.47 47.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.087 179.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 21.2 mt -80.52 131.49 61.27 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 115.838 -0.619 . . . . 10.0 110.772 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -69.69 149.28 67.11 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.369 2.046 . . . . 10.0 111.47 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 2.6 m 61.41 80.81 0.21 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.234 0.54 . . . . 10.0 111.79 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 -88.09 153.26 21.41 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.767 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 13.1 m -95.0 -39.75 10.01 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.154 -0.476 . . . . 10.0 110.42 179.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 60.8 t -98.68 120.03 47.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.384 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.03 154.72 29.24 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.057 -0.52 . . . . 10.0 110.694 179.556 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -62.24 -39.8 94.06 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.165 -0.47 . . . . 10.0 112.249 -178.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 4.0 mptt -59.18 -56.44 22.13 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.422 -179.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -60.09 -37.96 81.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.662 0.268 . . . . 10.0 111.656 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.59 -44.16 74.96 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.092 0.473 . . . . 10.0 110.517 179.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -70.98 -35.52 72.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.974 -0.557 . . . . 10.0 111.456 179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -62.43 -44.56 96.12 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.328 0.585 . . . . 10.0 109.708 178.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 13.2 tp -60.11 -49.53 77.27 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.517 -0.765 . . . . 10.0 109.66 178.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.78 -39.81 95.16 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.794 179.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -38.81 90.9 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.977 -0.556 . . . . 10.0 110.881 179.795 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 15.5 m -69.67 -20.36 63.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.057 -0.52 . . . . 10.0 110.786 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 21.0 m-30 -89.73 -26.03 20.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.024 179.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 95.14 21.47 25.13 Favored Glycine 0 N--CA 1.448 -0.554 0 CA-C-N 115.534 -0.757 . . . . 10.0 111.786 -179.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 44.8 pt -120.46 153.84 56.4 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-O 120.482 0.182 . . . . 10.0 110.762 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -80.92 159.6 21.1 Favored 'Trans proline' 0 C--O 1.234 0.301 0 C-N-CA 122.661 2.24 . . . . 10.0 112.231 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -128.7 130.51 47.26 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.056 -0.52 . . . . 10.0 109.831 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 24.0 mt -125.94 132.93 70.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.901 0.381 . . . . 10.0 111.308 -179.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -91.75 120.37 32.43 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.451 -0.944 . . . . 10.0 108.451 178.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 32.0 p -127.93 173.51 9.95 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.604 0.716 . . . . 10.0 112.83 -177.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 7.0 t -155.53 110.79 3.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.209 -0.905 . . . . 10.0 109.15 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -17.66 61.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.863 0.363 . . . . 10.0 110.453 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 55.4 tttt -60.05 -42.28 94.12 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.476 -0.783 . . . . 10.0 111.973 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.23 22.81 6.54 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.535 0.198 . . . . 10.0 111.535 -179.455 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 53.24 50.62 17.24 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.384 0.611 . . . . 10.0 111.43 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -82.17 89.45 6.5 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.42 -0.809 . . . . 10.0 111.377 -178.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 58.97 33.73 75.41 Favored Glycine 0 C--N 1.332 0.358 0 CA-C-N 116.117 -0.492 . . . . 10.0 114.137 178.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 22.8 t -67.02 -42.71 88.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.109 0.48 . . . . 10.0 110.758 -179.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.93 -34.39 78.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.936 -0.575 . . . . 10.0 111.679 -179.468 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -56.79 -46.35 81.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.206 -179.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.69 -40.91 96.67 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.89 -179.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -66.45 -45.62 79.17 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.599 -0.728 . . . . 10.0 111.648 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 18.1 m-30 -62.39 -40.69 97.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.096 0.474 . . . . 10.0 110.319 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 93.0 m -61.73 -36.68 81.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.763 -0.653 . . . . 10.0 111.775 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 40.0 tp -65.77 -44.81 84.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.176 -0.465 . . . . 10.0 110.645 179.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 57.5 t -65.63 -40.39 87.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.193 0.52 . . . . 10.0 110.485 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 28.2 ttp-105 -61.42 -31.89 71.83 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.46 -0.791 . . . . 10.0 111.394 179.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -66.69 -50.76 61.8 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.347 -0.388 . . . . 10.0 110.962 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 14.9 mt -59.71 -29.54 43.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.509 -0.769 . . . . 10.0 112.194 -179.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 3.0 mtt85 -66.27 -17.72 64.92 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.119 0.414 . . . . 10.0 112.119 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt . . . . . 0 C--N 1.324 -0.537 0 N-CA-C 112.114 0.413 . . . . 10.0 112.114 -179.419 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.454 -0.227 0 CA-C-O 120.884 0.373 . . . . 10.0 110.865 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 4.2 m -77.05 124.88 28.43 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.314 -0.403 . . . . 10.0 110.71 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -89.59 128.83 36.09 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.991 -0.55 . . . . 10.0 110.007 179.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -117.99 125.47 50.45 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.992 -0.373 . . . . 10.0 109.992 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -95.1 111.66 23.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.388 -0.369 . . . . 10.0 110.569 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -123.61 131.28 53.58 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.143 -0.48 . . . . 10.0 111.938 -179.396 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 20.4 t -114.36 132.37 63.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.354 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 10.1 t -96.55 122.22 47.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.552 -0.536 . . . . 10.0 109.552 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 11.5 m -123.04 157.38 28.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.41 -179.369 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 152.14 176.31 24.68 Favored Glycine 0 N--CA 1.451 -0.33 0 N-CA-C 111.289 -0.724 . . . . 10.0 111.289 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.74 174.91 4.63 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.946 0.373 . . . . 10.0 111.344 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.65 145.53 27.94 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.983 0.42 . . . . 10.0 111.337 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 74.62 18.35 80.0 Favored Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 115.439 -0.801 . . . . 10.0 113.944 179.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 30.5 m -87.36 -29.73 5.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 117.456 0.628 . . . . 10.0 112.299 -179.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 116.09 18.11 6.04 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.684 -0.77 . . . . 10.0 113.195 179.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -57.94 -46.41 85.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.14 0.495 . . . . 10.0 111.33 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 14.9 m -76.56 -35.12 58.4 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.998 -178.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.19 -47.33 86.42 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.931 0.396 . . . . 10.0 110.72 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 71.3 mt -61.57 -45.72 92.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.923 -0.58 . . . . 10.0 111.141 179.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 8.1 m -63.26 -40.56 97.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.085 0.469 . . . . 10.0 111.639 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 71.3 mt -65.81 -29.95 48.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.508 179.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -69.36 -17.2 63.67 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.338 -0.392 . . . . 10.0 111.39 179.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 20.7 tp -94.68 -37.05 11.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.96 0.409 . . . . 10.0 110.708 179.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 36.6 mm -83.91 -72.31 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.472 -0.331 . . . . 10.0 111.217 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -76.11 -21.49 56.6 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.117 -0.492 . . . . 10.0 111.385 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 32.7 m-80 68.67 34.68 3.37 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 113.403 0.89 . . . . 10.0 113.403 178.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 3.8 p80 -140.11 156.49 46.54 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.468 -0.333 . . . . 10.0 110.117 178.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -97.31 118.13 33.09 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.028 0.442 . . . . 10.0 111.413 -179.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -78.84 103.82 6.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 109.359 -0.608 . . . . 10.0 109.359 178.788 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -74.27 -16.53 60.94 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.208 0.528 . . . . 10.0 110.966 -179.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.89 142.76 27.1 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.386 -0.825 . . . . 10.0 109.08 178.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -93.96 112.01 23.79 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 112.285 0.476 . . . . 10.0 112.285 -179.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -114.58 108.97 48.64 Favored Pre-proline 0 C--N 1.326 -0.423 0 N-CA-C 109.011 -0.737 . . . . 10.0 109.011 178.033 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -62.74 85.02 0.11 Allowed 'Trans proline' 0 CA--C 1.528 0.213 0 C-N-CA 123.137 2.558 . . . . 10.0 113.147 -179.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.75 106.97 6.55 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.509 -0.552 . . . . 10.0 109.509 178.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 49.0 mm -64.5 -52.11 59.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 CA-C-N 116.029 -0.532 . . . . 10.0 111.319 -179.127 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -155.56 98.16 1.93 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.882 -0.599 . . . . 10.0 109.387 -179.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -123.05 139.56 53.94 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.283 -0.417 . . . . 10.0 111.032 -179.072 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.53 140.78 48.85 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.911 0.386 . . . . 10.0 111.623 -179.259 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -127.18 141.86 51.64 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.953 -0.567 . . . . 10.0 109.584 -179.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -118.87 122.74 43.02 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.909 -0.404 . . . . 10.0 109.909 179.493 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 47.1 tptt -132.4 123.22 26.31 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 121.18 -0.208 . . . . 10.0 111.122 -179.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -102.22 104.98 15.58 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.673 -0.491 . . . . 10.0 109.673 179.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 3.1 m -132.95 164.0 36.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.879 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 23.7 t -96.7 111.68 27.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.035 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 75.6 mt -113.58 119.1 60.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.934 -179.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 60.05 28.79 18.37 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.719 -0.673 . . . . 10.0 112.485 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.88 -14.93 63.98 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.753 -0.737 . . . . 10.0 113.652 179.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -104.51 137.65 42.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 122.438 -0.449 . . . . 10.0 111.324 -179.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 1.1 m -78.54 122.21 25.59 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.691 -0.855 . . . . 10.0 108.691 178.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 3.8 m -119.01 143.73 46.91 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 113.111 0.782 . . . . 10.0 113.111 -177.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 59.5 tp -105.84 99.49 9.09 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 107.199 -1.408 . . . . 10.0 107.199 177.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 22.5 mt -80.09 119.39 22.82 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 113.071 0.767 . . . . 10.0 113.071 -177.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -103.18 86.09 2.62 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.319 -1.363 . . . . 10.0 107.319 177.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 5.6 mt -85.88 135.43 25.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.4 -0.818 . . . . 10.0 111.449 -177.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 43.5 tp -125.86 111.76 15.2 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.669 179.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -94.8 118.08 31.18 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.455 -0.793 . . . . 10.0 109.462 179.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 69.8 p -108.11 147.29 31.44 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.478 -179.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.12 139.15 57.5 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.839 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -98.53 29.49 11.41 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.802 -0.713 . . . . 10.0 112.022 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -82.74 0.09 45.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.463 0.173 . . . . 10.0 111.073 -179.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 62' ' ' GLU . . . . . 0.413 ' C ' ' H ' ' C' ' 64' ' ' TYR . 31.9 mm-40 65.29 -162.65 0.26 Allowed 'General case' 0 C--O 1.235 0.32 0 N-CA-C 112.538 0.569 . . . . 10.0 112.538 -179.433 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 77.89 -28.71 0.16 Allowed 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.345 0.658 . . . . 10.0 111.579 -178.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 64' ' ' TYR . . . . . 0.413 ' H ' ' C ' ' C' ' 62' ' ' GLU . 11.2 m-85 -76.06 79.18 2.9 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.936 -179.753 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.45 -74.36 0.26 Allowed 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.214 0.53 . . . . 10.0 110.55 179.686 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -72.64 -25.84 61.43 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.227 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 24.6 ttt -64.14 -25.32 68.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.758 -0.655 . . . . 10.0 110.501 179.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 68' ' ' ARG . . . . . . . . . . . . . 1.4 tpp180 -73.41 -38.55 65.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.608 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.07 -35.89 69.9 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.233 -0.439 . . . . 10.0 111.89 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -50.49 -48.93 56.63 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.828 -0.624 . . . . 10.0 112.399 -179.293 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 71' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -95.58 -10.64 29.01 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.41 0.522 . . . . 10.0 112.41 -179.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 22.2 mtt -76.03 -33.82 59.66 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.804 0.335 . . . . 10.0 111.17 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 25.8 mtm180 -73.88 -35.45 64.72 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.891 0.377 . . . . 10.0 111.226 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -75.0 -45.32 42.76 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.913 -0.585 . . . . 10.0 112.54 -179.126 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -63.42 146.0 50.19 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.773 -0.727 . . . . 10.0 113.141 -179.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -100.22 -51.49 3.64 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.109 0.481 . . . . 10.0 110.003 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -105.92 137.81 13.99 Favored Glycine 0 N--CA 1.448 -0.544 0 CA-C-N 115.593 -0.73 . . . . 10.0 111.353 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 78' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -114.37 125.26 53.66 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.341 0.591 . . . . 10.0 112.145 -179.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 12.4 tp -102.38 104.56 15.05 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.369 -0.832 . . . . 10.0 109.853 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 72.6 m -90.54 104.89 17.42 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.378 -0.374 . . . . 10.0 110.087 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 94.8 t -104.89 119.84 54.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.813 -0.63 . . . . 10.0 110.721 -179.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 36.5 p90 -123.48 163.75 20.28 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.476 -0.784 . . . . 10.0 109.459 178.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -100.85 131.74 46.59 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 120.807 0.337 . . . . 10.0 110.306 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 84' ' ' ILE . . . . . . . . . . . . . 14.7 pt -67.1 -14.7 18.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.321 -0.4 . . . . 10.0 112.047 -179.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 28.8 p-10 -102.68 0.65 33.43 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.96 0.41 . . . . 10.0 110.429 179.41 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 44.3 t-20 -122.33 94.83 4.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.359 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -62.07 -32.57 73.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.859 -0.61 . . . . 10.0 111.799 -179.422 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -60.96 -42.77 98.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.86 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 98.4 p -69.0 -30.09 68.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.431 -0.35 . . . . 10.0 111.031 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -66.15 -48.59 70.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.548 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -72.6 -19.4 61.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.937 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.67 -22.56 60.9 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.362 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 47.6 mm -60.26 -32.52 50.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.222 -0.445 . . . . 10.0 109.817 179.212 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 64.1 t60 -61.38 -47.3 86.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.907 -0.588 . . . . 10.0 109.874 179.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 81.6 m-70 -64.3 -32.4 73.98 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.824 -0.625 . . . . 10.0 110.631 -179.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -71.08 -49.63 42.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.239 179.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -58.46 -43.05 88.7 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.642 179.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -66.02 -35.95 81.95 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.998 -0.546 . . . . 10.0 111.551 179.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -67.74 -45.05 76.08 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.814 0.34 . . . . 10.0 110.203 179.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 80.5 mt -56.26 -49.94 73.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 115.672 -0.694 . . . . 10.0 111.193 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 36.5 mtmt -59.5 -35.54 74.35 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.297 0.48 . . . . 10.0 112.297 -179.293 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 9.0 tmm_? -76.42 -41.69 46.81 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.067 0.46 . . . . 10.0 110.793 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 44.5 t -68.45 -42.75 84.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 112.801 0.667 . . . . 10.0 112.801 -178.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -93.95 -15.62 24.74 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.984 0.735 . . . . 10.0 112.984 -178.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 26.3 t70 61.58 58.62 2.01 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.412 0.625 . . . . 10.0 111.794 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 69.3 m -159.54 140.76 12.75 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.337 -0.392 . . . . 10.0 111.462 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -84.48 -39.22 19.16 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.295 -0.632 . . . . 10.0 109.295 178.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.86 96.42 9.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.517 -0.765 . . . . 10.0 110.181 179.551 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 14.5 t -124.56 129.2 24.73 Favored Pre-proline 0 C--N 1.323 -0.553 0 N-CA-C 109.606 -0.516 . . . . 10.0 109.606 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_exo -67.11 97.67 0.42 Allowed 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 122.664 2.242 . . . . 10.0 111.126 179.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 111' ' ' MET . . . . . . . . . . . . . 53.1 mtm -130.02 152.66 49.23 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.344 -0.389 . . . . 10.0 110.388 -179.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 91.3 t -135.95 134.54 50.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.971 -0.559 . . . . 10.0 109.774 179.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 14.7 tp -92.21 114.25 26.74 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.378 -0.601 . . . . 10.0 109.378 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 40.6 t -117.71 121.46 67.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.261 -0.427 . . . . 10.0 111.791 -179.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -100.07 115.61 5.35 Favored Glycine 0 N--CA 1.45 -0.375 0 N-CA-C 110.794 -0.922 . . . . 10.0 110.794 178.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -94.02 166.6 12.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 117.204 0.502 . . . . 10.0 111.801 -178.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 93.4 mttt 64.96 31.65 11.16 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.526 -0.761 . . . . 10.0 111.59 179.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 118' ' ' CYS . . . . . . . . . . . . . 90.7 m -73.02 -1.9 19.03 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.578 0.585 . . . . 10.0 112.578 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -92.45 -7.78 46.54 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.974 0.416 . . . . 10.0 110.299 179.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 71.0 mt -89.98 135.46 30.18 Favored Pre-proline 0 C--O 1.235 0.319 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.576 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -76.46 168.46 23.74 Favored 'Trans proline' 0 C--O 1.238 0.518 0 C-N-CA 122.877 2.385 . . . . 10.0 112.635 -179.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 12.9 m 58.18 64.66 1.45 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.585 -0.734 . . . . 10.0 111.337 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -84.84 152.43 23.61 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.42 -179.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 3.3 p -94.09 -39.34 10.65 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.855 0.36 . . . . 10.0 110.789 179.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 91.8 t -93.06 109.95 22.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-O 120.988 0.423 . . . . 10.0 110.531 179.312 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -69.43 146.64 51.85 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.11 -0.7 . . . . 10.0 109.11 178.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 11.1 m -55.28 -35.48 65.09 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.811 0.338 . . . . 10.0 110.401 179.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 24.7 mttp -63.57 -49.31 73.89 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 112.999 0.741 . . . . 10.0 112.999 -178.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -63.5 -35.38 80.26 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.693 -0.403 . . . . 10.0 111.217 -179.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -69.11 -38.05 78.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.048 0.452 . . . . 10.0 109.784 178.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -67.35 -42.09 84.09 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.745 -0.661 . . . . 10.0 110.099 179.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -62.96 -44.4 96.14 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 116.115 -0.493 . . . . 10.0 111.077 179.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 37.8 tp -61.75 -41.27 97.46 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 116.544 -0.298 . . . . 10.0 110.305 179.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.2 -30.8 71.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.481 179.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -64.14 -36.33 83.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.595 179.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 14.7 m -80.46 -10.59 59.74 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.027 -0.533 . . . . 10.0 111.22 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 10.2 m-30 -99.88 -31.94 11.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.111 179.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 90.06 13.42 60.56 Favored Glycine 0 C--N 1.332 0.313 0 N-CA-C 111.351 -0.7 . . . . 10.0 111.351 -179.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 43.3 pt -108.52 165.62 12.35 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.554 -0.323 . . . . 10.0 110.481 -179.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -91.67 154.65 3.49 Favored 'Trans proline' 0 CA--C 1.536 0.619 0 C-N-CA 123.051 2.501 . . . . 10.0 112.339 178.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -127.59 131.37 49.96 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.171 -0.468 . . . . 10.0 110.486 -179.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 34.3 mt -131.1 139.63 50.55 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.106 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -94.88 116.84 29.22 Favored 'General case' 0 C--O 1.233 0.204 0 N-CA-C 108.984 -0.747 . . . . 10.0 108.984 178.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 72.6 p -124.42 176.46 6.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.881 0.848 . . . . 10.0 112.92 -178.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 12.0 t -157.2 129.15 7.16 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.792 -1.095 . . . . 10.0 108.371 178.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -78.19 -25.3 47.07 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.006 0.431 . . . . 10.0 110.076 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 39.6 mtpt -67.95 -52.13 39.62 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.72 -0.673 . . . . 10.0 110.998 179.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -85.62 -11.35 54.13 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.453 -0.34 . . . . 10.0 111.067 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 27.9 ttt-85 60.51 34.3 20.41 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.549 0.69 . . . . 10.0 110.599 -179.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -97.54 126.73 43.0 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.164 -0.926 . . . . 10.0 111.094 -179.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 83.47 -4.03 83.0 Favored Glycine 0 CA--C 1.52 0.351 0 CA-C-N 115.897 -0.592 . . . . 10.0 113.572 179.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 98.8 t -57.78 -52.25 60.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.772 0.32 . . . . 10.0 111.719 -179.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -62.53 -50.51 71.07 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.187 -0.46 . . . . 10.0 111.938 -178.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -59.09 -38.97 80.78 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.571 0.582 . . . . 10.0 112.571 -178.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -57.24 -43.94 83.38 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.904 0.383 . . . . 10.0 110.899 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -73.92 -46.48 44.03 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.778 179.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -57.8 -47.79 81.57 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.771 -0.65 . . . . 10.0 111.724 -179.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 43.7 m -62.2 -37.95 87.27 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.317 -0.401 . . . . 10.0 111.217 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 54.3 tp -62.17 -43.17 99.43 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 120.996 0.427 . . . . 10.0 109.953 178.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 84.4 t -63.88 -42.27 95.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.554 0.692 . . . . 10.0 109.376 178.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 6.7 ttp180 -61.5 -37.07 82.34 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.857 -1.065 . . . . 10.0 110.607 179.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 162' ' ' GLU . . . . . 0.441 ' CD ' ' HZ1' ' C' ' 165' ' ' LYS . 18.1 mm-40 -69.07 -34.23 74.81 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.743 179.376 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 71.4 mt -62.37 -45.48 98.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 109.679 -0.489 . . . . 10.0 109.679 178.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -60.97 -45.48 94.59 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.127 -0.694 . . . . 10.0 109.127 178.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 165' ' ' LYS . . . . . 0.441 ' HZ1' ' CD ' ' C' ' 162' ' ' GLU . 29.1 ttmt -53.9 -49.74 67.92 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.083 -0.962 . . . . 10.0 109.989 179.069 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 14.8 t-80 -55.37 -47.49 75.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.438 . . . . 10.0 111.298 179.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 71.8 mttt . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.273 -0.422 . . . . 10.0 111.861 -179.296 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 7.1 tmtm? . . . . . 0 C--O 1.233 0.229 0 CA-C-O 120.97 0.414 . . . . 10.0 110.965 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 82.1 mt -64.84 -33.73 76.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.812 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 61.7 mt -58.45 -46.14 87.14 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.805 -0.634 . . . . 10.0 111.646 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -80.09 -34.43 37.98 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.566 -0.453 . . . . 10.0 111.454 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -64.45 -35.26 80.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.023 0.439 . . . . 10.0 110.282 178.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 42.3 t90 -70.2 -27.83 64.81 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.431 -0.581 . . . . 10.0 109.431 178.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -64.08 -38.84 92.54 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.793 -0.639 . . . . 10.0 109.868 179.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.16 -34.96 78.68 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.168 179.132 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 46.4 t -68.89 -40.61 81.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 109.068 -0.716 . . . . 10.0 109.068 178.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 90.3 m -60.64 -44.04 96.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.366 -0.834 . . . . 10.0 110.337 179.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.75 -35.59 81.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.993 0.425 . . . . 10.0 109.914 179.321 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 34.9 m -64.81 -44.63 89.27 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.096 -0.705 . . . . 10.0 109.096 178.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -59.48 -42.67 92.61 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.178 179.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 19.4 m -60.55 -50.55 73.11 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.824 -0.626 . . . . 10.0 110.293 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 36.3 mmtt -62.41 -33.75 75.4 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.163 -0.472 . . . . 10.0 110.451 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 71.4 mt -65.47 -47.35 76.36 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.099 178.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 58.8 mtt85 -64.88 -38.75 92.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.33 -0.396 . . . . 10.0 110.774 179.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -63.54 -24.48 67.83 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.681 179.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -96.95 -33.55 11.55 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.812 -0.631 . . . . 10.0 110.675 179.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 17.6 mt -53.15 -42.6 66.28 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 116.357 -0.383 . . . . 10.0 111.488 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -54.79 -67.32 2.26 Favored Glycine 0 N--CA 1.45 -0.403 0 N-CA-C 111.368 -0.693 . . . . 10.0 111.368 178.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -53.24 -42.93 61.41 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.516 2.144 . . . . 10.0 111.233 178.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 5.7 t -55.57 -52.04 51.59 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 CA-C-N 116.387 -0.369 . . . . 10.0 111.542 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 6.6 p -67.03 -37.39 84.03 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.866 -0.334 . . . . 10.0 110.856 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -62.71 -50.36 71.42 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.028 0.442 . . . . 10.0 110.838 179.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -66.8 -41.93 86.76 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.925 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -66.3 -43.72 85.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.425 -0.352 . . . . 10.0 111.339 179.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -65.1 -38.42 90.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.779 0.323 . . . . 10.0 110.714 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -60.99 -45.57 94.26 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.291 0.567 . . . . 10.0 109.672 178.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 62.5 m-20 -70.83 -35.56 72.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.483 -0.78 . . . . 10.0 110.256 179.242 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 19.3 mt -65.02 -40.22 94.54 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.469 -0.567 . . . . 10.0 109.469 178.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -63.09 -34.5 77.73 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.665 179.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 50.7 mttt -62.54 -37.4 85.94 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 108.607 -0.886 . . . . 10.0 108.607 178.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -72.26 -44.78 62.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.073 -0.967 . . . . 10.0 110.682 178.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.96 -38.7 92.03 Favored 'General case' 0 CA--C 1.521 -0.143 0 C-N-CA 120.745 -0.382 . . . . 10.0 110.328 179.385 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -65.24 -42.1 93.7 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 108.873 -0.788 . . . . 10.0 108.873 178.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -62.66 -40.35 99.06 Favored Glycine 0 N--CA 1.447 -0.576 0 N-CA-C 110.021 -1.232 . . . . 10.0 110.021 178.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 13.4 mt -67.74 -34.57 77.1 Favored 'General case' 0 C--O 1.224 -0.272 0 C-N-CA 122.655 0.382 . . . . 10.0 110.662 178.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 41.4 mtt180 -65.24 -39.69 93.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.101 0.477 . . . . 10.0 109.925 178.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -77.99 -28.03 49.16 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.014 -0.735 . . . . 10.0 109.014 178.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -69.48 -37.2 77.16 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 108.302 -0.999 . . . . 10.0 108.302 178.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 38.1 ttm -60.57 -34.47 74.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.442 -0.799 . . . . 10.0 110.259 178.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 14.7 m -70.15 1.88 4.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.716 -0.674 . . . . 10.0 111.59 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -128.79 -46.98 1.26 Allowed 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.751 -0.659 . . . . 10.0 110.025 178.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 246' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -64.43 -56.24 15.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.339 -0.391 . . . . 10.0 110.839 179.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . 13.6 mt -75.68 -40.63 55.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.387 -0.369 . . . . 10.0 111.6 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -60.49 -51.53 69.06 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.491 -0.322 . . . . 10.0 111.781 -179.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -70.53 -33.42 71.14 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 121.031 -0.268 . . . . 10.0 111.577 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 250' ' ' VAL . . . . . . . . . . . . . 1.9 p -67.02 -32.15 56.64 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.209 0 C-N-CA 120.889 -0.324 . . . . 10.0 110.881 179.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -80.55 -38.14 30.15 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-O 121.025 0.441 . . . . 10.0 110.595 179.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -68.41 -39.05 81.75 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.005 -0.543 . . . . 10.0 109.691 178.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 50.3 mttt -80.15 -23.68 40.95 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.718 -0.674 . . . . 10.0 111.32 179.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 254' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.74 -27.6 43.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 C-N-CA 121.066 -0.254 . . . . 10.0 110.896 -179.59 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -61.04 -63.61 4.12 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.987 179.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -65.97 -32.82 43.88 Favored 'Trans proline' 0 C--N 1.355 0.921 0 C-N-CA 121.687 1.591 . . . . 10.0 112.057 178.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 4.8 m-30 -62.4 -55.19 30.29 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.871 0.367 . . . . 10.0 110.242 179.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 49.6 mt -66.66 -33.5 75.79 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.855 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -62.95 -46.05 89.57 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 109.716 -0.475 . . . . 10.0 109.716 179.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -63.0 -47.8 81.57 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.821 -0.627 . . . . 10.0 110.272 179.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -61.94 -42.72 99.43 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.978 179.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -65.78 -40.47 92.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.052 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 14.4 ttmt -61.54 -46.19 91.01 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.017 -0.734 . . . . 10.0 109.017 178.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 264' ' ' LYS . . . . . . . . . . . . . 44.9 mttp -61.74 -47.15 86.5 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 115.444 -0.798 . . . . 10.0 109.67 178.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 20.1 m95 -58.71 -42.54 88.91 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 115.681 -0.691 . . . . 10.0 110.782 179.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -59.33 -52.18 66.75 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 110.065 -0.346 . . . . 10.0 110.065 179.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -60.81 -47.1 87.89 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.545 179.108 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -59.54 -44.1 93.32 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.715 -0.675 . . . . 10.0 111.489 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 82.4 mmm -66.53 -46.07 77.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.284 -0.416 . . . . 10.0 111.111 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -62.52 -41.75 99.06 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.583 -0.28 . . . . 10.0 110.691 179.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 35.3 mt -65.65 -39.58 91.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 10.0 109.897 178.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -63.85 -44.08 94.2 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.292 179.049 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -69.61 -36.5 76.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.39 -0.368 . . . . 10.0 110.965 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -67.51 -17.63 64.74 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.901 -0.591 . . . . 10.0 110.045 178.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 275' ' ' LYS . . . . . . . . . . . . . 8.0 mptt -101.39 -44.64 5.57 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.663 -0.699 . . . . 10.0 110.808 179.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 4.2 p -56.31 -34.87 41.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 112.773 0.657 . . . . 10.0 112.773 -178.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -64.05 -60.84 7.88 Favored Pre-proline 0 CA--C 1.539 0.542 0 N-CA-C 112.338 0.496 . . . . 10.0 112.338 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -64.59 -35.03 49.83 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 121.927 1.751 . . . . 10.0 111.745 178.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 51.5 mt -66.8 -37.86 85.38 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.846 0.355 . . . . 10.0 110.323 179.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -65.17 -33.24 75.54 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.079 -0.712 . . . . 10.0 109.079 179.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -64.46 -46.98 80.75 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.06 -0.718 . . . . 10.0 109.06 178.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -60.33 -46.14 90.96 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.259 178.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 95.2 mt -63.38 -43.77 96.65 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 115.625 -0.716 . . . . 10.0 110.898 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -66.25 -51.89 53.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 10.0 111.115 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -61.5 -42.67 99.14 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 120.79 0.329 . . . . 10.0 110.587 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -62.17 -46.26 94.35 Favored Glycine 0 N--CA 1.447 -0.601 0 N-CA-C 110.789 -0.924 . . . . 10.0 110.789 178.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -63.07 -39.95 96.23 Favored 'General case' 0 C--O 1.221 -0.422 0 N-CA-C 109.998 -0.371 . . . . 10.0 109.998 179.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -55.6 -43.84 76.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.424 179.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -74.34 -45.48 46.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.755 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -59.74 -42.45 93.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.301 -0.409 . . . . 10.0 110.544 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 93.8 mt -67.37 -33.1 74.51 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.75 -0.463 . . . . 10.0 109.75 178.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -66.89 -42.02 86.22 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.183 -0.673 . . . . 10.0 109.183 178.073 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.94 -35.12 79.64 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.036 -0.728 . . . . 10.0 109.036 178.02 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 76.9 mt -67.32 -48.75 66.65 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 109.069 -0.715 . . . . 10.0 109.069 178.158 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -59.97 -35.83 75.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.927 -0.579 . . . . 10.0 110.236 179.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -65.61 -7.47 15.18 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.515 -0.766 . . . . 10.0 111.3 179.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 16.0 mmtp -120.75 -29.95 4.56 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 120.943 0.401 . . . . 10.0 110.13 178.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 91.6 mt -67.89 -32.82 73.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.349 -0.387 . . . . 10.0 111.331 179.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 299' ' ' SER . . . . . . . . . . . . . 12.8 m -74.79 -60.42 1.26 Allowed Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 112.433 0.531 . . . . 10.0 112.433 179.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 300' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -64.91 -53.08 0.99 Allowed 'Trans proline' 0 C--N 1.357 1.021 0 C-N-CA 121.876 1.717 . . . . 10.0 112.809 -179.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 59.4 mt -68.3 -23.77 64.78 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.81 0.338 . . . . 10.0 110.301 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -73.54 -47.4 21.64 Favored Glycine 0 N--CA 1.448 -0.545 0 N-CA-C 110.545 -1.022 . . . . 10.0 110.545 178.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -64.16 -40.44 96.15 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 109.074 -0.713 . . . . 10.0 109.074 178.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.16 -42.76 99.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.556 -0.747 . . . . 10.0 109.126 178.435 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 10.3 tpt -59.22 -41.47 88.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.211 179.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 63.9 mtt180 -65.93 -41.77 90.92 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.289 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -69.29 -38.4 78.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.169 0.509 . . . . 10.0 110.08 179.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -65.79 -42.27 90.93 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.066 -0.716 . . . . 10.0 109.066 178.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -61.52 -31.84 71.86 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.529 -0.76 . . . . 10.0 109.791 178.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 310' ' ' ARG . . . . . . . . . . . . . 89.6 mtt180 -58.18 -57.78 11.34 Favored 'General case' 0 C--O 1.221 -0.42 0 N-CA-C 109.017 -0.734 . . . . 10.0 109.017 178.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -67.64 -36.47 80.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.092 -0.504 . . . . 10.0 110.684 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -53.43 -52.35 59.69 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 115.95 -0.568 . . . . 10.0 109.929 179.397 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 60.4 t -81.28 -36.2 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.455 -0.793 . . . . 10.0 111.758 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -54.5 -47.12 73.42 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.699 0.285 . . . . 10.0 111.107 -179.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -61.39 -41.59 97.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.914 -0.585 . . . . 10.0 110.287 179.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 29.1 mt -69.1 -40.27 78.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.989 -0.551 . . . . 10.0 111.273 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 25.2 ttm105 -65.81 -46.99 76.57 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.976 -0.379 . . . . 10.0 109.976 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 88.9 m -64.68 -35.2 80.27 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.637 -0.505 . . . . 10.0 109.637 179.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.24 -32.39 64.7 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.15 -0.477 . . . . 10.0 110.186 179.488 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 1.4 mt -74.24 -22.73 59.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.789 -0.641 . . . . 10.0 111.807 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -54.67 -58.57 13.65 Favored Pre-proline 0 CA--C 1.536 0.411 0 N-CA-C 112.108 0.41 . . . . 10.0 112.108 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_exo -73.94 -28.13 11.49 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 121.909 1.739 . . . . 10.0 110.747 178.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 8.4 m-30 -63.99 -51.35 64.72 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.076 -0.511 . . . . 10.0 111.187 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 35.0 p -68.3 -35.85 78.44 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.879 0.371 . . . . 10.0 110.186 179.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -59.27 -49.86 76.2 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.399 -0.593 . . . . 10.0 109.399 178.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -72.88 -24.56 60.87 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.696 -0.684 . . . . 10.0 110.768 179.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 7.0 mt -64.55 -36.04 82.91 Favored 'General case' 0 CA--C 1.52 -0.188 0 N-CA-C 108.86 -0.793 . . . . 10.0 108.86 177.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 63.7 mtt180 -65.34 -37.01 85.77 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 108.768 -0.827 . . . . 10.0 108.768 178.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -70.32 -37.38 74.7 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.539 -0.755 . . . . 10.0 109.39 178.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 330' ' ' ARG . . . . . 0.412 HH21 ' CB ' ' D' ' 447' ' ' GLU . 16.7 mtt-85 -62.91 -47.67 82.25 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 108.342 -0.985 . . . . 10.0 108.342 177.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 48.2 mt -61.15 -41.2 96.33 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 115.074 -0.966 . . . . 10.0 109.687 178.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -60.88 -48.35 82.22 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.017 179.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -59.9 -46.21 90.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.458 -0.337 . . . . 10.0 110.519 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -63.3 -45.58 90.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.042 -0.527 . . . . 10.0 109.916 179.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 53.8 mt -63.77 -40.95 97.94 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.494 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -62.14 -40.93 97.61 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.71 -0.478 . . . . 10.0 109.71 179.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -65.89 -40.76 91.86 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.07 -0.715 . . . . 10.0 109.07 178.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 83.5 mt -74.6 -7.01 51.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.645 -0.707 . . . . 10.0 110.656 179.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 54.3 mttt -96.3 -53.06 3.75 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.507 -0.553 . . . . 10.0 109.507 179.045 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -66.38 -58.54 5.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.927 -0.579 . . . . 10.0 109.831 179.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -70.52 -36.2 73.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.716 -0.675 . . . . 10.0 109.698 179.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -59.27 -44.73 96.28 Favored Glycine 0 C--N 1.335 0.514 0 CA-C-N 115.769 -0.65 . . . . 10.0 111.57 179.334 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -62.16 -39.78 98.1 Favored Glycine 0 N--CA 1.45 -0.381 0 N-CA-C 110.697 -0.961 . . . . 10.0 110.697 178.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -64.37 -40.62 96.2 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.821 -0.437 . . . . 10.0 109.821 178.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 46.8 mtm180 -62.05 -41.38 98.07 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 115.898 -0.592 . . . . 10.0 109.886 178.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 70.6 mt -63.27 -49.28 74.67 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.138 -0.483 . . . . 10.0 109.81 179.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.41 -41.62 89.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.094 179.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -65.58 -45.94 81.33 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.867 -0.606 . . . . 10.0 110.147 178.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 5.4 m-30 -60.35 -41.72 94.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.355 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 48.4 m-70 -66.18 -42.2 89.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.481 179.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -63.65 -44.04 95.01 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.033 0.444 . . . . 10.0 110.102 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 10.9 mtmm -66.16 -34.67 78.56 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 115.721 -0.672 . . . . 10.0 109.863 178.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -63.17 -40.31 97.17 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.44 -0.578 . . . . 10.0 109.44 178.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 2.6 m -64.28 -35.91 82.37 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.57 -0.53 . . . . 10.0 109.57 178.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -66.27 -36.83 84.0 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 109.243 -0.651 . . . . 10.0 109.243 178.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 45.2 m-70 -73.26 -27.77 61.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.417 -0.811 . . . . 10.0 109.984 178.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 79.6 mt -74.41 -42.11 59.76 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.992 -0.549 . . . . 10.0 111.664 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 1.4 p -64.85 -43.02 94.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.067 0.461 . . . . 10.0 110.057 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 4.3 p -71.24 -25.98 62.71 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.932 -0.576 . . . . 10.0 109.558 178.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 38.0 tp -69.77 -31.05 68.78 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 108.569 -0.9 . . . . 10.0 108.569 177.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 15.5 m -63.07 -32.43 73.8 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.839 -0.619 . . . . 10.0 109.975 178.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -68.55 -22.16 64.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.633 0.73 . . . . 10.0 109.358 179.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 363' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -92.17 -40.77 10.82 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.469 -0.787 . . . . 10.0 109.124 178.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -67.64 -35.01 78.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.744 -0.662 . . . . 10.0 112.203 -179.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -105.94 -74.42 0.02 OUTLIER Pre-proline 0 C--N 1.327 -0.4 0 N-CA-C 113.497 0.925 . . . . 10.0 113.497 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -54.66 -49.53 16.48 Favored 'Trans proline' 0 C--N 1.357 0.998 0 C-N-CA 122.324 2.016 . . . . 10.0 113.817 -179.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 367' ' ' ALA . . . . . . . . . . . . . . . -66.87 -56.95 8.05 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.262 0.468 . . . . 10.0 112.262 -179.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 18.3 mt -55.81 -43.14 76.62 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 112.405 0.52 . . . . 10.0 112.405 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -60.69 -51.3 69.94 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.639 -0.504 . . . . 10.0 109.639 179.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.52 -39.35 90.7 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.979 -0.555 . . . . 10.0 111.325 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 71.7 mt -61.83 -49.07 77.77 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.961 -0.563 . . . . 10.0 109.9 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -64.24 -36.15 83.15 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.158 -0.473 . . . . 10.0 110.607 179.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -65.86 -19.19 65.79 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 121.062 0.458 . . . . 10.0 110.472 178.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -97.75 -32.4 6.26 Favored Glycine 0 N--CA 1.447 -0.609 0 N-CA-C 110.915 -0.874 . . . . 10.0 110.915 178.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 84.8 mt -68.84 -35.98 77.6 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 111.653 0.242 . . . . 10.0 111.653 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 20.5 mt -56.26 -59.23 12.52 Favored Pre-proline 0 N--CA 1.468 0.466 0 N-CA-C 112.987 0.736 . . . . 10.0 112.987 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -60.46 -32.82 94.22 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 121.918 1.746 . . . . 10.0 111.029 178.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 25.2 t -67.38 -40.12 84.05 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 N-CA-C 109.586 -0.524 . . . . 10.0 109.586 178.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 20.7 mt -62.54 -40.52 97.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.979 -0.555 . . . . 10.0 109.847 178.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -61.46 -43.33 99.05 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 109.323 -0.621 . . . . 10.0 109.323 178.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 12.3 m -64.65 -38.81 92.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.733 -0.667 . . . . 10.0 109.684 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -68.11 -35.77 78.67 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.809 -0.632 . . . . 10.0 110.586 178.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -59.5 -47.71 84.47 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 109.354 -0.61 . . . . 10.0 109.354 178.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 34.7 t -60.71 -48.16 89.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.66 -0.7 . . . . 10.0 109.337 178.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 15.3 m -57.83 -41.3 82.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.732 -0.667 . . . . 10.0 110.852 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -64.24 -44.19 92.61 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.424 179.079 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 94.8 mt -58.29 -50.41 73.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.479 -0.782 . . . . 10.0 110.775 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 2.0 p -67.21 -38.26 84.99 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 116.21 -0.45 . . . . 10.0 111.475 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -63.2 -48.17 79.46 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 120.598 0.237 . . . . 10.0 110.9 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 54.8 mt -60.56 -43.29 97.44 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.247 -0.433 . . . . 10.0 109.935 179.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -61.86 -50.09 73.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.525 -0.761 . . . . 10.0 110.623 179.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -54.45 -56.08 22.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.109 -0.496 . . . . 10.0 111.945 -179.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -57.21 -43.35 82.67 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.586 0.587 . . . . 10.0 112.586 -179.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 10.9 m -73.36 -29.74 62.85 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.467 0.543 . . . . 10.0 112.467 -179.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 41.1 mtmt -70.53 -36.63 73.83 Favored 'General case' 0 N--CA 1.464 0.228 0 O-C-N 122.272 -0.268 . . . . 10.0 111.705 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 3.3 mptt -87.71 -46.39 9.53 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.779 0.659 . . . . 10.0 112.779 -179.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 75.4 mt -76.55 -26.16 54.84 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.071 0.767 . . . . 10.0 113.071 -178.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 54.8 t30 . . . . . 0 C--N 1.327 -0.385 0 N-CA-C 112.08 0.4 . . . . 10.0 112.08 -178.959 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 2.9 mm? . . . . . 0 CA--C 1.523 -0.075 0 CA-C-O 121.517 0.675 . . . . 10.0 110.467 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -86.37 19.15 2.87 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.407 -0.815 . . . . 10.0 110.221 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 22.6 mt -61.59 -48.91 78.81 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.242 -0.89 . . . . 10.0 110.971 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 91.5 mt -66.95 -34.18 77.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.793 0.33 . . . . 10.0 111.126 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -62.33 -49.96 73.54 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.568 -0.53 . . . . 10.0 109.568 179.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -68.74 -40.95 79.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.424 -0.807 . . . . 10.0 110.235 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 12.6 t90 -55.57 -42.23 74.41 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.672 -0.695 . . . . 10.0 110.427 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -61.07 -50.29 73.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.052 -0.522 . . . . 10.0 111.161 179.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 19.6 m -60.53 -41.39 94.37 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.463 -0.335 . . . . 10.0 111.187 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 88.5 t -65.26 -45.8 92.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.814 0.34 . . . . 10.0 110.377 179.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 20.5 m -64.25 -34.25 77.68 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.914 -0.402 . . . . 10.0 109.914 179.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 68.7 m -67.62 -27.22 66.71 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.466 -0.568 . . . . 10.0 109.466 178.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 24.1 m -69.72 -35.81 75.35 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.385 -0.969 . . . . 10.0 108.385 177.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -66.26 -35.93 81.68 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 108.929 -0.767 . . . . 10.0 108.929 178.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 3.4 m -64.3 -38.78 92.26 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 108.608 -0.886 . . . . 10.0 108.608 177.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 47.0 mmtt -64.58 -34.19 77.68 Favored 'General case' 0 CA--C 1.522 -0.117 0 CA-C-N 115.912 -0.585 . . . . 10.0 109.474 178.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 76.4 mt -65.98 -39.57 90.47 Favored 'General case' 0 N--CA 1.453 -0.325 0 N-CA-C 108.913 -0.773 . . . . 10.0 108.913 178.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 36.4 mtt180 -69.26 -34.15 74.33 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.72 -0.673 . . . . 10.0 110.136 178.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -62.41 -29.65 70.65 Favored 'General case' 0 C--O 1.227 -0.103 0 N-CA-C 109.306 -0.627 . . . . 10.0 109.306 177.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -83.45 -52.96 6.06 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.734 -0.839 . . . . 10.0 108.734 178.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 87.5 mt -44.81 -47.94 10.98 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 115.28 -0.873 . . . . 10.0 112.87 -179.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -50.41 -79.16 0.08 OUTLIER Glycine 0 CA--C 1.523 0.535 0 C-N-CA 121.126 -0.559 . . . . 10.0 113.326 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -57.3 -39.84 86.8 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.872 2.381 . . . . 10.0 112.649 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 37.2 t -60.02 -50.68 79.23 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.198 0 N-CA-C 112.434 0.531 . . . . 10.0 112.434 -179.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 59.9 p -65.98 -30.49 71.05 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 120.51 -0.476 . . . . 10.0 111.74 -179.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -59.84 -45.32 92.79 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 120.963 0.411 . . . . 10.0 110.293 179.115 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -86.62 -21.67 26.63 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.791 178.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -64.81 -41.36 95.84 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.58 -0.896 . . . . 10.0 108.58 178.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 21.1 m0 -69.73 -37.3 76.45 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.792 -0.818 . . . . 10.0 108.792 178.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -63.41 -38.89 92.91 Favored 'General case' 0 CA--C 1.519 -0.227 0 N-CA-C 108.683 -0.858 . . . . 10.0 108.683 178.259 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -66.56 -48.34 69.96 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.327 -0.851 . . . . 10.0 109.197 178.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 58.0 mt -56.18 -50.54 70.9 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.395 179.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -59.48 -44.38 93.05 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.077 -0.511 . . . . 10.0 109.819 179.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.15 -46.73 85.15 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.806 -0.634 . . . . 10.0 110.229 178.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -60.9 -53.7 54.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.45 -0.795 . . . . 10.0 110.47 179.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 6.0 p -59.22 -38.8 80.82 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-N 116.475 -0.33 . . . . 10.0 111.591 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -65.5 -43.89 88.74 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 116.821 -0.172 . . . . 10.0 110.837 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -67.16 -39.64 92.58 Favored Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 110.611 -0.996 . . . . 10.0 110.611 178.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 94.0 mt -68.62 -28.17 66.67 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-O 120.738 0.304 . . . . 10.0 110.942 179.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 43.9 mtt180 -66.91 -25.13 66.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.575 -0.284 . . . . 10.0 111.189 179.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -70.84 -48.06 55.99 Favored 'General case' 0 C--O 1.232 0.169 0 N-CA-C 109.559 -0.534 . . . . 10.0 109.559 178.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.98 -26.11 60.28 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.242 178.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 5.8 mmm -71.22 -44.6 65.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.914 -0.585 . . . . 10.0 111.8 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 10.8 p -61.91 -45.34 94.16 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.32 -0.622 . . . . 10.0 109.32 179.367 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 4.3 mtpp -65.35 -39.47 92.38 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.472 -0.786 . . . . 10.0 109.994 178.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -61.0 -51.96 67.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.399 179.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 73.6 mt -60.18 -50.3 74.23 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.28 0.474 . . . . 10.0 112.28 -179.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -63.98 -41.03 97.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.644 0.259 . . . . 10.0 111.166 -179.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 447' ' ' GLU . . . . . 0.412 ' CB ' HH21 ' A' ' 330' ' ' ARG . 20.2 mt-10 -66.11 -38.02 87.17 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 109.755 -0.461 . . . . 10.0 109.755 178.635 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 2.3 t -58.31 -44.3 87.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.014 -0.539 . . . . 10.0 109.608 178.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -65.81 -31.06 71.81 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.068 -0.515 . . . . 10.0 110.885 179.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -89.72 -8.22 52.81 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.609 0.596 . . . . 10.0 112.609 -179.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 54.2 mttm -114.02 -44.61 3.13 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.042 0.386 . . . . 10.0 112.042 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 55.9 t -62.63 -38.91 82.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.496 -0.32 . . . . 10.0 111.155 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -58.8 -60.16 11.35 Favored Pre-proline 0 C--N 1.33 -0.262 0 N-CA-C 112.485 0.55 . . . . 10.0 112.485 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -63.85 -25.7 67.6 Favored 'Trans proline' 0 C--N 1.353 0.814 0 C-N-CA 121.965 1.777 . . . . 10.0 111.435 178.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -72.59 -40.02 66.89 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.027 -0.731 . . . . 10.0 109.027 178.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 34.2 mt -66.99 -35.5 80.09 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 109.083 -0.71 . . . . 10.0 109.083 178.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -69.7 -41.62 75.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.374 -0.83 . . . . 10.0 109.339 178.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -62.4 -44.62 96.02 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 108.544 -0.909 . . . . 10.0 108.544 177.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 1.2 m-30 -64.7 -40.84 96.06 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.322 -0.854 . . . . 10.0 109.966 178.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -58.45 -40.61 83.09 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.317 179.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 51.9 mttt -68.42 -42.89 78.27 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.302 179.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 2.1 ttmm -65.44 -45.34 84.2 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.892 -0.595 . . . . 10.0 110.345 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 50.1 m0 -68.45 -30.1 68.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.019 178.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -65.73 -49.12 69.61 Favored 'General case' 0 CA--C 1.514 -0.419 0 N-CA-C 108.272 -1.01 . . . . 10.0 108.272 178.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 465' ' ' GLU . . . . . . . . . . . . . 77.5 mt-10 -61.89 -44.95 95.76 Favored 'General case' 0 C--O 1.223 -0.342 0 N-CA-C 108.449 -0.945 . . . . 10.0 108.449 177.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 31.1 tp10 -54.26 -47.84 71.84 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.478 -0.783 . . . . 10.0 110.196 179.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 66.9 mtm -65.72 -42.7 90.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.048 -0.524 . . . . 10.0 110.398 179.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -61.84 -38.27 87.58 Favored 'General case' 0 C--N 1.334 -0.075 0 N-CA-C 109.487 -0.56 . . . . 10.0 109.487 178.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 469' ' ' LEU . . . . . . . . . . . . . 77.2 mt -61.25 -40.51 94.34 Favored 'General case' 0 C--O 1.218 -0.574 0 N-CA-C 109.351 -0.611 . . . . 10.0 109.351 178.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 23.4 m-30 -65.17 -32.06 73.56 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.588 179.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -71.98 -27.22 62.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 10.0 110.011 178.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -103.39 4.66 36.48 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.01 -0.541 . . . . 10.0 111.294 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 473' ' ' LYS . . . . . . . . . . . . . 82.3 mttt -131.57 -73.29 0.53 Allowed 'General case' 0 C--O 1.221 -0.402 0 CA-C-N 116.473 -0.331 . . . . 10.0 110.681 179.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 95.5 t -52.07 -44.55 39.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.445 -0.343 . . . . 10.0 111.736 -179.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -59.68 -61.53 7.7 Favored Pre-proline 0 CA--C 1.537 0.468 0 N-CA-C 112.786 0.661 . . . . 10.0 112.786 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -64.23 -36.23 47.56 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 121.592 1.528 . . . . 10.0 112.049 178.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 65.4 mt -65.67 -37.1 85.56 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 110.103 -0.332 . . . . 10.0 110.103 179.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -63.32 -33.18 74.96 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 109.573 -0.528 . . . . 10.0 109.573 178.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -74.02 -46.59 42.56 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.868 -0.605 . . . . 10.0 109.485 179.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.79 -44.46 96.79 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.4 0.619 . . . . 10.0 109.772 178.71 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 63.4 mt -68.13 -33.34 74.31 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.656 -0.702 . . . . 10.0 110.46 179.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -67.5 -45.42 75.86 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.319 -0.623 . . . . 10.0 109.319 178.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -64.88 -44.18 90.51 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.805 -0.634 . . . . 10.0 109.382 178.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -64.54 -34.33 89.61 Favored Glycine 0 N--CA 1.45 -0.425 0 N-CA-C 111.212 -0.755 . . . . 10.0 111.212 178.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -68.73 -39.5 80.37 Favored 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 109.291 -0.633 . . . . 10.0 109.291 178.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 83.8 mtt180 -63.65 -36.84 85.17 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 108.883 -0.784 . . . . 10.0 108.883 178.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -67.43 -43.41 81.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.481 -0.781 . . . . 10.0 108.935 177.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -62.96 -39.79 95.73 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.805 -0.634 . . . . 10.0 109.597 178.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 84.2 mt -66.16 -38.34 87.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.702 -0.681 . . . . 10.0 109.266 178.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 9.0 t-160 -63.38 -42.85 98.86 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 108.775 -0.824 . . . . 10.0 108.775 178.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -58.79 -44.52 90.73 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 108.841 -0.8 . . . . 10.0 108.841 178.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 92.0 mt -64.59 -42.91 95.28 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.31 -0.859 . . . . 10.0 110.66 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -59.95 -38.62 83.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.002 0.43 . . . . 10.0 110.827 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 -75.27 -0.98 21.41 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 115.88 -0.6 . . . . 10.0 111.189 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 495' ' ' LYS . . . . . . . . . . . . . 18.9 mttp -116.7 -43.17 2.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.761 0.315 . . . . 10.0 110.724 179.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 78.1 mt -65.04 -20.07 66.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.257 -0.428 . . . . 10.0 111.601 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 497' ' ' SER . . . . . . . . . . . . . 7.9 m -83.28 -67.08 0.2 Allowed Pre-proline 0 C--N 1.326 -0.429 0 N-CA-C 111.847 0.314 . . . . 10.0 111.847 179.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 498' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -65.57 -51.01 1.53 Allowed 'Trans proline' 0 C--N 1.357 1.002 0 C-N-CA 121.6 1.533 . . . . 10.0 112.136 179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 499' ' ' LEU . . . . . . . . . . . . . 58.1 mt -70.05 -28.85 65.8 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 109.9 -0.408 . . . . 10.0 109.9 179.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -65.21 -53.1 35.09 Favored Glycine 0 N--CA 1.445 -0.749 0 N-CA-C 110.53 -1.028 . . . . 10.0 110.53 178.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -63.9 -35.77 81.74 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.899 -0.408 . . . . 10.0 109.899 179.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 502' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -63.74 -47.16 82.16 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.787 -0.642 . . . . 10.0 109.69 178.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 79.2 mmm -62.51 -37.02 84.42 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 178.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 77.3 mtt180 -66.16 -42.5 88.91 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.243 -0.651 . . . . 10.0 109.243 178.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -66.89 -37.52 84.53 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.87 -0.605 . . . . 10.0 109.87 179.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 506' ' ' ARG . . . . . . . . . . . . . 60.6 mtt180 -59.82 -48.12 82.98 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 107.871 -1.159 . . . . 10.0 107.871 177.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -63.72 -35.73 81.53 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.027 -0.988 . . . . 10.0 110.243 179.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 508' ' ' ARG . . . . . . . . . . . . . 48.6 mtt180 -61.3 -48.89 79.31 Favored 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 108.693 -0.854 . . . . 10.0 108.693 178.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -64.69 -37.08 86.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.413 179.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -62.66 -53.73 50.08 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.377 179.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 62.0 t -66.79 -35.16 74.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.688 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -60.66 -44.0 96.95 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.194 -0.669 . . . . 10.0 109.194 178.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -70.63 -43.45 69.24 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.351 -0.841 . . . . 10.0 109.66 178.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 514' ' ' LEU . . . . . . . . . . . . . 74.1 mt -59.03 -34.5 71.98 Favored 'General case' 0 C--O 1.225 -0.191 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.375 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 515' ' ' ARG . . . . . . . . . . . . . 6.3 mtm105 -66.88 -20.77 65.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.402 0.62 . . . . 10.0 110.135 178.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.89 11.33 22.34 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.631 -0.713 . . . . 10.0 109.29 179.037 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 17.5 m170 -118.67 -59.6 1.85 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.415 -0.811 . . . . 10.0 110.181 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 69.0 mt -72.93 -50.57 22.79 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.748 -0.66 . . . . 10.0 111.977 -178.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 519' ' ' ALA . . . . . . . . . . . . . . . -54.81 -57.46 19.15 Favored Pre-proline 0 C--N 1.329 -0.293 0 N-CA-C 112.156 0.428 . . . . 10.0 112.156 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 520' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -60.23 -33.63 94.6 Favored 'Trans proline' 0 C--N 1.357 1.002 0 C-N-CA 122.115 1.877 . . . . 10.0 111.456 178.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -70.6 -36.11 73.35 Favored 'General case' 0 CA--C 1.518 -0.262 0 C-N-CA 120.783 -0.367 . . . . 10.0 110.202 179.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 49.2 m -65.97 -30.12 70.63 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.137 -0.69 . . . . 10.0 109.137 178.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.24 -41.41 90.04 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.648 -0.871 . . . . 10.0 108.648 178.392 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -72.58 -33.46 66.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.44 -0.8 . . . . 10.0 109.386 178.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 53.9 mt -65.6 -33.97 77.14 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 115.587 -0.733 . . . . 10.0 109.224 177.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 526' ' ' ARG . . . . . . . . . . . . . 52.4 mtt180 -62.87 -33.8 76.03 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.311 178.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -70.56 -43.94 68.44 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.106 -0.701 . . . . 10.0 109.106 178.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 528' ' ' ARG . . . . . . . . . . . . . 62.2 mtt180 -65.7 -40.09 91.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.529 -0.76 . . . . 10.0 109.507 179.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 23.0 mt -65.62 -38.84 90.57 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.631 -0.713 . . . . 10.0 109.858 178.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -60.94 -45.42 94.77 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.802 -0.444 . . . . 10.0 109.802 179.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -68.19 -42.68 79.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.963 -0.562 . . . . 10.0 109.957 178.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 34.7 ttm180 -60.4 -49.37 77.86 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.746 -0.661 . . . . 10.0 109.986 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 82.9 mt -65.32 -36.81 85.2 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.388 179.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -59.48 -47.36 85.81 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.889 -0.782 . . . . 10.0 108.889 179.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -65.89 -45.6 81.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.691 -0.686 . . . . 10.0 110.509 178.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 69.3 mt -59.64 -40.32 87.27 Favored 'General case' 0 C--O 1.226 -0.152 0 CA-C-N 116.372 -0.376 . . . . 10.0 111.529 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 19.1 mtmt -72.57 -39.36 67.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.759 0.314 . . . . 10.0 110.406 179.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -64.96 -54.45 30.35 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.497 179.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -67.94 -33.1 74.03 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.438 -0.578 . . . . 10.0 109.438 179.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -63.27 -45.79 94.4 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 111.33 -0.708 . . . . 10.0 111.33 179.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -60.01 -42.46 98.38 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.671 -0.776 . . . . 10.0 111.194 179.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -66.75 -49.72 65.04 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.733 -0.469 . . . . 10.0 109.733 178.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 49.2 mtt85 -58.05 -37.24 74.04 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.922 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 74.2 mt -62.29 -47.44 84.28 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.937 -0.394 . . . . 10.0 109.937 178.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -63.27 -43.71 97.18 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.869 -0.605 . . . . 10.0 109.728 179.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -63.75 -46.67 84.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.396 179.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -60.16 -43.97 95.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.453 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -64.24 -42.88 96.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.94 -0.573 . . . . 10.0 109.782 178.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -61.52 -47.78 84.02 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.579 -0.526 . . . . 10.0 109.579 178.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.17 -37.16 84.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.787 -0.642 . . . . 10.0 109.86 179.029 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -66.73 -34.3 77.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.193 178.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 5.7 m -69.5 -39.2 77.76 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.352 -0.61 . . . . 10.0 109.352 178.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -68.01 -43.63 78.39 Favored 'General case' 0 C--O 1.231 0.128 0 N-CA-C 108.391 -0.966 . . . . 10.0 108.391 177.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 15.8 t60 -60.9 -39.26 88.65 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.08 -0.964 . . . . 10.0 109.097 179.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 42.4 tp -62.57 -41.32 98.85 Favored 'General case' 0 CA--C 1.521 -0.138 0 CA-C-N 115.55 -0.75 . . . . 10.0 109.934 178.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 68.8 m -63.16 -43.28 98.75 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.275 -0.639 . . . . 10.0 109.275 178.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 6.3 m -64.2 -38.26 90.41 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.983 -0.553 . . . . 10.0 109.533 178.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 92.4 mt -58.29 -53.36 59.13 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 115.896 -0.593 . . . . 10.0 109.96 179.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.86 -39.51 83.75 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 123.226 0.329 . . . . 10.0 110.898 -179.705 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -59.96 -30.1 68.87 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 115.757 -0.656 . . . . 10.0 111.381 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.16 -37.44 9.31 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 111.72 0.267 . . . . 10.0 111.72 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -62.75 -42.9 99.89 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 112.714 0.635 . . . . 10.0 112.714 -179.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -54.61 -61.36 5.78 Favored Pre-proline 0 C--O 1.236 0.39 0 N-CA-C 112.136 0.421 . . . . 10.0 112.136 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -64.64 -35.27 48.05 Favored 'Trans proline' 0 C--N 1.358 1.047 0 C-N-CA 121.854 1.703 . . . . 10.0 111.88 179.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -62.2 -50.92 69.86 Favored 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 110.145 -0.317 . . . . 10.0 110.145 179.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 81.0 mt -63.32 -40.68 98.01 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 110.022 -0.362 . . . . 10.0 110.022 179.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.87 -53.38 58.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.14 0.495 . . . . 10.0 110.049 178.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -65.19 -35.99 82.8 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.715 -0.675 . . . . 10.0 111.084 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 11.3 mt -61.72 -46.35 90.01 Favored 'General case' 0 C--O 1.221 -0.42 0 N-CA-C 109.402 -0.592 . . . . 10.0 109.402 178.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -65.64 -43.32 89.82 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.472 179.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -70.82 -15.38 62.65 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.38 -0.373 . . . . 10.0 111.092 179.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -98.19 -38.71 3.96 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.854 -0.689 . . . . 10.0 111.664 179.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 65.0 mt -65.53 -34.42 78.21 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.017 -0.091 . . . . 10.0 111.179 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 76.7 mt -54.68 -63.23 3.03 Favored Pre-proline 0 CA--C 1.535 0.388 0 N-CA-C 112.14 0.422 . . . . 10.0 112.14 179.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -62.49 -35.05 73.69 Favored 'Trans proline' 0 C--N 1.356 0.939 0 C-N-CA 121.677 1.585 . . . . 10.0 111.476 179.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 20.7 t -63.28 -45.97 96.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.442 -0.344 . . . . 10.0 110.274 179.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 55.5 mt -62.37 -42.02 99.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.517 -0.31 . . . . 10.0 110.208 179.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -62.86 -44.7 95.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 10.0 109.817 179.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 45.2 m -63.64 -39.89 95.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.895 -0.593 . . . . 10.0 109.813 178.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -63.83 -35.82 81.87 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 115.826 -0.625 . . . . 10.0 110.625 179.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -65.26 -40.91 94.57 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.728 -0.471 . . . . 10.0 109.728 178.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 90.7 t -61.34 -43.18 96.14 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.292 179.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.84 -39.56 69.67 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.126 179.754 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -67.53 -45.93 74.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.696 -0.229 . . . . 10.0 111.156 179.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 13.0 mt -57.04 -46.23 82.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.464 -0.335 . . . . 10.0 110.649 179.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 8.7 p -69.97 -38.61 76.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.219 -0.446 . . . . 10.0 111.13 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -63.94 -55.66 20.92 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.342 -0.39 . . . . 10.0 110.613 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 88.0 mt -60.53 -38.11 83.37 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 123.238 0.336 . . . . 10.0 111.84 -179.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -66.4 -54.48 23.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.955 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -64.65 -32.88 74.73 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.103 -0.498 . . . . 10.0 111.755 -179.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -63.99 -41.25 97.56 Favored 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 109.745 -0.465 . . . . 10.0 109.745 178.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 46.5 m -67.27 -29.34 68.92 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.192 0.52 . . . . 10.0 110.23 179.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -74.33 -48.38 28.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.977 -0.556 . . . . 10.0 111.256 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -73.85 -34.23 64.42 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.254 -0.43 . . . . 10.0 111.941 -179.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 36.4 mt -106.25 54.65 0.68 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.041 0.448 . . . . 10.0 110.298 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 . . . . . 0 C--N 1.323 -0.583 0 CA-C-N 115.98 -0.555 . . . . 10.0 111.24 -179.661 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 2.3 m . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.864 0.364 . . . . 10.0 110.38 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -94.42 124.29 38.35 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.523 -0.308 . . . . 10.0 110.785 -179.652 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -89.99 138.76 31.23 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.015 -0.735 . . . . 10.0 109.015 178.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -129.36 117.71 21.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 123.239 0.337 . . . . 10.0 110.595 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 31.8 mttm -81.95 106.9 14.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.114 0.483 . . . . 10.0 110.879 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 12.4 mt -110.11 121.84 46.2 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.634 -0.712 . . . . 10.0 110.621 -179.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 49.0 t -109.81 124.77 66.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 120.715 0.293 . . . . 10.0 110.564 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 22.4 t -88.29 121.22 38.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.141 -0.689 . . . . 10.0 109.141 179.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 31.7 m -122.52 156.77 27.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.292 -0.413 . . . . 10.0 111.176 -178.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 147.59 177.43 22.02 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.854 -0.688 . . . . 10.0 112.039 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.81 -175.21 0.85 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.392 0.615 . . . . 10.0 112.054 -179.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -92.19 146.69 23.52 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.85 -0.614 . . . . 10.0 111.649 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 65.51 25.64 71.53 Favored Glycine 0 CA--C 1.523 0.565 0 CA-C-N 115.497 -0.774 . . . . 10.0 113.953 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 27.8 m -95.27 -22.16 5.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 117.338 0.569 . . . . 10.0 112.067 -179.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 121.28 13.64 5.25 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.838 -0.696 . . . . 10.0 113.197 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 24.3 mtmm -59.95 -47.32 86.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.082 0.468 . . . . 10.0 111.182 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.24 -39.41 68.49 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.015 -179.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.61 -55.18 37.68 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.942 -0.572 . . . . 10.0 112.177 -179.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 38.5 mt -57.97 -47.88 81.64 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.015 0.376 . . . . 10.0 112.015 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 19.4 m -61.68 -47.16 86.59 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.62 -179.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 87.6 mt -65.21 -32.36 57.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.813 0.34 . . . . 10.0 110.83 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -66.12 -32.69 74.29 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-O 121.052 0.454 . . . . 10.0 110.508 179.081 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 13.4 tp -77.95 -31.73 51.05 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.786 -0.366 . . . . 10.0 111.303 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 34.8 mm -89.6 -61.39 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 112.786 0.661 . . . . 10.0 112.786 -178.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -85.12 -13.94 48.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.758 0.313 . . . . 10.0 111.799 -178.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 60.79 45.69 9.67 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 112.935 0.717 . . . . 10.0 112.935 178.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -150.5 157.88 43.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.54 -0.3 . . . . 10.0 110.942 179.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -91.94 120.84 32.98 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.619 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -84.26 122.89 38.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.425 -0.352 . . . . 10.0 110.285 179.392 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -86.83 -33.35 19.87 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.345 -179.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -84.93 148.53 26.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.28 -0.418 . . . . 10.0 110.076 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -93.36 127.34 38.93 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.904 0.383 . . . . 10.0 110.581 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -119.78 111.55 35.86 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.393 -0.367 . . . . 10.0 111.149 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -65.54 107.63 1.07 Allowed 'Trans proline' 0 N--CA 1.463 -0.272 0 C-N-CA 122.718 2.278 . . . . 10.0 109.648 178.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 1.3 m -84.46 135.91 34.06 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.333 -0.394 . . . . 10.0 111.861 -178.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 20.9 mm -95.38 -52.74 9.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 107.652 -1.24 . . . . 10.0 107.652 178.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -174.66 95.73 0.08 Allowed 'General case' 0 C--O 1.234 0.255 0 CA-C-N 114.7 -1.136 . . . . 10.0 108.979 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -114.45 148.76 37.3 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.655 -0.248 . . . . 10.0 110.502 -178.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -129.23 135.58 48.99 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.827 0.346 . . . . 10.0 111.638 -179.251 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -130.61 138.29 50.04 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.231 -0.44 . . . . 10.0 111.148 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -116.51 134.7 54.54 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.236 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 56.5 tttp -149.6 126.14 10.94 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.169 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -95.98 121.16 37.43 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.839 -0.619 . . . . 10.0 109.517 179.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -137.25 161.75 34.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.848 0.356 . . . . 10.0 110.852 -179.288 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 15.8 t -99.94 96.68 5.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.242 179.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 68.2 mt -104.14 123.99 58.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.556 -0.747 . . . . 10.0 110.58 -178.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 59.93 20.63 9.63 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.865 -0.607 . . . . 10.0 112.072 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.89 0.17 66.54 Favored Glycine 0 N--CA 1.454 -0.158 0 C-N-CA 121.022 -0.609 . . . . 10.0 112.644 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -108.77 136.99 47.43 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.661 0.267 . . . . 10.0 110.807 -179.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 1.8 m -79.85 103.39 9.72 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.341 -0.985 . . . . 10.0 108.341 178.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 15.2 m -108.09 135.46 49.41 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 112.256 0.465 . . . . 10.0 112.256 -178.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 41.4 tp -99.72 108.32 20.62 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 107.651 -1.241 . . . . 10.0 107.651 178.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 26.5 mt -82.58 124.41 30.12 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.89 0.7 . . . . 10.0 112.89 -177.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -108.43 85.7 2.16 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 106.902 -1.518 . . . . 10.0 106.902 177.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 19.5 mt -92.2 139.09 18.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 113.131 0.789 . . . . 10.0 113.131 -177.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 16.3 tp -125.5 117.85 24.52 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.297 -0.865 . . . . 10.0 110.096 178.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -93.78 110.92 22.54 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 108.899 -0.778 . . . . 10.0 108.899 179.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 69.9 p -90.64 -173.25 3.68 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.572 0.582 . . . . 10.0 112.572 -178.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -99.82 155.3 17.72 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.854 -0.612 . . . . 10.0 111.215 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -115.85 11.78 17.94 Favored Glycine 0 N--CA 1.444 -0.816 0 N-CA-C 111.158 -0.777 . . . . 10.0 111.158 179.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -89.17 7.89 32.92 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.529 -0.336 . . . . 10.0 111.222 -179.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.433 ' C ' ' H ' ' B' ' 64' ' ' TYR . 13.9 mm-40 59.81 -139.0 0.67 Allowed 'General case' 0 C--N 1.331 -0.236 0 O-C-N 123.571 0.545 . . . . 10.0 111.141 -179.21 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 73.51 -37.58 0.38 Allowed 'General case' 0 N--CA 1.467 0.394 0 O-C-N 123.401 0.438 . . . . 10.0 111.678 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' TYR . . . . . 0.433 ' H ' ' C ' ' B' ' 62' ' ' GLU . 31.2 m-85 -78.78 73.59 5.33 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.129 0.49 . . . . 10.0 111.623 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.61 -15.4 52.31 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.082 -0.508 . . . . 10.0 111.038 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -120.49 -33.18 3.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.049 -0.523 . . . . 10.0 111.842 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 28.8 ttp -67.7 -26.26 66.09 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.742 0.306 . . . . 10.0 111.378 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -59.05 -36.46 75.06 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.906 -0.588 . . . . 10.0 111.422 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -56.37 -35.11 67.31 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.68 -0.691 . . . . 10.0 111.903 -179.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -59.27 -58.18 9.77 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.244 0.461 . . . . 10.0 112.244 -178.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -72.68 -24.89 61.08 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.88 0.696 . . . . 10.0 112.88 -178.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 36.2 mtt -70.29 -35.9 74.0 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.939 0.4 . . . . 10.0 111.03 179.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -80.83 -19.97 43.46 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.129 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 4.2 m -94.36 -42.6 8.81 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.492 0.553 . . . . 10.0 112.492 -179.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -67.75 140.47 36.68 Favored Glycine 0 C--N 1.333 0.399 0 C-N-CA 121.128 -0.558 . . . . 10.0 113.437 -179.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -91.14 -47.6 7.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.697 0.284 . . . . 10.0 110.543 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -113.67 137.94 14.53 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.921 -0.657 . . . . 10.0 111.728 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -112.92 122.8 48.71 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.286 0.565 . . . . 10.0 111.55 -179.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 17.7 tp -95.47 104.08 15.97 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.529 -0.76 . . . . 10.0 110.086 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.7 97.81 7.44 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.035 -0.529 . . . . 10.0 109.895 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 90.9 t -104.87 121.52 56.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.043 0.449 . . . . 10.0 110.921 -179.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 20.6 p90 -135.26 157.83 45.91 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.59 179.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -96.83 136.4 37.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.04 179.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 35.0 pt -75.44 -12.17 14.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 112.369 0.507 . . . . 10.0 112.369 -179.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 22.5 p-10 -94.19 4.03 54.45 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.848 0.356 . . . . 10.0 111.118 179.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -137.94 107.09 6.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.821 179.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 1.6 m -61.91 -29.75 70.43 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.962 -0.563 . . . . 10.0 111.802 -179.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -55.7 -47.78 76.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.449 -0.342 . . . . 10.0 111.098 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.03 -33.56 73.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 10.0 111.488 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -67.68 -47.82 68.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.258 -0.428 . . . . 10.0 111.004 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -70.01 -31.98 69.91 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.241 -0.436 . . . . 10.0 110.743 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -61.77 -27.07 68.48 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.945 -0.57 . . . . 10.0 111.446 179.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 47.4 mm -57.11 -38.77 62.55 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-N 116.508 -0.315 . . . . 10.0 110.994 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -64.3 -46.5 83.3 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.543 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -61.28 -44.34 97.39 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.262 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -63.4 -45.61 90.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.532 178.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 4.7 tmt_? -58.56 -50.08 75.08 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.956 -0.565 . . . . 10.0 111.918 -178.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 -62.0 -34.6 76.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.691 0.281 . . . . 10.0 111.386 -179.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -68.29 -41.86 80.32 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.471 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 96.7 mt -58.07 -45.77 88.27 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.585 179.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 38.4 mtmt -62.06 -32.85 73.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.297 -0.411 . . . . 10.0 110.954 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 13.2 ttm180 -76.63 -43.46 38.17 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.118 -0.492 . . . . 10.0 111.692 -179.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 99.9 t -70.29 -46.98 69.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.965 0.412 . . . . 10.0 111.939 -179.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -80.93 -16.03 54.66 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.487 -0.324 . . . . 10.0 111.858 -179.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 2.9 t70 57.54 60.77 2.71 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.685 0.755 . . . . 10.0 111.259 -179.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 8.4 t -157.44 145.65 19.19 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.424 -0.807 . . . . 10.0 110.133 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -96.01 -25.89 15.75 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.247 0.546 . . . . 10.0 110.071 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.87 79.84 1.38 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.773 -0.649 . . . . 10.0 110.823 -179.301 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -110.36 133.33 21.13 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 116.205 -0.452 . . . . 10.0 111.457 -179.675 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.7 124.22 12.87 Favored 'Trans proline' 0 C--O 1.236 0.384 0 C-N-CA 122.839 2.359 . . . . 10.0 111.987 179.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 16.7 mtm -151.13 153.21 34.58 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.524 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 85.3 t -135.77 126.93 44.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.002 -0.545 . . . . 10.0 109.804 179.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 19.2 tp -85.94 115.59 23.65 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.009 0.433 . . . . 10.0 110.103 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 57.2 t -117.61 125.31 74.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.218 0.532 . . . . 10.0 112.001 -178.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -105.28 119.72 6.26 Favored Glycine 0 N--CA 1.445 -0.745 0 N-CA-C 110.429 -1.069 . . . . 10.0 110.429 178.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -102.47 166.82 10.33 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.63 0.215 . . . . 10.0 111.146 -179.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 91.7 mttt 65.51 32.29 9.54 Favored 'General case' 0 N--CA 1.463 0.189 0 O-C-N 123.746 0.654 . . . . 10.0 111.273 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 54.5 m -69.27 -14.02 62.72 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.866 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -84.13 -3.73 58.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.372 -0.376 . . . . 10.0 110.915 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 8.9 mt -92.51 130.48 37.11 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.052 179.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -75.58 175.02 11.83 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.921 2.414 . . . . 10.0 111.474 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 19.8 m 58.77 52.85 6.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.079 -0.509 . . . . 10.0 110.959 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 -69.56 137.23 52.23 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.055 -0.52 . . . . 10.0 111.243 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.03 -30.92 17.43 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.137 0.494 . . . . 10.0 109.757 179.157 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 48.1 t -100.53 117.85 46.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.891 -0.595 . . . . 10.0 109.511 179.143 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -75.1 142.79 43.62 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.175 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -56.83 -50.73 71.52 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.658 -179.545 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 15.5 pttm -63.55 -33.56 75.86 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 113.509 0.929 . . . . 10.0 113.509 -177.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -68.19 -27.55 66.49 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.302 -0.559 . . . . 10.0 110.93 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -88.1 -32.8 18.51 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.42 -0.585 . . . . 10.0 109.42 178.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -63.43 -52.46 61.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.267 -0.878 . . . . 10.0 112.015 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -62.52 -35.42 79.33 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.957 0.408 . . . . 10.0 110.939 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 27.7 tp -62.06 -46.03 90.94 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.02 179.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.82 -36.18 82.78 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 115.888 -0.596 . . . . 10.0 110.075 179.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? -62.26 -37.33 85.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.839 -0.619 . . . . 10.0 110.351 179.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 13.0 t -69.67 -12.2 61.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 10.0 111.453 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -106.33 -28.44 10.38 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.788 0.328 . . . . 10.0 110.869 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 101.33 -4.2 54.77 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.722 -0.752 . . . . 10.0 112.627 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 39.2 pt -82.54 152.49 67.0 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-O 120.585 0.231 . . . . 10.0 111.323 -179.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -80.37 156.85 22.4 Favored 'Trans proline' 0 C--O 1.239 0.563 0 C-N-CA 122.763 2.309 . . . . 10.0 111.823 179.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -143.57 131.43 21.53 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 115.901 -0.59 . . . . 10.0 110.463 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 12.2 tt -143.63 142.85 24.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.657 -179.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -78.56 135.37 37.28 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.485 -0.561 . . . . 10.0 109.485 179.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 16.8 p -136.01 143.31 44.69 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.32 0.581 . . . . 10.0 112.373 -178.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 1.7 m -133.48 101.49 5.17 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.127 -1.064 . . . . 10.0 108.127 178.367 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -64.5 -29.8 70.84 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.717 0.636 . . . . 10.0 112.717 -178.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -61.08 -33.79 73.9 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.744 0.307 . . . . 10.0 111.265 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.28 -8.81 24.43 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.922 179.746 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 74.28 -7.97 1.55 Allowed 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 113.408 0.892 . . . . 10.0 113.408 179.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.88 138.07 42.21 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 121.634 -0.666 . . . . 10.0 112.13 -179.77 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 86.96 -29.18 5.17 Favored Glycine 0 CA--C 1.524 0.63 0 C-N-CA 121.125 -0.56 . . . . 10.0 113.777 179.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 36.8 t -55.03 -41.63 60.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 112.105 0.409 . . . . 10.0 112.105 -178.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.31 -53.88 41.89 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.042 0.386 . . . . 10.0 112.042 -179.105 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -62.37 -32.77 73.62 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.731 0.641 . . . . 10.0 112.731 -178.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -56.92 -46.8 81.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.995 0.426 . . . . 10.0 110.421 179.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -74.61 -35.38 62.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.038 -0.528 . . . . 10.0 111.048 179.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -63.57 -44.53 93.85 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.499 179.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 28.7 m -67.44 -33.8 75.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.251 -0.432 . . . . 10.0 110.501 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 44.9 tp -59.22 -45.99 89.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.274 179.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 84.1 t -73.32 -35.62 46.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.227 179.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -57.52 -40.77 79.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.46 -0.791 . . . . 10.0 110.745 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -66.63 -31.25 71.82 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.365 -0.379 . . . . 10.0 111.092 179.269 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 51.9 mt -74.12 -44.88 49.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-O 120.708 0.289 . . . . 10.0 110.638 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 33.9 ttm105 -63.87 -38.35 90.77 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 109.085 -0.709 . . . . 10.0 109.085 179.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 26.4 ttmt . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 115.363 -0.835 . . . . 10.0 109.308 178.463 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 13.8 m . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.782 0.325 . . . . 10.0 110.971 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.99 131.36 38.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.873 -179.712 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -98.62 135.81 39.61 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.288 -0.415 . . . . 10.0 110.734 -179.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -132.53 116.49 16.8 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.56 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -88.19 117.96 27.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.892 0.377 . . . . 10.0 110.265 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 21.2 mt -116.04 132.52 56.63 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.945 -0.571 . . . . 10.0 110.801 -178.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 39.4 t -124.02 130.54 73.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 N-CA-C 110.145 -0.317 . . . . 10.0 110.145 179.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 3.7 m -99.46 118.95 46.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.197 0.522 . . . . 10.0 111.661 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 15.9 m -108.02 150.44 10.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.111 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 157.03 -178.02 33.62 Favored Glycine 0 N--CA 1.445 -0.711 0 N-CA-C 111.124 -0.79 . . . . 10.0 111.124 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.63 -176.47 6.28 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.067 0.46 . . . . 10.0 110.698 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.28 139.65 30.78 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.348 -0.387 . . . . 10.0 110.508 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 91.24 7.89 65.05 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.66 -0.781 . . . . 10.0 112.69 179.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 35.6 m -88.4 -14.33 9.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.851 0.358 . . . . 10.0 110.819 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 95.12 28.14 10.2 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.928 -0.653 . . . . 10.0 112.989 179.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 1.4 mtmt -58.22 -40.85 82.73 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.037 0.384 . . . . 10.0 112.037 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.39 -33.87 42.37 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.606 -0.27 . . . . 10.0 111.412 -179.354 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.18 -43.11 87.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 10.0 111.498 -179.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 95.5 mt -63.02 -34.9 78.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 10.0 111.662 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -76.62 -46.12 27.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.449 -0.341 . . . . 10.0 111.147 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 81.5 mt -61.23 -35.99 69.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 10.0 111.283 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -65.91 -16.47 63.89 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.736 0.303 . . . . 10.0 111.394 179.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 13.6 tp -103.4 -42.33 5.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.981 0.419 . . . . 10.0 110.784 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 49.6 mm -71.44 -52.61 25.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.833 -0.621 . . . . 10.0 112.067 -179.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -110.05 -1.71 17.42 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.109 0.48 . . . . 10.0 112.013 -179.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 56.4 m-80 57.56 45.16 19.85 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 113.397 0.888 . . . . 10.0 113.397 178.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 8.0 p80 -151.25 166.47 30.8 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.559 0.219 . . . . 10.0 111.046 178.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -119.66 144.37 47.21 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.259 -0.428 . . . . 10.0 110.939 -179.042 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 4.3 m -111.4 121.27 63.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.805 -0.634 . . . . 10.0 109.926 179.084 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -77.82 -27.39 50.02 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.249 0.547 . . . . 10.0 110.7 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -80.71 136.76 36.23 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.695 -0.684 . . . . 10.0 110.594 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -65.82 142.67 57.87 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.846 -0.615 . . . . 10.0 110.142 179.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -142.09 101.81 5.76 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-O 120.712 0.291 . . . . 10.0 110.691 179.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -60.03 111.14 0.9 Allowed 'Trans proline' 0 C--O 1.233 0.26 0 C-N-CA 122.894 2.396 . . . . 10.0 111.889 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 1.3 m -93.64 119.06 32.18 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.61 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 49.8 mm -90.0 -49.99 13.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 108.257 -1.016 . . . . 10.0 108.257 178.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -166.34 85.1 0.3 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.088 -0.96 . . . . 10.0 109.958 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -111.15 126.05 54.43 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.07 -0.344 . . . . 10.0 110.07 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -110.29 138.69 46.33 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.025 0.441 . . . . 10.0 111.874 -179.65 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -127.05 140.94 51.93 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.095 -179.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -120.42 131.33 54.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.429 -0.35 . . . . 10.0 110.513 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 55.1 tttp -144.77 126.08 14.79 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.92 0.39 . . . . 10.0 111.486 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -94.3 106.61 18.58 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.883 -0.599 . . . . 10.0 109.937 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 4.4 m -125.05 163.43 25.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 121.009 0.433 . . . . 10.0 111.566 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 34.9 t -98.04 105.79 17.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.071 -0.513 . . . . 10.0 109.644 179.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 25.7 mt -112.07 119.88 61.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.509 -0.314 . . . . 10.0 110.744 -178.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 63.0 20.66 12.44 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.511 -0.768 . . . . 10.0 111.632 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.82 -4.22 75.15 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.818 -0.706 . . . . 10.0 111.99 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -107.86 136.9 46.81 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 110.1 -0.333 . . . . 10.0 110.1 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 4.6 m -72.01 118.53 15.0 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.095 -0.705 . . . . 10.0 109.095 178.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 35.8 m -120.88 124.26 44.54 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.983 -179.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 56.4 tp -95.41 107.22 19.34 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.459 -0.941 . . . . 10.0 108.459 178.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 38.5 mt -83.03 122.18 27.99 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 112.513 0.56 . . . . 10.0 112.513 -178.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -110.57 80.55 1.32 Allowed 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 107.249 -1.389 . . . . 10.0 107.249 177.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 23.8 mt -89.76 138.15 19.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.836 -0.62 . . . . 10.0 112.504 -178.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 32.8 tp -127.38 115.6 19.2 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.992 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -94.85 96.78 9.56 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.011 -0.737 . . . . 10.0 109.011 178.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.84 161.44 17.52 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.995 -0.548 . . . . 10.0 111.502 -179.597 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.34 129.19 40.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.833 -0.621 . . . . 10.0 112.303 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -112.0 32.77 6.12 Favored Glycine 0 N--CA 1.45 -0.405 0 CA-C-N 115.491 -0.777 . . . . 10.0 111.391 179.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.87 25.5 5.91 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.591 -0.304 . . . . 10.0 110.779 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 64.3 -161.14 0.29 Allowed 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.023 -0.535 . . . . 10.0 111.171 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 72.76 -54.98 0.69 Allowed 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.149 0.58 . . . . 10.0 112.369 179.376 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -58.18 92.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.745 0.646 . . . . 10.0 112.745 -179.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 3.8 m -106.67 -25.53 11.73 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.796 -0.638 . . . . 10.0 109.915 179.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.4 -54.68 3.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.252 0.549 . . . . 10.0 111.06 179.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 23.0 ttt -61.7 -33.68 74.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.898 -0.592 . . . . 10.0 111.437 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 68' ' ' ARG . . . . . . . . . . . . . 16.3 ttp180 -63.4 -35.49 80.59 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.181 -0.463 . . . . 10.0 111.223 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -66.94 -38.85 86.93 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.542 -0.754 . . . . 10.0 110.933 -179.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -62.85 -54.56 36.9 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.744 0.646 . . . . 10.0 112.744 -178.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 71' ' ' TYR . . . . . . . . . . . . . 5.4 p90 -65.39 -27.96 68.92 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.653 0.612 . . . . 10.0 112.653 -178.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 46.2 mtt -69.34 -21.91 63.79 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.114 0.483 . . . . 10.0 110.335 179.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 6.1 mtm180 -88.17 -12.38 44.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.971 -0.559 . . . . 10.0 110.017 178.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 2.4 m -101.98 -40.1 7.03 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.137 0.421 . . . . 10.0 112.137 -178.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -70.89 152.67 50.58 Favored Glycine 0 CA--C 1.519 0.3 0 C-N-CA 120.753 -0.737 . . . . 10.0 112.849 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -106.96 -51.34 2.94 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.731 0.301 . . . . 10.0 110.69 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -101.94 116.19 5.46 Favored Glycine 0 N--CA 1.441 -1.029 0 N-CA-C 111.13 -0.788 . . . . 10.0 111.13 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 78' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -103.97 119.14 38.31 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.914 0.388 . . . . 10.0 111.42 -179.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 11.2 tp -98.02 121.32 39.81 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.29 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 27.4 m -87.93 98.29 11.41 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.989 -0.745 . . . . 10.0 108.989 179.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 21.9 t -98.31 115.89 39.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.022 -0.536 . . . . 10.0 111.417 -178.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -128.4 161.82 28.57 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.577 -0.738 . . . . 10.0 109.894 179.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -105.46 131.97 52.22 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.454 -0.339 . . . . 10.0 110.256 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 84' ' ' ILE . . . . . . . . . . . . . 18.8 pt -68.48 -9.69 11.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.521 -0.309 . . . . 10.0 111.735 -179.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 22.2 p-10 -107.84 15.54 24.4 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.15 179.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -141.95 95.14 2.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.856 -0.611 . . . . 10.0 109.406 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.57 -32.13 70.07 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.064 -0.516 . . . . 10.0 112.19 -178.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -59.44 -47.55 85.05 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.343 -0.39 . . . . 10.0 111.668 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 89.8 p -60.58 -37.88 82.79 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.135 0.42 . . . . 10.0 112.135 -179.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -65.52 -42.59 91.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.934 0.397 . . . . 10.0 111.288 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -73.3 -29.46 62.72 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.391 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.58 -23.04 66.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.878 -0.601 . . . . 10.0 111.786 -179.753 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 40.4 mm -57.99 -36.58 56.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.177 0.513 . . . . 10.0 110.175 179.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 17.8 t60 -61.97 -41.78 98.4 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.674 -0.694 . . . . 10.0 110.164 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 77.3 m-70 -63.19 -44.95 93.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.493 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -67.0 -42.41 85.05 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.934 -0.576 . . . . 10.0 110.808 -179.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 97' ' ' ARG . . . . . 0.484 ' NH1' ' HZ2' ' C' ' 101' ' ' LYS . 3.9 tmt_? -56.54 -48.57 76.98 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.282 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -65.02 -35.63 81.8 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.108 -0.496 . . . . 10.0 111.777 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -66.26 -49.64 66.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.499 -0.318 . . . . 10.0 111.002 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 58.1 mt -54.8 -42.0 59.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 O-C-N 123.386 0.428 . . . . 10.0 110.866 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 101' ' ' LYS . . . . . 0.484 ' HZ2' ' NH1' ' C' ' 97' ' ' ARG . 44.8 mtmt -62.86 -39.28 93.94 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.897 -0.592 . . . . 10.0 111.05 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 9.8 tmm_? -74.33 -40.71 62.02 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.22 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 61.1 t -56.58 -49.3 78.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.113 -0.494 . . . . 10.0 111.924 -179.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 13.1 mttp -97.26 -1.73 44.17 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.708 -0.397 . . . . 10.0 111.823 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 32.3 t70 53.92 58.63 4.89 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.72 0.771 . . . . 10.0 111.087 -179.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 27.0 m -150.39 149.28 29.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.751 -0.659 . . . . 10.0 110.592 -179.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -92.52 -48.04 6.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.977 0.418 . . . . 10.0 110.988 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -79.97 92.98 5.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.053 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 66.0 t -112.14 131.49 22.5 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 116.299 -0.41 . . . . 10.0 110.108 -179.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -68.32 102.85 0.86 Allowed 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.676 2.251 . . . . 10.0 111.481 179.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 111' ' ' MET . . . . . . . . . . . . . 33.6 mtm -138.84 154.74 48.46 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.094 -0.503 . . . . 10.0 109.774 -179.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 93.6 t -134.59 130.47 53.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 N-CA-C 109.273 -0.64 . . . . 10.0 109.273 178.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 15.1 tp -84.42 117.79 23.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.924 0.392 . . . . 10.0 110.026 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 33.1 t -123.85 122.54 64.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.223 0.535 . . . . 10.0 111.451 -178.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -100.97 120.34 6.85 Favored Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 110.255 -1.138 . . . . 10.0 110.255 178.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -101.78 165.37 11.24 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.844 0.322 . . . . 10.0 111.424 -179.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 98.8 mttt 66.92 30.39 7.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.698 -0.683 . . . . 10.0 111.905 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 118' ' ' CYS . . . . . . . . . . . . . 57.9 m -69.88 -8.1 45.75 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.88 0.696 . . . . 10.0 112.88 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -94.03 1.31 56.24 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.928 0.394 . . . . 10.0 111.218 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 30.6 mt -90.96 128.47 47.74 Favored Pre-proline 0 C--O 1.236 0.362 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.652 179.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -67.75 152.99 77.02 Favored 'Trans proline' 0 C--O 1.236 0.407 0 C-N-CA 122.365 2.044 . . . . 10.0 111.443 179.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 6.7 m 65.59 79.76 0.24 Allowed 'General case' 0 CA--C 1.529 0.171 0 O-C-N 123.758 0.661 . . . . 10.0 111.364 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -93.51 139.01 31.21 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.983 -0.553 . . . . 10.0 111.224 -179.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 16.1 p -87.53 -32.96 19.12 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.02 0.438 . . . . 10.0 109.937 179.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 64.8 t -92.95 121.08 43.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-N 116.0 -0.546 . . . . 10.0 110.612 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -78.74 139.45 38.44 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.498 -0.774 . . . . 10.0 109.633 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.31 -37.37 82.98 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.324 0.583 . . . . 10.0 109.88 179.658 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.71 -46.45 87.3 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.097 -0.956 . . . . 10.0 111.786 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -68.41 -27.98 66.68 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.846 0.355 . . . . 10.0 111.527 -179.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -80.33 -44.94 18.66 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.006 0.431 . . . . 10.0 110.416 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -64.99 -42.7 94.28 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.967 -0.56 . . . . 10.0 111.041 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -68.64 -31.19 70.16 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.293 -0.412 . . . . 10.0 111.203 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 48.2 tp -67.77 -41.72 82.86 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.317 -0.623 . . . . 10.0 109.317 178.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -67.78 -26.37 66.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.337 -0.847 . . . . 10.0 109.693 179.042 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 6.8 tmm_? -61.27 -44.21 97.62 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.352 -0.84 . . . . 10.0 110.729 179.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -73.37 -22.36 60.3 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.984 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -83.06 -32.59 26.74 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.055 -0.521 . . . . 10.0 111.109 -179.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 93.19 11.11 58.93 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.744 -0.741 . . . . 10.0 112.121 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 41.4 pt -114.68 159.28 37.78 Favored Pre-proline 0 C--N 1.326 -0.446 0 N-CA-C 110.334 -0.247 . . . . 10.0 110.334 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -87.35 158.97 8.18 Favored 'Trans proline' 0 N--CA 1.46 -0.484 0 C-N-CA 122.488 2.125 . . . . 10.0 112.963 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -121.07 136.88 54.89 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.617 -0.719 . . . . 10.0 109.71 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 37.6 mt -131.21 137.13 56.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.738 -0.21 . . . . 10.0 111.329 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -89.52 134.44 34.11 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 108.437 -0.949 . . . . 10.0 108.437 178.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 21.7 p -131.19 171.15 13.63 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.959 0.725 . . . . 10.0 112.959 -178.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 14.4 t -168.74 117.85 0.7 Allowed 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 114.842 -1.072 . . . . 10.0 108.705 179.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -79.55 -0.11 32.11 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.74 0.305 . . . . 10.0 111.276 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 5.5 ttmt -82.48 -53.08 6.27 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.542 -0.54 . . . . 10.0 109.542 179.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -87.92 -22.22 24.48 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.649 -0.501 . . . . 10.0 109.649 178.573 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 26.9 ttt-85 63.39 48.15 3.66 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.503 -0.772 . . . . 10.0 111.194 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -123.92 134.47 53.51 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.683 -0.69 . . . . 10.0 109.578 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 86.17 -19.88 24.3 Favored Glycine 0 C--N 1.329 0.171 0 C-N-CA 120.946 -0.645 . . . . 10.0 112.671 179.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 3.7 t -64.99 -41.61 92.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.095 0.474 . . . . 10.0 110.608 -179.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.31 -36.64 82.78 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.857 -0.61 . . . . 10.0 110.723 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.11 -39.26 93.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.009 -0.542 . . . . 10.0 110.371 179.35 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.32 -47.15 87.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.504 -0.771 . . . . 10.0 111.486 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -59.41 -47.53 85.1 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.74 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 21.7 m-30 -61.76 -44.31 97.14 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.977 -0.556 . . . . 10.0 111.481 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 29.5 m -61.21 -42.43 98.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 10.0 112.154 -179.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 33.5 tp -60.99 -37.41 82.38 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.908 0.385 . . . . 10.0 111.2 -179.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 85.7 t -70.77 -42.39 77.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.913 -0.585 . . . . 10.0 111.035 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 78.4 mtm-85 -65.16 -32.54 74.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.099 -0.501 . . . . 10.0 111.766 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 162' ' ' GLU . . . . . 0.444 ' CD ' ' HZ2' ' C' ' 165' ' ' LYS . 14.9 tp10 -65.39 -31.96 73.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.989 0.423 . . . . 10.0 110.621 179.512 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 61.2 mt -67.58 -35.77 74.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.049 179.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 42.5 mtt85 -69.62 -19.0 63.65 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.052 -0.522 . . . . 10.0 111.272 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 165' ' ' LYS . . . . . 0.444 ' HZ2' ' CD ' ' C' ' 162' ' ' GLU . 30.1 ttmt -75.65 -19.01 59.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 10.0 111.189 -179.648 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 61.0 t60 -60.42 -45.82 92.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.19 0.519 . . . . 10.0 110.146 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 42.9 pttt . . . . . 0 C--N 1.325 -0.479 0 CA-C-N 115.941 -0.572 . . . . 10.0 109.934 179.333 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 7.1 tmtm? . . . . . 0 C--O 1.233 0.203 0 CA-C-O 120.602 0.239 . . . . 10.0 111.17 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 73.2 mt -65.6 -39.16 91.26 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.648 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 27.8 mt -63.97 -47.41 80.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.084 -0.507 . . . . 10.0 111.194 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -62.55 -49.62 74.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.726 -0.67 . . . . 10.0 111.308 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -68.28 -27.65 66.51 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.768 -0.651 . . . . 10.0 112.243 -178.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 79.9 t90 -68.18 -35.07 77.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.121 -0.491 . . . . 10.0 109.935 179.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -61.71 -38.81 89.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.386 -0.37 . . . . 10.0 110.526 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 10.5 m -64.01 -30.43 71.5 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.857 179.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 46.3 t -76.05 -45.44 36.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 108.879 -0.785 . . . . 10.0 108.879 178.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 10.9 m -59.89 -42.62 94.2 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.358 -0.837 . . . . 10.0 111.786 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 2.8 p -63.22 -44.6 94.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.988 0.423 . . . . 10.0 109.926 179.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 29.6 m -63.42 -43.95 96.01 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.873 -0.603 . . . . 10.0 109.818 178.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.78 -38.35 84.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.693 179.359 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 21.7 m -65.67 -46.64 78.34 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.167 -0.469 . . . . 10.0 110.256 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -65.38 -37.38 86.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.184 179.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 31.6 mt -63.58 -42.21 98.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.049 -0.523 . . . . 10.0 109.89 178.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 47.7 mtt85 -67.88 -32.3 72.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 10.0 111.157 179.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -71.36 -31.77 67.73 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.377 -0.601 . . . . 10.0 109.377 178.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -79.52 -29.78 41.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.798 -0.637 . . . . 10.0 109.605 178.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 16.2 mt -55.06 -33.3 62.61 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-N 115.877 -0.602 . . . . 10.0 111.065 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -58.31 -69.69 1.2 Allowed Glycine 0 N--CA 1.45 -0.424 0 N-CA-C 110.699 -0.96 . . . . 10.0 110.699 178.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -52.25 -39.48 72.0 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.926 2.417 . . . . 10.0 111.364 178.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 8.8 t -56.82 -51.15 71.2 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 CA-C-O 120.82 0.343 . . . . 10.0 110.346 178.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 11.2 m -64.68 -39.67 94.07 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.513 -0.312 . . . . 10.0 110.299 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -62.14 -53.84 49.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.941 179.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -64.94 -43.02 94.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 10.0 111.472 -179.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -65.1 -48.2 74.53 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.87 0.322 . . . . 10.0 111.87 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 1.6 t-105 -65.71 -32.94 74.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.577 -0.283 . . . . 10.0 111.066 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -60.71 -45.4 94.36 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 178.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -71.37 -35.26 71.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.762 -0.654 . . . . 10.0 110.048 178.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 51.4 mt -61.39 -41.77 97.66 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.67 -0.492 . . . . 10.0 109.67 178.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -64.26 -31.59 72.85 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.188 178.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 74.1 mttt -71.15 -43.6 67.24 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.632 -0.507 . . . . 10.0 109.632 178.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -63.98 -45.83 87.33 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.117 179.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 10.3 p -66.52 -39.21 88.52 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.301 179.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -61.79 -44.68 96.39 Favored 'General case' 0 C--O 1.231 0.124 0 N-CA-C 109.457 -0.572 . . . . 10.0 109.457 178.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -60.05 -43.96 97.74 Favored Glycine 0 N--CA 1.445 -0.757 0 N-CA-C 109.923 -1.271 . . . . 10.0 109.923 178.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 79.0 mt -66.43 -26.73 67.36 Favored 'General case' 0 C--O 1.224 -0.276 0 CA-C-N 115.638 -0.281 . . . . 10.0 110.794 178.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 63.5 mtt180 -69.11 -45.62 69.74 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 108.58 -0.896 . . . . 10.0 108.58 178.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -67.14 -41.75 85.58 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 108.667 -0.864 . . . . 10.0 108.667 178.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -62.31 -38.99 91.55 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-N 114.98 -1.009 . . . . 10.0 111.002 179.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 3.2 mtm -58.1 -29.56 65.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.667 0.27 . . . . 10.0 110.875 179.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 1.9 m -70.62 -0.89 9.59 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-O 121.285 0.564 . . . . 10.0 110.759 179.113 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -131.11 -56.59 1.03 Allowed 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.36 -0.608 . . . . 10.0 109.36 178.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 246' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -57.09 -37.72 72.31 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.671 -0.695 . . . . 10.0 111.631 -179.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.49 -35.81 9.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 10.0 111.408 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -69.1 -43.19 74.96 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.738 -0.385 . . . . 10.0 111.686 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -73.18 -31.11 64.01 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 121.08 -0.248 . . . . 10.0 110.558 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 250' ' ' VAL . . . . . . . . . . . . . 1.6 p -63.78 -31.79 54.46 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.122 0 C-N-CA 120.485 -0.486 . . . . 10.0 109.888 179.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 66.0 mttt -82.17 -44.6 16.23 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.789 -0.641 . . . . 10.0 110.175 179.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -61.23 -43.71 98.43 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.388 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 24.9 mtpt -79.84 -18.41 50.85 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.918 -0.583 . . . . 10.0 111.851 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 254' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -66.28 -26.75 38.71 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 C-N-CA 120.686 -0.405 . . . . 10.0 110.215 179.461 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -60.57 -61.53 7.77 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 115.801 -0.636 . . . . 10.0 111.382 179.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -67.88 -28.42 36.07 Favored 'Trans proline' 0 C--N 1.355 0.901 0 C-N-CA 121.724 1.616 . . . . 10.0 111.697 179.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 6.7 m-30 -66.42 -55.23 16.73 Favored 'General case' 0 N--CA 1.46 0.053 0 CA-C-O 121.019 0.437 . . . . 10.0 110.315 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 55.5 mt -69.18 -31.6 70.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.167 -0.47 . . . . 10.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -61.34 -43.92 98.05 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.748 -0.464 . . . . 10.0 109.748 179.062 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -66.06 -54.49 25.17 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.104 179.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -56.23 -40.59 74.35 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.629 -0.714 . . . . 10.0 111.948 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -61.85 -47.26 85.83 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.012 -0.366 . . . . 10.0 110.012 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 16.5 mtmt -66.39 -35.03 79.29 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 110.294 -0.262 . . . . 10.0 110.294 179.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 264' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -63.46 -56.83 12.99 Favored 'General case' 0 CA--C 1.518 -0.255 0 N-CA-C 109.048 -0.723 . . . . 10.0 109.048 178.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 83.4 m95 -61.08 -32.16 71.82 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.566 179.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -61.76 -54.27 44.71 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 109.335 -0.617 . . . . 10.0 109.335 178.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -60.85 -37.34 81.75 Favored 'General case' 0 N--CA 1.456 -0.139 0 CA-C-N 116.229 -0.441 . . . . 10.0 109.903 179.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -59.66 -46.96 87.45 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.867 -0.606 . . . . 10.0 109.546 178.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 22.1 mmt -67.27 -40.89 86.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.746 -0.661 . . . . 10.0 110.227 179.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -57.29 -55.74 30.86 Favored 'General case' 0 CA--C 1.519 -0.231 0 N-CA-C 109.91 -0.404 . . . . 10.0 109.91 179.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 37.4 mt -59.4 -42.42 91.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.826 -0.624 . . . . 10.0 110.759 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.13 -27.62 66.6 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.752 0.279 . . . . 10.0 111.752 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 84.9 mtt180 -83.65 -33.06 25.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.894 0.378 . . . . 10.0 111.288 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -77.77 -27.04 50.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.321 0.581 . . . . 10.0 109.499 178.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 275' ' ' LYS . . . . . . . . . . . . . 53.2 mttp -91.15 -24.13 20.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.482 -0.781 . . . . 10.0 111.769 178.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 5.2 p -62.18 -30.38 48.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 O-C-N 122.085 -0.385 . . . . 10.0 110.893 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -62.52 -59.65 12.2 Favored Pre-proline 0 CA--C 1.535 0.368 0 CA-C-N 116.415 -0.357 . . . . 10.0 111.539 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_endo -62.11 -38.61 55.1 Favored 'Trans proline' 0 C--N 1.356 0.973 0 C-N-CA 121.689 1.592 . . . . 10.0 111.655 178.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 20.8 mt -60.74 -46.4 90.6 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.009 0.433 . . . . 10.0 110.383 179.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 -68.32 -31.95 71.74 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.076 -0.511 . . . . 10.0 109.858 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -65.5 -46.21 80.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.045 -0.525 . . . . 10.0 109.759 178.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -62.14 -44.55 96.38 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.367 -0.605 . . . . 10.0 109.367 178.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 34.8 mt -62.35 -44.2 97.03 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.381 -0.827 . . . . 10.0 110.866 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -66.3 -46.86 75.48 Favored 'General case' 0 C--O 1.234 0.249 0 O-C-N 123.063 0.227 . . . . 10.0 111.422 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -62.52 -48.42 79.63 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 109.544 -0.539 . . . . 10.0 109.544 179.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -61.04 -37.71 94.34 Favored Glycine 0 N--CA 1.447 -0.592 0 N-CA-C 111.097 -0.801 . . . . 10.0 111.097 178.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -62.35 -46.55 88.14 Favored 'General case' 0 CA--C 1.515 -0.376 0 N-CA-C 109.616 -0.513 . . . . 10.0 109.616 178.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 68.7 mtt180 -58.93 -47.52 84.77 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-O 121.034 0.445 . . . . 10.0 109.917 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.43 -54.64 43.2 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.186 -0.916 . . . . 10.0 110.937 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 65.0 mttt -63.4 -38.67 92.03 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.184 -0.462 . . . . 10.0 112.162 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 17.3 mt -68.67 -42.69 77.52 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.095 -0.335 . . . . 10.0 110.095 179.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.72 -40.35 94.74 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.479 -0.563 . . . . 10.0 109.479 178.783 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.07 -41.52 98.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.877 -0.601 . . . . 10.0 109.828 178.395 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 79.9 mt -67.2 -43.76 81.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.65 -0.705 . . . . 10.0 110.403 179.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -63.33 -33.83 76.37 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.16 0.505 . . . . 10.0 110.256 179.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -64.78 -15.06 61.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.505 -0.771 . . . . 10.0 110.587 178.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 10.5 mmtp -109.65 -34.34 6.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.012 178.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 79.3 mt -63.6 -25.74 68.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.322 -0.399 . . . . 10.0 111.578 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 299' ' ' SER . . . . . . . . . . . . . 3.7 m -80.2 -67.49 0.23 Allowed Pre-proline 0 CA--C 1.536 0.417 0 N-CA-C 112.456 0.539 . . . . 10.0 112.456 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 300' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -65.95 -54.08 0.6 Allowed 'Trans proline' 0 C--N 1.359 1.084 0 C-N-CA 121.792 1.661 . . . . 10.0 112.26 -179.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 94.4 mt -64.66 -29.05 70.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.947 0.404 . . . . 10.0 110.01 179.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -66.83 -53.28 28.17 Favored Glycine 0 N--CA 1.448 -0.516 0 N-CA-C 110.883 -0.887 . . . . 10.0 110.883 178.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -64.75 -34.23 77.85 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.159 0.504 . . . . 10.0 109.685 178.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -62.16 -43.64 98.37 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.695 -0.854 . . . . 10.0 108.695 177.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 16.1 tpt -66.38 -38.75 88.22 Favored 'General case' 0 C--O 1.22 -0.46 0 CA-C-N 115.732 -0.667 . . . . 10.0 109.514 178.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -61.84 -43.86 98.0 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.139 179.271 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -69.32 -43.85 72.9 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 116.059 -0.518 . . . . 10.0 110.592 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 15.3 mmt180 -63.08 -35.76 81.34 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.735 -0.468 . . . . 10.0 109.735 178.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -65.99 -35.69 81.25 Favored 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 108.92 -0.77 . . . . 10.0 108.92 178.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 310' ' ' ARG . . . . . . . . . . . . . 78.4 mtt180 -58.63 -52.19 66.73 Favored 'General case' 0 CA--C 1.518 -0.251 0 N-CA-C 108.509 -0.923 . . . . 10.0 108.509 178.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -63.89 -38.65 91.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.599 -0.728 . . . . 10.0 110.348 179.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -56.13 -50.62 70.58 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.875 179.518 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 9.7 t -78.82 -34.02 16.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.383 -179.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -60.35 -49.3 78.12 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 109.908 -0.405 . . . . 10.0 109.908 178.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -64.22 -31.53 72.76 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 109.31 -0.626 . . . . 10.0 109.31 178.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 10.7 mt -68.56 -47.0 67.97 Favored 'General case' 0 C--O 1.219 -0.545 0 CA-C-N 115.68 -0.691 . . . . 10.0 109.945 178.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 31.4 mtt85 -61.75 -40.38 94.91 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.789 0.328 . . . . 10.0 110.131 179.366 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 27.8 m -63.24 -26.98 69.04 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.679 -0.692 . . . . 10.0 110.549 179.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 14.4 m80 -91.74 -42.43 10.14 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.314 179.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 89.2 mt -62.56 -28.9 70.19 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.354 0.501 . . . . 10.0 112.354 -179.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -57.56 -63.24 3.99 Favored Pre-proline 0 C--O 1.237 0.41 0 N-CA-C 111.528 0.196 . . . . 10.0 111.528 179.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -66.43 -32.53 40.15 Favored 'Trans proline' 0 C--N 1.356 0.958 0 C-N-CA 121.306 1.337 . . . . 10.0 110.999 178.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -59.27 -51.14 71.23 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.315 -0.402 . . . . 10.0 111.094 179.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 34.1 p -68.69 -39.43 80.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.42 -0.354 . . . . 10.0 110.972 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -62.02 -40.97 97.51 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.917 0.389 . . . . 10.0 110.374 179.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -69.3 -35.61 76.17 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.223 -0.658 . . . . 10.0 109.223 178.024 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 28.7 mt -62.81 -35.68 80.67 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.493 -0.558 . . . . 10.0 109.493 178.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 65.7 mtt180 -61.98 -42.69 99.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.675 -0.693 . . . . 10.0 109.591 178.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -66.48 -42.97 86.68 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.921 -0.77 . . . . 10.0 108.921 178.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 22.0 mtt-85 -59.83 -47.81 84.22 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.126 -0.943 . . . . 10.0 110.154 178.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 79.7 mt -63.7 -39.37 94.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.54 179.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -62.68 -40.06 95.91 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.995 -0.372 . . . . 10.0 109.995 179.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -72.07 -42.94 65.62 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.95 -0.568 . . . . 10.0 110.017 178.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -60.17 -49.58 77.05 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 115.95 -0.568 . . . . 10.0 109.769 178.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 79.4 mt -64.29 -33.66 76.33 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.695 -0.684 . . . . 10.0 110.751 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -66.02 -48.66 70.39 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.597 -0.52 . . . . 10.0 109.597 178.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -61.41 -41.66 97.51 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.093 -0.706 . . . . 10.0 109.093 178.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 34.7 mt -64.32 -33.12 75.1 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-N 115.662 -0.699 . . . . 10.0 111.003 178.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 45.6 mttt -78.04 -44.79 25.44 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.755 -0.202 . . . . 10.0 110.797 179.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -62.24 -54.63 38.03 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.042 -0.527 . . . . 10.0 110.46 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -72.44 -32.33 66.2 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.966 -0.561 . . . . 10.0 109.938 179.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -62.94 -46.07 94.33 Favored Glycine 0 CA--C 1.507 -0.468 0 N-CA-C 111.56 -0.616 . . . . 10.0 111.56 179.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -60.63 -35.74 90.08 Favored Glycine 0 N--CA 1.452 -0.297 0 N-CA-C 110.755 -0.938 . . . . 10.0 110.755 178.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -69.24 -45.2 70.35 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.004 -0.739 . . . . 10.0 109.004 178.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 31.0 mtm180 -61.3 -39.59 91.02 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 115.788 -0.642 . . . . 10.0 110.283 179.027 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 43.5 mt -61.65 -50.44 72.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 10.0 109.852 178.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.13 -42.43 98.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.331 179.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -66.61 -46.65 75.18 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.99 179.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -60.9 -37.35 81.91 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.88 179.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -62.96 -43.11 99.7 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.569 -0.53 . . . . 10.0 109.569 178.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -64.83 -47.5 77.77 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.796 -0.638 . . . . 10.0 109.733 178.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 21.4 mttm -60.67 -38.52 85.2 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.712 -0.676 . . . . 10.0 110.719 179.269 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.41 -39.35 85.52 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.236 -0.438 . . . . 10.0 109.843 179.044 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 93.8 m -64.95 -43.19 93.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.134 179.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -62.17 -37.02 83.65 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 108.948 -0.76 . . . . 10.0 108.948 178.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -68.01 -33.13 74.03 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 115.185 -0.916 . . . . 10.0 109.33 178.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 74.7 mt -70.67 -39.88 73.3 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.266 178.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 15.6 m -59.65 -43.74 93.78 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 121.153 0.501 . . . . 10.0 109.784 178.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 1.1 p -76.87 -28.41 55.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.806 -0.633 . . . . 10.0 110.502 179.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 43.0 tp -66.03 -30.42 70.95 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 108.911 -0.774 . . . . 10.0 108.911 178.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 14.9 m -65.49 -29.48 70.14 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.564 -0.744 . . . . 10.0 109.385 178.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -70.71 -20.42 62.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.742 -0.663 . . . . 10.0 109.837 178.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 363' ' ' LYS . . . . . . . . . . . . . 79.7 mttt -94.71 -39.08 10.49 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.493 -0.776 . . . . 10.0 109.675 179.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -74.35 -24.94 59.25 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.759 -0.655 . . . . 10.0 112.528 -179.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 82.7 mttt -110.26 -76.96 0.01 OUTLIER Pre-proline 0 CA--C 1.538 0.495 0 N-CA-C 112.859 0.688 . . . . 10.0 112.859 179.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -57.18 -49.7 13.33 Favored 'Trans proline' 0 C--N 1.357 1.014 0 C-N-CA 121.972 1.781 . . . . 10.0 113.522 -179.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 367' ' ' ALA . . . . . . . . . . . . . . . -63.11 -54.09 43.29 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.626 0.232 . . . . 10.0 111.626 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 11.9 mt -58.19 -40.1 80.65 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 111.696 0.258 . . . . 10.0 111.696 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 56.8 tt0 -64.73 -51.12 64.06 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.98 -0.378 . . . . 10.0 109.98 179.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -59.12 -36.7 75.66 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.088 0.471 . . . . 10.0 109.743 179.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 61.3 mt -63.07 -52.8 61.32 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.752 -0.658 . . . . 10.0 109.867 178.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -62.27 -41.23 98.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.051 -0.522 . . . . 10.0 111.447 -179.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -62.06 -31.11 71.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.947 0.403 . . . . 10.0 110.972 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -89.66 -32.75 9.8 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.699 -0.762 . . . . 10.0 111.596 179.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 20.7 mt -68.0 -35.41 78.27 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.785 0.291 . . . . 10.0 111.785 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 31.4 mt -52.35 -61.02 5.07 Favored Pre-proline 0 CA--C 1.535 0.4 0 N-CA-C 112.075 0.398 . . . . 10.0 112.075 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -61.66 -35.71 79.03 Favored 'Trans proline' 0 C--N 1.359 1.093 0 C-N-CA 121.71 1.607 . . . . 10.0 111.872 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 35.8 t -61.69 -45.15 99.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 N-CA-C 109.85 -0.426 . . . . 10.0 109.85 179.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 87.4 mt -62.42 -35.4 79.13 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 115.965 -0.562 . . . . 10.0 109.929 178.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -63.15 -47.51 82.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.029 179.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.38 -32.24 73.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.211 0.529 . . . . 10.0 110.03 179.036 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -64.3 -43.17 95.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.533 -0.758 . . . . 10.0 109.669 178.644 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -62.62 -40.49 97.13 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.187 179.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 84.2 t -62.97 -48.03 89.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.786 179.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 2.5 p -68.88 -33.83 74.42 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.405 -0.361 . . . . 10.0 111.259 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -71.0 -44.56 65.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.591 -0.277 . . . . 10.0 111.056 179.368 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 34.8 mt -60.02 -45.04 94.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.356 -0.384 . . . . 10.0 110.58 179.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 3.2 p -67.59 -35.97 79.99 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.65 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -63.55 -42.94 98.34 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.429 -0.35 . . . . 10.0 110.071 179.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 96.6 mt -61.3 -37.07 81.87 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.079 0.466 . . . . 10.0 109.832 179.014 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -68.91 -44.46 73.11 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.242 -0.651 . . . . 10.0 109.242 178.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -54.99 -40.97 70.65 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.844 179.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -66.59 -53.99 28.33 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.236 179.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 23.2 m -60.46 -40.44 91.21 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 112.218 0.451 . . . . 10.0 112.218 -179.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -62.44 -28.61 69.93 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 112.94 0.719 . . . . 10.0 112.94 -179.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -108.29 -21.09 12.91 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 113.472 0.916 . . . . 10.0 113.472 -178.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 39.6 mt -94.25 -14.76 25.17 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.064 0.394 . . . . 10.0 112.064 -179.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 63.3 t30 . . . . . 0 C--N 1.324 -0.514 0 CA-C-O 120.82 0.343 . . . . 10.0 110.783 179.986 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 3.4 mm? . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.947 0.403 . . . . 10.0 110.716 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -112.96 26.29 10.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.326 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 67.5 mt -63.07 -45.23 93.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.004 -0.544 . . . . 10.0 111.096 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 54.8 mt -66.63 -35.66 80.7 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.213 -0.449 . . . . 10.0 110.584 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -61.4 -48.91 79.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.432 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -72.5 -39.52 67.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.903 -0.59 . . . . 10.0 111.095 -179.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -64.59 -37.34 87.22 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.988 -179.607 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -61.04 -36.77 80.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.422 -0.354 . . . . 10.0 110.977 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.42 -39.58 94.88 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 108.915 -0.772 . . . . 10.0 108.915 178.72 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 30.7 t -68.06 -36.31 74.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 CA-C-N 115.442 -0.799 . . . . 10.0 109.483 179.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 9.0 m -63.38 -38.45 91.21 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 109.275 -0.639 . . . . 10.0 109.275 178.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 16.6 m -65.77 -42.35 90.93 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.988 -0.551 . . . . 10.0 109.519 178.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 26.8 m -64.18 -39.27 93.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.099 -0.501 . . . . 10.0 110.23 178.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -61.74 -41.32 97.51 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.313 -0.625 . . . . 10.0 109.313 178.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 41.5 m -65.44 -40.86 93.79 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.458 -0.792 . . . . 10.0 110.059 178.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 51.8 mmtt -65.14 -32.33 73.96 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-O 121.028 0.442 . . . . 10.0 110.385 178.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 85.2 mt -65.94 -39.56 90.58 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 108.747 -0.834 . . . . 10.0 108.747 178.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 70.5 mtt180 -69.64 -35.95 75.67 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.816 -0.629 . . . . 10.0 109.92 179.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -64.78 -21.58 66.8 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.98 -0.554 . . . . 10.0 109.717 178.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -89.23 -44.55 10.2 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.492 -0.929 . . . . 10.0 108.492 177.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 82.5 mt -48.32 -55.2 11.29 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 115.329 -0.851 . . . . 10.0 111.949 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -47.87 -71.72 0.53 Allowed Glycine 0 CA--C 1.523 0.554 0 O-C-N 123.493 0.496 . . . . 10.0 113.738 -179.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -58.97 -45.18 29.87 Favored 'Trans proline' 0 CA--C 1.532 0.398 0 C-N-CA 122.838 2.359 . . . . 10.0 113.035 179.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 51.9 t -60.38 -46.88 94.45 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.201 0 N-CA-C 112.934 0.716 . . . . 10.0 112.934 -178.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 28.6 p -61.59 -40.25 94.11 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.726 -0.39 . . . . 10.0 111.181 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -58.85 -51.57 69.43 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.021 0.439 . . . . 10.0 110.52 179.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -72.38 -29.47 63.79 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.552 -0.459 . . . . 10.0 111.433 179.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -67.87 -41.31 83.05 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 109.545 -0.539 . . . . 10.0 109.545 178.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 6.3 m0 -62.26 -49.09 77.08 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 115.858 -0.61 . . . . 10.0 109.426 178.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -62.87 -35.09 78.86 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.603 -0.518 . . . . 10.0 109.603 178.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -63.84 -46.28 85.74 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 108.914 -0.772 . . . . 10.0 108.914 177.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 95.6 mt -65.15 -36.38 84.05 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.595 -0.729 . . . . 10.0 110.191 179.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -62.74 -37.57 87.09 Favored 'General case' 0 CA--C 1.521 -0.15 0 N-CA-C 110.094 -0.335 . . . . 10.0 110.094 178.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 42.6 mttp -64.7 -35.93 82.63 Favored 'General case' 0 CA--C 1.519 -0.215 0 N-CA-C 108.817 -0.809 . . . . 10.0 108.817 177.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -69.54 -47.89 62.22 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.356 -0.838 . . . . 10.0 110.629 179.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.76 -42.99 99.94 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 121.017 -0.273 . . . . 10.0 110.682 179.496 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -65.6 -44.83 85.4 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.595 -0.275 . . . . 10.0 110.338 178.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -62.14 -44.91 97.08 Favored Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 110.409 -1.076 . . . . 10.0 110.409 178.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 10.5 mt -61.2 -38.11 85.39 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.736 -0.468 . . . . 10.0 109.736 178.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 55.4 mtt180 -66.52 -31.23 71.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.523 -0.308 . . . . 10.0 111.014 179.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -68.65 -29.82 68.38 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-O 121.278 0.561 . . . . 10.0 109.666 178.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -85.93 -49.2 8.04 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.515 -0.766 . . . . 10.0 110.032 179.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 97.9 mmm -60.39 -29.82 69.19 Favored 'General case' 0 CA--C 1.522 -0.125 0 CA-C-N 115.639 -0.709 . . . . 10.0 112.775 -178.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 3.0 p -62.93 -56.68 15.09 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.026 -0.731 . . . . 10.0 109.026 178.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 59.1 tttp -63.26 -39.83 95.7 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.57 -0.741 . . . . 10.0 109.497 178.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -58.08 -53.89 53.14 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.496 -0.774 . . . . 10.0 111.671 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 67.7 mt -73.08 -44.0 61.1 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 113.339 0.866 . . . . 10.0 113.339 -178.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -64.75 -43.14 94.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.854 0.359 . . . . 10.0 111.326 -179.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 447' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -75.73 -29.06 58.77 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.459 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.64 -28.33 44.77 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.194 0 CA-C-O 120.767 0.317 . . . . 10.0 110.184 179.421 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -64.29 -42.43 96.39 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 108.263 -1.014 . . . . 10.0 108.263 178.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -81.42 7.49 11.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.496 -0.775 . . . . 10.0 110.571 179.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 48.9 mttm -113.89 -45.7 3.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.365 179.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 87.3 t -69.38 -35.91 69.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 CA-C-N 116.152 -0.476 . . . . 10.0 111.04 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -58.92 -59.2 14.58 Favored Pre-proline 0 C--N 1.325 -0.468 0 N-CA-C 112.231 0.456 . . . . 10.0 112.231 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -67.33 -23.17 44.91 Favored 'Trans proline' 0 C--N 1.356 0.962 0 C-N-CA 121.952 1.768 . . . . 10.0 110.979 178.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -68.62 -51.65 39.99 Favored 'General case' 0 CA--C 1.516 -0.347 0 N-CA-C 109.107 -0.701 . . . . 10.0 109.107 179.266 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 44.3 mt -68.28 -27.88 66.71 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.622 -0.717 . . . . 10.0 110.423 179.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -68.59 -50.75 49.18 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.482 -0.562 . . . . 10.0 109.482 178.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 458' ' ' ASP . . . . . 0.427 ' CG ' ' HZ2' ' D' ' 462' ' ' LYS . 33.0 t70 -63.83 -37.76 88.58 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 121.286 0.565 . . . . 10.0 109.584 178.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -67.85 -39.91 83.76 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.736 -0.665 . . . . 10.0 110.114 178.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -65.16 -37.92 88.9 Favored 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 109.468 -0.567 . . . . 10.0 109.468 178.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 64.9 mttt -58.37 -46.33 86.55 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.817 -0.808 . . . . 10.0 108.817 178.003 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 462' ' ' LYS . . . . . 0.427 ' HZ2' ' CG ' ' D' ' 458' ' ' ASP . 10.8 mtmm -65.87 -38.83 89.83 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.287 -0.87 . . . . 10.0 110.271 178.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 24.6 m0 -65.92 -39.31 90.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.362 -0.381 . . . . 10.0 110.073 178.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -63.53 -47.45 81.59 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 108.384 -0.969 . . . . 10.0 108.384 178.122 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 465' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -58.73 -49.75 76.46 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.424 -0.807 . . . . 10.0 109.897 178.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -45.14 94.32 Favored 'General case' 0 C--N 1.331 -0.214 0 O-C-N 123.453 0.471 . . . . 10.0 111.637 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 58.2 mtm -61.03 -41.15 96.03 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.813 -0.44 . . . . 10.0 109.813 178.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -68.06 -42.21 80.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 10.0 109.756 178.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 469' ' ' LEU . . . . . . . . . . . . . 64.9 mt -61.56 -44.3 97.29 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.138 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 20.1 m-30 -61.5 -32.75 72.79 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.697 179.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 45.1 mtt180 -71.08 -24.73 62.37 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.381 -0.372 . . . . 10.0 110.147 178.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -102.94 3.26 36.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.919 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 473' ' ' LYS . . . . . . . . . . . . . 51.6 mttm -127.18 -75.51 0.58 Allowed 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 116.117 -0.492 . . . . 10.0 111.19 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 46.0 t -57.71 -43.36 83.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 N-CA-C 111.851 0.315 . . . . 10.0 111.851 -179.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -59.85 -59.38 14.02 Favored Pre-proline 0 CA--C 1.537 0.459 0 N-CA-C 112.977 0.732 . . . . 10.0 112.977 -179.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -64.56 -35.75 46.5 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 121.605 1.537 . . . . 10.0 111.173 178.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 21.5 mt -66.98 -27.61 67.58 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 116.469 -0.332 . . . . 10.0 110.763 179.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 9.6 ttt180 -62.4 -41.3 98.57 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.995 -0.743 . . . . 10.0 108.995 178.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -75.18 -36.61 61.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.584 -0.735 . . . . 10.0 110.084 179.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -65.67 -45.83 81.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.978 -0.555 . . . . 10.0 109.607 179.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 90.6 mt -70.96 -30.17 66.38 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.959 -0.564 . . . . 10.0 109.638 178.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 47.4 tp60 -66.2 -43.39 86.88 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 109.327 -0.62 . . . . 10.0 109.327 178.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -63.56 -41.42 98.41 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 108.548 -0.908 . . . . 10.0 108.548 178.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -66.02 -38.41 94.06 Favored Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 110.623 -0.991 . . . . 10.0 110.623 178.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -65.99 -39.72 90.57 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.434 -0.58 . . . . 10.0 109.434 178.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 75.2 mtt180 -64.44 -43.98 92.6 Favored 'General case' 0 CA--C 1.514 -0.406 0 N-CA-C 108.335 -0.987 . . . . 10.0 108.335 178.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -59.81 -45.13 93.31 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.353 -0.84 . . . . 10.0 109.859 178.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 63.8 tttt -66.52 -38.23 86.74 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-N 116.422 -0.354 . . . . 10.0 110.44 179.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.31 -41.69 98.97 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 108.468 -0.938 . . . . 10.0 108.468 178.338 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -62.67 -44.06 97.22 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 108.82 -0.807 . . . . 10.0 108.82 177.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -59.88 -44.78 94.0 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.794 -0.639 . . . . 10.0 109.331 178.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 89.3 mt -68.4 -38.33 81.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.518 -0.765 . . . . 10.0 111.32 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -61.98 -38.3 88.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.302 0.572 . . . . 10.0 109.612 178.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -73.95 4.88 4.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.399 -0.819 . . . . 10.0 110.988 178.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 495' ' ' LYS . . . . . . . . . . . . . 49.6 mttp -121.13 -46.87 2.29 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.643 -0.708 . . . . 10.0 109.754 178.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 18.9 mt -61.05 -25.46 66.94 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.161 -0.472 . . . . 10.0 111.807 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 497' ' ' SER . . . . . . . . . . . . . 1.9 m -81.06 -64.5 0.28 Allowed Pre-proline 0 CA--C 1.542 0.66 0 C-N-CA 120.748 -0.381 . . . . 10.0 111.698 179.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 498' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -66.01 -49.08 2.27 Favored 'Trans proline' 0 C--N 1.357 1.012 0 C-N-CA 121.907 1.738 . . . . 10.0 112.474 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 499' ' ' LEU . . . . . . . . . . . . . 40.7 mt -71.86 -29.11 64.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.823 0.344 . . . . 10.0 110.09 179.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -64.79 -51.8 48.28 Favored Glycine 0 N--CA 1.448 -0.507 0 N-CA-C 109.905 -1.278 . . . . 10.0 109.905 178.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -65.63 -32.97 74.83 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 109.722 -0.473 . . . . 10.0 109.722 178.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 502' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -65.4 -46.64 79.24 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.798 -0.637 . . . . 10.0 109.92 179.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 89.2 mmm -61.99 -36.93 82.98 Favored 'General case' 0 CA--C 1.52 -0.182 0 N-CA-C 109.286 -0.635 . . . . 10.0 109.286 178.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -63.68 -44.58 93.3 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-N 115.61 -0.723 . . . . 10.0 109.222 177.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.16 -42.82 96.59 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.275 179.069 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 506' ' ' ARG . . . . . . . . . . . . . 56.4 mtt180 -59.09 -48.14 82.68 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 108.801 -0.814 . . . . 10.0 108.801 178.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -60.69 -40.1 90.93 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.669 -0.696 . . . . 10.0 110.309 179.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 508' ' ' ARG . . . . . . . . . . . . . 78.3 mtt180 -59.04 -45.94 89.47 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.501 -0.555 . . . . 10.0 109.501 178.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -63.58 -38.41 91.01 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.353 -0.84 . . . . 10.0 110.955 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 68.2 m-70 -70.34 -48.22 57.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.44 -0.346 . . . . 10.0 110.513 179.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 70.8 t -63.12 -45.21 99.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.361 -0.382 . . . . 10.0 110.744 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -62.27 -37.2 84.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.086 0.47 . . . . 10.0 110.671 179.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -66.63 -42.06 87.32 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.842 -0.799 . . . . 10.0 108.842 178.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 514' ' ' LEU . . . . . . . . . . . . . 97.8 mt -60.48 -26.21 66.63 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.638 179.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 515' ' ' ARG . . . . . . . . . . . . . 76.7 mtt180 -68.56 -24.12 64.58 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.926 -0.398 . . . . 10.0 109.926 178.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -108.2 -4.76 17.31 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.349 0.595 . . . . 10.0 109.981 179.37 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 27.4 m170 -105.41 -69.37 0.82 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.678 -0.692 . . . . 10.0 111.562 -179.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 38.1 mt -74.3 -46.19 42.65 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.858 0.688 . . . . 10.0 112.858 -178.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 519' ' ' ALA . . . . . . . . . . . . . . . -54.29 -57.92 16.19 Favored Pre-proline 0 N--CA 1.467 0.388 0 N-CA-C 113.235 0.828 . . . . 10.0 113.235 -179.122 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 520' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -64.16 -34.98 55.14 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 121.937 1.758 . . . . 10.0 110.904 179.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -65.0 -32.18 73.78 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.021 179.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 41.8 m -65.94 -34.02 77.15 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 109.162 -0.681 . . . . 10.0 109.162 178.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -71.91 -41.18 68.22 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-N 115.698 -0.683 . . . . 10.0 109.308 178.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -67.16 -32.23 73.18 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 109.146 -0.687 . . . . 10.0 109.146 178.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 22.6 mt -67.04 -34.01 76.76 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-N 115.63 -0.714 . . . . 10.0 109.368 177.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 526' ' ' ARG . . . . . . . . . . . . . 72.8 mtt180 -62.46 -37.72 87.04 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.076 -0.511 . . . . 10.0 109.839 178.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -63.06 -39.78 95.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.536 0.684 . . . . 10.0 109.796 179.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 528' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 -75.03 -48.12 25.61 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.014 -0.994 . . . . 10.0 110.223 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 69.7 mt -58.38 -37.77 75.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.924 179.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -61.35 -40.69 95.21 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.892 0.377 . . . . 10.0 110.076 178.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -70.8 -43.45 68.64 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.011 -0.54 . . . . 10.0 109.728 179.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -59.52 -47.14 86.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.438 -0.801 . . . . 10.0 110.02 179.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 71.6 mt -67.31 -36.49 81.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.901 -0.591 . . . . 10.0 110.665 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -62.13 -45.79 91.91 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 109.483 -0.562 . . . . 10.0 109.483 179.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -63.58 -39.36 94.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.55 -0.75 . . . . 10.0 109.461 178.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 54.0 mt -66.48 -34.44 77.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.855 -0.611 . . . . 10.0 110.815 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -74.46 -42.3 59.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.649 179.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -64.3 -44.32 92.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.526 0.679 . . . . 10.0 109.564 179.189 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -70.94 -34.59 71.62 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.615 -0.72 . . . . 10.0 109.549 178.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -66.66 -46.55 74.96 Favored Glycine 0 CA--C 1.508 -0.38 0 N-CA-C 111.283 -0.727 . . . . 10.0 111.283 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -59.41 -38.85 94.05 Favored Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 110.606 -0.998 . . . . 10.0 110.606 178.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -69.09 -45.09 71.14 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.4 -0.593 . . . . 10.0 109.4 178.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 56.5 mtt85 -63.51 -29.66 70.9 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 115.871 -0.604 . . . . 10.0 111.4 179.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 61.3 mt -66.64 -29.66 69.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.443 0.64 . . . . 10.0 109.354 178.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -81.1 -42.9 20.26 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 108.411 -0.959 . . . . 10.0 108.411 178.119 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -61.19 -47.37 86.46 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.523 -0.762 . . . . 10.0 109.668 178.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -62.83 -40.65 98.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.35 179.266 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -63.92 -43.25 96.47 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.435 -0.58 . . . . 10.0 109.435 178.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -64.01 -49.76 71.18 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.438 -0.801 . . . . 10.0 109.093 178.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.09 -40.43 85.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.996 179.68 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -63.2 -37.42 87.16 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.342 -0.614 . . . . 10.0 109.342 178.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 42.9 m -67.39 -47.49 70.17 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.889 -0.782 . . . . 10.0 108.889 178.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -60.29 -40.72 91.46 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.813 -0.63 . . . . 10.0 110.386 179.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 79.5 t60 -68.46 -41.64 79.91 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.749 -0.66 . . . . 10.0 109.86 179.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 20.8 tp -62.97 -40.27 97.2 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.307 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 1.2 p -65.0 -38.73 91.92 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.586 -0.279 . . . . 10.0 110.495 179.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 3.8 p -75.43 -31.31 60.31 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 120.855 0.359 . . . . 10.0 110.591 178.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 14.3 mt -62.8 -52.14 64.33 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 115.894 -0.594 . . . . 10.0 109.858 179.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 3.8 p -66.58 -35.63 80.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.447 . . . . 10.0 110.567 179.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -60.61 -32.24 71.38 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.488 -0.778 . . . . 10.0 111.287 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.06 -34.39 10.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.429 . . . . 10.0 111.721 -179.729 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -58.02 -45.05 87.53 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.918 0.34 . . . . 10.0 111.918 -179.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -55.44 -62.39 4.53 Favored Pre-proline 0 CA--C 1.533 0.311 0 N-CA-C 112.473 0.546 . . . . 10.0 112.473 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -63.76 -34.42 61.82 Favored 'Trans proline' 0 C--N 1.354 0.861 0 C-N-CA 121.832 1.688 . . . . 10.0 111.913 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -62.47 -52.82 61.99 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 120.593 0.235 . . . . 10.0 110.399 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 86.5 mt -59.72 -46.55 88.76 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.363 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -58.57 -53.42 58.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.981 -0.554 . . . . 10.0 111.353 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.8 -40.64 97.12 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.17 -0.468 . . . . 10.0 111.396 -179.422 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 38.3 mt -60.58 -44.25 96.41 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 110.081 -0.34 . . . . 10.0 110.081 179.128 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 -68.37 -41.83 80.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.857 0.36 . . . . 10.0 110.045 179.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -62.32 -23.72 66.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.767 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -96.14 -32.7 6.61 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.8 -0.714 . . . . 10.0 111.63 178.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 34.9 mt -66.29 -40.76 90.26 Favored 'General case' 0 C--O 1.224 -0.254 0 C-N-CA 122.413 0.285 . . . . 10.0 111.609 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 92.2 mt -55.64 -61.19 6.64 Favored Pre-proline 0 CA--C 1.536 0.426 0 N-CA-C 112.071 0.397 . . . . 10.0 112.071 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -64.79 -37.94 32.96 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 121.851 1.701 . . . . 10.0 111.754 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.64 -37.16 79.38 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 C-N-CA 121.306 -0.158 . . . . 10.0 111.227 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 29.5 mt -68.65 -39.9 80.47 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 109.477 -0.564 . . . . 10.0 109.477 178.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -65.12 -40.27 94.24 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.295 -0.631 . . . . 10.0 109.295 178.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 20.0 m -65.99 -43.96 86.25 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.209 -0.663 . . . . 10.0 109.209 178.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -60.07 -38.47 82.97 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.809 -0.632 . . . . 10.0 110.025 178.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -57.67 -43.78 85.27 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.479 -0.563 . . . . 10.0 109.479 178.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 88.2 t -61.58 -43.69 97.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.765 -0.652 . . . . 10.0 110.207 179.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 1.1 m -65.07 -43.5 92.0 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.471 179.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -66.53 -48.05 70.98 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.128 -0.487 . . . . 10.0 111.027 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 16.1 mt -56.09 -47.82 77.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.242 -0.435 . . . . 10.0 111.305 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 11.0 p -67.26 -41.4 85.6 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.386 -0.37 . . . . 10.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -62.72 -53.26 57.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.732 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 73.5 mt -60.7 -43.01 98.29 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.023 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -58.25 -53.97 52.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.338 -0.392 . . . . 10.0 110.868 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -67.76 -35.29 78.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.26 -0.427 . . . . 10.0 111.759 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -59.37 -43.45 92.87 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-O 121.021 0.438 . . . . 10.0 110.109 179.03 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 7.4 m -65.71 -19.42 65.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.683 -0.69 . . . . 10.0 110.985 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 82.3 mttt -90.6 -36.71 14.26 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.223 -0.444 . . . . 10.0 109.973 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 8.9 mptt -75.36 -20.63 58.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.715 -0.675 . . . . 10.0 110.618 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 72.2 mt -120.17 32.79 5.86 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.688 -0.687 . . . . 10.0 109.234 178.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 . . . . . 0 C--N 1.324 -0.525 0 CA-C-N 115.42 -0.809 . . . . 10.0 111.26 -179.02 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 15.0 m . . . . . 0 C--O 1.232 0.158 0 CA-C-O 121.076 0.465 . . . . 10.0 110.507 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -102.38 157.41 16.93 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.292 -0.632 . . . . 10.0 109.292 179.561 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -130.66 122.74 27.92 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.685 -0.487 . . . . 10.0 109.685 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 99.8 m-85 -121.35 118.89 30.61 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.931 0.396 . . . . 10.0 111.302 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 48.4 mttm -85.57 118.37 25.05 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.884 -0.598 . . . . 10.0 109.954 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 12.0 mt -118.22 122.59 43.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.357 -0.383 . . . . 10.0 111.098 -178.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 59.3 t -108.68 123.68 64.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 116.436 -0.347 . . . . 10.0 110.191 179.346 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 6.3 t -90.39 107.44 18.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 110.02 -0.363 . . . . 10.0 110.02 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 5.9 m -108.61 152.99 10.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.506 -179.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 152.75 -172.42 31.83 Favored Glycine 0 N--CA 1.445 -0.759 0 CA-C-N 115.526 -0.761 . . . . 10.0 111.446 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.94 -167.04 1.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.099 0.476 . . . . 10.0 111.543 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.5 144.46 30.91 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.846 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.24 3.22 85.24 Favored Glycine 0 N--CA 1.455 -0.099 0 CA-C-N 115.983 -0.553 . . . . 10.0 113.27 179.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 26.8 m -76.43 -19.84 15.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.692 0.282 . . . . 10.0 111.56 -179.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.8 19.88 8.85 Favored Glycine 0 C--N 1.33 0.216 0 C-N-CA 120.478 -0.868 . . . . 10.0 114.117 178.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 1.2 mtmp? -58.52 -34.68 71.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.147 0.499 . . . . 10.0 111.109 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 3.4 m -81.42 -42.59 20.16 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.978 -0.556 . . . . 10.0 110.085 179.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.42 -44.18 76.01 Favored 'General case' 0 C--O 1.234 0.278 0 O-C-N 123.57 0.544 . . . . 10.0 111.066 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 57.4 mt -64.75 -49.12 72.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.046 -0.525 . . . . 10.0 111.135 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 21.8 m -61.72 -42.96 99.65 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.324 -0.398 . . . . 10.0 111.936 -179.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.83 -31.46 53.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.989 0.423 . . . . 10.0 111.221 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -72.17 -14.5 61.83 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.355 -0.384 . . . . 10.0 111.165 179.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 17.6 tp -98.06 -40.33 8.48 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.977 0.418 . . . . 10.0 110.844 179.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 37.1 mm -77.21 -77.1 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.368 -179.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -77.01 -18.76 57.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.82 0.343 . . . . 10.0 111.074 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 66.22 41.17 3.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.885 -0.598 . . . . 10.0 112.564 178.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -140.98 156.47 46.04 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.436 -0.347 . . . . 10.0 110.102 178.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -105.68 138.29 42.11 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.676 0.275 . . . . 10.0 111.482 -179.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 6.7 m -119.85 141.93 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.784 179.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -100.53 -8.51 23.01 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.444 0.64 . . . . 10.0 109.874 179.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -80.44 129.05 34.26 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.116 -0.947 . . . . 10.0 109.931 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -82.22 114.45 20.73 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.96 0.409 . . . . 10.0 110.922 -179.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -117.75 101.16 52.34 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.494 179.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -57.93 106.8 0.27 Allowed 'Trans proline' 0 C--O 1.234 0.282 0 C-N-CA 122.797 2.331 . . . . 10.0 111.358 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.2 114.73 26.08 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 115.764 -0.653 . . . . 10.0 109.885 -179.645 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 38.4 mm -79.68 -49.31 19.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.108 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -170.86 87.44 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.514 -0.766 . . . . 10.0 109.188 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -123.5 139.28 54.17 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.566 -0.288 . . . . 10.0 110.791 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 19.5 p -124.4 157.45 35.08 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 111.937 0.347 . . . . 10.0 111.937 -179.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -135.86 152.38 50.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.443 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -118.8 123.7 45.42 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.158 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 52.6 tttp -138.27 144.82 40.69 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.487 -0.324 . . . . 10.0 110.147 179.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -109.44 123.41 49.32 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.409 -0.359 . . . . 10.0 110.159 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 3.3 m -131.28 162.28 39.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.41 -0.359 . . . . 10.0 110.975 -179.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 2.5 m -104.65 56.22 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 121.289 0.566 . . . . 10.0 111.212 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 20.3 mt -62.72 123.59 15.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.928 -0.578 . . . . 10.0 111.412 -179.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 64.14 16.58 10.11 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.41 -0.814 . . . . 10.0 112.349 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.76 6.22 62.35 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.781 -0.723 . . . . 10.0 112.905 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -120.9 125.36 47.26 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.686 0.279 . . . . 10.0 110.843 179.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.81 120.47 18.48 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.036 0.446 . . . . 10.0 110.204 179.366 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -136.55 153.19 51.06 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.495 -179.535 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 42.4 tp -98.03 129.43 44.89 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.922 -0.581 . . . . 10.0 109.691 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 19.9 mt -102.09 128.33 48.61 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.884 0.374 . . . . 10.0 111.537 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -106.61 83.83 1.92 Allowed 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.005 -1.109 . . . . 10.0 108.005 177.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 61.3 mt -87.56 128.21 40.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.251 -178.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 27.3 tp -122.08 118.6 29.12 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.263 -0.426 . . . . 10.0 111.228 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -98.09 109.5 22.25 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-O 121.118 0.485 . . . . 10.0 110.016 178.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.14 176.68 5.99 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.917 -0.583 . . . . 10.0 111.014 -179.693 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -80.6 151.24 29.17 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.189 0.519 . . . . 10.0 111.924 -178.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -117.88 23.4 9.42 Favored Glycine 0 N--CA 1.45 -0.426 0 N-CA-C 110.32 -1.112 . . . . 10.0 110.32 179.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -89.56 3.49 52.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.418 -0.391 . . . . 10.0 111.132 -179.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 61.83 -159.77 0.31 Allowed 'General case' 0 C--O 1.234 0.284 0 O-C-N 123.328 0.393 . . . . 10.0 110.075 -178.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 58.44 39.84 24.74 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.09 0.471 . . . . 10.0 110.266 179.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -145.17 41.56 1.27 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.866 -179.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.79 -47.06 77.77 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.49 0.552 . . . . 10.0 112.49 -179.358 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -74.75 -25.02 58.81 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.876 0.324 . . . . 10.0 111.876 -179.072 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 20.9 ttt -80.24 -41.18 25.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.981 0.42 . . . . 10.0 110.605 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 11.0 ttp180 -62.31 -34.04 75.83 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.85 -0.614 . . . . 10.0 111.574 -179.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.29 2.39 4.84 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.021 -0.536 . . . . 10.0 112.288 -179.472 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -100.3 -67.25 0.86 Allowed 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 111.968 0.359 . . . . 10.0 111.968 -179.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -62.56 -18.8 62.83 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 112.919 0.711 . . . . 10.0 112.919 -178.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 19.7 mtt -66.13 -26.35 67.41 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-O 121.142 0.496 . . . . 10.0 110.394 179.069 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 -72.25 -43.12 64.8 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.19 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.37 -40.26 62.21 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.891 -0.595 . . . . 10.0 111.973 -179.379 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -57.13 118.54 12.52 Favored Glycine 0 C--N 1.33 0.215 0 C-N-CA 121.177 -0.535 . . . . 10.0 113.826 -179.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -88.84 -38.06 14.89 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.24 0.543 . . . . 10.0 109.699 179.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -121.33 130.53 8.2 Favored Glycine 0 N--CA 1.448 -0.564 0 N-CA-C 110.864 -0.894 . . . . 10.0 110.864 179.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -109.9 121.7 45.85 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.079 0.466 . . . . 10.0 111.522 -179.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 21.6 tp -103.5 101.32 11.2 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.819 -0.628 . . . . 10.0 109.634 179.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 2.9 m -83.95 108.1 16.72 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.855 -179.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 40.8 t -103.79 124.06 57.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.611 -0.722 . . . . 10.0 110.43 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 34.6 p90 -124.23 163.44 21.59 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.108 179.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -101.93 124.5 47.65 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.859 -0.423 . . . . 10.0 109.859 179.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 29.3 pt -65.84 -15.5 18.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.829 0.347 . . . . 10.0 111.383 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 19.3 p-10 -102.13 8.41 40.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.762 -0.654 . . . . 10.0 110.563 179.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -134.96 103.75 5.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.024 0.44 . . . . 10.0 110.75 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.44 -39.93 85.18 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.596 0.591 . . . . 10.0 112.596 -179.304 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -53.87 -51.49 63.5 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.461 0.541 . . . . 10.0 112.461 -178.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 77.7 p -57.06 -40.56 77.07 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.962 0.727 . . . . 10.0 112.962 -179.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -66.57 -46.35 76.31 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.084 0.402 . . . . 10.0 112.084 -179.18 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -71.17 -31.71 68.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.857 0.36 . . . . 10.0 111.111 -179.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.6 -26.31 68.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.816 -0.629 . . . . 10.0 111.776 -179.336 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 51.5 mm -55.68 -35.83 40.41 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.889 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -63.36 -41.92 98.86 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.22 -0.445 . . . . 10.0 110.344 179.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 -63.67 -42.73 98.03 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.008 -0.542 . . . . 10.0 110.439 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -63.46 -41.85 98.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.605 -0.725 . . . . 10.0 110.298 179.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -57.64 -47.69 81.54 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.815 -0.63 . . . . 10.0 111.849 -179.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -63.02 -36.25 82.95 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.576 -0.284 . . . . 10.0 111.455 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -68.24 -41.38 81.27 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 121.014 -0.274 . . . . 10.0 110.297 179.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 97.9 mt -56.94 -45.75 83.68 Favored 'Isoleucine or valine' 0 C--O 1.239 0.515 0 CA-C-O 121.021 0.439 . . . . 10.0 110.222 179.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 15.6 mtmt -68.32 -16.17 63.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.537 -0.756 . . . . 10.0 111.829 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? -92.63 -37.39 12.45 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.893 0.378 . . . . 10.0 110.835 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 49.8 t -71.06 -48.0 58.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.779 0.323 . . . . 10.0 110.848 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . 0.437 ' C ' ' H ' ' B' ' 106' ' ' SER . 21.9 mtpp -88.43 -17.25 30.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.398 -0.365 . . . . 10.0 110.865 -179.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 20.9 t70 71.57 -13.75 0.54 Allowed 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 115.662 -0.699 . . . . 10.0 112.513 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 106' ' ' SER . . . . . 0.437 ' H ' ' C ' ' B' ' 104' ' ' LYS . 23.2 t -71.07 145.75 49.7 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.971 -0.559 . . . . 10.0 112.253 -178.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -84.18 -40.99 17.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.393 0.616 . . . . 10.0 109.63 178.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -97.01 122.96 40.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.738 -0.664 . . . . 10.0 109.719 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 78.6 t -135.55 130.86 19.1 Favored Pre-proline 0 C--N 1.324 -0.536 0 N-CA-C 110.056 -0.349 . . . . 10.0 110.056 -179.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -66.69 105.68 0.97 Allowed 'Trans proline' 0 C--O 1.235 0.339 0 C-N-CA 122.719 2.279 . . . . 10.0 111.706 179.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 50.3 mtm -137.35 147.62 45.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.163 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 84.3 t -129.88 133.44 64.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 109.141 -0.688 . . . . 10.0 109.141 178.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 19.4 tp -95.92 111.65 23.58 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.723 -0.473 . . . . 10.0 109.723 -179.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 4.0 m -115.9 123.28 71.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.133 0.492 . . . . 10.0 112.144 -179.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -95.7 112.17 4.36 Favored Glycine 0 N--CA 1.443 -0.845 0 N-CA-C 109.56 -1.416 . . . . 10.0 109.56 178.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -93.06 160.03 15.04 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 112.003 0.372 . . . . 10.0 112.003 -178.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 82.1 mttt 68.39 35.14 3.48 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.733 0.642 . . . . 10.0 112.733 179.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 34.7 m -67.22 2.99 1.33 Allowed 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 112.847 0.684 . . . . 10.0 112.847 179.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -97.1 -7.89 31.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.931 0.396 . . . . 10.0 109.974 178.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 15.2 mt -74.88 132.03 78.15 Favored Pre-proline 0 C--O 1.236 0.378 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.857 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -73.82 143.96 34.13 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.888 2.392 . . . . 10.0 111.298 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 1.5 m 58.61 80.98 0.17 Allowed 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.094 0.473 . . . . 10.0 111.738 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 17.8 ptp180 -86.27 150.75 24.14 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.295 -0.411 . . . . 10.0 111.35 -179.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 10.8 m -80.55 -53.86 6.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.913 0.387 . . . . 10.0 110.384 179.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 72.3 t -87.06 104.14 13.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.13 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -69.03 154.16 42.54 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.798 -0.637 . . . . 10.0 109.923 179.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.99 -35.12 70.77 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.488 -0.324 . . . . 10.0 110.717 179.714 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 10.5 ptmm? -52.28 -39.22 60.18 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 115.469 -0.787 . . . . 10.0 112.899 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -92.08 -33.54 14.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.777 0.322 . . . . 10.0 111.683 -179.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.4 -39.83 94.62 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.928 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -77.17 -34.16 56.4 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.158 -0.474 . . . . 10.0 111.418 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -63.15 -41.62 99.31 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.014 0.435 . . . . 10.0 111.415 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 34.1 tp -64.31 -48.62 74.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.028 0.442 . . . . 10.0 109.873 179.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.1 -35.09 77.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.664 -0.698 . . . . 10.0 110.208 179.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 6.2 tmm_? -64.1 -40.44 96.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.831 -0.622 . . . . 10.0 109.903 179.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 32.2 m -72.7 -32.74 65.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.276 -0.42 . . . . 10.0 110.839 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 4.6 m-30 -79.36 -21.29 45.97 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.238 -0.437 . . . . 10.0 111.216 179.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 76.91 32.39 49.77 Favored Glycine 0 N--CA 1.45 -0.396 0 N-CA-C 111.422 -0.671 . . . . 10.0 111.422 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 46.9 pt -118.09 158.62 45.73 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 115.746 -0.227 . . . . 10.0 110.688 -179.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -78.4 131.99 10.94 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 122.866 2.377 . . . . 10.0 111.991 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -105.31 130.98 53.32 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.115 -0.493 . . . . 10.0 109.685 178.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 58.2 mt -128.71 129.39 68.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 111.968 0.358 . . . . 10.0 111.968 -179.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -89.61 125.93 35.43 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 107.207 -1.405 . . . . 10.0 107.207 177.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -142.45 -177.61 5.36 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 113.57 0.952 . . . . 10.0 113.57 -177.392 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 20.8 t -168.84 121.29 0.79 Allowed 'General case' 0 C--O 1.24 0.557 0 CA-C-N 114.92 -1.036 . . . . 10.0 109.142 179.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -70.84 -23.0 62.25 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.094 0.473 . . . . 10.0 110.067 -179.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 28.3 tttt -73.44 -46.73 46.72 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.636 -0.711 . . . . 10.0 110.974 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -78.26 -15.14 59.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.596 -0.274 . . . . 10.0 111.472 -179.704 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.54 38.95 18.62 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 121.226 0.536 . . . . 10.0 110.22 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -112.22 126.65 55.46 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.392 -0.822 . . . . 10.0 111.1 -179.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 70.27 16.2 73.09 Favored Glycine 0 N--CA 1.452 -0.298 0 CA-C-N 116.084 -0.507 . . . . 10.0 113.033 179.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 86.5 t -59.08 -60.94 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.93 0.395 . . . . 10.0 110.909 -179.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -69.55 -30.8 68.68 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.85 -0.614 . . . . 10.0 110.573 -179.306 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.97 -37.23 73.8 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.059 -0.519 . . . . 10.0 111.773 -179.238 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -63.15 -50.53 70.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.361 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -67.34 -39.97 85.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.927 -0.579 . . . . 10.0 110.719 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -58.07 -47.59 82.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.723 179.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 65.5 m -64.15 -40.44 96.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.833 -0.622 . . . . 10.0 111.231 179.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 61.9 tp -58.87 -50.04 75.5 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.337 -0.392 . . . . 10.0 111.001 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.8 -42.13 91.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.212 0.529 . . . . 10.0 110.371 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 9.8 ttp180 -62.46 -32.73 73.65 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.795 -0.639 . . . . 10.0 110.996 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -68.81 -34.81 76.14 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.938 0.399 . . . . 10.0 110.088 178.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 55.5 mt -67.5 -38.92 81.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 108.525 -0.917 . . . . 10.0 108.525 178.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 72.8 mtt180 -60.81 -40.65 93.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.456 -0.793 . . . . 10.0 108.979 178.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt . . . . . 0 N--CA 1.453 -0.324 0 CA-C-N 115.283 -0.871 . . . . 10.0 110.049 178.856 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 CA--C 1.532 0.267 0 CA-C-O 121.056 0.455 . . . . 10.0 110.511 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.59 136.69 33.01 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.944 -0.571 . . . . 10.0 109.522 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -106.14 130.42 54.03 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.873 0.368 . . . . 10.0 111.385 -179.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -120.01 117.81 29.0 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.147 -0.479 . . . . 10.0 109.841 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -90.63 117.39 29.25 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.864 0.364 . . . . 10.0 110.304 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -127.19 137.07 52.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.084 0.469 . . . . 10.0 111.037 -178.511 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 24.9 t -118.46 132.28 68.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.382 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 10.6 t -91.6 129.59 42.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 109.949 -0.389 . . . . 10.0 109.949 179.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 8.8 m -119.45 165.75 14.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.054 0.454 . . . . 10.0 111.381 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 131.68 163.61 10.86 Favored Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 111.202 -0.759 . . . . 10.0 111.202 -179.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.44 176.93 4.94 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.099 0.476 . . . . 10.0 111.088 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -79.17 144.9 34.02 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.151 0.5 . . . . 10.0 110.769 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 87.29 -2.01 86.45 Favored Glycine 0 N--CA 1.448 -0.502 0 CA-C-N 115.821 -0.627 . . . . 10.0 113.744 179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 20.2 m -75.1 -28.97 21.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 117.681 0.741 . . . . 10.0 112.216 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 117.93 14.72 6.53 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.549 -0.834 . . . . 10.0 113.714 178.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -53.81 -58.9 5.55 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.157 0.428 . . . . 10.0 112.157 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 16.4 m -66.39 -33.21 75.2 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.776 0.658 . . . . 10.0 112.776 -178.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.33 -40.04 85.07 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.644 -0.502 . . . . 10.0 109.644 179.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 90.5 mt -68.78 -40.06 79.85 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 115.698 -0.683 . . . . 10.0 110.681 179.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.0 -43.69 86.98 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.449 -0.341 . . . . 10.0 110.597 179.739 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 86.0 mt -64.68 -38.67 83.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.401 -0.363 . . . . 10.0 111.314 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -66.76 -25.84 66.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.183 0.516 . . . . 10.0 110.895 179.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 16.2 tp -87.49 -43.68 11.87 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.004 -0.544 . . . . 10.0 111.185 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 44.4 mm -80.19 -68.11 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 112.483 0.549 . . . . 10.0 112.483 -178.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -78.87 -24.95 43.93 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.115 0.413 . . . . 10.0 112.115 -178.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 66.8 t30 72.96 51.36 0.14 Allowed 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 113.053 0.761 . . . . 10.0 113.053 178.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 9.6 p80 -157.36 164.71 37.28 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.01 178.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -101.56 141.97 33.63 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 120.941 0.401 . . . . 10.0 111.089 -179.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 3.7 m -108.25 131.73 57.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.46 179.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -98.24 -8.31 27.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.684 0.754 . . . . 10.0 109.873 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -95.69 143.31 27.07 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.391 -0.822 . . . . 10.0 110.775 -179.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -78.57 122.37 25.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.334 -0.394 . . . . 10.0 110.477 179.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -111.87 103.86 55.56 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 120.739 0.304 . . . . 10.0 111.586 -179.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -80.43 67.55 8.59 Favored 'Trans proline' 0 CA--C 1.532 0.379 0 C-N-CA 123.176 2.584 . . . . 10.0 111.769 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.2 130.3 41.1 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.196 -0.456 . . . . 10.0 111.282 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 48.1 mm -87.02 -40.02 13.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 109.372 -0.603 . . . . 10.0 109.372 179.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -172.45 104.76 0.16 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.387 -0.824 . . . . 10.0 109.826 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -130.23 136.8 49.6 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.899 -0.408 . . . . 10.0 109.899 179.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 2.9 p -114.58 134.74 54.81 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 112.136 0.421 . . . . 10.0 112.136 -178.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -125.52 143.63 50.92 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.681 -0.69 . . . . 10.0 110.122 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -127.54 134.87 49.74 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.356 -0.384 . . . . 10.0 110.469 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 54.9 tttt -149.04 140.16 23.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.425 179.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -93.81 120.53 34.2 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.548 -0.538 . . . . 10.0 109.548 179.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 18.6 m -130.9 162.39 39.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.283 0.563 . . . . 10.0 111.389 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 21.1 t -105.81 108.66 25.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.738 -0.664 . . . . 10.0 109.412 179.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 46' ' ' ILE . . . . . 0.415 ' C ' ' H ' ' C' ' 48' ' ' GLY . 63.6 mt -114.63 116.93 54.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.163 -0.471 . . . . 10.0 110.746 -179.192 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 71.57 -11.08 0.76 Allowed 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 115.647 -0.706 . . . . 10.0 112.011 179.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 48' ' ' GLY . . . . . 0.415 ' H ' ' C ' ' C' ' 46' ' ' ILE . . . 129.38 -16.43 5.69 Favored Glycine 0 N--CA 1.449 -0.445 0 N-CA-C 111.348 -0.701 . . . . 10.0 111.348 -179.26 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -94.55 122.63 37.33 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-O 120.747 0.308 . . . . 10.0 110.466 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -73.04 117.51 14.85 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.094 -0.706 . . . . 10.0 109.094 179.079 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -129.35 153.8 47.52 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 112.623 0.601 . . . . 10.0 112.623 -178.171 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 60.3 tp -101.82 124.08 46.85 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.095 -0.957 . . . . 10.0 108.908 178.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 37.1 mt -96.89 122.22 39.63 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 112.51 0.559 . . . . 10.0 112.51 -179.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -103.09 93.01 4.78 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.613 -1.254 . . . . 10.0 107.613 177.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 1.1 mp -100.18 131.57 47.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.506 -0.316 . . . . 10.0 111.834 -178.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 32.0 tp -118.54 121.24 39.77 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.124 -0.489 . . . . 10.0 111.179 179.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -97.32 104.81 16.87 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.037 -0.727 . . . . 10.0 109.037 178.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 28.6 p -95.75 156.6 16.26 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.619 -0.264 . . . . 10.0 110.612 -179.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.48 138.13 58.25 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.089 0.471 . . . . 10.0 110.954 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -98.79 23.8 34.85 Favored Glycine 0 N--CA 1.448 -0.535 0 N-CA-C 111.272 -0.731 . . . . 10.0 111.272 179.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -83.62 -1.55 54.16 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 111.588 0.218 . . . . 10.0 111.588 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 58.32 -160.7 0.26 Allowed 'General case' 0 C--O 1.233 0.226 0 N-CA-C 112.275 0.472 . . . . 10.0 112.275 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 77.58 -16.71 0.63 Allowed 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.365 0.666 . . . . 10.0 111.476 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -77.64 73.26 4.21 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.035 -0.53 . . . . 10.0 111.207 -179.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 1.8 p -76.4 -16.49 59.7 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.056 -0.52 . . . . 10.0 111.843 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -116.35 -36.97 3.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.488 -0.324 . . . . 10.0 111.504 -179.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 20.6 ttt -64.5 -28.83 69.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.045 0.45 . . . . 10.0 110.601 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 68' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -62.11 -43.33 99.07 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.894 -0.594 . . . . 10.0 111.907 -179.014 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -57.49 -36.23 71.24 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.3 -0.409 . . . . 10.0 110.999 -179.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -55.54 -56.31 21.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.842 -0.617 . . . . 10.0 112.366 -179.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 71' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -79.51 -24.33 42.32 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 113.697 0.999 . . . . 10.0 113.697 -178.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 27.3 mtt -69.13 -36.15 77.16 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.113 0.482 . . . . 10.0 110.423 179.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 29.5 ttm105 -73.2 -35.0 66.27 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.352 0.596 . . . . 10.0 110.411 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 6.3 m -76.27 -48.04 21.63 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.305 -0.862 . . . . 10.0 112.874 -178.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.74 148.87 51.48 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 121.376 -0.44 . . . . 10.0 113.856 -178.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -102.01 -41.17 6.54 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.227 0.537 . . . . 10.0 109.605 179.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -116.89 145.62 18.72 Favored Glycine 0 N--CA 1.447 -0.587 0 N-CA-C 110.712 -0.955 . . . . 10.0 110.712 178.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 78' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -121.14 126.34 49.49 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 117.194 0.497 . . . . 10.0 112.158 -179.015 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 13.6 tp -93.06 99.53 12.12 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.293 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 36.7 m -87.63 101.06 13.28 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.122 0.487 . . . . 10.0 110.551 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 40.4 t -109.99 136.32 46.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.855 -0.612 . . . . 10.0 110.036 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 35.8 p90 -132.06 149.97 52.27 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.929 0.395 . . . . 10.0 110.67 179.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -81.38 128.42 33.83 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.957 -0.565 . . . . 10.0 109.622 179.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 84' ' ' ILE . . . . . . . . . . . . . 1.5 pp -73.0 -10.79 14.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.954 0.407 . . . . 10.0 111.36 -179.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 21.0 p-10 -100.16 -1.6 36.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.295 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -133.68 112.59 11.54 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.203 0.525 . . . . 10.0 111.524 -179.269 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.6 -28.98 68.93 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.674 -0.694 . . . . 10.0 112.302 -179.311 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 26.0 tptp -57.81 -43.59 85.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.408 -0.36 . . . . 10.0 110.67 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -32.64 73.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.246 -0.434 . . . . 10.0 111.526 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -71.16 -33.29 69.89 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.843 0.354 . . . . 10.0 110.755 -179.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -79.24 -26.54 42.44 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.068 0.461 . . . . 10.0 110.515 179.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -67.27 -21.4 65.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.979 -0.555 . . . . 10.0 111.267 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 46.9 mm -57.75 -41.73 80.22 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-N 116.342 -0.39 . . . . 10.0 110.258 179.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -66.09 -44.01 85.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.224 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 55.1 m-70 -59.89 -42.04 92.92 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.101 0.477 . . . . 10.0 110.075 179.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -65.57 -49.74 67.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.677 -0.692 . . . . 10.0 110.344 179.06 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 18.6 ttt180 -54.24 -47.06 72.65 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.415 -0.812 . . . . 10.0 111.854 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -62.4 -35.29 78.75 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 116.305 -0.407 . . . . 10.0 111.899 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -75.82 -38.72 57.83 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.82 -0.352 . . . . 10.0 110.333 179.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 52.3 mt -56.52 -46.17 82.32 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 CA-C-N 116.01 -0.541 . . . . 10.0 109.943 179.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 27.5 mtmt -72.47 -25.19 61.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.722 -0.672 . . . . 10.0 111.198 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -75.17 -49.51 19.24 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.295 -179.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 42.2 t -66.1 -39.61 84.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.21 -0.45 . . . . 10.0 111.837 -179.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 5.8 tttp -87.08 -16.48 35.42 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.268 0.47 . . . . 10.0 112.268 -179.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 28.8 t70 60.56 56.67 3.0 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.442 0.639 . . . . 10.0 111.358 -179.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 1.9 t -166.93 143.93 4.68 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.763 -0.653 . . . . 10.0 110.222 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 -83.8 -37.19 22.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.94 0.4 . . . . 10.0 110.634 -179.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -86.75 105.84 17.25 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.972 -0.558 . . . . 10.0 111.355 -179.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 45.1 t -135.29 135.89 23.43 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.538 -0.756 . . . . 10.0 109.131 179.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_exo -64.38 106.74 0.74 Allowed 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.849 2.366 . . . . 10.0 111.427 179.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 111' ' ' MET . . . . . . . . . . . . . 57.4 mtm -142.02 144.86 33.84 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.635 -179.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 60.9 t -134.23 128.4 52.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 109.146 -0.687 . . . . 10.0 109.146 179.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 24.5 tp -82.74 121.6 27.1 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.152 -0.684 . . . . 10.0 109.152 179.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 21.7 t -115.9 129.91 71.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.003 0.43 . . . . 10.0 111.826 -178.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -109.91 123.8 6.9 Favored Glycine 0 N--CA 1.446 -0.66 0 N-CA-C 109.799 -1.32 . . . . 10.0 109.799 178.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -112.86 157.91 20.81 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.983 0.391 . . . . 10.0 111.311 -179.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt 71.86 29.59 2.43 Favored 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 123.295 0.638 . . . . 10.0 112.64 179.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 118' ' ' CYS . . . . . . . . . . . . . 68.2 m -72.73 -3.41 25.03 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.889 0.376 . . . . 10.0 111.762 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -85.87 -19.07 31.13 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.321 179.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 83.7 mt -85.35 143.5 39.18 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.653 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -78.02 172.66 15.18 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.748 2.299 . . . . 10.0 111.346 179.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 16.0 m 64.6 61.71 0.82 Allowed 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.2 0.524 . . . . 10.0 111.844 179.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -83.76 154.6 23.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.835 179.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 1.4 m -99.79 -48.39 4.72 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.145 -0.48 . . . . 10.0 111.787 -179.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 77.7 t -91.59 127.24 44.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.938 0.399 . . . . 10.0 110.713 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -70.75 142.19 51.44 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.361 -0.607 . . . . 10.0 109.361 179.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 7.5 m -56.78 -33.38 66.58 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.794 0.33 . . . . 10.0 110.575 179.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 30.8 mttp -63.35 -55.78 21.74 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 115.959 -0.564 . . . . 10.0 111.153 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -62.88 -31.99 73.15 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.81 0.338 . . . . 10.0 111.583 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.03 -47.16 72.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.078 179.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -71.9 -28.74 63.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.384 179.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -68.29 -42.03 80.11 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.319 178.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 10.3 tp -59.6 -44.53 93.35 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 109.291 -0.633 . . . . 10.0 109.291 179.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.84 -37.39 87.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.626 -0.715 . . . . 10.0 110.068 179.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -60.91 -39.68 90.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.662 -0.699 . . . . 10.0 110.316 179.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 17.1 m -69.84 -26.24 64.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.701 -0.681 . . . . 10.0 111.39 -179.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 23.4 m-30 -90.8 -14.38 32.03 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.971 0.415 . . . . 10.0 110.692 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 76.41 31.05 55.74 Favored Glycine 0 N--CA 1.451 -0.35 0 N-CA-C 110.736 -0.946 . . . . 10.0 110.736 -178.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 47.4 pt -126.24 162.56 45.41 Favored Pre-proline 0 C--N 1.327 -0.384 0 N-CA-C 109.902 -0.407 . . . . 10.0 109.902 -179.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -87.04 155.49 8.43 Favored 'Trans proline' 0 CA--C 1.533 0.453 0 C-N-CA 122.456 2.104 . . . . 10.0 112.801 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -136.42 122.34 20.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.9 -0.591 . . . . 10.0 109.556 178.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 3.6 mp -124.98 130.0 73.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 120.885 0.374 . . . . 10.0 111.346 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -80.83 131.73 35.42 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 108.91 -0.774 . . . . 10.0 108.91 178.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 77.3 p -134.86 176.41 8.68 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.274 0.559 . . . . 10.0 112.055 -177.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 12.7 t -151.89 117.24 5.3 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.29 -0.868 . . . . 10.0 108.865 178.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.61 -24.69 61.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.099 0.475 . . . . 10.0 110.433 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -65.82 -48.68 70.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.621 -0.718 . . . . 10.0 110.573 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 26.8 p -90.21 -15.84 30.63 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.922 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 23.1 ttt-85 62.71 44.48 6.54 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 115.364 -0.835 . . . . 10.0 111.023 -179.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -112.71 113.75 26.01 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.002 -0.545 . . . . 10.0 110.522 -179.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 94.14 -18.98 55.72 Favored Glycine 0 CA--C 1.518 0.226 0 C-N-CA 121.058 -0.591 . . . . 10.0 112.855 179.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 13.3 t -60.39 -40.22 83.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.72 0.295 . . . . 10.0 111.417 -179.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.12 -52.32 63.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.25 0.548 . . . . 10.0 110.699 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -66.01 -30.01 70.47 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.622 -0.717 . . . . 10.0 112.07 -178.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -57.13 -42.05 80.19 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.988 0.423 . . . . 10.0 110.494 179.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -68.76 -39.82 80.05 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.818 -0.628 . . . . 10.0 109.917 179.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 8.6 m-30 -64.71 -36.81 85.49 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.866 -0.606 . . . . 10.0 110.636 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 31.9 m -60.16 -42.56 95.17 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 116.187 -0.46 . . . . 10.0 111.074 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 17.6 tp -61.14 -39.91 91.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.175 0.512 . . . . 10.0 109.746 179.189 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 79.7 t -66.72 -40.0 85.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.643 -0.708 . . . . 10.0 109.541 178.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.01 -38.85 87.53 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.592 -0.731 . . . . 10.0 109.783 179.021 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 162' ' ' GLU . . . . . 0.41 ' CD ' ' HZ1' ' C' ' 165' ' ' LYS . 26.2 mm-40 -67.51 -39.92 85.14 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.732 -0.667 . . . . 10.0 110.685 179.079 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 97.9 mt -62.27 -43.6 98.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 N-CA-C 109.058 -0.719 . . . . 10.0 109.058 178.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -62.66 -44.5 96.11 Favored 'General case' 0 C--O 1.232 0.175 0 N-CA-C 109.056 -0.72 . . . . 10.0 109.056 178.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 165' ' ' LYS . . . . . 0.41 ' HZ1' ' CD ' ' C' ' 162' ' ' GLU . 29.2 ttmt -58.92 -49.53 77.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.116 -0.947 . . . . 10.0 110.502 179.321 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -57.63 -51.54 69.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.789 -0.642 . . . . 10.0 111.382 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 98.7 mttt . . . . . 0 C--N 1.327 -0.397 0 N-CA-C 112.583 0.586 . . . . 10.0 112.583 -179.373 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 6.1 tmtm? . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.747 0.308 . . . . 10.0 110.991 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 74.2 mt -63.93 -33.85 76.64 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.315 -0.402 . . . . 10.0 110.427 179.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 1.7 mt -67.9 -46.7 70.87 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.508 -0.769 . . . . 10.0 111.112 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -66.67 -45.35 79.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.992 0.425 . . . . 10.0 111.288 -179.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -66.35 -28.61 68.8 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.118 -0.492 . . . . 10.0 111.31 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 15.1 t90 -63.4 -34.66 78.22 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.06 0.457 . . . . 10.0 109.902 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -67.86 -38.91 83.72 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.287 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 2.0 m -64.6 -32.64 74.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.292 0.568 . . . . 10.0 110.136 179.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 48.1 t -75.98 -45.35 37.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.892 -0.594 . . . . 10.0 110.013 179.241 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 9.9 m -60.63 -43.8 97.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.569 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 3.4 p -62.31 -37.99 87.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.955 0.407 . . . . 10.0 110.205 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 84.8 m -66.56 -40.8 89.17 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.908 -0.587 . . . . 10.0 109.522 178.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -61.71 -41.83 98.12 Favored 'General case' 0 C--O 1.224 -0.25 0 N-CA-C 109.648 -0.501 . . . . 10.0 109.648 178.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 24.3 m -62.32 -45.99 90.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.991 -0.55 . . . . 10.0 109.799 178.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -61.29 -40.21 93.29 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.302 -0.408 . . . . 10.0 109.983 178.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 80.7 mt -65.34 -42.09 93.25 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-N 115.72 -0.673 . . . . 10.0 110.028 179.256 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 88.1 mtt180 -65.74 -35.44 80.75 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.321 -0.4 . . . . 10.0 110.948 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -67.24 -36.3 81.35 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.642 -0.503 . . . . 10.0 109.642 178.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -76.74 -31.92 57.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.824 -0.626 . . . . 10.0 110.171 179.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 33.2 mt -53.84 -36.94 63.1 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.123 179.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -55.12 -70.39 0.98 Allowed Glycine 0 C--N 1.33 0.241 0 N-CA-C 111.121 -0.792 . . . . 10.0 111.121 178.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -51.3 -41.71 57.62 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.629 2.219 . . . . 10.0 111.778 178.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 54.3 t -57.16 -53.32 44.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-N 116.523 -0.308 . . . . 10.0 111.123 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 11.0 p -65.14 -36.82 85.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.884 0.374 . . . . 10.0 110.996 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -62.41 -49.55 75.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 10.0 110.492 179.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -66.99 -47.49 71.36 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.331 179.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -57.24 -50.95 71.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 10.0 111.585 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -66.16 -34.83 78.93 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.952 0.158 . . . . 10.0 111.358 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -63.14 -46.62 86.36 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.52 -0.548 . . . . 10.0 109.52 178.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -72.6 -34.7 67.57 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.756 -0.656 . . . . 10.0 110.755 178.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 21.0 mt -62.9 -42.2 99.7 Favored 'General case' 0 CA--C 1.52 -0.208 0 N-CA-C 109.773 -0.454 . . . . 10.0 109.773 178.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -64.11 -33.65 76.26 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.307 178.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -66.39 -45.52 79.74 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 108.611 -0.885 . . . . 10.0 108.611 177.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.41 -46.05 91.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.319 -0.855 . . . . 10.0 109.389 178.566 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 2.9 m -67.49 -37.11 82.35 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.831 -0.622 . . . . 10.0 110.735 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -62.41 -44.33 96.68 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 108.766 -0.828 . . . . 10.0 108.766 178.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -61.58 -41.48 99.58 Favored Glycine 0 N--CA 1.445 -0.702 0 N-CA-C 110.233 -1.147 . . . . 10.0 110.233 178.117 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 84.1 mt -65.68 -32.18 73.6 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.757 0.313 . . . . 10.0 110.573 179.032 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 56.5 mtt180 -70.24 -41.73 73.15 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.896 -0.779 . . . . 10.0 108.896 178.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -66.81 -41.95 86.69 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.652 -0.87 . . . . 10.0 108.652 178.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -64.31 -32.64 74.32 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 115.468 -0.787 . . . . 10.0 110.265 178.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 54.2 ttm -54.26 -31.43 53.59 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 122.925 0.49 . . . . 10.0 111.36 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -65.14 -7.1 10.96 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.19 0.519 . . . . 10.0 110.637 179.512 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -130.95 -52.32 1.05 Allowed 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.914 -0.584 . . . . 10.0 110.01 179.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 246' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -60.86 -13.43 15.54 Favored 'General case' 0 C--O 1.225 -0.21 0 N-CA-C 113.002 0.741 . . . . 10.0 113.002 -179.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . 18.8 mt -132.06 -46.88 0.93 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.771 0.32 . . . . 10.0 110.707 178.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -63.99 -39.97 95.32 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.244 0.461 . . . . 10.0 112.244 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -72.39 -29.05 63.4 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.472 -0.566 . . . . 10.0 109.472 179.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 250' ' ' VAL . . . . . . . . . . . . . 71.9 t -64.17 -44.22 97.5 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.308 0 N-CA-C 108.775 -0.824 . . . . 10.0 108.775 178.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -69.98 -37.19 75.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.306 178.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -64.34 -49.39 71.89 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.196 -0.457 . . . . 10.0 110.707 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -81.75 -10.25 59.41 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.194 0.442 . . . . 10.0 112.194 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 254' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.72 -30.75 50.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 120.609 0.243 . . . . 10.0 110.629 179.711 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -62.89 -63.35 4.26 Favored Pre-proline 0 N--CA 1.451 -0.397 0 CA-C-N 116.167 -0.47 . . . . 10.0 110.757 179.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -61.14 -36.24 82.05 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 121.807 1.671 . . . . 10.0 112.247 179.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 4.8 m-30 -62.83 -57.96 9.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.351 -0.386 . . . . 10.0 111.216 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 52.9 mt -67.83 -37.28 81.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.15 -0.477 . . . . 10.0 111.471 -179.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -63.26 -41.31 99.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.543 0.211 . . . . 10.0 110.859 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -69.42 -44.14 71.95 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.992 0.425 . . . . 10.0 110.073 179.282 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 1.5 m-30 -63.82 -43.4 96.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.757 -0.656 . . . . 10.0 110.233 178.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -66.96 -39.48 87.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.147 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 15.1 ttmt -59.21 -51.25 70.77 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.496 -0.557 . . . . 10.0 109.496 179.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 264' ' ' LYS . . . . . . . . . . . . . 69.0 mttt -66.08 -36.64 83.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.697 -0.683 . . . . 10.0 110.249 179.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -62.02 -40.25 95.05 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 109.502 -0.555 . . . . 10.0 109.502 178.707 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -60.99 -47.35 86.85 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 115.734 -0.666 . . . . 10.0 109.216 178.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -62.65 -40.36 96.8 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 115.792 -0.64 . . . . 10.0 109.766 178.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -59.01 -43.92 91.62 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.975 -0.557 . . . . 10.0 109.897 178.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 85.7 mmm -68.92 -38.64 79.67 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.503 -0.771 . . . . 10.0 110.318 179.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -62.4 -50.66 70.63 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.69 -0.485 . . . . 10.0 109.69 179.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 70.0 mt -61.58 -34.78 76.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.218 179.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -69.08 -40.02 78.71 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.399 -0.364 . . . . 10.0 110.526 179.087 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 84.9 mtt180 -74.96 -42.94 56.65 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.978 -0.556 . . . . 10.0 111.417 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -63.21 -23.75 67.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.959 -0.564 . . . . 10.0 111.159 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 275' ' ' LYS . . . . . . . . . . . . . 8.3 mptt -98.63 -35.33 10.23 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.027 -0.533 . . . . 10.0 111.347 179.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 4.3 p -60.31 -33.34 53.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 112.698 0.629 . . . . 10.0 112.698 -179.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -62.39 -60.98 8.47 Favored Pre-proline 0 CA--C 1.533 0.302 0 C-N-CA 120.904 -0.318 . . . . 10.0 111.555 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -62.93 -36.96 57.33 Favored 'Trans proline' 0 C--N 1.355 0.878 0 C-N-CA 121.841 1.694 . . . . 10.0 111.614 178.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 14.4 mt -62.58 -43.98 97.47 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-O 120.755 0.312 . . . . 10.0 110.386 179.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -63.46 -30.28 71.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 10.0 109.926 178.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -69.87 -44.89 68.89 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.174 -0.676 . . . . 10.0 109.174 178.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -63.21 -40.24 96.9 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 109.224 -0.658 . . . . 10.0 109.224 178.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 65.4 mt -64.02 -44.68 91.84 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.746 -0.661 . . . . 10.0 110.326 178.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -63.35 -52.19 62.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.055 -0.521 . . . . 10.0 110.626 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -61.69 -40.79 96.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.757 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -63.65 -43.42 97.95 Favored Glycine 0 N--CA 1.446 -0.663 0 N-CA-C 110.141 -1.184 . . . . 10.0 110.141 178.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -61.96 -38.49 88.7 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 110.228 -0.286 . . . . 10.0 110.228 178.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -53.47 -54.01 43.21 Favored 'General case' 0 CA--C 1.519 -0.215 0 N-CA-C 109.306 -0.628 . . . . 10.0 109.306 179.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -65.76 -48.73 70.9 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.925 -1.034 . . . . 10.0 111.246 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 60.5 mttt -59.13 -47.5 85.05 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.404 0.52 . . . . 10.0 112.404 -179.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 77.0 mt -68.5 -35.98 78.26 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.753 0.311 . . . . 10.0 110.248 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -63.77 -40.02 95.68 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.104 -0.702 . . . . 10.0 109.104 178.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.08 -35.35 78.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.729 -0.669 . . . . 10.0 109.754 178.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 84.8 mt -73.93 -40.39 63.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.286 178.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -61.15 -37.58 83.36 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.263 0.554 . . . . 10.0 109.946 179.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -72.86 5.42 3.25 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.75 -0.659 . . . . 10.0 111.627 179.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . 0.479 ' HZ2' ' CD ' ' D' ' 480' ' ' GLU . 9.1 mmtp -124.4 -39.73 2.3 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.091 -0.504 . . . . 10.0 109.704 178.126 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 61.3 mt -65.78 -23.98 66.83 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.09 -0.505 . . . . 10.0 111.367 179.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 299' ' ' SER . . . . . . . . . . . . . 16.0 m -85.34 -63.45 0.23 Allowed Pre-proline 0 C--N 1.322 -0.6 0 N-CA-C 112.186 0.439 . . . . 10.0 112.186 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 300' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -63.39 -52.58 1.88 Allowed 'Trans proline' 0 C--N 1.355 0.904 0 C-N-CA 121.733 1.622 . . . . 10.0 111.932 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 96.7 mt -71.13 -22.57 62.05 Favored 'General case' 0 C--O 1.224 -0.275 0 N-CA-C 109.93 -0.396 . . . . 10.0 109.93 179.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -72.92 -49.73 15.97 Favored Glycine 0 N--CA 1.451 -0.311 0 N-CA-C 110.632 -0.987 . . . . 10.0 110.632 178.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -62.49 -41.45 98.82 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.019 -0.734 . . . . 10.0 109.019 178.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -64.59 -40.86 96.29 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.449 -0.796 . . . . 10.0 109.508 178.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 14.3 tpt -62.22 -44.24 97.01 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.833 -0.432 . . . . 10.0 109.833 179.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 63.1 mtt180 -67.62 -32.01 72.42 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.833 -0.621 . . . . 10.0 110.177 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -73.48 -43.67 59.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 10.0 109.778 179.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 20.2 mmt180 -64.27 -34.3 77.79 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.932 -0.766 . . . . 10.0 108.932 177.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -64.16 -33.16 75.14 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.009 -0.737 . . . . 10.0 109.009 177.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 310' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 -60.83 -50.24 74.23 Favored 'General case' 0 C--O 1.225 -0.193 0 N-CA-C 108.536 -0.912 . . . . 10.0 108.536 178.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -64.62 -40.1 94.89 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.465 -0.789 . . . . 10.0 110.073 179.264 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -59.19 -51.56 69.45 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.189 179.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 89.2 t -68.53 -40.44 82.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.879 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -60.14 -46.75 88.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.881 0.372 . . . . 10.0 110.292 179.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -63.15 -40.57 97.95 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.9 -0.591 . . . . 10.0 109.996 179.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 20.9 mt -65.7 -44.08 87.22 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.43 179.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 19.2 ttm105 -61.46 -46.56 89.52 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.296 -0.411 . . . . 10.0 110.413 179.338 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 5.1 m -66.67 -18.98 65.65 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.661 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -91.16 -38.54 12.67 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.552 -0.536 . . . . 10.0 109.552 179.377 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 93.2 mt -70.46 -32.22 69.69 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.842 -0.617 . . . . 10.0 111.878 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -50.39 -59.64 6.82 Favored Pre-proline 0 CA--C 1.537 0.458 0 N-CA-C 112.418 0.525 . . . . 10.0 112.418 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -70.17 -26.81 25.26 Favored 'Trans proline' 0 C--N 1.355 0.918 0 C-N-CA 121.831 1.687 . . . . 10.0 111.846 179.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 15.5 m-30 -68.76 -48.07 64.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.479 -0.328 . . . . 10.0 110.672 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 7.0 p -69.0 -31.96 71.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.294 0.568 . . . . 10.0 110.151 179.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -63.58 -49.62 72.66 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.016 -0.735 . . . . 10.0 109.016 178.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -69.47 -29.29 66.93 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.41 -0.813 . . . . 10.0 109.315 178.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.81 -35.69 75.21 Favored 'General case' 0 CA--C 1.52 -0.185 0 N-CA-C 109.138 -0.69 . . . . 10.0 109.138 178.422 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 67.2 mtt180 -63.32 -40.93 98.71 Favored 'General case' 0 CA--C 1.518 -0.287 0 N-CA-C 108.899 -0.778 . . . . 10.0 108.899 178.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -67.75 -36.95 81.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.54 -0.755 . . . . 10.0 109.422 179.044 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -64.87 -53.95 38.57 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-N 115.508 -0.769 . . . . 10.0 109.709 178.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 84.7 mt -58.18 -45.73 87.01 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.717 -0.674 . . . . 10.0 110.537 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -59.56 -50.75 72.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.344 179.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -61.84 -47.33 85.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.515 -0.312 . . . . 10.0 110.973 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 15.1 mmt180 -60.64 -48.88 79.81 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.781 179.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 62.6 mt -66.37 -34.48 78.06 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 112.023 0.379 . . . . 10.0 112.023 -179.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -68.72 -39.01 80.64 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.738 -0.467 . . . . 10.0 109.738 178.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -65.09 -40.8 95.13 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 108.041 -1.096 . . . . 10.0 108.041 177.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 42.7 mt -66.13 -24.94 66.77 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-N 115.286 -0.87 . . . . 10.0 110.885 178.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 48.9 mttt -80.63 -48.63 12.37 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.81 0.338 . . . . 10.0 110.584 179.241 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -64.93 -55.12 21.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.282 179.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -68.75 -39.69 80.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.224 179.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -61.76 -39.36 97.34 Favored Glycine 0 N--CA 1.453 -0.219 0 N-CA-C 111.278 -0.729 . . . . 10.0 111.278 179.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -63.04 -41.51 99.83 Favored Glycine 0 N--CA 1.446 -0.669 0 N-CA-C 110.573 -1.011 . . . . 10.0 110.573 178.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -66.42 -43.83 84.61 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 108.946 -0.761 . . . . 10.0 108.946 178.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 29.8 mtm180 -59.28 -43.72 92.52 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.831 178.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 30.6 mt -62.75 -46.52 87.66 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.015 178.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.69 -42.74 89.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.0 -0.546 . . . . 10.0 109.664 179.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -66.47 -42.19 87.91 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.679 -0.691 . . . . 10.0 109.915 178.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 8.5 m-30 -62.1 -41.01 97.78 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.868 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 53.0 m-70 -62.38 -43.4 98.91 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 109.671 -0.492 . . . . 10.0 109.671 179.178 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -65.74 -46.27 79.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.787 -0.642 . . . . 10.0 109.525 178.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 30.5 mttm -59.75 -43.68 94.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.39 179.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -63.59 -39.46 94.45 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.97 -0.381 . . . . 10.0 109.97 178.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 86.7 m -63.77 -48.26 77.66 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.7 -0.481 . . . . 10.0 109.7 178.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -63.39 -34.8 78.52 Favored 'General case' 0 C--O 1.226 -0.169 0 CA-C-O 121.01 0.433 . . . . 10.0 110.213 179.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.1 -26.01 61.09 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.958 179.347 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 52.3 mt -79.18 -39.92 32.15 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.758 0.313 . . . . 10.0 110.587 179.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 1.2 p -66.91 -38.4 86.16 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.673 -0.492 . . . . 10.0 109.673 178.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 17.2 p -73.82 -30.02 62.47 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 116.005 -0.543 . . . . 10.0 109.837 178.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 24.5 tp -69.21 -25.95 64.57 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 108.92 -0.77 . . . . 10.0 108.92 178.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 24.7 m -66.16 -25.78 67.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.619 -0.719 . . . . 10.0 110.207 179.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -71.5 -23.68 61.84 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 108.874 -0.787 . . . . 10.0 108.874 178.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 363' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -91.81 -30.1 16.4 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.341 -0.845 . . . . 10.0 109.587 178.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -80.7 -29.54 36.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.791 -0.64 . . . . 10.0 112.461 -179.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 43.0 mtmt -105.7 -75.43 0.02 OUTLIER Pre-proline 0 CA--C 1.539 0.521 0 N-CA-C 113.083 0.771 . . . . 10.0 113.083 179.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -60.06 -56.85 0.95 Allowed 'Trans proline' 0 C--N 1.358 1.035 0 C-N-CA 122.21 1.94 . . . . 10.0 113.041 -179.178 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 367' ' ' ALA . . . . . . . . . . . . . . . -57.22 -48.2 79.41 Favored 'General case' 0 C--N 1.333 -0.135 0 N-CA-C 111.943 0.349 . . . . 10.0 111.943 -179.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 2.3 mt -63.15 -36.06 82.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.65 0.262 . . . . 10.0 110.905 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -63.67 -48.77 75.85 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 109.226 -0.657 . . . . 10.0 109.226 178.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -59.07 -42.37 90.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.652 -0.704 . . . . 10.0 109.888 179.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 83.8 mt -64.26 -50.34 68.35 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.663 -0.698 . . . . 10.0 110.783 179.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -61.42 -46.96 87.94 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.448 -0.342 . . . . 10.0 111.647 -179.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -66.85 -19.96 65.83 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.935 0.397 . . . . 10.0 110.806 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -88.58 -37.33 7.53 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.935 -0.65 . . . . 10.0 111.553 178.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 92.2 mt -72.68 -25.73 61.36 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 111.833 0.309 . . . . 10.0 111.833 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 58.6 mt -54.46 -59.28 10.69 Favored Pre-proline 0 CA--C 1.537 0.48 0 N-CA-C 111.679 0.251 . . . . 10.0 111.679 179.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -65.87 -27.23 51.45 Favored 'Trans proline' 0 C--N 1.357 0.991 0 C-N-CA 121.955 1.77 . . . . 10.0 110.806 178.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 18.0 t -62.51 -47.53 92.53 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 N-CA-C 108.589 -0.893 . . . . 10.0 108.589 178.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 81.1 mt -61.44 -39.77 92.02 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.114 -0.698 . . . . 10.0 109.114 178.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -58.63 -48.94 79.3 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.839 -0.619 . . . . 10.0 111.127 179.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 5.3 p -67.56 -34.29 76.76 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 121.133 0.492 . . . . 10.0 110.468 179.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -68.13 -37.24 80.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.798 179.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 79.7 mttt -60.55 -50.55 73.08 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.683 -0.488 . . . . 10.0 109.683 179.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 51.9 t -59.89 -47.56 91.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.53 -0.759 . . . . 10.0 111.144 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 2.6 p -65.23 -40.89 94.69 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.63 -0.259 . . . . 10.0 111.695 -179.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -66.52 -41.37 88.92 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.596 0.236 . . . . 10.0 110.704 179.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 85.5 mt -63.6 -47.2 82.4 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.898 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 2.5 p -66.66 -33.75 76.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.846 0.355 . . . . 10.0 110.423 179.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -63.85 -43.41 96.22 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 109.334 -0.617 . . . . 10.0 109.334 178.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 76.0 mt -60.02 -37.79 80.76 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 116.162 -0.472 . . . . 10.0 109.864 178.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -63.99 -44.2 93.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.168 0.508 . . . . 10.0 109.894 178.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -63.18 -40.48 97.64 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.811 -0.632 . . . . 10.0 111.637 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -76.72 2.76 13.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.877 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 57.2 m -114.26 -47.28 2.94 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.366 -0.379 . . . . 10.0 110.752 178.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -60.37 -34.14 73.45 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.794 0.664 . . . . 10.0 112.794 -179.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 1.9 mptt -111.23 11.69 21.77 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 113.585 0.958 . . . . 10.0 113.585 -178.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 66.1 mt -130.14 -13.15 4.03 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.389 0.515 . . . . 10.0 112.389 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 48.8 t30 . . . . . 0 C--N 1.327 -0.412 0 CA-C-N 116.566 -0.288 . . . . 10.0 110.652 179.925 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 4.2 mm? . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.981 0.419 . . . . 10.0 110.52 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 4.7 mtpm? -129.15 22.26 5.69 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.662 -0.699 . . . . 10.0 109.658 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 94.7 mt -78.63 -27.38 45.39 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.26 -0.882 . . . . 10.0 109.806 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 95.5 mt -63.65 -39.63 94.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.599 -0.728 . . . . 10.0 109.975 179.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -61.36 -47.32 86.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.296 -0.866 . . . . 10.0 109.765 179.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -67.82 -36.41 80.33 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.826 -0.624 . . . . 10.0 110.51 179.165 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.85 -32.57 71.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.502 . . . . 10.0 110.245 179.236 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -61.63 -45.58 93.46 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 115.909 -0.587 . . . . 10.0 109.472 178.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 1.5 m -61.39 -38.78 88.31 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 115.945 -0.571 . . . . 10.0 110.274 179.279 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 49.1 t -66.16 -42.97 92.19 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 CA-C-N 115.77 -0.65 . . . . 10.0 109.713 178.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 8.9 m -63.78 -40.4 96.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.211 179.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 13.1 m -62.15 -48.39 80.28 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 116.196 -0.457 . . . . 10.0 110.654 179.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 1.1 p -64.77 -36.69 85.14 Favored 'General case' 0 N--CA 1.456 -0.151 0 CA-C-N 116.671 -0.241 . . . . 10.0 111.111 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 4.7 m-30 -65.7 -43.61 88.65 Favored 'General case' 0 CA--C 1.522 -0.106 0 N-CA-C 109.904 -0.406 . . . . 10.0 109.904 179.058 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 20.3 m -66.45 -36.77 83.61 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 109.313 -0.625 . . . . 10.0 109.313 178.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 50.6 mmtt -66.33 -33.17 75.12 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 115.968 -0.56 . . . . 10.0 110.284 178.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 20.8 mt -65.41 -39.85 92.68 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 108.894 -0.78 . . . . 10.0 108.894 177.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -67.73 -36.71 81.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.538 -0.756 . . . . 10.0 109.888 178.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -64.24 -30.37 71.43 Favored 'General case' 0 C--N 1.334 -0.076 0 CA-C-N 115.663 -0.698 . . . . 10.0 109.398 178.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -80.06 -47.95 14.05 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.762 -0.654 . . . . 10.0 109.474 178.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 41.0 mt -46.62 -45.99 19.42 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 115.373 -0.83 . . . . 10.0 112.846 -179.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -49.78 -75.15 0.22 Allowed Glycine 0 C--N 1.335 0.496 0 C-N-CA 121.243 -0.503 . . . . 10.0 112.983 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -55.94 -45.89 35.31 Favored 'Trans proline' 0 CA--C 1.528 0.186 0 C-N-CA 122.865 2.377 . . . . 10.0 112.389 179.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 63.7 t -55.64 -49.88 70.97 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 N-CA-C 113.008 0.744 . . . . 10.0 113.008 -178.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 29.7 p -64.27 -39.74 94.55 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.919 -0.312 . . . . 10.0 111.221 -179.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -60.26 -51.62 68.79 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.539 -0.301 . . . . 10.0 110.757 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -70.6 -31.73 68.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.828 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -67.6 -38.68 84.32 Favored 'General case' 0 CA--C 1.521 -0.166 0 N-CA-C 109.336 -0.616 . . . . 10.0 109.336 178.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 4.2 m95 -67.2 -40.06 86.44 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.285 -0.635 . . . . 10.0 109.285 178.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -65.89 -33.61 76.22 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.786 -0.82 . . . . 10.0 108.786 177.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -69.78 -41.23 75.39 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.959 -0.756 . . . . 10.0 108.959 177.332 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 79.2 mt -61.3 -37.56 83.64 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 115.594 -0.73 . . . . 10.0 109.165 178.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -65.37 -41.78 93.44 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.167 -0.679 . . . . 10.0 109.167 178.089 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 40.8 mttp -61.07 -44.17 97.78 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.227 -0.657 . . . . 10.0 109.227 178.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -64.64 -48.21 75.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.551 -0.749 . . . . 10.0 111.452 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 3.2 p -63.41 -41.12 98.72 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.925 -0.31 . . . . 10.0 110.396 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -61.29 -46.54 89.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.92 0.391 . . . . 10.0 110.03 178.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -62.23 -47.96 86.03 Favored Glycine 0 N--CA 1.443 -0.898 0 N-CA-C 110.268 -1.133 . . . . 10.0 110.268 178.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 60.9 mt -60.88 -32.32 71.77 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 115.773 -0.213 . . . . 10.0 110.808 179.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 51.1 mtt180 -67.32 -43.2 82.18 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.567 -0.531 . . . . 10.0 109.567 178.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -65.42 -35.17 80.13 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.787 -0.642 . . . . 10.0 109.989 179.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -76.74 -50.75 12.84 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.753 -0.658 . . . . 10.0 110.436 179.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 13.2 mmm -63.11 -34.22 77.13 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 113.716 1.006 . . . . 10.0 113.716 -178.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 4.1 p -62.04 -52.6 63.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.318 0.58 . . . . 10.0 109.841 179.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -66.47 -37.83 85.98 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.445 -0.798 . . . . 10.0 109.871 179.159 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -62.12 -56.21 21.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.755 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 21.0 mt -61.81 -47.4 85.3 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.299 0.481 . . . . 10.0 112.299 -179.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 50.4 mm-40 -59.58 -46.03 90.13 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 120.849 0.357 . . . . 10.0 110.869 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 447' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -68.2 -34.33 76.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.011 -0.54 . . . . 10.0 109.603 179.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 1.5 t -60.14 -41.58 87.08 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.172 0 CA-C-N 115.902 -0.59 . . . . 10.0 109.963 179.002 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -60.19 -45.36 93.41 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.114 0.483 . . . . 10.0 109.845 179.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -76.95 5.01 8.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.72 -0.673 . . . . 10.0 111.512 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 56.8 mttm -115.3 -44.76 2.97 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.375 -0.375 . . . . 10.0 110.475 179.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 95.1 t -65.36 -39.38 85.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.693 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -55.38 -60.59 7.92 Favored Pre-proline 0 CA--C 1.537 0.469 0 CA-C-N 116.691 -0.231 . . . . 10.0 111.249 179.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -69.05 -23.26 34.25 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.014 1.809 . . . . 10.0 111.761 178.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -69.14 -48.2 63.0 Favored 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 108.655 -0.869 . . . . 10.0 108.655 178.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 49.8 mt -66.93 -35.25 79.57 Favored 'General case' 0 C--O 1.22 -0.496 0 CA-C-N 115.731 -0.668 . . . . 10.0 109.521 178.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -61.54 -54.02 48.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.055 178.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 458' ' ' ASP . . . . . 0.431 ' CG ' ' HZ2' ' D' ' 462' ' ' LYS . 35.8 t70 -64.4 -34.85 79.12 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.844 -0.617 . . . . 10.0 110.379 179.579 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.95 -40.09 75.65 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.329 178.782 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -63.97 -35.21 79.94 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 109.255 -0.646 . . . . 10.0 109.255 178.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 67.0 mttt -63.46 -46.22 87.21 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 115.626 -0.716 . . . . 10.0 109.141 177.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 462' ' ' LYS . . . . . 0.431 ' HZ2' ' CG ' ' D' ' 458' ' ' ASP . 6.9 mtmm -67.22 -34.96 78.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.056 178.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 17.8 m0 -63.98 -49.19 73.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.709 -0.678 . . . . 10.0 109.388 178.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -62.07 -41.94 98.68 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 115.833 -0.621 . . . . 10.0 110.109 179.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 465' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -56.93 -53.71 54.85 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 109.756 -0.461 . . . . 10.0 109.756 179.073 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -61.34 -40.76 95.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.893 -0.594 . . . . 10.0 110.343 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 56.6 ttm -60.75 -47.69 85.15 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.14 -0.482 . . . . 10.0 109.932 179.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -63.6 -43.38 97.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.952 -0.567 . . . . 10.0 109.809 178.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 469' ' ' LEU . . . . . . . . . . . . . 88.8 mt -62.93 -36.43 83.38 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.668 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 11.5 m-30 -65.91 -29.16 69.54 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.979 0.418 . . . . 10.0 110.816 179.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 74.5 mtt180 -73.2 -18.87 61.21 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.228 -0.656 . . . . 10.0 109.228 178.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -109.12 3.26 21.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.766 -0.652 . . . . 10.0 111.032 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 473' ' ' LYS . . . . . . . . . . . . . 52.0 mttp -125.51 -67.04 0.91 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.622 179.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 30.0 t -62.71 -43.34 98.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 10.0 111.389 -179.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -57.12 -59.47 12.57 Favored Pre-proline 0 CA--C 1.538 0.511 0 N-CA-C 112.657 0.614 . . . . 10.0 112.657 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -62.82 -38.61 47.38 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 121.725 1.617 . . . . 10.0 111.248 178.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 27.3 mt -63.7 -32.59 74.13 Favored 'General case' 0 C--O 1.22 -0.476 0 CA-C-N 116.699 -0.228 . . . . 10.0 110.414 179.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 13.7 mtt180 -61.29 -47.04 87.81 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.278 -0.638 . . . . 10.0 109.278 178.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -64.6 -44.53 90.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.578 179.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 480' ' ' GLU . . . . . 0.479 ' CD ' ' HZ2' ' A' ' 297' ' ' LYS . 48.7 mt-10 -64.93 -44.64 88.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.731 179.451 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 65.3 mt -66.55 -31.92 72.94 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.883 -0.414 . . . . 10.0 109.883 178.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -67.49 -40.97 85.22 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 108.782 -0.821 . . . . 10.0 108.782 177.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.12 -41.15 95.12 Favored 'General case' 0 CA--C 1.517 -0.29 0 N-CA-C 109.16 -0.681 . . . . 10.0 109.16 178.599 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -66.15 -36.93 92.53 Favored Glycine 0 N--CA 1.441 -0.972 0 N-CA-C 110.262 -1.135 . . . . 10.0 110.262 178.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -66.96 -43.63 82.6 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 109.045 -0.724 . . . . 10.0 109.045 178.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 81.5 mtt180 -64.51 -40.3 95.38 Favored 'General case' 0 CA--C 1.518 -0.272 0 O-C-N 123.596 0.56 . . . . 10.0 109.802 178.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.17 -53.6 53.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.816 -0.629 . . . . 10.0 109.712 179.048 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 70.0 tttt -65.54 -32.82 74.61 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.777 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 1.6 mt -63.83 -47.8 79.37 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 108.639 -0.874 . . . . 10.0 108.639 178.277 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -62.02 -43.96 97.73 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 108.353 -0.98 . . . . 10.0 108.353 178.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -54.72 -51.71 64.76 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.64 -0.709 . . . . 10.0 109.246 178.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 92.5 mt -60.75 -47.33 86.81 Favored 'General case' 0 C--O 1.217 -0.616 0 CA-C-N 115.461 -0.791 . . . . 10.0 111.353 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -59.73 -37.53 79.2 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.067 0.46 . . . . 10.0 111.293 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -69.74 -7.11 36.67 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.023 -0.535 . . . . 10.0 111.358 179.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 495' ' ' LYS . . . . . . . . . . . . . 16.5 mttp -116.76 -33.62 4.75 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.879 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 81.3 mt -64.67 -28.0 69.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.452 -0.34 . . . . 10.0 111.506 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 497' ' ' SER . . . . . . . . . . . . . 6.5 m -74.43 -60.92 1.27 Allowed Pre-proline 0 C--N 1.323 -0.546 0 C-N-CA 120.672 -0.411 . . . . 10.0 111.432 178.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 498' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -65.21 -50.35 2.1 Favored 'Trans proline' 0 C--N 1.359 1.107 0 C-N-CA 121.719 1.613 . . . . 10.0 112.244 179.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 499' ' ' LEU . . . . . . . . . . . . . 6.5 mp -69.04 -28.73 66.82 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 120.548 0.213 . . . . 10.0 110.767 -179.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -65.89 -51.33 46.9 Favored Glycine 0 N--CA 1.446 -0.655 0 N-CA-C 110.014 -1.234 . . . . 10.0 110.014 178.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -65.36 -33.97 77.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.201 0.524 . . . . 10.0 109.616 178.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 502' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -63.97 -52.39 59.9 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.558 -0.746 . . . . 10.0 109.554 179.005 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 74.0 mmm -61.28 -37.22 82.38 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 121.019 0.438 . . . . 10.0 110.374 179.045 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 76.9 mtt180 -65.67 -43.51 89.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.893 -0.594 . . . . 10.0 109.842 178.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -69.09 -35.44 76.5 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.413 -0.358 . . . . 10.0 110.236 179.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 506' ' ' ARG . . . . . . . . . . . . . 52.1 mtt180 -61.4 -43.44 98.86 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 107.525 -1.287 . . . . 10.0 107.525 177.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -61.82 -39.07 90.49 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-N 114.975 -1.012 . . . . 10.0 109.567 178.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 508' ' ' ARG . . . . . . . . . . . . . 83.7 mtt180 -61.26 -43.89 98.13 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.184 -0.673 . . . . 10.0 109.184 178.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -63.86 -32.19 73.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.499 -0.773 . . . . 10.0 111.34 179.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 -83.09 -46.88 12.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.204 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 79.2 t -63.22 -41.35 92.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.556 -0.293 . . . . 10.0 110.623 179.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -65.9 -35.65 81.21 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.502 -0.555 . . . . 10.0 109.502 178.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -67.08 -43.16 83.31 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 108.648 -0.871 . . . . 10.0 108.648 178.071 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 514' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.6 -24.9 65.85 Favored 'General case' 0 CA--C 1.526 0.038 0 CA-C-O 120.97 0.414 . . . . 10.0 110.748 179.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 515' ' ' ARG . . . . . . . . . . . . . 77.7 mtt180 -69.47 -22.73 63.61 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.537 -0.542 . . . . 10.0 109.537 178.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.12 -4.58 15.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.807 -0.633 . . . . 10.0 110.109 179.119 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 16.3 m170 -103.45 -48.52 3.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.778 -0.647 . . . . 10.0 111.343 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 52.2 mt -94.36 -49.44 5.7 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.265 -0.425 . . . . 10.0 112.126 -178.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 519' ' ' ALA . . . . . . . . . . . . . . . -51.46 -55.31 30.33 Favored Pre-proline 0 CA--C 1.54 0.593 0 N-CA-C 114.298 1.221 . . . . 10.0 114.298 -178.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 520' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -70.72 -36.04 8.89 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 121.988 1.792 . . . . 10.0 111.812 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -69.53 -34.88 74.89 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.753 -0.658 . . . . 10.0 112.125 -178.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 3.1 p -63.96 -32.56 74.13 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.65 -0.5 . . . . 10.0 109.65 179.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -70.52 -37.15 74.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.886 -0.597 . . . . 10.0 109.498 178.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -67.64 -35.33 78.69 Favored 'General case' 0 CA--C 1.521 -0.139 0 N-CA-C 108.453 -0.943 . . . . 10.0 108.453 177.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 74.9 mt -65.91 -36.18 82.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.351 -0.84 . . . . 10.0 108.953 177.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 526' ' ' ARG . . . . . . . . . . . . . 80.1 mtt180 -60.81 -32.5 71.87 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.509 179.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -67.37 -42.82 82.81 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.036 -0.727 . . . . 10.0 109.036 178.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 528' ' ' ARG . . . . . . . . . . . . . 84.1 mtt180 -69.5 -39.24 77.72 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.05 -0.977 . . . . 10.0 109.004 179.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 32.9 mt -61.02 -35.34 76.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.716 -0.674 . . . . 10.0 110.101 178.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -69.9 -40.19 75.76 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 115.812 -0.631 . . . . 10.0 109.654 178.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -68.26 -45.98 71.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.044 -0.525 . . . . 10.0 109.981 179.254 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 -60.79 -41.72 96.16 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.054 -0.721 . . . . 10.0 109.054 178.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 1.2 mt -67.47 -38.65 84.74 Favored 'General case' 0 C--O 1.221 -0.418 0 CA-C-N 115.848 -0.614 . . . . 10.0 110.483 178.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -61.49 -42.99 99.63 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.594 -0.521 . . . . 10.0 109.594 179.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -67.62 -44.5 77.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.85 -0.614 . . . . 10.0 109.887 178.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 58.0 mt -62.34 -37.78 86.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.804 -0.634 . . . . 10.0 110.89 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -74.52 -36.49 63.2 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.532 -0.303 . . . . 10.0 110.998 179.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -68.83 -56.83 6.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.792 0.329 . . . . 10.0 110.14 179.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 51.8 m-20 -65.58 -31.33 72.32 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 109.093 -0.706 . . . . 10.0 109.093 179.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -66.87 -41.56 93.39 Favored Glycine 0 N--CA 1.445 -0.743 0 N-CA-C 110.87 -0.892 . . . . 10.0 110.87 179.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -65.08 -38.63 95.58 Favored Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 110.104 -1.198 . . . . 10.0 110.104 178.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -67.29 -46.88 72.27 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 109.091 -0.707 . . . . 10.0 109.091 178.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 57.0 mtt85 -61.53 -28.48 69.35 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.961 179.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 20.0 mt -65.42 -44.72 86.49 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.229 -0.656 . . . . 10.0 109.229 178.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -69.75 -41.96 74.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.662 -0.699 . . . . 10.0 109.392 178.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 64.9 mt-10 -60.5 -47.08 87.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.651 -0.704 . . . . 10.0 110.447 179.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -65.52 -36.06 82.69 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.879 179.446 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -67.61 -45.99 73.85 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.888 -0.412 . . . . 10.0 109.888 178.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -63.25 -41.72 99.1 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 108.968 -0.753 . . . . 10.0 108.968 178.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.63 -43.64 98.31 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.528 -0.76 . . . . 10.0 109.983 178.591 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -63.47 -35.28 79.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.283 -0.417 . . . . 10.0 110.38 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 38.8 m -68.58 -47.16 67.49 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.84 -0.618 . . . . 10.0 109.829 179.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -66.8 -36.49 82.5 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.134 0.493 . . . . 10.0 109.88 178.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -66.86 -43.59 83.2 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.713 -0.676 . . . . 10.0 109.958 178.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 21.4 tp -61.33 -39.56 90.97 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.077 -0.511 . . . . 10.0 111.197 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.76 -40.41 88.23 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.445 -0.343 . . . . 10.0 110.489 179.326 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.87 -29.52 65.64 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 121.011 0.434 . . . . 10.0 109.989 178.451 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 24.5 mt -64.71 -54.33 33.17 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 115.828 -0.623 . . . . 10.0 109.417 178.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 2.0 p -63.81 -34.81 78.75 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.771 -0.649 . . . . 10.0 110.744 179.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -58.97 -33.44 70.66 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 116.045 -0.525 . . . . 10.0 109.89 178.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.5 27.78 9.35 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.054 179.385 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -125.95 -49.0 1.61 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.695 -0.684 . . . . 10.0 110.371 179.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -58.68 -62.13 6.31 Favored Pre-proline 0 CA--C 1.535 0.371 0 CA-C-N 116.519 -0.31 . . . . 10.0 111.373 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.91 -23.77 25.15 Favored 'Trans proline' 0 C--N 1.358 1.063 0 C-N-CA 121.784 1.656 . . . . 10.0 110.934 179.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -67.04 -50.69 61.16 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 115.773 -0.649 . . . . 10.0 109.551 179.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 43.5 mt -62.73 -34.78 77.9 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 109.336 -0.616 . . . . 10.0 109.336 178.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -62.19 -52.58 63.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.498 -0.773 . . . . 10.0 109.208 178.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -64.36 -36.02 82.78 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 116.123 -0.49 . . . . 10.0 110.101 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 8.8 mt -59.47 -51.97 67.59 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.262 -0.644 . . . . 10.0 109.262 178.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -66.45 -39.18 88.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.35 -0.386 . . . . 10.0 110.889 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -64.7 -23.31 67.21 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.885 179.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -97.6 -29.74 7.63 Favored Glycine 0 N--CA 1.446 -0.668 0 N-CA-C 111.08 -0.808 . . . . 10.0 111.08 178.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 32.2 mt -70.54 -38.05 74.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.753 -0.224 . . . . 10.0 111.312 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 76.8 mt -56.37 -61.7 6.19 Favored Pre-proline 0 CA--C 1.536 0.437 0 N-CA-C 112.48 0.548 . . . . 10.0 112.48 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -64.96 -32.9 53.55 Favored 'Trans proline' 0 C--N 1.351 0.665 0 C-N-CA 121.766 1.644 . . . . 10.0 111.982 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -68.56 -39.34 80.4 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-O 120.729 0.299 . . . . 10.0 110.671 179.783 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 10.3 mt -65.96 -45.27 82.36 Favored 'General case' 0 CA--C 1.515 -0.402 0 N-CA-C 109.565 -0.532 . . . . 10.0 109.565 178.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -58.8 -42.35 88.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.675 179.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 32.2 m -71.1 -40.65 71.38 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.266 -0.424 . . . . 10.0 110.555 179.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 3.1 m-30 -64.82 -38.13 89.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.603 -0.271 . . . . 10.0 111.246 179.082 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 83.1 mttt -56.61 -45.71 81.3 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.391 -0.368 . . . . 10.0 110.685 179.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 68.8 t -64.43 -38.3 82.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.292 0.568 . . . . 10.0 109.962 179.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 5.5 m -65.35 -38.42 90.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.703 -0.68 . . . . 10.0 110.553 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -73.18 -41.61 63.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.278 179.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 77.9 mt -60.67 -53.54 56.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.984 -0.553 . . . . 10.0 111.336 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 23.4 p -63.05 -30.76 71.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.927 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -71.61 -56.7 5.36 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 116.503 -0.317 . . . . 10.0 110.181 178.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 87.5 mt -57.49 -42.96 83.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.075 -0.512 . . . . 10.0 111.737 -179.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -59.41 -50.99 71.84 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.544 -0.298 . . . . 10.0 110.999 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -68.56 -33.57 74.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.446 -0.343 . . . . 10.0 111.36 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -61.81 -42.59 99.21 Favored 'General case' 0 C--N 1.333 -0.127 0 N-CA-C 109.66 -0.496 . . . . 10.0 109.66 178.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 6.0 m -69.05 -30.43 68.78 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.163 179.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -68.84 -37.94 79.48 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.923 0.392 . . . . 10.0 110.209 178.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -79.4 -35.57 40.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.976 -0.556 . . . . 10.0 111.085 179.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 91.1 mt -88.46 26.35 1.48 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.0 0.429 . . . . 10.0 111.431 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 . . . . . 0 C--N 1.324 -0.524 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.97 -179.826 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.451 -0.401 0 CA-C-O 121.269 0.557 . . . . 10.0 110.683 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.98 118.24 25.34 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.277 -179.663 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -85.91 127.83 34.7 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.767 -0.457 . . . . 10.0 109.767 179.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -124.63 119.75 29.9 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 120.725 0.297 . . . . 10.0 110.75 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 50.2 mttm -87.21 110.22 20.02 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.044 -0.525 . . . . 10.0 111.005 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -115.09 127.27 55.5 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.589 -179.115 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 47.7 t -114.45 124.64 71.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.015 0.436 . . . . 10.0 110.721 179.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 6.0 t -86.89 110.23 20.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.08 -0.711 . . . . 10.0 109.08 179.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 16.1 m -111.63 147.96 15.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.184 0.516 . . . . 10.0 111.769 -178.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 149.87 175.8 22.41 Favored Glycine 0 N--CA 1.446 -0.692 0 CA-C-N 115.57 -0.741 . . . . 10.0 111.477 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.18 178.01 4.11 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.01 0.433 . . . . 10.0 111.138 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -89.8 146.39 24.49 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.416 -0.357 . . . . 10.0 110.689 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 83.72 7.21 86.26 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 121.051 -0.595 . . . . 10.0 113.623 179.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 24.3 m -89.65 -16.85 8.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 112.265 0.468 . . . . 10.0 112.265 -179.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 110.35 22.16 6.59 Favored Glycine 0 C--N 1.331 0.281 0 C-N-CA 120.534 -0.841 . . . . 10.0 113.34 179.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 11.6 mtmm -60.17 -42.54 95.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.221 0.534 . . . . 10.0 111.184 -179.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 60.9 m -86.21 -33.54 20.73 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.974 -179.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.59 -46.34 87.16 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.949 179.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 88.8 mt -63.69 -39.28 93.93 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.198 0.523 . . . . 10.0 110.695 179.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 25.3 m -68.35 -42.05 79.79 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.892 -0.594 . . . . 10.0 111.023 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 97.8 mt -63.34 -35.65 73.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 109.819 -0.437 . . . . 10.0 109.819 179.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -70.75 -16.85 62.79 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.236 179.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -94.4 -39.0 10.69 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.086 0.469 . . . . 10.0 111.267 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 38.5 mm -86.68 -65.62 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.111 -0.495 . . . . 10.0 111.96 -179.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -83.18 -13.83 54.65 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.86 0.362 . . . . 10.0 111.834 -179.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 54.3 m-80 62.54 44.52 6.89 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 113.97 1.1 . . . . 10.0 113.97 178.065 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 5.6 p80 -152.48 159.39 43.34 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 122.246 -0.284 . . . . 10.0 111.058 178.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -114.2 121.07 42.61 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.272 -0.422 . . . . 10.0 111.377 -179.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 6.7 m -95.93 142.97 12.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.124 -0.489 . . . . 10.0 109.795 179.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.13 15.66 14.73 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.011 0.434 . . . . 10.0 110.321 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -104.79 131.47 52.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.464 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -81.9 120.3 25.03 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.952 -0.388 . . . . 10.0 109.952 178.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -117.31 117.08 36.88 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-O 121.234 0.54 . . . . 10.0 111.163 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -86.44 63.63 4.86 Favored 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 123.239 2.626 . . . . 10.0 111.77 179.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.75 118.27 8.07 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 116.167 -0.469 . . . . 10.0 111.122 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 42.6 mm -75.12 -49.44 28.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.502 -0.555 . . . . 10.0 109.502 179.082 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -140.15 115.76 10.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.769 -0.65 . . . . 10.0 110.25 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -140.56 143.6 35.43 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.668 -0.494 . . . . 10.0 109.668 179.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 3.0 p -134.18 143.62 48.0 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.739 0.304 . . . . 10.0 111.064 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -138.16 146.96 43.37 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.48 -0.327 . . . . 10.0 111.145 -179.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 2.2 mpp_? -123.49 139.71 53.74 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.07 179.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 54.5 tttp -152.16 133.89 14.75 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 110.307 -0.257 . . . . 10.0 110.307 -179.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.25 107.22 18.08 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.961 -0.385 . . . . 10.0 109.961 179.625 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 2.2 m -123.26 160.67 26.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.396 -0.365 . . . . 10.0 111.632 -179.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 16.5 t -98.15 103.93 15.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.072 -0.513 . . . . 10.0 109.72 179.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 79.8 mt -109.79 118.82 57.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.314 -0.403 . . . . 10.0 110.232 -179.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 62.98 29.06 16.47 Favored 'General case' 0 C--O 1.234 0.273 0 O-C-N 123.617 0.573 . . . . 10.0 110.805 -179.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.52 -3.69 81.28 Favored Glycine 0 N--CA 1.452 -0.295 0 CA-C-N 115.657 -0.701 . . . . 10.0 111.979 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -107.08 116.85 32.65 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 110.26 -0.274 . . . . 10.0 110.26 -178.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.84 125.09 24.25 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.972 -0.381 . . . . 10.0 109.972 179.552 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 39.4 m -130.56 136.99 49.47 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 121.173 0.511 . . . . 10.0 111.88 -179.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 65.0 tp -95.18 113.57 25.27 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.291 -0.868 . . . . 10.0 108.729 178.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 29.5 mt -84.59 117.93 24.04 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.824 -0.625 . . . . 10.0 112.135 -178.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -103.63 79.43 1.68 Allowed 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 107.332 -1.358 . . . . 10.0 107.332 177.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -79.92 148.14 6.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.088 -0.96 . . . . 10.0 111.834 -177.41 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 29.9 tp -135.74 111.5 9.39 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 115.645 -0.707 . . . . 10.0 110.745 179.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -91.52 119.12 31.19 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.581 -0.896 . . . . 10.0 108.581 179.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 23.5 p -116.27 152.66 33.39 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.289 -0.414 . . . . 10.0 111.425 -178.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.34 151.96 46.01 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.393 179.344 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -130.88 37.75 2.05 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.427 -0.892 . . . . 10.0 111.997 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -91.42 12.87 19.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.838 0.351 . . . . 10.0 110.816 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 69.27 172.31 0.3 Allowed 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.501 -0.772 . . . . 10.0 112.089 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 68.8 50.4 0.64 Allowed 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 121.543 0.687 . . . . 10.0 110.195 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -135.29 41.79 2.77 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.516 -0.766 . . . . 10.0 109.391 179.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -56.49 -44.78 80.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.66 -0.7 . . . . 10.0 112.653 -178.483 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -77.43 -41.74 38.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.13 0.49 . . . . 10.0 111.883 -179.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 28.0 ttt -64.57 -40.24 95.2 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.874 -0.603 . . . . 10.0 111.821 -179.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.84 -48.19 82.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 10.0 111.663 -179.45 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -55.37 -36.85 66.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.562 -0.745 . . . . 10.0 111.798 -179.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -61.49 -60.59 3.48 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.466 0.543 . . . . 10.0 112.466 -178.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 30.1 p90 -71.85 -22.9 61.46 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 113.412 0.893 . . . . 10.0 113.412 -178.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 34.1 mtt -65.25 -32.43 74.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.081 0.467 . . . . 10.0 110.65 179.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 7.6 mtm105 -87.96 1.56 53.81 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.222 -0.444 . . . . 10.0 110.356 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 9.3 m -108.79 -51.01 2.94 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.617 -179.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.93 147.21 46.05 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 121.129 -0.558 . . . . 10.0 113.608 -179.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -95.48 -48.9 5.65 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.724 -0.473 . . . . 10.0 109.724 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -108.1 132.28 11.03 Favored Glycine 0 N--CA 1.444 -0.774 0 N-CA-C 111.364 -0.694 . . . . 10.0 111.364 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -110.84 119.88 40.57 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.348 0.594 . . . . 10.0 111.806 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 12.6 tp -90.12 104.19 16.78 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.49 -0.777 . . . . 10.0 109.466 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 35.5 m -83.66 95.01 8.24 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.458 -0.337 . . . . 10.0 110.37 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 44.9 t -98.31 123.98 51.15 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 CA-C-O 120.935 0.398 . . . . 10.0 110.769 -179.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 32.2 p90 -127.23 161.82 27.64 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.364 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -97.32 125.63 42.03 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.194 179.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 2.2 pp -64.51 -23.35 33.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 111.774 0.287 . . . . 10.0 111.774 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 27.3 p-10 -100.02 11.24 39.81 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.322 -0.399 . . . . 10.0 111.117 -179.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -136.45 95.86 3.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.103 0.478 . . . . 10.0 110.035 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.97 -30.71 68.13 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.679 -0.691 . . . . 10.0 112.23 -178.809 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -57.77 -47.7 81.78 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.192 -0.458 . . . . 10.0 111.602 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 78.6 p -62.2 -35.81 79.99 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 111.827 0.306 . . . . 10.0 111.827 -179.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -66.92 -43.52 83.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.139 0.495 . . . . 10.0 110.535 179.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -69.01 -33.01 72.97 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.064 0.459 . . . . 10.0 110.271 178.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.66 -27.48 68.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.392 -0.822 . . . . 10.0 110.983 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 44.7 mm -56.84 -38.77 60.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-N 116.092 -0.504 . . . . 10.0 110.157 178.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 57.5 t60 -62.6 -46.08 89.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.976 -0.557 . . . . 10.0 109.845 179.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 24.2 m-70 -68.57 -31.28 70.37 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.035 -0.53 . . . . 10.0 111.529 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 20.2 m-30 -67.93 -49.22 63.08 Favored 'General case' 0 CA--C 1.521 -0.165 0 N-CA-C 109.37 -0.604 . . . . 10.0 109.37 178.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -58.87 -43.37 90.84 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.756 -0.657 . . . . 10.0 111.034 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -62.15 -35.57 79.19 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.941 0.4 . . . . 10.0 110.69 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -70.54 -44.34 67.68 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.101 -0.499 . . . . 10.0 109.856 179.165 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 84.0 mt -56.7 -45.09 82.66 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.746 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 32.4 mtmt -57.67 -40.15 78.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.973 -0.558 . . . . 10.0 111.695 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 15.9 ttm180 -66.95 -45.7 76.97 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.934 -0.576 . . . . 10.0 110.877 -179.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 33.3 t -66.93 -49.28 75.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.853 -0.612 . . . . 10.0 112.348 -179.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -79.37 -11.53 59.92 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.567 -0.288 . . . . 10.0 111.297 -179.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 7.8 t70 56.65 51.19 11.44 Favored 'General case' 0 N--CA 1.465 0.31 0 O-C-N 123.638 0.586 . . . . 10.0 111.594 179.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 8.9 t -157.15 152.11 25.9 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.948 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 28.1 tp10 -93.45 -14.52 26.62 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.249 0.547 . . . . 10.0 109.795 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -112.5 106.56 15.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.947 -0.569 . . . . 10.0 110.048 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 61.9 t -131.77 132.22 23.17 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.404 -0.362 . . . . 10.0 110.325 -179.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -64.61 103.59 0.48 Allowed 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.857 2.371 . . . . 10.0 111.829 179.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 46.6 mtm -134.0 155.91 49.13 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.244 -0.434 . . . . 10.0 110.038 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 69.4 t -136.2 127.66 43.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.526 -0.546 . . . . 10.0 109.526 179.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 19.2 tp -84.92 111.87 20.06 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.399 -0.593 . . . . 10.0 109.399 179.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 77.2 t -115.86 118.22 58.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.15 -0.477 . . . . 10.0 111.664 -178.279 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -97.45 122.61 7.52 Favored Glycine 0 N--CA 1.444 -0.773 0 N-CA-C 109.451 -1.46 . . . . 10.0 109.451 178.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -105.95 158.56 16.69 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 117.179 0.489 . . . . 10.0 111.613 -178.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 70.4 mttt 68.22 29.04 6.24 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 123.862 0.726 . . . . 10.0 111.489 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 118' ' ' CYS . . . . . 0.419 ' HG ' ' CD ' ' B' ' 143' ' ' GLU . 94.3 m -64.98 -9.8 24.35 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 112.832 0.678 . . . . 10.0 112.832 -179.457 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -94.41 1.43 55.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.936 0.398 . . . . 10.0 111.465 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 21.4 mt -85.17 141.56 37.44 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.584 -0.28 . . . . 10.0 110.571 179.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -70.29 135.88 30.25 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.906 2.404 . . . . 10.0 112.431 -179.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 4.2 m 71.86 93.93 0.08 Allowed 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 113.064 0.764 . . . . 10.0 113.064 179.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -106.04 146.45 30.09 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.924 -0.58 . . . . 10.0 109.781 179.176 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.72 -49.6 8.96 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 120.697 0.284 . . . . 10.0 111.45 -179.516 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 95.7 t -89.31 118.31 34.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 N-CA-C 109.525 -0.546 . . . . 10.0 109.525 179.109 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -74.03 152.32 40.03 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.94 -0.573 . . . . 10.0 109.893 179.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 1.2 m -59.71 -31.25 69.43 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.427 -0.351 . . . . 10.0 111.021 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 31.9 mtmm -59.85 -59.55 5.24 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.305 -0.407 . . . . 10.0 111.472 179.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -64.37 -30.21 71.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.393 -0.367 . . . . 10.0 111.73 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.8 -45.0 88.12 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.939 0.4 . . . . 10.0 110.637 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -74.45 -25.18 59.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.796 179.61 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -64.28 -48.36 76.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.923 -0.581 . . . . 10.0 110.3 178.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 48.5 tp -61.5 -46.27 90.69 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.174 0.512 . . . . 10.0 110.939 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.8 -39.66 92.49 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.537 -0.756 . . . . 10.0 111.172 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 10.9 ttm180 -59.95 -46.78 88.3 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.408 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 22.3 m -69.7 -28.62 65.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.305 -0.407 . . . . 10.0 111.859 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 2.4 m-30 -78.88 -35.47 43.65 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.146 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 97.43 21.65 19.02 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.821 -0.704 . . . . 10.0 111.596 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 36.4 pt -118.06 153.21 51.17 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-O 120.6 0.238 . . . . 10.0 110.468 -179.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -78.13 146.93 23.1 Favored 'Trans proline' 0 CA--C 1.531 0.352 0 C-N-CA 122.404 2.07 . . . . 10.0 112.562 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -114.83 130.73 56.92 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.017 -0.538 . . . . 10.0 109.934 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 34.9 mt -128.86 133.67 65.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.996 0.427 . . . . 10.0 111.597 -179.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 143' ' ' GLU . . . . . 0.419 ' CD ' ' HG ' ' B' ' 118' ' ' CYS . 1.4 mm-40 -93.04 118.22 30.94 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 107.958 -1.127 . . . . 10.0 107.958 178.184 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 51.6 p -126.38 178.93 5.55 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 113.318 0.859 . . . . 10.0 113.318 -177.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 13.5 t -163.06 121.62 2.06 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.9 -1.148 . . . . 10.0 107.9 178.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -75.86 -23.74 55.69 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.299 0.571 . . . . 10.0 109.582 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 72.1 tttt -64.97 -52.53 55.78 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.055 -0.975 . . . . 10.0 111.114 179.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -92.58 -7.54 46.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.574 0.226 . . . . 10.0 111.117 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 60.69 15.6 5.94 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 113.044 0.757 . . . . 10.0 113.044 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -84.44 126.73 33.52 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.544 -179.493 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 92.57 -14.87 63.8 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 120.902 -0.666 . . . . 10.0 112.892 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 67.6 t -57.83 -48.9 82.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.923 0.392 . . . . 10.0 111.353 -179.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -63.01 -45.37 92.68 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.401 -0.363 . . . . 10.0 110.443 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -55.87 -43.75 77.43 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.716 -0.674 . . . . 10.0 111.61 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.06 -47.35 86.24 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.832 -0.622 . . . . 10.0 111.879 179.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 46.4 m-85 -66.26 -39.33 89.39 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.751 -179.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -63.71 -46.54 85.0 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.228 0.537 . . . . 10.0 110.286 179.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 59.0 m -59.99 -47.28 86.49 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.2 -0.909 . . . . 10.0 113.002 -178.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 55.2 tp -57.6 -41.82 81.98 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 111.919 0.34 . . . . 10.0 111.919 -178.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 78.6 t -61.99 -40.12 86.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.19 0.519 . . . . 10.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 -69.45 -32.52 71.51 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.883 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -67.03 -31.95 72.82 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.97 0.414 . . . . 10.0 110.18 178.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 78.6 mt -70.59 -42.91 78.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 108.645 -0.872 . . . . 10.0 108.645 178.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 24.9 ttm180 -63.61 -36.94 85.48 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 108.596 -0.89 . . . . 10.0 108.596 178.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 114.862 -1.063 . . . . 10.0 110.23 178.834 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 C--O 1.234 0.243 0 CA-C-O 120.523 0.202 . . . . 10.0 110.786 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 3.3 m -68.09 121.78 16.86 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 120.784 0.326 . . . . 10.0 110.962 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -92.25 137.18 32.58 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.827 0.346 . . . . 10.0 111.175 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -127.28 120.6 29.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.087 179.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 49.9 mttm -88.52 109.09 19.77 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.231 0.539 . . . . 10.0 110.495 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 11.1 mt -109.67 118.65 37.12 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.239 -0.891 . . . . 10.0 110.503 -179.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 17.2 t -104.59 131.53 53.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 110.131 -0.322 . . . . 10.0 110.131 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 3.3 t -92.59 108.32 20.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 109.687 -0.486 . . . . 10.0 109.687 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 15.8 m -106.98 147.45 12.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.569 -179.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 150.34 170.23 17.32 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.613 -0.803 . . . . 10.0 111.318 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.19 175.11 6.33 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.17 0.509 . . . . 10.0 110.586 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.03 153.37 21.06 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.037 -0.529 . . . . 10.0 111.071 179.708 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 79.29 4.77 89.15 Favored Glycine 0 N--CA 1.447 -0.595 0 CA-C-N 115.582 -0.735 . . . . 10.0 113.261 179.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 17.0 m -86.56 -25.7 6.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 117.117 0.459 . . . . 10.0 111.317 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 113.59 26.52 3.9 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 120.515 -0.85 . . . . 10.0 114.14 178.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 1.4 mtmm -62.85 -39.17 93.55 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 121.379 0.609 . . . . 10.0 110.789 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 3.8 m -74.93 -43.94 51.36 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.473 -0.785 . . . . 10.0 110.268 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.43 -44.99 76.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.066 -0.515 . . . . 10.0 111.232 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 94.9 mt -63.29 -52.53 61.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 10.0 111.85 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 3.7 m -63.36 -42.23 98.89 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.191 0.441 . . . . 10.0 112.191 -179.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 95.5 mt -64.49 -27.96 43.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.961 0.41 . . . . 10.0 110.765 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -68.12 -14.74 63.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.135 -0.484 . . . . 10.0 111.618 179.18 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 23.1 tp -107.28 -35.46 6.81 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.89 0.376 . . . . 10.0 110.179 178.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 48.4 mm -75.97 -48.32 29.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.26 -0.427 . . . . 10.0 111.517 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -108.46 -17.24 14.03 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.728 0.299 . . . . 10.0 110.527 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 65.52 37.5 6.03 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.806 -0.634 . . . . 10.0 111.279 -179.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -137.76 152.72 49.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.705 -0.68 . . . . 10.0 109.853 179.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -96.67 120.69 37.46 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.506 -0.316 . . . . 10.0 111.266 -179.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -78.96 111.79 16.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.026 -0.533 . . . . 10.0 109.821 179.585 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -91.53 -11.52 37.12 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.115 0.483 . . . . 10.0 110.108 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -106.64 119.64 39.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.456 -0.793 . . . . 10.0 109.658 178.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -65.22 135.39 55.36 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.357 0.503 . . . . 10.0 112.357 -178.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -139.45 106.02 7.11 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 115.954 -0.566 . . . . 10.0 109.627 178.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_exo -53.11 124.41 15.55 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 123.179 2.586 . . . . 10.0 112.279 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 3.3 m -98.55 122.11 41.34 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.585 -179.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 47.9 mm -93.54 -49.7 12.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 108.996 -0.742 . . . . 10.0 108.996 178.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -168.15 85.05 0.19 Allowed 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.363 -0.835 . . . . 10.0 109.166 179.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -114.5 123.12 48.61 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.418 -0.355 . . . . 10.0 110.626 -179.282 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 1.5 m -95.63 147.8 23.21 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.992 -179.119 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -129.01 136.92 50.96 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.493 -0.558 . . . . 10.0 109.493 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -128.11 139.73 52.34 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 121.28 -0.168 . . . . 10.0 110.555 179.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 42.4 tttp -158.2 161.77 37.84 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.413 -0.358 . . . . 10.0 110.272 -179.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -129.86 112.42 13.55 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.576 -0.528 . . . . 10.0 109.576 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 24.4 m -135.5 164.44 32.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.783 0.325 . . . . 10.0 111.105 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 62.4 t -98.53 116.82 42.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.304 179.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 75.0 mt -119.69 120.16 62.56 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 CA-C-N 115.806 -0.633 . . . . 10.0 110.12 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 47' ' ' ASP . . . . . 0.488 ' CB ' HH11 ' C' ' 164' ' ' ARG . 41.2 m-20 63.05 16.83 9.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.492 -0.776 . . . . 10.0 111.612 -179.444 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.07 -7.48 52.42 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.898 -0.667 . . . . 10.0 112.551 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -105.46 135.25 47.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.563 0.221 . . . . 10.0 110.666 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 1.7 m -80.61 105.79 12.12 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.997 -1.112 . . . . 10.0 107.997 178.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 3.1 m -103.76 138.02 40.97 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 112.554 0.576 . . . . 10.0 112.554 -177.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 47.9 tp -91.03 115.9 28.38 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.447 -1.316 . . . . 10.0 107.447 177.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 34.0 mt -88.37 120.59 29.89 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 112.724 0.639 . . . . 10.0 112.724 -177.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -111.16 81.98 1.53 Allowed 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 107.171 -1.418 . . . . 10.0 107.171 177.136 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 1.1 mp -92.78 154.24 3.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.695 -0.684 . . . . 10.0 111.612 -178.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 21.3 tp -151.92 120.07 6.3 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.801 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -96.01 118.64 33.01 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 108.746 -0.835 . . . . 10.0 108.746 178.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 15.7 p -103.24 171.86 7.14 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.175 0.512 . . . . 10.0 112.089 -178.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.86 145.91 49.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.813 -0.63 . . . . 10.0 111.149 -179.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -123.03 29.17 5.42 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.844 -0.694 . . . . 10.0 111.382 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -103.24 19.85 18.84 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.698 0.285 . . . . 10.0 110.685 -179.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 61.36 -154.18 0.36 Allowed 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.042 -179.019 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 71.45 -50.03 0.69 Allowed 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 113.154 0.798 . . . . 10.0 113.154 179.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -78.23 58.33 2.04 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.406 -0.361 . . . . 10.0 111.941 -179.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 1.1 m -68.28 -42.73 79.09 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.492 -0.322 . . . . 10.0 110.883 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.31 -33.28 49.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.947 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 4.3 ttp -68.9 -36.9 78.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.297 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 68' ' ' ARG . . . . . . . . . . . . . 12.8 ttp180 -65.1 -31.45 72.67 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.813 -0.63 . . . . 10.0 110.777 179.36 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -58.95 -38.23 78.57 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.569 -0.741 . . . . 10.0 111.06 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -59.17 -48.16 82.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.958 -0.565 . . . . 10.0 111.763 -179.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 71' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -66.71 -29.59 69.62 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.55 -0.295 . . . . 10.0 111.577 -178.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -64.41 -35.41 80.82 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.847 0.684 . . . . 10.0 112.847 -178.754 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 30.0 mtm180 -78.79 -33.69 46.08 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.553 0.575 . . . . 10.0 112.553 -179.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 3.0 m -80.83 -41.97 22.39 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.304 0.483 . . . . 10.0 112.304 -179.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -69.2 148.57 47.72 Favored Glycine 0 CA--C 1.52 0.357 0 C-N-CA 121.075 -0.583 . . . . 10.0 113.638 -178.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -98.88 -56.3 2.47 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.783 -0.451 . . . . 10.0 109.783 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -107.28 139.25 14.89 Favored Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 111.328 -0.709 . . . . 10.0 111.328 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 78' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -116.41 119.45 35.7 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.118 0.485 . . . . 10.0 111.828 -179.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 14.0 tp -94.3 102.8 14.81 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.676 -0.693 . . . . 10.0 110.047 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -82.58 102.57 11.5 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.244 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 61.2 t -105.68 131.17 55.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.041 -0.527 . . . . 10.0 111.203 -179.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -139.53 155.68 47.37 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.118 179.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -89.61 127.95 35.98 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.353 -0.61 . . . . 10.0 109.353 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 84' ' ' ILE . . . . . . . . . . . . . 31.3 pt -67.43 -12.07 14.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 112.149 0.426 . . . . 10.0 112.149 -179.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -92.98 -3.85 53.71 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.839 -0.619 . . . . 10.0 110.674 179.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -128.44 106.13 8.78 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.116 0.484 . . . . 10.0 111.273 -179.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.98 -26.85 68.47 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.787 -0.642 . . . . 10.0 110.766 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 24.4 tptp -59.92 -46.72 88.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.641 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.43 -25.36 65.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.469 -0.332 . . . . 10.0 111.689 179.774 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -66.19 -44.13 84.83 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.727 -0.471 . . . . 10.0 109.727 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -73.11 -31.08 64.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.815 -0.63 . . . . 10.0 110.374 178.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.39 -38.88 72.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.459 -0.792 . . . . 10.0 110.232 179.539 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 42.0 mm -57.13 -39.98 70.31 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 CA-C-N 115.719 -0.673 . . . . 10.0 111.44 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -60.31 -45.3 93.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.081 -0.509 . . . . 10.0 111.014 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 38.9 m-70 -64.0 -38.34 90.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.69 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -64.65 -43.95 92.0 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.286 179.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 29.1 ttt-85 -58.0 -43.05 86.43 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.325 -0.398 . . . . 10.0 111.154 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -63.85 -41.62 97.77 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.936 -0.575 . . . . 10.0 111.807 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -67.97 -45.09 75.16 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 121.078 -0.249 . . . . 10.0 111.138 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 94.6 mt -54.75 -47.73 73.66 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 CA-C-O 120.671 0.272 . . . . 10.0 111.154 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 17.9 mtmt -64.69 -30.48 71.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.992 0.425 . . . . 10.0 111.671 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 4.3 ttm180 -74.15 -44.46 53.49 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.701 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 61.5 t -68.73 -44.45 82.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.926 -0.579 . . . . 10.0 111.901 -178.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -85.58 -10.9 55.22 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.828 0.307 . . . . 10.0 111.828 -179.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 14.8 t70 54.1 53.28 11.32 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.5 0.666 . . . . 10.0 111.487 -179.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 64.4 m -155.84 129.49 8.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.393 -0.821 . . . . 10.0 109.731 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 32.3 tp10 -76.33 -25.44 54.73 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.148 0.499 . . . . 10.0 110.294 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -103.48 97.67 7.69 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.161 -0.472 . . . . 10.0 111.184 -179.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 58.2 t -123.39 125.82 26.02 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 115.767 -0.651 . . . . 10.0 109.824 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_endo -57.78 105.99 0.23 Allowed 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.944 2.429 . . . . 10.0 112.147 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 111' ' ' MET . . . . . . . . . . . . . 50.6 mtm -138.66 156.15 47.67 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.414 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 92.1 t -133.74 128.73 54.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.866 -0.606 . . . . 10.0 109.373 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 15.0 tp -84.79 118.1 24.25 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.477 -0.564 . . . . 10.0 109.477 179.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 82.9 t -121.82 126.6 74.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.232 0.539 . . . . 10.0 111.818 -178.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -103.41 129.08 9.74 Favored Glycine 0 N--CA 1.441 -0.994 0 N-CA-C 109.586 -1.405 . . . . 10.0 109.586 178.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -110.39 165.03 12.11 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 117.084 0.442 . . . . 10.0 111.638 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 95.9 mttt 69.35 34.91 2.76 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.322 -0.854 . . . . 10.0 112.281 179.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 118' ' ' CYS . . . . . . . . . . . . . 64.6 m -71.57 -11.31 60.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 10.0 111.541 179.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -76.46 -34.17 58.71 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.119 0.485 . . . . 10.0 109.806 179.065 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 91.7 mt -67.88 134.72 92.05 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 115.678 -0.692 . . . . 10.0 111.487 -179.333 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_exo -73.49 172.4 15.78 Favored 'Trans proline' 0 C--O 1.237 0.473 0 C-N-CA 123.423 2.748 . . . . 10.0 111.889 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 5.7 m 59.25 57.06 3.57 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.724 -0.671 . . . . 10.0 111.497 -179.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.27 124.76 24.37 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.917 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -78.25 -38.69 42.25 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.142 0.496 . . . . 10.0 110.117 179.461 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 48.0 t -101.29 122.21 53.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.421 179.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -86.26 162.1 18.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.838 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 1.5 m -62.93 -42.21 99.73 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.047 -0.524 . . . . 10.0 111.716 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 11.7 pttp -54.11 -57.87 9.46 Favored 'General case' 0 C--N 1.334 -0.099 0 N-CA-C 113.149 0.796 . . . . 10.0 113.149 -178.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -59.24 -36.68 75.9 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.729 0.64 . . . . 10.0 112.729 -178.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -75.66 -38.5 58.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.063 0.459 . . . . 10.0 111.175 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -71.44 -45.82 61.65 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.117 -0.492 . . . . 10.0 112.015 -179.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -62.94 -33.88 76.29 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.99 0.424 . . . . 10.0 110.444 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 27.1 tp -64.36 -47.48 79.14 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.891 -0.781 . . . . 10.0 108.891 178.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.79 -37.79 88.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.34 -0.845 . . . . 10.0 110.415 178.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? -62.67 -47.13 85.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.689 -0.687 . . . . 10.0 110.229 179.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 21.9 m -61.46 -35.47 77.7 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.77 -0.65 . . . . 10.0 112.003 -179.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 20.5 m-30 -84.8 -32.52 23.3 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 111.994 0.368 . . . . 10.0 111.994 -178.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 104.2 37.83 2.8 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.703 -0.761 . . . . 10.0 113.297 179.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 11.9 pt -133.67 157.36 78.12 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 122.565 -0.373 . . . . 10.0 110.5 179.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -84.0 152.09 12.67 Favored 'Trans proline' 0 N--CA 1.462 -0.376 0 C-N-CA 122.424 2.083 . . . . 10.0 112.13 179.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -124.39 133.79 53.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.143 -0.481 . . . . 10.0 110.099 179.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 60.1 mt -131.08 126.92 60.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.762 0.315 . . . . 10.0 111.248 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -86.78 123.36 31.84 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.517 -0.92 . . . . 10.0 108.517 178.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 26.7 p -138.15 177.57 7.78 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.885 0.85 . . . . 10.0 112.288 -178.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.21 122.66 3.32 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.729 -1.123 . . . . 10.0 108.033 178.442 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -64.58 -26.12 68.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.916 0.388 . . . . 10.0 111.096 -179.148 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 5.0 mtpt -61.16 -50.22 74.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.795 -0.639 . . . . 10.0 111.042 179.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -86.65 -22.84 25.91 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.204 -179.566 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 65.07 14.21 9.21 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.517 0.675 . . . . 10.0 111.979 -179.307 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -82.92 124.03 29.97 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.374 -0.83 . . . . 10.0 110.861 -179.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 85.01 -13.27 55.14 Favored Glycine 0 C--N 1.33 0.211 0 CA-C-N 116.116 -0.493 . . . . 10.0 113.427 178.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 46.7 t -60.56 -33.91 56.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.042 0.449 . . . . 10.0 110.806 -179.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -66.48 -53.11 38.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.981 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -65.44 -25.83 67.69 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 112.552 0.575 . . . . 10.0 112.552 -178.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.86 -44.72 96.63 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.23 0.538 . . . . 10.0 109.566 178.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -75.69 -32.71 60.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.552 179.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 21.7 m-30 -68.4 -43.31 77.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.321 -0.4 . . . . 10.0 110.802 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 92.8 m -65.29 -30.79 71.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 10.0 111.382 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 34.5 tp -62.91 -40.28 97.1 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.485 -0.561 . . . . 10.0 109.485 178.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 39.6 t -69.33 -36.51 72.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.639 -0.709 . . . . 10.0 109.137 178.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 -60.65 -42.28 96.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.156 -0.929 . . . . 10.0 111.041 179.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -64.05 -38.76 92.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.539 -0.3 . . . . 10.0 110.594 179.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 73.6 mt -63.27 -49.02 84.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 CA-C-N 116.253 -0.43 . . . . 10.0 109.904 179.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 164' ' ' ARG . . . . . 0.488 HH11 ' CB ' ' C' ' 47' ' ' ASP . 18.8 ttm180 -63.69 -31.76 73.04 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.302 179.681 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 25.6 ttmt -66.06 -52.17 51.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.958 -0.565 . . . . 10.0 109.916 178.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 -58.82 -52.11 67.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.744 -0.662 . . . . 10.0 111.434 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 97.2 mttt . . . . . 0 C--N 1.325 -0.471 0 N-CA-C 112.3 0.481 . . . . 10.0 112.3 -179.395 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.936 0.398 . . . . 10.0 111.254 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 78.9 mt -64.74 -44.84 88.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.189 -0.46 . . . . 10.0 111.163 -179.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 29.9 mt -65.74 -36.42 83.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.984 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -66.01 -51.19 60.53 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.867 -0.606 . . . . 10.0 111.08 -179.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -67.32 -34.32 77.1 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.438 -0.346 . . . . 10.0 111.353 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 54.0 t90 -60.77 -31.43 70.79 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.808 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -64.82 -41.12 96.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.26 -0.427 . . . . 10.0 109.857 179.299 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 1.3 m -67.18 -34.62 77.91 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.324 0.583 . . . . 10.0 109.996 179.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 84.0 t -68.42 -45.18 82.63 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 N-CA-C 109.172 -0.677 . . . . 10.0 109.172 178.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 41.2 m -64.18 -42.23 96.79 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.684 -0.689 . . . . 10.0 111.758 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 2.0 p -62.47 -36.4 82.37 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.928 -0.397 . . . . 10.0 109.928 178.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 47.1 m -65.88 -39.5 90.73 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.873 -0.788 . . . . 10.0 108.873 178.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -63.62 -38.56 91.6 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.539 178.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 15.2 m -65.2 -45.54 84.36 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 109.426 -0.583 . . . . 10.0 109.426 178.383 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 216' ' ' LYS . . . . . 0.422 ' HZ3' ' CD ' ' D' ' 560' ' ' GLU . 39.0 mmtt -61.77 -33.87 74.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.733 -0.667 . . . . 10.0 110.094 179.162 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 66.5 mt -63.39 -43.42 97.62 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.713 -0.676 . . . . 10.0 110.038 179.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -66.41 -40.39 89.57 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.445 -0.343 . . . . 10.0 111.102 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -65.16 -18.09 65.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.767 -0.651 . . . . 10.0 110.823 179.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -98.4 -40.58 8.22 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.122 -0.695 . . . . 10.0 109.122 178.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 33.9 mt -55.87 -37.27 68.57 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.727 -0.67 . . . . 10.0 111.528 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -54.04 -68.89 1.42 Allowed Glycine 0 C--N 1.335 0.477 0 N-CA-C 110.461 -1.056 . . . . 10.0 110.461 178.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -53.09 -39.2 80.7 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.79 2.327 . . . . 10.0 110.804 177.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 24.4 t -57.59 -51.68 66.95 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.247 0 CA-C-N 116.398 -0.364 . . . . 10.0 111.268 179.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 3.2 p -61.77 -29.91 70.45 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.562 -0.455 . . . . 10.0 111.498 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -70.42 -50.09 42.07 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.495 -0.557 . . . . 10.0 109.495 179.189 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -66.26 -38.33 87.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.121 179.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -65.33 -45.72 83.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.332 179.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -66.28 -33.04 74.83 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 116.301 -0.409 . . . . 10.0 110.436 179.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -62.33 -45.52 92.83 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.424 -0.584 . . . . 10.0 109.424 178.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -67.12 -43.31 82.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.708 -0.678 . . . . 10.0 109.666 178.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 82.5 mt -59.91 -46.12 90.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.715 -0.675 . . . . 10.0 110.693 179.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -60.19 -36.02 76.69 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 115.852 -0.613 . . . . 10.0 111.113 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -72.59 -38.34 67.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.101 0.477 . . . . 10.0 109.834 178.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -68.75 -47.85 65.22 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.164 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 13.3 p -65.68 -33.45 75.92 Favored 'General case' 0 CA--C 1.521 -0.144 0 N-CA-C 109.641 -0.503 . . . . 10.0 109.641 179.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -59.22 -42.85 91.95 Favored 'General case' 0 CA--C 1.52 -0.19 0 N-CA-C 108.727 -0.842 . . . . 10.0 108.727 178.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -61.95 -44.83 97.27 Favored Glycine 0 N--CA 1.442 -0.965 0 N-CA-C 110.12 -1.192 . . . . 10.0 110.12 178.234 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 96.4 mt -61.38 -37.15 82.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.0 0.428 . . . . 10.0 110.711 179.019 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 73.8 mtt180 -64.89 -41.86 95.27 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.962 -0.563 . . . . 10.0 109.714 178.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -72.7 -43.67 62.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.681 -0.69 . . . . 10.0 109.909 179.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -67.78 -17.02 64.39 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 116.046 -0.524 . . . . 10.0 110.79 179.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 36.9 ttm -64.76 -29.77 70.75 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.783 -0.821 . . . . 10.0 108.783 178.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 11.1 m -80.74 7.62 9.91 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.422 -0.808 . . . . 10.0 110.028 178.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -125.1 -60.18 1.36 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.628 -0.715 . . . . 10.0 109.435 179.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 246' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.82 -64.06 1.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.768 -0.651 . . . . 10.0 110.741 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . 34.0 mt -69.96 -27.77 65.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.08 -0.509 . . . . 10.0 112.198 -178.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -73.03 -54.32 8.87 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 120.645 -0.422 . . . . 10.0 111.067 179.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -65.9 -34.73 78.79 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.8 -0.182 . . . . 10.0 110.986 179.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 250' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -64.59 -28.49 44.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 C-N-CA 120.905 -0.318 . . . . 10.0 111.531 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -97.18 -29.67 13.45 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.873 0.368 . . . . 10.0 111.319 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -71.26 -37.68 71.91 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.792 -0.818 . . . . 10.0 108.792 178.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -88.48 -14.11 38.66 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.322 -0.854 . . . . 10.0 110.16 178.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 254' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.79 -31.65 53.04 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.148 0 C-N-CA 121.003 -0.279 . . . . 10.0 110.722 179.685 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -60.9 -61.81 7.24 Favored Pre-proline 0 N--CA 1.45 -0.427 0 CA-C-N 116.255 -0.43 . . . . 10.0 111.112 179.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -67.34 -33.17 30.93 Favored 'Trans proline' 0 C--N 1.354 0.844 0 C-N-CA 121.439 1.426 . . . . 10.0 112.156 179.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 5.4 m-30 -64.01 -55.36 22.91 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 120.798 0.332 . . . . 10.0 110.86 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 43.7 mt -66.2 -40.21 90.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.308 -0.406 . . . . 10.0 110.705 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -59.23 -40.73 86.82 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.476 179.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -63.91 -55.32 23.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.483 179.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -58.23 -43.93 87.99 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.838 -0.619 . . . . 10.0 110.799 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -64.42 -41.72 96.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.085 -0.507 . . . . 10.0 111.271 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 10.7 ttmt -59.82 -47.42 85.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.17 0.51 . . . . 10.0 110.259 179.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 264' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -70.15 -38.46 75.48 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.614 -0.721 . . . . 10.0 110.684 179.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 2.1 m95 -60.2 -42.06 94.28 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.363 178.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -59.41 -46.36 88.92 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.012 -0.54 . . . . 10.0 109.833 178.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -63.01 -43.3 99.16 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.056 179.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -60.27 -44.51 95.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.774 -0.648 . . . . 10.0 110.408 178.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 95.5 mmm -67.12 -37.96 84.77 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.189 -0.459 . . . . 10.0 110.023 179.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -63.12 -49.85 72.79 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 116.036 -0.529 . . . . 10.0 109.641 179.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 93.1 mt -61.72 -39.62 92.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.351 179.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -62.02 -44.89 95.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.423 179.041 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 -74.35 -33.34 63.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.204 -0.453 . . . . 10.0 111.24 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -65.61 -44.41 86.61 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.765 -0.457 . . . . 10.0 109.765 179.095 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 275' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -78.3 -27.13 47.25 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.857 -0.61 . . . . 10.0 111.446 179.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -59.89 -26.95 37.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 N-CA-C 111.836 0.31 . . . . 10.0 111.836 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -64.84 -63.84 3.26 Favored Pre-proline 0 CA--C 1.533 0.298 0 C-N-CA 120.941 -0.304 . . . . 10.0 111.162 178.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -61.11 -35.97 83.76 Favored 'Trans proline' 0 C--N 1.356 0.936 0 C-N-CA 121.642 1.561 . . . . 10.0 111.257 178.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 10.9 mt -61.92 -43.62 98.47 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.638 0.256 . . . . 10.0 110.55 179.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -66.24 -36.94 84.34 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.669 -0.493 . . . . 10.0 109.669 178.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -64.29 -43.35 95.02 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.866 -0.606 . . . . 10.0 109.705 178.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.66 -43.83 88.17 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.109 0.48 . . . . 10.0 109.946 178.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 17.1 mt -63.54 -39.49 94.55 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.464 179.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -70.02 -48.37 58.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.656 179.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -60.47 -41.94 95.21 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.179 0.514 . . . . 10.0 109.936 179.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -68.62 -49.1 45.95 Favored Glycine 0 N--CA 1.44 -1.049 0 CA-C-N 115.263 -0.88 . . . . 10.0 110.999 178.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -55.08 -48.45 73.52 Favored 'General case' 0 C--O 1.223 -0.292 0 O-C-N 123.515 0.186 . . . . 10.0 110.986 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 12.2 mtt85 -55.89 -50.67 70.02 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 123.381 0.426 . . . . 10.0 111.463 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -66.34 -43.46 86.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.769 0.319 . . . . 10.0 111.084 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 74.4 mttt -61.94 -42.88 99.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.296 -0.411 . . . . 10.0 110.358 179.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 82.0 mt -66.75 -35.05 79.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 10.0 109.966 178.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 6.9 m170 -62.88 -47.09 84.83 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 108.696 -0.853 . . . . 10.0 108.696 178.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -60.55 -39.81 89.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.05 -0.977 . . . . 10.0 109.115 178.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 64.6 mt -64.7 -44.98 88.52 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 115.696 -0.684 . . . . 10.0 110.782 179.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -61.71 -40.42 94.99 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 120.834 0.35 . . . . 10.0 111.032 179.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -62.97 -13.59 36.86 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.064 -0.516 . . . . 10.0 111.03 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 12.3 mmtp -119.18 11.24 12.29 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.114 178.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 12.5 mt -116.6 -37.1 3.76 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.005 -0.543 . . . . 10.0 111.113 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 299' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -73.82 -62.86 1.02 Allowed Pre-proline 0 CA--C 1.539 0.529 0 N-CA-C 111.816 0.302 . . . . 10.0 111.816 179.516 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 300' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -65.8 -45.08 6.88 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 121.788 1.659 . . . . 10.0 111.575 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 34.5 mt -68.72 -26.28 65.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.047 179.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -70.22 -46.34 50.72 Favored Glycine 0 N--CA 1.446 -0.662 0 N-CA-C 110.157 -1.177 . . . . 10.0 110.157 178.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -66.57 -35.46 80.26 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 109.811 -0.44 . . . . 10.0 109.811 178.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -60.77 -47.44 86.3 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 108.314 -0.995 . . . . 10.0 108.314 177.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 6.3 tpt -62.45 -38.08 88.39 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 115.394 -0.821 . . . . 10.0 109.864 179.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -64.08 -44.19 93.12 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.99 -0.55 . . . . 10.0 111.539 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -70.94 -36.71 72.72 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.187 0.517 . . . . 10.0 110.216 179.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 19.5 mmt180 -67.03 -31.88 72.71 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 108.999 -0.741 . . . . 10.0 108.999 177.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -68.48 -36.77 79.41 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 108.801 -0.814 . . . . 10.0 108.801 177.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 310' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -57.72 -48.16 80.37 Favored 'General case' 0 C--O 1.222 -0.348 0 N-CA-C 108.704 -0.85 . . . . 10.0 108.704 178.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -69.35 -42.99 74.53 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.783 -0.644 . . . . 10.0 110.257 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -53.1 -52.98 56.87 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.38 179.184 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 74.7 t -73.06 -44.72 56.07 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.151 0 CA-C-N 115.683 -0.69 . . . . 10.0 111.988 -179.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -59.83 -46.46 89.17 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 121.12 -0.232 . . . . 10.0 111.247 -179.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -60.81 -37.3 81.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.098 0.475 . . . . 10.0 110.187 179.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 14.4 mt -69.43 -46.33 67.05 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.667 -0.697 . . . . 10.0 109.447 178.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 37.7 ttm105 -60.37 -40.71 91.8 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.445 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 56.1 m -59.68 -28.37 67.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.888 178.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 33.5 m80 -92.66 -40.28 10.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.507 179.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 95.1 mt -64.02 -31.91 73.27 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.075 -0.511 . . . . 10.0 111.758 -179.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -56.7 -60.26 9.88 Favored Pre-proline 0 CA--C 1.536 0.406 0 CA-C-N 116.669 -0.242 . . . . 10.0 111.415 179.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -67.48 -32.65 31.31 Favored 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 121.513 1.475 . . . . 10.0 110.839 177.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 11.7 m-30 -59.93 -47.76 84.49 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.706 -0.224 . . . . 10.0 111.085 179.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 11.0 p -65.59 -34.45 78.27 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.928 0.394 . . . . 10.0 110.721 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -68.92 -42.61 76.59 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 109.235 -0.654 . . . . 10.0 109.235 178.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -69.53 -28.91 66.42 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.289 -0.634 . . . . 10.0 109.289 178.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 30.4 mt -66.45 -35.85 81.32 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.226 -0.657 . . . . 10.0 109.226 178.095 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -62.82 -37.9 88.58 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 108.752 -0.833 . . . . 10.0 108.752 178.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -67.77 -46.75 71.15 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.627 -0.715 . . . . 10.0 109.312 178.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 46.4 mtt-85 -58.92 -49.6 77.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.317 -0.856 . . . . 10.0 110.281 179.268 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 90.8 mt -62.04 -38.49 88.94 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.646 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -64.05 -50.69 67.41 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.28 -0.418 . . . . 10.0 110.341 179.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -59.71 -40.01 86.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.682 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 52.8 mtt-85 -69.14 -46.14 68.35 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.378 179.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 27.1 mt -63.84 -36.03 82.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.544 -0.298 . . . . 10.0 111.165 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -65.1 -40.72 94.98 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.159 0.504 . . . . 10.0 109.689 178.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -65.54 -45.74 82.26 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 108.795 -0.817 . . . . 10.0 108.795 178.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 97.1 mt -69.42 -10.67 58.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.726 -0.67 . . . . 10.0 111.146 179.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 69.8 tttt -92.27 -53.06 4.39 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -66.5 -53.78 31.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.962 -0.563 . . . . 10.0 109.833 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -67.76 -38.39 83.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.771 -0.649 . . . . 10.0 109.682 178.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -60.75 -43.53 99.03 Favored Glycine 0 C--N 1.332 0.357 0 CA-C-N 115.778 -0.646 . . . . 10.0 112.01 179.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -66.05 -38.4 94.01 Favored Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 111.152 -0.779 . . . . 10.0 111.152 179.224 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -65.36 -40.59 93.75 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.564 -0.532 . . . . 10.0 109.564 178.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 29.2 mtm180 -63.74 -45.49 89.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.648 -0.705 . . . . 10.0 110.336 179.182 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 52.1 mt -60.88 -44.45 97.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.242 -0.436 . . . . 10.0 110.407 179.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.91 -43.4 91.07 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.166 0.508 . . . . 10.0 109.975 178.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -67.15 -46.77 73.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.691 179.094 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -61.02 -39.97 91.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.993 -0.549 . . . . 10.0 111.253 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 10.8 m170 -63.3 -42.14 99.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.973 0.416 . . . . 10.0 109.903 178.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -67.15 -47.56 70.65 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.837 -0.62 . . . . 10.0 110.218 179.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 13.4 mttm -58.79 -47.27 85.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.923 -0.58 . . . . 10.0 109.863 179.173 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.62 -44.2 93.54 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.742 179.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 86.4 m -61.48 -43.83 98.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.068 179.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -64.87 -41.65 95.49 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.22 178.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 36.4 m-70 -63.4 -31.9 73.19 Favored 'General case' 0 CA--C 1.518 -0.255 0 N-CA-C 109.506 -0.553 . . . . 10.0 109.506 178.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 59.0 mt -71.32 -36.32 71.54 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.615 -0.721 . . . . 10.0 110.174 178.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 34.4 m -66.11 -41.12 91.0 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.672 -0.492 . . . . 10.0 109.672 178.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 1.5 m -75.33 -23.09 57.21 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.513 0.673 . . . . 10.0 109.512 178.088 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 50.9 tp -69.33 -28.91 66.66 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 108.421 -0.955 . . . . 10.0 108.421 177.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 20.3 m -64.73 -31.29 72.45 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.573 -0.74 . . . . 10.0 109.239 178.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -67.44 -15.92 63.94 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 115.65 -0.704 . . . . 10.0 109.797 178.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 363' ' ' LYS . . . . . . . . . . . . . 82.7 mttt -101.03 -39.99 7.45 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.502 -0.772 . . . . 10.0 109.209 178.102 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -71.35 -30.38 66.11 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.651 -0.704 . . . . 10.0 112.892 -179.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 71.6 mttt -101.96 -71.75 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.526 0 N-CA-C 112.543 0.571 . . . . 10.0 112.543 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -61.07 -58.34 0.47 Allowed 'Trans proline' 0 C--N 1.356 0.947 0 C-N-CA 122.391 2.06 . . . . 10.0 112.899 -179.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 367' ' ' ALA . . . . . . . . . . . . . . . -57.57 -53.91 52.83 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.551 0.574 . . . . 10.0 112.551 -179.217 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 20.4 mt -58.42 -37.28 75.05 Favored 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 112.217 0.451 . . . . 10.0 112.217 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -68.46 -47.31 67.46 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 109.71 -0.478 . . . . 10.0 109.71 179.226 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -58.1 -39.52 78.81 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 109.534 -0.543 . . . . 10.0 109.534 179.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 73.5 mt -64.5 -45.39 87.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.492 -0.776 . . . . 10.0 110.011 178.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -65.48 -40.74 93.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.874 0.369 . . . . 10.0 110.653 179.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -65.42 -42.47 92.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.005 178.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -68.59 -33.46 76.49 Favored Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.793 -0.639 . . . . 10.0 111.615 179.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 32.3 mt -71.62 -21.83 61.78 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.808 0.299 . . . . 10.0 111.808 179.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 61.7 mt -55.77 -60.8 7.61 Favored Pre-proline 0 CA--C 1.536 0.418 0 N-CA-C 112.291 0.478 . . . . 10.0 112.291 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -65.32 -31.75 52.09 Favored 'Trans proline' 0 C--N 1.356 0.936 0 C-N-CA 121.751 1.634 . . . . 10.0 111.377 179.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 74.7 t -64.08 -53.94 37.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.295 179.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 95.3 mt -59.89 -41.28 91.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.386 -0.37 . . . . 10.0 110.634 179.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 -63.8 -45.48 89.47 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 116.276 -0.42 . . . . 10.0 110.916 179.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 78.7 p -67.35 -34.11 76.62 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-O 121.222 0.534 . . . . 10.0 110.231 178.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -64.81 -34.41 78.29 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.892 -0.594 . . . . 10.0 110.032 179.05 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -62.47 -46.57 87.9 Favored 'General case' 0 C--O 1.225 -0.185 0 N-CA-C 109.117 -0.697 . . . . 10.0 109.117 178.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 24.4 t -61.66 -42.38 94.0 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 CA-C-N 115.624 -0.716 . . . . 10.0 109.391 179.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 15.3 m -64.2 -47.31 80.22 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.743 -0.662 . . . . 10.0 110.573 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -62.99 -47.06 84.77 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.115 179.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 46.6 mt -58.62 -52.46 65.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.043 -0.526 . . . . 10.0 111.732 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 11.2 p -61.3 -38.03 85.37 Favored 'General case' 0 C--N 1.33 -0.269 0 O-C-N 123.202 0.314 . . . . 10.0 110.951 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -66.34 -41.23 89.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.013 0.435 . . . . 10.0 110.661 179.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 77.3 mt -62.83 -41.88 99.51 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.954 -0.566 . . . . 10.0 109.869 179.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -63.33 -33.76 76.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.589 -0.732 . . . . 10.0 110.717 179.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -64.03 -37.82 88.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.011 0.434 . . . . 10.0 110.381 179.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -69.13 -43.15 74.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.862 -0.608 . . . . 10.0 109.897 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.44 -13.71 61.92 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.993 0.425 . . . . 10.0 110.484 179.354 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 8.7 ttmt -88.67 -54.01 4.36 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 112.683 0.623 . . . . 10.0 112.683 -179.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 2.7 mptt -97.22 -19.27 18.71 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 113.932 1.086 . . . . 10.0 113.932 -177.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 38.4 mt -105.44 26.29 9.65 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.094 0.473 . . . . 10.0 111.403 -179.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 41.0 t30 . . . . . 0 C--N 1.325 -0.497 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.15 -179.86 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--O 1.231 0.106 0 CA-C-O 121.097 0.475 . . . . 10.0 110.77 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -90.9 21.85 3.94 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.874 -179.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 28.6 mt -64.9 -51.5 61.61 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.598 -0.728 . . . . 10.0 110.975 -179.191 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 69.9 mt -62.26 -34.98 77.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.75 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -64.16 -46.29 84.71 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.856 -0.611 . . . . 10.0 110.489 179.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 13.2 t30 -70.45 -32.22 69.71 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.187 179.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 1.1 m95 -58.67 -37.36 75.84 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.868 -0.606 . . . . 10.0 110.43 179.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -65.02 -41.26 95.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.906 -0.588 . . . . 10.0 109.78 178.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.44 -34.49 76.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.414 0.626 . . . . 10.0 109.642 178.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 66.5 t -73.27 -35.7 47.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.697 -0.683 . . . . 10.0 109.307 178.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 32.8 m -68.31 -42.14 79.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.689 -0.687 . . . . 10.0 110.227 179.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 17.8 m -60.31 -44.87 95.04 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 116.444 -0.344 . . . . 10.0 110.492 179.285 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.18 -38.88 89.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 10.0 110.732 179.752 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -64.88 -41.97 95.2 Favored 'General case' 0 CA--C 1.52 -0.174 0 N-CA-C 109.891 -0.411 . . . . 10.0 109.891 178.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 19.7 m -62.65 -41.72 99.2 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.838 -0.619 . . . . 10.0 109.657 178.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 50.6 mmtt -66.17 -30.22 70.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.15 178.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 65.8 mt -67.91 -39.24 83.61 Favored 'General case' 0 CA--C 1.519 -0.245 0 N-CA-C 109.216 -0.661 . . . . 10.0 109.216 178.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 65.5 mtt180 -66.27 -36.05 81.98 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.408 -0.589 . . . . 10.0 109.408 178.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -67.23 -21.96 65.72 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.647 178.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -90.53 -55.55 3.54 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.046 -0.724 . . . . 10.0 109.046 178.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 78.6 mt -48.57 -45.22 37.53 Favored 'General case' 0 C--O 1.228 -0.073 0 CA-C-N 115.433 -0.803 . . . . 10.0 112.585 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -53.03 -76.93 0.16 Allowed Glycine 0 C--N 1.333 0.396 0 C-N-CA 121.307 -0.473 . . . . 10.0 112.903 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -55.97 -38.2 95.01 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.838 2.359 . . . . 10.0 112.515 179.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 16.4 t -60.33 -47.26 93.08 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.252 0 N-CA-C 111.715 0.265 . . . . 10.0 111.715 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 24.8 p -67.04 -30.49 70.58 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 120.819 -0.352 . . . . 10.0 110.483 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -63.41 -50.1 71.15 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.115 -0.493 . . . . 10.0 109.714 179.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -76.22 -28.51 57.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 10.0 110.904 179.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -64.44 -39.09 93.17 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 109.3 -0.629 . . . . 10.0 109.3 178.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 5.0 m95 -66.91 -36.77 83.01 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 109.516 -0.549 . . . . 10.0 109.516 178.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -67.99 -30.89 70.26 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 108.867 -0.79 . . . . 10.0 108.867 178.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.53 -41.62 65.66 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.584 -0.895 . . . . 10.0 108.584 177.256 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 92.8 mt -60.62 -40.09 90.6 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.538 -0.755 . . . . 10.0 109.7 178.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -62.23 -31.85 72.44 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.279 0.561 . . . . 10.0 110.151 178.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 53.6 mttp -71.94 -43.24 65.56 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.643 -0.873 . . . . 10.0 108.643 178.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -65.42 -45.79 82.52 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.289 -0.869 . . . . 10.0 111.454 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 5.1 p -60.78 -50.16 74.56 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-O 120.619 0.247 . . . . 10.0 110.556 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -63.84 -46.3 85.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.642 179.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -58.78 -47.99 87.5 Favored Glycine 0 N--CA 1.452 -0.266 0 N-CA-C 111.235 -0.746 . . . . 10.0 111.235 179.126 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 61.4 mt -64.17 -32.74 74.43 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 110.051 -0.351 . . . . 10.0 110.051 178.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 63.4 mtt180 -64.78 -33.83 76.91 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-N 116.537 -0.302 . . . . 10.0 110.626 178.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -67.03 -44.06 81.19 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.728 -0.842 . . . . 10.0 108.728 178.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -68.43 -41.3 80.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.605 -0.725 . . . . 10.0 110.031 179.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 88.4 mmm -67.61 -40.52 84.7 Favored 'General case' 0 C--O 1.225 -0.204 0 N-CA-C 113.095 0.776 . . . . 10.0 113.095 -179.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 2.5 p -60.51 -52.44 65.17 Favored 'General case' 0 CA--C 1.518 -0.271 0 C-N-CA 120.901 -0.32 . . . . 10.0 110.166 179.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -61.57 -36.76 81.54 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.523 -0.547 . . . . 10.0 109.523 179.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -66.13 -58.73 4.79 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.802 -0.635 . . . . 10.0 111.835 -179.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 92.0 mt -63.23 -46.0 88.99 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.804 0.668 . . . . 10.0 112.804 -178.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -61.74 -48.22 81.66 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.85 0.357 . . . . 10.0 110.953 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 447' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -73.42 -22.89 60.11 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.43 -0.35 . . . . 10.0 110.695 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -64.56 -33.72 64.9 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.141 0 CA-C-N 116.46 -0.336 . . . . 10.0 110.714 179.711 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -64.37 -39.1 93.21 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.256 -1.016 . . . . 10.0 108.256 178.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -83.08 8.19 13.65 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.406 -0.815 . . . . 10.0 110.458 179.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 31.1 mmtm -114.27 -54.31 2.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.042 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 61.3 t -63.56 -38.69 82.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.914 -0.585 . . . . 10.0 111.69 -179.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -59.5 -60.5 10.39 Favored Pre-proline 0 C--N 1.329 -0.302 0 N-CA-C 112.306 0.484 . . . . 10.0 112.306 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -64.39 -32.54 60.46 Favored 'Trans proline' 0 C--N 1.357 1.0 0 C-N-CA 121.72 1.613 . . . . 10.0 111.774 178.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -63.0 -50.19 71.73 Favored 'General case' 0 C--N 1.333 -0.132 0 N-CA-C 109.802 -0.444 . . . . 10.0 109.802 179.191 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 24.8 mt -70.39 -27.97 64.72 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.763 179.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -66.26 -53.26 38.97 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.992 0.425 . . . . 10.0 109.998 178.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 458' ' ' ASP . . . . . 0.48 ' CG ' ' HZ2' ' D' ' 462' ' ' LYS . 22.5 t70 -66.91 -35.75 80.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.877 -0.601 . . . . 10.0 109.578 178.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -66.79 -37.54 84.77 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 116.08 -0.509 . . . . 10.0 109.656 178.354 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -63.37 -42.99 98.88 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.847 -0.797 . . . . 10.0 108.847 178.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -62.41 -38.17 88.65 Favored 'General case' 0 CA--C 1.52 -0.201 0 N-CA-C 109.169 -0.678 . . . . 10.0 109.169 178.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 462' ' ' LYS . . . . . 0.48 ' HZ2' ' CG ' ' D' ' 458' ' ' ASP . 0.2 OUTLIER -67.08 -41.4 86.41 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.489 -0.778 . . . . 10.0 109.632 178.628 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 32.0 m0 -65.31 -37.71 87.96 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.331 -0.618 . . . . 10.0 109.331 178.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -64.11 -47.61 79.34 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 108.599 -0.889 . . . . 10.0 108.599 178.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 465' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -55.39 -49.26 72.81 Favored 'General case' 0 C--O 1.224 -0.245 0 N-CA-C 109.615 -0.513 . . . . 10.0 109.615 178.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -60.44 -50.32 74.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.462 -0.79 . . . . 10.0 111.07 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 42.9 ttm -60.45 -50.02 75.25 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.88 0.371 . . . . 10.0 111.3 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -63.86 -35.08 79.45 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.178 -0.465 . . . . 10.0 110.597 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 469' ' ' LEU . . . . . . . . . . . . . 16.5 mt -67.73 -36.63 80.94 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 109.711 -0.478 . . . . 10.0 109.711 178.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -66.21 -24.66 66.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.954 0.407 . . . . 10.0 110.47 179.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -82.09 -8.53 59.66 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.049 0.452 . . . . 10.0 110.077 178.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -114.98 -2.41 12.84 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.604 -0.726 . . . . 10.0 109.423 178.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 473' ' ' LYS . . . . . . . . . . . . . 19.4 mttt -126.04 -64.65 1.03 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.703 -0.68 . . . . 10.0 110.781 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 82.1 t -62.48 -39.21 83.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.515 -0.312 . . . . 10.0 110.979 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -56.45 -60.68 8.43 Favored Pre-proline 0 CA--C 1.536 0.434 0 CA-C-N 116.705 -0.225 . . . . 10.0 111.183 178.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -63.4 -34.6 65.47 Favored 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 121.432 1.421 . . . . 10.0 110.855 178.131 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 16.6 mt -64.1 -33.77 76.51 Favored 'General case' 0 C--O 1.223 -0.317 0 C-N-CA 121.054 -0.258 . . . . 10.0 110.808 179.186 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 60.2 mtt-85 -66.1 -34.74 78.75 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.046 -0.724 . . . . 10.0 109.046 178.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -73.0 -41.72 63.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.524 -0.762 . . . . 10.0 109.027 178.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.82 -42.43 94.99 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.053 -0.521 . . . . 10.0 109.763 178.592 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 23.8 mt -65.72 -41.85 91.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.828 -0.624 . . . . 10.0 109.564 178.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -63.8 -44.89 91.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.374 -0.375 . . . . 10.0 110.018 179.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -63.11 -42.51 99.58 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.5 -0.556 . . . . 10.0 109.5 179.293 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -65.37 -42.59 95.93 Favored Glycine 0 N--CA 1.449 -0.493 0 N-CA-C 110.843 -0.903 . . . . 10.0 110.843 178.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -64.0 -37.85 88.92 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 109.934 -0.395 . . . . 10.0 109.934 178.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 89.2 mtt180 -60.95 -48.29 82.49 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 109.539 -0.541 . . . . 10.0 109.539 178.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -64.21 -42.75 96.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.624 179.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 69.8 tttt -65.22 -37.05 86.07 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.975 -0.38 . . . . 10.0 109.975 179.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 18.6 mt -65.85 -40.33 91.6 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.137 -0.69 . . . . 10.0 109.137 178.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -64.11 -41.67 97.16 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.252 -1.018 . . . . 10.0 108.252 178.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -60.35 -46.76 88.78 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.879 -0.785 . . . . 10.0 108.879 177.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 93.8 mt -64.42 -40.32 95.55 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-N 115.661 -0.699 . . . . 10.0 111.046 179.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -62.09 -36.39 81.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.382 0.61 . . . . 10.0 110.567 179.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -87.96 11.24 16.38 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.955 -0.566 . . . . 10.0 111.012 179.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 495' ' ' LYS . . . . . . . . . . . . . 53.7 mttp -124.11 -55.91 1.66 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.231 -0.441 . . . . 10.0 110.465 179.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 80.9 mt -62.87 -19.54 64.25 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.489 0.552 . . . . 10.0 112.489 -179.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 497' ' ' SER . . . . . . . . . . . . . 3.4 m -85.97 -65.55 0.2 Allowed Pre-proline 0 C--N 1.324 -0.531 0 C-N-CA 120.789 -0.364 . . . . 10.0 111.303 178.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 498' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -63.67 -48.35 5.74 Favored 'Trans proline' 0 C--N 1.356 0.974 0 C-N-CA 121.606 1.537 . . . . 10.0 111.952 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 499' ' ' LEU . . . . . . . . . . . . . 77.0 mt -73.32 -32.3 64.5 Favored 'General case' 0 CA--C 1.522 -0.107 0 CA-C-O 120.772 0.32 . . . . 10.0 110.19 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -65.62 -49.53 59.48 Favored Glycine 0 N--CA 1.449 -0.486 0 N-CA-C 110.634 -0.986 . . . . 10.0 110.634 179.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -63.86 -34.61 78.33 Favored 'General case' 0 CA--C 1.519 -0.235 0 N-CA-C 109.2 -0.667 . . . . 10.0 109.2 178.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 502' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -64.2 -43.19 95.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.521 -0.763 . . . . 10.0 109.163 178.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 86.0 mmm -61.93 -42.07 98.68 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 109.633 -0.506 . . . . 10.0 109.633 179.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 87.3 mtt180 -64.23 -38.77 92.24 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.514 -0.767 . . . . 10.0 109.382 178.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -68.05 -36.25 79.57 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.016 0.436 . . . . 10.0 110.378 179.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 506' ' ' ARG . . . . . . . . . . . . . 37.9 mtt180 -63.55 -43.82 95.97 Favored 'General case' 0 CA--C 1.52 -0.203 0 N-CA-C 107.477 -1.305 . . . . 10.0 107.477 177.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -63.06 -35.24 79.6 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 114.933 -1.03 . . . . 10.0 110.003 178.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 508' ' ' ARG . . . . . . . . . . . . . 72.8 mtt180 -61.8 -33.56 74.34 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.828 -0.434 . . . . 10.0 109.828 178.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -79.73 -35.38 38.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.436 179.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 52.0 m-70 -73.25 -49.41 27.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.223 -0.444 . . . . 10.0 111.263 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 96.2 t -63.1 -40.45 89.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.413 -0.358 . . . . 10.0 110.036 179.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -65.1 -34.09 77.57 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 121.037 0.446 . . . . 10.0 109.845 178.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -65.87 -42.58 90.17 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 108.669 -0.863 . . . . 10.0 108.669 178.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 514' ' ' LEU . . . . . . . . . . . . . 89.3 mt -57.83 -32.76 67.92 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.077 -0.511 . . . . 10.0 110.476 179.095 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 515' ' ' ARG . . . . . . . . . . . . . 68.0 mtt180 -67.66 -20.62 65.33 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.22 179.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -112.1 -1.7 15.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.362 0.601 . . . . 10.0 110.078 179.429 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 25.5 m170 -110.81 -72.27 0.73 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.037 -0.529 . . . . 10.0 111.491 -179.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 61.4 mt -70.95 -42.32 69.96 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.969 0.729 . . . . 10.0 112.969 -178.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 519' ' ' ALA . . . . . . . . . . . . . . . -56.66 -57.1 25.88 Favored Pre-proline 0 C--O 1.238 0.462 0 N-CA-C 112.449 0.537 . . . . 10.0 112.449 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 520' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -65.8 -31.09 49.05 Favored 'Trans proline' 0 C--N 1.355 0.871 0 C-N-CA 121.953 1.769 . . . . 10.0 111.418 179.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -68.48 -35.46 77.57 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 116.227 -0.442 . . . . 10.0 109.94 179.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 71.0 m -63.89 -34.12 77.23 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 109.722 -0.473 . . . . 10.0 109.722 178.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -68.48 -38.74 81.29 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 115.954 -0.566 . . . . 10.0 109.582 178.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -68.54 -34.28 75.58 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.833 -0.803 . . . . 10.0 108.833 178.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 25.3 mt -69.0 -34.01 74.58 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 115.442 -0.799 . . . . 10.0 109.837 177.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 526' ' ' ARG . . . . . . . . . . . . . 85.0 mtt180 -59.94 -38.01 81.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.081 0.467 . . . . 10.0 109.843 178.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -69.77 -37.74 76.49 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.257 -0.646 . . . . 10.0 109.257 178.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 528' ' ' ARG . . . . . . . . . . . . . 74.5 mtt180 -68.65 -42.04 78.5 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.616 -0.72 . . . . 10.0 109.465 178.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 81.6 mt -66.62 -32.61 74.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.89 -0.596 . . . . 10.0 109.975 178.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -64.11 -43.7 94.5 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.536 -0.542 . . . . 10.0 109.536 178.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -69.57 -38.07 77.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.501 -0.772 . . . . 10.0 109.168 178.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 -61.45 -52.7 63.47 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.057 -0.974 . . . . 10.0 109.828 178.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 97.4 mt -64.06 -32.13 73.58 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 115.793 -0.639 . . . . 10.0 110.283 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -62.03 -47.69 83.63 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 108.981 -0.748 . . . . 10.0 108.981 178.277 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -63.98 -43.31 96.13 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.469 -0.787 . . . . 10.0 109.324 178.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 89.7 mt -63.15 -28.13 69.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.853 179.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -79.87 -46.5 16.71 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 110.252 -0.277 . . . . 10.0 110.252 178.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.36 -50.99 67.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.051 179.357 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -70.36 -32.48 70.19 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 109.198 -0.668 . . . . 10.0 109.198 178.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -64.7 -44.73 94.48 Favored Glycine 0 CA--C 1.51 -0.275 0 N-CA-C 110.85 -0.9 . . . . 10.0 110.85 179.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -62.53 -37.06 94.08 Favored Glycine 0 N--CA 1.448 -0.557 0 N-CA-C 110.608 -0.997 . . . . 10.0 110.608 178.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -67.13 -48.36 68.33 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 108.555 -0.906 . . . . 10.0 108.555 178.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 30.5 mtt180 -56.4 -45.97 80.36 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.704 -0.68 . . . . 10.0 110.512 179.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 48.2 mt -58.56 -40.99 84.64 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.592 0.234 . . . . 10.0 110.846 179.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -68.49 -44.92 73.69 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.057 -0.519 . . . . 10.0 110.369 179.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -64.25 -52.65 57.68 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.859 179.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -59.34 -35.87 74.65 Favored 'General case' 0 C--O 1.225 -0.208 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.9 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 9.7 t-160 -66.77 -45.71 77.6 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.768 -0.456 . . . . 10.0 109.768 178.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -64.02 -45.91 86.82 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 109.581 -0.526 . . . . 10.0 109.581 178.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.93 -36.95 85.12 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-N 115.533 -0.758 . . . . 10.0 110.542 179.387 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -66.29 -38.17 87.12 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 110.082 -0.34 . . . . 10.0 110.082 179.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 6.2 m -70.63 -43.2 69.73 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.124 -0.695 . . . . 10.0 109.124 178.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -62.37 -45.82 91.42 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 109.463 -0.569 . . . . 10.0 109.463 178.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -62.01 -41.39 98.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.513 -0.767 . . . . 10.0 110.246 179.268 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 20.9 tp -63.91 -33.49 75.83 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 109.611 -0.514 . . . . 10.0 109.611 178.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 24.3 m -69.69 -42.75 73.68 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.74 -0.664 . . . . 10.0 110.294 179.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.1 -34.44 71.12 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.03 0.443 . . . . 10.0 109.845 178.627 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 32.4 mt -63.14 -46.12 88.71 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.029 178.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 2.8 p -71.54 -30.66 66.15 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.091 0.472 . . . . 10.0 110.283 178.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 560' ' ' GLU . . . . . 0.422 ' CD ' ' HZ3' ' A' ' 216' ' ' LYS . 19.8 tt0 -64.26 -31.95 73.35 Favored 'General case' 0 C--O 1.224 -0.242 0 N-CA-C 109.127 -0.694 . . . . 10.0 109.127 178.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -103.5 4.36 35.85 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.59 -0.732 . . . . 10.0 110.354 179.15 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -90.21 -55.11 3.73 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.476 -0.329 . . . . 10.0 110.587 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -52.46 -55.29 33.46 Favored Pre-proline 0 CA--C 1.532 0.272 0 CA-C-N 116.247 -0.433 . . . . 10.0 112.112 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -62.73 -40.94 33.55 Favored 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 121.835 1.69 . . . . 10.0 112.22 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -66.44 -48.2 70.75 Favored 'General case' 0 C--O 1.224 -0.245 0 N-CA-C 112.055 0.391 . . . . 10.0 112.055 -179.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 91.3 mt -60.08 -46.27 90.12 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 120.621 0.248 . . . . 10.0 110.844 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -67.66 -41.15 84.23 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.424 -0.353 . . . . 10.0 110.855 179.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -63.62 -44.55 93.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.442 -0.345 . . . . 10.0 110.216 179.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 40.1 mt -62.84 -40.67 98.15 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-N 116.136 -0.483 . . . . 10.0 110.196 178.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 66.3 mtt180 -65.68 -47.85 74.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.91 0.386 . . . . 10.0 110.456 179.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -71.46 -12.29 61.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.033 -0.53 . . . . 10.0 111.38 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -100.14 -31.75 5.81 Favored Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 111.317 -0.713 . . . . 10.0 111.317 179.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 20.2 mt -74.5 -36.79 63.25 Favored 'General case' 0 C--O 1.22 -0.468 0 N-CA-C 111.38 0.141 . . . . 10.0 111.38 179.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 34.6 mt -55.54 -60.5 8.3 Favored Pre-proline 0 CA--C 1.536 0.419 0 N-CA-C 112.302 0.482 . . . . 10.0 112.302 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -63.4 -37.27 50.35 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 122.001 1.8 . . . . 10.0 112.081 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -69.53 -34.32 61.22 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 C-N-CA 120.812 -0.355 . . . . 10.0 111.121 -179.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 11.4 mt -64.55 -44.29 91.26 Favored 'General case' 0 CA--C 1.511 -0.539 0 N-CA-C 109.365 -0.606 . . . . 10.0 109.365 178.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -60.64 -40.26 91.32 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.829 -0.623 . . . . 10.0 109.459 178.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 13.6 m -62.81 -44.55 95.85 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 109.16 -0.682 . . . . 10.0 109.16 178.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -64.67 -36.96 85.96 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.758 -0.655 . . . . 10.0 110.739 179.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -62.09 -50.48 71.78 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 116.448 -0.342 . . . . 10.0 110.122 179.205 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 81.4 t -57.73 -49.77 79.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.706 179.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 20.2 m -61.62 -37.74 85.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.278 -0.419 . . . . 10.0 111.073 179.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.34 -48.6 64.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.436 -0.347 . . . . 10.0 111.211 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 84.6 mt -59.85 -47.93 83.73 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.333 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 10.0 p -65.52 -35.25 80.32 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.934 0.397 . . . . 10.0 110.571 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -67.58 -55.4 13.55 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.207 178.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 93.8 mt -56.74 -43.77 81.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.906 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -56.02 -50.32 71.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.855 179.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -71.1 -37.28 72.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.325 -0.398 . . . . 10.0 111.602 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -60.85 -41.14 95.27 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.878 0.371 . . . . 10.0 110.102 179.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 16.7 m -64.08 -38.8 92.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.538 179.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -71.45 -39.18 71.17 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.919 0.39 . . . . 10.0 110.625 179.217 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 7.7 mptt -70.39 -29.78 66.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 10.0 112.291 -179.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 71.5 mt -102.39 11.39 38.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.007 0.432 . . . . 10.0 111.965 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 . . . . . 0 C--N 1.323 -0.576 0 CA-C-N 116.33 -0.395 . . . . 10.0 111.703 -179.704 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 N--CA 1.456 -0.166 0 CA-C-O 120.897 0.379 . . . . 10.0 110.646 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 22.0 m -143.63 136.6 27.59 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.321 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -91.2 140.26 29.97 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.924 -0.399 . . . . 10.0 109.924 179.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -127.51 114.19 17.13 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 120.807 0.337 . . . . 10.0 110.433 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 47.4 mttm -83.23 107.74 15.98 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.551 -179.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -111.87 138.51 48.39 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.744 -0.662 . . . . 10.0 111.437 -178.054 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 45.4 t -124.64 123.1 65.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.018 179.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 67.7 t -95.11 111.11 25.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.411 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 15.8 m -107.69 164.36 5.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.32 -0.4 . . . . 10.0 111.155 -179.224 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 152.76 -175.41 31.33 Favored Glycine 0 N--CA 1.443 -0.894 0 N-CA-C 111.35 -0.7 . . . . 10.0 111.35 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -84.12 -168.07 2.01 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.788 0.327 . . . . 10.0 111.342 -179.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -94.28 136.43 34.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.197 0.523 . . . . 10.0 111.374 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.34 14.88 81.72 Favored Glycine 0 N--CA 1.451 -0.319 0 CA-C-N 115.581 -0.736 . . . . 10.0 113.163 179.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 27.6 m -81.89 -23.5 9.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.086 0.47 . . . . 10.0 111.222 -179.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.51 18.86 10.4 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.583 -0.818 . . . . 10.0 112.289 179.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 9.9 ptmm? -63.42 -22.65 67.01 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 121.391 0.615 . . . . 10.0 110.927 179.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.22 -46.46 8.77 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 109.295 -0.631 . . . . 10.0 109.295 178.473 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.82 -49.52 73.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.617 -0.719 . . . . 10.0 111.805 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 68.7 mt -58.72 -48.34 81.49 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.384 -0.371 . . . . 10.0 111.456 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 13.3 m -62.97 -44.66 95.43 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 116.067 -0.515 . . . . 10.0 111.166 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 93.6 mt -63.73 -33.61 62.83 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 CA-C-N 116.43 -0.35 . . . . 10.0 111.75 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -66.35 -23.35 66.33 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.849 0.356 . . . . 10.0 111.686 179.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 6.2 tp -92.78 -34.52 13.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.144 0.497 . . . . 10.0 110.784 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 47.6 mm -78.79 -60.79 2.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 112.519 0.563 . . . . 10.0 112.519 -178.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -101.31 -0.42 35.66 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.782 0.66 . . . . 10.0 112.782 -177.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 58.28 36.8 25.9 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 113.597 0.962 . . . . 10.0 113.597 178.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -139.31 155.1 47.95 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.745 0.307 . . . . 10.0 111.075 179.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -97.46 142.76 28.92 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.771 -179.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 3.9 m -104.11 113.66 41.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.141 -0.481 . . . . 10.0 111.284 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -90.38 -6.64 54.76 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.437 0.637 . . . . 10.0 109.586 179.361 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -106.7 121.5 44.48 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.449 -0.796 . . . . 10.0 110.51 179.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -71.92 127.96 34.22 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.898 -179.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -135.3 109.21 10.42 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.68 -0.236 . . . . 10.0 110.803 179.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -56.21 115.17 2.28 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 123.082 2.522 . . . . 10.0 112.047 -179.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 1.3 m -91.71 118.75 30.94 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.673 -179.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 40.7 mm -81.8 -45.41 20.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 109.016 -0.735 . . . . 10.0 109.016 178.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -178.76 95.26 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.223 -0.899 . . . . 10.0 109.706 178.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -118.0 127.21 53.6 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 121.0 -0.28 . . . . 10.0 110.425 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.6 p -104.8 130.39 52.91 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.933 0.397 . . . . 10.0 111.043 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -119.56 137.22 53.97 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.255 -0.43 . . . . 10.0 110.886 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? -108.71 128.51 54.93 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.466 -0.334 . . . . 10.0 110.77 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 41.0 tptt -131.16 145.51 51.99 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.146 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -128.88 111.2 12.81 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 110.212 -0.292 . . . . 10.0 110.212 179.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 2.0 m -135.91 158.85 39.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.415 -0.357 . . . . 10.0 111.348 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 13.5 t -94.43 96.82 6.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.322 -0.399 . . . . 10.0 109.946 179.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 73.3 mt -103.71 120.73 54.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.275 -0.421 . . . . 10.0 110.554 -179.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 68.6 25.65 6.54 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.505 -0.771 . . . . 10.0 111.764 179.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.42 5.27 85.15 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.756 -0.735 . . . . 10.0 112.814 179.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -125.57 135.89 52.71 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.856 0.328 . . . . 10.0 110.492 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 1.7 m -68.31 128.75 37.7 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.804 -0.443 . . . . 10.0 109.804 179.328 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 2.1 m -123.56 126.4 46.6 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.834 0.35 . . . . 10.0 111.3 -179.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 47.2 tp -90.94 102.03 14.8 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.451 -0.944 . . . . 10.0 108.451 178.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 34.1 mt -82.7 113.7 20.55 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 116.02 -0.536 . . . . 10.0 111.78 -178.088 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -103.95 89.29 3.25 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 107.849 -1.167 . . . . 10.0 107.849 178.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 1.4 mt -94.56 148.74 4.76 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 115.953 -0.567 . . . . 10.0 111.984 -177.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 20.6 tp -140.09 121.15 14.68 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.259 -0.428 . . . . 10.0 110.459 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -89.99 105.94 18.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.783 0.325 . . . . 10.0 110.318 179.082 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 22.9 p -77.9 162.47 26.8 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.839 -0.619 . . . . 10.0 111.58 -179.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -83.66 113.4 20.83 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 116.137 -0.483 . . . . 10.0 109.872 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -91.35 35.75 3.84 Favored Glycine 0 N--CA 1.452 -0.266 0 CA-C-N 116.133 -0.485 . . . . 10.0 112.473 -179.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -93.49 1.34 56.82 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.96 0.41 . . . . 10.0 110.701 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 61.73 -166.59 0.21 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.48 -0.782 . . . . 10.0 112.846 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 78.01 -41.78 0.34 Allowed 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.268 0.627 . . . . 10.0 111.355 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -58.71 96.51 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 121.086 0.469 . . . . 10.0 110.781 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.33 -40.57 12.69 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.753 -179.408 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -82.93 -32.8 27.02 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.683 -0.488 . . . . 10.0 109.683 179.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 17.6 tpp -78.14 67.8 4.04 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.249 -0.649 . . . . 10.0 109.249 179.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.11 -60.13 0.32 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.188 -179.151 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -48.14 -50.77 27.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.27 -0.877 . . . . 10.0 112.697 -179.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -40.13 -61.9 0.81 Allowed 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 114.272 1.212 . . . . 10.0 114.272 -178.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -78.24 -21.51 49.83 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 113.417 0.895 . . . . 10.0 113.417 -178.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 59.1 mtt -74.51 -40.3 61.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.908 0.385 . . . . 10.0 111.353 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 87.5 mtt180 -72.4 -28.41 62.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.913 0.387 . . . . 10.0 110.803 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 9.1 m -86.04 -42.88 13.58 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.046 -0.525 . . . . 10.0 112.007 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -66.68 143.2 43.42 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 121.256 -0.497 . . . . 10.0 112.846 -179.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -104.26 -38.99 6.66 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.233 0.539 . . . . 10.0 110.35 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -116.48 131.55 9.61 Favored Glycine 0 N--CA 1.447 -0.604 0 N-CA-C 111.21 -0.756 . . . . 10.0 111.21 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -113.72 125.78 54.5 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.115 0.483 . . . . 10.0 111.562 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 14.7 tp -104.39 115.11 29.8 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.683 -0.689 . . . . 10.0 109.347 179.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 14.5 m -92.78 97.6 10.87 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.803 0.335 . . . . 10.0 110.264 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 99.0 t -99.53 121.82 50.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.809 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 36.6 p90 -131.1 161.02 33.02 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.701 -0.681 . . . . 10.0 109.879 179.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -97.02 128.26 43.81 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.208 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 18.9 pt -67.05 -12.76 15.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.053 0.454 . . . . 10.0 111.693 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 32.7 p-10 -105.6 13.79 29.41 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.971 -0.558 . . . . 10.0 110.894 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -140.98 101.94 4.15 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 115.497 -0.774 . . . . 10.0 109.897 179.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.75 -18.85 65.02 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.523 0.564 . . . . 10.0 112.523 -179.035 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -61.18 -49.31 77.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.61 0.243 . . . . 10.0 111.2 -179.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 2.5 p -63.53 -39.03 93.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.397 -0.365 . . . . 10.0 111.108 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -62.31 -36.06 80.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.364 -0.38 . . . . 10.0 111.279 179.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -73.86 -38.83 64.35 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.715 179.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.05 -21.28 64.1 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.018 -0.537 . . . . 10.0 112.309 -179.461 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 23.5 mm -55.23 -40.51 56.39 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 CA-C-N 116.165 -0.471 . . . . 10.0 110.684 179.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -66.49 -41.04 89.53 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.925 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -64.73 -44.81 88.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.011 -0.541 . . . . 10.0 110.99 -179.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -59.88 -44.6 94.09 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.154 -0.476 . . . . 10.0 111.263 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -60.32 -49.09 78.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.044 -0.525 . . . . 10.0 111.813 -179.276 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -66.24 -27.46 67.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.796 0.331 . . . . 10.0 111.567 -179.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -75.56 -47.31 27.33 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.522 -0.308 . . . . 10.0 110.463 179.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 93.9 mt -58.22 -41.4 80.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-N 116.066 -0.515 . . . . 10.0 111.31 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 32.0 mtmt -60.69 -26.32 67.03 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.563 0.579 . . . . 10.0 112.563 -179.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 8.5 ttm180 -83.97 -36.75 23.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.151 0.5 . . . . 10.0 110.201 179.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 91.1 t -71.68 -46.71 60.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.406 -0.815 . . . . 10.0 111.547 -179.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 30.7 mtpp -86.81 -8.68 57.11 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.923 0.342 . . . . 10.0 111.923 -179.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 31.3 t0 54.34 71.16 0.54 Allowed 'General case' 0 N--CA 1.468 0.449 0 O-C-N 123.736 0.647 . . . . 10.0 112.083 -179.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 28.8 t -175.29 132.82 0.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.669 -0.696 . . . . 10.0 109.737 179.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 38.7 tp10 -80.1 -19.41 47.47 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.336 -0.616 . . . . 10.0 109.336 179.048 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -114.88 120.7 40.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.949 -0.569 . . . . 10.0 111.196 -179.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -149.27 149.15 28.62 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 115.938 -0.573 . . . . 10.0 110.892 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -66.65 115.17 3.41 Favored 'Trans proline' 0 C--O 1.236 0.388 0 C-N-CA 122.518 2.145 . . . . 10.0 110.989 178.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 11.1 ttm -145.61 144.71 30.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.743 -0.208 . . . . 10.0 110.552 -179.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 82.3 t -127.97 128.32 68.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.79 -0.448 . . . . 10.0 109.79 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 18.6 tp -92.59 123.79 36.14 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.068 -0.716 . . . . 10.0 109.068 179.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 71.7 t -127.01 125.19 66.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.029 0.442 . . . . 10.0 112.114 -178.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -99.25 118.37 6.16 Favored Glycine 0 N--CA 1.445 -0.719 0 N-CA-C 109.242 -1.543 . . . . 10.0 109.242 178.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -99.23 167.95 10.35 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.905 0.352 . . . . 10.0 111.813 -178.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 94.5 mttt 66.09 32.01 8.5 Favored 'General case' 0 C--O 1.235 0.3 0 O-C-N 123.725 0.64 . . . . 10.0 111.399 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 78.0 m -72.69 5.07 3.37 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 113.825 1.046 . . . . 10.0 113.825 -178.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -112.08 7.24 19.63 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.227 0.537 . . . . 10.0 110.481 178.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 51.0 mt -95.35 139.0 21.81 Favored Pre-proline 0 C--O 1.236 0.394 0 CA-C-N 115.846 -0.616 . . . . 10.0 110.019 179.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo -72.27 156.08 55.41 Favored 'Trans proline' 0 C--O 1.237 0.449 0 C-N-CA 123.06 2.507 . . . . 10.0 112.88 -178.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 4.3 m 54.7 77.21 0.21 Allowed 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.209 -0.905 . . . . 10.0 112.66 179.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 2.7 ptp180 -90.2 165.16 14.1 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.124 -0.489 . . . . 10.0 109.966 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -105.33 -45.94 4.35 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.882 0.373 . . . . 10.0 111.095 178.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 63.6 t -92.97 107.89 19.68 Favored 'Isoleucine or valine' 0 C--O 1.238 0.473 0 CA-C-O 120.963 0.411 . . . . 10.0 110.57 179.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -71.32 148.29 47.23 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.777 -0.647 . . . . 10.0 109.515 179.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 2.0 m -53.64 -40.2 65.64 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.125 0.417 . . . . 10.0 112.125 -179.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 36.9 mtmm -57.92 -50.21 74.13 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.467 0.543 . . . . 10.0 112.467 -178.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -70.33 -23.27 62.8 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.93 0.395 . . . . 10.0 111.339 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -73.09 -45.4 57.39 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.229 -0.656 . . . . 10.0 109.229 178.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -68.71 -33.16 73.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.53 -0.759 . . . . 10.0 109.193 178.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -61.73 -41.85 98.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.449 -0.796 . . . . 10.0 110.321 178.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 23.6 tp -69.15 -35.7 76.62 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.01 0.433 . . . . 10.0 110.915 179.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.08 -20.94 66.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.789 -0.641 . . . . 10.0 111.772 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 42.8 mtm105 -64.7 -36.83 85.53 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-O 120.814 0.34 . . . . 10.0 111.254 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 2.0 m -69.67 -22.18 63.46 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.133 -0.485 . . . . 10.0 111.25 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -93.19 -39.46 11.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.515 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 84.91 37.27 10.33 Favored Glycine 0 N--CA 1.449 -0.498 0 N-CA-C 110.64 -0.984 . . . . 10.0 110.64 -179.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 25.2 pt -125.12 157.89 65.47 Favored Pre-proline 0 C--N 1.324 -0.511 0 N-CA-C 109.913 -0.402 . . . . 10.0 109.913 -179.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -77.94 144.95 21.95 Favored 'Trans proline' 0 CA--C 1.531 0.35 0 C-N-CA 122.63 2.22 . . . . 10.0 112.606 -179.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -131.22 134.96 46.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 10.0 109.849 179.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 5.5 pt -138.78 150.47 23.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.422 -0.354 . . . . 10.0 111.152 179.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -84.6 137.25 33.4 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.934 -0.765 . . . . 10.0 108.934 178.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 15.6 m -140.46 156.07 46.48 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.134 0.492 . . . . 10.0 111.589 -178.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 3.2 t -145.68 116.79 7.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.592 -0.731 . . . . 10.0 109.066 178.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.56 -26.11 59.73 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.749 0.309 . . . . 10.0 110.23 179.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -63.76 -44.03 94.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.912 -0.586 . . . . 10.0 110.218 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 32.2 p -91.71 -16.7 26.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.423 0.63 . . . . 10.0 110.067 179.176 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 13.9 ttt-85 68.27 24.33 7.47 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 114.824 -1.08 . . . . 10.0 111.024 -179.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -96.93 125.75 41.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.708 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 89.99 -8.62 79.49 Favored Glycine 0 N--CA 1.452 -0.244 0 CA-C-N 115.929 -0.578 . . . . 10.0 112.926 179.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 77.5 t -57.68 -58.11 7.54 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-O 120.704 0.288 . . . . 10.0 111.67 -179.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.8 -44.34 94.01 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.255 -0.429 . . . . 10.0 111.284 -179.175 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -59.37 -37.14 77.18 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.979 -0.555 . . . . 10.0 112.255 -178.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.26 -45.26 93.92 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.139 0.495 . . . . 10.0 110.487 179.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -69.27 -39.19 78.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.758 -0.656 . . . . 10.0 110.822 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -59.54 -46.14 89.75 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.403 0.62 . . . . 10.0 110.689 179.13 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 27.9 m -60.12 -41.71 93.21 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.525 -0.762 . . . . 10.0 111.644 -179.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 23.3 tp -61.48 -38.42 87.19 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 120.9 0.381 . . . . 10.0 111.567 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 89.5 t -66.44 -41.65 89.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.265 0.555 . . . . 10.0 109.783 179.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 1.9 tpp180 -63.47 -35.46 80.51 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 115.251 -0.886 . . . . 10.0 110.12 179.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -65.47 -38.45 89.83 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.869 -0.605 . . . . 10.0 111.162 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 65.7 mt -65.34 -43.99 94.82 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 N-CA-C 109.385 -0.598 . . . . 10.0 109.385 178.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -65.55 -32.46 74.07 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.677 -0.692 . . . . 10.0 109.886 179.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 3.9 tmmm? . . . . . 0 C--N 1.332 -0.178 0 N-CA-C 108.868 -0.79 . . . . 10.0 108.868 178.461 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.889 0.376 . . . . 10.0 110.962 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.94 125.01 38.31 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.737 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -90.66 136.89 32.77 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.46 -0.336 . . . . 10.0 110.202 179.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 99.6 m-85 -129.94 121.19 26.11 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.8 -0.444 . . . . 10.0 109.8 179.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 48.1 mttm -91.55 111.43 22.93 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.967 0.413 . . . . 10.0 110.856 -179.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 34.7 mt -113.85 129.08 56.63 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.646 -0.706 . . . . 10.0 110.296 -179.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 46.2 t -115.06 118.32 58.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-O 121.113 0.482 . . . . 10.0 110.734 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 10.9 t -84.21 119.05 32.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.978 -0.556 . . . . 10.0 109.517 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 31.2 m -114.43 151.69 16.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 116.319 -0.4 . . . . 10.0 110.832 -179.182 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 163.19 179.69 37.84 Favored Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 111.434 -0.667 . . . . 10.0 111.434 -179.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -86.56 -166.09 1.46 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.185 0.517 . . . . 10.0 111.938 -179.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.6 132.74 33.82 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.864 -0.607 . . . . 10.0 111.837 -179.592 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 77.27 17.28 79.62 Favored Glycine 0 N--CA 1.45 -0.383 0 CA-C-N 115.603 -0.726 . . . . 10.0 113.955 178.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 16.2 m -79.6 -32.44 14.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 122.287 -0.537 . . . . 10.0 111.727 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.83 32.01 3.47 Favored Glycine 0 C--N 1.33 0.199 0 C-N-CA 120.654 -0.784 . . . . 10.0 113.599 179.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 6.8 mtmp? -68.95 -45.37 70.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.67 0.748 . . . . 10.0 109.749 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 14.7 m -73.22 -38.75 65.95 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.484 -0.78 . . . . 10.0 111.1 -179.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.5 -42.06 70.34 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 87.1 mt -72.08 -43.97 64.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.895 179.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 9.7 m -66.54 -43.48 85.0 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.274 0.472 . . . . 10.0 112.274 -179.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.04 -35.39 71.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.942 0.401 . . . . 10.0 110.659 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -68.0 -31.17 70.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.272 0.558 . . . . 10.0 109.879 178.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 5.4 tp -78.46 -43.11 27.99 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.646 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 47.7 mm -75.34 -68.1 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 113.158 0.799 . . . . 10.0 113.158 -178.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -91.42 -17.52 25.66 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 113.185 0.809 . . . . 10.0 113.185 -177.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 39.2 m-80 71.86 47.43 0.32 Allowed 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 114.377 1.251 . . . . 10.0 114.377 178.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 15.5 p80 -146.52 155.1 42.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 122.287 -0.258 . . . . 10.0 111.463 178.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -93.26 120.23 33.31 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.925 -0.58 . . . . 10.0 110.614 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 3.4 m -92.13 97.6 7.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.135 0.493 . . . . 10.0 110.954 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -71.69 -20.95 61.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.993 -0.549 . . . . 10.0 109.947 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -87.53 124.03 33.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.708 -0.678 . . . . 10.0 109.596 179.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -74.82 133.42 41.91 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.857 -0.337 . . . . 10.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -119.59 117.68 32.62 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.736 179.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_exo -76.14 75.59 4.14 Favored 'Trans proline' 0 N--CA 1.461 -0.427 0 C-N-CA 122.97 2.446 . . . . 10.0 109.948 178.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 4.3 m -60.1 136.59 58.07 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.48 -0.782 . . . . 10.0 112.655 -179.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 43.0 mm -96.04 -48.58 12.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 108.202 -1.036 . . . . 10.0 108.202 178.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -171.63 102.67 0.19 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.768 -1.106 . . . . 10.0 108.656 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -118.45 148.35 42.67 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.517 0.199 . . . . 10.0 110.662 -179.089 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 40.1 p -131.37 129.53 41.46 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.7 0.286 . . . . 10.0 110.914 179.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -120.85 142.14 49.93 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 110.156 -0.313 . . . . 10.0 110.156 -179.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? -117.6 136.32 53.37 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.457 -0.338 . . . . 10.0 110.54 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 51.3 tttp -146.02 139.11 25.87 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.745 -0.207 . . . . 10.0 110.554 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -115.19 107.64 15.57 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.968 -0.382 . . . . 10.0 109.968 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 10.2 m -129.65 174.25 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.075 0.464 . . . . 10.0 111.589 -179.205 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 21.9 t -105.86 116.24 49.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.426 -0.583 . . . . 10.0 109.426 178.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 39.9 mt -122.54 121.16 62.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.902 -179.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 61.34 31.31 19.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.445 -0.798 . . . . 10.0 111.954 179.058 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.58 8.02 83.64 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.843 -0.694 . . . . 10.0 113.385 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -125.97 132.41 52.06 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.877 0.338 . . . . 10.0 110.9 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 1.3 m -74.15 128.73 36.3 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.367 -0.975 . . . . 10.0 108.367 178.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -130.79 149.66 52.32 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.256 0.55 . . . . 10.0 112.474 -178.155 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 32.2 tp -106.52 102.4 11.79 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.191 -1.04 . . . . 10.0 108.191 178.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 83.6 mt -83.98 116.42 22.81 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.982 -0.553 . . . . 10.0 112.298 -178.005 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -106.5 91.24 3.61 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.024 -1.102 . . . . 10.0 108.024 178.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 70.4 mt -101.62 131.69 48.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.444 -0.798 . . . . 10.0 112.051 -177.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 1.5 tt -114.8 135.45 54.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.837 -0.62 . . . . 10.0 110.004 179.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -95.91 116.06 28.36 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.897 -0.592 . . . . 10.0 110.206 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 49.0 p -85.5 171.45 11.75 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.442 -0.799 . . . . 10.0 111.268 -179.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -107.35 110.7 22.76 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.071 178.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -85.46 39.56 3.01 Favored Glycine 0 CA--C 1.507 -0.42 0 C-N-CA 120.763 -0.732 . . . . 10.0 112.129 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -98.68 6.82 46.73 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.509 0.195 . . . . 10.0 111.13 -179.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 62' ' ' GLU . . . . . 0.406 ' CG ' ' H ' ' C' ' 63' ' ' GLU . 4.3 tp10 63.57 -162.91 0.27 Allowed 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.0 -0.545 . . . . 10.0 110.368 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 63' ' ' GLU . . . . . 0.406 ' H ' ' CG ' ' C' ' 62' ' ' GLU . 2.7 tt0 72.61 -43.08 0.55 Allowed 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 113.459 0.911 . . . . 10.0 113.459 179.588 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -79.27 71.76 5.81 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.634 0.605 . . . . 10.0 112.634 -179.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.51 -33.66 54.32 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.3 0.571 . . . . 10.0 110.616 179.705 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -77.89 -37.82 47.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.792 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 44.5 ttp -66.96 -22.41 65.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.943 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 68' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -63.92 -41.92 97.53 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.113 -0.494 . . . . 10.0 111.646 -179.039 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -60.19 -33.66 72.53 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 116.091 -0.504 . . . . 10.0 111.506 -179.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -55.47 -66.27 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 113.173 0.805 . . . . 10.0 113.173 -177.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 71' ' ' TYR . . . . . . . . . . . . . 13.8 p90 -69.93 -16.31 63.2 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 113.892 1.071 . . . . 10.0 113.892 -178.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 44.7 mtt -74.85 -28.85 60.84 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.971 0.415 . . . . 10.0 111.17 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 75.0 mtt180 -78.18 -35.65 48.47 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.986 -0.552 . . . . 10.0 111.58 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.45 -22.01 25.21 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.208 -0.451 . . . . 10.0 112.128 -179.349 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -80.13 128.75 8.67 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.507 -0.854 . . . . 10.0 113.137 -179.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -89.77 -33.97 16.35 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.867 -0.42 . . . . 10.0 109.867 179.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -132.42 145.84 17.65 Favored Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 111.191 -0.764 . . . . 10.0 111.191 179.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 78' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -121.52 134.54 55.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.266 0.555 . . . . 10.0 111.907 -179.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 8.0 tp -105.62 102.5 11.95 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.661 -0.699 . . . . 10.0 109.367 178.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 11.0 m -82.3 93.16 7.09 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.801 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 48.3 t -98.37 123.16 50.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.258 0.551 . . . . 10.0 111.159 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -128.41 160.23 32.9 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.626 -0.716 . . . . 10.0 109.663 178.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -99.1 127.02 44.97 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.999 -0.371 . . . . 10.0 109.999 -179.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 84' ' ' ILE . . . . . . . . . . . . . 24.8 pt -65.41 -18.1 23.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.286 -0.415 . . . . 10.0 111.702 -179.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 11.7 p-10 -92.41 4.15 54.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.731 -0.668 . . . . 10.0 110.638 179.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -135.27 98.74 4.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.796 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -58.14 -36.01 72.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.739 -0.664 . . . . 10.0 112.133 -179.281 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -59.63 -39.92 85.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 10.0 112.038 -179.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 96.6 p -66.01 -24.69 66.81 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.973 0.416 . . . . 10.0 111.64 -179.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -74.9 -38.22 61.89 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.51 -0.552 . . . . 10.0 109.51 179.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -72.76 -33.35 66.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.679 -0.691 . . . . 10.0 110.291 179.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -58.23 -32.79 68.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.203 179.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 47.1 mm -59.72 -40.8 83.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.001 -0.545 . . . . 10.0 111.26 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -59.84 -48.88 79.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.629 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -65.21 -37.81 88.46 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.719 -0.673 . . . . 10.0 111.151 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 6.8 m-30 -63.93 -45.28 89.93 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.029 -0.532 . . . . 10.0 111.191 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 20.1 ttt-85 -62.68 -42.97 99.91 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.674 -0.239 . . . . 10.0 111.193 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -58.58 -30.91 67.55 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 116.317 -0.402 . . . . 10.0 111.486 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -80.64 -39.86 26.63 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.393 -0.367 . . . . 10.0 110.578 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 96.7 mt -55.1 -44.79 75.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.057 179.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 18.9 mtmt -62.79 -30.53 71.53 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.41 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 26.6 ttm180 -77.05 -44.47 30.64 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.147 -0.478 . . . . 10.0 111.226 -179.115 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 25.0 t -69.63 -45.12 78.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.215 -0.448 . . . . 10.0 111.541 -179.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 18.8 mtpp -82.64 -10.19 59.05 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.386 -0.37 . . . . 10.0 111.288 -179.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 105' ' ' ASP . . . . . 0.454 ' C ' ' HG ' ' C' ' 106' ' ' SER . 21.7 t70 56.95 42.14 26.7 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.363 0.602 . . . . 10.0 111.448 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 106' ' ' SER . . . . . 0.454 ' HG ' ' C ' ' C' ' 105' ' ' ASP . 17.0 m -153.39 133.23 13.16 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.679 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -74.81 -32.99 62.13 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.617 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -102.81 103.18 13.36 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.309 -0.405 . . . . 10.0 111.545 -179.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 45.5 t -129.9 135.01 26.83 Favored Pre-proline 0 C--N 1.328 -0.344 0 N-CA-C 108.899 -0.778 . . . . 10.0 108.899 179.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -58.8 108.42 0.41 Allowed 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.736 2.291 . . . . 10.0 112.233 179.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 111' ' ' MET . . . . . . . . . . . . . 53.6 mtm -137.05 152.84 50.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.807 -0.633 . . . . 10.0 110.192 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 94.4 t -131.17 133.0 63.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 110.207 -0.294 . . . . 10.0 110.207 179.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 21.7 tp -91.55 122.95 34.59 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.364 -0.606 . . . . 10.0 109.364 179.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 61.8 t -122.71 125.82 73.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-O 121.046 0.451 . . . . 10.0 111.453 -178.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -102.27 102.33 2.29 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 109.942 -1.263 . . . . 10.0 109.942 178.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -87.18 163.91 16.66 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.231 0.456 . . . . 10.0 112.231 -177.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 86.8 mttt 64.01 30.25 14.1 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.243 -0.89 . . . . 10.0 111.989 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 118' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.51 -6.48 30.89 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 112.893 0.701 . . . . 10.0 112.893 -179.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -94.48 -5.21 46.66 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 120.741 -0.384 . . . . 10.0 110.245 178.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 35.1 mt -82.65 138.94 43.82 Favored Pre-proline 0 C--O 1.234 0.252 0 N-CA-C 109.413 -0.588 . . . . 10.0 109.413 178.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -71.48 158.44 53.97 Favored 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 122.498 2.132 . . . . 10.0 113.162 -179.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 35.3 m 56.04 76.24 0.29 Allowed 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.126 -0.943 . . . . 10.0 113.189 179.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 17.1 ptp180 -85.94 138.1 32.25 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.541 -0.3 . . . . 10.0 110.493 179.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -86.22 -33.37 20.77 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.096 0.474 . . . . 10.0 110.576 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 57.6 t -98.56 117.53 43.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.035 -0.529 . . . . 10.0 110.115 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -75.81 159.0 31.47 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.6 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.52 -44.72 70.45 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.321 -0.4 . . . . 10.0 110.758 -179.315 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 9.8 pttm -53.6 -52.62 59.22 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.737 -0.665 . . . . 10.0 112.624 -179.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -62.13 -36.39 81.64 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.249 0.462 . . . . 10.0 112.249 -178.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -73.63 -43.1 60.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.153 0.501 . . . . 10.0 110.335 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -66.08 -40.02 90.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.578 -0.737 . . . . 10.0 111.931 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -66.22 -41.12 90.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.753 0.311 . . . . 10.0 110.431 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 22.4 tp -62.53 -41.48 98.89 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.985 -0.746 . . . . 10.0 108.985 178.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -67.07 -35.04 78.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.711 -0.677 . . . . 10.0 109.636 178.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? -65.47 -43.4 90.4 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.4 -0.818 . . . . 10.0 110.37 179.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 18.2 m -58.67 -39.41 80.59 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.314 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -83.56 -33.89 25.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.081 -0.509 . . . . 10.0 111.043 -179.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 102.16 30.39 5.71 Favored Glycine 0 N--CA 1.454 -0.137 0 C-N-CA 120.913 -0.661 . . . . 10.0 112.705 179.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 49.1 pt -117.03 154.04 49.7 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-O 120.631 0.253 . . . . 10.0 110.839 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -80.16 155.19 22.45 Favored 'Trans proline' 0 CA--C 1.534 0.508 0 C-N-CA 122.551 2.168 . . . . 10.0 112.283 179.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -126.85 124.33 39.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.48 179.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 50.2 mt -127.19 133.95 67.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.301 -0.409 . . . . 10.0 110.364 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -90.46 127.21 36.15 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.174 -0.676 . . . . 10.0 109.174 178.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 81.1 p -127.74 -178.68 4.59 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.565 0.698 . . . . 10.0 112.262 -178.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 145' ' ' SER . . . . . 0.485 ' CB ' ' HG1' ' C' ' 148' ' ' THR . 1.9 t -170.5 126.33 0.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.805 -1.089 . . . . 10.0 108.824 178.72 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -66.93 -26.07 66.67 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.441 -0.345 . . . . 10.0 111.657 -178.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -80.21 -40.38 27.26 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 112.25 0.463 . . . . 10.0 112.25 -179.328 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 148' ' ' THR . . . . . 0.485 ' HG1' ' CB ' ' C' ' 145' ' ' SER . 31.9 p -84.94 -23.36 28.84 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.38 0.511 . . . . 10.0 112.38 -178.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 68.21 22.86 8.04 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 121.778 0.799 . . . . 10.0 110.1 -179.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -91.88 128.97 37.92 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.762 -0.654 . . . . 10.0 111.231 -179.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 72.59 -3.52 25.35 Favored Glycine 0 C--N 1.333 0.365 0 CA-C-N 115.891 -0.595 . . . . 10.0 114.307 178.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 61.0 t -60.16 -51.82 68.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 111.971 0.36 . . . . 10.0 111.971 -178.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.0 -42.14 76.86 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.376 -179.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -67.06 -33.36 75.35 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.611 0.597 . . . . 10.0 112.611 -178.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -56.97 -47.2 81.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.947 0.403 . . . . 10.0 110.637 179.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -68.89 -39.54 79.68 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.62 179.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 3.8 m-30 -64.64 -37.14 86.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.914 -0.585 . . . . 10.0 111.243 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 97.3 m -62.38 -34.96 77.72 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.033 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 12.5 tp -64.71 -30.78 71.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.469 0.652 . . . . 10.0 109.625 178.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 21.8 t -73.34 -39.91 56.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.076 -0.713 . . . . 10.0 109.076 178.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.73 -46.28 90.31 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 115.715 -0.675 . . . . 10.0 110.196 179.217 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -62.38 -41.14 98.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.924 -0.58 . . . . 10.0 111.326 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 18.9 mt -62.22 -44.55 99.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.203 0.525 . . . . 10.0 109.835 178.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 80.4 mtt180 -65.24 -40.75 94.47 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.719 -0.673 . . . . 10.0 110.431 179.058 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 20.4 ttpt -65.76 -43.04 90.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.508 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 29.3 t-80 -59.78 -56.37 22.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.954 -0.567 . . . . 10.0 110.879 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 10.0 111.984 -179.052 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 9.2 tmtm? . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.949 0.404 . . . . 10.0 111.349 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 95.5 mt -67.76 -38.39 83.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.755 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 51.2 mt -65.34 -43.59 90.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.166 0.508 . . . . 10.0 111.209 -179.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -61.72 -39.61 92.12 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.826 -0.625 . . . . 10.0 111.17 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -78.95 -22.54 45.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.112 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 81.8 t90 -71.83 -40.03 69.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.198 179.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -61.8 -35.26 77.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.406 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.68 -45.37 94.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.873 -0.603 . . . . 10.0 110.225 179.327 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 39.1 t -66.92 -39.38 83.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.371 -0.603 . . . . 10.0 109.371 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 31.3 m -60.98 -46.53 90.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.655 -0.702 . . . . 10.0 110.943 179.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 2.4 p -68.58 -28.28 66.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.025 0.441 . . . . 10.0 110.65 179.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 94.0 m -67.3 -43.43 81.71 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 108.625 -0.879 . . . . 10.0 108.625 177.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -60.32 -43.63 96.2 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 115.732 -0.667 . . . . 10.0 110.111 178.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 12.9 m -56.03 -54.1 48.94 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.78 179.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 22.5 mmtp -61.31 -40.74 95.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.352 -0.385 . . . . 10.0 111.668 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 67.6 mt -65.86 -35.41 80.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.348 -0.387 . . . . 10.0 111.055 179.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 55.7 mtt180 -73.48 -35.1 65.63 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 116.645 -0.252 . . . . 10.0 110.951 179.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -65.64 -34.17 77.6 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.498 -0.927 . . . . 10.0 108.498 178.046 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -77.91 -30.83 50.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.326 -0.852 . . . . 10.0 109.881 179.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 10.6 mt -56.24 -34.62 66.51 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.883 -0.599 . . . . 10.0 111.323 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -56.41 -69.79 1.17 Allowed Glycine 0 C--N 1.333 0.384 0 N-CA-C 111.01 -0.836 . . . . 10.0 111.01 178.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -51.91 -40.92 65.85 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.697 2.264 . . . . 10.0 111.534 177.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 56.1 t -55.98 -56.1 14.65 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 O-C-N 123.069 0.231 . . . . 10.0 111.152 179.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 9.2 p -63.57 -38.33 90.72 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 120.929 -0.308 . . . . 10.0 110.923 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -61.78 -47.29 85.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.375 -0.375 . . . . 10.0 111.047 179.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -70.71 -40.89 72.56 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 120.97 0.414 . . . . 10.0 110.877 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -64.25 -44.99 90.09 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.893 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -67.19 -34.57 77.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.423 179.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -62.25 -50.85 70.1 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.821 -0.437 . . . . 10.0 109.821 178.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -63.77 -35.4 80.48 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.185 -0.672 . . . . 10.0 109.185 178.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 6.0 mt -62.65 -40.08 95.9 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.675 -0.693 . . . . 10.0 109.917 178.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -63.59 -41.26 98.35 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-N 116.122 -0.49 . . . . 10.0 109.907 179.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 66.6 mttt -64.99 -41.97 94.93 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.254 -0.647 . . . . 10.0 109.254 178.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.54 -48.08 83.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.081 -0.963 . . . . 10.0 110.051 178.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.57 -34.49 72.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.077 -0.511 . . . . 10.0 111.146 179.558 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -61.03 -43.62 98.62 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.261 -0.644 . . . . 10.0 109.261 178.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -61.68 -42.29 99.73 Favored Glycine 0 N--CA 1.448 -0.549 0 N-CA-C 109.975 -1.25 . . . . 10.0 109.975 178.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 94.0 mt -65.37 -33.64 76.43 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-O 120.762 0.315 . . . . 10.0 110.692 178.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 42.1 mtt180 -67.89 -46.73 70.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.981 0.42 . . . . 10.0 110.279 178.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -65.62 -41.19 92.98 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 121.451 0.644 . . . . 10.0 109.292 179.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -70.32 -20.73 62.98 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.45 -0.796 . . . . 10.0 111.003 179.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 37.3 ttm -62.76 -30.65 71.6 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.967 -0.753 . . . . 10.0 108.967 178.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 19.0 m -73.69 1.56 10.02 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.434 -0.803 . . . . 10.0 110.337 178.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -124.25 -62.91 1.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.734 -0.667 . . . . 10.0 109.279 178.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 246' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -50.37 -49.72 53.47 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.442 -0.799 . . . . 10.0 112.616 -178.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . 35.5 mt -91.01 -38.61 12.71 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.664 0.616 . . . . 10.0 112.664 -179.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -65.29 -45.06 85.94 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 111.934 0.346 . . . . 10.0 111.934 -179.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -69.66 -38.83 77.25 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 121.142 -0.223 . . . . 10.0 110.537 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 250' ' ' VAL . . . . . . . . . . . . . 2.8 p -63.46 -34.42 67.3 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.188 0 C-N-CA 120.968 -0.293 . . . . 10.0 111.011 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -80.97 -32.82 34.22 Favored 'General case' 0 N--CA 1.456 -0.144 0 CA-C-O 120.918 0.389 . . . . 10.0 110.761 179.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -69.27 -38.95 78.64 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.325 -0.62 . . . . 10.0 109.325 179.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -86.61 -16.89 35.32 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.72 -0.673 . . . . 10.0 111.105 179.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 254' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.93 -25.72 38.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.831 0.348 . . . . 10.0 110.654 179.702 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -63.96 -64.48 2.81 Favored Pre-proline 0 N--CA 1.448 -0.539 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.337 179.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -66.57 -30.89 42.38 Favored 'Trans proline' 0 C--N 1.359 1.109 0 C-N-CA 121.85 1.7 . . . . 10.0 112.276 178.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 4.5 m-30 -63.52 -57.37 10.41 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.175 0.512 . . . . 10.0 110.406 179.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 55.9 mt -67.92 -34.19 76.14 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.762 -0.654 . . . . 10.0 111.262 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -64.59 -36.38 84.05 Favored 'General case' 0 CA--C 1.52 -0.178 0 O-C-N 123.211 0.319 . . . . 10.0 110.454 179.304 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -64.91 -52.62 55.44 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 121.292 0.568 . . . . 10.0 109.908 178.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -64.09 -34.54 78.27 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.651 -0.704 . . . . 10.0 110.641 178.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -66.83 -46.82 73.92 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.806 -0.442 . . . . 10.0 109.806 178.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -61.42 -46.22 91.02 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.65 -0.704 . . . . 10.0 109.64 179.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 264' ' ' LYS . . . . . . . . . . . . . 55.4 mttt -66.1 -37.49 85.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.721 -0.672 . . . . 10.0 110.627 178.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -62.4 -40.03 95.18 Favored 'General case' 0 CA--C 1.516 -0.363 0 N-CA-C 109.276 -0.639 . . . . 10.0 109.276 178.122 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -62.51 -39.39 93.36 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.671 -0.695 . . . . 10.0 109.38 178.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -68.72 -45.66 70.98 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.01 -0.541 . . . . 10.0 109.564 178.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -57.96 -48.03 81.16 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 115.975 -0.557 . . . . 10.0 109.829 179.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 59.7 mmm -64.23 -41.31 97.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.371 -0.832 . . . . 10.0 110.712 179.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -60.06 -49.22 78.52 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.04 179.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 59.5 mt -65.27 -43.43 91.25 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.621 -0.718 . . . . 10.0 110.006 179.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -57.91 -43.49 86.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.657 179.681 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 81.9 mtt180 -69.61 -42.85 73.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.099 -0.5 . . . . 10.0 110.34 178.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.78 -23.34 67.32 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.812 -0.631 . . . . 10.0 111.161 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 275' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -94.53 -40.41 9.88 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 116.371 -0.377 . . . . 10.0 111.09 179.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 3.2 p -56.86 -28.13 27.74 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 N-CA-C 112.573 0.582 . . . . 10.0 112.573 -179.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -68.16 -63.13 2.62 Favored Pre-proline 0 CA--C 1.537 0.457 0 N-CA-C 111.881 0.326 . . . . 10.0 111.881 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -69.17 -39.04 8.19 Favored 'Trans proline' 0 C--N 1.353 0.799 0 C-N-CA 121.913 1.742 . . . . 10.0 112.783 179.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 40.4 mt -62.27 -46.02 90.69 Favored 'General case' 0 C--N 1.333 -0.136 0 N-CA-C 111.716 0.265 . . . . 10.0 111.716 -179.228 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 23.2 ttm180 -66.95 -32.02 72.98 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 179.015 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -63.27 -43.47 97.87 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.812 -0.81 . . . . 10.0 108.812 178.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -62.26 -42.18 99.1 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.123 -0.695 . . . . 10.0 109.123 178.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 95.4 mt -64.24 -39.47 94.02 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.389 -0.823 . . . . 10.0 110.458 179.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -64.33 -53.75 43.79 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 120.905 0.384 . . . . 10.0 110.458 179.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -63.25 -36.75 84.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.893 -0.594 . . . . 10.0 110.376 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -68.64 -39.23 86.55 Favored Glycine 0 N--CA 1.445 -0.742 0 N-CA-C 110.392 -1.083 . . . . 10.0 110.392 178.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -65.11 -45.49 84.91 Favored 'General case' 0 CA--C 1.515 -0.379 0 N-CA-C 109.126 -0.694 . . . . 10.0 109.126 178.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -62.01 -34.53 76.37 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.782 -0.451 . . . . 10.0 109.782 179.084 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -68.4 -49.46 59.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.73 -0.668 . . . . 10.0 109.909 179.318 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -65.13 -45.11 86.4 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.838 -0.619 . . . . 10.0 110.748 179.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 69.0 mt -63.86 -31.19 72.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.193 179.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.4 -55.49 30.9 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.993 -0.743 . . . . 10.0 108.993 178.606 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.38 -33.58 75.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.753 179.472 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 59.6 mt -66.0 -50.6 63.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.271 -0.422 . . . . 10.0 109.948 178.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -63.88 -31.06 72.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.972 0.415 . . . . 10.0 110.512 179.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -67.93 -10.34 52.55 Favored 'General case' 0 C--O 1.225 -0.185 0 CA-C-N 115.899 -0.592 . . . . 10.0 110.995 178.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 16.7 mmtp -116.35 -26.83 7.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.242 178.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 48.0 mt -65.7 -38.92 90.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.38 -0.373 . . . . 10.0 111.282 179.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 299' ' ' SER . . . . . . . . . . . . . 19.4 m -72.98 -61.52 1.52 Allowed Pre-proline 0 C--N 1.324 -0.529 0 N-CA-C 113.015 0.746 . . . . 10.0 113.015 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 300' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -64.44 -53.74 0.99 Allowed 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 122.028 1.818 . . . . 10.0 112.944 -179.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 94.6 mt -67.98 -30.41 69.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.672 0.273 . . . . 10.0 110.708 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -69.64 -44.52 63.11 Favored Glycine 0 N--CA 1.451 -0.364 0 N-CA-C 109.879 -1.289 . . . . 10.0 109.879 178.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -60.58 -43.71 97.02 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 108.509 -0.923 . . . . 10.0 108.509 178.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.26 -43.65 94.21 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.073 -0.967 . . . . 10.0 110.049 179.257 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 28.1 ttt -61.65 -35.62 78.46 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.082 0.468 . . . . 10.0 110.001 179.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -68.52 -38.73 81.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.959 -0.564 . . . . 10.0 109.796 178.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -72.03 -38.82 69.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.942 -0.572 . . . . 10.0 109.904 179.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -64.47 -35.34 80.61 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.694 -0.854 . . . . 10.0 108.694 178.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -64.25 -33.52 75.99 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 115.603 -0.726 . . . . 10.0 109.08 178.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 310' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -59.01 -49.98 75.83 Favored 'General case' 0 CA--C 1.519 -0.236 0 N-CA-C 109.118 -0.697 . . . . 10.0 109.118 178.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -67.58 -40.55 84.83 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.236 179.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -54.35 -51.79 63.63 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 115.766 -0.652 . . . . 10.0 109.925 178.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 61.6 t -75.7 -34.55 28.91 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.262 0 CA-C-N 115.757 -0.656 . . . . 10.0 111.541 -179.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -60.19 -47.89 84.05 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.968 0.413 . . . . 10.0 110.053 179.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -61.86 -37.81 85.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.748 -0.66 . . . . 10.0 109.552 178.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 32.4 mt -67.57 -46.06 73.75 Favored 'General case' 0 C--O 1.225 -0.211 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.204 178.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 18.4 mtm105 -59.25 -46.84 87.42 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 120.918 0.39 . . . . 10.0 110.534 179.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 2.9 m -67.05 -16.07 64.12 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 121.358 0.599 . . . . 10.0 111.366 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 6.8 m80 -96.04 -43.11 7.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.912 0.387 . . . . 10.0 110.496 179.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 91.7 mt -67.97 -32.5 72.96 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.858 -0.61 . . . . 10.0 111.688 -179.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -54.16 -60.57 7.16 Favored Pre-proline 0 CA--C 1.539 0.538 0 N-CA-C 112.255 0.465 . . . . 10.0 112.255 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -69.12 -33.21 19.56 Favored 'Trans proline' 0 C--N 1.352 0.732 0 C-N-CA 121.512 1.474 . . . . 10.0 111.409 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 6.5 m-30 -61.94 -50.17 73.22 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 116.244 -0.435 . . . . 10.0 111.081 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 29.1 p -65.95 -39.64 90.63 Favored 'General case' 0 C--O 1.233 0.2 0 O-C-N 123.324 0.39 . . . . 10.0 110.754 -179.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -59.98 -44.32 94.55 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.966 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -78.89 -24.37 44.22 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.176 -0.465 . . . . 10.0 110.239 179.044 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 23.8 tp -65.17 -34.31 78.07 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 107.877 -1.157 . . . . 10.0 107.877 177.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 73.2 mtt180 -62.58 -38.52 90.43 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 108.503 -0.925 . . . . 10.0 108.503 178.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -68.78 -42.99 76.64 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 115.459 -0.791 . . . . 10.0 109.196 178.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 9.8 mtt-85 -59.58 -48.26 82.34 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-N 115.563 -0.744 . . . . 10.0 109.668 178.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 93.7 mt -61.38 -44.11 97.71 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.501 -0.772 . . . . 10.0 110.116 179.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -61.24 -44.45 97.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.496 . . . . 10.0 110.339 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -58.75 -44.65 90.62 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.91 0.385 . . . . 10.0 110.457 179.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 58.9 mtt-85 -66.94 -45.56 77.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.788 -0.642 . . . . 10.0 110.304 179.053 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 36.2 mt -60.92 -41.52 96.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.901 -0.59 . . . . 10.0 111.663 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -64.52 -45.24 88.05 Favored 'General case' 0 C--O 1.232 0.159 0 N-CA-C 109.778 -0.453 . . . . 10.0 109.778 179.007 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -63.05 -50.26 71.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.712 -0.677 . . . . 10.0 110.034 179.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 75.0 mt -66.94 -13.15 61.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.053 -0.521 . . . . 10.0 112.287 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 60.7 tttt -89.7 -48.2 7.43 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.857 -0.423 . . . . 10.0 109.857 178.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -69.91 -52.63 23.04 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.783 -0.451 . . . . 10.0 109.783 179.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -68.22 -36.52 79.64 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.135 -0.691 . . . . 10.0 109.135 178.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -64.96 -40.25 97.04 Favored Glycine 0 N--CA 1.443 -0.866 0 N-CA-C 110.975 -0.85 . . . . 10.0 110.975 179.159 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -63.81 -37.58 94.89 Favored Glycine 0 N--CA 1.451 -0.344 0 N-CA-C 110.216 -1.153 . . . . 10.0 110.216 178.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -65.98 -41.88 90.55 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 108.923 -0.769 . . . . 10.0 108.923 178.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 39.4 mtm180 -63.05 -43.91 97.34 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 115.72 -0.673 . . . . 10.0 109.982 178.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 54.0 mt -61.83 -45.3 94.4 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.67 179.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -63.1 -43.52 98.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.984 -0.553 . . . . 10.0 109.67 178.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -62.62 -47.67 82.74 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 115.653 -0.703 . . . . 10.0 109.976 178.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -60.21 -32.28 70.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.384 -0.371 . . . . 10.0 110.743 179.394 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -62.9 -50.01 72.57 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.044 -0.724 . . . . 10.0 109.044 178.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -63.7 -44.19 94.4 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.586 -0.734 . . . . 10.0 110.185 179.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 19.8 mttm -59.47 -47.26 86.16 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 123.527 0.517 . . . . 10.0 110.05 178.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -63.3 -34.62 78.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.565 179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 72.0 m -63.22 -48.09 79.75 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 109.348 -0.612 . . . . 10.0 109.348 179.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -63.78 -35.17 79.72 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 109.774 -0.454 . . . . 10.0 109.774 179.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -64.56 -38.64 91.71 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.825 -0.625 . . . . 10.0 109.411 178.317 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 92.4 mt -69.43 -38.24 77.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.037 -0.529 . . . . 10.0 109.995 179.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 11.8 m -61.9 -44.55 96.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.106 178.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 1.5 p -74.77 -27.06 60.17 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.012 -0.54 . . . . 10.0 110.175 179.192 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 26.9 tp -70.69 -30.14 66.63 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.14 -0.689 . . . . 10.0 109.14 178.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 21.8 m -66.66 -28.71 68.68 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.685 -0.689 . . . . 10.0 109.422 178.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -71.38 -22.29 61.9 Favored 'General case' 0 C--O 1.227 -0.117 0 N-CA-C 108.721 -0.844 . . . . 10.0 108.721 178.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 363' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -93.13 -27.81 16.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.398 -0.819 . . . . 10.0 110.005 179.125 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -79.97 -41.41 25.99 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.515 -0.766 . . . . 10.0 111.83 -179.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -92.27 -74.35 0.04 OUTLIER Pre-proline 0 C--N 1.322 -0.628 0 N-CA-C 112.944 0.72 . . . . 10.0 112.944 -179.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -61.61 -53.06 2.5 Favored 'Trans proline' 0 C--N 1.355 0.911 0 C-N-CA 122.456 2.104 . . . . 10.0 113.387 -178.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 367' ' ' ALA . . . . . . . . . . . . . . . -57.34 -51.81 67.89 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.215 0.45 . . . . 10.0 112.215 -179.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 16.5 mt -63.18 -37.42 87.14 Favored 'General case' 0 C--N 1.334 -0.081 0 C-N-CA 121.175 -0.21 . . . . 10.0 110.834 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -63.13 -52.81 61.06 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 110.167 -0.308 . . . . 10.0 110.167 178.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.66 -35.98 79.53 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.219 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 33.2 tp -66.17 -45.05 82.28 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.84 -0.618 . . . . 10.0 110.305 179.09 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 65.6 mtt180 -67.39 -36.89 82.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.825 0.345 . . . . 10.0 110.363 179.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -63.83 -20.99 66.22 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.182 178.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -98.8 -36.08 4.64 Favored Glycine 0 N--CA 1.443 -0.892 0 N-CA-C 111.406 -0.678 . . . . 10.0 111.406 179.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 20.3 mt -66.34 -40.23 89.7 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.61 0.226 . . . . 10.0 111.61 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 81.2 mt -52.65 -60.29 6.84 Favored Pre-proline 0 CA--C 1.533 0.313 0 N-CA-C 112.934 0.716 . . . . 10.0 112.934 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -60.68 -33.34 93.39 Favored 'Trans proline' 0 C--N 1.355 0.899 0 C-N-CA 122.073 1.849 . . . . 10.0 111.741 179.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 24.9 t -64.92 -43.13 96.29 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 N-CA-C 109.797 -0.446 . . . . 10.0 109.797 178.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 77.9 mt -61.85 -38.57 88.72 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.834 -0.621 . . . . 10.0 109.904 178.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -61.6 -47.95 83.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.564 179.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.92 -32.89 74.58 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.379 -0.373 . . . . 10.0 110.207 179.149 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -71.97 -36.84 69.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.754 179.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -62.27 -47.76 82.93 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 109.865 -0.42 . . . . 10.0 109.865 178.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 59.5 t -60.46 -49.21 85.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.8 -0.636 . . . . 10.0 111.097 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 3.6 p -63.32 -40.79 98.29 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.365 -0.379 . . . . 10.0 111.087 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -63.64 -43.61 96.3 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.611 179.377 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 27.0 mt -61.98 -41.02 97.56 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.05 -0.523 . . . . 10.0 109.744 178.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 14.9 m -64.67 -39.8 94.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.757 -0.656 . . . . 10.0 109.721 179.075 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -65.08 -40.81 95.18 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.251 179.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 9.3 mt -57.6 -44.02 85.11 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 116.081 -0.509 . . . . 10.0 109.949 178.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -63.86 -41.93 97.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.579 -0.737 . . . . 10.0 110.552 179.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -52.75 -47.45 67.42 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.959 -0.564 . . . . 10.0 111.531 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -64.42 -47.69 78.19 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.95 -0.568 . . . . 10.0 111.25 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 7.3 m -66.86 -20.67 65.96 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.296 0.48 . . . . 10.0 112.296 -179.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -86.16 -45.27 11.5 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.432 0.53 . . . . 10.0 112.432 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -94.41 -36.45 11.9 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 114.47 1.285 . . . . 10.0 114.47 -177.733 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 77.2 mt -94.87 -1.3 52.96 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.185 0.517 . . . . 10.0 111.881 -178.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 34.8 t-20 . . . . . 0 C--N 1.322 -0.623 0 CA-C-N 116.101 -0.5 . . . . 10.0 110.307 -179.635 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 2.8 mm? . . . . . 0 N--CA 1.455 -0.2 0 CA-C-O 120.995 0.426 . . . . 10.0 110.554 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -93.66 32.59 1.39 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.493 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 90.4 mt -69.19 -42.06 76.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.998 -0.546 . . . . 10.0 111.108 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 81.7 mt -68.29 -37.92 81.15 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.968 -179.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -63.23 -46.43 86.97 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.83 -0.623 . . . . 10.0 109.579 178.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -65.59 -46.85 77.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.798 -0.637 . . . . 10.0 109.875 179.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -58.3 -40.29 81.61 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.953 -0.567 . . . . 10.0 111.15 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -65.97 -36.54 83.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.076 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 46.0 m -64.22 -36.43 84.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.289 0.566 . . . . 10.0 109.579 178.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 38.4 t -70.03 -32.27 50.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 CA-C-N 115.561 -0.745 . . . . 10.0 109.059 178.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 21.8 m -62.86 -42.27 99.69 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 108.903 -0.777 . . . . 10.0 108.903 178.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 2.9 m -61.12 -31.68 71.38 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.743 -0.662 . . . . 10.0 109.389 178.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 26.3 m -68.71 -42.02 78.26 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.519 -0.764 . . . . 10.0 109.307 178.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -63.75 -42.19 97.88 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.955 -0.566 . . . . 10.0 109.689 178.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 16.7 m -60.01 -41.25 91.71 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.188 178.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 66.6 mmtt -66.59 -30.08 70.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.988 0.423 . . . . 10.0 110.452 179.317 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 87.3 mt -67.85 -41.8 82.37 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.067 -0.716 . . . . 10.0 109.067 178.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 31.6 mtt180 -66.39 -32.8 74.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.748 -0.66 . . . . 10.0 110.3 179.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -61.82 -33.02 73.39 Favored 'General case' 0 C--O 1.227 -0.089 0 CA-C-N 115.819 -0.628 . . . . 10.0 109.832 179.057 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -87.35 -46.81 9.33 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.588 -0.733 . . . . 10.0 110.175 179.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 19.3 mt -42.12 -50.39 4.77 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 113.059 0.762 . . . . 10.0 113.059 -179.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -55.28 -75.12 0.25 Allowed Glycine 0 CA--C 1.517 0.198 0 C-N-CA 120.735 -0.745 . . . . 10.0 112.385 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -52.22 -43.55 52.63 Favored 'Trans proline' 0 C--O 1.235 0.341 0 C-N-CA 123.251 2.634 . . . . 10.0 113.295 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 41.7 t -58.79 -52.27 62.16 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.22 0 O-C-N 123.254 0.346 . . . . 10.0 111.57 -179.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 12.6 m -64.54 -36.56 84.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.878 0.37 . . . . 10.0 110.747 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -59.71 -50.43 73.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.495 179.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -76.12 -24.04 54.91 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.871 -0.331 . . . . 10.0 110.937 179.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -66.69 -42.6 86.21 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.848 -0.797 . . . . 10.0 108.848 178.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 32.9 m0 -65.31 -39.27 92.28 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.4 -0.593 . . . . 10.0 109.4 178.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -66.13 -39.9 90.22 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.171 -0.678 . . . . 10.0 109.171 178.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.36 -41.49 98.83 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 108.738 -0.838 . . . . 10.0 108.738 177.481 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 27.7 mt -58.84 -39.06 80.13 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 115.657 -0.702 . . . . 10.0 110.272 179.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -61.88 -42.05 98.6 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.128 -0.487 . . . . 10.0 109.931 178.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 36.5 mttp -67.35 -43.49 81.35 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.523 178.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -62.85 -51.19 67.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.692 -0.686 . . . . 10.0 110.695 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 9.0 p -59.33 -48.92 79.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.459 -0.337 . . . . 10.0 110.829 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -61.75 -44.04 97.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.465 -0.334 . . . . 10.0 110.773 179.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -60.83 -47.32 91.79 Favored Glycine 0 N--CA 1.446 -0.66 0 N-CA-C 110.527 -1.029 . . . . 10.0 110.527 178.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 90.9 mt -62.21 -39.14 91.77 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 109.778 -0.453 . . . . 10.0 109.778 178.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 60.6 mtt180 -64.56 -36.75 85.23 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 116.491 -0.322 . . . . 10.0 111.021 179.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -63.0 -30.64 71.76 Favored 'General case' 0 N--CA 1.456 -0.131 0 CA-C-O 121.192 0.52 . . . . 10.0 110.1 179.095 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -85.35 -39.76 17.27 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.01 -0.737 . . . . 10.0 109.01 178.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 85.7 mmm -63.51 -37.76 88.53 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 115.566 -0.743 . . . . 10.0 112.05 -179.277 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 5.5 p -62.45 -46.3 89.12 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.24 0.543 . . . . 10.0 109.763 179.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -70.1 -37.73 75.47 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.629 -0.714 . . . . 10.0 110.658 178.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -67.95 -53.4 26.56 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.921 -0.581 . . . . 10.0 111.98 -179.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 93.5 mt -62.77 -52.51 62.93 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.741 0.645 . . . . 10.0 112.741 -178.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -59.84 -46.08 90.41 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-O 120.661 0.267 . . . . 10.0 111.068 -179.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 447' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -72.44 -24.84 61.27 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 120.897 -0.321 . . . . 10.0 111.069 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -65.29 -38.59 82.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 109.206 -0.665 . . . . 10.0 109.206 178.485 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 74.2 mttt -66.35 -32.71 74.28 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.899 -0.591 . . . . 10.0 109.598 178.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -90.35 6.62 42.37 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.793 -0.639 . . . . 10.0 111.629 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 37.9 mttp -125.82 -41.78 1.95 Allowed 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 111.97 0.359 . . . . 10.0 111.97 179.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 69.6 t -69.35 -39.28 78.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.388 -0.369 . . . . 10.0 110.347 179.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -58.09 -57.55 25.17 Favored Pre-proline 0 CA--C 1.542 0.646 0 CA-C-N 116.619 -0.264 . . . . 10.0 111.329 179.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -65.34 -25.47 56.63 Favored 'Trans proline' 0 C--N 1.357 1.021 0 C-N-CA 121.682 1.588 . . . . 10.0 111.623 178.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -71.87 -43.48 65.38 Favored 'General case' 0 C--O 1.226 -0.184 0 N-CA-C 109.141 -0.688 . . . . 10.0 109.141 178.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 37.4 mt -66.49 -37.15 84.45 Favored 'General case' 0 C--O 1.223 -0.32 0 N-CA-C 109.128 -0.693 . . . . 10.0 109.128 178.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -64.46 -48.75 74.09 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.823 -0.626 . . . . 10.0 109.659 178.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 458' ' ' ASP . . . . . 0.425 ' CG ' ' HZ2' ' D' ' 462' ' ' LYS . 26.4 t70 -62.29 -41.17 98.27 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.028 178.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -65.22 -44.66 87.59 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.936 178.742 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -62.93 -35.6 80.66 Favored 'General case' 0 C--O 1.224 -0.259 0 CA-C-N 116.386 -0.37 . . . . 10.0 110.386 179.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 70.8 mttt -64.67 -37.81 88.86 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.423 -0.584 . . . . 10.0 109.423 178.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 462' ' ' LYS . . . . . 0.425 ' HZ2' ' CG ' ' D' ' 458' ' ' ASP . 7.9 mtmm -75.04 -38.54 61.39 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.843 -0.617 . . . . 10.0 109.656 178.605 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 37.3 m0 -65.58 -41.9 92.37 Favored 'General case' 0 C--O 1.222 -0.354 0 N-CA-C 109.399 -0.593 . . . . 10.0 109.399 178.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -63.82 -44.44 93.24 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.811 -0.811 . . . . 10.0 108.811 178.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 465' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.61 -55.37 34.86 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.355 -0.839 . . . . 10.0 109.436 178.446 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -62.75 -37.83 88.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.453 -0.794 . . . . 10.0 111.418 -179.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 53.2 ttm -61.06 -46.04 92.3 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 109.565 -0.531 . . . . 10.0 109.565 179.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -67.35 -34.46 77.35 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.144 -0.687 . . . . 10.0 109.144 178.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 469' ' ' LEU . . . . . . . . . . . . . 84.4 mt -66.14 -28.2 68.61 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 115.75 -0.659 . . . . 10.0 110.234 178.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -66.39 -29.62 69.83 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 108.425 -0.954 . . . . 10.0 108.425 177.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 68.8 mtt180 -85.05 -17.74 36.52 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.53 -0.759 . . . . 10.0 110.152 179.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -96.06 -14.4 22.95 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.778 -0.646 . . . . 10.0 111.009 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 473' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -124.5 -64.62 1.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.359 -0.382 . . . . 10.0 111.768 -179.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 25.4 t -58.98 -41.7 83.98 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.328 0 N-CA-C 111.834 0.309 . . . . 10.0 111.834 -178.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -59.16 -59.31 14.25 Favored Pre-proline 0 CA--C 1.541 0.618 0 N-CA-C 112.89 0.7 . . . . 10.0 112.89 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -62.39 -37.17 62.27 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 121.431 1.42 . . . . 10.0 111.028 178.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 30.9 mt -65.86 -30.22 70.8 Favored 'General case' 0 C--O 1.225 -0.203 0 CA-C-O 120.793 0.33 . . . . 10.0 110.307 179.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 6.8 ttt-85 -61.78 -37.33 83.93 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.072 -0.714 . . . . 10.0 109.072 178.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -75.44 -39.68 58.55 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.741 -0.663 . . . . 10.0 109.551 178.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.0 -43.73 98.46 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 109.18 -0.674 . . . . 10.0 109.18 178.61 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 96.2 mt -72.23 -27.52 62.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.417 -0.81 . . . . 10.0 110.537 179.023 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -67.98 -46.67 70.68 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 108.789 -0.819 . . . . 10.0 108.789 178.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.34 -37.85 86.29 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.854 -0.795 . . . . 10.0 108.854 177.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -63.56 -39.59 97.79 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 110.422 -1.071 . . . . 10.0 110.422 178.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -68.41 -41.66 80.12 Favored 'General case' 0 C--O 1.223 -0.321 0 N-CA-C 109.416 -0.587 . . . . 10.0 109.416 178.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 75.3 mtt180 -60.64 -42.78 97.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.294 -0.412 . . . . 10.0 110.032 178.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -67.49 -44.55 78.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.939 -0.573 . . . . 10.0 109.828 178.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 59.2 tttt -60.31 -42.06 94.77 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.539 -0.541 . . . . 10.0 109.539 178.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 47.8 mt -62.44 -35.18 78.47 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.8 -0.636 . . . . 10.0 109.701 178.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 50.8 t60 -69.98 -42.17 73.48 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 108.892 -0.781 . . . . 10.0 108.892 178.126 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -59.11 -42.56 90.81 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 108.594 -0.891 . . . . 10.0 108.594 178.275 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 85.0 mt -70.59 -41.01 72.89 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.368 -0.833 . . . . 10.0 110.611 179.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 493' ' ' GLN . . . . . 0.465 ' C ' ' H ' ' D' ' 495' ' ' LYS . 28.1 mt-30 -56.99 -49.17 76.59 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-O 120.637 0.256 . . . . 10.0 110.998 179.478 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -76.61 19.76 0.26 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.264 0.554 . . . . 10.0 111.484 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 495' ' ' LYS . . . . . 0.465 ' H ' ' C ' ' D' ' 493' ' ' GLN . 37.5 mttp -132.27 -49.9 0.93 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.601 -0.727 . . . . 10.0 109.612 178.258 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 42.1 mt -63.58 -28.44 69.93 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.288 -0.414 . . . . 10.0 111.225 179.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 497' ' ' SER . . . . . . . . . . . . . 37.3 m -76.66 -61.05 0.79 Allowed Pre-proline 0 CA--C 1.539 0.52 0 C-N-CA 121.015 -0.274 . . . . 10.0 111.713 178.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 498' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -65.21 -50.31 2.12 Favored 'Trans proline' 0 C--N 1.356 0.953 0 C-N-CA 122.082 1.854 . . . . 10.0 111.87 179.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 499' ' ' LEU . . . . . . . . . . . . . 74.3 mt -70.56 -29.32 65.74 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 116.684 -0.234 . . . . 10.0 110.494 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -62.52 -49.16 76.26 Favored Glycine 0 N--CA 1.448 -0.564 0 N-CA-C 110.723 -0.951 . . . . 10.0 110.723 179.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -71.08 -28.98 64.73 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.901 -0.407 . . . . 10.0 109.901 178.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 502' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -68.36 -46.49 69.96 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.113 -0.699 . . . . 10.0 109.113 178.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 95.3 mmm -63.44 -36.99 85.58 Favored 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 109.059 -0.719 . . . . 10.0 109.059 178.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -63.43 -44.15 95.4 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.09 -0.707 . . . . 10.0 109.09 177.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -62.53 -41.69 99.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.55 -0.75 . . . . 10.0 109.972 179.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 506' ' ' ARG . . . . . . . . . . . . . 80.0 mtt180 -62.47 -47.58 83.38 Favored 'General case' 0 CA--C 1.522 -0.111 0 N-CA-C 108.416 -0.957 . . . . 10.0 108.416 178.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -57.95 -43.49 86.44 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.333 -0.849 . . . . 10.0 110.296 179.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 508' ' ' ARG . . . . . . . . . . . . . 37.6 mtt180 -61.7 -41.74 98.0 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.918 -0.401 . . . . 10.0 109.918 178.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -65.57 -35.87 82.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.77 179.476 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 71.1 m-70 -75.55 -43.82 46.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.319 178.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 41.7 t -63.85 -43.28 97.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.178 179.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -65.3 -32.52 74.22 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.732 -0.47 . . . . 10.0 109.732 179.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -66.02 -44.94 83.26 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 108.523 -0.917 . . . . 10.0 108.523 177.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 514' ' ' LEU . . . . . . . . . . . . . 89.9 mt -59.15 -28.62 66.75 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.914 -0.584 . . . . 10.0 110.912 179.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 515' ' ' ARG . . . . . . . . . . . . . 76.6 mtt180 -65.25 -30.4 71.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.042 0.449 . . . . 10.0 110.556 179.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 1.2 m -105.15 -7.26 19.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.294 0.568 . . . . 10.0 110.693 -179.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 23.6 m170 -100.74 -59.31 1.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.953 -0.567 . . . . 10.0 111.382 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 81.7 mt -77.43 -51.48 10.71 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.708 0.633 . . . . 10.0 112.708 -178.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 519' ' ' ALA . . . . . . . . . . . . . . . -48.31 -59.39 6.08 Favored Pre-proline 0 CA--C 1.538 0.509 0 N-CA-C 113.789 1.033 . . . . 10.0 113.789 -178.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 520' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -64.68 -44.7 10.18 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 121.788 1.659 . . . . 10.0 111.882 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -61.31 -42.65 99.01 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 112.15 0.426 . . . . 10.0 112.15 -179.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 24.7 p -65.35 -30.22 71.03 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.895 0.379 . . . . 10.0 110.837 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -74.83 -38.16 62.1 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.435 -0.58 . . . . 10.0 109.435 178.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -67.91 -33.18 74.21 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 107.798 -1.186 . . . . 10.0 107.798 176.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 7.8 mt -66.17 -34.91 79.11 Favored 'General case' 0 C--O 1.217 -0.615 0 CA-C-N 114.988 -1.006 . . . . 10.0 108.806 177.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 526' ' ' ARG . . . . . . . . . . . . . 58.5 mtt180 -63.35 -34.57 77.99 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 109.48 -0.563 . . . . 10.0 109.48 178.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -67.18 -40.22 86.53 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 108.34 -0.985 . . . . 10.0 108.34 178.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 528' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -67.83 -39.84 83.84 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.733 -0.84 . . . . 10.0 108.733 178.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 97.5 mt -61.93 -39.31 91.6 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.895 -0.593 . . . . 10.0 109.66 178.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -65.24 -37.49 87.43 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.663 -0.699 . . . . 10.0 109.893 178.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -71.1 -40.32 71.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.986 -0.552 . . . . 10.0 109.567 178.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -64.49 -48.94 73.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.807 -0.633 . . . . 10.0 109.453 178.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 79.7 mt -64.41 -28.23 69.54 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.057 179.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -64.66 -48.57 74.29 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 108.423 -0.954 . . . . 10.0 108.423 178.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -68.11 -37.29 80.99 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.674 -0.694 . . . . 10.0 109.723 178.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 93.1 mt -66.98 -26.33 66.76 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.849 -0.614 . . . . 10.0 110.696 179.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -83.1 -41.34 18.69 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.14 -0.689 . . . . 10.0 109.14 178.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -62.43 -51.64 66.72 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 109.199 -0.667 . . . . 10.0 109.199 178.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -71.53 -30.31 65.77 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.574 179.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -65.12 -51.74 47.63 Favored Glycine 0 N--CA 1.447 -0.624 0 CA-C-N 115.88 -0.6 . . . . 10.0 111.642 179.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -62.28 -37.35 94.43 Favored Glycine 0 N--CA 1.448 -0.522 0 N-CA-C 111.049 -0.82 . . . . 10.0 111.049 179.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -67.57 -51.04 55.34 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.945 -0.391 . . . . 10.0 109.945 178.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 56.3 mtt180 -61.69 -32.2 72.38 Favored 'General case' 0 C--O 1.223 -0.303 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.944 179.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 27.0 mt -62.9 -41.41 99.42 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.247 -0.649 . . . . 10.0 109.247 178.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -71.86 -41.69 67.79 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.819 -0.628 . . . . 10.0 109.519 178.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -62.8 -48.88 77.19 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.878 179.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -67.61 -36.27 80.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.326 -0.397 . . . . 10.0 111.004 179.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.17 -44.59 79.33 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 109.248 -0.649 . . . . 10.0 109.248 178.48 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -61.49 -45.5 93.97 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 109.137 -0.69 . . . . 10.0 109.137 178.463 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.43 -30.18 71.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.71 -0.677 . . . . 10.0 110.662 179.133 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -65.9 -42.9 89.63 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.687 -0.486 . . . . 10.0 109.687 178.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.6 -43.33 97.23 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.174 -0.676 . . . . 10.0 109.174 178.273 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -64.74 -41.33 96.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.416 -0.811 . . . . 10.0 109.911 179.202 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 62.6 t60 -64.12 -46.55 83.66 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.059 179.05 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 23.2 tp -61.85 -43.25 99.22 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.368 -0.378 . . . . 10.0 111.172 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 3.7 p -66.48 -40.01 89.07 Favored 'General case' 0 C--O 1.225 -0.202 0 C-N-CA 121.131 -0.228 . . . . 10.0 110.664 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 33.2 m -69.58 -33.16 72.33 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.168 0.508 . . . . 10.0 110.279 179.145 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 14.2 mt -72.07 -50.57 27.21 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.923 -0.581 . . . . 10.0 110.394 178.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 9.0 p -63.39 -31.19 72.27 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.87 0.367 . . . . 10.0 110.628 179.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -56.62 -32.28 65.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.293 -0.867 . . . . 10.0 110.746 178.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 51.9 mttp -109.29 -23.22 11.69 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 116.236 -0.438 . . . . 10.0 111.438 179.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -59.06 -48.58 81.09 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-O 120.725 0.298 . . . . 10.0 111.143 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -58.63 -58.33 20.03 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.009 -0.541 . . . . 10.0 111.523 179.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -59.59 -37.59 87.46 Favored 'Trans proline' 0 C--N 1.359 1.082 0 C-N-CA 122.234 1.956 . . . . 10.0 111.868 178.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -62.46 -49.52 75.11 Favored 'General case' 0 CA--C 1.514 -0.431 0 N-CA-C 110.172 -0.307 . . . . 10.0 110.172 179.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 22.5 mt -58.29 -48.28 81.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.203 179.025 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -61.35 -49.86 75.24 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.995 -0.548 . . . . 10.0 111.755 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -62.96 -42.77 99.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.854 0.359 . . . . 10.0 110.861 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 37.5 mt -60.87 -44.36 97.15 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 109.667 -0.494 . . . . 10.0 109.667 179.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 75.7 mtt180 -63.43 -43.1 98.42 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.945 0.402 . . . . 10.0 110.142 178.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -63.32 -25.68 68.41 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.588 -0.733 . . . . 10.0 111.368 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -92.82 -36.77 5.96 Favored Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 111.17 -0.772 . . . . 10.0 111.17 179.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 21.2 mt -64.27 -42.39 96.47 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.167 0.432 . . . . 10.0 112.167 -179.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 61.8 mt -53.34 -60.67 6.39 Favored Pre-proline 0 CA--C 1.535 0.389 0 N-CA-C 112.803 0.668 . . . . 10.0 112.803 -179.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -65.07 -39.79 22.65 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 121.917 1.745 . . . . 10.0 111.817 179.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 7.7 t -60.9 -41.26 88.17 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-O 120.843 0.354 . . . . 10.0 110.83 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 20.0 mt -64.5 -34.99 79.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.123 178.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -66.93 -40.7 87.67 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 108.789 -0.819 . . . . 10.0 108.789 178.17 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 2.7 m -65.51 -38.4 89.57 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 108.745 -0.835 . . . . 10.0 108.745 178.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 2.3 m-30 -62.6 -41.32 98.9 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.678 -0.692 . . . . 10.0 110.183 178.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -63.26 -41.39 99.04 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.106 -0.701 . . . . 10.0 109.106 178.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 53.1 t -61.34 -48.52 88.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.612 -0.722 . . . . 10.0 110.473 179.139 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 1.2 p -66.79 -40.25 88.08 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.123 -0.49 . . . . 10.0 111.375 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -62.79 -48.28 79.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.017 179.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 70.5 mt -60.0 -50.02 75.39 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.891 -0.595 . . . . 10.0 111.424 -179.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 7.5 p -62.96 -31.73 72.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.698 0.285 . . . . 10.0 111.4 -179.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -75.69 -54.26 7.24 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.712 0.292 . . . . 10.0 110.413 178.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 94.4 mt -56.79 -45.33 82.25 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.004 -0.544 . . . . 10.0 112.087 -179.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -58.74 -43.78 90.35 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.512 -0.313 . . . . 10.0 111.301 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -74.82 -35.26 62.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.494 -0.321 . . . . 10.0 111.415 -179.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -61.07 -43.4 98.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.037 0.446 . . . . 10.0 109.804 178.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 4.8 m -71.76 -10.0 59.12 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 115.721 -0.672 . . . . 10.0 111.231 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -88.76 -46.25 9.13 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.106 0.479 . . . . 10.0 109.907 178.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 11.1 mptt -75.72 -40.03 56.3 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.854 -0.612 . . . . 10.0 111.848 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 82.3 mt -93.11 33.39 1.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.119 0.485 . . . . 10.0 110.557 179.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 . . . . . 0 C--N 1.325 -0.468 0 CA-C-N 115.921 -0.582 . . . . 10.0 111.095 -179.746 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 4.2 m . . . . . 0 CA--C 1.53 0.203 0 CA-C-O 121.135 0.493 . . . . 10.0 110.792 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.87 121.89 39.08 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.104 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -97.82 132.64 43.24 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.386 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -121.28 114.67 21.7 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.412 -0.358 . . . . 10.0 110.089 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 52.3 mttm -81.62 107.82 14.68 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.444 -0.343 . . . . 10.0 110.168 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 8.6 mt -116.42 126.95 54.15 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.154 -0.475 . . . . 10.0 111.132 -178.321 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 88.6 t -107.88 131.44 58.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.725 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 11.8 t -90.85 120.05 39.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 108.84 -0.8 . . . . 10.0 108.84 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 13.9 m -116.52 144.64 23.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 120.87 0.367 . . . . 10.0 111.688 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 154.9 167.8 17.2 Favored Glycine 0 N--CA 1.447 -0.597 0 N-CA-C 111.456 -0.657 . . . . 10.0 111.456 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.17 171.36 11.14 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 121.131 0.491 . . . . 10.0 111.437 -179.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -84.33 123.79 30.56 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.115 0.484 . . . . 10.0 111.238 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 116.65 -9.69 16.58 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.683 -0.77 . . . . 10.0 112.596 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 17.2 m -78.73 -9.61 12.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.956 0.408 . . . . 10.0 111.105 179.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 97.38 32.97 6.11 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 121.054 -0.593 . . . . 10.0 111.682 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 6.9 mmmm -52.48 -57.83 8.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.094 0.473 . . . . 10.0 111.313 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.43 -28.17 41.71 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.724 -0.671 . . . . 10.0 111.474 -179.083 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.12 -47.67 82.58 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.45 -0.341 . . . . 10.0 111.281 -179.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 79.7 mt -65.03 -39.15 92.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.185 0.517 . . . . 10.0 110.75 179.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 21.5 m -65.08 -51.56 60.69 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.44 -36.22 71.68 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 CA-C-N 116.603 -0.271 . . . . 10.0 111.485 -179.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -66.62 -24.89 66.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.985 0.421 . . . . 10.0 110.806 179.514 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 18.2 tp -91.28 -35.3 14.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.458 -0.337 . . . . 10.0 110.964 179.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 47.5 mm -81.49 -61.45 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 112.283 0.475 . . . . 10.0 112.283 -179.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -91.03 -11.37 38.99 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.342 -0.39 . . . . 10.0 111.977 -178.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 71.1 19.98 5.34 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 114.187 1.18 . . . . 10.0 114.187 178.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -131.35 156.86 44.79 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.483 -0.487 . . . . 10.0 111.684 179.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -95.17 130.79 41.75 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.259 -179.125 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 2.0 m -91.89 116.33 32.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.191 -0.458 . . . . 10.0 110.521 179.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -94.73 18.21 12.08 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.353 0.597 . . . . 10.0 109.814 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -126.96 130.08 49.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.718 -0.674 . . . . 10.0 110.692 -179.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -59.84 142.25 53.81 Favored 'General case' 0 C--O 1.237 0.402 0 O-C-N 123.368 0.418 . . . . 10.0 111.342 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -146.21 105.14 4.1 Favored Pre-proline 0 C--O 1.236 0.383 0 CA-C-N 115.887 -0.597 . . . . 10.0 111.4 -179.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -71.1 79.2 1.39 Allowed 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.914 2.409 . . . . 10.0 111.32 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.3 111.23 5.08 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.56 -0.746 . . . . 10.0 111.177 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 45.8 mm -78.14 -49.19 21.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.546 -0.538 . . . . 10.0 109.546 179.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -174.08 101.67 0.1 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.811 -0.631 . . . . 10.0 110.406 179.32 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -133.12 136.27 45.71 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.419 -0.585 . . . . 10.0 109.419 179.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 2.2 m -105.28 146.81 28.82 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.815 0.341 . . . . 10.0 111.489 -178.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -134.04 123.04 23.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.118 -179.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -101.73 128.24 48.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.172 -0.467 . . . . 10.0 111.399 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 47.6 tttp -142.2 122.75 14.13 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.141 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -100.24 125.6 46.44 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.616 -0.513 . . . . 10.0 109.616 179.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -141.14 166.22 18.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 120.936 0.398 . . . . 10.0 111.211 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 15.8 t -96.99 107.47 19.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.779 -0.646 . . . . 10.0 109.707 179.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 37.5 mt -117.89 126.87 75.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.2 -0.455 . . . . 10.0 110.083 -179.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 63.77 14.23 8.09 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 115.909 -0.587 . . . . 10.0 111.988 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 98.88 3.09 57.11 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.905 -0.664 . . . . 10.0 112.435 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -117.19 143.34 45.96 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.897 0.349 . . . . 10.0 111.094 -179.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -85.2 105.86 16.21 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 109.054 -0.721 . . . . 10.0 109.054 178.431 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 3.3 m -116.88 147.46 42.17 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.315 -0.402 . . . . 10.0 111.513 -178.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 18.0 tp -105.6 116.34 31.77 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.344 -0.613 . . . . 10.0 109.344 178.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 53.2 mt -88.69 122.47 32.15 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.323 -0.399 . . . . 10.0 110.928 -179.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -99.69 88.95 3.96 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.408 -0.96 . . . . 10.0 108.408 178.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 mt -86.41 137.93 19.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.058 0.456 . . . . 10.0 111.331 -178.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 66.2 tp -137.04 111.16 8.34 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.879 -0.6 . . . . 10.0 110.572 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -84.27 124.8 31.61 Favored 'General case' 0 CA--C 1.519 -0.227 0 N-CA-C 109.501 -0.555 . . . . 10.0 109.501 179.181 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 40.6 p -102.1 147.69 26.3 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.248 -179.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.18 104.36 1.79 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.214 0.53 . . . . 10.0 111.029 179.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -82.86 35.29 2.72 Favored Glycine 0 N--CA 1.454 -0.13 0 C-N-CA 121.033 -0.604 . . . . 10.0 112.446 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -99.76 10.11 41.89 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.08 0.467 . . . . 10.0 110.935 -179.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.515 ' CG ' ' H ' ' B' ' 63' ' ' GLU . 3.4 tp10 65.1 -166.81 0.22 Allowed 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.524 -0.762 . . . . 10.0 112.595 178.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . 0.515 ' H ' ' CG ' ' B' ' 62' ' ' GLU . 0.5 OUTLIER 77.02 -10.14 1.4 Allowed 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.782 0.833 . . . . 10.0 112.193 -179.611 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 21.4 m-30 -93.26 109.16 20.69 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.914 0.388 . . . . 10.0 111.825 -179.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 2.6 p -108.34 -65.21 1.14 Allowed 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.018 -0.734 . . . . 10.0 109.018 178.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.63 -34.65 60.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.58 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 26.5 ttt -62.43 -39.23 92.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.27 -0.423 . . . . 10.0 111.11 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 7.3 ttp180 -69.74 -34.66 74.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.695 -0.684 . . . . 10.0 111.054 -179.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -57.61 -37.68 73.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.423 -0.808 . . . . 10.0 112.255 -179.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -58.19 -66.17 0.53 Allowed 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.88 0.696 . . . . 10.0 112.88 -178.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -67.12 -20.49 65.78 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.847 0.684 . . . . 10.0 112.847 -178.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 22.9 mtt -67.87 -36.8 80.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.766 0.317 . . . . 10.0 110.734 179.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 6.6 mtm180 -76.04 -37.4 58.39 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.974 0.416 . . . . 10.0 110.776 179.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 4.3 m -71.8 -36.32 70.25 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.749 -0.659 . . . . 10.0 111.587 -179.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.5 145.26 48.44 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.811 -0.709 . . . . 10.0 112.358 -179.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -103.0 -39.06 7.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.907 0.384 . . . . 10.0 110.221 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -121.48 139.82 13.41 Favored Glycine 0 N--CA 1.447 -0.63 0 N-CA-C 111.04 -0.824 . . . . 10.0 111.04 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -125.67 128.92 48.57 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.008 0.433 . . . . 10.0 111.126 -179.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 9.8 tp -109.43 114.33 27.89 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.684 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 10.8 m -84.28 99.51 10.63 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 120.976 0.417 . . . . 10.0 110.113 179.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 49.0 t -98.08 128.83 49.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.599 -0.728 . . . . 10.0 110.008 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 30.6 p90 -141.9 156.34 45.5 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.548 179.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -98.67 128.87 45.09 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.076 -0.713 . . . . 10.0 109.076 178.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 26.0 pt -66.53 -12.09 14.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 120.767 0.318 . . . . 10.0 111.349 -179.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -95.9 9.55 40.22 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.822 -0.626 . . . . 10.0 110.813 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -140.45 106.65 5.24 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.4 179.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.69 -33.13 75.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 10.0 112.29 -179.285 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 26.0 tptp -54.81 -47.39 74.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.021 0.439 . . . . 10.0 110.839 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 19.9 m -63.57 -25.43 68.24 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.988 -0.551 . . . . 10.0 112.348 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -75.51 -38.52 59.38 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.154 0.502 . . . . 10.0 110.569 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -75.12 -32.35 61.37 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.425 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.53 -28.28 69.21 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.764 -0.653 . . . . 10.0 111.378 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 41.4 mm -54.33 -43.33 61.71 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.174 179.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 69.5 t60 -59.05 -52.19 66.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.044 -0.526 . . . . 10.0 111.259 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 72.8 m-70 -64.76 -33.39 75.86 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.042 -0.527 . . . . 10.0 111.604 -178.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -68.03 -47.84 67.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.598 -0.274 . . . . 10.0 110.297 178.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 17.3 ttt180 -58.55 -47.96 82.49 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.594 179.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -62.34 -39.2 92.31 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.783 -0.644 . . . . 10.0 111.155 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -66.37 -50.82 62.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.13 -0.486 . . . . 10.0 111.151 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 73.6 mt -57.93 -39.28 70.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-O 120.773 0.321 . . . . 10.0 110.788 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 22.9 mtmt -63.43 -31.18 72.27 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.121 0.486 . . . . 10.0 111.496 179.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? -80.18 -35.59 36.21 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.33 -0.395 . . . . 10.0 110.501 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 57.6 t -68.45 -57.77 8.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.306 -0.407 . . . . 10.0 111.8 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 30.9 mtpp -81.37 -12.61 58.93 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 111.865 0.32 . . . . 10.0 111.865 -178.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 33.6 t0 58.59 56.75 4.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.244 0.545 . . . . 10.0 112.183 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 8.1 t -154.14 128.77 9.3 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.745 -0.661 . . . . 10.0 109.696 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -78.02 -43.78 28.46 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.316 -0.402 . . . . 10.0 111.156 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -91.35 105.48 17.81 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.232 0.539 . . . . 10.0 111.548 -179.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 95.5 t -133.76 129.71 20.41 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 115.473 -0.785 . . . . 10.0 109.657 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -59.04 106.71 0.31 Allowed 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.908 2.405 . . . . 10.0 112.443 179.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 65.1 mtm -132.26 150.41 52.16 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.357 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 98.5 t -129.77 132.7 65.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 109.53 -0.544 . . . . 10.0 109.53 179.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 15.9 tp -82.72 114.62 21.19 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.056 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 97.5 t -105.26 107.35 22.4 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 N-CA-C 112.606 0.595 . . . . 10.0 112.606 -178.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -92.97 105.3 3.29 Favored Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 108.834 -1.707 . . . . 10.0 108.834 177.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 34.3 t-20 -99.36 154.39 18.23 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 112.534 0.568 . . . . 10.0 112.534 -177.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 4.9 mtmm 74.5 38.1 0.52 Allowed 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.15 -0.932 . . . . 10.0 112.99 179.234 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 56.6 m -75.34 -9.48 58.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.913 -0.585 . . . . 10.0 112.257 179.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -86.67 -10.72 53.16 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.968 0.414 . . . . 10.0 111.258 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 62.6 mt -89.88 137.43 28.3 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 116.233 -0.44 . . . . 10.0 110.345 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -72.72 163.88 37.18 Favored 'Trans proline' 0 C--O 1.235 0.348 0 C-N-CA 122.876 2.384 . . . . 10.0 112.802 -179.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 1.8 m 55.56 71.0 0.58 Allowed 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.85 -0.614 . . . . 10.0 112.459 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -88.75 137.33 32.42 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.822 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.93 -51.58 13.41 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.198 -0.456 . . . . 10.0 110.921 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 76.5 t -86.46 112.96 23.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.121 -0.696 . . . . 10.0 109.121 178.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -74.45 149.89 40.18 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.067 -0.515 . . . . 10.0 109.924 -179.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.39 -28.33 66.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.107 0.479 . . . . 10.0 109.88 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 15.0 mttp -59.2 -58.63 7.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.311 -0.859 . . . . 10.0 111.133 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -68.28 -26.93 65.9 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 112.452 0.538 . . . . 10.0 112.452 -179.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.42 -47.08 83.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.03 0.443 . . . . 10.0 110.313 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -79.59 -24.93 41.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.722 179.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -64.58 -42.57 95.54 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.707 -0.678 . . . . 10.0 110.629 179.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 17.1 tp -69.39 -32.41 71.41 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.616 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -71.29 -19.92 62.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.95 -0.568 . . . . 10.0 112.061 -179.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 34.5 mtm105 -56.79 -60.96 2.79 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.228 0.455 . . . . 10.0 112.228 -179.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 2.6 m -68.37 -18.84 64.57 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.804 -0.635 . . . . 10.0 112.525 -178.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 17.2 m-30 -82.22 -38.91 23.85 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.948 -0.301 . . . . 10.0 110.813 179.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 93.23 11.13 58.87 Favored Glycine 0 C--N 1.332 0.318 0 C-N-CA 121.038 -0.601 . . . . 10.0 112.379 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 44.3 pt -102.59 156.38 35.35 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-O 120.499 0.19 . . . . 10.0 110.82 -179.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -88.44 158.0 6.63 Favored 'Trans proline' 0 N--CA 1.457 -0.653 0 C-N-CA 122.755 2.303 . . . . 10.0 112.274 179.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -133.57 132.75 41.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.849 -0.614 . . . . 10.0 110.184 179.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 3.5 mp -130.59 139.12 52.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.408 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -77.37 136.55 38.44 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.581 -0.896 . . . . 10.0 108.581 178.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -136.83 153.66 50.73 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 113.344 0.868 . . . . 10.0 113.344 -178.201 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 15.7 t -153.65 117.96 4.87 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.807 -1.088 . . . . 10.0 108.287 178.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -79.79 -16.12 56.13 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.003 0.43 . . . . 10.0 110.701 -179.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 72.4 tttt -72.02 -32.73 67.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.833 -0.621 . . . . 10.0 110.658 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 2.0 p -115.95 -10.34 11.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.306 -0.406 . . . . 10.0 110.965 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 3.9 mtt-85 66.87 25.51 9.49 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 115.525 -0.761 . . . . 10.0 111.956 -179.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -75.03 118.63 18.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.298 -0.41 . . . . 10.0 111.55 -179.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 66.81 13.32 61.2 Favored Glycine 0 C--N 1.335 0.474 0 CA-C-N 115.975 -0.557 . . . . 10.0 114.191 178.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 41.8 t -67.9 -56.3 13.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 112.564 0.579 . . . . 10.0 112.564 -178.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.15 -38.41 90.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.654 0.264 . . . . 10.0 110.942 -178.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -63.11 -38.53 91.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.349 -0.387 . . . . 10.0 111.613 -179.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -59.37 -40.23 85.82 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.814 0.34 . . . . 10.0 110.438 179.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -69.3 -38.66 78.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.831 179.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 19.0 m-30 -68.42 -33.3 73.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.886 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 32.5 m -61.88 -37.1 83.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.069 179.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.07 -39.68 93.23 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.448 179.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 3.4 t -68.85 -38.61 78.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.232 179.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 1.7 tpp180 -59.02 -40.46 85.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.681 -0.691 . . . . 10.0 111.068 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -64.02 -36.66 84.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 10.0 111.176 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 69.2 mt -68.22 -40.18 82.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.131 -0.486 . . . . 10.0 109.722 179.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 57.0 mtp180 -66.5 -32.97 74.67 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.337 0.589 . . . . 10.0 110.317 179.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt . . . . . 0 C--N 1.324 -0.503 0 CA-C-N 115.749 -0.659 . . . . 10.0 110.017 178.916 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 13.3 m . . . . . 0 C--O 1.237 0.429 0 CA-C-O 121.022 0.439 . . . . 10.0 111.005 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 1.2 m -93.87 125.8 38.7 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.421 -179.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -93.93 134.48 36.27 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 116.403 -0.362 . . . . 10.0 110.109 179.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -123.19 116.95 24.25 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.611 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 58.2 mttm -87.96 106.66 18.27 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.037 -0.529 . . . . 10.0 109.669 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 14.8 mt -111.74 131.57 55.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.96 -0.564 . . . . 10.0 111.527 -178.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 32.4 t -116.78 127.99 74.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.288 -0.415 . . . . 10.0 110.163 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 6.4 t -91.89 113.25 26.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 109.152 -0.685 . . . . 10.0 109.152 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 18.0 m -113.25 151.99 15.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.208 0.528 . . . . 10.0 111.604 -178.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 156.28 178.08 30.08 Favored Glycine 0 N--CA 1.446 -0.648 0 N-CA-C 111.329 -0.708 . . . . 10.0 111.329 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.3 154.26 37.47 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.266 0.555 . . . . 10.0 111.385 -179.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -68.81 111.69 5.04 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.573 -0.739 . . . . 10.0 110.991 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.5 -0.89 14.11 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.481 -0.866 . . . . 10.0 113.812 178.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 33.6 m -76.46 -25.0 16.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.997 0.398 . . . . 10.0 111.74 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 108.3 30.87 3.7 Favored Glycine 0 CA--C 1.52 0.403 0 C-N-CA 120.558 -0.829 . . . . 10.0 113.167 179.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 27.3 mtmt -62.46 -37.04 84.39 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.01 0.433 . . . . 10.0 110.974 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 3.7 m -73.83 -44.3 56.09 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.281 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.24 -48.72 78.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.949 -0.569 . . . . 10.0 111.553 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 60.7 mt -59.27 -47.67 84.5 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.903 0.383 . . . . 10.0 111.134 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 10.1 m -64.16 -45.9 86.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 10.0 111.693 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.23 -32.44 54.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.553 0.216 . . . . 10.0 110.842 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -64.07 -22.3 66.87 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 112.266 0.469 . . . . 10.0 112.266 179.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 22.2 tp -103.18 -34.73 8.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.943 0.402 . . . . 10.0 110.612 179.173 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 41.3 mm -74.99 -62.9 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.096 -0.502 . . . . 10.0 111.929 -179.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -93.91 -17.8 22.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.908 0.385 . . . . 10.0 110.82 -179.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 70.31 41.94 0.98 Allowed 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 114.099 1.148 . . . . 10.0 114.099 177.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 12.4 p80 -150.14 160.27 43.79 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 110.096 -0.335 . . . . 10.0 110.096 178.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -106.21 142.43 35.91 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.742 0.306 . . . . 10.0 111.297 -178.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 2.4 m -119.26 128.52 75.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.307 179.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -88.96 -24.81 22.33 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.27 0.557 . . . . 10.0 110.495 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -72.8 149.77 43.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.873 -0.603 . . . . 10.0 110.561 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -97.71 127.23 43.51 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.329 0.492 . . . . 10.0 112.329 -179.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -132.31 98.65 16.72 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.08 179.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -53.3 119.36 6.03 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 123.159 2.573 . . . . 10.0 111.956 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.6 116.72 29.25 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.293 -179.631 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 51.4 mm -75.95 -49.34 26.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 108.48 -0.933 . . . . 10.0 108.48 178.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -176.65 96.61 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 114.926 -1.034 . . . . 10.0 109.892 178.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -116.25 147.01 41.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.014 -0.539 . . . . 10.0 110.124 -179.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 5.3 p -127.05 141.51 51.76 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.775 0.321 . . . . 10.0 111.213 -179.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -133.3 140.33 47.38 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.665 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 2.1 mpp_? -113.74 135.64 53.72 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.817 0.341 . . . . 10.0 110.845 179.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 41.1 tttp -148.75 130.68 15.24 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.207 -0.451 . . . . 10.0 110.433 179.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.84 121.92 38.08 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.121 -0.49 . . . . 10.0 109.863 179.096 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 12.8 m -133.26 162.24 40.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.949 0.404 . . . . 10.0 111.036 -179.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 14.5 t -102.54 100.64 10.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.899 -0.591 . . . . 10.0 109.742 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 51.9 mt -107.02 117.9 53.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.312 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 61.28 24.03 14.19 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.703 -0.681 . . . . 10.0 111.576 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.41 0.71 72.8 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.625 -0.798 . . . . 10.0 112.391 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -104.45 142.92 33.75 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.887 0.375 . . . . 10.0 110.95 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 7.2 m -81.31 100.17 9.04 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.064 -1.088 . . . . 10.0 108.064 178.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 11.5 m -101.41 129.84 47.51 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.205 -0.452 . . . . 10.0 112.116 -178.112 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 62.1 tp -97.99 111.23 23.62 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.256 -1.016 . . . . 10.0 108.256 178.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 16.9 mt -90.52 127.25 36.18 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 112.534 0.568 . . . . 10.0 112.534 -178.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -116.68 84.47 2.14 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 106.895 -1.521 . . . . 10.0 106.895 177.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 10.9 mt -84.88 140.12 16.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.54 -0.755 . . . . 10.0 111.747 -177.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 23.5 tp -132.94 116.23 16.19 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.29 -0.414 . . . . 10.0 111.522 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -100.12 104.67 16.24 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 109.476 -0.564 . . . . 10.0 109.476 178.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 45.9 p -93.47 165.03 12.96 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 116.012 -0.54 . . . . 10.0 111.27 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.84 132.81 47.36 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.573 179.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -112.16 30.38 7.7 Favored Glycine 0 CA--C 1.517 0.177 0 N-CA-C 111.583 -0.607 . . . . 10.0 111.583 179.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -94.15 20.6 7.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.826 0.346 . . . . 10.0 111.113 -179.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 62.04 -170.45 0.17 Allowed 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.601 -0.727 . . . . 10.0 111.799 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 75.53 -38.12 0.35 Allowed 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.49 0.716 . . . . 10.0 111.964 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -74.76 49.29 0.4 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.351 0.5 . . . . 10.0 112.351 -179.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.53 -37.04 82.14 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.727 0.299 . . . . 10.0 110.838 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.66 -43.98 44.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.302 0.572 . . . . 10.0 110.401 179.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 21.2 ttt -65.1 -30.48 71.43 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.787 -0.642 . . . . 10.0 110.913 179.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 68' ' ' ARG . . . . . . . . . . . . . 20.3 ttp180 -66.01 -45.83 80.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.639 -0.71 . . . . 10.0 110.493 179.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -57.51 -41.76 81.44 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.755 -0.657 . . . . 10.0 111.265 -179.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -55.64 -51.24 67.87 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 113.071 0.767 . . . . 10.0 113.071 -179.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 71' ' ' TYR . . . . . . . . . . . . . 10.0 p90 -78.92 -10.96 59.97 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 113.431 0.9 . . . . 10.0 113.431 -178.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 37.4 mtt -71.89 -22.9 61.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.082 0.468 . . . . 10.0 110.761 179.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 15.8 mtt180 -74.93 -43.3 54.97 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.704 -0.68 . . . . 10.0 111.098 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.68 -28.82 51.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.435 -0.348 . . . . 10.0 111.357 179.777 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.08 126.6 31.68 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.979 -0.629 . . . . 10.0 113.188 -179.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -96.44 -50.86 4.58 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.666 -0.494 . . . . 10.0 109.666 179.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -114.1 129.1 8.57 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 110.922 -0.871 . . . . 10.0 110.922 179.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 78' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -107.92 116.59 32.24 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.354 0.597 . . . . 10.0 111.976 -178.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 14.6 tp -88.19 96.81 10.69 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.219 -0.9 . . . . 10.0 109.582 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 58.5 m -78.36 96.19 5.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.116 -0.493 . . . . 10.0 109.936 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 51.1 t -103.89 134.58 44.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.095 -0.502 . . . . 10.0 111.191 -179.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 27.9 p90 -138.43 167.93 20.85 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.008 179.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -105.01 133.51 49.67 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.187 -0.461 . . . . 10.0 110.193 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 84' ' ' ILE . . . . . . . . . . . . . 36.7 pt -69.8 -16.44 20.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.921 0.391 . . . . 10.0 111.465 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -98.47 -0.85 42.65 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.546 179.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -126.72 99.34 5.73 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.634 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 1.5 m -62.12 -30.99 71.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.898 -0.592 . . . . 10.0 111.719 -178.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -57.99 -47.73 82.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.368 -0.378 . . . . 10.0 111.227 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 62.3 p -61.81 -31.03 71.23 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.262 0.467 . . . . 10.0 112.262 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -67.74 -43.02 80.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.214 0.531 . . . . 10.0 110.435 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -80.2 -23.31 41.05 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.068 -0.515 . . . . 10.0 110.875 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.26 -32.03 72.69 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.416 -0.811 . . . . 10.0 110.538 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 49.9 mm -56.87 -38.44 59.15 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-N 115.629 -0.714 . . . . 10.0 111.711 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -60.96 -42.39 98.2 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.31 -0.404 . . . . 10.0 110.473 -179.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -62.66 -39.97 95.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.553 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -69.42 -44.11 72.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.991 -0.549 . . . . 10.0 111.309 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -56.7 -46.7 81.07 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.49 -0.323 . . . . 10.0 111.369 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -61.18 -38.57 86.98 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.984 -0.553 . . . . 10.0 111.685 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -71.15 -45.06 64.29 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.626 -0.43 . . . . 10.0 110.985 179.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 87.4 mt -55.74 -43.53 74.01 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-O 121.094 0.474 . . . . 10.0 109.936 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 3.8 mtmt -62.18 -35.46 78.92 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.357 -0.838 . . . . 10.0 111.063 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 33.1 ttm180 -73.67 -37.81 65.14 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.126 -0.488 . . . . 10.0 111.489 -179.238 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 60.4 t -72.5 -54.15 17.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 112.246 0.461 . . . . 10.0 112.246 -178.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -80.33 -21.08 42.87 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 116.419 -0.355 . . . . 10.0 111.952 -178.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 21.8 t70 59.69 60.54 2.19 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.687 0.756 . . . . 10.0 110.704 -179.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 23.2 t -156.6 140.44 16.16 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.181 -0.918 . . . . 10.0 109.454 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -88.02 -39.3 14.77 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.495 0.664 . . . . 10.0 109.488 179.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -85.4 90.56 7.97 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.478 -0.783 . . . . 10.0 109.763 179.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 41.2 t -118.09 130.91 24.43 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 116.053 -0.522 . . . . 10.0 110.251 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -66.39 97.14 0.36 Allowed 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.831 2.354 . . . . 10.0 111.417 179.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 111' ' ' MET . . . . . . . . . . . . . 72.1 mtm -136.29 143.54 44.25 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.959 -0.564 . . . . 10.0 109.993 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 60.1 t -124.6 141.7 43.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.631 -0.507 . . . . 10.0 109.631 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 18.9 tp -98.79 117.72 33.91 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.214 -0.662 . . . . 10.0 109.214 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 53.5 t -126.24 129.13 72.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.134 0.493 . . . . 10.0 111.63 -178.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -101.22 136.13 12.55 Favored Glycine 0 N--CA 1.448 -0.51 0 N-CA-C 110.074 -1.211 . . . . 10.0 110.074 178.471 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -109.29 165.42 11.64 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 117.229 0.515 . . . . 10.0 110.986 -179.497 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 82.7 mttt 63.1 35.66 12.78 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.726 -0.67 . . . . 10.0 112.643 179.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 118' ' ' CYS . . . . . . . . . . . . . 1.4 m -72.05 -8.21 53.27 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 112.95 0.722 . . . . 10.0 112.95 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -86.72 -14.79 41.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.899 0.38 . . . . 10.0 110.325 179.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 53.8 mt -85.93 129.28 54.88 Favored Pre-proline 0 C--O 1.235 0.335 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.175 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_exo -71.59 165.93 30.99 Favored 'Trans proline' 0 C--O 1.235 0.367 0 C-N-CA 122.902 2.401 . . . . 10.0 112.412 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 6.1 m 66.25 77.17 0.29 Allowed 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.68 -0.691 . . . . 10.0 111.085 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 -106.66 144.13 33.77 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.637 -0.711 . . . . 10.0 111.415 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.56 -37.68 13.68 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.351 -0.386 . . . . 10.0 110.261 179.458 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 25.6 t -96.35 101.61 12.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.057 -0.52 . . . . 10.0 110.482 179.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -78.11 156.17 30.11 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.755 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 3.1 m -55.96 -30.25 61.43 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 112.026 0.38 . . . . 10.0 112.026 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 37.8 mtmm -57.72 -63.61 1.18 Allowed 'General case' 0 N--CA 1.46 0.072 0 CA-C-O 120.85 0.357 . . . . 10.0 111.422 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -66.42 -30.51 70.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.345 -0.389 . . . . 10.0 112.036 -179.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.49 -49.21 69.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.844 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -72.68 -24.34 61.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.527 -0.306 . . . . 10.0 111.266 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -63.9 -38.79 92.37 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.352 0.596 . . . . 10.0 110.368 178.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 42.5 tp -66.8 -42.63 85.62 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.921 -0.581 . . . . 10.0 109.689 179.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -68.02 -33.18 74.12 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 115.572 -0.74 . . . . 10.0 109.842 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 9.3 ttt180 -63.04 -40.03 96.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.504 -0.771 . . . . 10.0 110.097 179.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 18.3 m -73.75 -38.77 64.61 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.914 -0.585 . . . . 10.0 111.078 179.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 5.3 m-30 -74.07 -31.18 62.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.174 -0.467 . . . . 10.0 111.839 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 85.97 30.7 22.49 Favored Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 111.13 -0.788 . . . . 10.0 111.13 -179.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 44.9 pt -120.62 163.23 30.28 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 115.461 -0.37 . . . . 10.0 110.367 -179.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -81.35 153.23 18.29 Favored 'Trans proline' 0 CA--C 1.534 0.508 0 C-N-CA 122.292 1.995 . . . . 10.0 112.914 179.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -130.19 130.7 45.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.009 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 8.3 mt -130.57 131.95 64.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.548 -0.296 . . . . 10.0 110.839 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -96.25 117.44 30.8 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.475 -0.935 . . . . 10.0 108.475 177.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 81.1 p -125.69 -172.79 2.68 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.885 0.698 . . . . 10.0 112.885 -177.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 3.5 t -161.64 122.41 2.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.874 -1.057 . . . . 10.0 108.336 179.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -73.09 -33.99 65.92 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.29 -0.414 . . . . 10.0 110.766 -178.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -63.94 -43.92 94.42 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.42 -0.355 . . . . 10.0 111.432 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 18.8 p -87.98 -8.29 55.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.015 0.436 . . . . 10.0 110.308 179.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 6.4 ttt-85 64.09 20.49 12.21 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.298 -0.865 . . . . 10.0 111.379 -179.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -82.0 125.0 30.28 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.548 -0.751 . . . . 10.0 111.353 -179.189 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 77.52 0.17 71.98 Favored Glycine 0 CA--C 1.52 0.391 0 N-CA-C 114.773 0.669 . . . . 10.0 114.773 178.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 79.0 t -57.0 -45.16 83.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.157 0.503 . . . . 10.0 111.431 -179.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.33 -46.51 69.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.607 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -57.48 -37.79 73.49 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.452 -0.34 . . . . 10.0 111.8 -179.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -57.37 -40.66 78.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.426 . . . . 10.0 111.599 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -87.57 -40.84 13.9 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 111.923 0.342 . . . . 10.0 111.923 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -59.93 -51.31 70.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.495 . . . . 10.0 111.65 -179.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 24.3 m -68.95 -27.65 65.94 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 112.161 0.43 . . . . 10.0 112.161 -178.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 56.1 tp -64.29 -38.47 91.14 Favored 'General case' 0 C--N 1.333 -0.114 0 N-CA-C 109.262 -0.644 . . . . 10.0 109.262 178.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 48.8 t -67.85 -35.71 73.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.226 -0.897 . . . . 10.0 109.574 178.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.06 -35.92 82.32 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.745 -0.662 . . . . 10.0 111.286 179.709 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -63.76 -36.15 82.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.651 0.262 . . . . 10.0 110.659 179.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 54.4 mt -65.42 -43.02 94.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.339 -0.391 . . . . 10.0 110.004 179.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 5.5 mtt85 -67.49 -42.48 82.82 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.04 0.448 . . . . 10.0 109.843 178.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 27.1 ttmt -61.6 -36.68 81.39 Favored 'General case' 0 C--O 1.222 -0.343 0 CA-C-N 115.816 -0.629 . . . . 10.0 109.584 179.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 14.8 t-80 -59.81 -45.81 91.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 10.0 109.957 179.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 90.6 mttt . . . . . 0 C--N 1.327 -0.402 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.275 179.668 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 14.9 tttm . . . . . 0 C--O 1.233 0.216 0 CA-C-O 120.749 0.309 . . . . 10.0 111.414 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 91.1 mt -64.88 -33.86 77.02 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.93 0.395 . . . . 10.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 79.4 mt -74.76 -37.46 62.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.978 -0.555 . . . . 10.0 110.623 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -64.92 -49.89 68.63 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.696 -0.684 . . . . 10.0 110.542 179.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -68.79 -21.94 64.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.933 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 70.7 t90 -71.4 -29.74 65.29 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.146 179.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -63.41 -37.03 85.72 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.467 -0.568 . . . . 10.0 109.467 179.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.11 -36.86 75.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.662 -0.699 . . . . 10.0 110.032 179.308 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 50.2 t -66.49 -42.73 90.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 108.988 -0.745 . . . . 10.0 108.988 178.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 38.2 m -59.99 -46.86 88.07 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.182 -0.917 . . . . 10.0 111.271 179.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.58 -35.69 81.81 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.093 0.473 . . . . 10.0 110.05 179.464 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 61.3 m -62.71 -47.42 83.68 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 109.29 -0.633 . . . . 10.0 109.29 178.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -65.4 -35.9 82.35 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.997 -0.547 . . . . 10.0 111.016 179.147 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 49.0 m -59.57 -53.58 56.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.558 179.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 216' ' ' LYS . . . . . 0.432 ' HZ2' ' CD ' ' D' ' 560' ' ' GLU . 71.0 mttt -67.93 -28.63 67.65 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.684 0.278 . . . . 10.0 111.002 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 16.9 mt -64.94 -42.8 94.32 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.748 -0.834 . . . . 10.0 108.748 177.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 48.3 mtt180 -68.93 -30.8 69.33 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.628 -0.715 . . . . 10.0 110.02 178.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -65.92 -48.02 72.79 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.741 -0.837 . . . . 10.0 108.741 177.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -68.73 -28.76 67.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.274 -0.875 . . . . 10.0 110.917 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 13.3 mt -54.84 -33.62 61.91 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.315 -0.402 . . . . 10.0 111.141 179.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -56.75 -69.86 1.15 Allowed Glycine 0 CA--C 1.521 0.453 0 N-CA-C 111.567 -0.613 . . . . 10.0 111.567 178.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -53.61 -39.31 83.39 Favored 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 122.65 2.233 . . . . 10.0 111.585 178.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 49.5 t -59.39 -51.2 75.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.432 -0.349 . . . . 10.0 111.064 179.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 7.9 p -64.54 -38.31 90.56 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.85 -0.34 . . . . 10.0 110.4 179.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -61.47 -50.74 71.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.925 179.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 227' ' ' GLU . . . . . 0.495 ' CD ' ' HZ2' ' D' ' 550' ' ' LYS . 73.9 mt-10 -67.42 -44.14 79.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.511 -0.313 . . . . 10.0 111.229 179.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.31 -50.56 73.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.435 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -64.43 -37.82 88.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.385 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -61.09 -46.75 89.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.057 179.304 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -70.48 -37.13 74.19 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.009 -0.542 . . . . 10.0 110.247 179.196 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 51.5 mt -63.45 -35.43 80.42 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.253 -0.647 . . . . 10.0 109.253 178.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -65.68 -41.68 92.17 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 109.649 -0.5 . . . . 10.0 109.649 178.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 63.4 mttt -62.98 -39.98 96.35 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.136 -0.69 . . . . 10.0 109.136 178.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.64 -52.16 58.82 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.277 -0.874 . . . . 10.0 110.13 179.171 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 1.7 p -65.48 -30.58 71.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 10.0 112.009 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -67.79 -44.46 77.32 Favored 'General case' 0 CA--C 1.517 -0.305 0 N-CA-C 108.438 -0.949 . . . . 10.0 108.438 178.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -61.64 -42.78 99.81 Favored Glycine 0 N--CA 1.445 -0.751 0 N-CA-C 109.838 -1.305 . . . . 10.0 109.838 177.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 79.5 mt -63.59 -33.48 75.69 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.967 0.413 . . . . 10.0 110.387 178.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 15.7 mtt180 -72.2 -39.68 68.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.318 -0.401 . . . . 10.0 109.948 178.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -67.34 -38.67 85.21 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.292 -1.003 . . . . 10.0 108.292 177.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -65.3 -33.87 76.99 Favored 'General case' 0 C--O 1.218 -0.584 0 CA-C-N 114.916 -1.038 . . . . 10.0 110.142 178.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 54.7 ttm -57.29 -30.84 65.05 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.052 0.453 . . . . 10.0 110.485 179.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 9.2 m -76.78 8.16 3.97 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 115.392 -0.822 . . . . 10.0 111.063 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -137.65 -56.77 0.68 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.008 -0.542 . . . . 10.0 109.707 179.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 246' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -57.04 -56.85 16.39 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.59 -0.732 . . . . 10.0 110.902 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . 16.1 mt -78.38 -33.18 49.03 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.239 -0.437 . . . . 10.0 111.375 179.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -61.74 -49.49 76.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.984 0.421 . . . . 10.0 111.001 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -70.72 -27.84 64.28 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.227 -0.442 . . . . 10.0 112.116 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 250' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -78.06 -18.46 13.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.202 0.525 . . . . 10.0 110.289 179.058 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -97.0 -36.42 10.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.74 -0.664 . . . . 10.0 109.903 179.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -74.87 -41.19 60.27 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.317 -0.402 . . . . 10.0 110.647 179.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 45.3 mttt -82.69 -10.06 59.09 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.995 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 254' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -62.66 -29.67 47.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 C-N-CA 120.796 -0.362 . . . . 10.0 110.38 179.673 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -63.99 -63.97 3.33 Favored Pre-proline 0 N--CA 1.453 -0.309 0 CA-C-N 116.274 -0.421 . . . . 10.0 111.371 178.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_endo -62.1 -36.04 72.3 Favored 'Trans proline' 0 C--N 1.356 0.943 0 C-N-CA 121.874 1.716 . . . . 10.0 112.284 179.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 4.3 m-30 -64.61 -53.0 54.57 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.86 0.362 . . . . 10.0 110.495 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 14.3 mt -69.28 -32.78 72.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.444 -0.343 . . . . 10.0 110.609 179.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -60.64 -45.82 92.63 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.319 -0.623 . . . . 10.0 109.319 178.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 260' ' ' ASP . . . . . 0.456 ' CG ' ' HZ1' ' A' ' 264' ' ' LYS . 23.8 t70 -63.69 -48.93 75.15 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.564 -0.744 . . . . 10.0 110.643 179.45 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -60.99 -50.31 73.89 Favored 'General case' 0 N--CA 1.457 -0.092 0 CA-C-N 115.933 -0.576 . . . . 10.0 111.285 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -64.52 -38.73 92.05 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 116.635 -0.257 . . . . 10.0 111.096 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 31.9 ttmt -58.64 -54.4 47.49 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.797 -0.446 . . . . 10.0 109.797 179.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 264' ' ' LYS . . . . . 0.456 ' HZ1' ' CG ' ' A' ' 260' ' ' ASP . 73.7 mttt -64.1 -36.57 84.47 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.666 -0.697 . . . . 10.0 110.161 179.302 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -63.83 -38.77 92.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.326 -0.397 . . . . 10.0 110.299 178.675 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -61.79 -45.39 94.09 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.936 -0.764 . . . . 10.0 108.936 178.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -65.07 -43.85 90.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.162 -0.926 . . . . 10.0 109.507 178.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -60.17 -44.7 94.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.708 -0.678 . . . . 10.0 111.078 179.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 70.8 mmm -65.52 -41.75 92.78 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.336 179.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -61.43 -48.36 81.55 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 116.008 -0.542 . . . . 10.0 109.594 178.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 85.4 mt -59.64 -41.49 90.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.848 -0.615 . . . . 10.0 110.063 179.095 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 1.5 m-30 -60.93 -44.94 96.51 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.607 179.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 78.1 mtt180 -68.57 -42.95 77.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.979 0.419 . . . . 10.0 111.001 179.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -65.48 -16.82 64.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.818 -0.628 . . . . 10.0 111.769 -179.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 275' ' ' LYS . . . . . . . . . . . . . 8.3 mptt -104.25 -48.05 3.96 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.576 -0.284 . . . . 10.0 110.809 179.115 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 2.5 p -53.38 -31.42 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 112.851 0.685 . . . . 10.0 112.851 -178.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -69.57 -63.34 2.01 Favored Pre-proline 0 CA--C 1.536 0.432 0 N-CA-C 112.151 0.426 . . . . 10.0 112.151 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_endo -60.21 -35.82 90.56 Favored 'Trans proline' 0 C--N 1.356 0.94 0 C-N-CA 121.476 1.45 . . . . 10.0 111.339 178.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 34.1 mt -67.0 -37.89 85.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.463 -0.335 . . . . 10.0 110.269 179.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 11.3 ttt180 -66.4 -34.37 77.81 Favored 'General case' 0 C--O 1.223 -0.31 0 N-CA-C 109.426 -0.583 . . . . 10.0 109.426 179.002 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -63.81 -43.18 97.03 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 109.167 -0.679 . . . . 10.0 109.167 178.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -65.09 -49.3 70.55 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.93 -0.577 . . . . 10.0 109.545 178.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 85.3 mt -61.35 -33.3 73.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.597 -0.729 . . . . 10.0 111.018 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -70.59 -45.21 65.78 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.408 -0.59 . . . . 10.0 109.408 178.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -62.74 -45.14 94.12 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.153 -0.684 . . . . 10.0 109.153 178.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -61.08 -45.49 96.48 Favored Glycine 0 N--CA 1.442 -0.927 0 N-CA-C 110.521 -1.032 . . . . 10.0 110.521 178.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -58.14 -44.8 88.04 Favored 'General case' 0 C--O 1.221 -0.429 0 N-CA-C 110.219 -0.289 . . . . 10.0 110.219 178.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 60.3 mtt180 -60.76 -49.6 76.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.853 0.358 . . . . 10.0 110.368 178.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -60.43 -41.53 94.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.898 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 69.6 mttt -71.41 -39.98 70.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.721 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 28.7 mt -64.11 -42.33 96.92 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.285 179.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -61.03 -40.41 93.49 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 109.79 -0.448 . . . . 10.0 109.79 178.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -62.04 -41.99 98.7 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.199 -0.667 . . . . 10.0 109.199 178.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 95.7 mt -67.37 -39.88 85.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.47 -0.786 . . . . 10.0 110.651 179.291 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -62.45 -40.38 96.43 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.142 0.496 . . . . 10.0 109.952 179.147 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -60.3 -28.51 68.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.676 -0.693 . . . . 10.0 110.386 179.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 15.2 mmtp -104.88 13.98 30.27 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.182 -0.463 . . . . 10.0 111.161 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 15.6 mt -110.97 -39.92 4.66 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-N 116.154 -0.476 . . . . 10.0 111.034 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 299' ' ' SER . . . . . . . . . . . . . 2.5 m -72.31 -68.11 0.45 Allowed Pre-proline 0 CA--C 1.544 0.725 0 N-CA-C 112.77 0.656 . . . . 10.0 112.77 -179.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 300' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -63.31 -48.24 6.45 Favored 'Trans proline' 0 C--N 1.354 0.827 0 C-N-CA 121.866 1.71 . . . . 10.0 112.135 -179.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 31.4 mt -65.66 -32.6 74.26 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 116.193 -0.458 . . . . 10.0 110.753 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -67.58 -48.02 58.99 Favored Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 110.564 -1.014 . . . . 10.0 110.564 178.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -62.47 -38.41 89.71 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.322 -0.621 . . . . 10.0 109.322 178.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -65.74 -36.67 84.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.78 -0.645 . . . . 10.0 109.849 178.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 5.9 tpt -68.05 -40.32 82.85 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 116.018 -0.537 . . . . 10.0 109.794 179.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 81.0 mtt180 -70.6 -39.7 73.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.914 -0.585 . . . . 10.0 110.562 178.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -64.36 -42.11 96.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.177 0.513 . . . . 10.0 109.805 178.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 11.7 mmt180 -69.8 -29.14 66.37 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.968 -0.56 . . . . 10.0 109.551 178.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -67.21 -37.58 83.87 Favored 'General case' 0 CA--C 1.52 -0.204 0 N-CA-C 108.333 -0.988 . . . . 10.0 108.333 177.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 310' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 -59.88 -45.34 92.8 Favored 'General case' 0 C--O 1.22 -0.47 0 N-CA-C 108.707 -0.849 . . . . 10.0 108.707 177.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -66.37 -43.68 85.29 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.802 -0.635 . . . . 10.0 109.897 178.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -55.48 -50.88 68.72 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.137 179.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 85.5 t -72.99 -35.45 48.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.156 -0.929 . . . . 10.0 111.457 -179.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -62.06 -49.34 76.36 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 109.977 -0.379 . . . . 10.0 109.977 179.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -61.84 -33.66 74.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.912 -0.585 . . . . 10.0 109.432 179.088 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 9.5 mt -68.66 -45.12 72.6 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.615 -0.72 . . . . 10.0 109.357 178.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 14.4 mtm105 -61.44 -46.19 91.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.424 . . . . 10.0 110.941 179.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 5.3 m -63.39 -22.43 66.87 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.623 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 14.0 m80 -93.47 -41.08 9.99 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.861 0.362 . . . . 10.0 110.392 178.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 61.5 mt -68.78 -28.27 66.63 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.101 -0.5 . . . . 10.0 112.234 -179.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -57.24 -60.01 10.99 Favored Pre-proline 0 CA--C 1.539 0.535 0 N-CA-C 111.383 0.142 . . . . 10.0 111.383 179.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -68.3 -29.69 31.67 Favored 'Trans proline' 0 C--N 1.357 0.998 0 C-N-CA 121.6 1.533 . . . . 10.0 110.552 178.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 6.3 m-30 -61.89 -51.48 68.02 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.592 179.002 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 5.1 p -62.17 -34.45 76.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.729 0.3 . . . . 10.0 110.477 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -61.84 -49.94 74.25 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.829 -0.623 . . . . 10.0 109.412 178.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -65.11 -39.52 93.25 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 115.614 -0.721 . . . . 10.0 109.501 178.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 75.6 mt -58.54 -37.91 76.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.454 179.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 66.5 mtt85 -62.98 -42.31 99.8 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.531 -0.544 . . . . 10.0 109.531 178.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -68.25 -41.83 80.57 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.486 -0.561 . . . . 10.0 109.486 178.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 3.8 mtt-85 -61.33 -51.0 70.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.458 -0.792 . . . . 10.0 110.128 179.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 91.0 mt -58.2 -46.2 86.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.058 179.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -58.59 -48.5 80.74 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-N 115.956 -0.565 . . . . 10.0 109.817 178.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -59.53 -46.64 88.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.394 -0.366 . . . . 10.0 111.259 179.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 8.4 mmt180 -62.28 -47.07 85.95 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.272 -0.422 . . . . 10.0 109.934 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 77.3 mt -64.46 -44.57 90.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.901 -0.59 . . . . 10.0 111.985 -179.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -64.3 -39.97 94.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.915 0.388 . . . . 10.0 110.803 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -64.39 -44.42 91.36 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.157 -0.683 . . . . 10.0 109.157 178.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 68.1 mt -71.7 -15.88 62.22 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 115.826 -0.625 . . . . 10.0 111.045 179.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 71.2 tttt -74.85 -44.67 47.83 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.702 -0.851 . . . . 10.0 108.702 178.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -73.99 -48.11 32.56 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.956 -0.757 . . . . 10.0 108.956 178.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -60.88 -49.8 76.01 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.501 -0.772 . . . . 10.0 110.387 179.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -62.68 -35.76 92.34 Favored Glycine 0 N--CA 1.444 -0.781 0 CA-C-N 115.732 -0.667 . . . . 10.0 111.512 179.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -64.43 -43.71 96.33 Favored Glycine 0 N--CA 1.45 -0.37 0 N-CA-C 110.891 -0.883 . . . . 10.0 110.891 178.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -64.07 -41.86 97.19 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 109.508 -0.553 . . . . 10.0 109.508 178.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 32.3 mtm180 -63.09 -40.07 96.57 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 115.801 -0.636 . . . . 10.0 110.274 178.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 62.4 mt -66.59 -48.01 70.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.317 179.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.13 -38.87 80.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.044 0.45 . . . . 10.0 110.017 179.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -70.63 -47.41 60.23 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.385 -0.825 . . . . 10.0 110.16 178.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -58.56 -36.92 74.68 Favored 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 116.229 -0.441 . . . . 10.0 111.553 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -62.3 -38.5 89.64 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.085 -0.709 . . . . 10.0 109.085 178.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -71.71 -41.5 68.49 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.049 -0.523 . . . . 10.0 109.658 178.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 42.8 mttm -60.97 -44.43 97.34 Favored 'General case' 0 C--N 1.338 0.102 0 CA-C-N 116.198 -0.455 . . . . 10.0 110.158 178.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -63.42 -41.52 98.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.628 -0.714 . . . . 10.0 110.293 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 27.6 m -64.82 -47.03 79.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.39 -0.368 . . . . 10.0 110.247 179.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -60.9 -41.64 96.46 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 109.318 -0.623 . . . . 10.0 109.318 178.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -63.25 -35.73 81.33 Favored 'General case' 0 C--O 1.226 -0.173 0 CA-C-N 115.788 -0.642 . . . . 10.0 109.855 178.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 46.2 mt -66.24 -38.79 88.73 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.402 -0.363 . . . . 10.0 110.593 179.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 3.9 m -61.26 -42.66 99.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.09 0.472 . . . . 10.0 110.282 179.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.9 -32.24 57.28 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.33 179.245 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 25.9 tp -66.81 -32.66 74.08 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.374 -0.602 . . . . 10.0 109.374 178.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 51.3 m -64.71 -26.13 68.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.727 -0.67 . . . . 10.0 110.161 178.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -71.54 -17.43 62.32 Favored 'General case' 0 C--O 1.231 0.118 0 N-CA-C 109.192 -0.67 . . . . 10.0 109.192 178.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 363' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -98.34 -26.1 14.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.588 -0.733 . . . . 10.0 109.399 178.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -78.58 -33.59 47.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.542 -0.754 . . . . 10.0 111.785 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -107.69 -72.0 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.449 0 N-CA-C 112.481 0.549 . . . . 10.0 112.481 179.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -55.9 -60.92 0.41 Allowed 'Trans proline' 0 C--N 1.357 0.985 0 C-N-CA 122.457 2.104 . . . . 10.0 112.899 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 367' ' ' ALA . . . . . . . . . . . . . . . -59.46 -42.79 92.82 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.446 0.536 . . . . 10.0 112.446 -179.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 5.2 mt -66.11 -42.47 89.19 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 120.809 -0.357 . . . . 10.0 111.108 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -63.68 -44.91 92.33 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.848 -0.797 . . . . 10.0 108.848 178.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -59.74 -40.96 89.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.374 -0.83 . . . . 10.0 109.838 179.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 12.4 mt -63.75 -45.81 88.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.656 -0.702 . . . . 10.0 109.922 178.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 84.8 mtt180 -63.21 -42.32 99.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.945 179.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -62.16 -31.21 71.68 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.486 -0.325 . . . . 10.0 110.916 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -86.02 -38.92 8.26 Favored Glycine 0 N--CA 1.442 -0.909 0 C-N-CA 120.465 -0.874 . . . . 10.0 111.367 179.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 39.1 mt -66.45 -36.34 82.54 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 111.957 0.355 . . . . 10.0 111.957 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 37.9 mt -50.1 -65.54 0.84 Allowed Pre-proline 0 CA--C 1.538 0.511 0 N-CA-C 112.607 0.595 . . . . 10.0 112.607 -179.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -64.98 -26.94 58.29 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 121.698 1.599 . . . . 10.0 111.448 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 2.9 t -65.94 -43.3 92.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 121.039 0.447 . . . . 10.0 109.892 179.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 97.2 mt -67.68 -35.55 79.05 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.377 -0.601 . . . . 10.0 109.377 178.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -66.76 -45.73 77.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.897 -0.592 . . . . 10.0 110.643 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 1.5 p -65.9 -32.19 73.56 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 109.228 -0.656 . . . . 10.0 109.228 178.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 1.4 m-30 -65.52 -43.45 90.01 Favored 'General case' 0 CA--C 1.517 -0.318 0 N-CA-C 108.952 -0.758 . . . . 10.0 108.952 177.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -55.19 -47.75 74.8 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.247 178.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 48.9 t -59.05 -40.58 81.09 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-N 115.888 -0.597 . . . . 10.0 110.138 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 11.5 m -69.13 -42.25 76.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.555 -0.748 . . . . 10.0 110.436 179.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -66.78 -43.36 84.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.521 -0.308 . . . . 10.0 111.117 179.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 61.8 mt -57.28 -53.65 55.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.436 . . . . 10.0 111.281 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 3.8 p -63.03 -38.88 92.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.11 -0.495 . . . . 10.0 111.156 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -62.42 -41.15 98.49 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.736 0.303 . . . . 10.0 110.98 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 77.1 mt -65.15 -39.84 93.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 10.0 109.871 179.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -66.08 -36.85 84.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.036 179.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -59.76 -42.0 92.29 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.42 179.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -62.2 -47.66 83.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.838 -0.619 . . . . 10.0 110.675 179.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 3.5 m -62.36 -39.64 93.8 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.253 -0.43 . . . . 10.0 111.747 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -72.03 -26.98 62.42 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 113.525 0.935 . . . . 10.0 113.525 -178.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -102.61 -41.9 6.1 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 113.763 1.023 . . . . 10.0 113.763 -178.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 87.0 mt -77.52 -36.85 52.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.816 0.341 . . . . 10.0 110.901 -179.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 47.8 t30 . . . . . 0 C--N 1.323 -0.557 0 CA-C-N 116.176 -0.466 . . . . 10.0 110.93 -179.833 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 2.9 mm? . . . . . 0 N--CA 1.463 0.184 0 CA-C-O 121.156 0.503 . . . . 10.0 110.733 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -92.85 17.72 10.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.095 -0.502 . . . . 10.0 111.354 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 77.0 mt -69.97 -35.51 74.51 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.036 0.446 . . . . 10.0 110.032 179.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 67.2 mt -67.36 -35.75 79.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.724 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.57 -45.51 86.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.878 -0.601 . . . . 10.0 109.973 179.555 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -68.87 -40.91 79.02 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.958 -0.565 . . . . 10.0 110.087 178.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 6.7 m95 -58.86 -36.5 74.7 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.857 -0.61 . . . . 10.0 110.57 179.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -58.76 -52.23 66.61 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.436 -0.579 . . . . 10.0 109.436 178.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.85 -36.5 76.99 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.542 -0.754 . . . . 10.0 110.62 178.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 79.6 t -67.55 -37.16 78.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.222 0.535 . . . . 10.0 109.846 178.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 15.8 m -67.8 -41.31 83.34 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.178 -0.675 . . . . 10.0 109.178 178.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 10.5 m -63.9 -44.78 91.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.596 179.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 1.1 p -64.02 -32.77 74.44 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.214 0.53 . . . . 10.0 110.344 179.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -69.61 -39.34 77.29 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.312 -0.625 . . . . 10.0 109.312 177.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 27.3 m -68.29 -30.93 70.05 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.621 -0.718 . . . . 10.0 109.324 178.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 43.0 mmtt -67.09 -34.91 78.66 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.319 -0.623 . . . . 10.0 109.319 178.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 87.5 mt -64.21 -39.4 93.9 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.032 -0.729 . . . . 10.0 109.032 178.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 78.1 mtt180 -67.0 -35.34 79.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.632 -0.713 . . . . 10.0 110.665 179.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -64.39 -29.54 70.6 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-O 121.303 0.573 . . . . 10.0 109.584 178.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -84.16 -46.48 11.86 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.532 -0.758 . . . . 10.0 109.608 179.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 59.3 mt -47.8 -42.34 25.73 Favored 'General case' 0 C--O 1.226 -0.16 0 CA-C-N 115.395 -0.821 . . . . 10.0 112.374 -179.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -53.4 -76.0 0.2 Allowed Glycine 0 CA--C 1.523 0.548 0 C-N-CA 120.903 -0.665 . . . . 10.0 112.629 179.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -57.63 -39.37 88.62 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 122.575 2.183 . . . . 10.0 112.152 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 19.5 t -58.54 -48.02 86.71 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.114 0 N-CA-C 112.307 0.484 . . . . 10.0 112.307 -179.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 34.2 p -68.61 -37.39 79.74 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.952 -0.299 . . . . 10.0 110.493 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -57.91 -53.3 59.76 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.07 179.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -71.3 -27.27 63.29 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.165 -0.471 . . . . 10.0 110.777 179.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -65.17 -46.53 80.47 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.025 -0.732 . . . . 10.0 109.025 178.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 12.2 m95 -65.33 -36.97 85.64 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.987 -0.551 . . . . 10.0 109.866 178.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -66.79 -37.63 84.93 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.123 -0.695 . . . . 10.0 109.123 178.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -67.98 -44.04 77.58 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.357 -0.838 . . . . 10.0 108.765 177.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 68.4 mt -57.81 -36.53 72.34 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 115.583 -0.735 . . . . 10.0 109.843 178.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -65.02 -44.81 87.94 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.041 178.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 39.7 mttp -62.83 -44.0 97.31 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.125 -0.694 . . . . 10.0 109.125 178.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -63.02 -55.24 27.34 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.329 -0.85 . . . . 10.0 111.016 179.31 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 13.6 p -56.8 -51.74 67.79 Favored 'General case' 0 C--O 1.224 -0.28 0 N-CA-C 111.384 0.142 . . . . 10.0 111.384 -179.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -59.2 -45.69 90.41 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 121.08 -0.248 . . . . 10.0 111.333 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -63.51 -46.23 92.92 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.873 -0.68 . . . . 10.0 111.633 179.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 96.6 mt -65.55 -33.55 76.18 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.738 0.304 . . . . 10.0 110.261 179.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 56.1 mtt180 -65.94 -34.04 77.21 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.272 -0.422 . . . . 10.0 110.135 179.201 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -65.65 -40.95 93.01 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 108.46 -0.941 . . . . 10.0 108.46 178.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -69.12 -43.97 73.36 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.17 -0.923 . . . . 10.0 108.865 178.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 67.0 mmm -57.4 -48.49 78.94 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.192 -0.913 . . . . 10.0 111.954 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 3.3 p -62.44 -49.42 75.52 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.629 0.252 . . . . 10.0 110.844 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -61.38 -36.39 80.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.008 -0.542 . . . . 10.0 111.013 179.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -73.34 -54.23 8.86 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.088 -0.506 . . . . 10.0 110.236 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 79.5 mt -56.07 -46.8 78.86 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.163 0.431 . . . . 10.0 112.163 -179.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -61.76 -35.95 79.61 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.859 0.362 . . . . 10.0 110.647 -179.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 447' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -74.88 -35.02 62.29 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.0 -0.546 . . . . 10.0 109.781 178.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 26.6 t -61.31 -42.28 92.97 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.299 0 CA-C-N 116.145 -0.479 . . . . 10.0 110.026 179.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -59.51 -43.94 93.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.137 0.494 . . . . 10.0 110.694 179.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -84.26 -1.88 56.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.965 -0.561 . . . . 10.0 111.851 -179.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 2.2 ttmm -104.7 -43.07 5.22 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.451 -0.341 . . . . 10.0 110.757 179.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 42.1 t -60.31 -39.18 80.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.21 -0.45 . . . . 10.0 111.27 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -57.14 -61.4 7.17 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-O 119.347 -0.358 . . . . 10.0 111.783 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -67.77 -29.69 35.16 Favored 'Trans proline' 0 C--N 1.355 0.908 0 C-N-CA 121.881 1.72 . . . . 10.0 112.011 179.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -66.51 -47.6 72.46 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.767 -0.457 . . . . 10.0 109.767 179.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 19.8 mt -68.65 -32.82 72.95 Favored 'General case' 0 CA--C 1.517 -0.301 0 N-CA-C 109.299 -0.63 . . . . 10.0 109.299 178.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -63.99 -52.66 58.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.818 -0.628 . . . . 10.0 109.963 178.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -62.33 -41.43 98.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.631 -0.713 . . . . 10.0 110.739 179.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -67.54 -44.93 77.14 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.099 -0.5 . . . . 10.0 111.061 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -64.5 -35.76 82.01 Favored 'General case' 0 C--O 1.222 -0.351 0 C-N-CA 120.993 -0.283 . . . . 10.0 110.239 179.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 62.5 mttt -65.51 -39.86 92.33 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 109.11 -0.7 . . . . 10.0 109.11 178.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 1.9 ttmm -66.5 -40.99 89.54 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.203 -0.908 . . . . 10.0 109.44 178.241 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 50.3 m0 -65.77 -39.84 91.41 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.187 -0.672 . . . . 10.0 109.187 178.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -61.56 -43.55 98.65 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.085 178.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 465' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -61.44 -46.54 89.67 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.317 -0.623 . . . . 10.0 109.317 178.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.83 -44.71 92.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.912 -0.586 . . . . 10.0 110.294 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 61.2 mtm -63.53 -37.51 87.58 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.83 0.348 . . . . 10.0 110.09 178.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -63.67 -46.83 83.82 Favored 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 108.755 -0.831 . . . . 10.0 108.755 178.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 469' ' ' LEU . . . . . . . . . . . . . 95.6 mt -60.37 -35.01 74.69 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.62 -0.718 . . . . 10.0 110.296 179.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 12.9 m-30 -63.73 -35.51 80.82 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.712 -0.477 . . . . 10.0 109.712 178.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 62.2 mtt180 -74.89 -21.22 59.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.916 -0.584 . . . . 10.0 111.346 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -109.43 3.76 21.74 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.156 0.428 . . . . 10.0 112.156 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 473' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -134.35 -61.41 0.78 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.545 0.202 . . . . 10.0 111.545 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 85.5 t -63.45 -38.0 81.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.703 0.287 . . . . 10.0 110.676 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -59.06 -60.88 9.09 Favored Pre-proline 0 CA--C 1.537 0.457 0 CA-C-N 116.019 -0.537 . . . . 10.0 111.683 178.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -60.74 -37.55 77.83 Favored 'Trans proline' 0 C--N 1.354 0.851 0 C-N-CA 122.0 1.8 . . . . 10.0 110.956 178.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 17.0 mt -62.57 -36.8 83.82 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.35 -0.386 . . . . 10.0 110.071 179.172 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 19.4 mtt180 -59.96 -33.51 72.03 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.937 -0.394 . . . . 10.0 109.937 178.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -80.6 -46.56 15.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.716 -0.675 . . . . 10.0 110.569 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -63.07 -42.12 99.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.023 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 56.5 mt -73.47 -23.49 60.08 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 110.006 -0.368 . . . . 10.0 110.006 178.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -69.67 -49.56 52.41 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 108.245 -1.02 . . . . 10.0 108.245 178.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.13 -38.79 92.34 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.515 -0.766 . . . . 10.0 109.099 178.604 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -64.44 -42.41 97.61 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 110.95 -0.86 . . . . 10.0 110.95 178.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -67.3 -36.22 81.06 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 109.419 -0.586 . . . . 10.0 109.419 178.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 89.7 mtt180 -63.96 -41.12 97.66 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 109.219 -0.66 . . . . 10.0 109.219 178.087 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -64.71 -43.37 93.68 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 108.822 -0.807 . . . . 10.0 108.822 178.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -62.11 -44.8 95.85 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.986 -0.552 . . . . 10.0 109.927 179.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 47.6 mt -63.06 -38.36 90.88 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.556 -0.535 . . . . 10.0 109.556 178.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -62.41 -46.56 88.04 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.71 -0.848 . . . . 10.0 108.71 178.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -59.25 -48.18 82.58 Favored 'General case' 0 C--O 1.232 0.146 0 N-CA-C 108.669 -0.863 . . . . 10.0 108.669 178.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 94.3 mt -59.2 -54.59 45.2 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 115.271 -0.877 . . . . 10.0 111.625 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -59.33 -38.58 80.68 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.086 0.402 . . . . 10.0 112.086 -179.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -70.14 -4.83 23.24 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 121.193 0.52 . . . . 10.0 111.375 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 495' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -114.26 -34.92 5.16 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.829 -0.623 . . . . 10.0 109.713 178.07 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 76.3 mt -62.18 -28.57 69.76 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 115.839 -0.619 . . . . 10.0 110.979 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 497' ' ' SER . . . . . . . . . . . . . 1.6 m -75.92 -63.1 0.66 Allowed Pre-proline 0 C--N 1.321 -0.64 0 C-N-CA 120.929 -0.308 . . . . 10.0 111.447 179.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 498' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -62.26 -49.13 6.62 Favored 'Trans proline' 0 C--N 1.356 0.971 0 C-N-CA 121.756 1.637 . . . . 10.0 112.288 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 499' ' ' LEU . . . . . . . . . . . . . 90.8 mt -69.31 -32.06 70.95 Favored 'General case' 0 CA--C 1.519 -0.217 0 N-CA-C 110.407 -0.22 . . . . 10.0 110.407 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -66.62 -50.28 49.9 Favored Glycine 0 N--CA 1.449 -0.495 0 N-CA-C 110.823 -0.911 . . . . 10.0 110.823 179.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -63.6 -34.92 78.89 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 109.555 -0.535 . . . . 10.0 109.555 178.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 502' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -67.17 -41.8 85.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.792 -0.64 . . . . 10.0 109.553 178.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 64.9 mmm -64.34 -37.93 89.25 Favored 'General case' 0 CA--C 1.521 -0.151 0 N-CA-C 109.577 -0.527 . . . . 10.0 109.577 178.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 75.0 mtt180 -68.08 -34.39 76.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.729 -0.669 . . . . 10.0 109.374 178.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -70.41 -40.21 73.99 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 109.316 -0.624 . . . . 10.0 109.316 178.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 506' ' ' ARG . . . . . . . . . . . . . 46.9 mtt180 -60.7 -44.13 96.93 Favored 'General case' 0 CA--C 1.518 -0.26 0 N-CA-C 107.943 -1.132 . . . . 10.0 107.943 177.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -58.79 -40.64 84.61 Favored 'General case' 0 C--O 1.225 -0.23 0 CA-C-N 115.249 -0.887 . . . . 10.0 109.958 178.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 508' ' ' ARG . . . . . . . . . . . . . 57.7 mtt85 -62.73 -48.07 80.82 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.433 -0.58 . . . . 10.0 109.433 178.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -59.68 -41.12 89.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.853 -0.612 . . . . 10.0 111.132 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 21.9 m-70 -71.89 -47.53 52.08 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.875 179.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 31.2 t -63.58 -43.25 98.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.714 0.292 . . . . 10.0 111.022 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -65.64 -31.09 71.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.129 0.49 . . . . 10.0 110.062 179.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -69.09 -44.7 71.97 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 108.122 -1.066 . . . . 10.0 108.122 177.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 514' ' ' LEU . . . . . . . . . . . . . 90.6 mt -59.8 -26.61 65.89 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.469 -0.787 . . . . 10.0 110.657 179.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 515' ' ' ARG . . . . . . . . . . . . . 76.3 mtt180 -63.91 -31.9 73.25 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.764 -0.458 . . . . 10.0 109.764 178.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.47 10.18 23.24 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.439 0.638 . . . . 10.0 110.215 179.507 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 26.1 m170 -115.61 -59.98 1.93 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.89 -0.595 . . . . 10.0 110.556 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 69.6 mt -80.58 -55.42 4.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.973 -0.558 . . . . 10.0 111.622 -179.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 519' ' ' ALA . . . . . . . . . . . . . . . -47.93 -56.17 14.7 Favored Pre-proline 0 N--CA 1.467 0.418 0 N-CA-C 113.585 0.957 . . . . 10.0 113.585 -178.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 520' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -63.02 -35.6 64.62 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 121.832 1.688 . . . . 10.0 110.914 179.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -67.03 -36.29 81.77 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.078 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 5.2 m -60.26 -39.93 88.54 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 108.437 -0.949 . . . . 10.0 108.437 178.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -69.79 -42.85 73.21 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.206 -0.906 . . . . 10.0 110.243 179.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -64.82 -33.76 76.75 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.231 0.539 . . . . 10.0 109.704 178.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 15.0 mt -68.58 -33.24 73.73 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-N 115.5 -0.773 . . . . 10.0 109.946 178.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 526' ' ' ARG . . . . . . . . . . . . . 69.7 mtt180 -58.82 -39.41 81.11 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.379 179.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -63.53 -43.34 97.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.841 -0.618 . . . . 10.0 109.889 179.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 528' ' ' ARG . . . . . . . . . . . . . 77.4 mtt180 -69.59 -49.15 56.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.421 -0.809 . . . . 10.0 110.433 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 92.6 mt -59.51 -35.72 74.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.931 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -66.26 -36.21 82.41 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.902 -0.407 . . . . 10.0 109.902 179.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -73.57 -42.68 61.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.696 -0.684 . . . . 10.0 109.178 179.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 18.7 ttm180 -61.73 -45.98 91.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.585 -0.734 . . . . 10.0 109.357 178.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 48.8 mt -66.59 -32.32 73.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.773 -0.649 . . . . 10.0 110.004 178.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -66.63 -44.98 80.57 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 108.993 -0.743 . . . . 10.0 108.993 178.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -62.57 -41.72 99.1 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 108.871 -0.789 . . . . 10.0 108.871 177.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 94.5 mt -66.39 -28.43 68.63 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.581 -0.736 . . . . 10.0 110.472 178.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 41.8 mtmt -77.5 -43.5 31.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.356 -0.384 . . . . 10.0 110.121 178.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -65.79 -48.53 71.48 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 109.761 -0.459 . . . . 10.0 109.761 179.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -66.75 -36.31 82.15 Favored 'General case' 0 CA--C 1.512 -0.483 0 N-CA-C 108.629 -0.878 . . . . 10.0 108.629 178.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -62.05 -46.45 94.0 Favored Glycine 0 N--CA 1.443 -0.836 0 N-CA-C 111.292 -0.723 . . . . 10.0 111.292 179.172 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -60.21 -43.85 98.03 Favored Glycine 0 N--CA 1.449 -0.438 0 N-CA-C 111.057 -0.817 . . . . 10.0 111.057 178.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -64.76 -49.3 71.32 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.942 -0.392 . . . . 10.0 109.942 178.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 59.2 mtt85 -61.27 -34.51 75.3 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.997 179.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 42.0 mt -64.92 -41.68 95.34 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.282 -0.636 . . . . 10.0 109.282 178.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -65.69 -43.87 87.92 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.116 -0.698 . . . . 10.0 109.116 178.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -62.93 -43.04 99.88 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 115.892 -0.594 . . . . 10.0 110.009 178.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -60.52 -47.92 84.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.684 -0.689 . . . . 10.0 110.261 179.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 32.1 m-70 -65.35 -39.95 93.01 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.482 -0.326 . . . . 10.0 110.885 179.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -65.46 -47.94 74.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.4 179.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 550' ' ' LYS . . . . . 0.495 ' HZ2' ' CD ' ' A' ' 227' ' ' GLU . 10.9 mptt -66.94 -29.68 69.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.498 . . . . 10.0 110.295 179.221 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -64.62 -42.75 95.29 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.566 -0.531 . . . . 10.0 109.566 178.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -69.2 -42.75 75.36 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.393 -0.367 . . . . 10.0 110.172 178.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -60.93 -45.24 95.47 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.417 -0.586 . . . . 10.0 109.417 178.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -64.94 -38.47 91.06 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.475 -0.784 . . . . 10.0 109.547 179.029 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 29.2 tp -62.09 -44.89 95.68 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.067 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 24.2 m -63.53 -42.84 98.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.044 -0.526 . . . . 10.0 109.761 178.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 9.8 m -66.83 -37.27 84.17 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.89 -0.595 . . . . 10.0 110.117 179.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 27.3 mt -62.17 -51.37 68.11 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.545 178.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 2.2 p -65.9 -36.72 84.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.604 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 560' ' ' GLU . . . . . 0.432 ' CD ' ' HZ2' ' A' ' 216' ' ' LYS . 24.7 tt0 -61.23 -31.12 70.9 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 115.878 -0.601 . . . . 10.0 111.03 179.467 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.47 -40.68 8.96 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 121.101 -0.24 . . . . 10.0 111.395 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -57.64 -43.86 85.2 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.491 0.552 . . . . 10.0 112.491 -179.003 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -56.42 -60.59 8.68 Favored Pre-proline 0 CA--C 1.536 0.408 0 N-CA-C 112.553 0.575 . . . . 10.0 112.553 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -63.49 -41.37 26.2 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 122.155 1.903 . . . . 10.0 111.734 179.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -60.35 -53.57 56.0 Favored 'General case' 0 C--N 1.331 -0.201 0 O-C-N 123.284 0.365 . . . . 10.0 110.919 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 45.4 mt -60.73 -40.47 92.5 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.625 -0.262 . . . . 10.0 110.913 179.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -62.84 -47.28 84.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.878 0.37 . . . . 10.0 110.49 179.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -64.21 -38.85 92.51 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.118 179.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 69.6 mt -65.92 -42.03 90.62 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.241 178.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 83.7 mtt180 -66.13 -46.1 78.7 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.216 0.531 . . . . 10.0 110.404 179.257 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -74.87 -6.8 51.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.676 -0.693 . . . . 10.0 110.815 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -104.39 -35.41 3.35 Favored Glycine 0 N--CA 1.451 -0.364 0 N-CA-C 111.179 -0.769 . . . . 10.0 111.179 179.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 30.0 mt -70.39 -41.33 73.19 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.728 -0.236 . . . . 10.0 110.525 179.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 92.4 mt -50.44 -59.29 7.51 Favored Pre-proline 0 CA--C 1.534 0.364 0 N-CA-C 112.295 0.479 . . . . 10.0 112.295 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -68.14 -38.01 13.32 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 122.01 1.806 . . . . 10.0 112.522 179.115 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.1 -37.4 79.75 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.157 0 C-N-CA 120.905 -0.318 . . . . 10.0 110.735 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 67.1 mt -66.99 -37.34 84.05 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 109.103 -0.703 . . . . 10.0 109.103 178.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -61.57 -43.59 98.58 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 109.36 -0.607 . . . . 10.0 109.36 178.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 8.9 m -63.68 -45.33 90.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.647 -0.706 . . . . 10.0 109.531 178.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -60.73 -42.31 97.07 Favored 'General case' 0 C--N 1.335 -0.056 0 CA-C-N 115.899 -0.592 . . . . 10.0 110.966 179.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -53.88 -45.89 71.19 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 109.989 -0.375 . . . . 10.0 109.989 179.051 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 65.6 t -61.8 -49.67 83.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.932 -0.576 . . . . 10.0 111.257 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.24 -27.53 67.3 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 112.402 0.519 . . . . 10.0 112.402 -179.288 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -80.37 -44.88 18.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.675 -0.239 . . . . 10.0 111.105 179.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 59.4 mt -59.85 -43.81 94.46 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.944 0.402 . . . . 10.0 110.84 179.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 3.4 p -64.0 -39.38 93.99 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.055 -0.52 . . . . 10.0 109.972 179.343 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -63.27 -47.82 80.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.903 -0.59 . . . . 10.0 110.697 179.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 90.5 mt -56.39 -47.64 78.56 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.796 179.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -62.18 -41.94 98.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 10.0 111.118 179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -67.71 -45.69 74.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.132 -0.485 . . . . 10.0 111.889 -179.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -63.05 -34.55 77.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.876 0.37 . . . . 10.0 111.074 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 12.2 m -77.35 -26.83 52.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.767 179.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 25.6 ttmt -75.68 -42.33 51.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.102 -0.499 . . . . 10.0 109.819 179.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 6.1 mptt -75.09 -45.15 43.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.758 -0.656 . . . . 10.0 110.748 179.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 18.2 mt -97.18 64.48 1.94 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.682 -0.488 . . . . 10.0 109.682 179.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 . . . . . 0 C--N 1.322 -0.611 0 CA-C-N 116.098 -0.501 . . . . 10.0 111.449 -179.293 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 46.6 m . . . . . 0 N--CA 1.456 -0.171 0 CA-C-O 120.85 0.357 . . . . 10.0 110.954 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.17 128.33 55.42 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.493 -0.322 . . . . 10.0 110.154 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 73.2 tt0 -87.45 139.2 30.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.623 0.249 . . . . 10.0 110.55 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 99.5 m-85 -131.68 109.86 10.48 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.194 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 46.4 mttm -79.61 108.26 13.02 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.266 -0.424 . . . . 10.0 110.483 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 17.6 mt -108.5 113.43 26.45 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.867 -0.606 . . . . 10.0 110.473 -179.115 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 89.5 t -100.84 123.0 53.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 N-CA-C 109.999 -0.371 . . . . 10.0 109.999 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 2.6 t -86.93 113.3 24.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.516 -0.55 . . . . 10.0 109.516 -179.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.5 m -111.64 152.63 13.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.834 -179.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 143.63 163.76 10.0 Favored Glycine 0 N--CA 1.444 -0.795 0 N-CA-C 111.122 -0.791 . . . . 10.0 111.122 -179.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.36 174.15 6.01 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.101 0.477 . . . . 10.0 111.092 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.48 145.24 27.51 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.906 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 92.94 8.29 61.92 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.975 -0.631 . . . . 10.0 112.284 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 32.0 m -90.83 -24.36 5.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.663 0.268 . . . . 10.0 111.156 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 100.33 22.56 11.42 Favored Glycine 0 CA--C 1.518 0.228 0 C-N-CA 120.921 -0.657 . . . . 10.0 113.113 179.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 2.3 ptmt -65.38 -25.59 67.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.112 0.482 . . . . 10.0 111.621 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.57 -45.85 15.28 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 109.017 -0.735 . . . . 10.0 109.017 178.359 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.17 -44.48 83.54 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.612 -0.722 . . . . 10.0 111.118 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 27.1 mt -59.5 -44.46 93.11 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.925 0.393 . . . . 10.0 110.773 179.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 21.6 m -65.6 -43.18 90.47 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.11 -0.495 . . . . 10.0 111.34 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 98.7 mt -62.76 -33.01 57.7 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 CA-C-O 121.118 0.485 . . . . 10.0 110.905 179.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -70.74 -19.3 62.75 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.967 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 8.2 tp -94.12 -36.94 11.85 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.317 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 51.3 mm -82.4 -67.16 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.899 -179.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -86.88 -13.71 44.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.763 0.316 . . . . 10.0 111.47 -179.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 50.5 m-80 64.33 41.72 5.71 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 113.429 0.9 . . . . 10.0 113.429 178.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 11.8 p80 -146.09 164.12 33.14 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.226 -0.443 . . . . 10.0 109.832 178.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -110.69 130.68 55.51 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.937 0.399 . . . . 10.0 111.605 -178.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 3.0 m -89.94 121.72 40.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.458 179.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -81.41 -26.38 35.44 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.028 0.442 . . . . 10.0 110.606 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -86.72 149.37 24.93 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.971 -0.559 . . . . 10.0 110.635 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -96.36 107.74 20.16 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.08 0.467 . . . . 10.0 111.618 -179.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -112.12 118.09 46.69 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 115.37 -0.832 . . . . 10.0 109.028 179.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -61.67 151.61 79.26 Favored 'Trans proline' 0 CA--C 1.533 0.462 0 C-N-CA 123.158 2.572 . . . . 10.0 112.799 -179.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 1.4 m -119.54 117.7 29.07 Favored 'General case' 0 C--N 1.332 -0.192 0 O-C-N 122.249 -0.282 . . . . 10.0 110.762 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 47.6 mm -88.07 -48.55 15.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 108.295 -1.002 . . . . 10.0 108.295 178.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -175.52 96.8 0.07 Allowed 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.478 -0.783 . . . . 10.0 109.433 179.29 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -131.89 127.29 36.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.507 -0.315 . . . . 10.0 110.31 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 22.2 p -117.47 149.31 40.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.376 -0.375 . . . . 10.0 111.308 -179.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -132.15 146.76 52.24 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.156 -0.474 . . . . 10.0 110.196 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 2.2 mpp_? -112.89 132.55 55.26 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.037 -0.528 . . . . 10.0 109.75 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 54.4 tttp -143.51 125.37 15.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.754 0.311 . . . . 10.0 111.325 -179.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -98.94 116.58 31.49 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.434 -0.348 . . . . 10.0 110.105 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -133.28 164.35 35.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.888 0.375 . . . . 10.0 111.512 -179.152 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 21.7 t -102.61 98.58 7.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.907 -0.588 . . . . 10.0 109.504 179.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 17.4 mt -108.0 122.49 62.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.969 -0.56 . . . . 10.0 110.534 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 58.52 32.64 22.36 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.292 -0.867 . . . . 10.0 111.459 179.548 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.75 7.29 87.56 Favored Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 115.949 -0.569 . . . . 10.0 113.488 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -117.31 143.96 45.38 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.959 0.379 . . . . 10.0 111.47 -179.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.55 104.36 13.61 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.381 -0.599 . . . . 10.0 109.381 178.555 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 3.5 m -105.42 136.39 45.06 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 112.356 0.502 . . . . 10.0 112.356 -178.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 66.2 tp -103.31 103.81 13.87 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.355 -0.98 . . . . 10.0 108.355 177.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 51.4 mt -78.03 121.31 24.06 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 112.758 0.651 . . . . 10.0 112.758 -178.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -106.9 75.95 1.07 Allowed 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 107.578 -1.267 . . . . 10.0 107.578 178.291 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 3.9 mt -79.09 136.38 23.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.54 -0.755 . . . . 10.0 111.581 -177.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 53.7 tp -139.03 106.41 5.53 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.714 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -83.97 121.21 27.08 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.485 -0.561 . . . . 10.0 109.485 178.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 22.8 p -98.33 162.61 13.09 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.049 -0.523 . . . . 10.0 111.434 -178.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.91 127.07 31.8 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.738 -0.664 . . . . 10.0 110.979 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -102.35 15.87 55.77 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.716 -0.755 . . . . 10.0 111.463 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -92.48 20.72 5.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.719 0.295 . . . . 10.0 111.313 -179.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 59.2 -155.28 0.36 Allowed 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.872 -179.529 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 74.3 -44.74 0.57 Allowed 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.14 0.576 . . . . 10.0 111.684 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -76.43 68.68 2.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.12 0.486 . . . . 10.0 110.833 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.77 -57.72 3.53 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.905 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.18 -20.04 52.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.033 -0.53 . . . . 10.0 111.071 -179.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.05 -31.96 44.71 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.712 179.7 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -66.16 -31.02 71.61 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 116.134 -0.485 . . . . 10.0 111.624 -179.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -59.58 -37.1 77.61 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.384 0.612 . . . . 10.0 109.948 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -63.49 -39.74 95.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.331 -0.85 . . . . 10.0 111.262 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -71.43 -42.69 67.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.104 0.478 . . . . 10.0 110.575 179.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 66.2 mtt -63.22 -32.05 73.36 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.517 -0.765 . . . . 10.0 112.991 -178.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -78.27 -4.72 49.26 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.216 0.531 . . . . 10.0 111.515 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 5.5 m -109.4 -44.41 3.91 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 122.136 -0.353 . . . . 10.0 111.366 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.59 152.28 52.25 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.787 -0.72 . . . . 10.0 113.456 -179.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -103.78 -48.55 3.9 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.325 0.584 . . . . 10.0 109.908 179.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -108.59 130.4 10.04 Favored Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 110.919 -0.872 . . . . 10.0 110.919 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -110.68 115.93 30.43 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.282 0.563 . . . . 10.0 111.603 -179.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 12.3 tp -90.1 102.6 15.31 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.563 -0.744 . . . . 10.0 109.864 179.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 3.6 m -85.35 94.22 8.9 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.209 -0.451 . . . . 10.0 109.873 -179.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 42.3 t -101.06 125.49 54.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.144 -0.48 . . . . 10.0 111.341 -178.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -132.67 150.45 52.16 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.193 -0.458 . . . . 10.0 109.855 179.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -87.66 127.15 35.29 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.313 -0.625 . . . . 10.0 109.313 179.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 25.0 pt -65.52 -15.47 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 112.347 0.499 . . . . 10.0 112.347 -179.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -89.65 -11.34 42.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.89 0.376 . . . . 10.0 110.78 179.304 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 43.4 t-20 -116.64 108.84 16.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.293 -179.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 3.1 m -65.38 -33.92 77.09 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.709 0.633 . . . . 10.0 112.709 -179.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -56.27 -44.31 79.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.464 -0.335 . . . . 10.0 111.359 -179.196 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.81 -33.92 76.77 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.775 0.287 . . . . 10.0 111.775 -179.722 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -67.13 -46.41 74.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.299 -0.409 . . . . 10.0 111.209 -179.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -73.41 -27.12 61.28 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.945 0.402 . . . . 10.0 111.467 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -71.36 -17.98 62.39 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.225 0.454 . . . . 10.0 112.225 -179.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 28.3 mm -53.62 -46.46 61.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.796 0.331 . . . . 10.0 110.906 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -63.83 -38.31 90.61 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.472 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -61.93 -41.51 98.03 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.029 -0.532 . . . . 10.0 111.002 -179.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -76.6 -38.38 54.9 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.267 179.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 23.2 ttt180 -58.92 -46.48 87.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.016 -0.538 . . . . 10.0 111.587 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -62.51 -36.46 82.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 10.0 111.67 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -67.39 -43.72 80.66 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.53 -0.544 . . . . 10.0 109.53 179.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 91.9 mt -57.67 -49.68 79.9 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.393 179.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 3.8 mtmp? -65.25 -30.93 71.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.049 -0.523 . . . . 10.0 111.216 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -72.32 -51.71 19.49 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.181 -0.463 . . . . 10.0 111.524 -179.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 95.8 t -64.36 -49.39 81.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.893 -0.594 . . . . 10.0 111.548 -178.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -72.83 -15.58 61.62 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.856 0.317 . . . . 10.0 111.856 -179.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 33.1 t0 57.87 63.86 1.68 Allowed 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.492 0.663 . . . . 10.0 111.504 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 11.0 t -160.28 157.72 28.58 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.394 -0.821 . . . . 10.0 109.477 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -97.37 -30.05 13.16 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.174 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -106.4 103.84 13.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.413 -0.358 . . . . 10.0 110.99 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 55.2 t -118.86 131.84 24.16 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 116.197 -0.456 . . . . 10.0 109.87 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -65.12 104.12 0.57 Allowed 'Trans proline' 0 C--O 1.236 0.384 0 C-N-CA 122.969 2.446 . . . . 10.0 111.474 179.312 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 66.6 mtm -139.58 153.47 47.4 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.521 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 68.2 t -133.41 131.35 57.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 109.222 -0.658 . . . . 10.0 109.222 178.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 11.0 tp -86.2 119.07 26.09 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.735 -0.468 . . . . 10.0 109.735 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 79.5 t -121.22 127.93 75.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 120.992 0.425 . . . . 10.0 111.454 -178.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -105.43 117.22 5.47 Favored Glycine 0 N--CA 1.446 -0.671 0 N-CA-C 110.298 -1.121 . . . . 10.0 110.298 178.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -100.87 166.23 10.95 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 117.147 0.474 . . . . 10.0 111.132 -179.053 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 95.9 mttt 67.1 33.93 5.35 Favored 'General case' 0 N--CA 1.462 0.17 0 O-C-N 123.705 0.628 . . . . 10.0 112.215 179.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 54.7 m -69.64 -6.96 34.91 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.063 0.394 . . . . 10.0 112.063 179.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.79 -29.85 29.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.526 179.342 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 43.9 mt -65.83 127.14 92.89 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 115.911 -0.586 . . . . 10.0 111.951 -178.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -72.81 167.68 26.59 Favored 'Trans proline' 0 C--O 1.236 0.379 0 C-N-CA 122.453 2.102 . . . . 10.0 111.571 179.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 12.7 m 60.2 46.03 10.88 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.821 -0.627 . . . . 10.0 111.677 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 1.7 ptp180 -63.07 142.45 58.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.303 -0.862 . . . . 10.0 111.16 179.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.52 -46.89 8.35 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.671 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 45.7 t -87.67 122.18 39.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.385 -0.37 . . . . 10.0 110.1 179.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -87.2 156.42 19.68 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.105 -0.498 . . . . 10.0 109.756 179.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.29 -42.27 98.37 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.542 -0.299 . . . . 10.0 111.038 -179.26 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 18.5 pttt -54.81 -50.79 67.68 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.675 0.62 . . . . 10.0 112.675 -179.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -69.95 -35.78 74.76 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 111.915 0.339 . . . . 10.0 111.915 -179.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -70.96 -42.57 69.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.247 0.546 . . . . 10.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -70.03 -34.35 73.16 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.816 -0.629 . . . . 10.0 111.802 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -68.26 -35.47 77.95 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 109.726 -0.472 . . . . 10.0 109.726 178.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 16.1 tp -65.39 -43.84 89.41 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 108.825 -0.806 . . . . 10.0 108.825 178.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.4 -35.81 82.06 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.53 -0.759 . . . . 10.0 109.913 178.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -61.09 -41.09 96.02 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.782 -0.645 . . . . 10.0 110.043 179.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 20.1 m -72.33 -25.19 61.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.69 179.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 17.1 m-30 -82.78 -26.54 31.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.518 179.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 86.36 18.95 58.05 Favored Glycine 0 N--CA 1.45 -0.409 0 N-CA-C 111.487 -0.645 . . . . 10.0 111.487 -179.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 41.8 pt -118.33 153.15 51.59 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.787 -0.206 . . . . 10.0 110.563 -179.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -77.0 149.57 28.94 Favored 'Trans proline' 0 C--O 1.236 0.395 0 C-N-CA 122.825 2.35 . . . . 10.0 112.227 179.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -120.7 130.41 54.07 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.091 -0.504 . . . . 10.0 109.912 179.082 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 28.3 mt -127.77 132.05 69.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 120.816 0.341 . . . . 10.0 111.454 -179.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -83.54 127.62 33.87 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 108.804 -0.813 . . . . 10.0 108.804 178.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 62.0 p -139.03 176.82 8.37 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.626 0.727 . . . . 10.0 112.396 -178.077 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.95 114.22 1.08 Allowed 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.228 -1.027 . . . . 10.0 108.228 178.024 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -62.65 -35.19 78.84 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.184 0.439 . . . . 10.0 112.184 -178.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -59.41 -45.73 90.7 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.208 0.447 . . . . 10.0 112.208 -179.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.73 -5.06 46.24 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.618 0.247 . . . . 10.0 111.034 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 29.1 ttt-85 61.65 31.66 18.62 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.784 -179.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -84.28 120.72 26.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.563 -0.744 . . . . 10.0 111.619 -179.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 74.17 10.58 81.55 Favored Glycine 0 CA--C 1.52 0.383 0 N-CA-C 114.545 0.578 . . . . 10.0 114.545 178.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 95.5 t -62.02 -49.16 85.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 117.261 0.531 . . . . 10.0 110.99 -179.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -67.02 -39.97 87.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.259 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -58.32 -43.91 88.42 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.687 -0.688 . . . . 10.0 111.55 -179.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.43 -44.58 95.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.002 -0.544 . . . . 10.0 111.365 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -72.15 -40.47 68.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.33 -0.395 . . . . 10.0 111.831 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 16.3 m-30 -61.25 -47.4 86.21 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.828 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 89.2 m -61.52 -35.24 77.16 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.086 -0.506 . . . . 10.0 111.452 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 17.5 tp -64.27 -35.89 82.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.239 -0.437 . . . . 10.0 110.473 179.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 92.0 t -67.25 -40.15 84.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.321 -0.4 . . . . 10.0 111.059 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.24 -34.89 75.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.413 -0.358 . . . . 10.0 111.181 -179.723 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -66.91 -30.83 71.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 10.0 111.325 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 67.0 mt -73.03 -43.53 58.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.296 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 39.8 mtt85 -63.3 -39.13 93.71 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 109.646 -0.502 . . . . 10.0 109.646 178.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 5.5 ttmt . . . . . 0 C--N 1.326 -0.448 0 CA-C-N 115.322 -0.854 . . . . 10.0 109.067 178.562 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 CA--C 1.532 0.268 0 CA-C-O 120.698 0.285 . . . . 10.0 111.285 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.65 121.14 26.86 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.558 -0.292 . . . . 10.0 110.412 179.743 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -82.79 134.51 35.11 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.111 0.481 . . . . 10.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -129.03 109.87 11.58 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.654 -0.703 . . . . 10.0 109.533 179.304 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 18.6 mtmm -86.27 115.09 23.59 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.225 -0.443 . . . . 10.0 111.581 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 68.2 mt -118.1 138.03 52.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.419 -0.355 . . . . 10.0 111.038 -179.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 61.9 t -117.97 131.98 69.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 116.22 -0.445 . . . . 10.0 110.049 179.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 3.0 t -93.21 110.89 23.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.065 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 11.2 m -109.99 144.51 18.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.125 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 152.81 160.0 9.38 Favored Glycine 0 N--CA 1.447 -0.604 0 N-CA-C 111.299 -0.72 . . . . 10.0 111.299 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.81 172.55 3.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.076 0.465 . . . . 10.0 111.724 -179.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -83.1 147.63 27.99 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.01 0.433 . . . . 10.0 110.659 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.46 -4.02 86.3 Favored Glycine 0 N--CA 1.45 -0.376 0 CA-C-N 115.909 -0.587 . . . . 10.0 113.543 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 12.6 m -80.51 -14.77 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 117.237 0.519 . . . . 10.0 112.28 -179.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.42 43.93 4.78 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.643 -0.789 . . . . 10.0 113.973 179.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 31.4 mtmm -71.71 -53.03 14.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.855 0.359 . . . . 10.0 110.349 179.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 17.4 m -65.9 -29.96 70.48 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.55 -0.75 . . . . 10.0 111.604 -179.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.93 -42.92 72.85 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.829 0.347 . . . . 10.0 110.308 178.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 32.3 mt -71.78 -39.18 70.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.541 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.72 -48.03 76.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.437 -0.347 . . . . 10.0 111.179 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 99.3 mt -64.54 -36.13 76.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.702 -179.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -67.8 -20.47 65.19 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.066 0.46 . . . . 10.0 110.989 179.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 10.0 tp -91.79 -40.64 11.11 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.279 179.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 45.9 mm -77.8 -66.8 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.84 -0.618 . . . . 10.0 112.612 -179.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -93.43 -4.92 50.47 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.451 0.537 . . . . 10.0 112.451 -177.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 58.24 52.73 7.13 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 113.832 1.049 . . . . 10.0 113.832 178.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 14.4 p80 -155.35 151.23 27.68 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 120.592 0.234 . . . . 10.0 110.966 178.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -96.48 131.23 43.28 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.149 -0.478 . . . . 10.0 111.272 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 9.4 m -99.11 129.18 49.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.281 179.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -99.44 -3.88 32.69 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.345 0.593 . . . . 10.0 110.198 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -98.05 122.88 41.72 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.529 -0.76 . . . . 10.0 110.279 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -63.01 122.02 15.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.016 -0.538 . . . . 10.0 111.936 -178.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -120.91 109.85 35.43 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.619 -0.719 . . . . 10.0 110.257 179.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -83.04 65.7 7.92 Favored 'Trans proline' 0 N--CA 1.456 -0.681 0 C-N-CA 123.157 2.571 . . . . 10.0 112.083 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.93 122.33 19.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.994 0.426 . . . . 10.0 110.909 179.356 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 31.6 mm -77.38 -41.92 30.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.791 -0.641 . . . . 10.0 110.14 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -163.22 102.08 0.96 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.355 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -127.38 120.13 27.79 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.205 -0.452 . . . . 10.0 110.678 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.72 148.3 22.24 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.339 -0.391 . . . . 10.0 111.389 -179.405 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -136.61 145.47 44.92 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.28 -0.418 . . . . 10.0 110.278 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -122.72 144.91 48.85 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 116.791 -0.186 . . . . 10.0 110.671 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 49.6 tttp -159.52 153.77 23.71 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.199 179.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -126.9 120.21 28.63 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.881 -0.415 . . . . 10.0 109.881 179.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 4.3 m -139.28 163.06 26.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 110.366 -0.235 . . . . 10.0 110.366 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 24.5 t -97.77 96.03 4.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.204 0.526 . . . . 10.0 109.785 179.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 56.7 mt -94.5 115.31 33.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.649 -0.705 . . . . 10.0 111.31 -178.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 63.13 16.55 9.45 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.072 -0.967 . . . . 10.0 112.277 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 106.99 -10.79 40.68 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.269 -0.967 . . . . 10.0 112.411 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -103.22 131.74 50.03 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 110.133 -0.321 . . . . 10.0 110.133 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.73 109.91 12.14 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.209 -1.034 . . . . 10.0 108.209 178.185 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 2.7 m -107.93 150.91 26.49 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.15 0.5 . . . . 10.0 112.339 -178.03 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 32.1 tp -107.29 115.21 29.76 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 108.113 -1.069 . . . . 10.0 108.113 178.04 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 73.3 mt -89.89 127.27 35.97 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 113.035 0.754 . . . . 10.0 113.035 -177.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -121.64 79.5 1.56 Allowed 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 106.632 -1.618 . . . . 10.0 106.632 177.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 4.4 mt -87.34 143.42 11.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.365 -0.834 . . . . 10.0 111.778 -177.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 36.6 tp -127.44 110.57 12.9 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.872 -0.604 . . . . 10.0 110.845 179.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -89.61 105.54 17.87 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.4 -0.593 . . . . 10.0 109.4 179.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 1.9 p -103.55 159.56 15.49 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.111 -0.495 . . . . 10.0 111.883 -179.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.25 162.06 29.3 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.378 -179.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -127.41 33.47 3.29 Favored Glycine 0 N--CA 1.445 -0.704 0 N-CA-C 111.482 -0.647 . . . . 10.0 111.482 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -90.74 12.2 19.91 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.47 0.176 . . . . 10.0 111.222 -179.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 59.66 -164.11 0.22 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.975 -0.557 . . . . 10.0 111.434 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 70.3 -2.68 2.06 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 112.484 0.55 . . . . 10.0 112.484 179.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -97.2 57.94 1.49 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.725 0.298 . . . . 10.0 110.793 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.6 -40.08 95.77 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.694 -0.684 . . . . 10.0 111.597 -179.218 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.02 -38.48 14.38 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.429 -0.351 . . . . 10.0 111.098 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 24.8 ttt -59.9 -40.94 90.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.368 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 68' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -59.44 -46.48 88.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.892 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -60.03 -30.16 68.99 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 115.765 -0.652 . . . . 10.0 112.036 -179.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -64.27 -60.02 3.7 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.478 0.547 . . . . 10.0 112.478 -179.192 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 71' ' ' TYR . . . . . . . . . . . . . 24.5 p90 -77.42 -20.87 53.91 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 113.468 0.914 . . . . 10.0 113.468 -178.147 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 33.0 mtt -66.39 -25.43 66.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.986 0.422 . . . . 10.0 111.361 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 10.2 mtm180 -82.28 -29.25 31.29 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.813 179.05 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.81 -36.13 20.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.038 -0.528 . . . . 10.0 111.164 -179.304 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.87 130.55 36.36 Favored Glycine 0 N--CA 1.449 -0.458 0 CA-C-N 116.004 -0.544 . . . . 10.0 113.038 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -92.29 -42.46 9.82 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.186 0.517 . . . . 10.0 110.029 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -120.69 138.53 12.84 Favored Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 110.378 -1.089 . . . . 10.0 110.378 178.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 78' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -115.53 131.6 56.88 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.143 0.497 . . . . 10.0 111.865 -178.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 12.0 tp -103.49 104.08 14.11 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.606 -0.725 . . . . 10.0 109.975 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 3.8 m -84.19 99.36 10.48 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.791 -0.448 . . . . 10.0 109.791 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 40.1 t -105.78 131.08 56.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 10.0 111.51 -179.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 17.4 p90 -144.38 157.61 44.17 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.961 -0.563 . . . . 10.0 109.948 179.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -93.9 133.09 37.68 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.28 -0.418 . . . . 10.0 110.662 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 84' ' ' ILE . . . . . . . . . . . . . 20.7 pt -68.07 -12.15 15.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.36 -0.382 . . . . 10.0 111.662 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 40.5 p30 -104.97 13.78 30.46 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.149 0.5 . . . . 10.0 110.492 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -134.92 95.81 3.4 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.136 179.445 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 6.5 m -62.07 -28.15 69.4 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.964 -0.562 . . . . 10.0 111.044 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 23.4 tptp -55.93 -54.08 49.09 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.55 179.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 2.7 p -65.6 -23.0 66.72 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 116.311 -0.404 . . . . 10.0 111.671 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -68.27 -33.63 74.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.067 0.461 . . . . 10.0 110.036 179.238 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -85.88 -21.07 28.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.178 179.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -67.54 -29.19 68.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.536 -0.756 . . . . 10.0 110.763 179.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 50.0 mm -52.31 -45.82 44.88 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.157 0 CA-C-N 115.895 -0.593 . . . . 10.0 111.123 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 42.9 t60 -59.09 -50.71 73.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 10.0 110.769 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 74.8 m-70 -56.0 -48.12 76.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.931 -0.577 . . . . 10.0 111.698 -179.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -65.06 -49.5 69.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.436 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -57.25 -48.31 79.16 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.068 -0.515 . . . . 10.0 111.951 -179.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -66.46 -31.5 72.29 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.198 -0.455 . . . . 10.0 111.719 -179.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -71.73 -42.19 67.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.682 0.277 . . . . 10.0 110.644 179.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 75.6 mt -57.26 -43.23 81.62 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.619 179.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 29.4 mtmt -59.54 -35.24 73.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.888 -0.596 . . . . 10.0 111.123 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 6.8 tmm_? -73.64 -45.28 53.69 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.037 -179.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 36.9 t -64.47 -44.48 96.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.019 -0.537 . . . . 10.0 112.101 -179.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 30.7 mtpp -88.36 -5.17 58.46 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.412 -179.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 30.2 t70 52.35 61.57 3.13 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.031 -0.531 . . . . 10.0 111.431 -179.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 43.5 t -169.31 131.82 1.22 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.736 -0.666 . . . . 10.0 110.65 -179.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.07 -22.81 58.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.431 0.634 . . . . 10.0 109.422 178.661 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -98.26 109.01 21.84 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.641 -0.708 . . . . 10.0 110.231 179.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 94.0 t -136.44 127.08 16.47 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 115.781 -0.645 . . . . 10.0 109.665 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -60.6 103.99 0.24 Allowed 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.661 2.241 . . . . 10.0 112.057 179.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 111' ' ' MET . . . . . . . . . . . . . 55.0 mtm -138.62 150.31 46.13 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.266 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 86.1 t -130.75 133.97 62.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.013 -0.736 . . . . 10.0 109.013 178.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 12.7 tp -84.45 108.92 17.51 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.53 -0.545 . . . . 10.0 109.53 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 59.7 t -104.48 116.33 48.07 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.479 -178.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -98.24 119.03 6.31 Favored Glycine 0 N--CA 1.443 -0.84 0 N-CA-C 110.128 -1.189 . . . . 10.0 110.128 178.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 67.3 t30 -105.15 164.87 11.49 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.796 0.298 . . . . 10.0 110.996 -179.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 89.4 mttt 67.79 28.38 7.15 Favored 'General case' 0 CA--C 1.522 -0.128 0 CA-C-N 115.36 -0.836 . . . . 10.0 112.004 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 118' ' ' CYS . . . . . . . . . . . . . 94.2 m -72.03 -16.34 62.05 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.81 0.67 . . . . 10.0 112.81 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -86.63 -3.8 59.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.76 0.314 . . . . 10.0 111.456 -179.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 87.0 mt -88.22 133.2 37.36 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.243 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -63.8 144.94 90.05 Favored 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 122.361 2.041 . . . . 10.0 111.855 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 20.7 m 72.12 110.24 0.06 Allowed 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.839 -0.618 . . . . 10.0 111.964 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -121.38 130.36 53.56 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.857 -0.61 . . . . 10.0 110.693 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -80.12 -34.93 37.41 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.242 0.544 . . . . 10.0 110.189 179.502 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 60.0 t -93.61 125.87 46.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.683 -0.689 . . . . 10.0 110.45 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -76.72 139.57 40.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.903 -0.59 . . . . 10.0 110.193 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 3.6 m -59.43 -45.51 91.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.442 -0.345 . . . . 10.0 111.014 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 33.5 mtmm -65.04 -32.58 74.37 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.427 -179.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -65.74 -45.11 83.83 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.0 -0.545 . . . . 10.0 109.851 179.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -70.11 -35.07 73.87 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.789 -0.641 . . . . 10.0 110.385 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -65.34 -48.19 73.88 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.824 -0.625 . . . . 10.0 110.679 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -65.06 -36.48 84.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.432 . . . . 10.0 110.874 179.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 22.5 tp -65.44 -43.18 91.26 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 109.647 -0.501 . . . . 10.0 109.647 178.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.17 -34.77 78.83 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.376 -0.602 . . . . 10.0 109.376 178.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 7.0 tmm_? -62.47 -37.23 85.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.642 -0.708 . . . . 10.0 109.436 178.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 5.8 m -66.39 -40.13 89.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.781 -0.645 . . . . 10.0 111.022 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -76.9 -26.94 54.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.801 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 88.06 24.24 35.43 Favored Glycine 0 N--CA 1.45 -0.395 0 N-CA-C 111.21 -0.756 . . . . 10.0 111.21 -179.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 47.0 pt -113.82 152.89 46.0 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 115.482 -0.359 . . . . 10.0 110.881 -179.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_exo -74.58 148.83 37.92 Favored 'Trans proline' 0 C--O 1.236 0.377 0 C-N-CA 122.91 2.407 . . . . 10.0 111.961 179.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -128.99 131.29 47.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.869 -0.605 . . . . 10.0 110.687 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 6.0 mt -139.52 127.62 26.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.169 -0.468 . . . . 10.0 111.098 179.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -76.83 132.18 39.05 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 108.818 -0.808 . . . . 10.0 108.818 177.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 11.0 p -137.67 178.5 7.06 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 113.76 1.022 . . . . 10.0 113.76 -178.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 11.0 t -167.42 118.4 0.87 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.084 -0.962 . . . . 10.0 109.017 179.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -75.15 -31.57 61.07 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.335 0.494 . . . . 10.0 112.335 -178.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -65.98 -28.8 69.17 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.885 0.374 . . . . 10.0 111.647 -179.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 42.2 p -107.32 -3.89 19.19 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.793 0.33 . . . . 10.0 110.685 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 56.34 57.3 5.04 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 122.016 0.912 . . . . 10.0 110.953 -178.801 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -107.39 110.69 22.74 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.098 -0.955 . . . . 10.0 110.941 -179.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 64.96 29.23 74.83 Favored Glycine 0 CA--C 1.52 0.389 0 N-CA-C 114.528 0.571 . . . . 10.0 114.528 178.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 29.6 t -66.36 -56.29 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.078 0.466 . . . . 10.0 109.947 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -67.07 -32.13 73.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.666 -0.697 . . . . 10.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -61.77 -46.24 90.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.057 -0.519 . . . . 10.0 111.913 -179.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -56.4 -44.91 80.74 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.92 0.39 . . . . 10.0 111.022 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -69.08 -41.91 76.9 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.33 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -58.74 -43.07 90.12 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.191 0.519 . . . . 10.0 110.109 179.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 86.7 m -63.44 -39.54 94.76 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.615 -0.721 . . . . 10.0 111.603 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 13.5 tp -63.05 -36.95 85.27 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-O 120.961 0.41 . . . . 10.0 111.244 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 22.7 t -66.9 -36.2 76.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 N-CA-C 109.695 -0.483 . . . . 10.0 109.695 178.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -63.2 -38.77 92.49 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 115.717 -0.674 . . . . 10.0 110.253 179.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -66.15 -38.68 88.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.027 -0.533 . . . . 10.0 109.996 179.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 82.5 mt -64.13 -48.07 87.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.162 178.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 44.2 mtt85 -65.78 -35.25 80.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.241 0.543 . . . . 10.0 109.621 179.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -62.69 -47.91 81.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.384 -0.826 . . . . 10.0 110.189 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 46.0 t-80 -59.17 -44.73 92.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 10.0 111.166 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 96.2 mttt . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.485 -0.325 . . . . 10.0 111.356 179.867 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 5.1 tmtm? . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.7 0.286 . . . . 10.0 111.356 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 36.7 mt -62.59 -36.09 81.59 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.201 0.445 . . . . 10.0 112.201 -179.352 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 71.5 mt -74.99 -52.53 10.89 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.786 0.327 . . . . 10.0 110.968 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -57.82 -44.22 86.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.73 -0.668 . . . . 10.0 112.118 -179.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -74.38 -18.18 60.71 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.071 0.463 . . . . 10.0 111.76 -179.63 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 35.6 t90 -77.67 -28.94 51.32 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.068 0.461 . . . . 10.0 110.146 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -63.61 -36.71 84.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.682 179.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.67 -39.4 94.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.342 179.607 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 40.1 t -68.7 -43.3 83.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 109.53 -0.545 . . . . 10.0 109.53 179.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 23.0 m -61.94 -44.86 95.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.364 -0.835 . . . . 10.0 111.51 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 4.2 p -64.25 -35.51 81.06 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.87 0.367 . . . . 10.0 110.51 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 30.7 m -64.32 -47.28 79.99 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 108.962 -0.755 . . . . 10.0 108.962 178.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -60.85 -38.77 86.68 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.152 -0.476 . . . . 10.0 111.201 179.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 60.5 m -62.35 -49.42 75.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.787 0.327 . . . . 10.0 110.412 178.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 41.9 mttt -65.52 -35.25 80.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.893 0.378 . . . . 10.0 110.33 179.114 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 58.9 mt -63.11 -40.92 99.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 10.0 109.916 178.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 78.3 mtt180 -67.89 -34.78 77.31 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.521 -0.309 . . . . 10.0 110.506 179.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -66.52 -31.44 72.17 Favored 'General case' 0 C--O 1.225 -0.219 0 N-CA-C 108.969 -0.752 . . . . 10.0 108.969 178.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -82.28 -31.1 30.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.354 -0.839 . . . . 10.0 109.737 178.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 38.9 mt -59.29 -33.73 71.44 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.426 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -53.87 -67.03 2.36 Favored Glycine 0 C--N 1.335 0.493 0 N-CA-C 110.717 -0.953 . . . . 10.0 110.717 177.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -56.44 -42.12 68.96 Favored 'Trans proline' 0 N--CA 1.464 -0.252 0 C-N-CA 122.475 2.117 . . . . 10.0 110.87 177.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 15.5 t -53.74 -51.42 44.04 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.145 0 CA-C-N 116.552 -0.295 . . . . 10.0 111.152 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 17.7 p -66.5 -37.4 84.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.737 0.303 . . . . 10.0 110.739 179.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -63.54 -52.88 59.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.413 -0.358 . . . . 10.0 110.75 179.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -60.53 -44.22 96.3 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.339 0.59 . . . . 10.0 109.9 179.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -63.17 -48.07 79.95 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.567 -0.742 . . . . 10.0 110.77 179.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -62.48 -39.35 93.17 Favored 'General case' 0 C--N 1.331 -0.219 0 O-C-N 123.435 0.46 . . . . 10.0 110.284 179.61 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -61.07 -45.65 93.9 Favored 'General case' 0 C--O 1.237 0.417 0 N-CA-C 109.141 -0.688 . . . . 10.0 109.141 178.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -64.26 -40.64 96.42 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.463 -0.79 . . . . 10.0 109.612 178.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 95.8 mt -61.78 -35.94 79.61 Favored 'General case' 0 N--CA 1.461 0.086 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.152 178.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -63.55 -37.89 89.04 Favored 'General case' 0 CA--C 1.52 -0.19 0 N-CA-C 109.765 -0.458 . . . . 10.0 109.765 178.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 68.6 mttt -73.49 -37.89 65.58 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.529 -0.545 . . . . 10.0 109.529 178.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.62 -46.83 83.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.521 -0.763 . . . . 10.0 109.871 179.544 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 21.4 p -72.18 -28.41 63.2 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.888 -0.596 . . . . 10.0 110.343 179.156 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.86 -45.63 91.67 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 108.506 -0.924 . . . . 10.0 108.506 178.538 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -63.01 -41.77 99.82 Favored Glycine 0 N--CA 1.44 -1.05 0 N-CA-C 110.287 -1.125 . . . . 10.0 110.287 178.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 87.4 mt -64.52 -38.12 89.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.66 0.267 . . . . 10.0 110.479 179.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 18.8 mtm180 -65.69 -38.42 89.2 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 110.097 -0.335 . . . . 10.0 110.097 178.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -69.23 -39.95 78.22 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.227 -0.657 . . . . 10.0 109.227 178.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -73.62 -18.76 61.01 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.685 -0.689 . . . . 10.0 111.001 179.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 42.6 ttm -62.59 -30.3 71.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.374 0.607 . . . . 10.0 109.476 178.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.41 4.55 20.52 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.513 -0.767 . . . . 10.0 110.335 179.121 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 41.4 mttm -127.15 -63.87 1.03 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.343 -0.39 . . . . 10.0 110.179 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 246' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.47 -50.08 60.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.465 -0.789 . . . . 10.0 111.667 -179.377 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . 94.6 mt -87.07 -37.0 17.83 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.428 0.529 . . . . 10.0 112.428 -179.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -65.88 -51.53 57.98 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.795 0.331 . . . . 10.0 111.472 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -68.64 -33.93 74.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.525 -0.307 . . . . 10.0 111.215 -179.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 250' ' ' VAL . . . . . . . . . . . . . 1.1 p -64.25 -33.81 64.98 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.169 0 C-N-CA 120.394 -0.522 . . . . 10.0 110.192 179.273 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -82.3 -40.75 21.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.556 179.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -62.04 -37.55 85.35 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.761 -0.459 . . . . 10.0 109.761 179.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -89.08 -18.56 27.02 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.627 -0.715 . . . . 10.0 111.732 179.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 254' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.83 -27.54 42.7 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 C-N-CA 120.753 -0.379 . . . . 10.0 110.74 -179.594 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -65.67 -62.02 5.0 Favored Pre-proline 0 CA--C 1.535 0.368 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.625 178.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -61.77 -34.71 82.4 Favored 'Trans proline' 0 C--N 1.356 0.958 0 C-N-CA 121.69 1.593 . . . . 10.0 111.528 178.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 6.2 m-30 -62.23 -51.27 68.44 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.928 0.394 . . . . 10.0 110.474 179.379 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 22.9 mt -69.3 -39.46 78.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.953 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -60.77 -45.42 94.4 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.346 -0.388 . . . . 10.0 110.528 179.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -66.85 -50.64 61.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.223 -0.444 . . . . 10.0 111.211 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -63.89 -48.04 78.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.291 -0.413 . . . . 10.0 112.104 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -64.0 -30.59 71.65 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.6 0.238 . . . . 10.0 110.444 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 23.1 ttmt -63.18 -47.72 81.41 Favored 'General case' 0 CA--C 1.52 -0.195 0 N-CA-C 109.048 -0.723 . . . . 10.0 109.048 178.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 264' ' ' LYS . . . . . . . . . . . . . 70.5 mttt -69.51 -39.17 77.74 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.182 -0.917 . . . . 10.0 110.395 178.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 20.7 m95 -64.17 -36.02 82.68 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.484 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -63.74 -43.65 95.84 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 108.741 -0.837 . . . . 10.0 108.741 177.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -64.16 -39.35 93.82 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 109.079 -0.712 . . . . 10.0 109.079 178.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -58.64 -45.45 89.24 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.936 -0.574 . . . . 10.0 109.499 178.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 92.3 mmm -68.44 -43.14 77.72 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.513 -0.767 . . . . 10.0 110.613 179.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -60.59 -53.52 56.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.297 -0.41 . . . . 10.0 110.155 179.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 32.7 mt -59.33 -38.92 81.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.339 -0.391 . . . . 10.0 110.417 179.384 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -61.2 -50.65 72.28 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.128 178.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -66.58 -31.09 71.57 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.326 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 -67.79 -24.34 65.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.171 0.51 . . . . 10.0 109.954 178.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 275' ' ' LYS . . . . . . . . . . . . . 10.2 mptt -96.31 -38.8 9.94 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.564 -0.743 . . . . 10.0 110.322 178.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 13.9 t -48.71 -49.21 14.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 N-CA-C 112.685 0.624 . . . . 10.0 112.685 -179.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 69.0 mt-10 -58.52 -60.71 9.45 Favored Pre-proline 0 CA--C 1.537 0.468 0 N-CA-C 113.427 0.899 . . . . 10.0 113.427 -179.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -63.37 -39.91 34.64 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 121.893 1.729 . . . . 10.0 112.466 179.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 37.7 mt -65.4 -41.22 93.86 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 121.209 -0.196 . . . . 10.0 110.961 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 -64.85 -32.16 73.72 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.35 -0.611 . . . . 10.0 109.35 178.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -65.45 -44.07 88.41 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.298 -0.63 . . . . 10.0 109.298 178.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -63.18 -46.21 88.17 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 115.59 -0.732 . . . . 10.0 109.235 178.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 81.1 mt -66.02 -31.57 72.53 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.665 179.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -67.07 -48.66 67.56 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 109.2 -0.667 . . . . 10.0 109.2 179.117 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -67.12 -40.04 86.75 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.406 -0.59 . . . . 10.0 109.406 178.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -61.33 -46.05 95.22 Favored Glycine 0 N--CA 1.443 -0.887 0 N-CA-C 110.577 -1.009 . . . . 10.0 110.577 178.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -64.04 -38.76 92.23 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.845 -0.428 . . . . 10.0 109.845 178.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -58.26 -55.54 33.62 Favored 'General case' 0 C--O 1.223 -0.327 0 N-CA-C 109.447 -0.575 . . . . 10.0 109.447 178.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -60.95 -48.13 83.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.774 -0.648 . . . . 10.0 111.583 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 50.5 mttp -59.48 -42.39 91.99 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.646 0.26 . . . . 10.0 111.622 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 81.0 mt -74.99 -36.4 62.0 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.447 -0.342 . . . . 10.0 110.71 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -62.93 -46.64 86.84 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 109.387 -0.597 . . . . 10.0 109.387 178.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.81 -38.5 82.14 Favored 'General case' 0 N--CA 1.456 -0.165 0 O-C-N 123.739 0.649 . . . . 10.0 109.748 178.397 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 19.7 mt -65.44 -46.9 78.06 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 115.912 -0.586 . . . . 10.0 109.933 178.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -64.23 -30.63 71.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.162 -0.472 . . . . 10.0 111.244 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -63.38 -19.41 64.63 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.059 -0.518 . . . . 10.0 110.069 178.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -107.08 -38.19 6.09 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.638 -0.71 . . . . 10.0 110.191 178.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 72.5 mt -55.52 -27.03 46.33 Favored 'General case' 0 N--CA 1.462 0.161 0 C-N-CA 122.537 0.335 . . . . 10.0 111.851 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 299' ' ' SER . . . . . . . . . . . . . 5.0 m -79.31 -64.86 0.32 Allowed Pre-proline 0 CA--C 1.54 0.594 0 N-CA-C 111.887 0.328 . . . . 10.0 111.887 179.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 300' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -63.57 -43.82 16.05 Favored 'Trans proline' 0 C--N 1.355 0.904 0 C-N-CA 122.164 1.909 . . . . 10.0 112.183 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 80.8 mt -71.99 -27.69 62.92 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.76 -0.459 . . . . 10.0 109.76 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -69.68 -52.88 18.34 Favored Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 111.087 -0.805 . . . . 10.0 111.087 179.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -61.97 -39.14 91.13 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 109.33 -0.618 . . . . 10.0 109.33 179.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -63.73 -39.18 93.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.52 -0.764 . . . . 10.0 109.781 178.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 8.2 tpt -65.68 -39.19 91.05 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.816 -0.438 . . . . 10.0 109.816 179.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 45.3 mtt180 -68.26 -43.14 78.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.881 -0.599 . . . . 10.0 109.643 179.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -64.68 -43.25 94.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.801 -0.636 . . . . 10.0 110.417 179.172 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 7.6 mmt180 -65.2 -35.09 79.98 Favored 'General case' 0 CA--C 1.517 -0.307 0 N-CA-C 109.423 -0.584 . . . . 10.0 109.423 178.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -68.24 -31.82 71.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.743 -0.662 . . . . 10.0 109.447 178.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 310' ' ' ARG . . . . . . . . . . . . . 71.7 mtt180 -60.47 -51.48 69.29 Favored 'General case' 0 C--O 1.224 -0.27 0 N-CA-C 108.792 -0.818 . . . . 10.0 108.792 178.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -67.25 -34.25 77.05 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.065 -0.516 . . . . 10.0 109.93 179.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -58.69 -53.09 62.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.408 -0.815 . . . . 10.0 110.07 178.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 26.3 t -76.64 -35.25 25.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.72 -0.673 . . . . 10.0 111.852 -179.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.1 -43.13 99.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.931 0.396 . . . . 10.0 110.002 179.257 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -66.77 -35.53 80.3 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 109.194 -0.669 . . . . 10.0 109.194 178.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 17.2 mt -65.3 -47.11 77.74 Favored 'General case' 0 C--O 1.224 -0.248 0 CA-C-N 115.625 -0.716 . . . . 10.0 109.742 178.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 12.2 mtm105 -61.37 -41.6 97.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.126 0.488 . . . . 10.0 110.147 178.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 93.7 m -60.85 -32.64 72.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.628 -0.715 . . . . 10.0 110.6 179.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 12.2 m80 -87.31 -38.12 16.54 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.275 -0.42 . . . . 10.0 111.024 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 72.9 mt -67.14 -34.52 77.75 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.291 0.478 . . . . 10.0 112.291 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -52.64 -59.24 9.2 Favored Pre-proline 0 CA--C 1.537 0.451 0 N-CA-C 112.466 0.543 . . . . 10.0 112.466 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -70.73 -36.36 8.34 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 121.495 1.463 . . . . 10.0 111.422 179.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 11.0 m-30 -60.15 -45.37 93.3 Favored 'General case' 0 C--N 1.334 -0.086 0 CA-C-N 116.455 -0.339 . . . . 10.0 111.703 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 23.2 p -65.18 -36.01 82.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.785 0.326 . . . . 10.0 110.5 179.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.91 -43.41 79.3 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-O 121.02 0.438 . . . . 10.0 110.204 179.168 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -67.41 -31.77 72.21 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.349 -0.612 . . . . 10.0 109.349 178.061 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 12.3 mt -66.3 -35.56 80.71 Favored 'General case' 0 CA--C 1.519 -0.236 0 N-CA-C 109.116 -0.698 . . . . 10.0 109.116 177.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 -62.89 -40.37 97.32 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.688 -0.856 . . . . 10.0 108.688 178.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -67.09 -39.36 86.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.471 -0.786 . . . . 10.0 109.381 178.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 46.0 mtt-85 -62.38 -54.33 41.92 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 115.815 -0.63 . . . . 10.0 110.016 179.082 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 86.1 mt -60.56 -35.75 76.82 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.651 -0.704 . . . . 10.0 111.292 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -63.59 -51.46 65.2 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.017 179.057 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -60.91 -42.18 97.57 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.274 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 27.1 mmt180 -61.03 -49.64 76.59 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-N 115.753 -0.658 . . . . 10.0 109.86 178.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 16.4 mt -59.37 -43.51 92.86 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 116.27 -0.423 . . . . 10.0 111.433 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -63.79 -43.55 95.98 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.472 -0.331 . . . . 10.0 111.047 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -65.51 -42.75 91.72 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.555 -0.535 . . . . 10.0 109.555 178.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 80.0 mt -65.36 -26.19 67.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.425 -0.807 . . . . 10.0 110.786 179.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 71.3 mttt -82.2 -49.53 10.02 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.847 -0.161 . . . . 10.0 110.86 179.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -59.56 -51.57 69.28 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.159 0.504 . . . . 10.0 110.072 179.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -73.23 -31.3 64.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.795 -0.639 . . . . 10.0 109.8 179.234 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -62.67 -44.64 97.22 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 121.088 -0.577 . . . . 10.0 111.903 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -62.95 -39.23 97.8 Favored Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 110.483 -1.047 . . . . 10.0 110.483 178.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -65.11 -41.77 94.59 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.705 -0.48 . . . . 10.0 109.705 178.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 23.3 mtm180 -65.52 -45.32 83.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.568 -0.742 . . . . 10.0 110.754 179.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 22.0 mt -59.66 -49.59 77.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.416 -0.356 . . . . 10.0 110.615 179.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.88 -41.44 87.13 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.303 179.237 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -65.48 -45.01 85.31 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.563 179.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -66.25 -37.17 84.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.344 -0.389 . . . . 10.0 111.046 179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 32.0 m-70 -63.86 -41.01 97.88 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.201 -0.666 . . . . 10.0 109.201 178.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -67.94 -44.97 75.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.861 -0.609 . . . . 10.0 109.605 178.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 12.8 mtmm -60.52 -40.41 91.32 Favored 'General case' 0 C--O 1.226 -0.182 0 CA-C-N 116.049 -0.523 . . . . 10.0 110.172 179.004 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -62.68 -34.34 76.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.214 -0.448 . . . . 10.0 109.957 178.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 12.8 m -68.31 -37.59 80.74 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.032 -0.729 . . . . 10.0 109.032 178.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -68.94 -34.61 75.64 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.404 -0.591 . . . . 10.0 109.404 178.158 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -73.08 -29.58 63.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.646 -0.706 . . . . 10.0 109.549 178.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 17.9 mt -71.27 -41.99 69.33 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.924 -0.58 . . . . 10.0 111.358 179.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.49 -45.48 92.84 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.005 0.431 . . . . 10.0 110.043 179.605 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 1.9 p -71.26 -29.96 65.72 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.065 179.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 38.7 tp -68.62 -35.01 76.74 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 108.887 -0.783 . . . . 10.0 108.887 177.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 49.5 m -63.03 -32.0 73.27 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.807 -0.633 . . . . 10.0 109.775 178.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -70.63 -20.55 62.72 Favored 'General case' 0 CA--C 1.522 -0.1 0 CA-C-N 115.96 -0.563 . . . . 10.0 109.681 178.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 363' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -91.68 -46.94 7.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.719 -0.673 . . . . 10.0 109.6 179.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -67.19 -31.11 71.29 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.681 -0.69 . . . . 10.0 112.388 -179.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -102.66 -79.2 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.509 0 N-CA-C 113.867 1.062 . . . . 10.0 113.867 -179.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -59.15 -53.27 3.76 Favored 'Trans proline' 0 C--N 1.356 0.923 0 C-N-CA 122.101 1.867 . . . . 10.0 114.052 -178.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 367' ' ' ALA . . . . . . . . . . . . . . . -58.87 -53.52 57.48 Favored 'General case' 0 C--N 1.333 -0.135 0 N-CA-C 111.541 0.2 . . . . 10.0 111.541 -179.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 10.6 mt -60.63 -37.36 81.22 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-N 116.703 -0.226 . . . . 10.0 111.035 179.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.8 -53.18 60.98 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.826 -0.435 . . . . 10.0 109.826 178.657 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -59.78 -40.35 87.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.732 -0.667 . . . . 10.0 110.334 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 96.1 mt -66.46 -41.36 89.17 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.784 -0.644 . . . . 10.0 110.765 179.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -66.82 -44.59 80.78 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.834 -0.432 . . . . 10.0 109.834 179.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -63.92 -29.32 70.51 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.58 -0.737 . . . . 10.0 110.129 179.234 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -83.15 -28.78 35.89 Favored Glycine 0 N--CA 1.449 -0.461 0 N-CA-C 110.981 -0.848 . . . . 10.0 110.981 178.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 9.3 mt -73.45 -28.3 61.88 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 122.24 0.216 . . . . 10.0 111.009 179.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 71.6 mt -53.61 -59.78 8.72 Favored Pre-proline 0 CA--C 1.534 0.356 0 CA-C-N 116.158 -0.474 . . . . 10.0 111.148 179.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -65.34 -26.79 55.73 Favored 'Trans proline' 0 C--N 1.355 0.87 0 C-N-CA 121.774 1.649 . . . . 10.0 111.059 178.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 18.7 t -62.86 -51.22 74.65 Favored 'Isoleucine or valine' 0 C--O 1.231 0.125 0 N-CA-C 108.828 -0.805 . . . . 10.0 108.828 178.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 91.3 mt -61.83 -36.51 81.37 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.256 -0.646 . . . . 10.0 109.256 178.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -62.28 -49.5 75.41 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.493 178.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 7.6 p -65.26 -33.58 76.32 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 120.914 0.387 . . . . 10.0 110.702 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -70.82 -38.84 73.29 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.98 -0.555 . . . . 10.0 111.037 179.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -58.28 -45.47 87.85 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 109.749 -0.463 . . . . 10.0 109.749 178.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 43.0 t -56.58 -48.24 80.78 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.575 179.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 1.6 p -65.04 -35.25 80.56 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.312 -0.404 . . . . 10.0 111.928 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -69.63 -40.41 76.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.696 0.284 . . . . 10.0 110.746 179.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 53.2 mt -61.16 -46.66 89.6 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.84 179.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 2.0 p -69.16 -36.11 77.03 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 120.838 0.351 . . . . 10.0 110.836 179.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -58.94 -48.7 80.57 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.688 179.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 97.4 mt -61.09 -36.16 78.94 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.454 179.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -68.79 -45.24 71.81 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.956 -0.566 . . . . 10.0 110.134 179.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -56.98 -39.89 75.48 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.077 0.465 . . . . 10.0 110.358 179.024 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -64.82 -47.86 76.47 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.833 -0.621 . . . . 10.0 110.586 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 10.0 m -68.49 -26.44 65.47 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 112.205 0.446 . . . . 10.0 112.205 -179.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -81.16 -30.92 34.32 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.076 0.399 . . . . 10.0 112.076 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -99.6 -47.4 5.11 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 113.414 0.894 . . . . 10.0 113.414 -178.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 69.7 mt -83.38 -6.48 59.48 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.349 0.5 . . . . 10.0 112.349 -178.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 54.7 t30 . . . . . 0 C--N 1.325 -0.498 0 CA-C-O 120.594 0.235 . . . . 10.0 110.872 -179.949 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 3.0 mm? . . . . . 0 N--CA 1.462 0.147 0 CA-C-O 120.897 0.38 . . . . 10.0 110.408 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.91 18.2 22.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.562 -179.609 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 91.6 mt -66.52 -23.52 66.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.856 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 58.7 mt -64.33 -42.15 96.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.035 -0.529 . . . . 10.0 109.681 179.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -67.8 -36.55 80.62 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.522 -0.763 . . . . 10.0 109.686 179.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -64.66 -45.41 86.88 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.872 -0.788 . . . . 10.0 108.872 178.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -64.09 -36.57 84.45 Favored 'General case' 0 N--CA 1.456 -0.135 0 CA-C-N 115.414 -0.812 . . . . 10.0 110.542 179.587 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -63.11 -44.1 96.59 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.069 0.461 . . . . 10.0 109.85 178.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 40.1 m -61.76 -34.83 76.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.741 -0.663 . . . . 10.0 110.317 178.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 93.2 t -72.34 -42.61 65.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.263 0.554 . . . . 10.0 109.799 178.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 41.5 m -63.44 -39.64 95.01 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.892 -0.595 . . . . 10.0 110.016 179.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 50.7 m -63.74 -43.97 94.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.597 178.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -68.33 -32.83 73.23 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.814 0.34 . . . . 10.0 110.544 179.363 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 5.2 m-30 -66.68 -38.2 86.3 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.045 -0.724 . . . . 10.0 109.045 178.093 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 22.4 m -68.16 -37.17 80.73 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 108.799 -0.815 . . . . 10.0 108.799 178.091 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 38.4 mmtt -66.99 -27.21 67.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.028 178.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 68.7 mt -68.91 -38.22 79.43 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 108.513 -0.921 . . . . 10.0 108.513 177.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 71.5 mtt180 -66.31 -32.97 74.69 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.416 -0.811 . . . . 10.0 109.824 178.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -62.49 -26.42 68.53 Favored 'General case' 0 C--O 1.226 -0.157 0 CA-C-N 115.606 -0.724 . . . . 10.0 109.354 178.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -90.78 -50.7 5.75 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.565 -0.743 . . . . 10.0 109.106 178.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 95.9 mt -46.14 -43.86 15.31 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.603 -0.726 . . . . 10.0 112.212 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -57.11 -76.76 0.19 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 121.093 -0.575 . . . . 10.0 112.458 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -54.76 -43.09 62.5 Favored 'Trans proline' 0 C--O 1.234 0.291 0 C-N-CA 123.191 2.594 . . . . 10.0 113.135 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 46.6 t -56.23 -50.67 69.87 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.369 0 N-CA-C 111.995 0.368 . . . . 10.0 111.995 -179.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 39.5 p -65.58 -35.54 81.14 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.697 -0.401 . . . . 10.0 111.118 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -57.06 -49.54 75.53 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.033 -0.531 . . . . 10.0 110.434 179.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -81.55 -25.2 36.05 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.916 -0.584 . . . . 10.0 111.139 179.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -65.18 -42.78 93.3 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.831 -0.433 . . . . 10.0 109.831 179.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 10.3 m95 -66.94 -36.04 81.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.966 -0.561 . . . . 10.0 109.534 178.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -67.94 -37.42 81.61 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.515 -0.92 . . . . 10.0 108.515 178.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -65.08 -43.96 90.44 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 115.292 -0.867 . . . . 10.0 108.665 177.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 96.8 mt -59.09 -36.33 74.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.274 -0.875 . . . . 10.0 110.136 179.169 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -66.1 -42.36 89.39 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.219 178.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 36.7 mttp -63.69 -40.95 98.06 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 108.957 -0.757 . . . . 10.0 108.957 178.366 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -65.0 -46.93 79.35 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.493 -0.776 . . . . 10.0 110.361 178.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 1.7 p -65.72 -47.07 76.59 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-N 116.692 -0.231 . . . . 10.0 111.448 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -61.37 -42.19 98.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.683 0.278 . . . . 10.0 110.326 178.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -63.95 -49.32 68.41 Favored Glycine 0 N--CA 1.446 -0.64 0 N-CA-C 110.314 -1.114 . . . . 10.0 110.314 178.304 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 11.4 mt -60.27 -34.76 74.17 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-O 120.514 0.197 . . . . 10.0 110.791 178.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 71.2 mtt180 -66.25 -36.77 83.87 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.689 -0.485 . . . . 10.0 109.689 178.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -70.93 -34.1 71.16 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.275 0.56 . . . . 10.0 109.628 178.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -73.82 -47.86 35.48 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.504 -0.771 . . . . 10.0 109.965 178.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 96.8 mmm -72.07 -24.79 61.57 Favored 'General case' 0 C--O 1.225 -0.209 0 N-CA-C 113.453 0.909 . . . . 10.0 113.453 -178.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 2.8 p -64.08 -56.72 12.94 Favored 'General case' 0 CA--C 1.512 -0.489 0 C-N-CA 120.168 -0.613 . . . . 10.0 109.727 179.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 22.4 mtpp -62.89 -35.02 78.66 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.479 -0.563 . . . . 10.0 109.479 178.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -63.08 -54.41 38.48 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.481 -0.781 . . . . 10.0 110.729 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 89.6 mt -67.87 -42.92 80.56 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.336 -0.393 . . . . 10.0 111.922 -179.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 446' ' ' GLU . . . . . 0.41 ' CD ' ' HZ1' ' D' ' 449' ' ' LYS . 22.2 mm-40 -61.7 -49.63 75.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.77 0.319 . . . . 10.0 110.737 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 447' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -70.71 -23.49 62.47 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 116.366 -0.379 . . . . 10.0 110.214 179.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 1.2 t -64.2 -34.81 71.32 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.146 0 N-CA-C 109.125 -0.694 . . . . 10.0 109.125 178.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 449' ' ' LYS . . . . . 0.41 ' HZ1' ' CD ' ' D' ' 446' ' ' GLU . 85.6 mttt -66.31 -33.56 76.01 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 108.797 -0.816 . . . . 10.0 108.797 178.373 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -86.13 -0.96 56.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.057 -0.974 . . . . 10.0 110.619 179.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 33.2 mmtm -105.65 -52.74 2.77 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.065 -0.516 . . . . 10.0 109.899 179.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 90.8 t -58.25 -42.86 84.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.183 -0.462 . . . . 10.0 111.965 -179.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -56.69 -62.19 5.47 Favored Pre-proline 0 C--N 1.327 -0.389 0 N-CA-C 112.737 0.643 . . . . 10.0 112.737 -179.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -66.01 -32.47 44.22 Favored 'Trans proline' 0 C--N 1.353 0.79 0 C-N-CA 122.028 1.819 . . . . 10.0 111.95 179.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -63.3 -47.71 81.16 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 110.156 -0.313 . . . . 10.0 110.156 178.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 23.6 mt -71.11 -31.66 68.04 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 116.396 -0.365 . . . . 10.0 110.304 179.38 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -64.72 -48.73 73.55 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.124 -0.695 . . . . 10.0 109.124 178.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 458' ' ' ASP . . . . . 0.443 ' CG ' ' HZ2' ' D' ' 462' ' ' LYS . 35.3 t70 -68.39 -34.6 76.32 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.688 -0.687 . . . . 10.0 109.873 179.145 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.14 -41.61 85.78 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.618 -0.719 . . . . 10.0 109.43 178.755 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -62.23 -41.31 98.29 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 115.835 -0.62 . . . . 10.0 109.727 178.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 67.3 mttt -61.22 -41.99 97.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.939 -0.573 . . . . 10.0 109.59 178.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 462' ' ' LYS . . . . . 0.443 ' HZ2' ' CG ' ' D' ' 458' ' ' ASP . 3.8 mtmm -68.68 -35.61 77.43 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.829 178.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 30.9 m0 -64.95 -43.06 93.96 Favored 'General case' 0 CA--C 1.52 -0.197 0 N-CA-C 108.642 -0.873 . . . . 10.0 108.642 177.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -62.42 -43.57 98.51 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 115.595 -0.73 . . . . 10.0 109.405 178.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 465' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -56.65 -48.94 76.45 Favored 'General case' 0 CA--C 1.521 -0.172 0 N-CA-C 108.915 -0.772 . . . . 10.0 108.915 178.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.25 -40.54 96.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.765 -0.652 . . . . 10.0 110.718 179.274 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 61.1 mtt -62.53 -47.43 83.94 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 109.779 -0.452 . . . . 10.0 109.779 179.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -64.8 -43.08 94.33 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.707 -0.679 . . . . 10.0 109.803 178.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 469' ' ' LEU . . . . . . . . . . . . . 30.5 mt -61.65 -42.66 99.21 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.492 179.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 -63.79 -29.14 70.38 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.387 -0.37 . . . . 10.0 111.259 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 64.1 mtt85 -77.23 -20.81 54.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.218 0.533 . . . . 10.0 110.169 178.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -105.04 0.88 28.03 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.416 0.627 . . . . 10.0 109.767 179.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 473' ' ' LYS . . . . . . . . . . . . . 4.5 mptt -121.31 -80.7 0.63 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.239 -0.891 . . . . 10.0 110.105 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 8.5 t -53.42 -44.48 55.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.909 -0.587 . . . . 10.0 112.552 -178.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -59.81 -59.2 14.6 Favored Pre-proline 0 CA--C 1.535 0.398 0 N-CA-C 112.246 0.462 . . . . 10.0 112.246 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -63.66 -38.29 41.55 Favored 'Trans proline' 0 C--N 1.355 0.902 0 C-N-CA 121.98 1.787 . . . . 10.0 111.348 178.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 45.6 mt -64.06 -34.3 77.7 Favored 'General case' 0 C--O 1.22 -0.489 0 N-CA-C 109.624 -0.51 . . . . 10.0 109.624 178.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 2.2 mtt-85 -59.23 -35.64 74.03 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.062 -0.718 . . . . 10.0 109.062 178.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -73.55 -47.57 39.76 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.742 -0.663 . . . . 10.0 109.969 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.44 -40.63 97.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.365 -0.379 . . . . 10.0 110.689 179.306 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 90.9 mt -69.61 -33.8 73.19 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.504 -0.554 . . . . 10.0 109.504 178.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -66.6 -41.96 87.63 Favored 'General case' 0 CA--C 1.52 -0.204 0 N-CA-C 108.348 -0.982 . . . . 10.0 108.348 178.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -64.34 -43.62 94.05 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.342 -0.984 . . . . 10.0 108.342 178.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -63.16 -36.69 93.78 Favored Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 115.29 -0.868 . . . . 10.0 111.119 178.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -67.9 -39.74 83.57 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 109.673 -0.491 . . . . 10.0 109.673 178.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 74.0 mtt180 -64.96 -39.98 94.31 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.188 -0.671 . . . . 10.0 109.188 178.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -64.49 -48.71 74.17 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 108.79 -0.818 . . . . 10.0 108.79 178.079 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -59.39 -44.05 92.84 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.455 -0.793 . . . . 10.0 110.06 178.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 15.7 mt -61.78 -43.12 99.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.453 . . . . 10.0 109.802 178.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 6.5 t-160 -63.19 -47.99 80.24 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.862 -0.792 . . . . 10.0 108.862 179.021 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -55.1 -45.13 75.44 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.69 -0.686 . . . . 10.0 110.076 178.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 83.9 mt -68.03 -50.32 56.11 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.945 -0.57 . . . . 10.0 111.345 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -56.04 -40.49 73.58 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 112.409 0.522 . . . . 10.0 112.409 -179.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -68.24 -8.91 43.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.91 0.386 . . . . 10.0 111.442 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 495' ' ' LYS . . . . . . . . . . . . . 25.7 mttp -112.4 -25.91 8.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.082 0.468 . . . . 10.0 110.001 178.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 95.8 mt -70.12 -35.33 74.02 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.222 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 497' ' ' SER . . . . . . . . . . . . . 16.0 m -69.48 -59.63 4.68 Favored Pre-proline 0 CA--C 1.541 0.625 0 N-CA-C 112.163 0.431 . . . . 10.0 112.163 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 498' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -69.28 -60.17 0.08 OUTLIER 'Trans proline' 0 C--N 1.353 0.79 0 C-N-CA 121.814 1.676 . . . . 10.0 112.91 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 499' ' ' LEU . . . . . . . . . . . . . 56.4 mt -65.02 -34.9 79.55 Favored 'General case' 0 C--O 1.223 -0.296 0 N-CA-C 112.344 0.498 . . . . 10.0 112.344 -178.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -61.95 -44.44 97.81 Favored Glycine 0 N--CA 1.45 -0.371 0 N-CA-C 110.582 -1.007 . . . . 10.0 110.582 179.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -73.75 -34.79 64.89 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 109.513 -0.551 . . . . 10.0 109.513 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 502' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -63.79 -43.93 94.86 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.381 -0.6 . . . . 10.0 109.381 178.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 86.4 mmm -62.14 -36.25 81.23 Favored 'General case' 0 CA--C 1.516 -0.363 0 N-CA-C 108.975 -0.75 . . . . 10.0 108.975 178.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 -64.21 -45.91 86.2 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 108.818 -0.808 . . . . 10.0 108.818 177.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -60.38 -39.21 86.45 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.13 0.491 . . . . 10.0 109.819 178.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 506' ' ' ARG . . . . . . . . . . . . . 46.9 mtt180 -62.38 -50.06 73.06 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 108.387 -0.968 . . . . 10.0 108.387 178.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -58.46 -41.93 86.3 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.113 -0.949 . . . . 10.0 110.44 179.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 508' ' ' ARG . . . . . . . . . . . . . 80.1 mtt180 -60.18 -44.48 95.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.119 -0.492 . . . . 10.0 109.843 178.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -66.44 -34.19 77.39 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.713 179.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 28.7 m-70 -72.65 -43.64 62.92 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.086 -0.506 . . . . 10.0 110.0 178.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 37.4 t -65.04 -40.66 89.76 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 N-CA-C 108.951 -0.759 . . . . 10.0 108.951 178.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -60.98 -42.04 97.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.362 -0.835 . . . . 10.0 109.459 178.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -63.41 -46.3 87.02 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 109.042 -0.725 . . . . 10.0 109.042 178.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 514' ' ' LEU . . . . . . . . . . . . . 90.3 mt -59.25 -26.28 64.77 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.182 -0.463 . . . . 10.0 111.512 179.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 515' ' ' ARG . . . . . . . . . . . . . 86.6 mtt180 -69.19 -27.39 65.46 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 109.549 -0.538 . . . . 10.0 109.549 178.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 1.3 m -107.92 2.08 23.1 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.368 0.604 . . . . 10.0 110.265 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 28.9 m170 -113.69 -61.93 1.67 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.184 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 61.5 mt -74.07 -46.97 39.73 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.236 0.458 . . . . 10.0 112.236 -178.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 519' ' ' ALA . . . . . . . . . . . . . . . -55.61 -57.66 19.86 Favored Pre-proline 0 C--N 1.327 -0.393 0 N-CA-C 112.866 0.691 . . . . 10.0 112.866 -179.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 520' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -61.97 -38.14 60.03 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 122.01 1.807 . . . . 10.0 111.354 179.232 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -66.37 -30.14 70.47 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-O 120.817 0.342 . . . . 10.0 110.623 179.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 69.0 m -67.36 -34.24 76.9 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 108.746 -0.835 . . . . 10.0 108.746 178.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -70.54 -37.74 74.11 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 109.046 -0.724 . . . . 10.0 109.046 178.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.18 -42.85 99.44 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 108.224 -1.028 . . . . 10.0 108.224 177.214 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 49.2 mt -63.91 -32.98 74.7 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 115.266 -0.879 . . . . 10.0 110.013 178.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 526' ' ' ARG . . . . . . . . . . . . . 65.4 mtt180 -65.58 -42.22 92.0 Favored 'General case' 0 C--N 1.334 -0.087 0 N-CA-C 109.541 -0.541 . . . . 10.0 109.541 178.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -62.38 -43.34 99.05 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 109.008 -0.738 . . . . 10.0 109.008 178.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 528' ' ' ARG . . . . . . . . . . . . . 66.5 mtt180 -69.01 -37.14 78.5 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.991 -1.004 . . . . 10.0 110.417 179.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 1.7 mt -61.62 -42.71 99.26 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.367 -0.605 . . . . 10.0 109.367 178.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -60.29 -48.1 83.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.862 -0.608 . . . . 10.0 110.646 179.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -65.55 -46.42 79.6 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 116.024 -0.535 . . . . 10.0 110.367 179.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 5.2 ttm180 -58.79 -48.14 82.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.874 -0.603 . . . . 10.0 109.392 179.088 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 47.3 mt -61.64 -39.1 90.1 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.629 179.184 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -60.04 -43.71 95.15 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.945 -0.391 . . . . 10.0 109.945 178.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -64.83 -40.24 94.86 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.728 -0.669 . . . . 10.0 109.513 178.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 52.0 mt -68.68 -35.82 77.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.857 -0.61 . . . . 10.0 110.654 179.379 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 42.2 mtmt -71.11 -39.39 72.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.122 0.487 . . . . 10.0 109.834 179.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -66.45 -49.28 67.23 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.732 -0.667 . . . . 10.0 109.608 179.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -67.18 -43.7 81.52 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.443 -0.798 . . . . 10.0 110.492 179.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -64.23 -40.27 97.82 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 111.452 -0.659 . . . . 10.0 111.452 179.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -66.11 -38.23 93.77 Favored Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 110.987 -0.845 . . . . 10.0 110.987 178.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -69.93 -48.93 56.58 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 108.693 -0.854 . . . . 10.0 108.693 178.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 53.2 mtt180 -60.8 -25.22 66.4 Favored 'General case' 0 C--O 1.217 -0.634 0 CA-C-N 115.6 -0.727 . . . . 10.0 110.591 179.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 5.9 mt -65.0 -47.7 76.58 Favored 'General case' 0 CA--C 1.518 -0.267 0 N-CA-C 109.676 -0.49 . . . . 10.0 109.676 178.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -69.1 -39.27 79.07 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.875 -0.602 . . . . 10.0 109.47 178.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -62.45 -51.9 65.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.426 -0.807 . . . . 10.0 110.002 179.04 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 14.6 m-30 -61.88 -38.07 86.93 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.549 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 3.6 m170 -63.95 -45.47 88.98 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.043 0.449 . . . . 10.0 110.107 179.091 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -61.25 -48.55 80.92 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.542 -0.54 . . . . 10.0 109.542 178.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.81 -38.3 90.15 Favored 'General case' 0 C--O 1.219 -0.54 0 CA-C-N 115.713 -0.676 . . . . 10.0 110.695 179.427 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -64.38 -40.79 96.51 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 110.086 -0.339 . . . . 10.0 110.086 179.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 21.4 m -65.78 -44.19 86.54 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.042 -0.725 . . . . 10.0 109.042 178.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -65.08 -45.35 85.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.719 -0.673 . . . . 10.0 110.416 179.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 24.3 t60 -61.58 -34.67 76.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.117 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 15.1 tp -71.39 -38.41 71.5 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 116.275 -0.42 . . . . 10.0 110.551 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -42.91 96.68 Favored 'General case' 0 C--O 1.225 -0.185 0 C-N-CA 120.976 -0.29 . . . . 10.0 110.339 178.798 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.52 -33.4 75.0 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 109.623 -0.51 . . . . 10.0 109.623 178.54 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 16.0 mt -62.57 -46.29 89.03 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.713 -0.676 . . . . 10.0 109.933 178.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.06 -35.73 61.84 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.727 0.298 . . . . 10.0 110.624 179.753 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -60.15 -28.47 67.93 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.128 178.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -97.04 -39.1 9.5 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.806 -0.634 . . . . 10.0 110.904 179.08 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -61.36 -43.99 97.93 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 112.414 0.524 . . . . 10.0 112.414 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -54.41 -62.1 4.53 Favored Pre-proline 0 CA--C 1.536 0.437 0 N-CA-C 112.238 0.458 . . . . 10.0 112.238 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.22 -31.53 44.23 Favored 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 121.983 1.789 . . . . 10.0 111.861 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -65.69 -47.37 75.64 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 109.895 -0.409 . . . . 10.0 109.895 178.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 28.1 mt -59.95 -48.79 80.24 Favored 'General case' 0 CA--C 1.516 -0.355 0 N-CA-C 109.224 -0.658 . . . . 10.0 109.224 178.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -58.45 -53.17 61.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.84 -0.618 . . . . 10.0 110.9 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.55 -45.6 93.46 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.091 -0.504 . . . . 10.0 111.797 -179.543 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 26.9 mt -63.6 -38.64 91.9 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.809 -0.178 . . . . 10.0 111.02 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -66.39 -45.77 78.93 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.625 -0.509 . . . . 10.0 109.625 178.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -67.68 -20.82 65.34 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.968 -0.56 . . . . 10.0 111.063 179.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -88.47 -42.1 5.91 Favored Glycine 0 N--CA 1.443 -0.839 0 N-CA-C 110.668 -0.973 . . . . 10.0 110.668 178.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 19.8 mt -64.11 -28.12 69.55 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 122.276 0.231 . . . . 10.0 111.033 179.402 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 34.5 mt -54.6 -64.24 2.14 Favored Pre-proline 0 CA--C 1.536 0.417 0 O-C-N 123.111 0.257 . . . . 10.0 111.579 179.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -70.83 -30.06 17.88 Favored 'Trans proline' 0 C--N 1.355 0.883 0 C-N-CA 121.692 1.595 . . . . 10.0 111.612 179.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 16.8 t -63.99 -48.33 86.49 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-N 116.833 -0.167 . . . . 10.0 110.66 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 36.5 mt -63.37 -39.33 94.23 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 110.264 -0.273 . . . . 10.0 110.264 179.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -64.51 -43.41 94.16 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 109.647 -0.501 . . . . 10.0 109.647 178.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 69.3 m -61.94 -42.02 98.63 Favored 'General case' 0 CA--C 1.528 0.134 0 N-CA-C 109.42 -0.585 . . . . 10.0 109.42 178.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -63.51 -43.42 97.27 Favored 'General case' 0 C--N 1.334 -0.066 0 CA-C-N 115.593 -0.73 . . . . 10.0 110.616 179.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -58.48 -42.58 87.84 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.681 -0.488 . . . . 10.0 109.681 178.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 69.4 t -61.46 -48.75 87.39 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-N 115.824 -0.626 . . . . 10.0 110.173 178.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 13.8 p -63.25 -41.01 99.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.374 -0.376 . . . . 10.0 111.292 179.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -66.88 -45.04 79.31 Favored 'General case' 0 CA--C 1.523 -0.065 0 CA-C-N 116.493 -0.321 . . . . 10.0 111.013 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 34.3 mt -59.7 -46.08 90.15 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.867 0.365 . . . . 10.0 110.361 179.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 11.3 m -66.86 -32.25 73.4 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.843 179.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -72.16 -51.89 19.17 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.821 0.344 . . . . 10.0 110.776 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 82.1 mt -64.06 -41.42 97.38 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.261 -179.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -58.7 -47.67 83.77 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.055 -0.521 . . . . 10.0 111.089 -179.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -72.37 -31.57 65.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.978 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 1.8 m-30 -62.6 -43.95 97.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.517 -0.31 . . . . 10.0 110.878 179.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 4.1 m -66.86 -19.73 65.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.334 -0.394 . . . . 10.0 110.788 179.175 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -82.87 -43.88 16.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.128 179.111 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -73.73 -43.85 57.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.038 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 23.9 mt -89.81 49.35 1.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.395 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 . . . . . 0 C--N 1.32 -0.697 0 CA-C-N 116.053 -0.521 . . . . 10.0 111.07 -179.532 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 19.7 m . . . . . 0 N--CA 1.451 -0.407 0 CA-C-O 120.942 0.401 . . . . 10.0 110.847 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.22 126.16 49.13 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.001 179.756 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -92.99 142.24 27.51 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.753 0.311 . . . . 10.0 110.387 -179.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -135.6 106.61 6.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.047 179.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -80.53 118.73 22.39 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.075 179.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 mt -123.72 140.27 53.16 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.196 -0.456 . . . . 10.0 111.166 -178.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 21.5 t -119.8 138.04 51.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.147 -0.478 . . . . 10.0 110.422 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 6.1 t -102.09 105.71 18.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.409 -0.359 . . . . 10.0 110.091 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 18.2 m -105.66 150.75 8.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.302 -0.408 . . . . 10.0 111.375 -179.345 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 153.15 171.55 20.55 Favored Glycine 0 N--CA 1.446 -0.69 0 CA-C-N 115.563 -0.744 . . . . 10.0 111.41 -179.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.9 -178.01 4.68 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.115 0.483 . . . . 10.0 110.964 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -86.42 156.81 20.01 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.867 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 72.61 8.9 73.13 Favored Glycine 0 CA--C 1.517 0.187 0 CA-C-N 116.077 -0.51 . . . . 10.0 114.236 179.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 31.4 m -87.37 -28.97 5.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 117.288 0.544 . . . . 10.0 111.942 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.68 34.39 3.07 Favored Glycine 0 CA--C 1.518 0.224 0 C-N-CA 120.564 -0.827 . . . . 10.0 113.366 179.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 42.2 mtmt -63.56 -44.35 94.38 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 122.765 -0.256 . . . . 10.0 111.624 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.1 -23.63 59.35 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.292 -0.413 . . . . 10.0 111.83 -178.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.03 -43.6 98.26 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 110.057 -0.349 . . . . 10.0 110.057 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 58.3 mt -65.64 -38.99 90.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.048 -0.524 . . . . 10.0 110.476 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.87 -46.71 67.73 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.742 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 71.6 mt -64.21 -37.8 80.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.81 179.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -64.83 -32.49 74.21 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.152 0.501 . . . . 10.0 110.707 179.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 17.7 tp -83.77 -40.19 19.1 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.457 -0.338 . . . . 10.0 111.81 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 38.4 mm -83.12 -65.04 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 112.695 0.628 . . . . 10.0 112.695 -178.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -78.25 -19.81 52.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.443 -0.344 . . . . 10.0 111.613 -178.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 71.01 38.06 1.16 Allowed 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 113.347 0.869 . . . . 10.0 113.347 178.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -155.93 177.31 11.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.529 -0.305 . . . . 10.0 110.947 178.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -120.81 130.17 53.87 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.078 0.466 . . . . 10.0 111.395 -179.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 17.4 m -92.14 150.58 3.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.857 -0.611 . . . . 10.0 110.138 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -101.67 -31.05 10.99 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.024 -0.534 . . . . 10.0 110.667 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -75.58 133.2 41.0 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.574 -0.739 . . . . 10.0 111.52 -179.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -76.11 130.59 38.54 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.163 -0.681 . . . . 10.0 109.163 178.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -134.41 109.72 11.37 Favored Pre-proline 0 C--N 1.321 -0.668 0 CA-C-O 120.838 0.351 . . . . 10.0 111.498 -179.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -64.33 99.58 0.3 Allowed 'Trans proline' 0 CA--C 1.53 0.309 0 C-N-CA 122.961 2.441 . . . . 10.0 111.599 179.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 3.1 m -71.35 115.14 10.17 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.165 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 44.2 mm -76.62 -51.44 19.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 108.521 -0.918 . . . . 10.0 108.521 178.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -179.77 103.85 0.03 OUTLIER 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 115.064 -0.971 . . . . 10.0 109.902 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -135.52 139.15 43.75 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.98 -0.288 . . . . 10.0 111.467 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 3.2 m -102.18 148.55 25.29 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.244 -0.435 . . . . 10.0 111.131 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -131.32 124.32 30.16 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.9 -0.591 . . . . 10.0 110.048 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -114.87 117.94 32.1 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.126 -0.488 . . . . 10.0 111.897 -179.064 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 35.4 tttp -134.78 133.79 40.22 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.81 -0.632 . . . . 10.0 109.939 179.31 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -101.39 112.84 25.49 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.113 -0.494 . . . . 10.0 109.904 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 3.5 m -126.21 165.66 23.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.41 -0.359 . . . . 10.0 111.312 -179.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 14.6 t -102.92 84.86 0.89 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.346 0 CA-C-O 121.367 0.603 . . . . 10.0 110.49 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 58.8 mt -89.86 121.81 40.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.611 -179.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 64.23 13.92 8.27 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.574 -0.739 . . . . 10.0 111.624 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.3 7.82 58.0 Favored Glycine 0 N--CA 1.454 -0.164 0 C-N-CA 120.752 -0.737 . . . . 10.0 112.554 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -116.13 144.83 43.63 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.674 0.274 . . . . 10.0 110.384 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 3.2 m -77.51 106.73 9.48 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.274 -0.639 . . . . 10.0 109.274 178.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 15.9 m -109.64 125.58 52.74 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.892 0.377 . . . . 10.0 111.834 -178.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 52.2 tp -94.23 107.34 19.28 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.587 -0.894 . . . . 10.0 108.587 178.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 34.5 mt -82.06 115.59 21.27 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.944 -0.571 . . . . 10.0 112.414 -177.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -105.52 79.67 1.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.193 -1.41 . . . . 10.0 107.193 177.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 39.0 mt -91.66 145.85 6.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.878 -0.601 . . . . 10.0 111.721 -177.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 23.1 tp -136.5 117.65 14.45 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.048 179.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -97.45 112.78 24.48 Favored 'General case' 0 C--O 1.233 0.223 0 N-CA-C 108.952 -0.758 . . . . 10.0 108.952 178.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.24 161.93 13.85 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.505 -0.316 . . . . 10.0 111.309 -179.537 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.5 129.53 41.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.134 -0.484 . . . . 10.0 111.752 -179.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -105.1 41.74 2.08 Favored Glycine 0 N--CA 1.447 -0.589 0 N-CA-C 111.161 -0.776 . . . . 10.0 111.161 179.083 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -107.54 18.67 21.21 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.639 0.257 . . . . 10.0 110.793 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 62.68 -160.66 0.3 Allowed 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.806 -0.634 . . . . 10.0 112.24 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 66.35 15.71 10.19 Favored 'General case' 0 C--O 1.225 -0.196 0 CA-C-N 115.853 -0.612 . . . . 10.0 111.239 -179.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 9.0 m-30 -118.38 75.42 1.01 Allowed 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.205 -0.665 . . . . 10.0 109.205 179.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 1.6 p -78.43 -67.26 0.76 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.362 -0.381 . . . . 10.0 111.092 -179.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.31 -29.85 42.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.945 -0.571 . . . . 10.0 111.408 -179.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 89.6 mtp -64.69 -31.51 72.76 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.909 0.385 . . . . 10.0 110.925 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -78.95 -25.96 43.57 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 121.175 0.512 . . . . 10.0 110.296 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.02 -8.05 41.31 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.907 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -86.1 -63.9 1.24 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.242 0.46 . . . . 10.0 112.242 -179.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 5.4 p90 -67.07 -16.65 64.47 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 113.126 0.787 . . . . 10.0 113.126 -179.189 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 33.0 mtt -69.71 -19.35 63.56 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.294 0.569 . . . . 10.0 110.048 178.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 59.4 mtt180 -81.49 -48.75 11.44 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.594 -0.73 . . . . 10.0 109.536 178.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.99 -40.34 75.35 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.317 -0.856 . . . . 10.0 112.124 -179.397 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -58.36 121.08 24.99 Favored Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 116.046 -0.525 . . . . 10.0 112.751 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -88.45 -40.34 13.55 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-O 120.635 0.255 . . . . 10.0 110.521 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -119.52 131.16 8.84 Favored Glycine 0 N--CA 1.446 -0.687 0 N-CA-C 111.374 -0.69 . . . . 10.0 111.374 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -111.05 129.48 55.9 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.069 0.462 . . . . 10.0 111.505 -179.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 57.0 tp -101.84 117.38 34.73 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.014 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 27.1 m -88.07 99.39 12.14 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.182 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 30.2 t -101.59 118.72 48.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.138 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 47.1 p90 -125.18 160.76 28.41 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.882 179.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -99.98 144.09 29.43 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.951 -0.568 . . . . 10.0 109.963 179.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 28.7 pt -85.58 -10.86 11.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.809 0.338 . . . . 10.0 111.28 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 27.0 p-10 -99.6 -28.81 13.03 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.272 -0.422 . . . . 10.0 111.964 -179.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 35.7 t-20 -108.56 113.48 26.52 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.002 0.43 . . . . 10.0 111.12 -178.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.81 -26.51 64.28 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.867 -0.606 . . . . 10.0 111.929 -179.629 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -59.86 -43.15 94.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.656 0.265 . . . . 10.0 110.889 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.21 -26.8 66.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.132 -0.485 . . . . 10.0 111.434 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -75.61 -44.94 40.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.071 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -72.45 -22.14 61.13 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.381 -0.372 . . . . 10.0 111.351 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.24 -18.04 61.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 10.0 111.732 -179.459 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 45.4 mm -59.89 -37.2 70.92 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 N-CA-C 109.598 -0.519 . . . . 10.0 109.598 179.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -63.0 -46.89 85.51 Favored 'General case' 0 C--O 1.231 0.084 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.035 179.122 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 39.9 m-70 -62.5 -41.9 99.14 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.012 -0.54 . . . . 10.0 110.837 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -63.5 -47.58 81.15 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.32 178.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 31.5 ttt-85 -59.53 -40.03 85.83 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 116.046 -0.525 . . . . 10.0 111.025 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -61.6 -44.97 96.01 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.408 -0.36 . . . . 10.0 111.314 179.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -65.48 -44.05 88.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.535 -0.302 . . . . 10.0 110.721 179.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 96.6 mt -55.34 -49.01 76.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-O 121.164 0.507 . . . . 10.0 110.459 179.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 7.8 mtmt -66.03 -24.44 66.75 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.657 -0.702 . . . . 10.0 111.934 -179.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 6.1 tmm_? -82.43 -41.81 19.37 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.676 -0.49 . . . . 10.0 109.676 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 71.2 t -64.65 -48.68 83.74 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 CA-C-N 115.818 -0.628 . . . . 10.0 111.282 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 22.2 mtpp -83.19 -2.87 56.6 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.187 -0.461 . . . . 10.0 111.189 -179.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 11.9 t70 50.12 49.22 20.84 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 121.455 0.645 . . . . 10.0 111.378 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 2.5 t -166.7 144.81 5.18 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.657 -0.701 . . . . 10.0 109.636 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -86.65 -34.93 19.63 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.866 0.365 . . . . 10.0 110.79 -179.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.91 98.06 6.25 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.203 0.525 . . . . 10.0 110.674 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 60.7 t -129.11 135.08 27.06 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 115.506 -0.77 . . . . 10.0 109.785 -179.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -64.42 105.68 0.63 Allowed 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.588 2.192 . . . . 10.0 111.54 179.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 67.1 mtm -139.25 153.68 47.86 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.199 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 99.3 t -133.1 136.78 54.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.999 -0.371 . . . . 10.0 109.999 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 15.5 tp -93.05 113.86 26.24 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.406 -0.59 . . . . 10.0 109.406 179.621 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 51.4 t -120.07 122.94 69.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.068 0.461 . . . . 10.0 111.763 -178.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -107.64 116.57 4.92 Favored Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 110.315 -1.114 . . . . 10.0 110.315 178.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -94.69 167.0 11.73 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.923 0.361 . . . . 10.0 111.324 -179.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 51.1 mttt 67.88 29.69 6.52 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 123.61 0.764 . . . . 10.0 112.655 179.201 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 70.8 m -66.19 -11.72 51.51 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.62 0.6 . . . . 10.0 112.62 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -90.23 -10.25 45.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.882 0.372 . . . . 10.0 110.933 179.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 29.7 mt -80.36 138.53 51.89 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 116.459 -0.337 . . . . 10.0 110.626 179.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -74.69 150.95 40.55 Favored 'Trans proline' 0 C--O 1.238 0.491 0 C-N-CA 122.474 2.116 . . . . 10.0 112.534 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 2.5 m 62.52 81.69 0.19 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.66 -0.7 . . . . 10.0 112.187 179.297 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 123' ' ' ARG . . . . . 0.434 HH12 ' CD ' ' B' ' 143' ' ' GLU . 15.8 ptt180 -105.85 139.35 40.55 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 122.287 -0.258 . . . . 10.0 111.259 178.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 7.4 m -66.81 -63.41 1.07 Allowed 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.229 0.455 . . . . 10.0 112.229 -179.078 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 73.2 t -76.41 117.7 21.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.908 0.385 . . . . 10.0 110.711 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -76.91 151.16 35.88 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.682 -0.69 . . . . 10.0 109.288 179.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 1.7 m -53.01 -42.54 65.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.505 -0.316 . . . . 10.0 111.675 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -68.47 -23.28 64.56 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.856 0.36 . . . . 10.0 111.963 -179.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -76.24 -44.56 36.91 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.713 -0.476 . . . . 10.0 109.713 179.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -69.42 -44.13 71.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.691 -0.686 . . . . 10.0 110.844 179.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -63.03 -36.73 84.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.867 -0.606 . . . . 10.0 111.314 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -63.93 -36.05 82.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.181 0.515 . . . . 10.0 110.968 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 13.3 tp -78.99 -38.21 37.32 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.253 -0.431 . . . . 10.0 110.566 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.78 -44.39 96.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.994 -0.548 . . . . 10.0 111.139 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 5.8 ppt_? -64.17 -23.68 67.41 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.373 -0.376 . . . . 10.0 111.951 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.68 -27.71 50.89 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.097 0.475 . . . . 10.0 109.839 179.371 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 21.1 m-30 -83.48 -36.4 24.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.037 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 101.21 17.15 23.27 Favored Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 111.026 -0.829 . . . . 10.0 111.026 -178.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 47.1 pt -116.78 150.33 45.57 Favored Pre-proline 0 C--N 1.326 -0.443 0 N-CA-C 110.185 -0.302 . . . . 10.0 110.185 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -80.38 144.2 16.0 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 122.371 2.048 . . . . 10.0 113.187 -179.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -106.34 142.14 36.51 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.33 -0.85 . . . . 10.0 109.372 179.046 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 37.0 mt -130.17 132.18 65.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-O 120.977 0.418 . . . . 10.0 111.941 -179.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 143' ' ' GLU . . . . . 0.434 ' CD ' HH12 ' B' ' 123' ' ' ARG . 3.7 mm-40 -85.48 122.5 29.71 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 107.658 -1.238 . . . . 10.0 107.658 177.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 24.5 p -133.48 166.19 23.12 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.799 1.037 . . . . 10.0 113.799 -177.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 10.5 t -155.32 103.41 2.34 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.51 -1.223 . . . . 10.0 108.159 178.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -64.57 -23.76 67.37 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.318 0.58 . . . . 10.0 110.567 -179.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 44.4 tttt -67.67 -31.36 71.28 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.086 -0.961 . . . . 10.0 111.735 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 65.8 p -120.02 2.56 10.98 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.836 0.31 . . . . 10.0 111.836 -178.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 45.0 ttm-85 61.94 34.73 16.65 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 121.662 0.744 . . . . 10.0 110.925 -178.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -80.36 105.46 11.63 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.984 -179.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 66.74 5.79 33.04 Favored Glycine 0 CA--C 1.519 0.339 0 CA-C-N 115.855 -0.611 . . . . 10.0 114.476 177.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 62.6 t -58.74 -47.56 88.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 117.291 0.545 . . . . 10.0 111.05 -179.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -64.5 -44.37 91.17 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.824 -0.625 . . . . 10.0 111.2 -179.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -65.11 -26.97 68.43 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.026 0.441 . . . . 10.0 110.985 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -66.02 -40.14 90.81 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.435 -0.58 . . . . 10.0 109.435 178.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -71.07 -33.99 70.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.833 -0.621 . . . . 10.0 109.865 178.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 4.2 m-30 -68.32 -44.92 74.29 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.75 -0.659 . . . . 10.0 109.945 179.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 50.5 m -61.92 -33.87 75.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.837 -0.62 . . . . 10.0 111.068 179.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 14.3 tp -59.06 -43.93 91.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.105 0.479 . . . . 10.0 109.726 179.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 39.6 t -74.53 -35.92 39.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.765 -0.652 . . . . 10.0 110.132 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -56.72 -40.16 75.19 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.562 -0.745 . . . . 10.0 110.377 179.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -67.54 -30.41 70.05 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.778 -0.646 . . . . 10.0 111.778 179.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 65.2 mt -67.64 -43.76 86.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 110.077 -0.342 . . . . 10.0 110.077 179.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 22.7 mtt85 -64.64 -36.16 83.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 10.0 109.903 178.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 29.1 ttmt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 115.751 -0.659 . . . . 10.0 109.858 179.291 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 12.9 m . . . . . 0 C--O 1.233 0.203 0 CA-C-O 120.887 0.375 . . . . 10.0 111.031 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.22 134.98 46.98 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.191 -0.458 . . . . 10.0 110.057 179.654 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -100.63 138.64 37.41 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.899 -0.408 . . . . 10.0 109.899 179.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -129.09 118.14 22.0 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.197 -0.456 . . . . 10.0 109.83 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 41.2 mttm -83.51 112.7 20.21 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 116.163 -0.471 . . . . 10.0 111.205 -179.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 14.2 mt -111.57 117.32 32.65 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.44 -0.8 . . . . 10.0 110.943 -178.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 49.7 t -106.23 120.27 56.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.365 -0.38 . . . . 10.0 110.112 179.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 3.1 t -88.42 116.45 30.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.356 -0.384 . . . . 10.0 110.078 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 19.9 m -118.96 162.34 17.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.006 0.432 . . . . 10.0 112.03 -179.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 152.1 -161.61 29.43 Favored Glycine 0 N--CA 1.447 -0.598 0 N-CA-C 110.598 -1.001 . . . . 10.0 110.598 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -90.77 -165.68 1.41 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.694 0.247 . . . . 10.0 110.352 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.57 144.97 25.58 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.989 0.423 . . . . 10.0 110.849 179.714 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 69.72 18.2 73.82 Favored Glycine 0 N--CA 1.451 -0.357 0 CA-C-N 115.898 -0.592 . . . . 10.0 113.598 178.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 17.1 m -82.88 -22.63 8.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 120.991 0.424 . . . . 10.0 111.186 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 108.9 21.83 7.25 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.682 -0.771 . . . . 10.0 113.532 179.079 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 2.0 mtmp? -61.48 -33.63 74.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.06 0.457 . . . . 10.0 110.917 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 1.9 m -79.78 -47.36 15.34 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.977 -0.556 . . . . 10.0 109.952 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.05 -47.53 80.73 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.002 -0.545 . . . . 10.0 111.523 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 37.4 mt -59.42 -51.33 70.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.391 -0.368 . . . . 10.0 111.314 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 4.4 m -65.05 -41.51 95.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.421 -0.354 . . . . 10.0 111.894 -179.21 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 79.0 mt -64.07 -30.71 50.79 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 CA-C-O 120.665 0.269 . . . . 10.0 110.564 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -67.02 -19.74 65.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.626 179.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 11.9 tp -97.39 -35.73 10.59 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.244 0.545 . . . . 10.0 111.092 179.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 48.0 mm -79.34 -63.03 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.687 -0.688 . . . . 10.0 111.537 -179.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -90.8 -8.86 48.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.098 0.475 . . . . 10.0 111.575 -179.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 62.11 31.64 17.71 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 114.103 1.149 . . . . 10.0 114.103 178.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 10.3 p80 -143.18 159.58 42.04 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 121.118 -0.233 . . . . 10.0 110.519 178.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -98.41 128.68 44.9 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 112.091 0.404 . . . . 10.0 112.091 -178.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 4.1 m -97.29 129.99 46.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.536 -0.756 . . . . 10.0 109.745 178.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -93.35 -22.94 18.65 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.808 0.337 . . . . 10.0 111.837 -179.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -83.34 138.96 33.31 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.094 0.473 . . . . 10.0 111.088 -179.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -86.45 115.75 24.16 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.678 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -118.94 105.79 44.63 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 116.486 -0.325 . . . . 10.0 110.294 179.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -51.56 112.23 0.77 Allowed 'Trans proline' 0 C--O 1.234 0.292 0 C-N-CA 123.162 2.575 . . . . 10.0 111.911 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 11.2 m -81.48 112.92 19.17 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.519 -0.764 . . . . 10.0 111.093 -179.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 36.1 mm -85.0 -42.92 16.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.828 -0.624 . . . . 10.0 109.602 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -175.23 86.4 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.265 -0.88 . . . . 10.0 109.014 179.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.12 134.91 44.62 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.838 -0.619 . . . . 10.0 111.202 -178.633 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 1.5 m -117.3 136.14 53.32 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.364 -0.38 . . . . 10.0 110.809 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -131.37 134.93 46.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.633 -0.258 . . . . 10.0 111.035 -179.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -125.75 127.87 46.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.47 -0.332 . . . . 10.0 111.188 179.281 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 40.7 tttp -145.69 157.64 43.93 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.523 -0.547 . . . . 10.0 109.523 -179.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -124.96 123.03 39.02 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.856 -0.424 . . . . 10.0 109.856 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 3.7 m -133.46 171.63 17.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.841 0.353 . . . . 10.0 111.906 -179.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 33.1 t -108.67 85.64 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.054 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 53.4 mt -88.62 111.53 22.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.971 -179.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 63.28 19.41 11.66 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 115.631 -0.713 . . . . 10.0 111.648 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.3 -16.21 55.52 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.827 -0.701 . . . . 10.0 111.817 -179.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -88.31 122.96 32.42 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.004 0.431 . . . . 10.0 111.214 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 3.0 m -77.65 113.58 15.64 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 107.783 -1.192 . . . . 10.0 107.783 178.108 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -126.61 152.23 46.94 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 113.342 0.867 . . . . 10.0 113.342 -177.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 52.9 tp -102.77 118.17 36.25 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 114.763 -1.108 . . . . 10.0 108.5 178.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 46.7 mt -87.17 116.04 24.98 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.039 -0.528 . . . . 10.0 112.104 -178.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -100.75 80.43 2.17 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 107.81 -1.182 . . . . 10.0 107.81 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 22.3 mt -90.46 141.71 13.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.872 -0.604 . . . . 10.0 112.17 -177.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 16.1 tp -136.51 119.27 16.15 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 115.606 -0.725 . . . . 10.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -99.03 116.72 31.9 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.498 -0.927 . . . . 10.0 108.498 178.143 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -105.58 171.34 7.38 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.363 -0.381 . . . . 10.0 111.778 -179.571 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.59 128.56 35.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.037 -0.528 . . . . 10.0 111.344 -179.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -105.81 25.3 24.53 Favored Glycine 0 N--CA 1.449 -0.475 0 CA-C-N 115.706 -0.679 . . . . 10.0 112.117 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -93.86 19.25 9.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.661 0.267 . . . . 10.0 111.302 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 59.05 -157.19 0.33 Allowed 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 115.864 -0.607 . . . . 10.0 112.098 179.761 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 73.86 -50.85 0.69 Allowed 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 123.369 0.668 . . . . 10.0 112.785 179.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -70.21 96.07 1.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.132 0.419 . . . . 10.0 112.132 -179.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.5 -55.82 3.5 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.768 -0.651 . . . . 10.0 110.898 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.21 -38.34 90.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.461 -179.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 28.4 ttm -62.72 -41.8 99.34 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.636 179.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 68' ' ' ARG . . . . . . . . . . . . . 5.6 ttp180 -65.18 -41.13 94.9 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.826 -0.624 . . . . 10.0 109.857 179.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -61.97 -34.67 76.56 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.027 -0.988 . . . . 10.0 111.534 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -65.18 -60.24 3.23 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 113.212 0.819 . . . . 10.0 113.212 -178.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 71' ' ' TYR . . . . . . . . . . . . . 31.1 p90 -68.34 -15.46 63.57 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 113.956 1.095 . . . . 10.0 113.956 -177.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 40.2 mtt -67.97 -22.26 65.04 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.169 0.509 . . . . 10.0 111.039 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 23.2 mtt180 -81.12 -30.68 34.5 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.013 0.435 . . . . 10.0 110.414 179.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 10.6 m -81.12 -48.81 11.64 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.62 -0.718 . . . . 10.0 111.448 -179.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.32 135.06 50.15 Favored Glycine 0 C--N 1.33 0.247 0 CA-C-N 115.827 -0.624 . . . . 10.0 113.109 -179.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -101.47 -42.24 6.33 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.669 -0.493 . . . . 10.0 109.669 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -112.28 128.62 8.61 Favored Glycine 0 N--CA 1.445 -0.753 0 N-CA-C 110.581 -1.007 . . . . 10.0 110.581 179.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 78' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -111.87 117.7 33.49 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.345 0.593 . . . . 10.0 111.969 -178.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 14.6 tp -91.74 104.76 17.18 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.591 -0.732 . . . . 10.0 109.434 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 23.5 m -85.12 94.95 8.98 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.703 -0.48 . . . . 10.0 109.703 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 58.7 t -102.39 131.38 50.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.021 -0.536 . . . . 10.0 111.285 -178.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -134.7 175.28 9.69 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.767 -0.651 . . . . 10.0 109.855 179.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -115.12 128.45 56.22 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.636 -0.505 . . . . 10.0 109.636 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 84' ' ' ILE . . . . . . . . . . . . . 37.1 pt -70.97 -8.5 11.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 112.995 0.739 . . . . 10.0 112.995 -178.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 26.4 p-10 -96.29 2.7 53.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.653 0.263 . . . . 10.0 111.095 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -146.33 106.08 3.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.931 0.396 . . . . 10.0 110.916 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 1.3 m -59.58 -29.28 67.84 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.915 -0.584 . . . . 10.0 112.027 -178.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -56.99 -36.14 70.02 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.405 -0.361 . . . . 10.0 111.161 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 87.7 p -69.87 -33.57 72.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.866 0.365 . . . . 10.0 111.2 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -74.42 -37.68 63.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.601 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -67.18 -36.41 81.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.275 -0.421 . . . . 10.0 110.242 179.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.93 -30.51 70.25 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.691 -0.686 . . . . 10.0 111.197 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 50.6 mm -59.5 -39.5 79.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.747 179.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -61.87 -32.75 73.14 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.507 -179.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 33.5 m-70 -77.32 -44.92 27.84 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.685 -0.688 . . . . 10.0 110.122 179.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -58.04 -44.74 87.57 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.888 -0.596 . . . . 10.0 111.405 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -57.19 -47.4 81.35 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.819 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -68.56 -34.17 75.35 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.433 -0.349 . . . . 10.0 111.353 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -67.2 -46.55 73.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.554 -0.294 . . . . 10.0 110.416 179.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 83.3 mt -59.23 -46.5 92.18 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 CA-C-O 120.974 0.416 . . . . 10.0 110.71 179.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 32.3 mtmt -60.66 -31.9 71.11 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.382 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 -73.96 -47.62 36.21 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.867 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 47.1 t -67.67 -40.7 84.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 112.165 0.432 . . . . 10.0 112.165 -178.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 21.4 mtpp -82.99 -16.69 46.21 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 111.831 0.308 . . . . 10.0 111.831 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 13.6 t0 57.42 53.45 7.5 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.422 0.629 . . . . 10.0 110.465 -179.232 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 29.4 m -154.02 153.86 32.69 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.978 -0.555 . . . . 10.0 110.527 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -96.8 -26.72 15.02 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.407 0.622 . . . . 10.0 109.675 179.153 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -99.73 96.79 7.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.609 -0.723 . . . . 10.0 110.387 -179.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 24.1 t -123.28 128.96 25.09 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 116.156 -0.475 . . . . 10.0 109.97 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_exo -65.48 99.83 0.38 Allowed 'Trans proline' 0 C--O 1.233 0.26 0 C-N-CA 122.595 2.197 . . . . 10.0 111.557 179.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 111' ' ' MET . . . . . . . . . . . . . 60.8 mtm -133.66 151.03 51.57 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.52 -179.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 85.1 t -133.76 134.22 56.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.655 -0.498 . . . . 10.0 109.655 179.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 14.3 tp -90.11 114.89 26.9 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.971 -0.752 . . . . 10.0 108.971 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 79.5 t -119.79 123.08 70.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 121.07 0.462 . . . . 10.0 111.595 -178.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -102.99 111.17 3.9 Favored Glycine 0 N--CA 1.448 -0.56 0 N-CA-C 110.697 -0.961 . . . . 10.0 110.697 179.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -88.46 168.13 12.87 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.494 0.147 . . . . 10.0 111.367 -178.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 85.2 mttt 61.3 37.92 16.78 Favored 'General case' 0 N--CA 1.462 0.144 0 O-C-N 123.658 0.599 . . . . 10.0 112.132 179.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 118' ' ' CYS . . . . . . . . . . . . . 65.6 m -73.51 -5.21 38.68 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.871 0.367 . . . . 10.0 111.799 179.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -91.03 -11.78 37.77 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.429 179.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 17.3 mt -80.9 136.8 50.54 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.9 179.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -74.59 169.79 21.76 Favored 'Trans proline' 0 C--O 1.238 0.48 0 C-N-CA 122.877 2.385 . . . . 10.0 112.354 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 4.3 m 57.64 59.23 3.33 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.502 -0.772 . . . . 10.0 111.486 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -75.73 120.45 21.13 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.397 0.618 . . . . 10.0 111.138 179.669 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -73.84 -39.89 63.69 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.751 -0.659 . . . . 10.0 110.293 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 49.4 t -97.08 120.2 46.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.467 179.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -81.9 159.03 23.75 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.022 179.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 3.6 m -67.44 -41.26 85.03 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.26 -0.427 . . . . 10.0 111.159 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 17.8 pttp -55.53 -46.49 77.04 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.791 -0.641 . . . . 10.0 112.478 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -69.29 -32.44 71.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.696 0.284 . . . . 10.0 111.067 -179.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -70.59 -42.64 70.77 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.103 -0.702 . . . . 10.0 109.103 179.174 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -71.35 -25.47 62.4 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.548 -0.751 . . . . 10.0 110.145 179.31 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -66.44 -45.83 78.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.471 0.653 . . . . 10.0 109.545 178.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 39.4 tp -69.63 -37.36 76.79 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.703 -0.681 . . . . 10.0 109.942 179.082 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.32 -33.95 76.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.598 -0.728 . . . . 10.0 109.999 179.012 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 20.2 ttm105 -65.54 -33.46 75.97 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.0 -0.546 . . . . 10.0 110.156 179.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 47.1 m -76.91 -32.25 57.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.742 178.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 11.2 m-30 -79.6 -30.75 41.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.011 -0.54 . . . . 10.0 111.933 -179.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 85.54 23.7 45.96 Favored Glycine 0 N--CA 1.447 -0.6 0 N-CA-C 110.449 -1.061 . . . . 10.0 110.449 -179.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 43.3 pt -117.63 154.54 50.84 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 115.367 -0.416 . . . . 10.0 110.462 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_endo -78.82 153.7 26.01 Favored 'Trans proline' 0 C--O 1.236 0.425 0 C-N-CA 122.455 2.103 . . . . 10.0 112.141 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -121.27 137.11 54.83 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.518 -0.765 . . . . 10.0 109.649 179.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 40.8 mt -133.51 133.62 57.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.959 0.409 . . . . 10.0 111.111 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -90.72 118.15 29.92 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 108.099 -1.074 . . . . 10.0 108.099 178.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 40.8 p -126.02 173.62 9.04 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.761 0.791 . . . . 10.0 113.004 -178.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 8.6 t -157.16 115.32 3.2 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.256 -1.338 . . . . 10.0 108.107 179.006 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -70.99 -28.78 64.68 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.827 0.346 . . . . 10.0 110.621 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 52.7 mttt -63.66 -45.75 88.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.93 -0.577 . . . . 10.0 111.658 179.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 16.1 p -95.77 -7.82 36.1 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.76 0.314 . . . . 10.0 111.523 -179.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 21.5 ttt-85 61.21 31.13 19.55 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.771 -0.65 . . . . 10.0 112.231 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -96.24 126.33 41.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.477 -0.328 . . . . 10.0 110.7 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 85.59 -9.53 67.69 Favored Glycine 0 C--O 1.23 -0.153 0 CA-C-N 115.91 -0.586 . . . . 10.0 112.834 179.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 59.8 t -60.22 -42.56 90.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 111.848 0.314 . . . . 10.0 111.848 -179.148 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -65.06 -51.82 59.26 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.941 0.401 . . . . 10.0 111.407 -179.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -65.18 -28.4 69.37 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.962 0.727 . . . . 10.0 112.962 -178.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -55.86 -45.37 78.48 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.973 0.416 . . . . 10.0 109.967 179.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -76.45 -39.9 52.08 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.157 179.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -56.66 -52.87 63.26 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.967 -0.561 . . . . 10.0 110.669 179.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 31.6 m -63.93 -35.74 81.65 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.828 -0.624 . . . . 10.0 111.76 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 53.0 tp -61.11 -42.01 97.74 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.435 -0.58 . . . . 10.0 109.435 178.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 54.9 t -67.49 -36.77 77.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.432 -0.804 . . . . 10.0 109.963 178.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.56 -41.86 95.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.301 179.134 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -60.77 -42.53 97.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.163 179.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 60.0 mt -63.43 -49.79 81.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.474 179.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 22.0 ttm180 -60.63 -42.79 97.58 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.572 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 43.2 mtmt -63.68 -41.73 98.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.455 -0.338 . . . . 10.0 110.464 179.113 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 25.3 t-80 -61.07 -45.6 94.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.728 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 97.4 mttt . . . . . 0 C--N 1.33 -0.28 0 CA-C-O 120.802 0.334 . . . . 10.0 111.887 -179.953 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 66.1 mt . . . . . 0 C--O 1.234 0.284 0 CA-C-O 121.156 0.503 . . . . 10.0 110.435 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? -60.68 -44.25 96.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.579 -0.737 . . . . 10.0 111.142 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 97.3 mt -66.92 -36.87 83.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.282 -0.417 . . . . 10.0 111.243 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 95.6 mt -69.62 -45.33 68.77 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.336 -0.393 . . . . 10.0 111.154 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -66.8 -44.0 82.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.395 -0.366 . . . . 10.0 111.277 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.49 -34.51 78.37 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.998 0.428 . . . . 10.0 110.498 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 68.9 t90 -71.13 -32.88 69.54 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.807 -0.633 . . . . 10.0 109.93 178.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -59.28 -44.41 92.48 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.418 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 17.1 m -65.11 -34.72 79.07 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.061 -0.518 . . . . 10.0 111.043 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 61.6 t -70.88 -38.57 73.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 109.643 -0.503 . . . . 10.0 109.643 179.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 27.9 m -61.06 -43.7 98.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.748 -0.66 . . . . 10.0 111.203 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.8 -29.01 68.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.37 0.605 . . . . 10.0 110.104 179.163 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 51.1 m -67.14 -41.04 86.74 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.87 -0.789 . . . . 10.0 108.87 178.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -62.95 -38.59 91.67 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.697 -0.683 . . . . 10.0 110.591 178.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 1.4 m -60.55 -51.42 69.5 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.123 -0.49 . . . . 10.0 109.95 179.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 39.0 mmtt -62.57 -38.94 92.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.468 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 57.1 mt -62.07 -45.92 91.39 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.11 -0.496 . . . . 10.0 110.235 179.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 61.0 mtt180 -67.85 -36.82 81.0 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.31 -0.404 . . . . 10.0 110.611 179.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -66.18 -30.85 71.4 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.145 179.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -87.35 -26.08 23.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.15 179.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 13.0 mt -60.51 -38.94 85.99 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.951 179.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -51.79 -62.7 5.36 Favored Glycine 0 CA--C 1.52 0.345 0 O-C-N 123.697 0.623 . . . . 10.0 111.831 179.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -56.3 -36.77 97.36 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 122.354 2.036 . . . . 10.0 110.797 177.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 14.9 t -58.73 -53.09 52.08 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.17 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.93 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.29 -37.34 85.13 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.777 0.322 . . . . 10.0 110.591 179.394 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -62.49 -54.68 36.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.581 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 227' ' ' GLU . . . . . 0.402 ' CD ' ' HZ2' ' D' ' 550' ' ' LYS . 19.8 mt-10 -62.79 -48.39 79.34 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.633 -0.712 . . . . 10.0 111.474 -179.574 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -58.7 -47.74 83.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.336 -0.393 . . . . 10.0 111.953 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -68.07 -35.94 79.02 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.781 -0.19 . . . . 10.0 111.273 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -59.75 -45.89 90.82 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.301 -0.629 . . . . 10.0 109.301 178.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -73.34 -36.54 66.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.787 -0.642 . . . . 10.0 110.362 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 17.2 mt -61.55 -39.2 90.25 Favored 'General case' 0 CA--C 1.515 -0.379 0 N-CA-C 109.719 -0.474 . . . . 10.0 109.719 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -64.49 -31.17 72.26 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-N 115.542 -0.754 . . . . 10.0 110.122 178.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 71.1 mttt -73.94 -36.63 64.67 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.074 -0.713 . . . . 10.0 109.074 178.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.11 -48.82 74.64 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 108.665 -0.865 . . . . 10.0 108.665 178.04 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -67.95 -35.48 78.47 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.545 -0.752 . . . . 10.0 109.928 179.246 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -58.72 -44.37 90.41 Favored 'General case' 0 CA--C 1.521 -0.16 0 N-CA-C 108.916 -0.772 . . . . 10.0 108.916 177.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -62.28 -44.6 97.45 Favored Glycine 0 N--CA 1.443 -0.89 0 N-CA-C 110.363 -1.095 . . . . 10.0 110.363 178.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 93.5 mt -66.1 -30.28 70.76 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.824 0.345 . . . . 10.0 110.552 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -69.04 -40.06 78.82 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.378 -0.601 . . . . 10.0 109.378 178.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -73.52 -38.48 65.3 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.492 -0.929 . . . . 10.0 108.492 178.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -66.44 -28.63 68.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.169 -0.923 . . . . 10.0 110.561 178.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 45.5 ttm -57.02 -32.66 66.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.487 -0.324 . . . . 10.0 110.617 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 3.5 m -70.01 1.21 4.81 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.805 179.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 35.0 mttm -131.62 -59.61 0.95 Allowed 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.142 -0.481 . . . . 10.0 109.941 178.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 246' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -55.1 -37.3 66.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.675 -0.693 . . . . 10.0 112.741 -178.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . 40.0 mt -109.02 -26.09 10.36 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.194 0.442 . . . . 10.0 112.194 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -82.32 -49.21 10.29 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.068 0.395 . . . . 10.0 112.068 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -66.9 -33.44 75.6 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.999 0.428 . . . . 10.0 109.878 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 250' ' ' VAL . . . . . . . . . . . . . 2.5 p -66.47 -34.89 73.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.749 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 68.1 mttt -79.78 -19.81 47.73 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.32 0.581 . . . . 10.0 110.781 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -84.94 -43.73 13.77 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.084 -0.71 . . . . 10.0 109.084 178.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 46.3 mttt -76.16 -24.88 54.84 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.529 -0.76 . . . . 10.0 111.071 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 254' ' ' VAL . . . . . . . . . . . . . 1.2 p -61.42 -24.53 33.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.611 0.243 . . . . 10.0 111.177 179.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -60.06 -65.07 2.32 Favored Pre-proline 0 CA--C 1.535 0.402 0 CA-C-N 116.362 -0.381 . . . . 10.0 110.413 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -66.6 -30.15 43.02 Favored 'Trans proline' 0 C--N 1.355 0.916 0 C-N-CA 121.453 1.436 . . . . 10.0 111.55 178.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 5.4 m-30 -62.93 -52.88 61.32 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.897 0.379 . . . . 10.0 110.245 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 21.1 mt -71.65 -39.21 70.5 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 116.15 -0.477 . . . . 10.0 111.25 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -61.09 -37.93 84.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.755 0.312 . . . . 10.0 110.798 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -67.69 -52.05 42.36 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 116.208 -0.451 . . . . 10.0 109.935 178.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -61.94 -42.23 98.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.813 -0.63 . . . . 10.0 111.341 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -65.36 -39.2 92.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.398 -0.364 . . . . 10.0 110.773 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -64.29 -52.09 60.3 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.501 -0.555 . . . . 10.0 109.501 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 264' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -63.67 -35.06 79.3 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.676 -0.693 . . . . 10.0 110.51 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -65.27 -37.16 86.33 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 115.927 -0.579 . . . . 10.0 110.306 179.2 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -62.76 -44.95 94.85 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.87 -0.789 . . . . 10.0 108.87 178.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -64.76 -42.21 95.31 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 108.592 -0.892 . . . . 10.0 108.592 178.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -54.23 -45.09 72.22 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.712 -0.676 . . . . 10.0 110.724 179.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 90.2 mmm -74.45 -41.66 60.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.824 -0.626 . . . . 10.0 111.067 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -60.49 -39.47 87.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.951 0.405 . . . . 10.0 109.988 179.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 71.1 mt -65.96 -42.82 89.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.739 -0.664 . . . . 10.0 109.306 178.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 1.4 m-30 -64.95 -32.19 73.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 10.0 110.674 178.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 88.2 mtt180 -74.39 -35.2 63.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.562 0.696 . . . . 10.0 109.602 178.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.59 -22.18 63.53 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.147 -0.933 . . . . 10.0 110.099 179.181 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 275' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -99.11 -34.66 10.3 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.912 -0.585 . . . . 10.0 111.034 179.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 3.0 p -55.74 -37.66 47.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 112.697 0.628 . . . . 10.0 112.697 -178.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -66.1 -60.74 6.48 Favored Pre-proline 0 CA--C 1.535 0.395 0 N-CA-C 112.096 0.406 . . . . 10.0 112.096 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -59.98 -39.5 70.29 Favored 'Trans proline' 0 C--N 1.355 0.899 0 C-N-CA 121.988 1.792 . . . . 10.0 111.656 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 24.3 mt -66.3 -40.34 89.93 Favored 'General case' 0 CA--C 1.521 -0.172 0 CA-C-N 116.746 -0.206 . . . . 10.0 110.677 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -65.13 -39.03 92.48 Favored 'General case' 0 CA--C 1.518 -0.254 0 N-CA-C 109.517 -0.549 . . . . 10.0 109.517 178.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -64.22 -43.66 94.3 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.517 -0.549 . . . . 10.0 109.517 178.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -61.62 -44.31 97.23 Favored 'General case' 0 C--O 1.231 0.108 0 N-CA-C 109.385 -0.598 . . . . 10.0 109.385 178.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 75.4 mt -63.26 -45.04 93.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.454 -0.793 . . . . 10.0 110.367 179.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -61.54 -55.16 34.03 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.12 -0.491 . . . . 10.0 111.11 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -61.91 -39.72 92.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.39 -0.368 . . . . 10.0 110.818 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -65.29 -47.37 80.8 Favored Glycine 0 N--CA 1.448 -0.545 0 N-CA-C 111.263 -0.735 . . . . 10.0 111.263 178.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -62.2 -36.01 80.62 Favored 'General case' 0 CA--C 1.519 -0.231 0 N-CA-C 110.067 -0.346 . . . . 10.0 110.067 179.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -56.53 -52.27 65.41 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.084 -0.507 . . . . 10.0 109.752 178.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -67.7 -46.71 71.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.829 -0.623 . . . . 10.0 111.159 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 69.7 mttt -59.99 -43.26 95.27 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.114 0.413 . . . . 10.0 112.114 -179.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 50.0 mt -75.66 -38.41 58.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.649 -0.251 . . . . 10.0 111.38 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 33.0 t-80 -61.46 -42.13 98.29 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.847 -0.427 . . . . 10.0 109.847 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -61.95 -40.3 95.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.718 -0.674 . . . . 10.0 109.298 178.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 48.7 mt -63.87 -36.69 84.74 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.753 -0.658 . . . . 10.0 110.304 179.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -64.25 -40.2 95.52 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.113 0.482 . . . . 10.0 110.256 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -66.33 -13.79 61.07 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.789 -0.641 . . . . 10.0 110.36 179.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 25.5 mmtp -118.32 13.36 13.63 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.521 0.677 . . . . 10.0 109.833 178.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -115.47 -40.67 3.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.547 -0.751 . . . . 10.0 110.549 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 299' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.95 -62.34 1.32 Allowed Pre-proline 0 C--N 1.322 -0.587 0 N-CA-C 112.112 0.412 . . . . 10.0 112.112 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 300' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -66.15 -46.93 3.87 Favored 'Trans proline' 0 C--N 1.356 0.969 0 C-N-CA 121.609 1.539 . . . . 10.0 112.119 -179.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 67.3 mt -69.0 -23.1 64.06 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.049 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -75.65 -46.14 15.49 Favored Glycine 0 C--O 1.225 -0.428 0 N-CA-C 109.668 -1.373 . . . . 10.0 109.668 178.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -62.59 -39.32 93.35 Favored 'General case' 0 CA--C 1.517 -0.312 0 N-CA-C 109.336 -0.616 . . . . 10.0 109.336 177.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -63.58 -44.21 94.73 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.434 -0.803 . . . . 10.0 109.445 178.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 6.5 tpt -63.82 -39.98 95.53 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.572 -0.529 . . . . 10.0 109.572 178.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 59.1 mtt180 -66.0 -38.04 87.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.002 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.07 -43.26 87.9 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.84 -0.618 . . . . 10.0 109.659 179.199 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 20.0 mmt180 -68.98 -31.18 69.85 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.928 -0.578 . . . . 10.0 109.807 178.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -66.88 -32.81 74.31 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.791 -0.641 . . . . 10.0 109.378 178.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 310' ' ' ARG . . . . . . . . . . . . . 74.5 mtt180 -59.09 -48.06 82.99 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 109.012 -0.736 . . . . 10.0 109.012 178.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -70.49 -35.27 73.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.826 -0.625 . . . . 10.0 109.77 178.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -53.57 -49.68 67.2 Favored 'General case' 0 N--CA 1.462 0.139 0 N-CA-C 109.26 -0.645 . . . . 10.0 109.26 178.467 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 24.1 t -79.35 -38.44 19.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.408 -0.815 . . . . 10.0 111.115 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -59.56 -45.93 90.37 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 120.814 0.34 . . . . 10.0 111.705 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -64.46 -39.23 93.41 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.24 -0.652 . . . . 10.0 109.24 178.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 19.8 mt -64.69 -46.46 82.32 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-N 115.767 -0.651 . . . . 10.0 109.873 179.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 12.0 mtm105 -62.04 -43.13 99.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.1 0.476 . . . . 10.0 110.445 179.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 93.5 m -62.9 -28.6 70.16 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.556 -0.747 . . . . 10.0 110.445 179.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -88.28 -36.38 16.73 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.861 -0.608 . . . . 10.0 110.792 179.267 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 78.1 mt -72.67 -26.65 61.7 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.907 0.336 . . . . 10.0 111.907 -179.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -55.57 -58.9 13.05 Favored Pre-proline 0 CA--C 1.534 0.363 0 C-N-CA 121.236 -0.186 . . . . 10.0 111.464 178.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -70.1 -28.63 23.39 Favored 'Trans proline' 0 C--N 1.357 0.999 0 C-N-CA 121.577 1.518 . . . . 10.0 111.14 178.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 8.9 m-30 -64.97 -51.94 59.0 Favored 'General case' 0 C--O 1.227 -0.125 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.816 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 22.6 p -63.85 -36.54 84.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.536 -0.302 . . . . 10.0 110.552 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -59.45 -52.7 64.48 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.514 -0.55 . . . . 10.0 109.514 178.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -70.38 -24.56 62.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.612 -0.722 . . . . 10.0 111.024 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 13.3 mt -66.65 -39.08 88.08 Favored 'General case' 0 N--CA 1.462 0.125 0 N-CA-C 108.906 -0.775 . . . . 10.0 108.906 178.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 53.8 mtt180 -67.88 -35.85 79.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.67 -0.695 . . . . 10.0 109.156 178.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -68.92 -41.8 77.66 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.361 -0.836 . . . . 10.0 109.002 178.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 330' ' ' ARG . . . . . 0.515 HH21 ' CB ' ' D' ' 447' ' ' GLU . 27.1 mtt180 -61.79 -46.48 89.37 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 115.677 -0.692 . . . . 10.0 109.264 177.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 7.2 mt -58.9 -46.12 88.62 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 115.352 -0.84 . . . . 10.0 110.01 179.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -60.18 -46.35 90.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.427 -0.351 . . . . 10.0 110.391 179.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -61.25 -45.61 93.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.883 -0.599 . . . . 10.0 110.837 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 33.3 mtt-85 -67.41 -45.72 75.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.027 -0.533 . . . . 10.0 111.063 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 46.1 mt -60.62 -42.29 96.56 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 116.58 -0.282 . . . . 10.0 110.523 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -62.39 -45.67 92.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.156 179.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -63.44 -48.66 76.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.091 -0.504 . . . . 10.0 109.738 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 80.8 mt -64.27 -22.39 66.93 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.744 -0.662 . . . . 10.0 111.045 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -82.76 -43.93 16.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.637 -0.256 . . . . 10.0 110.341 178.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 73.9 mt-10 -62.79 -56.6 15.98 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.5 -0.926 . . . . 10.0 108.5 177.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -62.92 -39.58 94.98 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 114.756 -1.111 . . . . 10.0 109.686 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -60.45 -44.03 98.11 Favored Glycine 0 N--CA 1.449 -0.499 0 CA-C-N 115.631 -0.713 . . . . 10.0 111.954 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -61.15 -41.6 99.52 Favored Glycine 0 N--CA 1.449 -0.461 0 N-CA-C 110.969 -0.852 . . . . 10.0 110.969 178.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -65.01 -44.91 87.64 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.712 -0.477 . . . . 10.0 109.712 178.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 30.9 mtm180 -59.79 -43.21 94.54 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.422 179.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 48.0 mt -63.31 -47.3 82.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.906 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.63 -44.87 95.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.957 0.408 . . . . 10.0 110.435 179.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -66.42 -43.15 86.51 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.71 -0.677 . . . . 10.0 110.557 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -66.8 -34.84 78.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.582 -0.281 . . . . 10.0 110.729 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 3.8 m170 -64.5 -45.44 87.29 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.921 -0.77 . . . . 10.0 108.921 178.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -63.61 -41.84 98.27 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.272 -0.64 . . . . 10.0 109.272 178.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 10.8 ttmm -59.23 -48.41 81.73 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.53 -0.759 . . . . 10.0 110.067 178.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -62.76 -36.98 84.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.339 179.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 33.4 m -63.1 -46.17 88.62 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.244 -0.435 . . . . 10.0 109.857 179.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -67.15 -41.82 85.41 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.13 -0.486 . . . . 10.0 109.852 178.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -59.38 -38.55 80.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.9 -0.591 . . . . 10.0 110.557 178.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 30.8 mt -63.64 -37.57 87.82 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.437 -0.347 . . . . 10.0 111.183 179.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 19.7 m -62.98 -46.27 88.47 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.731 -0.47 . . . . 10.0 109.731 179.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -73.78 -29.41 62.18 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.849 179.037 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 20.3 tp -66.27 -34.63 78.43 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.952 -0.759 . . . . 10.0 108.952 178.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 50.9 m -63.08 -26.56 68.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.438 -0.801 . . . . 10.0 110.283 178.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -66.33 -28.15 68.45 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.311 -0.625 . . . . 10.0 109.311 178.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 363' ' ' LYS . . . . . . . . . . . . . 37.4 mtmt -91.84 -21.91 20.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.527 -0.76 . . . . 10.0 110.145 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -87.76 -30.54 20.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.048 -0.524 . . . . 10.0 112.41 -178.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 64.8 mttt -109.87 -72.62 0.02 OUTLIER Pre-proline 0 C--N 1.327 -0.407 0 N-CA-C 113.319 0.859 . . . . 10.0 113.319 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -58.79 -56.65 1.33 Allowed 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 122.145 1.897 . . . . 10.0 113.052 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 367' ' ' ALA . . . . . . . . . . . . . . . -60.99 -45.78 93.42 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 111.618 0.229 . . . . 10.0 111.618 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 5.5 mt -63.48 -40.88 98.26 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 121.014 -0.274 . . . . 10.0 110.871 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -62.15 -44.26 97.01 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.785 -0.82 . . . . 10.0 108.785 178.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -60.72 -44.27 96.82 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.258 -0.883 . . . . 10.0 110.29 179.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 94.7 mt -63.89 -44.4 93.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.753 -0.658 . . . . 10.0 110.559 179.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 60.8 mtt180 -60.13 -45.35 93.33 Favored 'General case' 0 CA--C 1.519 -0.227 0 N-CA-C 109.672 -0.492 . . . . 10.0 109.672 179.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -61.74 -36.72 81.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.795 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -76.71 -28.11 59.77 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.931 -0.652 . . . . 10.0 112.285 179.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 51.6 mt -79.6 -23.62 42.56 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 111.801 0.297 . . . . 10.0 111.801 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 75.7 mt -56.04 -57.77 20.21 Favored Pre-proline 0 CA--C 1.535 0.393 0 N-CA-C 111.973 0.36 . . . . 10.0 111.973 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -66.48 -27.18 46.83 Favored 'Trans proline' 0 C--N 1.357 0.994 0 C-N-CA 121.825 1.683 . . . . 10.0 110.53 178.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 20.3 t -63.95 -46.72 93.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 109.094 -0.706 . . . . 10.0 109.094 178.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 68.9 mt -64.94 -37.11 86.57 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 109.289 -0.634 . . . . 10.0 109.289 178.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -58.55 -50.16 74.79 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.693 -0.685 . . . . 10.0 110.615 179.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 2.1 p -69.41 -41.18 76.73 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.094 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -60.26 -37.35 80.16 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 116.303 -0.408 . . . . 10.0 110.669 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 78.3 mttt -59.87 -44.55 94.11 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 109.663 -0.495 . . . . 10.0 109.663 178.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 41.4 t -64.3 -43.44 97.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.002 179.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 37.2 m -63.15 -42.59 99.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.866 -0.606 . . . . 10.0 111.373 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -66.94 -42.82 84.66 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.519 -0.31 . . . . 10.0 110.492 179.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 76.6 mt -62.89 -48.02 80.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.981 -0.554 . . . . 10.0 111.253 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 8.8 p -65.22 -36.3 83.71 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.485 -0.325 . . . . 10.0 110.786 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -64.6 -42.35 95.63 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 116.299 -0.41 . . . . 10.0 110.216 179.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 45.9 mt -60.3 -41.93 94.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.656 -0.702 . . . . 10.0 109.766 179.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -69.27 -43.18 74.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.857 -0.61 . . . . 10.0 110.152 178.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -56.69 -47.05 80.76 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.359 -0.382 . . . . 10.0 111.163 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -64.1 -43.17 96.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.739 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 22.9 m -66.71 -41.53 87.82 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.384 -0.371 . . . . 10.0 111.643 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -63.62 -36.24 83.18 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 113.377 0.881 . . . . 10.0 113.377 -178.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -99.66 -29.51 12.62 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 114.351 1.241 . . . . 10.0 114.351 -177.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 84.2 mt -89.39 -17.19 29.29 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.683 0.623 . . . . 10.0 112.683 -178.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 50.1 t30 . . . . . 0 C--N 1.324 -0.542 0 C-N-CA 120.989 -0.284 . . . . 10.0 111.129 -179.503 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 3.2 mm? . . . . . 0 C--O 1.234 0.288 0 CA-C-O 121.137 0.494 . . . . 10.0 110.453 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 4.1 mppt? -106.51 31.55 5.13 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.664 -0.698 . . . . 10.0 109.879 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 72.1 mt -59.4 -44.29 92.83 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.837 -0.62 . . . . 10.0 111.201 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 97.4 mt -60.66 -35.68 76.84 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.551 -0.295 . . . . 10.0 111.184 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -73.86 -37.79 64.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.232 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -72.12 -41.09 67.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.156 -0.474 . . . . 10.0 110.804 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 15.7 m95 -66.14 -26.66 67.54 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.57 179.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -64.25 -46.15 85.02 Favored 'General case' 0 CA--C 1.515 -0.379 0 N-CA-C 109.863 -0.421 . . . . 10.0 109.863 179.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.94 -42.01 79.27 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.2 -0.455 . . . . 10.0 109.816 178.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 18.3 t -67.4 -37.16 78.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.261 0.553 . . . . 10.0 110.759 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 33.5 m -67.51 -34.77 77.8 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.307 0.575 . . . . 10.0 109.533 178.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 13.0 m -67.81 -46.65 71.3 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.626 -0.715 . . . . 10.0 109.961 178.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 3.0 p -64.3 -37.32 87.09 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-O 120.802 0.334 . . . . 10.0 110.468 178.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 3.0 m-30 -62.52 -40.98 98.5 Favored 'General case' 0 C--O 1.231 0.12 0 N-CA-C 108.97 -0.752 . . . . 10.0 108.97 177.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 63.9 m -66.67 -35.89 81.22 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.865 -0.607 . . . . 10.0 109.389 178.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 36.6 mmtt -63.12 -35.67 81.03 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.736 -0.666 . . . . 10.0 109.801 177.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 96.0 mt -67.16 -38.08 84.86 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.096 -0.705 . . . . 10.0 109.096 178.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -66.05 -37.55 86.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.63 -0.714 . . . . 10.0 109.719 178.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 69.0 mt-10 -61.19 -32.78 72.53 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.045 178.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -82.21 -45.9 14.45 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.56 -0.746 . . . . 10.0 110.038 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 41.2 mt -47.46 -42.09 21.88 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 115.789 -0.641 . . . . 10.0 112.656 -179.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -52.0 -73.71 0.36 Allowed Glycine 0 CA--C 1.522 0.524 0 C-N-CA 121.268 -0.491 . . . . 10.0 112.235 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -60.77 -35.4 89.1 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.428 2.086 . . . . 10.0 112.148 178.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 3.1 t -58.91 -45.75 91.67 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 O-C-N 123.178 0.299 . . . . 10.0 111.424 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 18.3 p -69.9 -33.11 71.76 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.975 0.417 . . . . 10.0 110.317 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -63.99 -50.12 69.78 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.766 -0.652 . . . . 10.0 109.995 178.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -71.54 -30.58 66.06 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.246 -0.434 . . . . 10.0 110.453 178.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -62.64 -44.59 95.89 Favored 'General case' 0 C--O 1.224 -0.279 0 N-CA-C 109.042 -0.725 . . . . 10.0 109.042 178.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 1.6 m0 -64.96 -38.28 90.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.634 -0.712 . . . . 10.0 110.311 178.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -65.83 -41.32 91.92 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.136 -0.691 . . . . 10.0 109.136 179.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 16.1 t30 -66.67 -42.82 85.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.364 -0.835 . . . . 10.0 109.868 178.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 70.6 mt -58.61 -43.41 89.6 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.16 179.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -65.44 -36.57 84.32 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.36 178.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 41.6 mttp -64.76 -48.25 75.22 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.37 -0.604 . . . . 10.0 109.37 178.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -64.54 -47.69 77.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.831 -0.622 . . . . 10.0 111.573 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 19.8 p -61.89 -38.8 89.69 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.767 0.284 . . . . 10.0 111.767 -179.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -72.77 -37.77 67.54 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.925 -0.398 . . . . 10.0 109.925 178.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -63.31 -49.75 68.17 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 110.318 -1.113 . . . . 10.0 110.318 178.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 39.2 mt -67.58 -26.09 66.1 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 109.917 -0.401 . . . . 10.0 109.917 178.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 25.0 ttm180 -63.25 -48.46 78.14 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.797 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -64.86 -33.3 75.68 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 121.075 0.464 . . . . 10.0 110.011 179.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -72.28 -38.26 68.85 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 109.17 -0.678 . . . . 10.0 109.17 179.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 58.9 mmm -66.87 -42.02 86.32 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 115.543 -0.753 . . . . 10.0 112.163 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.84 -48.17 80.2 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.832 -0.433 . . . . 10.0 109.832 179.263 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -63.42 -39.86 95.62 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.792 -0.64 . . . . 10.0 109.854 179.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -65.19 -54.79 24.26 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 115.837 -0.62 . . . . 10.0 110.828 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 73.3 mt -59.51 -46.56 88.48 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.164 0.431 . . . . 10.0 112.164 -179.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -60.49 -48.06 83.42 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.42 -0.354 . . . . 10.0 110.947 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 447' ' ' GLU . . . . . 0.515 ' CB ' HH21 ' A' ' 330' ' ' ARG . 63.8 mt-10 -67.65 -32.45 73.15 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.815 179.294 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 2.1 t -58.44 -38.87 72.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.777 0.323 . . . . 10.0 110.266 179.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 85.1 mttt -65.26 -31.1 72.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.026 0.441 . . . . 10.0 109.971 179.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -97.05 10.56 38.94 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.89 -0.595 . . . . 10.0 111.397 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 59.2 mttm -124.86 -45.67 1.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.328 -0.397 . . . . 10.0 111.274 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 73.7 t -70.42 -42.97 78.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.463 -0.335 . . . . 10.0 110.99 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -57.31 -57.17 26.83 Favored Pre-proline 0 CA--C 1.536 0.431 0 N-CA-C 112.01 0.374 . . . . 10.0 112.01 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -63.43 -27.48 70.76 Favored 'Trans proline' 0 C--N 1.356 0.954 0 C-N-CA 122.107 1.872 . . . . 10.0 111.482 178.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -71.76 -39.77 69.76 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.196 -0.668 . . . . 10.0 109.196 178.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 21.8 mt -66.59 -38.63 87.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.676 -0.693 . . . . 10.0 109.154 178.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -65.26 -45.73 83.38 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.75 -0.659 . . . . 10.0 109.344 178.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -60.29 -44.45 95.38 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.373 -0.83 . . . . 10.0 109.533 178.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -66.77 -43.46 83.97 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.438 -0.801 . . . . 10.0 110.536 179.322 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -58.18 -41.31 83.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.739 0.304 . . . . 10.0 110.624 179.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 67.5 mttt -64.28 -42.72 96.29 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.772 -0.455 . . . . 10.0 109.772 178.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.42 -39.09 85.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.3 178.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 38.9 m0 -65.42 -40.71 93.67 Favored 'General case' 0 CA--C 1.517 -0.323 0 N-CA-C 109.428 -0.582 . . . . 10.0 109.428 178.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -60.03 -50.38 73.96 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 109.18 -0.674 . . . . 10.0 109.18 178.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 465' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -61.89 -45.47 93.61 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 116.154 -0.476 . . . . 10.0 109.917 179.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 22.7 tp10 -56.33 -51.23 69.02 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.661 -0.7 . . . . 10.0 110.321 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 73.7 mtm -65.75 -41.46 92.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.881 -0.6 . . . . 10.0 111.118 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -59.6 -48.16 82.76 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.187 -0.671 . . . . 10.0 109.187 178.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 469' ' ' LEU . . . . . . . . . . . . . 91.3 mt -61.56 -31.18 71.21 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.559 -0.746 . . . . 10.0 110.551 179.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 16.5 m-30 -71.35 -36.06 71.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.157 0.504 . . . . 10.0 110.048 178.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 74.6 mtt85 -76.4 -17.57 59.29 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.416 0.627 . . . . 10.0 109.637 178.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -101.04 1.49 39.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.434 -0.803 . . . . 10.0 110.647 178.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 473' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.26 -71.06 0.5 Allowed 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.043 179.59 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 51.1 t -54.66 -44.53 70.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.054 -0.521 . . . . 10.0 111.675 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -62.4 -59.0 14.11 Favored Pre-proline 0 CA--C 1.535 0.4 0 N-CA-C 113.036 0.754 . . . . 10.0 113.036 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -63.59 -36.08 55.44 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 121.539 1.493 . . . . 10.0 111.397 178.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 11.3 mt -67.24 -24.22 65.79 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 116.544 -0.298 . . . . 10.0 110.374 179.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 22.8 mtt180 -63.07 -34.37 77.44 Favored 'General case' 0 C--O 1.224 -0.289 0 N-CA-C 108.583 -0.895 . . . . 10.0 108.583 178.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -74.91 -43.6 53.38 Favored 'General case' 0 N--CA 1.456 -0.175 0 N-CA-C 109.361 -0.607 . . . . 10.0 109.361 179.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.25 -41.9 98.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.329 0.585 . . . . 10.0 110.255 178.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 80.9 mt -71.96 -37.31 69.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.781 -0.645 . . . . 10.0 109.878 179.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -66.02 -41.27 91.18 Favored 'General case' 0 C--O 1.225 -0.218 0 N-CA-C 109.562 -0.532 . . . . 10.0 109.562 179.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -65.39 -41.84 93.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.251 0.548 . . . . 10.0 109.574 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -65.25 -36.61 93.01 Favored Glycine 0 N--CA 1.444 -0.816 0 N-CA-C 109.958 -1.257 . . . . 10.0 109.958 178.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -69.04 -40.06 78.82 Favored 'General case' 0 C--O 1.224 -0.276 0 N-CA-C 109.873 -0.417 . . . . 10.0 109.873 178.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 59.1 mtt180 -62.71 -45.8 91.07 Favored 'General case' 0 CA--C 1.516 -0.354 0 N-CA-C 109.553 -0.536 . . . . 10.0 109.553 179.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -63.16 -41.07 99.2 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 115.952 -0.567 . . . . 10.0 109.594 178.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -63.01 -43.06 99.8 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 115.389 -0.823 . . . . 10.0 109.573 178.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 71.0 mt -64.07 -42.67 96.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.914 -0.585 . . . . 10.0 110.049 178.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -62.49 -45.01 94.97 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.257 -0.646 . . . . 10.0 109.257 178.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -59.57 -41.0 89.2 Favored 'General case' 0 CA--C 1.518 -0.254 0 N-CA-C 109.155 -0.683 . . . . 10.0 109.155 178.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 93.0 mt -66.31 -38.48 87.83 Favored 'General case' 0 C--O 1.221 -0.402 0 CA-C-N 115.542 -0.754 . . . . 10.0 110.185 178.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -61.64 -42.9 99.55 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.338 0.59 . . . . 10.0 110.112 179.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -72.17 0.89 8.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.539 -0.755 . . . . 10.0 111.334 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 495' ' ' LYS . . . . . . . . . . . . . 43.2 mttp -116.84 -45.94 2.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.156 -0.474 . . . . 10.0 110.09 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 95.6 mt -67.46 -13.71 62.27 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.073 -0.512 . . . . 10.0 112.328 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 497' ' ' SER . . . . . . . . . . . . . 14.3 m -87.5 -61.98 0.23 Allowed Pre-proline 0 C--N 1.326 -0.442 0 C-N-CA 120.806 -0.358 . . . . 10.0 111.015 179.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 498' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_endo -63.71 -48.82 4.94 Favored 'Trans proline' 0 C--N 1.356 0.923 0 C-N-CA 121.73 1.62 . . . . 10.0 110.66 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 499' ' ' LEU . . . . . . . . . . . . . 98.3 mt -70.1 -27.84 64.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.423 -0.353 . . . . 10.0 110.209 179.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -67.23 -48.88 56.46 Favored Glycine 0 N--CA 1.45 -0.369 0 N-CA-C 110.607 -0.997 . . . . 10.0 110.607 179.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -69.58 -35.09 75.04 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.545 -0.539 . . . . 10.0 109.545 178.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 502' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -65.62 -45.76 81.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.013 -0.54 . . . . 10.0 109.978 179.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 14.1 tmm? -63.31 -38.69 92.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.958 -0.564 . . . . 10.0 109.528 179.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 64.5 mtt180 -64.64 -39.28 93.41 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.06 -0.718 . . . . 10.0 109.06 178.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -68.91 -34.96 76.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.013 -0.539 . . . . 10.0 109.557 178.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 506' ' ' ARG . . . . . . . . . . . . . 49.5 mtt180 -63.09 -47.08 84.41 Favored 'General case' 0 CA--C 1.52 -0.174 0 N-CA-C 107.28 -1.378 . . . . 10.0 107.28 176.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -59.21 -40.41 85.73 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 115.369 -0.832 . . . . 10.0 109.358 178.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 508' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -57.66 -52.94 63.39 Favored 'General case' 0 C--O 1.22 -0.464 0 N-CA-C 108.852 -0.796 . . . . 10.0 108.852 177.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -61.14 -30.78 70.59 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.82 -0.627 . . . . 10.0 111.619 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -73.35 -56.75 4.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.457 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 51.8 t -62.83 -39.83 86.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.734 -179.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -60.86 -41.49 96.01 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.089 -0.505 . . . . 10.0 109.74 179.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -64.49 -43.37 94.33 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 108.515 -0.92 . . . . 10.0 108.515 178.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 514' ' ' LEU . . . . . . . . . . . . . 91.6 mt -58.24 -32.56 68.45 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.968 -0.56 . . . . 10.0 111.239 179.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 515' ' ' ARG . . . . . . . . . . . . . 73.2 mtt180 -63.86 -25.56 68.22 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.993 0.425 . . . . 10.0 110.203 178.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.22 7.56 21.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.656 -0.702 . . . . 10.0 110.086 179.691 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 24.7 m170 -118.05 -67.05 1.02 Allowed 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.642 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 75.3 mt -67.9 -54.44 18.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.661 -0.7 . . . . 10.0 111.797 -179.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 519' ' ' ALA . . . . . . . . . . . . . . . -49.55 -58.81 8.03 Favored Pre-proline 0 CA--C 1.535 0.388 0 N-CA-C 112.977 0.732 . . . . 10.0 112.977 -179.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 520' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -61.46 -30.41 86.71 Favored 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 121.751 1.634 . . . . 10.0 111.492 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -71.45 -42.62 67.95 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 120.764 -0.375 . . . . 10.0 110.662 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 1.3 p -64.87 -26.96 68.55 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.47 -0.567 . . . . 10.0 109.47 178.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -71.12 -40.56 71.37 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 108.568 -0.901 . . . . 10.0 108.568 178.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -66.78 -40.4 88.17 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 108.291 -1.003 . . . . 10.0 108.291 177.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 67.1 mt -63.4 -30.94 71.99 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 114.94 -1.027 . . . . 10.0 110.669 179.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 526' ' ' ARG . . . . . . . . . . . . . 60.3 mtt180 -59.62 -40.88 89.04 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 109.675 -0.491 . . . . 10.0 109.675 178.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -68.82 -41.06 79.14 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.633 -0.712 . . . . 10.0 110.25 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 528' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -67.7 -41.29 83.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.534 -0.757 . . . . 10.0 110.27 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 79.0 mt -63.44 -38.7 92.15 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.006 -0.543 . . . . 10.0 109.609 178.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -63.58 -37.63 88.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 10.0 109.985 178.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -71.72 -43.58 65.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.813 -0.63 . . . . 10.0 110.248 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 13.8 ttm180 -64.21 -46.55 83.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.769 -0.65 . . . . 10.0 109.856 179.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 31.7 mt -63.17 -31.98 73.26 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.048 178.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -64.27 -41.98 96.67 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 109.231 -0.655 . . . . 10.0 109.231 178.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -66.73 -39.9 88.14 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 109.151 -0.685 . . . . 10.0 109.151 178.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 84.1 mt -65.81 -32.0 73.29 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.877 -0.602 . . . . 10.0 110.284 179.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -79.43 -40.89 28.87 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.399 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -65.88 -58.55 5.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.969 -0.56 . . . . 10.0 110.606 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 48.5 m-20 -68.1 -35.56 78.36 Favored 'General case' 0 CA--C 1.511 -0.524 0 N-CA-C 109.571 -0.529 . . . . 10.0 109.571 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -63.57 -45.63 94.21 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.764 -0.731 . . . . 10.0 111.516 179.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -62.07 -42.23 99.72 Favored Glycine 0 C--N 1.334 0.455 0 N-CA-C 110.768 -0.933 . . . . 10.0 110.768 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -64.43 -42.69 95.87 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 108.925 -0.769 . . . . 10.0 108.925 178.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 55.5 mtt85 -63.87 -35.65 81.34 Favored 'General case' 0 C--O 1.217 -0.648 0 CA-C-N 115.616 -0.72 . . . . 10.0 110.648 179.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 84.3 mt -61.99 -39.23 91.47 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.97 -0.752 . . . . 10.0 108.97 178.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -69.8 -38.57 76.68 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.531 -0.914 . . . . 10.0 108.531 178.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -64.41 -44.03 92.5 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.686 -0.688 . . . . 10.0 109.73 178.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -59.39 -48.27 82.26 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 115.728 -0.669 . . . . 10.0 109.254 178.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 6.7 m170 -62.38 -43.62 98.4 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.843 179.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -63.76 -52.71 59.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.511 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 550' ' ' LYS . . . . . 0.402 ' HZ2' ' CD ' ' A' ' 227' ' ' GLU . 0.0 OUTLIER -64.23 -30.19 71.25 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.729 0.3 . . . . 10.0 110.558 179.791 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -66.89 -45.41 78.1 Favored 'General case' 0 CA--C 1.513 -0.469 0 N-CA-C 109.733 -0.469 . . . . 10.0 109.733 178.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -69.56 -39.77 77.19 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 109.911 -0.403 . . . . 10.0 109.911 179.399 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -61.12 -52.4 65.04 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.988 -0.551 . . . . 10.0 109.61 178.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 7.8 t-160 -62.75 -37.4 86.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.566 -0.743 . . . . 10.0 110.181 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 44.0 tp -57.48 -45.28 85.0 Favored 'General case' 0 C--O 1.237 0.418 0 N-CA-C 109.853 -0.425 . . . . 10.0 109.853 178.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 10.9 m -62.78 -38.62 91.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.828 -0.623 . . . . 10.0 109.868 178.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 3.0 m -70.89 -37.4 73.01 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.767 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 92.3 mt -64.53 -50.93 65.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.764 -0.653 . . . . 10.0 110.534 179.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 2.2 p -65.04 -32.45 74.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.912 0.387 . . . . 10.0 110.116 179.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -63.52 -21.79 66.53 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.525 -0.762 . . . . 10.0 109.673 178.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.98 -45.24 5.48 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.757 -0.656 . . . . 10.0 109.767 179.274 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -56.19 -43.53 78.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.185 -0.461 . . . . 10.0 112.185 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 85.1 mttt -56.18 -64.28 2.5 Favored Pre-proline 0 CA--C 1.533 0.307 0 N-CA-C 112.237 0.458 . . . . 10.0 112.237 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -68.18 -37.09 15.06 Favored 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 122.36 2.04 . . . . 10.0 113.197 -179.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -60.21 -49.61 76.94 Favored 'General case' 0 C--O 1.222 -0.387 0 C-N-CA 121.243 -0.183 . . . . 10.0 110.967 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 19.2 mt -63.52 -38.07 89.74 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.882 -0.327 . . . . 10.0 110.916 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -62.91 -52.65 62.26 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 108.956 -0.757 . . . . 10.0 108.956 178.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.89 -44.65 94.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.597 -0.729 . . . . 10.0 110.814 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 35.2 mt -59.3 -47.05 86.84 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.134 -0.484 . . . . 10.0 110.539 179.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 74.0 mtt180 -65.63 -40.58 92.7 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.89 0.376 . . . . 10.0 110.54 179.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -66.4 -17.94 65.07 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.864 -0.607 . . . . 10.0 111.218 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -102.6 -35.81 3.7 Favored Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.757 -0.735 . . . . 10.0 111.774 179.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 84.2 mt -71.43 -37.96 71.42 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 111.722 0.268 . . . . 10.0 111.722 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 20.5 mt -56.2 -59.43 11.9 Favored Pre-proline 0 CA--C 1.535 0.401 0 N-CA-C 112.038 0.385 . . . . 10.0 112.038 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.53 -34.79 32.22 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 121.94 1.76 . . . . 10.0 111.974 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -66.99 -35.28 74.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 120.918 -0.313 . . . . 10.0 110.409 179.62 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 22.7 mt -67.3 -41.34 85.55 Favored 'General case' 0 CA--C 1.516 -0.336 0 N-CA-C 109.471 -0.566 . . . . 10.0 109.471 178.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -61.26 -43.99 97.97 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.119 -0.697 . . . . 10.0 109.119 178.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 19.7 m -66.42 -38.32 87.18 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.416 -0.811 . . . . 10.0 109.822 178.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 4.7 m-30 -62.78 -41.52 99.29 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 116.005 -0.543 . . . . 10.0 109.898 178.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -58.32 -39.93 80.72 Favored 'General case' 0 CA--C 1.519 -0.245 0 N-CA-C 109.719 -0.474 . . . . 10.0 109.719 178.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 58.1 t -61.89 -49.32 84.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.078 -0.51 . . . . 10.0 109.995 179.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 6.8 p -67.1 -23.87 65.88 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.576 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -80.61 -44.56 18.72 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 109.986 -0.376 . . . . 10.0 109.986 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 53.4 mt -59.74 -46.16 90.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.811 -0.631 . . . . 10.0 111.09 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 5.4 p -65.48 -34.46 78.33 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.199 0.523 . . . . 10.0 110.678 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -70.21 -55.68 8.69 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.359 179.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 90.9 mt -56.49 -47.49 79.15 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.445 0.535 . . . . 10.0 112.445 -179.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -58.91 -47.89 83.38 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.404 -0.362 . . . . 10.0 111.425 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -70.36 -39.49 74.61 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 111.944 0.349 . . . . 10.0 111.944 -179.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -60.61 -45.61 93.37 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.708 0.289 . . . . 10.0 111.138 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 4.9 m -64.87 -24.93 67.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.239 -0.437 . . . . 10.0 111.213 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -82.66 -35.63 26.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.837 0.351 . . . . 10.0 110.975 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -71.65 -37.43 70.81 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.066 0.46 . . . . 10.0 110.071 178.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 5.4 mt -100.11 27.23 5.73 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.423 -0.808 . . . . 10.0 110.525 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 . . . . . 0 C--N 1.324 -0.512 0 CA-C-N 116.438 -0.346 . . . . 10.0 111.277 -179.755 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 N--CA 1.454 -0.253 0 CA-C-O 120.71 0.29 . . . . 10.0 110.309 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.68 131.11 42.28 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.057 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -95.95 139.01 32.77 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.484 -0.325 . . . . 10.0 110.176 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 99.6 m-85 -131.71 110.89 11.21 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.512 -0.313 . . . . 10.0 110.187 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 46.2 mttm -81.47 110.98 17.39 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.163 -0.471 . . . . 10.0 110.651 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 11.1 mt -108.93 121.35 44.92 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.72 -0.673 . . . . 10.0 110.573 -178.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 48.0 t -107.36 121.66 60.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-O 120.764 0.316 . . . . 10.0 110.808 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 10.3 t -93.5 111.08 24.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.637 -0.505 . . . . 10.0 109.637 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 5.3 m -117.0 159.03 17.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.122 0.487 . . . . 10.0 111.842 -179.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 155.64 -163.45 31.68 Favored Glycine 0 N--CA 1.446 -0.649 0 CA-C-N 115.42 -0.809 . . . . 10.0 111.359 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -86.93 -170.49 3.09 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.709 0.29 . . . . 10.0 110.606 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -98.43 137.08 37.64 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.487 -0.324 . . . . 10.0 111.171 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 86.06 9.66 76.6 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 121.082 -0.58 . . . . 10.0 113.058 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 18.8 m -81.7 -15.87 12.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.696 0.248 . . . . 10.0 111.243 -179.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 99.58 26.43 8.63 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.483 -0.865 . . . . 10.0 113.811 178.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 31.8 mtmt -63.84 -34.74 78.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.027 0.441 . . . . 10.0 110.033 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 2.1 m -78.87 -43.39 25.12 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.809 -0.632 . . . . 10.0 109.661 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.21 -44.55 79.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.086 -0.506 . . . . 10.0 110.898 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 73.8 mt -66.12 -49.31 67.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 10.0 111.476 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 16.2 m -63.96 -45.64 88.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.443 -0.344 . . . . 10.0 111.526 -179.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 95.2 mt -63.01 -34.2 65.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.677 0.275 . . . . 10.0 110.637 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -69.77 -16.65 63.34 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.904 0.383 . . . . 10.0 111.348 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 9.8 tp -98.41 -37.4 9.62 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.997 0.427 . . . . 10.0 110.471 179.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 49.3 mm -79.74 -58.79 3.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.73 -0.668 . . . . 10.0 111.899 -179.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -93.79 -11.8 30.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.875 0.369 . . . . 10.0 111.093 -179.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 64.7 m-80 62.66 29.4 16.86 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 113.802 1.038 . . . . 10.0 113.802 178.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -132.44 150.15 52.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.758 0.313 . . . . 10.0 110.805 179.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -93.98 129.58 40.4 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.878 -179.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 34.9 m -90.6 -171.27 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.625 -0.716 . . . . 10.0 109.605 178.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -149.87 -39.9 0.14 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.927 0.394 . . . . 10.0 110.918 179.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -79.88 146.53 32.12 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.1 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -85.81 113.05 21.66 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.134 -179.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . 0.436 ' O ' ' S1G' ' B' ' 201' ' ' GSP . 3.4 t70 -114.85 101.85 54.61 Favored Pre-proline 0 C--N 1.324 -0.507 0 N-CA-C 109.654 -0.499 . . . . 10.0 109.654 179.216 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -49.72 124.21 11.92 Favored 'Trans proline' 0 N--CA 1.473 0.273 0 C-N-CA 123.484 2.79 . . . . 10.0 113.103 -178.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' THR . . . . . 0.421 ' OG1' ' O3G' ' B' ' 201' ' ' GSP . 6.0 m -101.84 115.12 29.85 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.677 -0.692 . . . . 10.0 110.003 -179.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 51.5 mm -81.77 -51.78 14.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 108.771 -0.826 . . . . 10.0 108.771 178.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -167.09 88.41 0.31 Allowed 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.35 -0.841 . . . . 10.0 110.243 179.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -106.18 123.82 48.63 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.885 -0.598 . . . . 10.0 110.664 -179.411 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.8 p -106.91 129.21 54.77 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.6 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -124.49 140.59 52.8 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.535 -0.302 . . . . 10.0 110.893 -178.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -117.82 134.56 54.8 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.785 -179.566 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 42.9 tttp -145.29 142.38 29.41 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.468 -0.333 . . . . 10.0 111.257 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -107.45 122.41 46.57 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.252 -0.431 . . . . 10.0 110.096 179.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 2.3 m -133.27 165.74 31.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.36 -0.382 . . . . 10.0 111.177 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 2.7 t -113.14 63.34 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.303 0.573 . . . . 10.0 110.315 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 22.1 mt -75.37 137.62 22.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.032 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 63.67 3.74 1.63 Allowed 'General case' 0 N--CA 1.474 0.746 0 O-C-N 123.615 0.572 . . . . 10.0 112.35 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 98.92 2.9 57.09 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.696 -0.764 . . . . 10.0 112.351 -179.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -117.99 135.99 53.81 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.884 0.342 . . . . 10.0 110.588 179.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 2.1 m -68.92 119.96 14.06 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.455 -0.572 . . . . 10.0 109.455 179.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -127.89 146.91 50.47 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.321 -0.399 . . . . 10.0 111.291 -178.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 42.6 tp -105.26 114.91 29.38 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.145 -0.687 . . . . 10.0 109.145 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 46.5 mt -85.88 124.13 32.01 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.122 -0.49 . . . . 10.0 111.666 -179.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -107.23 79.96 1.37 Allowed 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.222 -1.029 . . . . 10.0 108.222 178.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 6.3 mt -84.11 144.38 10.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.544 -0.753 . . . . 10.0 111.265 -177.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 23.3 tp -141.99 115.17 8.82 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.213 -0.449 . . . . 10.0 111.465 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -98.64 117.99 34.34 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 109.264 -0.643 . . . . 10.0 109.264 178.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 1.2 p -111.16 167.78 10.01 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.688 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.06 155.85 40.0 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.185 0.517 . . . . 10.0 111.585 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -138.4 40.07 1.51 Allowed Glycine 0 N--CA 1.447 -0.571 0 CA-C-N 115.992 -0.549 . . . . 10.0 111.897 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -104.96 21.4 17.12 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.632 0.253 . . . . 10.0 110.6 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 65.69 177.45 0.21 Allowed 'General case' 0 N--CA 1.462 0.175 0 N-CA-C 112.817 0.673 . . . . 10.0 112.817 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 69.88 27.42 4.51 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.948 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -120.55 31.63 6.36 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.107 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.48 -44.42 65.62 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.269 -0.878 . . . . 10.0 113.324 -178.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.58 -11.69 50.78 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 112.557 0.577 . . . . 10.0 112.557 -178.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 28.2 ttt -94.01 -41.8 9.37 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.55 -0.296 . . . . 10.0 111.648 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 4.4 ttp180 -59.83 -46.6 88.74 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.377 -0.374 . . . . 10.0 111.737 -179.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -59.27 -23.08 62.08 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 112.487 0.551 . . . . 10.0 112.487 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -70.03 -64.89 0.8 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.312 0.486 . . . . 10.0 112.312 -178.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 49.5 p90 -70.87 -17.17 62.73 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 112.455 0.539 . . . . 10.0 112.455 -178.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 10.6 mtt -69.55 -23.9 63.64 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.939 0.399 . . . . 10.0 111.058 179.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 44.3 ttm180 -75.03 -43.23 54.81 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.101 -0.499 . . . . 10.0 110.036 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.12 -31.26 58.55 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.838 -0.619 . . . . 10.0 111.011 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -55.89 125.41 37.05 Favored Glycine 0 C--N 1.331 0.302 0 CA-C-N 116.045 -0.525 . . . . 10.0 113.135 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -92.83 -42.37 9.57 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.916 0.389 . . . . 10.0 110.193 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -120.91 135.19 10.61 Favored Glycine 0 N--CA 1.445 -0.74 0 N-CA-C 110.909 -0.876 . . . . 10.0 110.909 179.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -112.53 120.47 41.71 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.4 0.619 . . . . 10.0 112.435 -179.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 10.8 tp -100.9 112.19 24.56 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.523 -0.762 . . . . 10.0 109.39 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 11.9 m -92.47 100.43 12.98 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.983 -0.553 . . . . 10.0 109.986 -179.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 77.2 t -102.31 125.44 56.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.853 0.359 . . . . 10.0 111.07 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 38.7 p90 -133.29 163.31 29.6 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.084 -0.507 . . . . 10.0 109.817 179.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -100.69 129.74 46.64 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 110.074 -0.343 . . . . 10.0 110.074 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 28.7 pt -68.55 -9.97 12.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 112.152 0.427 . . . . 10.0 112.152 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 20.6 p-10 -106.52 13.09 28.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.42 179.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -140.34 98.66 3.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.251 -0.432 . . . . 10.0 110.179 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.3 -30.72 69.66 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.809 0.67 . . . . 10.0 112.809 -178.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 22.2 tptp -62.31 -47.68 83.19 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.968 -0.293 . . . . 10.0 111.437 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 89.7 p -61.0 -27.45 68.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.388 -0.369 . . . . 10.0 110.934 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -72.47 -40.19 67.14 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.264 179.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -75.27 -34.44 61.35 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.954 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.35 -30.53 64.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.917 -0.583 . . . . 10.0 111.812 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 41.9 mm -60.66 -37.06 74.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.135 -0.484 . . . . 10.0 111.334 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 48.8 t60 -59.87 -49.0 79.41 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.054 0.454 . . . . 10.0 110.008 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -67.22 -35.19 79.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.7 -0.682 . . . . 10.0 110.398 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -62.35 -44.29 96.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.788 -0.642 . . . . 10.0 109.879 179.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 20.9 ttt180 -62.68 -42.37 99.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.079 -0.51 . . . . 10.0 110.766 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -61.45 -36.76 81.29 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.714 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -67.97 -40.06 83.23 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.564 -0.532 . . . . 10.0 109.564 178.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 88.0 mt -59.98 -45.21 95.62 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-O 121.047 0.451 . . . . 10.0 110.155 179.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 19.5 mtmt -64.36 -22.95 67.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.309 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -84.64 -50.63 7.49 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.411 -0.359 . . . . 10.0 111.093 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 47.1 t -59.04 -57.28 12.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.0 -0.546 . . . . 10.0 111.941 -179.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -79.25 -11.66 59.95 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.41 -0.359 . . . . 10.0 111.511 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 17.3 t0 56.11 32.94 21.03 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.642 0.734 . . . . 10.0 110.545 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 12.0 m -133.16 143.57 49.32 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.582 -0.735 . . . . 10.0 111.023 -178.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -92.69 -30.34 15.61 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.189 0.519 . . . . 10.0 110.053 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -92.27 82.54 4.97 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.833 -0.621 . . . . 10.0 110.738 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 70.9 t -123.06 130.7 24.49 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 115.695 -0.684 . . . . 10.0 109.69 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -62.61 109.42 0.88 Allowed 'Trans proline' 0 C--O 1.234 0.301 0 C-N-CA 123.094 2.529 . . . . 10.0 112.089 179.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 22.6 mtm -133.58 149.17 51.64 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.945 -0.57 . . . . 10.0 109.687 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 60.5 t -133.32 142.44 41.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 109.697 -0.483 . . . . 10.0 109.697 179.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 15.6 tp -99.31 118.88 36.95 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.96 0.409 . . . . 10.0 110.506 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 85.7 t -114.75 113.12 42.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.222 -0.444 . . . . 10.0 111.391 -179.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -93.28 97.98 2.31 Favored Glycine 0 N--CA 1.45 -0.396 0 N-CA-C 110.481 -1.048 . . . . 10.0 110.481 178.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -89.19 174.39 7.88 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.827 0.346 . . . . 10.0 111.841 -178.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 16.1 mmtt 67.75 24.77 8.21 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.608 -0.724 . . . . 10.0 111.538 179.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 53.7 m -68.87 -13.47 62.44 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.195 -0.457 . . . . 10.0 111.618 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.03 -25.04 55.29 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.449 179.096 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 85.1 mt -79.77 132.84 59.92 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.868 -0.605 . . . . 10.0 110.891 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -77.66 169.27 21.15 Favored 'Trans proline' 0 N--CA 1.459 -0.511 0 C-N-CA 123.103 2.535 . . . . 10.0 111.403 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 16.3 m 62.14 54.45 2.69 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.495 0.664 . . . . 10.0 111.732 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 1.4 ptp180 -73.41 148.16 43.57 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.444 -0.798 . . . . 10.0 110.666 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -97.53 -43.73 7.12 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.538 -0.541 . . . . 10.0 109.538 178.495 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 47.5 t -85.1 110.04 18.84 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-N 115.745 -0.661 . . . . 10.0 109.658 179.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -77.74 153.2 33.16 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.76 -0.654 . . . . 10.0 110.37 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 1.8 m -60.36 -34.25 73.59 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.469 -0.332 . . . . 10.0 111.177 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -52.11 66.94 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 112.656 0.613 . . . . 10.0 112.656 -179.084 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -67.82 -34.6 77.06 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.041 0.386 . . . . 10.0 112.041 -178.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.54 -46.75 84.57 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.326 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -73.93 -28.25 61.43 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.737 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -66.45 -42.11 88.12 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.088 -0.506 . . . . 10.0 110.628 179.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 34.4 tp -71.0 -44.34 66.12 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.208 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.2 -21.95 66.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.883 -0.599 . . . . 10.0 111.805 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -61.62 -41.67 97.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.017 0.437 . . . . 10.0 111.283 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 19.4 m -77.82 -6.74 55.17 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.095 -0.502 . . . . 10.0 111.262 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 22.7 m-30 -100.26 -19.65 16.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.019 0.437 . . . . 10.0 110.268 179.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 77.9 16.43 79.94 Favored Glycine 0 N--CA 1.449 -0.492 0 N-CA-C 111.55 -0.62 . . . . 10.0 111.55 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 27.0 pt -106.16 149.44 38.16 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 120.674 0.273 . . . . 10.0 110.966 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -84.59 144.57 10.14 Favored 'Trans proline' 0 C--O 1.236 0.407 0 C-N-CA 122.858 2.372 . . . . 10.0 112.182 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -121.28 122.22 39.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.782 -0.645 . . . . 10.0 110.416 178.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 5.1 mp -125.53 125.78 69.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.471 -0.332 . . . . 10.0 110.457 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -67.11 128.22 35.54 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.962 -0.384 . . . . 10.0 109.962 178.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.64 146.67 50.47 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.205 0.526 . . . . 10.0 112.327 -178.393 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 4.1 m -127.11 115.76 19.64 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.741 -0.837 . . . . 10.0 108.741 179.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -69.02 -26.21 64.88 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.867 0.692 . . . . 10.0 112.867 -178.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 27.0 ttmt -68.25 -57.54 5.82 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.151 0.426 . . . . 10.0 112.151 -178.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 1.9 p -81.16 -16.66 52.26 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.744 0.276 . . . . 10.0 111.744 -178.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 65.83 10.88 7.22 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.656 -0.702 . . . . 10.0 112.107 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -70.18 113.84 7.75 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.494 -0.775 . . . . 10.0 111.125 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 91.16 -0.6 75.75 Favored Glycine 0 N--CA 1.447 -0.582 0 CA-C-N 115.76 -0.655 . . . . 10.0 112.803 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 91.3 t -72.44 -38.17 59.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.968 0.384 . . . . 10.0 111.434 -179.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.51 -51.32 67.88 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.165 -0.471 . . . . 10.0 111.309 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -70.74 -23.39 62.42 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.893 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -58.72 -47.53 84.25 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.834 0.349 . . . . 10.0 111.351 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -69.19 -29.49 67.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.21 0.528 . . . . 10.0 110.734 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 16.4 m-30 -67.48 -29.0 68.33 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.821 -0.627 . . . . 10.0 111.061 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 1.7 m -61.41 -47.03 87.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.982 -179.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 14.1 tp -60.62 -40.72 92.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.934 0.397 . . . . 10.0 111.125 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 47.8 t -64.78 -39.23 84.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.029 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.64 -37.03 85.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.258 179.613 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -62.58 -37.64 86.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.0 0.429 . . . . 10.0 110.082 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 57.9 mt -73.03 -37.7 53.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.055 -0.521 . . . . 10.0 109.96 179.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 57.7 mtt180 -68.02 -41.33 82.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.985 -0.552 . . . . 10.0 111.047 179.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -66.52 -22.97 66.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 10.0 111.17 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 24.1 t-80 -57.29 -34.37 68.62 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 115.683 -0.689 . . . . 10.0 110.228 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -62.87 -52.92 61.24 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.612 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -65.16 -37.0 85.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.77 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -64.2 -39.89 94.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.176 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 6.5 mmt -69.43 -23.15 63.65 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.985 -0.552 . . . . 10.0 111.398 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 10.0 m -71.13 -32.05 68.5 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.569 -0.53 . . . . 10.0 109.569 179.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -85.91 -37.35 19.18 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 115.772 -0.649 . . . . 10.0 109.708 179.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 173' ' ' ASP . . . . . . . . . . . . . 31.0 t70 60.02 -97.13 0.07 Allowed 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.403 -0.817 . . . . 10.0 111.545 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . -149.18 16.5 1.16 Allowed Glycine 0 N--CA 1.445 -0.748 0 N-CA-C 110.915 -0.874 . . . . 10.0 110.915 179.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 175' ' ' LYS . . . . . . . . . . . . . 13.1 ptpt -100.33 -161.56 0.88 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.563 -0.319 . . . . 10.0 111.014 -179.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 176' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp 64.91 23.43 12.61 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.321 0.581 . . . . 10.0 111.412 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 177' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -93.49 -146.51 0.24 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.443 -0.798 . . . . 10.0 109.394 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 69.09 26.12 5.66 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.056 0.455 . . . . 10.0 111.145 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 179' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -134.84 78.71 1.75 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.089 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 7.3 tptp -140.01 -31.58 0.65 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.672 -0.695 . . . . 10.0 111.408 -179.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 13.2 m -117.07 55.8 0.83 Allowed 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 121.41 0.624 . . . . 10.0 110.631 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 14.5 pttp -86.2 -39.73 16.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.661 -0.7 . . . . 10.0 112.151 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.42 144.63 44.22 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 121.259 -0.176 . . . . 10.0 110.725 -179.559 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 184' ' ' LYS . . . . . 0.425 ' N ' ' C6 ' ' A' ' 409' ' ' PCW . 0.0 OUTLIER . . . . . 0 N--CA 1.468 0.432 0 N-CA-C 111.904 0.335 . . . . 10.0 111.904 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 19.4 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.755 0.312 . . . . 10.0 110.58 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 3.4 m -111.96 134.94 53.21 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.249 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 49.4 tt0 -94.55 133.2 38.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.69 -0.232 . . . . 10.0 110.835 -179.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -128.22 115.56 18.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.316 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 56.1 mttm -85.2 112.08 20.4 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.114 0.483 . . . . 10.0 110.814 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 11.8 mt -109.63 121.98 46.41 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.61 -0.723 . . . . 10.0 111.338 -178.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 59.9 t -105.46 118.23 52.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.242 -0.435 . . . . 10.0 110.004 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 20.2 t -91.95 105.93 17.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 109.57 -0.53 . . . . 10.0 109.57 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 4.0 m -104.05 154.75 5.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.224 0.535 . . . . 10.0 111.464 -179.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.08 164.79 16.6 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 121.004 -0.617 . . . . 10.0 111.706 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.92 -167.03 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.248 0.547 . . . . 10.0 111.442 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -84.32 149.02 26.33 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.003 -0.544 . . . . 10.0 111.433 -179.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 57.18 29.4 59.78 Favored Glycine 0 CA--C 1.521 0.468 0 N-CA-C 114.772 0.669 . . . . 10.0 114.772 179.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 20.6 m -88.79 -31.12 5.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 117.38 0.59 . . . . 10.0 111.795 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . 0.4 ' CA ' ' C8 ' ' C' ' 201' ' ' GSP . . . 115.51 18.84 5.98 Favored Glycine 0 CA--C 1.518 0.242 0 C-N-CA 120.781 -0.724 . . . . 10.0 113.433 179.539 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -60.84 -50.5 73.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.312 0.577 . . . . 10.0 110.629 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 33.7 m -66.91 -42.29 85.66 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.486 -0.779 . . . . 10.0 110.954 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.25 -45.79 87.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.421 -0.354 . . . . 10.0 111.078 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 65.2 mt -65.27 -46.45 80.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.884 0.374 . . . . 10.0 110.983 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 27.8 m -63.33 -42.77 98.99 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.885 -0.598 . . . . 10.0 111.637 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 73.5 mt -63.48 -36.07 74.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 110.006 -0.368 . . . . 10.0 110.006 179.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -65.47 -36.08 82.83 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.116 0.484 . . . . 10.0 110.209 178.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 24.0 tp -76.95 -35.6 57.15 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.329 -0.396 . . . . 10.0 111.627 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 50.8 mm -85.88 -61.1 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 112.904 0.705 . . . . 10.0 112.904 -178.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -88.68 -9.4 52.16 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 112.138 0.422 . . . . 10.0 112.138 -178.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 67.97 32.63 5.0 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 114.629 1.344 . . . . 10.0 114.629 178.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -151.27 154.68 37.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.72 0.295 . . . . 10.0 111.114 178.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -102.27 130.33 48.94 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.2 -0.454 . . . . 10.0 110.723 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 4.8 m -104.84 125.71 59.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.86 -0.609 . . . . 10.0 109.597 178.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -79.9 -14.25 58.77 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.413 0.625 . . . . 10.0 110.864 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -77.79 136.01 38.06 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.505 -0.771 . . . . 10.0 110.097 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -79.79 119.59 22.89 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.946 0.403 . . . . 10.0 111.017 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -100.0 115.97 65.05 Favored Pre-proline 0 C--O 1.237 0.433 0 CA-C-N 115.73 -0.668 . . . . 10.0 110.492 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -78.09 70.1 7.24 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.946 2.43 . . . . 10.0 110.863 179.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 35' ' ' THR . . . . . 0.401 ' OG1' ' O3G' ' C' ' 201' ' ' GSP . 0.2 OUTLIER -69.3 134.31 48.95 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.501 -0.772 . . . . 10.0 111.715 -179.487 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 44.6 mm -107.62 -47.1 7.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 108.266 -1.013 . . . . 10.0 108.266 178.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -163.61 96.68 0.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.344 -0.844 . . . . 10.0 109.862 178.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -126.95 127.43 44.84 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.412 -0.358 . . . . 10.0 110.727 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 2.4 p -99.92 147.7 25.27 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.279 -0.419 . . . . 10.0 111.413 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -138.88 132.39 30.36 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.5 -0.556 . . . . 10.0 109.5 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -114.96 134.28 55.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.748 0.308 . . . . 10.0 111.038 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 50.4 tttp -143.45 143.21 31.5 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.471 -0.566 . . . . 10.0 109.471 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -117.5 109.99 17.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.639 0.256 . . . . 10.0 110.518 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 2.8 m -130.59 164.61 33.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.336 0.588 . . . . 10.0 111.448 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 47.7 t -93.48 94.88 4.89 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 115.669 -0.696 . . . . 10.0 109.877 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 29.5 mm -77.09 100.79 2.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 108.076 -1.083 . . . . 10.0 108.076 178.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 69.01 -97.4 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.555 -0.748 . . . . 10.0 109.857 -178.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . -124.67 12.48 7.82 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.75 -0.738 . . . . 10.0 111.869 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -125.74 132.82 52.27 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.829 0.347 . . . . 10.0 111.125 -179.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -78.54 121.95 25.27 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.751 -0.833 . . . . 10.0 108.751 177.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 4.0 m -125.44 141.68 51.92 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 112.531 0.567 . . . . 10.0 112.531 -178.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 53.7 tp -97.54 117.56 32.07 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.369 -0.974 . . . . 10.0 108.369 177.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 10.1 mt -88.88 121.09 30.89 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.462 0.648 . . . . 10.0 112.193 -178.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -103.89 81.97 1.93 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.479 -1.304 . . . . 10.0 107.479 177.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 6.4 mt -89.03 148.15 4.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.495 -0.775 . . . . 10.0 111.883 -177.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 16.6 tp -148.39 125.48 11.4 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.73 -0.668 . . . . 10.0 110.0 179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -84.26 138.82 32.74 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 109.841 -0.429 . . . . 10.0 109.841 178.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 25.0 p -99.42 165.97 11.4 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.246 -0.434 . . . . 10.0 111.211 -178.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -88.4 119.74 29.12 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.015 -0.539 . . . . 10.0 109.716 178.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -92.21 11.9 70.97 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.913 -0.66 . . . . 10.0 112.728 -179.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -85.32 2.87 42.29 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.991 0.367 . . . . 10.0 111.991 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 62.66 -158.54 0.32 Allowed 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 109.781 -0.451 . . . . 10.0 109.781 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 71.5 -42.58 0.54 Allowed 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 113.171 0.804 . . . . 10.0 113.171 179.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 70.5 m-85 -77.33 61.24 2.14 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.096 0.406 . . . . 10.0 112.096 -179.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.42 -37.61 77.52 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-O 120.836 0.35 . . . . 10.0 110.331 179.292 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.84 -39.23 51.92 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.494 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 8.9 ttt -62.95 -37.37 86.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.832 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 68' ' ' ARG . . . . . . . . . . . . . 17.6 ttp180 -64.21 -37.58 87.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.035 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.52 -33.45 71.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.884 -0.598 . . . . 10.0 111.303 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -60.7 -62.29 1.97 Allowed 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.818 0.673 . . . . 10.0 112.818 -179.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 71' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -73.73 -16.18 61.19 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 112.95 0.722 . . . . 10.0 112.95 -179.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 18.3 mtt -67.07 -32.38 73.51 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-O 121.131 0.491 . . . . 10.0 110.567 179.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 33.7 ttm105 -78.22 -32.46 49.87 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.297 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.97 -50.22 17.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.0 -0.545 . . . . 10.0 111.69 -179.512 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -61.74 140.07 47.0 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 121.131 -0.557 . . . . 10.0 113.774 -178.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -95.89 -51.27 4.54 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.171 0.51 . . . . 10.0 110.082 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -106.02 132.55 11.18 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.466 -0.788 . . . . 10.0 111.627 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 78' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -109.34 129.6 55.52 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.207 0.527 . . . . 10.0 111.625 -179.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 12.4 tp -109.29 107.4 17.61 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.69 -0.686 . . . . 10.0 109.661 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 47.7 m -87.15 96.4 10.3 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.379 0.609 . . . . 10.0 111.423 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 92.2 t -95.97 122.06 47.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.501 -0.772 . . . . 10.0 110.134 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 29.2 p90 -132.9 151.97 51.96 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.406 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -90.27 123.99 34.51 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.109 -0.7 . . . . 10.0 109.109 179.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 84' ' ' ILE . . . . . . . . . . . . . 27.6 pt -67.9 -11.87 14.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 112.765 0.654 . . . . 10.0 112.765 -179.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 20.6 p-10 -95.63 12.77 28.53 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.287 0.565 . . . . 10.0 110.344 178.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -140.53 105.03 4.88 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.64 -0.709 . . . . 10.0 110.374 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -61.04 -34.88 75.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.984 -179.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -55.83 -43.76 77.28 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.355 -0.384 . . . . 10.0 111.09 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 18.8 m -65.0 -32.56 74.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.055 -0.521 . . . . 10.0 110.987 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -73.11 -34.26 66.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.888 0.375 . . . . 10.0 111.236 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -77.01 -32.53 57.22 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.081 0.467 . . . . 10.0 110.548 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.36 -28.2 69.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.515 -0.766 . . . . 10.0 111.506 179.385 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 51.2 mm -52.1 -41.78 33.5 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-N 115.876 -0.602 . . . . 10.0 111.499 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 62.7 t60 -60.56 -54.37 46.26 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.959 -0.564 . . . . 10.0 111.135 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 62.3 m-70 -62.42 -38.71 90.77 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.918 -179.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -61.77 -44.99 95.8 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.819 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -66.02 -41.16 91.32 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.998 -0.546 . . . . 10.0 111.332 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -61.94 -42.51 99.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.117 -0.492 . . . . 10.0 111.59 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -64.27 -43.6 94.33 Favored 'General case' 0 C--O 1.226 -0.177 0 C-N-CA 120.768 -0.373 . . . . 10.0 110.593 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 92.9 mt -54.38 -48.53 68.42 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-O 121.271 0.558 . . . . 10.0 110.141 179.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 35.0 mtmt -63.36 -38.64 91.94 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.402 -0.817 . . . . 10.0 111.398 -179.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -70.31 -46.13 64.88 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.17 -0.468 . . . . 10.0 111.361 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 87.3 t -62.13 -52.6 58.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.332 -0.394 . . . . 10.0 111.723 -179.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -80.16 -6.68 58.19 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.618 -0.264 . . . . 10.0 111.65 -179.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 5.6 t70 53.05 51.53 15.59 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.461 0.648 . . . . 10.0 110.841 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 4.8 m -145.03 158.91 43.67 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.619 -0.719 . . . . 10.0 110.102 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 26.8 tp10 -107.81 -28.42 9.67 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.378 0.609 . . . . 10.0 110.356 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.81 91.34 3.95 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.436 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 55.1 t -118.24 128.92 25.69 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.001 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -59.18 105.43 0.24 Allowed 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.753 2.302 . . . . 10.0 111.713 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 111' ' ' MET . . . . . . . . . . . . . 58.4 mtm -134.55 157.01 47.65 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.802 -179.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 45.1 t -142.36 132.01 22.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.543 -0.539 . . . . 10.0 109.543 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 22.5 tp -91.29 121.9 33.44 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.949 -0.389 . . . . 10.0 109.949 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 83.9 t -118.57 117.28 54.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.17 -0.468 . . . . 10.0 111.552 -178.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -91.83 112.3 4.16 Favored Glycine 0 N--CA 1.446 -0.685 0 N-CA-C 110.358 -1.097 . . . . 10.0 110.358 178.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 116' ' ' ASN . . . . . 0.413 ' ND2' ' N7 ' ' C' ' 201' ' ' GSP . 63.2 t30 -96.13 164.39 12.7 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.674 0.237 . . . . 10.0 111.214 -178.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 95.2 mttt 65.27 33.11 9.43 Favored 'General case' 0 C--O 1.234 0.239 0 O-C-N 123.793 0.683 . . . . 10.0 111.648 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 118' ' ' CYS . . . . . . . . . . . . . 90.3 m -73.39 -8.09 54.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.2 -0.455 . . . . 10.0 112.126 -179.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -95.47 -5.56 42.68 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.795 0.331 . . . . 10.0 110.109 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 17.7 mt -87.01 127.77 58.27 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 10.0 110.746 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -67.31 158.33 57.51 Favored 'Trans proline' 0 C--O 1.237 0.431 0 C-N-CA 122.709 2.273 . . . . 10.0 112.253 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 50.4 m 63.55 59.62 1.19 Allowed 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.751 -0.659 . . . . 10.0 111.589 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 12.5 ptt180 -85.48 128.16 34.65 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 116.143 -0.481 . . . . 10.0 110.174 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.85 -45.85 63.73 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.613 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 57.5 t -84.77 123.82 39.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.275 -0.42 . . . . 10.0 110.232 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -92.67 151.69 19.95 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.19 -0.459 . . . . 10.0 109.947 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 1.6 m -56.2 -36.42 68.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.375 -0.375 . . . . 10.0 111.709 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 33.4 mttp -54.91 -51.82 64.83 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.308 -0.406 . . . . 10.0 112.025 -179.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -72.4 -31.19 65.32 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.008 0.432 . . . . 10.0 111.431 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.49 -42.31 92.31 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.038 0.447 . . . . 10.0 109.944 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -73.47 -27.81 61.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.02 179.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -64.0 -47.65 79.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.216 178.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 27.0 tp -64.53 -38.94 92.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.697 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.76 -34.8 79.18 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.428 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 -60.95 -46.06 92.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.681 -0.69 . . . . 10.0 110.874 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 69.3 m -64.6 -37.39 87.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.038 0.447 . . . . 10.0 111.641 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 9.4 m-30 -79.27 -21.1 46.57 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 116.358 -0.383 . . . . 10.0 111.753 -178.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 75.11 30.92 58.3 Favored Glycine 0 N--CA 1.452 -0.29 0 N-CA-C 111.073 -0.811 . . . . 10.0 111.073 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 43.7 pt -120.73 154.86 57.49 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 115.396 -0.402 . . . . 10.0 110.457 -179.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -78.02 143.67 20.66 Favored 'Trans proline' 0 N--CA 1.462 -0.358 0 C-N-CA 122.921 2.414 . . . . 10.0 112.156 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -122.16 134.05 54.73 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.605 -0.517 . . . . 10.0 109.605 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 79.0 mt -135.73 133.61 51.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.802 0.334 . . . . 10.0 110.729 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -85.4 125.88 33.34 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 108.782 -0.822 . . . . 10.0 108.782 178.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 76.4 p -133.83 177.61 7.59 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.205 0.526 . . . . 10.0 112.037 -178.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 6.2 t -152.74 130.27 11.46 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.815 -0.809 . . . . 10.0 108.815 179.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -71.26 -21.43 62.1 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.152 0.501 . . . . 10.0 110.619 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 18.5 ttmt -81.01 -58.43 3.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.701 -0.681 . . . . 10.0 111.648 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -73.81 -22.68 59.71 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 113.314 0.857 . . . . 10.0 113.314 -177.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 15.4 tpt180 68.49 17.37 9.09 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 122.128 0.966 . . . . 10.0 109.703 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -80.14 125.47 29.86 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.149 -0.932 . . . . 10.0 111.512 -179.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 71.67 -2.57 22.72 Favored Glycine 0 C--N 1.333 0.403 0 CA-C-N 116.011 -0.54 . . . . 10.0 114.372 178.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 72.8 t -63.62 -48.44 86.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 111.977 0.362 . . . . 10.0 111.977 -178.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.35 -38.93 91.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.785 0.326 . . . . 10.0 110.442 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -64.27 -41.36 96.95 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -62.88 -45.46 92.44 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.668 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -64.17 -44.15 92.95 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.807 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -62.44 -39.99 95.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.531 179.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 84.1 m -59.04 -42.78 91.08 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.96 -0.563 . . . . 10.0 111.992 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 45.5 tp -61.52 -43.67 98.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.959 0.409 . . . . 10.0 110.538 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 46.5 t -65.28 -38.71 83.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.889 -0.596 . . . . 10.0 109.837 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -63.47 -38.09 89.81 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.701 -0.682 . . . . 10.0 110.995 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -61.87 -42.65 99.31 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.472 -0.331 . . . . 10.0 110.753 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 41.8 mt -64.42 -45.0 97.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-N 116.31 -0.405 . . . . 10.0 110.349 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 27.3 ttm180 -65.16 -38.13 89.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.996 0.427 . . . . 10.0 110.033 179.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -64.79 -43.48 93.07 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.644 -0.707 . . . . 10.0 109.545 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -56.83 -45.24 82.46 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.901 -0.59 . . . . 10.0 110.591 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -58.41 -47.72 83.0 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.211 -0.449 . . . . 10.0 110.638 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -62.48 -49.29 75.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.475 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 50.6 mtpt -60.21 -39.04 85.19 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.079 -0.51 . . . . 10.0 111.027 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 4.8 mmm -69.15 -29.55 67.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.994 -0.548 . . . . 10.0 111.318 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 31.2 m -69.83 -16.6 63.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.968 0.413 . . . . 10.0 111.011 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 18.4 mttm -101.37 -4.01 27.73 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.579 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 173' ' ' ASP . . . . . . . . . . . . . 16.9 t70 70.93 -66.82 0.28 Allowed 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.39 -0.823 . . . . 10.0 112.162 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . 157.33 -157.35 28.03 Favored Glycine 0 N--CA 1.443 -0.865 0 N-CA-C 111.141 -0.784 . . . . 10.0 111.141 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 175' ' ' LYS . . . . . . . . . . . . . 39.1 mttp -96.95 122.82 40.36 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.876 -0.416 . . . . 10.0 109.876 179.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 176' ' ' LYS . . . . . . . . . . . . . 37.0 tttp -99.11 7.63 45.68 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.176 0.512 . . . . 10.0 110.871 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 177' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -77.4 -88.82 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.093 -0.503 . . . . 10.0 112.349 -179.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 178' ' ' LYS . . . . . 0.639 ' HZ3' ' C3 ' ' C' ' 215' ' ' 17F . 15.1 mtmt 60.29 30.83 20.16 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.563 0.696 . . . . 10.0 110.752 -179.471 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 179' ' ' LYS . . . . . . . . . . . . . 46.9 tttp -93.02 74.76 4.75 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.308 -0.86 . . . . 10.0 111.121 -179.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 180' ' ' LYS . . . . . . . . . . . . . 55.7 tttt -137.2 90.04 2.49 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.852 -0.796 . . . . 10.0 108.852 178.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 14.8 m -133.02 113.64 13.04 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.237 -179.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 182' ' ' LYS . . . . . . . . . . . . . 34.0 mtmt -135.4 175.26 9.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.793 -0.64 . . . . 10.0 109.884 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 11.4 t -146.54 30.19 1.01 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.799 0.809 . . . . 10.0 109.191 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 184' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt . . . . . 0 C--O 1.237 0.408 0 CA-C-N 115.012 -0.995 . . . . 10.0 109.746 -178.392 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 401' ' ' PCW . . . . . 0.547 ' C6 ' ' O31' ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 402' ' ' PCW . . . . . 0.685 ' C35' ' O31' ' A' ' 402' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 403' ' ' PCW . . . . . 0.786 ' C31' ' C36' ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 404' ' ' PCW . . . . . 0.711 ' O31' ' C35' ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 405' ' ' PCW . . . . . 0.653 ' C36' ' C44' ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 406' ' ' PCW . . . . . 0.493 ' O3P' ' O31' ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 407' ' ' PCW . . . . . 0.836 ' C21' ' C17' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 408' ' ' PCW . . . . . 0.65 ' C3 ' ' O2P' ' A' ' 408' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 409' ' ' PCW . . . . . 0.787 ' C14' ' C19' ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 410' ' ' PCW . . . . . 0.552 ' C4 ' ' O2P' ' A' ' 402' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 411' ' ' PCW . . . . . 0.653 ' C44' ' C36' ' A' ' 405' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 412' ' ' PCW . . . . . 0.413 ' O3 ' ' C31' ' A' ' 412' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 413' ' ' PCW . . . . . 0.558 ' O1P' ' P ' ' C' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 414' ' ' PCW . . . . . 0.634 ' C18' ' C14' ' A' ' 414' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 415' ' ' 17F . . . . . 0.656 ' C2 ' ' O1 ' ' A' ' 415' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 416' ' ' 17F . . . . . 0.502 ' C17' ' C7 ' ' A' ' 416' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 417' ' ' PCW . . . . . 0.562 ' O31' ' O3P' ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 418' ' ' PCW . . . . . 0.589 ' C6 ' ' O4P' ' A' ' 418' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 419' ' ' PCW . . . . . 0.465 ' C40' ' C44' ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 420' ' ' PCW . . . . . 0.562 ' C37' ' C43' ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 421' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 422' ' ' 17F . . . . . 0.528 ' O9 ' ' O8 ' ' A' ' 422' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 601' ' ' PCW . . . . . 0.668 ' C42' ' C46' ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 602' ' ' PCW . . . . . 0.59 ' C5 ' ' O10' ' C' ' 214' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 603' ' ' PCW . . . . . 0.529 ' C2 ' ' C4 ' ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 604' ' ' PCW . . . . . 0.632 ' C11' ' C31' ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 605' ' ' PCW . . . . . 0.543 ' O31' ' P ' ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 606' ' ' PCW . . . . . 0.637 ' C14' ' C18' ' D' ' 606' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 607' ' ' PCW . . . . . 0.537 ' C11' ' O31' ' D' ' 607' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 608' ' ' PCW . . . . . 0.509 ' C2 ' ' O11' ' D' ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 609' ' ' PCW . . . . . 0.561 ' C11' ' O31' ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 610' ' ' PCW . . . . . 0.595 ' C20' ' C24' ' D' ' 610' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 611' ' ' PCW . . . . . 0.479 ' C11' ' C31' ' D' ' 611' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 612' ' ' PCW . . . . . 0.531 ' C32' ' C35' ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 613' ' ' PCW . . . . . 0.533 ' O31' ' C11' ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 614' ' ' PCW . . . . . 0.524 ' O31' ' C1 ' ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 615' ' ' PCW . . . . . 0.618 ' C46' ' C42' ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 616' ' ' PCW . . . . . 0.518 ' C7 ' ' C12' ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 617' ' ' PCW . . . . . 0.599 ' C3 ' ' O2P' ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 618' ' ' PCW . . . . . 0.651 ' C23' ' C27' ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 619' ' ' PCW . . . . . 0.517 ' C14' ' C39' ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 620' ' ' PCW . . . . . 0.411 ' O4P' ' C8 ' ' D' ' 620' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 621' ' ' PCW . . . . . 0.486 ' O11' ' C6 ' ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 622' ' ' PCW . . . . . 0.562 ' C14' ' C18' ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 623' ' ' PCW . . . . . 0.713 ' C32' ' C36' ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 624' ' ' PCW . . . . . 0.658 ' C24' ' C20' ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 625' ' ' PCW . . . . . 0.616 ' C15' ' C19' ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 626' ' ' PCW . . . . . 0.633 ' C23' ' C27' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 627' ' ' PCW . . . . . 0.501 ' C11' ' O2 ' ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 628' ' ' 17F . . . . . 0.623 ' C31' ' C19' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 629' ' ' 17F . . . . . 0.567 ' O10' ' O7 ' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 630' ' ' 17F . . . . . 0.421 ' O10' ' O6 ' ' D' ' 630' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 631' ' ' 17F . . . . . 0.557 ' O10' ' O7 ' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 632' ' ' 17F . . . . . 0.513 ' C6 ' ' O10' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 201' ' ' GSP . . . . . 0.634 ' O3G' 'MG ' ' B' ' 202' ' ' ' MG' . . . . . . . . 0 O4'--C1' 1.439 2.061 2 O4'-C1'-N19 113.038 4.838 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 202' ' ' ' MG' . . . . . 0.634 'MG ' ' O3G' ' B' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 203' ' ' PCW . . . . . 0.49 ' C11' ' O31' ' B' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 204' ' ' PCW . . . . . 0.628 ' C23' ' C27' ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 205' ' ' PCW . . . . . 0.701 ' C3 ' ' P ' ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 206' ' ' PCW . . . . . 0.595 ' C6 ' ' O4P' ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 207' ' ' PCW . . . . . 0.547 ' O31' ' C6 ' ' A' ' 401' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 208' ' ' PCW . . . . . 0.656 ' C43' ' C47' ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 209' ' ' 17F . . . . . 0.673 ' C31' ' C19' ' B' ' 209' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 211' ' ' 17F . . . . . 0.672 ' C17' ' C7 ' ' B' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 201' ' ' GSP . . . . . 0.639 ' O3G' 'MG ' ' C' ' 202' ' ' ' MG' . . . . . . . . 0 O4'--C1' 1.436 1.859 2 O4'-C1'-N19 113.012 4.812 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 202' ' ' ' MG' . . . . . 0.639 'MG ' ' O3G' ' C' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 203' ' ' PCW . . . . . 0.639 ' C21' ' C25' ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 204' ' ' PCW . . . . . 0.675 ' C42' ' C46' ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 205' ' ' PCW . . . . . 0.459 ' O3 ' ' O31' ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 206' ' ' PCW . . . . . 0.564 ' C20' ' C19' ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 207' ' ' PCW . . . . . 0.598 ' O31' ' C1 ' ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 208' ' ' PCW . . . . . 0.564 ' C19' ' C20' ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 209' ' ' PCW . . . . . 0.672 ' C22' ' C26' ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 210' ' ' PCW . . . . . 0.656 ' C26' ' C22' ' C' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 211' ' ' PCW . . . . . 0.528 ' O2 ' ' O11' ' C' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 212' ' ' PCW . . . . . 0.653 ' C20' ' C24' ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 213' ' ' 17F . . . . . 0.418 ' N1 ' ' O1P' ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 214' ' ' 17F . . . . . 0.59 ' O10' ' C5 ' ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 215' ' ' 17F . . . . . 0.652 ' N1 ' ' O2 ' ' C' ' 215' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 216' ' ' PCW . . . . . 0.473 ' O2 ' ' O11' ' C' ' 216' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 217' ' ' PCW . . . . . 0.581 ' C6 ' ' O4P' ' C' ' 217' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 218' ' ' 17F . . . . . 0.695 ' O7 ' ' C18' ' C' ' 218' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 219' ' ' 17F . . . . . 0.463 ' O10' ' O7 ' ' C' ' 219' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 12.4 mt . . . . . 0 C--O 1.232 0.166 0 CA-C-O 121.049 0.452 . . . . 10.0 110.548 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.81 -40.38 79.82 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.674 -0.694 . . . . 10.0 111.613 -179.191 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 47.3 mt -100.28 16.42 24.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.332 -0.395 . . . . 10.0 111.858 -178.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 67.1 mt -127.03 -53.84 1.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.889 0.376 . . . . 10.0 111.395 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -65.46 -47.54 75.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.832 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -73.76 -24.26 59.84 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.48 179.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 54.0 t90 -70.85 -28.19 64.39 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-N 115.604 -0.726 . . . . 10.0 109.511 179.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -61.05 -41.89 97.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.393 -0.821 . . . . 10.0 110.124 179.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 3.3 m -61.49 -36.99 82.04 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.222 -0.444 . . . . 10.0 110.771 179.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 24.5 t -64.08 -43.01 97.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 108.579 -0.897 . . . . 10.0 108.579 178.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 18.9 m -64.39 -40.25 95.45 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.223 -0.898 . . . . 10.0 110.138 179.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 5.2 m -63.05 -39.8 95.82 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.547 -0.538 . . . . 10.0 109.547 178.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 36.5 m -66.15 -47.55 73.66 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.815 -0.63 . . . . 10.0 110.228 179.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -58.54 -40.2 82.31 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.372 -0.376 . . . . 10.0 111.147 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 16.9 m -64.32 -47.83 77.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 10.0 109.959 179.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp -61.48 -41.13 96.8 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.992 0.425 . . . . 10.0 109.864 179.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 65.7 mt -63.22 -43.17 98.88 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.081 178.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 19.2 mtt180 -64.89 -39.71 93.95 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 123.371 0.42 . . . . 10.0 110.982 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -69.25 -32.58 71.88 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.959 0.409 . . . . 10.0 110.448 179.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -77.91 -30.45 50.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.488 -0.778 . . . . 10.0 110.129 179.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 33.4 mt -55.81 -34.21 65.15 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 115.91 -0.586 . . . . 10.0 111.356 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -55.66 -70.61 0.91 Allowed Glycine 0 C--N 1.332 0.326 0 N-CA-C 111.1 -0.8 . . . . 10.0 111.1 178.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -51.06 -42.15 54.08 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.956 2.437 . . . . 10.0 112.005 178.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 77.7 t -56.69 -55.32 20.32 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 CA-C-O 120.731 0.3 . . . . 10.0 110.958 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 17.7 p -65.77 -37.35 86.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.317 -0.401 . . . . 10.0 110.977 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -58.4 -50.65 72.93 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.095 0.474 . . . . 10.0 111.112 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -71.13 -40.53 71.36 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.907 -0.588 . . . . 10.0 111.34 -179.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -66.22 -40.69 90.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.624 -0.262 . . . . 10.0 111.655 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -61.64 -38.7 88.66 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.765 -0.457 . . . . 10.0 109.765 178.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -67.92 -43.78 78.39 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.584 -0.524 . . . . 10.0 109.584 178.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 -62.21 -40.28 95.58 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.899 -0.591 . . . . 10.0 109.92 178.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 67.9 mt -66.25 -39.73 89.68 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.179 -0.674 . . . . 10.0 109.179 178.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -65.04 -29.92 70.85 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.852 -0.613 . . . . 10.0 111.169 179.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 37.3 mttt -67.55 -39.29 84.96 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.434 -0.951 . . . . 10.0 108.434 177.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.15 -46.63 64.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 114.823 -1.08 . . . . 10.0 110.366 179.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 2.8 p -64.3 -36.46 84.19 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 116.311 -0.404 . . . . 10.0 110.082 179.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -60.38 -46.54 89.62 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 108.277 -1.008 . . . . 10.0 108.277 177.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -58.98 -46.67 93.35 Favored Glycine 0 N--CA 1.44 -1.054 0 N-CA-C 110.245 -1.142 . . . . 10.0 110.245 178.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 71.4 mt -63.98 -29.92 71.04 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.504 0.187 . . . . 10.0 111.504 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 52.7 mtt180 -69.13 -39.29 78.97 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.056 -0.72 . . . . 10.0 109.056 178.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -74.54 -39.48 62.3 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.034 -0.728 . . . . 10.0 109.034 178.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -66.05 -21.79 66.4 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.46 -0.791 . . . . 10.0 110.06 178.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 49.7 ttm -61.17 -35.54 77.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.38 0.61 . . . . 10.0 109.924 178.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 2.1 m -76.27 0.23 20.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.329 -0.85 . . . . 10.0 111.118 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -119.34 -60.88 1.69 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.411 -0.589 . . . . 10.0 109.411 178.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 246' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.6 -59.08 5.95 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.52 -0.764 . . . . 10.0 111.501 -179.47 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . 95.7 mt -78.44 -48.65 14.99 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.807 0.669 . . . . 10.0 112.807 -178.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -58.94 -48.76 80.34 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.997 0.74 . . . . 10.0 112.997 -179.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -71.53 -32.16 67.85 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.855 -0.338 . . . . 10.0 111.666 -179.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 250' ' ' VAL . . . . . . . . . . . . . 1.1 p -70.29 -30.17 42.21 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 C-N-CA 120.505 -0.478 . . . . 10.0 110.138 178.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 69.5 tttt -82.15 -28.53 32.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.081 179.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -75.24 -39.97 59.42 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.168 -0.678 . . . . 10.0 109.168 178.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 47.2 mttt -81.63 -18.6 44.07 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.488 -0.778 . . . . 10.0 110.975 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 254' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.61 -27.22 41.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.789 0.328 . . . . 10.0 110.767 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -61.92 -65.57 2.07 Favored Pre-proline 0 CA--C 1.531 0.25 0 CA-C-N 115.966 -0.561 . . . . 10.0 111.007 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.33 -33.37 38.79 Favored 'Trans proline' 0 C--N 1.355 0.91 0 C-N-CA 122.151 1.901 . . . . 10.0 112.599 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 5.4 m-30 -63.76 -49.54 72.57 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.455 -0.338 . . . . 10.0 110.753 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 44.9 mt -73.36 -30.93 63.65 Favored 'General case' 0 C--O 1.221 -0.419 0 N-CA-C 110.04 -0.356 . . . . 10.0 110.04 178.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -60.56 -54.55 44.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.501 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -62.11 -47.18 85.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.864 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 2.8 m-30 -61.51 -40.46 94.69 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.187 -0.461 . . . . 10.0 111.652 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -68.13 -43.3 78.64 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.592 -0.276 . . . . 10.0 110.704 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 38.3 mtmt -62.26 -46.1 90.34 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.64 -0.504 . . . . 10.0 109.64 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 264' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -62.59 -37.74 87.42 Favored 'General case' 0 C--O 1.223 -0.302 0 N-CA-C 109.715 -0.476 . . . . 10.0 109.715 178.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -64.41 -42.5 96.03 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 109.269 -0.641 . . . . 10.0 109.269 178.701 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -64.0 -42.83 97.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.597 -0.728 . . . . 10.0 109.493 178.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -64.48 -43.65 93.49 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.328 -0.619 . . . . 10.0 109.328 178.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -59.67 -43.76 93.86 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.197 178.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 80.9 mmm -66.67 -39.92 88.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.492 . . . . 10.0 110.716 179.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -60.01 -48.3 82.27 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.514 -0.55 . . . . 10.0 109.514 178.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 95.4 mt -62.47 -42.8 99.74 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.971 -0.559 . . . . 10.0 110.386 179.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -65.42 -35.52 81.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.011 -0.541 . . . . 10.0 111.159 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 48.3 mtt180 -75.29 -37.44 60.87 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.148 0.499 . . . . 10.0 110.326 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -72.42 -17.92 61.76 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.596 179.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 275' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -98.1 -37.32 9.78 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.232 -0.44 . . . . 10.0 111.189 179.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 5.4 p -56.75 -32.5 38.27 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.292 0 N-CA-C 112.624 0.602 . . . . 10.0 112.624 -178.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 83.4 mt-10 -67.03 -61.12 5.16 Favored Pre-proline 0 CA--C 1.534 0.36 0 N-CA-C 112.326 0.491 . . . . 10.0 112.326 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -61.43 -35.77 81.3 Favored 'Trans proline' 0 C--N 1.354 0.865 0 C-N-CA 121.756 1.637 . . . . 10.0 111.632 178.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 63.4 mt -66.8 -43.39 84.0 Favored 'General case' 0 CA--C 1.522 -0.132 0 CA-C-O 120.702 0.287 . . . . 10.0 110.248 179.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -58.97 -35.21 72.8 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 116.094 -0.503 . . . . 10.0 109.799 178.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -59.87 -50.88 72.04 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.014 178.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -62.92 -42.43 99.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.693 -0.685 . . . . 10.0 110.238 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 43.9 mt -65.09 -38.23 90.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.073 -0.512 . . . . 10.0 111.089 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -71.72 -54.67 9.55 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.377 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -61.36 -39.5 90.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.329 -0.396 . . . . 10.0 111.057 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -65.69 -44.35 92.62 Favored Glycine 0 N--CA 1.446 -0.679 0 N-CA-C 110.223 -1.151 . . . . 10.0 110.223 178.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -64.94 -39.57 93.71 Favored 'General case' 0 C--O 1.224 -0.27 0 N-CA-C 109.866 -0.42 . . . . 10.0 109.866 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -55.44 -47.0 76.69 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.154 -0.475 . . . . 10.0 109.833 178.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -68.33 -50.6 52.18 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.738 179.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 78.2 mttt -58.28 -43.81 88.15 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.288 0.477 . . . . 10.0 112.288 -179.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 88.3 mt -66.61 -42.76 86.33 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.718 0.294 . . . . 10.0 110.439 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -65.17 -38.75 91.52 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.365 -0.606 . . . . 10.0 109.365 178.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -60.19 -40.84 91.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.58 -0.736 . . . . 10.0 109.727 179.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 87.5 mt -71.42 -35.4 70.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.739 -0.664 . . . . 10.0 110.0 179.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -67.39 -31.41 71.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.033 179.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -68.24 -10.39 54.23 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.764 -0.653 . . . . 10.0 109.994 178.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt -107.48 -47.46 3.63 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.127 -0.694 . . . . 10.0 109.127 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 86.5 mt -59.54 -25.28 64.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.773 -0.649 . . . . 10.0 112.439 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 299' ' ' SER . . . . . . . . . . . . . 15.2 m -77.03 -66.07 0.35 Allowed Pre-proline 0 C--N 1.322 -0.594 0 CA-C-O 119.351 -0.357 . . . . 10.0 111.957 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 300' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -68.91 -50.0 0.63 Allowed 'Trans proline' 0 C--N 1.356 0.97 0 C-N-CA 121.654 1.569 . . . . 10.0 112.624 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 85.2 mt -65.83 -32.02 73.31 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 120.752 0.311 . . . . 10.0 110.512 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -70.32 -43.82 61.4 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 110.739 -0.945 . . . . 10.0 110.739 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -62.35 -45.9 91.07 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.023 -0.732 . . . . 10.0 109.023 178.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -62.61 -38.64 90.96 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.356 -0.838 . . . . 10.0 109.239 178.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 11.6 tpt -62.75 -39.36 93.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.429 179.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 47.1 mtt180 -63.71 -40.43 96.76 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.006 -0.543 . . . . 10.0 109.659 178.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -70.14 -36.58 74.86 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.213 179.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 8.4 mmt85 -69.2 -35.5 76.29 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.229 -0.656 . . . . 10.0 109.229 178.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -62.72 -40.27 96.66 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 108.331 -0.989 . . . . 10.0 108.331 178.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 310' ' ' ARG . . . . . . . . . . . . . 76.8 mtt180 -59.1 -49.47 77.77 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-N 115.308 -0.86 . . . . 10.0 108.75 178.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -60.77 -39.44 88.82 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.748 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -60.47 -54.01 50.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.893 -0.594 . . . . 10.0 109.993 179.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 313' ' ' VAL . . . . . 0.403 ' CG1' ' HE ' ' A' ' 317' ' ' ARG . 9.5 t -71.94 -26.38 25.37 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.24 0 CA-C-N 115.629 -0.714 . . . . 10.0 111.272 -179.453 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -64.2 -49.3 72.55 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 109.25 -0.648 . . . . 10.0 109.25 178.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -64.41 -37.38 87.31 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.669 -0.696 . . . . 10.0 109.209 178.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 29.3 mt -63.82 -51.96 62.36 Favored 'General case' 0 C--O 1.22 -0.48 0 CA-C-N 115.685 -0.689 . . . . 10.0 110.1 179.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 317' ' ' ARG . . . . . 0.403 ' HE ' ' CG1' ' A' ' 313' ' ' VAL . 32.4 mtm180 -63.11 -43.52 98.2 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.799 0.296 . . . . 10.0 111.799 -179.474 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 26.0 m -63.39 -30.71 71.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.823 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 14.6 m170 -90.18 -33.62 16.14 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.985 -0.286 . . . . 10.0 111.68 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 31.7 mt -67.89 -31.09 70.64 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.944 0.35 . . . . 10.0 111.944 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -55.36 -60.01 9.51 Favored Pre-proline 0 CA--C 1.536 0.411 0 N-CA-C 111.975 0.361 . . . . 10.0 111.975 179.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -69.53 -28.04 26.85 Favored 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 121.274 1.316 . . . . 10.0 111.489 178.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 10.6 m-30 -66.9 -47.93 70.3 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 116.5 -0.318 . . . . 10.0 111.166 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 22.0 p -65.57 -36.97 85.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.792 0.33 . . . . 10.0 110.35 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -62.74 -38.55 90.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.175 0.512 . . . . 10.0 109.621 178.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -72.54 -31.9 65.65 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 109.258 -0.645 . . . . 10.0 109.258 178.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 53.5 mt -64.91 -32.84 74.74 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 108.89 -0.782 . . . . 10.0 108.89 177.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 69.9 mtt180 -64.05 -44.0 93.79 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 108.645 -0.872 . . . . 10.0 108.645 178.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -64.35 -38.38 90.84 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.537 -0.756 . . . . 10.0 109.477 178.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 35.0 mtt-85 -63.8 -50.55 68.5 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 109.15 -0.685 . . . . 10.0 109.15 178.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 48.6 mt -58.59 -43.85 89.65 Favored 'General case' 0 C--O 1.223 -0.341 0 CA-C-N 115.441 -0.8 . . . . 10.0 110.077 178.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -63.22 -52.48 62.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.666 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -58.92 -42.94 90.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 10.0 110.859 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 49.7 mtt-85 -66.77 -43.57 83.7 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.234 179.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 30.8 mt -61.03 -43.38 98.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.598 -0.273 . . . . 10.0 110.709 178.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -62.93 -42.46 99.81 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.71 0.29 . . . . 10.0 110.413 179.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -63.5 -40.38 96.9 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.341 -0.614 . . . . 10.0 109.341 178.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 96.0 mt -70.62 -17.78 62.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.111 -0.95 . . . . 10.0 110.6 178.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 68.6 mttt -86.0 -47.65 9.39 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.372 -0.603 . . . . 10.0 109.372 178.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -60.33 -55.18 36.72 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.762 -0.654 . . . . 10.0 109.677 178.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -73.24 -31.34 64.07 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.666 -0.697 . . . . 10.0 110.486 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -63.13 -47.84 84.9 Favored Glycine 0 N--CA 1.454 -0.116 0 C-N-CA 120.994 -0.622 . . . . 10.0 111.875 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -60.39 -41.24 98.44 Favored Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 110.887 -0.885 . . . . 10.0 110.887 178.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -65.51 -44.42 87.05 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.701 -0.481 . . . . 10.0 109.701 178.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 10.1 mtm180 -60.62 -46.47 90.17 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.647 179.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 91.9 mt -59.91 -47.82 84.22 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.209 -0.451 . . . . 10.0 110.915 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.58 -49.04 79.13 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.499 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -63.73 -40.1 95.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.852 179.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -61.96 -43.97 97.74 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.426 -0.352 . . . . 10.0 110.319 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 48.0 m-70 -70.48 -34.83 72.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.378 -0.373 . . . . 10.0 110.441 179.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -65.63 -47.38 75.81 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.036 -0.727 . . . . 10.0 109.036 178.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 10.7 mtmm -63.29 -37.23 86.44 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 115.554 -0.748 . . . . 10.0 109.537 178.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.07 -37.92 89.09 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.709 -0.678 . . . . 10.0 109.638 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 40.3 m -63.77 -47.06 82.48 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.224 -0.443 . . . . 10.0 109.819 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -64.32 -36.98 85.9 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.191 0.519 . . . . 10.0 109.856 178.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -67.31 -35.38 79.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.436 -0.802 . . . . 10.0 109.833 178.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 56.2 mt -68.26 -36.41 79.39 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.525 178.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 15.8 m -64.35 -46.33 83.91 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.744 -0.465 . . . . 10.0 109.744 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.48 -26.21 62.6 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.186 0.517 . . . . 10.0 110.168 179.07 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 31.3 tp -71.99 -31.0 65.83 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 108.835 -0.802 . . . . 10.0 108.835 178.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 49.1 m -68.16 -28.66 67.48 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.55 -0.75 . . . . 10.0 109.303 178.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -68.2 -25.82 65.41 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 108.765 -0.828 . . . . 10.0 108.765 177.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 363' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -88.33 -32.05 18.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.437 -0.801 . . . . 10.0 109.893 178.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -78.73 -39.52 36.05 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.9 0.704 . . . . 10.0 112.9 -178.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 73.7 mttt -93.62 -74.29 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 113.057 0.762 . . . . 10.0 113.057 -179.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -63.11 -57.4 0.41 Allowed 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 122.18 1.92 . . . . 10.0 113.481 -179.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 367' ' ' ALA . . . . . . . . . . . . . . . -57.45 -49.26 76.83 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 113.079 0.77 . . . . 10.0 113.079 -178.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 11.0 mt -64.36 -41.14 96.89 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.698 0.259 . . . . 10.0 111.698 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -62.35 -46.36 89.03 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.348 -0.612 . . . . 10.0 109.348 178.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -57.52 -43.09 83.99 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.632 -0.713 . . . . 10.0 110.204 178.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 13.2 mt -60.47 -48.83 80.03 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.028 178.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 78.0 mtt180 -63.29 -40.45 97.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.062 -0.517 . . . . 10.0 111.065 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -61.07 -41.85 97.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.399 179.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -75.74 -23.68 71.9 Favored Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.68 -0.691 . . . . 10.0 112.35 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 20.7 mt -81.81 -26.67 34.16 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.027 0.38 . . . . 10.0 112.027 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 89.2 mt -50.47 -58.92 8.35 Favored Pre-proline 0 CA--C 1.535 0.37 0 N-CA-C 112.541 0.571 . . . . 10.0 112.541 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -67.47 -28.98 38.15 Favored 'Trans proline' 0 C--N 1.357 0.975 0 C-N-CA 121.892 1.728 . . . . 10.0 111.387 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 44.5 t -63.81 -42.2 95.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.223 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 82.0 mt -62.66 -36.7 83.7 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.585 -0.524 . . . . 10.0 109.585 179.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -68.58 -51.76 39.11 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.668 -0.697 . . . . 10.0 110.921 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 10.8 p -62.98 -35.1 79.05 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.009 0.433 . . . . 10.0 110.732 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -66.87 -40.65 87.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.168 -0.469 . . . . 10.0 109.812 178.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -62.59 -39.96 95.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.033 -0.53 . . . . 10.0 110.656 179.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 50.8 t -57.9 -50.95 76.13 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-O 120.939 0.4 . . . . 10.0 109.922 179.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 14.8 m -68.62 -30.85 69.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.825 -0.625 . . . . 10.0 111.459 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -71.06 -47.41 58.59 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.539 -0.3 . . . . 10.0 110.733 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 94.7 mt -60.82 -43.72 97.85 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.522 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 3.3 p -66.74 -37.19 84.17 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.47 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -63.77 -40.23 96.18 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.978 0.418 . . . . 10.0 110.111 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 81.2 mt -62.89 -38.8 92.35 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.428 -0.582 . . . . 10.0 109.428 178.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -69.62 -38.29 77.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.637 -0.71 . . . . 10.0 109.562 178.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -55.3 -47.9 74.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.38 178.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -64.18 -44.5 91.84 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.543 -0.753 . . . . 10.0 110.119 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 14.3 m -65.24 -34.69 78.96 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.093 -0.503 . . . . 10.0 111.958 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -75.99 -35.91 59.42 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.713 0.635 . . . . 10.0 112.713 -179.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.5 -28.36 16.12 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 113.914 1.079 . . . . 10.0 113.914 -178.352 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 92.2 mt -98.45 0.74 45.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.776 0.322 . . . . 10.0 111.635 -179.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 28.4 t30 . . . . . 0 C--N 1.321 -0.657 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.777 179.813 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.456 -0.171 0 CA-C-O 120.836 0.35 . . . . 10.0 110.391 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.94 36.57 0.73 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.05 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 75.7 mt -68.61 -43.54 76.19 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.613 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 5.4 mp -64.58 -32.43 74.08 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.967 -0.561 . . . . 10.0 110.594 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -63.43 -56.44 16.17 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.668 -0.697 . . . . 10.0 109.838 179.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -61.99 -37.64 85.59 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.928 -0.578 . . . . 10.0 109.977 179.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -59.29 -40.71 87.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.793 -0.639 . . . . 10.0 110.911 179.227 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -64.23 -44.14 92.78 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 109.951 -0.389 . . . . 10.0 109.951 179.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 5.1 m -59.78 -45.54 91.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.273 178.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 70.6 t -60.37 -45.32 96.73 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.145 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.381 179.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 24.1 m -62.32 -35.14 78.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.07 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 14.4 m -66.84 -34.21 77.31 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.224 179.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -71.32 -27.73 63.6 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 109.509 -0.552 . . . . 10.0 109.509 178.668 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -70.88 -37.21 73.03 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 108.725 -0.842 . . . . 10.0 108.725 177.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 13.0 m -61.86 -43.85 98.01 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 108.97 -0.752 . . . . 10.0 108.97 177.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 58.3 mmtt -65.41 -28.64 69.4 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.123 -0.49 . . . . 10.0 110.262 178.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.04 -45.57 66.84 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 108.29 -1.004 . . . . 10.0 108.29 178.055 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 74.8 mtt180 -63.11 -32.76 74.21 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.412 -0.813 . . . . 10.0 110.219 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -62.87 -38.84 92.47 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.319 0.58 . . . . 10.0 109.865 178.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 418' ' ' GLN . . . . . 0.408 ' C ' ' H ' ' D' ' 420' ' ' GLY . 46.0 mt-30 -76.55 -37.33 56.8 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.687 -0.688 . . . . 10.0 110.473 179.523 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 62.2 mt -71.04 9.97 0.63 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.008 -0.542 . . . . 10.0 112.174 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 420' ' ' GLY . . . . . 0.408 ' H ' ' C ' ' D' ' 418' ' ' GLN . . . -99.97 -79.99 1.48 Allowed Glycine 0 N--CA 1.444 -0.784 0 N-CA-C 110.919 -0.872 . . . . 10.0 110.919 178.541 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -65.31 -41.3 16.36 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.7 2.267 . . . . 10.0 112.203 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 83.1 t -57.52 -41.45 78.92 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.168 0 N-CA-C 112.381 0.512 . . . . 10.0 112.381 -179.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 6.4 p -68.17 -41.15 81.91 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.553 -0.459 . . . . 10.0 110.144 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -62.05 -48.25 81.06 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.796 179.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -70.69 -32.26 69.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.044 -0.526 . . . . 10.0 110.672 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -66.72 -38.32 86.48 Favored 'General case' 0 CA--C 1.52 -0.208 0 N-CA-C 109.175 -0.676 . . . . 10.0 109.175 178.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 11.4 m0 -65.82 -39.77 91.19 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.26 -0.644 . . . . 10.0 109.26 178.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -66.25 -38.03 86.88 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.618 -0.882 . . . . 10.0 108.618 178.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -64.11 -47.62 79.29 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.757 -0.831 . . . . 10.0 108.757 177.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 74.9 mt -61.39 -37.07 82.09 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.529 -0.759 . . . . 10.0 109.725 179.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -61.76 -43.53 98.67 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.222 -0.658 . . . . 10.0 109.222 178.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 23.9 mttp -61.9 -42.91 99.63 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 108.679 -0.86 . . . . 10.0 108.679 178.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -63.0 -45.13 93.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.663 -0.699 . . . . 10.0 110.275 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 6.6 m -62.59 -46.45 88.26 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 110.067 -0.346 . . . . 10.0 110.067 179.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -64.47 -43.27 94.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.942 179.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -64.06 -43.58 97.09 Favored Glycine 0 N--CA 1.452 -0.296 0 N-CA-C 110.86 -0.896 . . . . 10.0 110.86 178.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 84.2 mt -66.57 -31.65 72.49 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.989 -0.375 . . . . 10.0 109.989 178.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 50.6 mtt180 -62.75 -35.83 81.06 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 109.952 -0.388 . . . . 10.0 109.952 178.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -65.46 -35.77 81.89 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 109.153 -0.684 . . . . 10.0 109.153 178.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 78.1 mt-10 -75.2 -49.83 18.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.862 -0.608 . . . . 10.0 109.63 178.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 97.7 mmm -58.88 -40.28 83.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.741 -0.663 . . . . 10.0 112.76 -178.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 5.7 p -61.56 -49.92 74.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.894 0.378 . . . . 10.0 110.048 179.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -65.15 -39.71 93.35 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.001 -0.545 . . . . 10.0 109.865 179.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -60.76 -56.68 18.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.545 -0.752 . . . . 10.0 111.119 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 86.5 mt -65.83 -43.29 89.01 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.882 -0.599 . . . . 10.0 112.501 -178.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 446' ' ' GLU . . . . . 0.463 ' CD ' ' HZ1' ' D' ' 449' ' ' LYS . 10.5 mm-40 -61.98 -45.3 94.25 Favored 'General case' 0 CA--C 1.518 -0.27 0 C-N-CA 120.764 -0.374 . . . . 10.0 110.312 179.236 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 447' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -68.49 -36.33 78.78 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.918 -0.401 . . . . 10.0 109.918 178.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 2.0 t -55.19 -39.64 52.04 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.05 0 CA-C-O 120.845 0.355 . . . . 10.0 110.358 179.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 449' ' ' LYS . . . . . 0.463 ' HZ1' ' CD ' ' D' ' 446' ' ' GLU . 89.4 mttt -60.78 -39.7 89.82 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.217 0.532 . . . . 10.0 110.196 178.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -89.85 0.39 57.07 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.751 -0.659 . . . . 10.0 111.642 -179.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 5.3 mmmm -107.2 -45.45 4.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.594 0.235 . . . . 10.0 110.895 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 82.6 t -64.85 -36.23 77.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.397 -0.365 . . . . 10.0 111.227 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -57.62 -60.9 8.43 Favored Pre-proline 0 CA--C 1.536 0.408 0 C-N-CA 121.06 -0.256 . . . . 10.0 111.644 179.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -66.86 -30.35 40.46 Favored 'Trans proline' 0 C--N 1.353 0.809 0 C-N-CA 121.944 1.762 . . . . 10.0 111.368 178.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 78.4 t80 -61.56 -47.71 84.26 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.229 -0.656 . . . . 10.0 109.229 178.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 21.1 mt -67.19 -37.3 83.44 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.589 -0.732 . . . . 10.0 110.856 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -67.18 -50.83 59.62 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.977 0.418 . . . . 10.0 110.348 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 458' ' ' ASP . . . . . 0.5 ' CG ' ' HZ2' ' D' ' 462' ' ' LYS . 4.1 t70 -61.09 -40.37 93.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.592 -0.731 . . . . 10.0 110.437 179.346 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -70.71 -40.64 72.7 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.458 179.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -63.67 -36.69 84.66 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 110.146 -0.316 . . . . 10.0 110.146 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 57.4 mttt -62.97 -37.33 86.69 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 109.011 -0.737 . . . . 10.0 109.011 177.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 462' ' ' LYS . . . . . 0.5 ' HZ2' ' CG ' ' D' ' 458' ' ' ASP . 15.0 mtmm -71.16 -34.95 71.45 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.099 -0.5 . . . . 10.0 109.975 178.357 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 38.3 m0 -69.74 -38.75 76.93 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.736 -0.838 . . . . 10.0 108.736 178.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -61.26 -52.1 66.15 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 115.635 -0.711 . . . . 10.0 109.353 178.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 465' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -52.8 -53.71 44.56 Favored 'General case' 0 C--N 1.333 -0.15 0 O-C-N 123.675 0.609 . . . . 10.0 110.152 178.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.18 -40.33 89.62 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.152 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 33.1 ttm -63.07 -46.26 88.28 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 120.98 0.419 . . . . 10.0 110.469 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -64.79 -39.77 94.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.916 -0.583 . . . . 10.0 109.743 178.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 469' ' ' LEU . . . . . . . . . . . . . 97.4 mt -61.98 -39.67 92.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.791 -0.64 . . . . 10.0 110.389 178.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 18.9 m-30 -64.95 -30.93 71.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.918 0.39 . . . . 10.0 110.761 179.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 63.2 mtt180 -70.6 -26.97 63.75 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.223 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -107.64 2.25 23.76 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.951 -179.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 473' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -127.15 -66.49 0.89 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.477 -0.329 . . . . 10.0 110.907 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 55.6 t -56.43 -44.5 80.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.533 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -63.86 -60.73 8.29 Favored Pre-proline 0 CA--C 1.541 0.596 0 N-CA-C 112.25 0.463 . . . . 10.0 112.25 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_exo -56.67 -39.21 92.92 Favored 'Trans proline' 0 C--N 1.355 0.872 0 C-N-CA 122.385 2.057 . . . . 10.0 111.557 179.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 19.3 mt -67.86 -31.62 71.56 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 116.485 -0.325 . . . . 10.0 110.815 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 17.4 ttm180 -64.75 -41.21 96.07 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.265 -0.643 . . . . 10.0 109.265 178.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -71.24 -38.68 71.95 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.726 -0.67 . . . . 10.0 109.807 179.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -64.5 -47.96 76.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.621 -0.718 . . . . 10.0 109.699 179.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 76.9 mt -66.84 -32.11 73.16 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.746 -0.661 . . . . 10.0 110.454 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -66.38 -40.63 89.81 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.584 -0.524 . . . . 10.0 109.584 178.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -70.72 -42.63 70.31 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 109.439 -0.578 . . . . 10.0 109.439 179.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -61.71 -39.51 97.53 Favored Glycine 0 N--CA 1.45 -0.388 0 N-CA-C 110.257 -1.137 . . . . 10.0 110.257 178.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -69.08 -36.58 77.77 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.166 -0.679 . . . . 10.0 109.166 178.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 67.9 mtt180 -62.24 -44.4 96.65 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.126 -0.694 . . . . 10.0 109.126 178.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -63.9 -41.98 97.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.601 -0.727 . . . . 10.0 109.343 178.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -65.09 -36.9 85.77 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.848 -0.615 . . . . 10.0 109.751 178.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 27.8 mt -63.81 -38.73 92.17 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 108.537 -0.912 . . . . 10.0 108.537 178.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -67.59 -42.13 82.97 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 108.48 -0.933 . . . . 10.0 108.48 178.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -57.66 -43.14 84.74 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 108.273 -1.01 . . . . 10.0 108.273 177.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 93.2 mt -67.53 -39.62 85.04 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.583 -0.735 . . . . 10.0 110.705 178.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 493' ' ' GLN . . . . . 0.401 ' C ' ' H ' ' D' ' 495' ' ' LYS . 88.0 mt-30 -58.87 -42.01 88.41 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.769 0.319 . . . . 10.0 110.353 179.166 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -77.19 13.8 1.06 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.921 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 495' ' ' LYS . . . . . 0.401 ' H ' ' C ' ' D' ' 493' ' ' GLN . 30.0 mttp -128.72 -45.86 1.3 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.113 -0.494 . . . . 10.0 109.745 178.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 96.3 mt -59.77 -33.24 71.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.998 -0.547 . . . . 10.0 111.301 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 497' ' ' SER . . . . . . . . . . . . . 6.0 m -77.23 -65.9 0.35 Allowed Pre-proline 0 CA--C 1.538 0.494 0 CA-C-O 119.424 -0.322 . . . . 10.0 111.571 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 498' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_endo -61.56 -53.02 2.56 Favored 'Trans proline' 0 C--N 1.358 1.065 0 C-N-CA 121.721 1.614 . . . . 10.0 112.574 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 499' ' ' LEU . . . . . . . . . . . . . 78.7 mt -68.51 -25.8 65.13 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.915 0.388 . . . . 10.0 110.681 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -71.93 -50.08 19.94 Favored Glycine 0 N--CA 1.448 -0.512 0 N-CA-C 110.45 -1.06 . . . . 10.0 110.45 178.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -63.44 -36.27 83.19 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 108.984 -0.747 . . . . 10.0 108.984 178.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 502' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -65.95 -41.2 91.55 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.522 -0.763 . . . . 10.0 109.247 178.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 3.3 tmm? -62.85 -40.42 97.4 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 108.783 -0.821 . . . . 10.0 108.783 178.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -63.08 -43.09 99.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.398 -0.819 . . . . 10.0 109.513 178.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.86 -44.03 97.22 Favored 'General case' 0 N--CA 1.462 0.16 0 N-CA-C 109.675 -0.491 . . . . 10.0 109.675 178.56 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 506' ' ' ARG . . . . . . . . . . . . . 46.8 mtt180 -60.0 -46.36 89.72 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 108.904 -0.776 . . . . 10.0 108.904 178.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -60.14 -41.6 93.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.605 -0.725 . . . . 10.0 109.942 179.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 508' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -60.02 -46.08 90.69 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 109.742 -0.466 . . . . 10.0 109.742 178.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -65.74 -34.97 79.42 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.645 -0.707 . . . . 10.0 110.986 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -73.68 -49.89 23.59 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.29 -0.414 . . . . 10.0 110.429 179.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 62.2 t -62.12 -43.01 97.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.501 . . . . 10.0 110.95 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -64.4 -35.45 80.95 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 109.849 -0.426 . . . . 10.0 109.849 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -68.16 -39.1 82.67 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 108.652 -0.87 . . . . 10.0 108.652 178.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 514' ' ' LEU . . . . . . . . . . . . . 88.1 mt -61.47 -30.83 70.85 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.126 178.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 515' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -68.98 -26.7 65.16 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.123 -0.49 . . . . 10.0 110.213 178.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -105.45 1.87 28.09 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.177 0.513 . . . . 10.0 110.951 179.691 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 25.6 m170 -115.0 -57.64 2.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.245 -0.434 . . . . 10.0 111.54 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 72.5 mt -75.59 -49.39 18.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.947 -0.57 . . . . 10.0 112.449 -178.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 519' ' ' ALA . . . . . . . . . . . . . . . -52.63 -56.86 18.81 Favored Pre-proline 0 CA--C 1.534 0.363 0 N-CA-C 112.592 0.589 . . . . 10.0 112.592 -179.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 520' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_exo -60.13 -39.94 64.82 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 121.824 1.683 . . . . 10.0 110.959 179.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -61.69 -39.37 91.22 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.401 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 45.2 m -63.71 -38.31 90.65 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 109.476 -0.564 . . . . 10.0 109.476 178.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -68.31 -39.3 82.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.85 -0.614 . . . . 10.0 109.844 179.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -64.66 -42.24 95.54 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 108.552 -0.907 . . . . 10.0 108.552 177.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 80.5 mt -64.83 -29.46 70.42 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-N 115.429 -0.805 . . . . 10.0 110.451 178.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 526' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -62.53 -42.77 99.74 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.075 -0.713 . . . . 10.0 109.075 178.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -67.76 -39.46 84.17 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.773 -0.649 . . . . 10.0 110.314 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 528' ' ' ARG . . . . . . . . . . . . . 76.0 mtt180 -71.4 -47.96 52.78 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.782 -0.644 . . . . 10.0 110.932 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 26.7 mt -61.73 -33.72 74.54 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.558 -0.292 . . . . 10.0 110.43 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -61.68 -43.61 98.53 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.174 -0.676 . . . . 10.0 109.174 178.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -69.71 -40.07 76.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.705 -0.679 . . . . 10.0 109.968 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -62.1 -51.55 67.45 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.821 -0.627 . . . . 10.0 109.915 178.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 75.0 mt -64.87 -33.02 75.02 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.41 178.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -62.49 -44.4 96.47 Favored 'General case' 0 CA--C 1.518 -0.26 0 N-CA-C 108.911 -0.774 . . . . 10.0 108.911 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -66.49 -37.91 86.13 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 108.851 -0.796 . . . . 10.0 108.851 178.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 87.6 mt -67.14 -26.24 66.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.879 178.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 44.1 mtmt -83.01 -33.94 26.4 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.082 -0.71 . . . . 10.0 109.082 178.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -72.16 -57.66 4.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.389 -0.823 . . . . 10.0 109.864 179.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 13.8 m-20 -68.59 -33.34 73.88 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.454 -0.573 . . . . 10.0 109.454 179.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -65.53 -39.79 95.78 Favored Glycine 0 N--CA 1.445 -0.73 0 N-CA-C 110.52 -1.032 . . . . 10.0 110.52 178.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -64.44 -39.17 96.67 Favored Glycine 0 N--CA 1.447 -0.576 0 N-CA-C 109.889 -1.284 . . . . 10.0 109.889 178.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -66.31 -44.59 83.01 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.92 -0.77 . . . . 10.0 108.92 178.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 60.7 mtt85 -60.53 -40.54 91.89 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-N 115.7 -0.682 . . . . 10.0 109.98 178.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 13.8 mt -61.67 -48.44 80.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 10.0 110.141 178.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -62.71 -41.82 99.34 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.714 -0.676 . . . . 10.0 110.099 179.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -65.82 -41.13 92.2 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.821 -0.627 . . . . 10.0 109.967 178.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -65.02 -34.52 78.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.124 -0.489 . . . . 10.0 109.903 179.084 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -69.91 -43.01 72.57 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.221 -0.659 . . . . 10.0 109.221 178.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -66.25 -51.3 58.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.783 -0.644 . . . . 10.0 110.287 179.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.14 -27.09 68.49 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.054 -0.521 . . . . 10.0 111.63 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -66.85 -39.61 87.65 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.079 -0.711 . . . . 10.0 109.079 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 14.9 m -66.54 -44.88 81.2 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.72 -0.844 . . . . 10.0 108.72 178.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -61.61 -49.64 75.79 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 115.693 -0.685 . . . . 10.0 109.862 178.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 79.7 t60 -59.13 -40.36 85.23 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.142 179.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 12.4 tp -64.66 -45.25 87.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.013 -0.54 . . . . 10.0 111.093 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 5.0 p -60.0 -44.25 94.67 Favored 'General case' 0 CA--C 1.529 0.155 0 N-CA-C 111.898 0.333 . . . . 10.0 111.898 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -68.65 -29.96 68.55 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.934 0.397 . . . . 10.0 110.834 179.371 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 22.0 mt -66.59 -50.57 62.61 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 115.973 -0.558 . . . . 10.0 109.645 178.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 1.8 p -67.43 -34.67 77.7 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.616 -0.513 . . . . 10.0 109.616 178.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -58.52 -27.51 64.58 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.436 -0.802 . . . . 10.0 110.45 178.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.35 -41.56 6.99 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.519 179.082 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -56.02 -48.72 75.43 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.577 0.584 . . . . 10.0 112.577 -179.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -54.16 -60.85 6.47 Favored Pre-proline 0 CA--C 1.535 0.377 0 N-CA-C 112.715 0.635 . . . . 10.0 112.715 -179.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -68.46 -34.97 18.97 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 121.64 1.56 . . . . 10.0 112.853 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -65.79 -47.02 76.54 Favored 'General case' 0 CA--C 1.516 -0.364 0 C-N-CA 121.208 -0.197 . . . . 10.0 111.224 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 43.2 mt -58.96 -46.74 87.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.485 -0.325 . . . . 10.0 110.253 179.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -65.15 -42.69 93.52 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.481 -0.327 . . . . 10.0 111.189 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.81 -42.47 94.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.411 -0.358 . . . . 10.0 110.41 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 77.5 mt -66.28 -41.64 89.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.004 178.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 66.0 mtt180 -62.43 -52.71 62.49 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.621 179.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -66.86 -23.43 66.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.959 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -82.23 -34.02 24.54 Favored Glycine 0 N--CA 1.444 -0.832 0 N-CA-C 111.054 -0.818 . . . . 10.0 111.054 178.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 20.5 mt -71.77 -25.15 61.91 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 122.072 0.149 . . . . 10.0 111.348 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 95.4 mt -53.92 -60.47 7.24 Favored Pre-proline 0 CA--C 1.542 0.65 0 O-C-N 123.106 0.254 . . . . 10.0 111.68 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -69.51 -28.44 26.47 Favored 'Trans proline' 0 C--N 1.357 0.998 0 C-N-CA 121.754 1.636 . . . . 10.0 111.11 178.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 22.4 t -64.08 -50.09 78.56 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.127 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.329 179.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 89.3 mt -61.66 -36.06 79.74 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 110.102 -0.333 . . . . 10.0 110.102 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 -66.01 -47.4 74.58 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 109.553 -0.536 . . . . 10.0 109.553 178.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 44.5 m -61.37 -41.1 96.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.791 -0.64 . . . . 10.0 109.98 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -66.04 -35.35 80.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.155 178.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -60.74 -47.42 86.37 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 108.753 -0.832 . . . . 10.0 108.753 178.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 61.6 t -61.48 -44.25 98.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.357 -0.838 . . . . 10.0 110.313 179.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 69.9 m -60.03 -50.68 72.75 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.363 -0.38 . . . . 10.0 110.575 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -61.72 -46.15 90.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.985 -0.552 . . . . 10.0 111.613 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 62.7 mt -57.82 -50.68 72.48 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.745 0.307 . . . . 10.0 111.244 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 4.7 m -66.62 -28.55 68.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.001 0.429 . . . . 10.0 111.387 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -75.26 -57.99 3.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.737 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 84.2 mt -57.38 -41.37 80.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.471 . . . . 10.0 111.952 -179.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -59.06 -52.46 65.67 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.193 -0.458 . . . . 10.0 110.889 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -68.67 -35.79 77.7 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.128 0.418 . . . . 10.0 112.128 -179.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 9.2 m-30 -60.33 -42.59 95.97 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.86 0.362 . . . . 10.0 110.195 179.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 29.4 m -66.09 -31.92 73.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.498 -0.774 . . . . 10.0 110.739 179.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -79.3 -32.88 43.62 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.328 -0.396 . . . . 10.0 111.001 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 8.8 mptt -73.19 -43.69 60.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.07 0.462 . . . . 10.0 110.273 179.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 82.4 mt -98.17 41.51 1.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.421 0.629 . . . . 10.0 109.821 179.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 . . . . . 0 C--N 1.323 -0.578 0 CA-C-N 115.726 -0.67 . . . . 10.0 111.456 -179.131 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 C--O 1.235 0.308 0 CA-C-O 120.932 0.396 . . . . 10.0 111.113 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.16 128.85 34.96 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.919 -179.681 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -91.45 133.94 35.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.513 -0.312 . . . . 10.0 110.658 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -126.74 111.37 14.17 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.748 -0.464 . . . . 10.0 109.748 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 36.9 mttm -78.89 117.63 20.16 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 120.936 0.398 . . . . 10.0 111.119 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 12.6 mt -117.26 123.55 46.86 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.642 -0.708 . . . . 10.0 110.685 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 21.3 t -104.07 120.06 53.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 120.915 0.388 . . . . 10.0 111.335 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 42.7 t -98.24 105.9 17.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.317 -0.623 . . . . 10.0 109.317 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -125.84 169.28 17.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.141 0.496 . . . . 10.0 112.104 -178.488 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 146.65 177.84 21.57 Favored Glycine 0 N--CA 1.444 -0.823 0 CA-C-N 115.057 -0.974 . . . . 10.0 111.03 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.11 159.88 30.08 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.815 0.341 . . . . 10.0 110.931 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.29 139.28 42.39 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.883 0.373 . . . . 10.0 111.376 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 98.34 4.07 57.45 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 121.009 -0.615 . . . . 10.0 113.229 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 34.6 m -85.14 -23.37 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 122.445 -0.444 . . . . 10.0 111.865 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 101.01 48.77 1.42 Allowed Glycine 0 C--O 1.223 -0.58 0 C-N-CA 120.654 -0.784 . . . . 10.0 113.031 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 1.9 mtmp? -83.31 -41.39 18.31 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.293 0.568 . . . . 10.0 109.951 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' SER . . . . . 0.42 ' OG ' ' O3G' ' B' ' 201' ' ' GSP . 0.8 OUTLIER -70.57 -39.64 73.78 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.746 -0.661 . . . . 10.0 109.425 179.588 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.95 -53.93 52.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.913 -0.585 . . . . 10.0 109.856 179.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 8.6 mt -52.82 -49.66 65.25 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.094 -0.503 . . . . 10.0 111.841 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 6.8 m -62.99 -47.44 83.13 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.056 -0.52 . . . . 10.0 111.438 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 86.0 mt -63.82 -36.34 76.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.386 -0.37 . . . . 10.0 111.592 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -63.88 -26.64 68.7 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.566 -0.288 . . . . 10.0 111.382 179.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 4.4 tp -94.55 -37.43 11.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.867 0.365 . . . . 10.0 111.155 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 47.8 mm -77.85 -51.79 17.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 112.299 0.481 . . . . 10.0 112.299 -179.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -97.89 -8.17 28.76 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.056 0.391 . . . . 10.0 112.056 -178.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 70.86 10.44 6.99 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 113.785 1.031 . . . . 10.0 113.785 178.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -130.03 168.55 16.55 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.578 0.585 . . . . 10.0 112.578 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -103.88 140.24 37.96 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.514 -179.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -92.89 123.64 45.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 109.867 -0.42 . . . . 10.0 109.867 179.122 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.05 8.8 27.89 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.091 0.472 . . . . 10.0 111.374 -178.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -128.0 162.57 26.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.35 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -102.36 119.94 39.65 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.861 -0.422 . . . . 10.0 109.861 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -120.52 102.07 45.55 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 116.233 -0.439 . . . . 10.0 110.626 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -55.23 118.1 4.79 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.952 2.434 . . . . 10.0 111.16 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' THR . . . . . 0.428 ' OG1' ' O3G' ' B' ' 201' ' ' GSP . 0.2 OUTLIER -104.01 117.93 35.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.568 -0.287 . . . . 10.0 111.41 -178.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 33.9 mm -72.43 -57.0 8.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 108.672 -0.862 . . . . 10.0 108.672 178.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -168.12 102.15 0.45 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.462 -0.79 . . . . 10.0 109.791 178.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -107.9 171.87 7.16 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.371 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 19.1 m -147.6 131.02 16.66 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.762 0.315 . . . . 10.0 110.474 -179.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -134.52 143.2 47.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.347 -0.388 . . . . 10.0 110.241 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -116.15 126.2 53.35 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.98 0.419 . . . . 10.0 110.914 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 46.2 tptt -124.62 128.86 49.52 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.068 -0.515 . . . . 10.0 110.035 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -106.61 100.37 9.89 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.888 0.375 . . . . 10.0 110.123 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 3.5 m -124.59 158.3 31.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.158 -0.474 . . . . 10.0 111.007 -179.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 3.0 m -94.76 61.37 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.046 0.45 . . . . 10.0 111.917 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 69.3 mt -67.15 125.89 25.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.856 0.36 . . . . 10.0 111.016 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 66.13 16.77 10.57 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.509 -0.769 . . . . 10.0 112.141 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.85 -12.7 68.28 Favored Glycine 0 C--O 1.229 -0.207 0 C-N-CA 120.996 -0.621 . . . . 10.0 113.04 179.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -103.11 132.79 49.11 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 122.67 -0.312 . . . . 10.0 110.653 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 1.1 m -69.12 116.45 9.57 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.99 -0.745 . . . . 10.0 108.99 178.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -123.88 146.28 48.53 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.201 0.524 . . . . 10.0 112.047 -178.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 25.2 tp -103.31 109.12 20.62 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.425 -0.807 . . . . 10.0 108.984 178.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 17.2 mt -82.39 121.95 27.37 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.926 -0.579 . . . . 10.0 111.392 -178.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -102.07 83.48 2.36 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.86 -1.163 . . . . 10.0 107.86 178.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 15.7 mt -85.62 139.41 17.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 112.829 0.678 . . . . 10.0 112.829 -177.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 4.6 tp -131.23 118.85 20.99 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 116.024 -0.534 . . . . 10.0 111.048 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -102.75 90.92 3.96 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 120.922 0.391 . . . . 10.0 110.22 178.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.01 164.25 16.59 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.965 -0.561 . . . . 10.0 111.121 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.51 137.85 42.75 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.189 0.518 . . . . 10.0 111.848 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -111.57 48.69 0.91 Allowed Glycine 0 N--CA 1.447 -0.575 0 N-CA-C 110.77 -0.932 . . . . 10.0 110.77 179.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -107.29 15.29 25.18 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.749 0.309 . . . . 10.0 111.434 -179.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 63.48 -173.6 0.16 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.593 -0.73 . . . . 10.0 111.937 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 68.18 3.66 3.76 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 116.044 -0.526 . . . . 10.0 112.189 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -100.6 39.57 1.36 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.418 -0.355 . . . . 10.0 110.562 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 1.5 m -61.29 -34.34 75.05 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.584 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.44 -35.55 30.47 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.993 0.425 . . . . 10.0 110.945 179.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 28.2 ttt -74.0 -40.16 63.13 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.277 -0.419 . . . . 10.0 111.983 -179.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -54.67 -40.68 69.34 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.277 0.473 . . . . 10.0 112.277 -179.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.21 -25.24 65.46 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.131 -0.486 . . . . 10.0 112.259 -178.611 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -69.33 -64.71 0.82 Allowed 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.202 -0.454 . . . . 10.0 111.638 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 13.4 p90 -70.98 -21.3 62.33 Favored 'General case' 0 CA--C 1.529 0.157 0 N-CA-C 112.968 0.729 . . . . 10.0 112.968 -178.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 30.6 mtt -67.95 -25.61 65.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.25 0.548 . . . . 10.0 111.289 179.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -85.94 -36.64 19.73 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.663 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 1.4 m -78.67 -41.25 31.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 10.0 111.955 -179.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -66.0 137.81 36.47 Favored Glycine 0 C--O 1.236 0.265 0 C-N-CA 120.924 -0.655 . . . . 10.0 113.156 -178.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -96.73 -47.37 5.91 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.811 0.339 . . . . 10.0 110.212 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -106.16 129.5 9.78 Favored Glycine 0 N--CA 1.445 -0.719 0 N-CA-C 111.146 -0.781 . . . . 10.0 111.146 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -111.04 126.26 54.61 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.141 0.496 . . . . 10.0 111.587 -179.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 12.1 tp -98.74 114.07 26.43 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.68 -0.691 . . . . 10.0 110.184 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 1.9 m -88.85 90.79 8.56 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.728 -0.669 . . . . 10.0 109.572 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 4.1 t -91.42 132.63 35.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.573 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 21.1 p90 -146.29 157.0 43.76 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 116.141 -0.482 . . . . 10.0 110.403 178.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -96.0 132.38 41.4 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 109.433 -0.58 . . . . 10.0 109.433 179.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 17.4 pt -72.65 1.78 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.047 0.451 . . . . 10.0 111.635 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 33.9 p-10 -125.78 17.99 7.99 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.219 179.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -137.53 112.26 8.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.932 -0.576 . . . . 10.0 109.713 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.11 -37.98 87.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.945 -0.571 . . . . 10.0 112.525 -179.005 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -56.29 -45.51 80.18 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.641 -0.254 . . . . 10.0 110.725 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 1.4 m -65.67 -36.97 85.17 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.88 0.326 . . . . 10.0 111.88 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -67.46 -45.16 76.76 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.788 0.328 . . . . 10.0 111.451 -179.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -75.61 -28.09 58.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.215 -0.448 . . . . 10.0 111.598 -179.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.12 -23.02 67.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.667 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 45.4 mm -57.65 -42.05 80.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.092 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 58.2 t60 -63.86 -47.59 80.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.725 -0.671 . . . . 10.0 110.549 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -60.83 -43.22 98.55 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.123 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -64.87 -47.34 78.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.848 -0.615 . . . . 10.0 110.08 178.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 97' ' ' ARG . . . . . 0.433 ' NH1' ' HZ3' ' B' ' 101' ' ' LYS . 2.2 tmt_? -55.76 -45.1 78.16 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.817 -0.629 . . . . 10.0 111.799 -179.165 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -64.56 -35.75 81.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.493 -0.321 . . . . 10.0 111.765 -179.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -71.21 -42.4 69.0 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.939 -0.304 . . . . 10.0 111.304 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 61.5 mt -56.76 -48.91 80.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-O 120.899 0.381 . . . . 10.0 110.731 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . 0.433 ' HZ3' ' NH1' ' B' ' 97' ' ' ARG . 34.3 mtmt -64.47 -27.09 68.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.924 -0.58 . . . . 10.0 111.251 -179.594 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 -77.45 -39.47 46.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.666 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 79.3 t -72.86 -45.6 55.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.952 -0.567 . . . . 10.0 111.437 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -84.82 -10.77 56.84 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 111.697 0.258 . . . . 10.0 111.697 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 17.6 t70 53.4 59.42 4.39 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 121.422 0.63 . . . . 10.0 112.228 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 18.1 t -164.67 146.6 8.3 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.487 -0.779 . . . . 10.0 109.956 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -85.96 -19.78 29.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.098 0.475 . . . . 10.0 110.011 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -95.09 106.85 18.88 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.813 -0.631 . . . . 10.0 110.714 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 52.1 t -136.27 127.82 17.04 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.24 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -68.45 101.65 0.76 Allowed 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.841 2.361 . . . . 10.0 110.798 179.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 55.0 mtm -128.21 152.94 47.47 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.685 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 39.0 t -136.62 126.31 38.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.108 -0.496 . . . . 10.0 109.77 179.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 15.8 tp -85.81 119.46 26.16 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 110.033 -0.358 . . . . 10.0 110.033 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 84.9 t -115.34 116.13 51.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 112.406 0.521 . . . . 10.0 112.406 -178.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -102.62 104.59 2.61 Favored Glycine 0 N--CA 1.447 -0.601 0 N-CA-C 110.253 -1.139 . . . . 10.0 110.253 178.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -92.94 167.23 11.95 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.379 0.133 . . . . 10.0 110.971 -178.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 82.5 mttt 65.91 33.96 7.53 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 123.166 0.586 . . . . 10.0 112.224 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 86.5 m -71.78 -9.63 58.58 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 112.307 0.484 . . . . 10.0 112.307 -179.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -91.2 4.04 53.27 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.012 0.434 . . . . 10.0 110.613 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 31.4 mt -91.49 136.97 26.15 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.11 -0.495 . . . . 10.0 110.232 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -77.24 158.11 33.47 Favored 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 122.488 2.126 . . . . 10.0 111.416 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 1.1 m 62.67 69.73 0.59 Allowed 'General case' 0 C--O 1.232 0.177 0 CA-C-O 121.475 0.655 . . . . 10.0 111.288 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -88.06 150.52 23.34 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.709 -0.678 . . . . 10.0 111.168 -179.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 25.3 m -81.97 -61.41 1.92 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.672 179.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 32.3 t -92.9 123.45 45.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.075 0.464 . . . . 10.0 110.656 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.4 153.16 33.94 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.627 -0.715 . . . . 10.0 109.405 179.129 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 2.3 m -54.35 -41.38 69.03 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.183 0.438 . . . . 10.0 112.183 -179.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 12.4 pttt -55.5 -52.47 63.55 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.477 0.547 . . . . 10.0 112.477 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -70.74 -27.7 64.15 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.994 -0.282 . . . . 10.0 111.67 -179.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.89 -44.45 76.97 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 121.488 0.661 . . . . 10.0 109.596 179.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -70.9 -29.35 65.4 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.285 -0.87 . . . . 10.0 109.624 178.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -66.56 -33.84 76.57 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.341 -0.845 . . . . 10.0 109.827 178.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 12.4 tp -78.02 -36.94 48.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.605 -0.725 . . . . 10.0 110.6 179.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.96 -27.91 69.72 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 121.171 0.51 . . . . 10.0 111.108 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -66.06 -40.44 90.92 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.658 -0.701 . . . . 10.0 111.029 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.65 -30.79 71.81 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.071 -0.513 . . . . 10.0 111.316 -179.698 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -86.39 -30.87 21.81 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.432 179.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 85.07 33.79 16.81 Favored Glycine 0 N--CA 1.445 -0.711 0 N-CA-C 110.238 -1.145 . . . . 10.0 110.238 -178.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 37.5 pt -121.14 157.4 55.59 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 115.268 -0.466 . . . . 10.0 110.758 -178.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -82.89 141.49 10.71 Favored 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 122.819 2.346 . . . . 10.0 112.579 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -125.01 137.62 54.24 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.46 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 46.7 mt -143.11 132.49 21.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.507 -0.553 . . . . 10.0 109.507 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -73.69 134.36 43.55 Favored 'General case' 0 CA--C 1.522 -0.132 0 N-CA-C 108.709 -0.848 . . . . 10.0 108.709 178.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 34.5 p -136.66 165.79 25.07 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 113.787 1.032 . . . . 10.0 113.787 -177.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 30.2 t -156.01 101.19 2.08 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 107.45 -1.315 . . . . 10.0 107.45 178.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -65.37 -36.98 85.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.503 -0.317 . . . . 10.0 111.388 -178.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -56.67 -42.47 79.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.002 0.43 . . . . 10.0 110.273 178.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 1.6 m -88.24 -7.16 57.22 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.239 0.543 . . . . 10.0 110.3 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 2.9 ttt-85 59.21 42.8 17.99 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.489 -0.778 . . . . 10.0 111.575 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -122.21 113.22 19.16 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.066 -0.516 . . . . 10.0 111.334 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 110.14 -15.43 30.64 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 121.009 -0.615 . . . . 10.0 112.756 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 3.0 t -54.0 -52.94 31.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-O 120.932 0.396 . . . . 10.0 111.93 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -62.23 -49.22 76.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.943 -0.571 . . . . 10.0 111.571 -179.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -54.7 -47.62 73.47 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.993 -0.548 . . . . 10.0 112.313 -178.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.23 -46.95 88.3 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.251 -0.432 . . . . 10.0 111.551 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -62.76 -43.58 98.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.478 -0.328 . . . . 10.0 111.88 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 17.1 m-30 -62.21 -48.11 81.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.207 -0.451 . . . . 10.0 110.981 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 11.4 m -63.37 -37.89 89.04 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.945 -0.571 . . . . 10.0 112.448 -179.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 44.7 tp -57.87 -48.94 78.37 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.877 0.37 . . . . 10.0 111.089 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 96.6 t -69.44 -38.24 76.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.147 0.498 . . . . 10.0 110.554 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 16.4 ttp180 -63.83 -36.89 85.38 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.755 -0.657 . . . . 10.0 111.179 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -64.85 -33.66 76.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.849 0.356 . . . . 10.0 110.632 179.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 72.8 mt -66.63 -43.45 90.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 108.46 -0.941 . . . . 10.0 108.46 178.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 77.9 mtt180 -62.48 -43.25 99.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.364 -0.834 . . . . 10.0 109.592 179.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 13.1 ttmt -61.03 -45.49 94.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.826 -0.624 . . . . 10.0 109.845 178.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 22.9 t-80 -56.53 -52.65 63.98 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.732 -0.667 . . . . 10.0 111.068 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -63.53 -42.55 98.44 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.29 -0.414 . . . . 10.0 111.832 -178.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -63.0 -46.45 87.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.023 0.44 . . . . 10.0 110.504 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 8.9 mtpm? -69.54 -37.7 77.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.039 -0.528 . . . . 10.0 111.525 -179.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 75.3 mmm -66.64 -17.31 64.77 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 112.612 0.597 . . . . 10.0 112.612 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 51.9 m -76.48 -13.44 60.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.67 0.747 . . . . 10.0 109.988 178.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -111.3 -50.57 2.92 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.399 -0.819 . . . . 10.0 108.928 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 173' ' ' ASP . . . . . . . . . . . . . 30.9 t0 70.04 -66.99 0.25 Allowed 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.336 -0.847 . . . . 10.0 113.028 179.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . 103.78 -126.17 8.69 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 121.138 -0.553 . . . . 10.0 111.855 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 175' ' ' LYS . . . . . . . . . . . . . 86.3 mttt 61.54 32.29 18.74 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 122.866 0.466 . . . . 10.0 112.08 179.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 176' ' ' LYS . . . . . . . . . . . . . 40.0 mttp -143.25 51.63 1.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.006 0.431 . . . . 10.0 110.541 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 177' ' ' LYS . . . . . . . . . . . . . 32.0 mtmt -91.9 -20.87 20.97 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.336 179.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 5.8 ttmm 71.79 -115.7 0.07 Allowed 'General case' 0 C--O 1.234 0.26 0 O-C-N 123.97 0.794 . . . . 10.0 109.761 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 179' ' ' LYS . . . . . . . . . . . . . 4.9 mptp? 57.96 -157.64 0.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.692 0.627 . . . . 10.0 112.692 178.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 13.2 pttp -158.91 157.05 30.67 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.025 -0.731 . . . . 10.0 109.025 -179.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 19.0 m -78.17 -8.28 58.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.185 0.516 . . . . 10.0 111.021 -179.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 13.8 ptpt -118.27 132.22 56.31 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 116.097 -0.501 . . . . 10.0 110.458 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 183' ' ' THR . . . . . 0.528 ' H ' ' C3 ' ' C' ' 214' ' ' 17F . 0.2 OUTLIER -71.97 -77.74 0.09 Allowed 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.522 -0.547 . . . . 10.0 109.522 179.213 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 184' ' ' LYS . . . . . 0.529 ' N ' ' O5 ' ' C' ' 214' ' ' 17F . 4.5 tmtt? . . . . . 0 C--O 1.236 0.346 0 CA-C-N 115.218 -0.901 . . . . 10.0 109.702 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.934 0.397 . . . . 10.0 110.792 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -80.32 123.11 27.71 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.213 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -98.96 132.73 44.06 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.691 0.281 . . . . 10.0 110.647 -179.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -122.72 115.19 21.65 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.332 -0.395 . . . . 10.0 110.283 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -90.05 100.34 13.18 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.108 0.48 . . . . 10.0 110.445 -179.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 17.4 mt -103.47 136.65 42.82 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.55 -0.75 . . . . 10.0 111.144 -178.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 14.3 t -116.93 129.23 73.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.235 -0.438 . . . . 10.0 109.887 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 14.2 t -92.67 102.37 13.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.398 -0.593 . . . . 10.0 109.398 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 17.6 m -104.71 153.52 6.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.614 -178.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 153.7 -170.34 32.42 Favored Glycine 0 N--CA 1.445 -0.704 0 N-CA-C 111.389 -0.684 . . . . 10.0 111.389 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.91 -178.34 6.95 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.799 0.333 . . . . 10.0 110.483 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.37 141.28 33.44 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.272 0.558 . . . . 10.0 111.044 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.52 5.34 75.32 Favored Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.704 -0.68 . . . . 10.0 112.375 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 35.4 m -84.67 -21.46 8.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.696 0.284 . . . . 10.0 111.102 -179.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.05 27.69 5.55 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.528 -0.844 . . . . 10.0 113.773 178.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 9.8 mtmt -65.35 -34.69 78.92 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.34 0.59 . . . . 10.0 110.462 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 2.1 m -74.77 -47.03 33.21 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.489 -0.778 . . . . 10.0 109.436 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.36 -46.58 69.62 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.866 -0.606 . . . . 10.0 111.156 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 74.2 mt -59.69 -46.77 88.06 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.262 -0.427 . . . . 10.0 111.386 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 16.9 m -66.44 -40.97 89.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.086 -0.507 . . . . 10.0 111.242 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.14 -35.23 70.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.884 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -68.86 -16.39 63.75 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.837 0.351 . . . . 10.0 111.279 179.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 12.8 tp -92.7 -36.34 12.99 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.147 0.498 . . . . 10.0 110.297 179.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 36.3 mm -90.29 -71.71 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.285 -0.416 . . . . 10.0 111.527 -179.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -72.65 -28.23 62.6 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.529 -0.305 . . . . 10.0 111.268 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 70.09 34.38 2.45 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.617 -0.72 . . . . 10.0 112.227 178.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -137.81 149.1 46.08 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.429 -0.351 . . . . 10.0 111.252 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -89.48 124.39 34.45 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.241 -0.436 . . . . 10.0 110.35 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 17.3 m -83.1 166.05 2.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.246 -0.434 . . . . 10.0 110.915 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -122.25 -46.6 2.17 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.133 -0.485 . . . . 10.0 111.109 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -85.63 139.93 31.0 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.916 -0.584 . . . . 10.0 111.363 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -72.03 129.51 38.7 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.66 -0.7 . . . . 10.0 111.106 -179.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . 0.403 ' O ' ' S1G' ' C' ' 201' ' ' GSP . 34.5 t70 -127.07 101.59 25.53 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.16 -0.473 . . . . 10.0 109.76 179.162 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_exo -53.85 122.52 11.52 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 123.17 2.58 . . . . 10.0 112.779 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 3.5 m -96.18 109.68 22.09 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.101 -0.5 . . . . 10.0 110.512 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 46.1 mm -81.19 -50.81 16.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.068 0.461 . . . . 10.0 109.784 179.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -172.66 94.95 0.13 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.119 -0.697 . . . . 10.0 109.119 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.43 139.19 52.49 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.679 0.276 . . . . 10.0 111.022 -179.313 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.44 139.94 50.63 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.209 -0.45 . . . . 10.0 111.161 -179.255 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -129.67 141.36 50.93 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.431 -0.581 . . . . 10.0 109.431 -179.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -120.41 145.78 46.85 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 121.237 -0.185 . . . . 10.0 111.237 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 38.0 tttp -157.73 138.12 12.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.625 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -98.9 123.57 43.25 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.294 -0.632 . . . . 10.0 109.294 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 4.6 m -127.65 -177.29 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 120.937 0.399 . . . . 10.0 111.845 -179.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 10.6 t -115.32 88.8 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.933 -0.576 . . . . 10.0 109.842 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 24.9 mm -85.31 106.86 15.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.41 -0.359 . . . . 10.0 111.498 -178.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 63.78 17.43 10.48 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 115.621 -0.718 . . . . 10.0 111.972 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.69 -13.54 38.69 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.36 -0.924 . . . . 10.0 112.734 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -98.04 145.38 26.58 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.916 0.388 . . . . 10.0 111.324 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 5.5 m -74.37 123.73 25.17 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.805 -0.634 . . . . 10.0 109.594 178.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 10.9 m -138.54 144.07 39.75 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.116 0.484 . . . . 10.0 111.876 -179.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 46.4 tp -107.47 127.82 53.95 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.659 -0.701 . . . . 10.0 109.297 178.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 47.3 mt -102.22 119.83 39.46 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 112.642 0.608 . . . . 10.0 112.642 -178.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -102.51 88.77 3.34 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 107.248 -1.389 . . . . 10.0 107.248 177.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 54.6 mt -99.32 134.3 38.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.904 -0.589 . . . . 10.0 112.326 -177.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 6.8 tt -129.49 124.49 34.1 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.607 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -98.17 131.88 44.16 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.988 -0.375 . . . . 10.0 109.988 179.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.65 172.56 6.85 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.418 -0.355 . . . . 10.0 110.873 179.668 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.82 141.23 29.79 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.949 0.404 . . . . 10.0 110.979 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -111.63 37.01 3.88 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.841 -0.695 . . . . 10.0 111.55 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -100.52 16.31 25.09 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.844 0.354 . . . . 10.0 111.21 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 63.1 -175.17 0.15 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.578 -0.737 . . . . 10.0 111.77 -179.458 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 70.98 23.79 4.17 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.39 0.614 . . . . 10.0 110.349 -179.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -124.33 26.97 7.19 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.464 -0.789 . . . . 10.0 110.508 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.89 -27.58 66.83 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.776 -179.503 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -82.28 -49.98 9.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.903 0.382 . . . . 10.0 111.61 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 22.8 ttp -72.64 -9.24 58.37 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.985 -0.552 . . . . 10.0 112.267 -178.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -49.97 75.89 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.054 -0.521 . . . . 10.0 111.083 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.74 -34.72 67.81 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.787 -0.642 . . . . 10.0 112.141 -179.278 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -52.39 -56.2 16.58 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 112.739 0.644 . . . . 10.0 112.739 -179.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 71' ' ' TYR . . . . . . . . . . . . . 42.5 p90 -86.82 -16.64 35.57 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.675 0.62 . . . . 10.0 112.675 -178.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 39.8 mtt -77.69 -37.74 48.99 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.997 0.427 . . . . 10.0 111.515 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 39.4 ttm105 -71.86 -29.29 64.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.311 -0.404 . . . . 10.0 110.809 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -98.3 8.18 45.19 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.536 -179.286 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -95.3 131.07 10.54 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.522 -0.847 . . . . 10.0 112.499 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -95.57 -36.86 11.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.174 0.511 . . . . 10.0 110.476 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -133.11 129.93 5.59 Favored Glycine 0 N--CA 1.45 -0.384 0 N-CA-C 110.592 -1.003 . . . . 10.0 110.592 179.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 78' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -112.9 120.68 42.24 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 112.49 0.552 . . . . 10.0 112.49 -178.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 25.0 tp -96.87 110.28 22.81 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.769 -0.65 . . . . 10.0 109.44 179.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 28.7 m -88.03 103.82 16.07 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.707 -0.479 . . . . 10.0 109.707 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 64.5 t -104.46 127.35 58.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.882 -0.599 . . . . 10.0 111.325 -179.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 27.5 p90 -132.65 165.83 23.56 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.964 -0.562 . . . . 10.0 109.516 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -103.65 128.76 50.92 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 110.04 -0.356 . . . . 10.0 110.04 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 84' ' ' ILE . . . . . . . . . . . . . 2.3 pt -65.59 -20.02 26.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.052 0.453 . . . . 10.0 111.275 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 21.2 p-10 -98.36 12.28 35.39 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.921 -0.581 . . . . 10.0 111.022 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -143.88 97.07 3.0 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.826 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.42 -28.23 68.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.872 -0.604 . . . . 10.0 112.253 -179.389 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -52.42 -52.09 55.71 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.251 -0.431 . . . . 10.0 111.103 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 35.7 p -63.46 -34.09 76.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.159 -0.473 . . . . 10.0 111.896 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -62.99 -41.64 99.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.774 0.321 . . . . 10.0 110.707 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -74.75 -34.15 62.46 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.736 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.35 -28.09 66.52 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.622 -0.717 . . . . 10.0 111.403 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 47.5 mm -54.94 -44.79 74.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.957 -0.565 . . . . 10.0 111.462 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -59.47 -44.6 92.97 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.122 0.487 . . . . 10.0 110.592 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 84.7 m-70 -60.54 -38.96 86.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.745 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -74.7 -40.27 61.45 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.014 -0.539 . . . . 10.0 111.123 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 9.7 ttt180 -58.22 -49.4 77.19 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.874 0.369 . . . . 10.0 110.731 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -65.71 -33.56 76.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.56 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -66.04 -48.89 69.58 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.903 -0.589 . . . . 10.0 110.499 179.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 73.8 mt -55.59 -46.47 79.16 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.74 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 14.5 mtmt -67.06 -27.14 67.14 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.893 -0.594 . . . . 10.0 111.307 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 9.0 tmm_? -76.62 -36.37 57.48 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.961 0.41 . . . . 10.0 110.286 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 60.7 t -74.35 -44.06 48.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 10.0 111.04 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 30.5 mtpp -86.15 -10.2 55.23 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 111.964 0.357 . . . . 10.0 111.964 -178.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 3.7 t70 54.47 52.27 12.67 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.618 0.723 . . . . 10.0 111.499 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 57.2 m -158.15 138.55 12.65 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.58 -0.736 . . . . 10.0 109.619 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 36.8 tp10 -80.8 -32.12 35.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.174 0.511 . . . . 10.0 110.572 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.33 98.09 11.5 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.991 -0.549 . . . . 10.0 111.093 -179.754 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 56.3 t -128.39 129.94 23.57 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 116.07 -0.514 . . . . 10.0 110.126 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -60.31 111.17 0.93 Allowed 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.721 2.281 . . . . 10.0 111.124 179.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 111' ' ' MET . . . . . . . . . . . . . 63.8 mtm -143.39 153.68 42.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.426 -179.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 74.7 t -136.69 135.97 48.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 109.334 -0.617 . . . . 10.0 109.334 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 22.2 tp -97.09 116.05 28.59 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 109.432 -0.581 . . . . 10.0 109.432 179.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 41.2 t -123.27 127.46 74.43 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-O 120.967 0.413 . . . . 10.0 111.36 -178.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -96.94 131.8 10.75 Favored Glycine 0 N--CA 1.442 -0.932 0 N-CA-C 110.229 -1.148 . . . . 10.0 110.229 178.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -108.31 162.3 14.22 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.943 0.371 . . . . 10.0 110.889 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 90.8 mttt 62.75 27.53 16.13 Favored 'General case' 0 N--CA 1.46 0.071 0 O-C-N 123.737 0.648 . . . . 10.0 111.569 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 118' ' ' CYS . . . . . . . . . . . . . 71.2 m -65.16 -9.3 21.97 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 113.318 0.859 . . . . 10.0 113.318 -179.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 119' ' ' ASP . . . . . 0.44 ' CG ' ' HZ1' ' C' ' 147' ' ' LYS . 1.1 p-10 -95.02 2.61 55.33 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.737 0.304 . . . . 10.0 111.38 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 30.1 mt -84.67 136.06 39.83 Favored Pre-proline 0 C--N 1.327 -0.388 0 C-N-CA 121.006 -0.278 . . . . 10.0 110.634 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -67.01 144.13 68.66 Favored 'Trans proline' 0 C--O 1.235 0.342 0 C-N-CA 123.068 2.512 . . . . 10.0 112.381 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 7.1 m 66.42 88.2 0.11 Allowed 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.646 -0.706 . . . . 10.0 111.97 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -97.67 143.86 27.9 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.969 -0.559 . . . . 10.0 111.182 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.71 -37.24 13.84 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.178 0.513 . . . . 10.0 110.172 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 59.2 t -89.89 126.19 42.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.569 -0.741 . . . . 10.0 109.53 179.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -80.45 143.3 33.51 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.371 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.23 -50.65 72.82 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.321 -0.399 . . . . 10.0 110.918 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.19 -40.24 77.0 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 113.072 0.767 . . . . 10.0 113.072 -179.381 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -68.7 -38.68 80.45 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 120.495 -0.482 . . . . 10.0 111.186 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -70.89 -36.9 72.94 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 121.024 0.44 . . . . 10.0 110.014 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -65.25 -46.28 81.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.718 -0.674 . . . . 10.0 110.597 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -65.54 -37.54 87.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 10.0 111.04 179.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 22.6 tp -60.45 -49.04 79.14 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.209 -0.45 . . . . 10.0 109.926 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.04 -38.92 93.1 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.009 179.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? -63.26 -42.55 99.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.595 -0.729 . . . . 10.0 110.134 179.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 7.4 t -61.28 -35.3 76.94 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.056 -0.52 . . . . 10.0 111.585 -179.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -86.67 -33.07 20.19 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.265 0.469 . . . . 10.0 112.265 -179.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 102.99 29.25 5.86 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.819 -0.705 . . . . 10.0 112.549 179.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 36.0 pt -120.09 148.46 46.99 Favored Pre-proline 0 C--N 1.32 -0.708 0 N-CA-C 110.084 -0.339 . . . . 10.0 110.084 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -70.82 141.58 41.23 Favored 'Trans proline' 0 C--O 1.234 0.302 0 C-N-CA 122.894 2.396 . . . . 10.0 111.595 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -116.92 127.41 54.21 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.369 -0.378 . . . . 10.0 110.336 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 47.5 mt -129.63 133.82 64.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 116.278 -0.419 . . . . 10.0 111.396 -179.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.22 124.21 41.23 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 108.646 -0.872 . . . . 10.0 108.646 178.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 14.8 p -143.39 -177.39 5.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.707 0.765 . . . . 10.0 112.945 -178.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 26.0 t -150.96 125.74 9.7 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.022 -1.103 . . . . 10.0 108.022 178.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 146' ' ' ALA . . . . . 0.486 ' N ' ' O6 ' ' C' ' 201' ' ' GSP . . . -71.99 -20.89 61.65 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.15 0.5 . . . . 10.0 110.381 -179.57 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 147' ' ' LYS . . . . . 0.44 ' HZ1' ' CG ' ' C' ' 119' ' ' ASP . 5.6 ttpm? -73.83 -46.98 41.76 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.718 -0.674 . . . . 10.0 110.861 179.454 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 7.9 p -81.8 -23.93 36.25 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.912 -0.315 . . . . 10.0 110.7 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 69.32 7.32 6.17 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 123.648 0.779 . . . . 10.0 112.48 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -80.46 126.41 31.17 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.966 -0.561 . . . . 10.0 111.002 -179.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 90.09 -15.23 60.06 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 121.081 -0.581 . . . . 10.0 112.853 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 92.4 t -57.11 -43.44 81.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-O 121.148 0.499 . . . . 10.0 111.402 -179.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -65.46 -45.42 83.82 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.296 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -63.62 -36.39 83.66 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.073 -0.512 . . . . 10.0 111.605 -179.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -59.15 -53.37 59.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.308 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -64.91 -37.41 87.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.13 -0.487 . . . . 10.0 110.765 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -60.21 -45.71 92.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.027 0.442 . . . . 10.0 110.653 179.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 30.3 m -62.87 -37.77 88.22 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.543 179.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 23.3 tp -59.4 -39.44 83.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.073 0.463 . . . . 10.0 110.015 179.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 98.3 t -68.08 -40.84 83.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.858 179.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.33 -34.42 78.11 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.337 0.495 . . . . 10.0 112.337 -179.205 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -59.78 -37.38 78.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.869 0.366 . . . . 10.0 110.864 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 65.6 mt -66.32 -40.97 88.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 109.648 -0.501 . . . . 10.0 109.648 178.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -65.18 -40.08 93.76 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.882 -0.599 . . . . 10.0 109.896 179.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -64.53 -48.37 75.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.467 -0.788 . . . . 10.0 110.09 179.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -57.8 -46.76 84.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.706 -0.679 . . . . 10.0 110.852 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -63.32 -45.79 89.69 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.243 0.46 . . . . 10.0 112.243 -179.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.18 -53.54 51.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.076 0.465 . . . . 10.0 111.092 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -63.51 -33.24 75.14 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.78 -0.645 . . . . 10.0 112.035 -179.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -74.15 -22.15 59.56 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.868 0.322 . . . . 10.0 111.868 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 48.1 m -71.32 -20.22 62.21 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.454 -0.572 . . . . 10.0 109.454 179.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 50.6 mttm -104.42 -2.12 25.84 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.613 -0.722 . . . . 10.0 110.023 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 173' ' ' ASP . . . . . . . . . . . . . 11.6 t70 73.29 -51.57 0.7 Allowed 'General case' 0 N--CA 1.465 0.305 0 O-C-N 124.237 0.961 . . . . 10.0 111.732 -179.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . -160.9 -86.53 0.06 OUTLIER Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 111.418 -0.673 . . . . 10.0 111.418 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 175' ' ' LYS . . . . . . . . . . . . . 50.0 mttt -140.09 -94.01 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 110.628 -0.138 . . . . 10.0 110.628 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 176' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt 54.39 56.02 7.39 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.061 0.458 . . . . 10.0 111.782 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 177' ' ' LYS . . . . . . . . . . . . . 22.4 ttpt -135.54 -76.0 0.44 Allowed 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.653 -0.419 . . . . 10.0 111.832 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 178' ' ' LYS . . . . . 0.467 ' NZ ' ' C3 ' ' C' ' 215' ' ' 17F . 16.9 mmtm 65.5 179.14 0.2 Allowed 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.022 -0.536 . . . . 10.0 111.691 -178.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 179' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -156.39 141.47 17.29 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.956 -0.387 . . . . 10.0 109.956 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 180' ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -142.31 126.29 17.26 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.171 -0.468 . . . . 10.0 109.835 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 1.1 p -157.94 85.04 0.88 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.716 -0.675 . . . . 10.0 110.061 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 182' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -109.51 113.02 25.47 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.13 0.49 . . . . 10.0 112.007 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.18 160.62 18.44 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.506 -0.77 . . . . 10.0 110.25 179.616 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 184' ' ' LYS . . . . . . . . . . . . . 51.5 mmtt . . . . . 0 C--O 1.233 0.228 0 C-N-CA 121.017 -0.273 . . . . 10.0 111.451 179.656 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 401' ' ' PCW . . . . . 0.422 ' C22' ' C18' ' A' ' 401' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 402' ' ' PCW . . . . . 0.494 ' C35' ' C31' ' A' ' 402' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 403' ' ' PCW . . . . . 0.6 ' C31' ' C35' ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 404' ' ' PCW . . . . . 0.525 ' O2P' ' C5 ' ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 405' ' ' PCW . . . . . 0.429 ' O11' ' C2 ' ' A' ' 405' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 406' ' ' PCW . . . . . 0.622 ' O3P' ' O31' ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 407' ' ' PCW . . . . . 0.763 ' C21' ' C17' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 408' ' ' PCW . . . . . 0.579 ' O4P' ' C6 ' ' A' ' 408' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 409' ' ' PCW . . . . . 0.808 ' C14' ' C19' ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 410' ' ' PCW . . . . . 0.467 ' O11' ' C2 ' ' A' ' 410' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 411' ' ' PCW . . . . . 0.635 ' C21' ' C17' ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 412' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 413' ' ' PCW . . . . . 0.436 ' C11' ' O31' ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 414' ' ' PCW . . . . . 0.6 ' C47' ' C43' ' A' ' 414' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 415' ' ' 17F . . . . . 0.525 ' C2 ' ' O1 ' ' A' ' 415' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 416' ' ' 17F . . . . . 0.413 ' O10' ' O6 ' ' A' ' 416' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 417' ' ' PCW . . . . . 0.482 ' C41' ' C37' ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 418' ' ' PCW . . . . . 0.632 ' C41' ' C37' ' A' ' 418' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 419' ' ' PCW . . . . . 0.429 ' C40' ' C44' ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 420' ' ' PCW . . . . . 0.509 ' C31' ' O3 ' ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 421' ' ' PCW . . . . . 0.573 ' O3P' ' O31' ' A' ' 421' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 422' ' ' 17F . . . . . 0.581 ' C6 ' ' C14' ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 601' ' ' PCW . . . . . 0.647 ' C42' ' C46' ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 602' ' ' PCW . . . . . 0.598 ' C21' ' C17' ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 603' ' ' PCW . . . . . 0.544 ' O2P' ' N1 ' ' C' ' 219' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 604' ' ' PCW . . . . . 0.535 ' C11' ' C31' ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 605' ' ' PCW . . . . . 0.759 ' O31' ' P ' ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 606' ' ' PCW . . . . . 0.63 ' C14' ' C18' ' D' ' 606' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 607' ' ' PCW . . . . . 0.54 ' C11' ' O31' ' D' ' 607' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 608' ' ' PCW . . . . . 0.563 ' C15' ' C19' ' D' ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 609' ' ' PCW . . . . . 0.483 ' C11' ' O31' ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 610' ' ' PCW . . . . . 0.611 ' C20' ' C24' ' D' ' 610' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 611' ' ' PCW . . . . . 0.444 ' C35' ' C22' ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 612' ' ' PCW . . . . . 0.544 ' O2P' ' C6 ' ' D' ' 620' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 613' ' ' PCW . . . . . 0.778 ' C21' ' C17' ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 614' ' ' PCW . . . . . 0.613 ' C6 ' ' O31' ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 615' ' ' PCW . . . . . 0.652 ' C46' ' C42' ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 616' ' ' PCW . . . . . 0.531 ' C5 ' ' O4 ' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 617' ' ' PCW . . . . . 0.495 ' P ' ' O2 ' ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 618' ' ' PCW . . . . . 0.69 ' C23' ' C27' ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 619' ' ' PCW . . . . . 0.483 ' O3P' ' O31' ' D' ' 619' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 620' ' ' PCW . . . . . 0.544 ' C6 ' ' O2P' ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 621' ' ' PCW . . . . . 0.546 ' O4P' ' C7 ' ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 622' ' ' PCW . . . . . 0.581 ' C14' ' C6 ' ' A' ' 422' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 623' ' ' PCW . . . . . 0.709 ' C32' ' C36' ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 624' ' ' PCW . . . . . 0.649 ' C24' ' C20' ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 625' ' ' PCW . . . . . 0.598 ' C15' ' C19' ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 626' ' ' PCW . . . . . 0.668 ' C23' ' C27' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 627' ' ' PCW . . . . . 0.661 ' C20' ' C35' ' C' ' 217' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 628' ' ' 17F . . . . . 0.636 ' C31' ' C19' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 629' ' ' 17F . . . . . 0.549 ' O7 ' ' C17' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 630' ' ' 17F . . . . . 0.468 ' O10' ' O6 ' ' D' ' 630' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 631' ' ' 17F . . . . . 0.606 ' O10' ' O7 ' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 632' ' ' 17F . . . . . 0.602 ' C6 ' ' O10' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 201' ' ' GSP . . . . . 0.617 ' O3G' 'MG ' ' B' ' 202' ' ' ' MG' . . . . . . . . 0 O4'--C1' 1.437 1.926 2 O4'-C1'-N19 112.978 4.778 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 202' ' ' ' MG' . . . . . 0.617 'MG ' ' O3G' ' B' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 203' ' ' PCW . . . . . 0.42 ' C32' ' C1X' ' B' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 204' ' ' PCW . . . . . 0.702 ' C21' ' C17' ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 205' ' ' PCW . . . . . 0.666 ' C3 ' ' O1P' ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 206' ' ' PCW . . . . . 0.578 ' C6 ' ' O4P' ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 207' ' ' PCW . . . . . 0.53 ' O11' ' C7 ' ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 208' ' ' PCW . . . . . 0.604 ' C43' ' C47' ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 209' ' ' 17F . . . . . 0.667 ' C31' ' C19' ' B' ' 209' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 210' ' ' 17F . . . . . 0.541 ' C24' ' C12' ' B' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 211' ' ' 17F . . . . . 0.538 ' C17' ' O7 ' ' B' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 201' ' ' GSP . . . . . 0.637 ' O3G' 'MG ' ' C' ' 202' ' ' ' MG' . . . . . . . . 0 O4'--C1' 1.438 1.96 2 O4'-C1'-N19 113.597 5.397 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 202' ' ' ' MG' . . . . . 0.637 'MG ' ' O3G' ' C' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 203' ' ' PCW . . . . . 0.629 ' C21' ' C25' ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 204' ' ' PCW . . . . . 0.659 ' C42' ' C46' ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 205' ' ' PCW . . . . . 0.448 ' O4P' ' C8 ' ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 206' ' ' PCW . . . . . 0.477 ' O31' ' O3 ' ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 207' ' ' PCW . . . . . 0.594 ' O1P' ' C3 ' ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 208' ' ' PCW . . . . . 0.484 ' O3 ' ' O31' ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 209' ' ' PCW . . . . . 0.667 ' C22' ' C26' ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 210' ' ' PCW . . . . . 0.681 ' C26' ' C22' ' C' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 211' ' ' PCW . . . . . 0.472 ' O2 ' ' O11' ' C' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 212' ' ' PCW . . . . . 0.648 ' C20' ' C24' ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 213' ' ' 17F . . . . . 0.558 ' C1Y' ' C42' ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 214' ' ' 17F . . . . . 0.545 ' O10' ' C7 ' ' C' ' 214' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 215' ' ' 17F . . . . . 0.625 ' N1 ' ' O2 ' ' C' ' 215' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 216' ' ' PCW . . . . . 0.517 ' O2 ' ' O11' ' C' ' 216' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 217' ' ' PCW . . . . . 0.661 ' C35' ' C20' ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 218' ' ' 17F . . . . . 0.651 ' O10' ' N1 ' ' C' ' 218' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 219' ' ' 17F . . . . . 0.544 ' N1 ' ' O2P' ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 76.4 mt . . . . . 0 N--CA 1.461 0.109 0 CA-C-O 121.071 0.462 . . . . 10.0 110.311 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 8.4 tmtm? -59.65 -47.63 84.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.464 -0.789 . . . . 10.0 111.133 -179.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 96.0 mt -71.57 -23.92 61.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.434 . . . . 10.0 111.409 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 73.5 mt -79.03 -50.26 11.36 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.886 0.374 . . . . 10.0 111.19 -179.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -63.47 -45.65 89.82 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.87 -0.604 . . . . 10.0 111.169 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -62.68 -31.3 72.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.846 -0.615 . . . . 10.0 110.664 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 24.5 t90 -67.81 -35.57 78.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.764 -0.653 . . . . 10.0 110.226 179.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -63.62 -38.28 90.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.909 0.385 . . . . 10.0 110.128 179.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 1.6 m -63.28 -42.99 99.16 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.003 -0.544 . . . . 10.0 109.638 178.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 61.7 t -67.01 -39.25 82.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 109.275 -0.639 . . . . 10.0 109.275 178.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 84.8 m -61.39 -46.91 88.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.746 -0.661 . . . . 10.0 110.63 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.6 -30.99 72.01 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.062 0.458 . . . . 10.0 110.375 179.628 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 47.3 m -65.82 -42.41 90.64 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 108.449 -0.945 . . . . 10.0 108.449 177.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -68.1 -35.25 77.86 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.496 -0.775 . . . . 10.0 110.193 179.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 13.7 m -62.35 -49.9 73.74 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.447 -0.575 . . . . 10.0 109.447 178.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 28.3 mmtp -64.23 -33.93 76.93 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.121 179.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 20.5 mt -65.01 -46.02 83.12 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.274 178.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 82.1 mtt180 -62.92 -33.41 75.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.091 0.472 . . . . 10.0 110.187 179.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -68.78 -39.45 80.16 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.533 -0.758 . . . . 10.0 110.21 178.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -75.82 -33.16 60.07 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.243 179.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 24.8 mt -52.99 -34.58 56.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.761 -0.654 . . . . 10.0 111.105 179.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -57.87 -70.56 0.95 Allowed Glycine 0 C--N 1.334 0.428 0 N-CA-C 111.274 -0.731 . . . . 10.0 111.274 178.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -53.54 -40.96 77.06 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.508 2.139 . . . . 10.0 111.544 178.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 21.2 t -55.86 -52.86 44.38 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.156 0 CA-C-N 116.619 -0.264 . . . . 10.0 111.494 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 7.7 p -64.17 -38.76 92.22 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.73 -0.388 . . . . 10.0 110.797 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -60.08 -51.19 70.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.35 -0.386 . . . . 10.0 110.457 179.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -65.78 -42.86 90.28 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.343 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.72 -51.91 67.74 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.048 -0.524 . . . . 10.0 110.798 179.452 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 19.9 m95 -64.82 -37.83 88.94 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 116.423 -0.353 . . . . 10.0 111.265 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -61.43 -50.42 72.89 Favored 'General case' 0 C--N 1.333 -0.117 0 N-CA-C 109.663 -0.495 . . . . 10.0 109.663 178.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -66.12 -39.11 89.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.358 179.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 11.5 mt -62.45 -38.43 89.73 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.711 -0.477 . . . . 10.0 109.711 178.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -68.54 -25.77 65.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.729 178.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 69.7 mttt -71.94 -40.45 68.73 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.053 -1.091 . . . . 10.0 108.053 177.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -69.24 -45.08 70.65 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 114.98 -1.009 . . . . 10.0 110.09 179.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 18.4 p -65.0 -40.04 94.35 Favored 'General case' 0 C--O 1.223 -0.323 0 N-CA-C 109.568 -0.53 . . . . 10.0 109.568 178.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -58.89 -43.93 91.06 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 109.222 -0.659 . . . . 10.0 109.222 178.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -63.53 -45.49 94.62 Favored Glycine 0 N--CA 1.444 -0.783 0 N-CA-C 110.304 -1.118 . . . . 10.0 110.304 178.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 72.8 mt -63.48 -26.09 68.56 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.722 0.296 . . . . 10.0 110.684 179.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 60.6 mtt180 -72.67 -40.0 66.65 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.125 -0.694 . . . . 10.0 109.125 178.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -68.92 -43.68 74.65 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.229 -1.026 . . . . 10.0 108.229 177.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -69.14 -21.47 64.01 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.194 -0.912 . . . . 10.0 110.995 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 49.9 ttm -64.41 -38.69 91.9 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.198 0.523 . . . . 10.0 109.615 178.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 2.1 m -76.61 7.14 4.86 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.39 -0.823 . . . . 10.0 110.044 179.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -120.97 -58.84 1.78 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.36 -0.607 . . . . 10.0 109.36 178.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 246' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -56.27 -54.34 46.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 10.0 111.245 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . 63.1 mt -77.46 -45.44 25.7 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.845 0.683 . . . . 10.0 112.845 -178.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -61.01 -49.44 77.41 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.366 0.506 . . . . 10.0 112.366 -179.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -67.6 -37.91 83.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.416 -0.357 . . . . 10.0 110.701 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 250' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -67.45 -28.07 40.85 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.343 0 C-N-CA 120.428 -0.509 . . . . 10.0 110.79 179.551 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 56.1 mttt -78.08 -40.87 37.17 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 109.917 -0.401 . . . . 10.0 109.917 178.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -68.77 -36.64 78.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.798 -0.637 . . . . 10.0 109.958 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -83.83 -25.48 30.32 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.698 -0.683 . . . . 10.0 112.167 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 254' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -62.71 -26.37 40.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.9 0.381 . . . . 10.0 110.616 179.561 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -61.78 -63.22 4.52 Favored Pre-proline 0 N--CA 1.452 -0.374 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.438 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -66.92 -32.08 36.49 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 121.799 1.666 . . . . 10.0 111.751 178.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 4.6 m-30 -61.87 -55.87 25.21 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.868 0.366 . . . . 10.0 110.461 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 43.2 mt -68.18 -31.97 71.89 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 115.954 -0.567 . . . . 10.0 111.027 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -67.33 -44.94 77.86 Favored 'General case' 0 C--O 1.224 -0.274 0 N-CA-C 110.124 -0.325 . . . . 10.0 110.124 179.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -61.51 -48.29 81.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.016 -0.538 . . . . 10.0 109.786 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -65.04 -40.61 95.04 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 115.876 -0.602 . . . . 10.0 111.16 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -66.51 -42.29 87.55 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.775 -0.454 . . . . 10.0 109.775 179.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -56.55 -53.4 58.04 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.126 -0.694 . . . . 10.0 109.126 178.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 264' ' ' LYS . . . . . . . . . . . . . 75.2 mttt -66.62 -35.61 80.6 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.49 -0.777 . . . . 10.0 111.125 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -62.37 -43.77 98.03 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 120.978 0.418 . . . . 10.0 110.39 179.417 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -61.59 -41.29 97.21 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.364 -0.606 . . . . 10.0 109.364 178.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -66.19 -36.64 83.61 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.682 -0.69 . . . . 10.0 109.835 178.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -63.15 -46.19 88.34 Favored 'General case' 0 CA--C 1.519 -0.217 0 N-CA-C 108.385 -0.969 . . . . 10.0 108.385 177.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 87.8 mmm -61.73 -38.8 89.27 Favored 'General case' 0 C--O 1.225 -0.21 0 CA-C-N 115.705 -0.679 . . . . 10.0 109.832 178.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -63.55 -43.27 97.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.151 -0.477 . . . . 10.0 109.8 178.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 88.6 mt -66.06 -36.38 83.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.768 -0.651 . . . . 10.0 109.693 178.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -68.06 -41.12 82.46 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.455 -0.572 . . . . 10.0 109.455 178.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 63.2 mtt180 -63.28 -45.86 89.52 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 115.921 -0.582 . . . . 10.0 110.916 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -72.48 -8.01 52.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.367 -0.379 . . . . 10.0 111.927 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 275' ' ' LYS . . . . . . . . . . . . . 9.9 mptt -104.57 -45.95 4.49 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.504 -0.317 . . . . 10.0 110.965 179.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 8.6 p -54.98 -33.48 29.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 112.676 0.621 . . . . 10.0 112.676 -179.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -66.94 -61.55 4.76 Favored Pre-proline 0 C--N 1.329 -0.3 0 C-N-CA 120.841 -0.344 . . . . 10.0 111.915 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -66.0 -37.66 25.43 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 121.882 1.721 . . . . 10.0 112.172 178.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 22.8 mt -62.96 -40.36 97.46 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 121.027 -0.269 . . . . 10.0 110.692 179.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 37.3 ttm180 -66.41 -32.97 74.69 Favored 'General case' 0 C--N 1.334 -0.085 0 N-CA-C 109.406 -0.591 . . . . 10.0 109.406 178.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -66.0 -49.2 68.61 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.009 -0.737 . . . . 10.0 109.009 178.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -60.0 -45.28 93.28 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.686 -0.688 . . . . 10.0 109.444 178.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 20.9 mt -60.36 -44.41 95.6 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 115.654 -0.703 . . . . 10.0 110.674 179.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -65.5 -47.44 75.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.682 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -59.91 -48.01 83.44 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.757 -0.46 . . . . 10.0 109.757 179.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -62.46 -46.02 94.69 Favored Glycine 0 N--CA 1.441 -1.033 0 N-CA-C 111.337 -0.705 . . . . 10.0 111.337 179.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -60.46 -44.22 96.08 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 110.559 -0.163 . . . . 10.0 110.559 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 81.4 mtt180 -57.09 -50.4 72.89 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 123.389 0.431 . . . . 10.0 110.11 179.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -64.59 -46.52 82.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.962 -0.563 . . . . 10.0 111.475 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 73.5 mttt -63.09 -43.97 97.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.421 -0.354 . . . . 10.0 110.99 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 87.8 mt -67.98 -33.67 75.07 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.441 -0.345 . . . . 10.0 110.834 179.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -68.17 -41.62 81.21 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.024 -0.732 . . . . 10.0 109.024 178.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.02 -31.83 73.16 Favored 'General case' 0 N--CA 1.457 -0.08 0 N-CA-C 109.152 -0.685 . . . . 10.0 109.152 178.563 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 73.4 mt -70.0 -41.44 74.36 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.016 -0.735 . . . . 10.0 109.016 177.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -63.12 -31.36 72.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.801 -0.636 . . . . 10.0 109.695 178.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 48.2 mm-40 -65.3 -11.1 38.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.548 -0.751 . . . . 10.0 110.663 178.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 5.6 mmtp -117.69 -39.46 3.13 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.321 -0.399 . . . . 10.0 110.297 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 81.5 mt -61.42 -30.9 70.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.26 -0.427 . . . . 10.0 111.833 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 299' ' ' SER . . . . . . . . . . . . . 19.7 m -79.87 -63.56 0.36 Allowed Pre-proline 0 CA--C 1.542 0.643 0 N-CA-C 113.017 0.747 . . . . 10.0 113.017 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 300' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -68.32 -53.8 0.35 Allowed 'Trans proline' 0 C--N 1.355 0.874 0 C-N-CA 121.914 1.743 . . . . 10.0 112.563 -179.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 79.6 mt -65.93 -30.52 71.11 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.788 0.327 . . . . 10.0 110.162 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -66.01 -44.0 92.39 Favored Glycine 0 N--CA 1.445 -0.731 0 N-CA-C 110.243 -1.143 . . . . 10.0 110.243 178.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -68.08 -41.74 81.45 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.434 -0.58 . . . . 10.0 109.434 178.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -60.93 -39.17 88.42 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.761 -0.654 . . . . 10.0 109.748 178.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 13.5 tpt -62.62 -34.81 77.78 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.758 -0.655 . . . . 10.0 109.964 179.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 91.3 mtt180 -69.83 -43.43 71.99 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 121.146 0.498 . . . . 10.0 109.689 179.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -60.95 -47.28 87.16 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.785 -0.643 . . . . 10.0 109.547 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -69.92 -26.72 64.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.787 178.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -69.19 -39.22 78.79 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 108.769 -0.826 . . . . 10.0 108.769 178.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 310' ' ' ARG . . . . . . . . . . . . . 80.4 mtt180 -59.24 -46.36 88.71 Favored 'General case' 0 CA--C 1.516 -0.327 0 N-CA-C 108.641 -0.874 . . . . 10.0 108.641 177.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -66.39 -41.03 89.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.622 -0.717 . . . . 10.0 110.108 179.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.68 -51.95 66.81 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.016 178.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 58.6 t -73.35 -35.1 45.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.581 -0.736 . . . . 10.0 111.78 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -61.63 -46.76 88.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.665 0.269 . . . . 10.0 110.559 179.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -62.31 -35.95 80.63 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.172 -0.677 . . . . 10.0 109.172 178.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 29.4 mt -67.83 -45.72 73.87 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.456 178.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 9.1 mtm105 -59.88 -51.86 67.92 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.982 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 1.9 m -63.37 -23.15 67.28 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.076 -0.511 . . . . 10.0 111.754 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 2.6 m80 -91.4 -44.63 9.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.745 0.307 . . . . 10.0 111.665 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 93.7 mt -71.87 -25.68 62.05 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.432 0.531 . . . . 10.0 112.432 -179.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -58.06 -58.21 20.34 Favored Pre-proline 0 CA--C 1.538 0.488 0 N-CA-C 111.442 0.164 . . . . 10.0 111.442 179.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -68.2 -27.43 35.1 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 121.616 1.544 . . . . 10.0 110.545 178.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 11.6 m-30 -65.73 -43.96 87.48 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.402 179.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 3.0 p -70.83 -31.44 68.17 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 109.257 -0.646 . . . . 10.0 109.257 178.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -62.16 -44.65 96.15 Favored 'General case' 0 N--CA 1.462 0.167 0 N-CA-C 108.633 -0.877 . . . . 10.0 108.633 177.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -70.0 -35.22 74.21 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-N 115.525 -0.761 . . . . 10.0 109.205 178.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 13.7 mt -61.54 -39.07 89.76 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.223 178.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 70.6 mtt180 -59.99 -43.68 95.01 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.267 -0.642 . . . . 10.0 109.267 178.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -69.26 -40.92 77.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.564 -0.743 . . . . 10.0 110.23 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 27.6 mtt-85 -62.03 -47.74 83.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.404 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 40.6 mt -60.67 -41.89 95.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.934 -0.575 . . . . 10.0 110.099 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -63.22 -50.48 70.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.152 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -57.95 -46.75 84.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.888 179.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 73.8 mtt-85 -62.91 -47.61 82.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.422 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 50.0 mt -61.0 -41.21 96.09 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-N 116.182 -0.463 . . . . 10.0 111.333 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -65.76 -42.85 90.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.761 0.315 . . . . 10.0 110.489 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -63.32 -45.62 90.46 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.527 -0.545 . . . . 10.0 109.527 179.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 96.6 mt -71.22 -10.29 59.51 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.532 -0.758 . . . . 10.0 111.448 179.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -92.32 -47.02 7.41 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.511 -0.551 . . . . 10.0 109.511 178.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -69.63 -46.21 66.73 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.963 -0.562 . . . . 10.0 109.925 179.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -74.95 -33.68 61.97 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.778 -0.823 . . . . 10.0 108.778 178.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -64.91 -39.02 96.22 Favored Glycine 0 N--CA 1.45 -0.426 0 CA-C-N 115.461 -0.79 . . . . 10.0 111.781 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -63.14 -40.71 99.48 Favored Glycine 0 N--CA 1.45 -0.385 0 N-CA-C 110.894 -0.882 . . . . 10.0 110.894 178.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -65.9 -42.79 89.76 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.264 -0.643 . . . . 10.0 109.264 178.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 44.8 mtm180 -62.85 -41.53 99.39 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.228 178.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 24.7 mt -66.35 -46.94 75.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.449 -0.341 . . . . 10.0 110.698 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.49 -42.55 96.53 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.085 0.469 . . . . 10.0 110.184 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -67.1 -45.04 78.43 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.98 -0.555 . . . . 10.0 110.899 179.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -61.85 -37.01 82.9 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-O 120.964 0.411 . . . . 10.0 110.171 179.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.41 -44.01 88.76 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.63 -0.714 . . . . 10.0 109.461 178.424 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -63.71 -44.32 93.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.001 178.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 14.2 mttm -61.83 -39.83 93.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.802 -0.636 . . . . 10.0 109.682 178.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.82 -35.0 79.06 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.194 179.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 40.4 m -66.35 -43.38 86.22 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.451 -0.574 . . . . 10.0 109.451 178.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -66.87 -32.6 73.98 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 109.211 -0.663 . . . . 10.0 109.211 178.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -67.0 -28.78 68.53 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.594 -0.73 . . . . 10.0 109.527 178.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 48.0 mt -72.97 -34.51 66.52 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.43 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.82 -44.77 88.77 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.546 -0.539 . . . . 10.0 109.546 179.052 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.39 -32.24 66.22 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 116.003 -0.544 . . . . 10.0 109.729 179.014 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 41.0 tp -65.31 -35.84 82.24 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 108.899 -0.778 . . . . 10.0 108.899 178.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 71.1 m -64.42 -29.67 70.73 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.655 -0.702 . . . . 10.0 110.035 179.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -71.48 -17.39 62.36 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.153 0.501 . . . . 10.0 109.847 178.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 363' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -97.7 -37.31 9.94 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.635 -0.711 . . . . 10.0 109.452 178.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -77.02 -31.32 56.25 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.921 0.712 . . . . 10.0 112.921 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 69.5 mttt -100.35 -71.67 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 N-CA-C 112.421 0.526 . . . . 10.0 112.421 -179.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -64.76 -56.7 0.37 Allowed 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 121.836 1.691 . . . . 10.0 113.128 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 367' ' ' ALA . . . . . . . . . . . . . . . -57.56 -47.67 81.42 Favored 'General case' 0 C--O 1.225 -0.195 0 N-CA-C 112.684 0.624 . . . . 10.0 112.684 -179.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 10.5 mt -62.09 -43.52 98.67 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.943 -0.303 . . . . 10.0 110.833 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -62.23 -44.61 96.18 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.975 -0.75 . . . . 10.0 108.975 178.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -59.78 -43.33 94.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.459 -0.791 . . . . 10.0 109.806 179.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 75.4 mt -63.3 -47.58 81.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.519 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -60.91 -44.43 97.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.291 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -63.17 -30.21 71.41 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.84 -0.618 . . . . 10.0 111.3 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -83.65 -34.69 18.54 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.766 -0.73 . . . . 10.0 111.598 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 83.9 mt -74.25 -32.31 62.91 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.376 0.509 . . . . 10.0 112.376 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 68.8 mt -51.27 -59.43 7.77 Favored Pre-proline 0 CA--C 1.535 0.38 0 N-CA-C 112.269 0.47 . . . . 10.0 112.269 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -61.45 -29.84 85.84 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.197 1.932 . . . . 10.0 111.455 178.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 38.1 t -64.69 -43.51 96.59 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.12 0 N-CA-C 108.697 -0.853 . . . . 10.0 108.697 178.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 55.1 mt -63.9 -37.72 88.44 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.422 -0.585 . . . . 10.0 109.422 178.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -59.17 -52.49 65.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.692 -0.686 . . . . 10.0 110.32 179.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 4.0 p -67.36 -39.93 85.74 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.404 -0.362 . . . . 10.0 110.688 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.34 -44.76 88.84 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.425 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -60.19 -41.18 92.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.407 -0.361 . . . . 10.0 110.758 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 55.0 t -62.02 -47.23 94.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 109.934 -0.395 . . . . 10.0 109.934 179.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 12.3 m -62.99 -49.23 75.52 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.706 -0.679 . . . . 10.0 110.828 179.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -61.82 -43.25 99.22 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.114 -0.493 . . . . 10.0 111.8 -179.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 47.0 mt -61.02 -50.66 72.44 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.689 -0.232 . . . . 10.0 111.605 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 9.0 p -65.87 -34.81 79.0 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.472 -0.331 . . . . 10.0 110.936 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -64.03 -43.07 96.71 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.517 -0.31 . . . . 10.0 110.626 178.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 68.5 mt -59.05 -44.05 91.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.962 -0.563 . . . . 10.0 109.675 178.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -66.17 -38.31 87.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.628 -0.714 . . . . 10.0 110.285 179.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -59.69 -42.67 93.49 Favored 'General case' 0 CA--C 1.521 -0.172 0 CA-C-N 116.181 -0.463 . . . . 10.0 111.678 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -64.51 -48.88 73.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.964 -0.562 . . . . 10.0 111.079 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -68.24 -24.55 64.92 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.114 0.483 . . . . 10.0 110.987 179.36 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -71.04 -28.96 64.76 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 115.84 -0.618 . . . . 10.0 111.539 -179.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 2.0 mptt -111.9 -20.02 12.17 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 113.142 0.793 . . . . 10.0 113.142 -179.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 95.4 mt -100.53 8.89 43.21 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 120.74 0.305 . . . . 10.0 111.323 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 63.7 t30 . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.315 -0.402 . . . . 10.0 110.432 179.573 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 2.4 mm? . . . . . 0 CA--C 1.52 -0.179 0 CA-C-O 121.323 0.582 . . . . 10.0 110.051 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -99.65 19.56 15.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.406 -0.816 . . . . 10.0 110.14 179.587 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 71.2 mt -63.72 -30.76 71.82 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.619 -0.719 . . . . 10.0 110.803 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 18.1 mt -64.68 -41.93 95.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.339 0.59 . . . . 10.0 110.199 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -74.46 -35.0 63.29 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.018 -0.537 . . . . 10.0 109.934 178.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -64.54 -38.86 92.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.176 179.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 1.1 m95 -70.23 -29.45 66.27 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.522 -0.763 . . . . 10.0 110.642 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -61.28 -44.7 96.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.136 -0.483 . . . . 10.0 110.144 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.46 -39.12 93.61 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.275 179.466 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 44.5 t -69.9 -41.01 79.48 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.096 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 37.0 m -63.88 -36.01 82.54 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.321 0.582 . . . . 10.0 109.876 178.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 67.2 m -66.04 -41.84 90.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.762 -0.653 . . . . 10.0 110.652 178.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -68.56 -34.77 76.4 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 110.085 -0.339 . . . . 10.0 110.085 179.41 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -63.79 -40.57 96.97 Favored 'General case' 0 N--CA 1.46 0.069 0 N-CA-C 109.088 -0.708 . . . . 10.0 109.088 177.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 19.5 m -67.14 -38.98 86.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.219 -0.901 . . . . 10.0 109.083 178.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 41.0 mmtt -65.08 -28.29 69.36 Favored 'General case' 0 CA--C 1.522 -0.131 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.361 178.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 82.1 mt -67.83 -37.55 82.07 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.115 -0.698 . . . . 10.0 109.115 178.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 60.2 mtt180 -69.84 -36.37 75.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.704 -0.68 . . . . 10.0 109.733 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -61.68 -28.04 69.11 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-N 115.666 -0.697 . . . . 10.0 109.883 178.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -84.51 -51.45 6.89 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.428 -0.806 . . . . 10.0 108.853 177.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 33.8 mt -44.8 -47.81 10.94 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.241 -0.89 . . . . 10.0 112.768 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -51.62 -75.55 0.21 Allowed Glycine 0 CA--C 1.523 0.557 0 C-N-CA 121.186 -0.531 . . . . 10.0 112.934 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -57.39 -41.83 68.38 Favored 'Trans proline' 0 C--O 1.234 0.294 0 C-N-CA 122.872 2.381 . . . . 10.0 112.52 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 37.5 t -58.32 -49.9 80.37 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.198 0 N-CA-C 112.221 0.452 . . . . 10.0 112.221 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 46.7 p -66.59 -33.99 76.9 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.773 -0.371 . . . . 10.0 110.739 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -61.28 -52.29 65.33 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.98 -0.378 . . . . 10.0 109.98 179.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -73.43 -25.53 60.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.772 179.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -70.21 -38.72 75.34 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 108.981 -0.748 . . . . 10.0 108.981 178.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 2.4 m95 -64.78 -44.02 91.35 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 108.7 -0.852 . . . . 10.0 108.7 178.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -63.38 -37.34 86.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.274 -0.875 . . . . 10.0 109.288 178.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -66.35 -44.44 83.23 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.111 -0.7 . . . . 10.0 109.111 177.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 85.0 mt -61.08 -36.42 79.6 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 115.763 -0.653 . . . . 10.0 110.188 179.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -63.16 -39.34 94.37 Favored 'General case' 0 CA--C 1.522 -0.124 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.069 178.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 50.4 mttp -66.64 -43.31 84.99 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 109.201 -0.666 . . . . 10.0 109.201 178.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -61.77 -52.01 65.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.689 -0.687 . . . . 10.0 111.176 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 2.6 p -59.68 -47.54 85.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.384 -0.371 . . . . 10.0 111.322 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -62.85 -41.19 99.26 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 116.491 -0.322 . . . . 10.0 110.253 179.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -63.99 -43.25 97.67 Favored Glycine 0 N--CA 1.449 -0.486 0 N-CA-C 110.848 -0.901 . . . . 10.0 110.848 178.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 85.9 mt -64.89 -34.93 79.57 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.426 -0.583 . . . . 10.0 109.426 178.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 56.5 mtt180 -66.97 -36.15 81.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.748 -0.66 . . . . 10.0 109.632 178.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -60.03 -41.21 91.75 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 109.101 -0.703 . . . . 10.0 109.101 178.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -70.91 -49.45 45.65 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.647 -0.706 . . . . 10.0 109.339 178.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 8.1 mmt -57.27 -37.81 72.95 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 112.794 0.664 . . . . 10.0 112.794 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 44.7 m -58.5 -40.38 82.66 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.247 0.546 . . . . 10.0 110.316 179.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp -85.93 -42.91 13.65 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.437 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -60.05 -56.05 26.44 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.878 -0.601 . . . . 10.0 112.564 -179.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 96.1 mt -65.2 -44.8 87.21 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 113.061 0.764 . . . . 10.0 113.061 -178.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 446' ' ' GLU . . . . . 0.41 ' CD ' ' HZ1' ' D' ' 449' ' ' LYS . 5.3 mm-40 -67.63 -45.7 74.61 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.784 -0.366 . . . . 10.0 111.258 -179.627 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 447' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -70.4 -29.31 65.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.557 -0.292 . . . . 10.0 110.706 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -66.63 -27.41 40.03 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.355 0 N-CA-C 109.844 -0.428 . . . . 10.0 109.844 178.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 449' ' ' LYS . . . . . 0.41 ' HZ1' ' CD ' ' D' ' 446' ' ' GLU . 85.9 mttt -71.68 -29.37 64.52 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 108.789 -0.819 . . . . 10.0 108.789 178.04 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -96.72 15.71 21.12 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.211 -0.904 . . . . 10.0 109.655 179.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 45.0 mttm -125.71 -49.09 1.64 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.354 -0.839 . . . . 10.0 109.776 178.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 39.2 t -62.01 -43.75 98.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.586 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -60.74 -57.44 26.49 Favored Pre-proline 0 CA--C 1.533 0.309 0 N-CA-C 112.743 0.646 . . . . 10.0 112.743 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_endo -61.15 -35.86 83.9 Favored 'Trans proline' 0 C--N 1.352 0.753 0 C-N-CA 121.675 1.584 . . . . 10.0 111.456 178.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -68.54 -34.25 75.52 Favored 'General case' 0 C--O 1.232 0.158 0 N-CA-C 109.64 -0.504 . . . . 10.0 109.64 178.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 13.6 mt -69.65 -36.8 76.39 Favored 'General case' 0 C--O 1.219 -0.552 0 N-CA-C 108.851 -0.796 . . . . 10.0 108.851 178.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -65.04 -43.36 92.59 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 108.861 -0.792 . . . . 10.0 108.861 178.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 458' ' ' ASP . . . . . 0.531 ' CG ' ' HZ2' ' D' ' 462' ' ' LYS . 16.3 t70 -60.97 -42.52 98.49 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 115.221 -0.9 . . . . 10.0 109.164 178.328 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -68.98 -41.41 77.91 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.046 -0.979 . . . . 10.0 110.598 178.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -58.96 -43.98 91.4 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 109.923 -0.399 . . . . 10.0 109.923 179.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 74.4 mttt -61.8 -43.65 98.43 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.427 -0.583 . . . . 10.0 109.427 178.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 462' ' ' LYS . . . . . 0.531 ' HZ2' ' CG ' ' D' ' 458' ' ' ASP . 2.8 mtmm -66.77 -39.56 87.88 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.169 179.075 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 21.0 m0 -63.83 -39.26 93.81 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.569 -0.53 . . . . 10.0 109.569 178.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -65.34 -46.27 80.9 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 109.273 -0.64 . . . . 10.0 109.273 178.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 465' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -57.43 -48.35 79.37 Favored 'General case' 0 C--O 1.223 -0.334 0 N-CA-C 108.805 -0.813 . . . . 10.0 108.805 178.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -60.36 -52.35 65.61 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.736 -0.665 . . . . 10.0 111.07 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 72.6 mtm -60.2 -38.65 83.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 10.0 111.695 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -74.89 -36.82 62.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.451 -0.34 . . . . 10.0 110.61 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 469' ' ' LEU . . . . . . . . . . . . . 34.4 mt -61.3 -42.26 98.36 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.104 -0.702 . . . . 10.0 109.104 178.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 22.9 m-30 -64.73 -23.85 67.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.955 -0.566 . . . . 10.0 111.049 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 48.8 mtt85 -77.28 -25.15 51.08 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.291 0.567 . . . . 10.0 109.6 178.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -106.7 7.26 30.39 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.885 -0.598 . . . . 10.0 110.822 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 473' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -127.72 -72.48 0.63 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.057 -0.519 . . . . 10.0 110.311 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 11.3 t -62.88 -44.87 99.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.833 -0.621 . . . . 10.0 112.441 -178.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -56.91 -55.2 46.27 Favored Pre-proline 0 N--CA 1.47 0.528 0 N-CA-C 112.551 0.574 . . . . 10.0 112.551 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -66.34 -36.44 27.59 Favored 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 121.481 1.454 . . . . 10.0 111.225 177.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 8.8 mt -66.11 -23.95 66.59 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 116.292 -0.413 . . . . 10.0 110.654 179.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 14.5 mtt-85 -62.41 -32.96 73.87 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.14 -0.689 . . . . 10.0 109.14 178.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -72.71 -38.11 67.59 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 108.717 -0.846 . . . . 10.0 108.717 178.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.79 -43.65 88.13 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.128 -0.693 . . . . 10.0 109.128 178.071 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 72.8 mt -64.48 -38.81 92.32 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 115.362 -0.835 . . . . 10.0 109.54 178.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -70.84 -41.34 71.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.574 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -64.72 -43.96 91.75 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.485 -0.561 . . . . 10.0 109.485 178.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -65.31 -33.95 88.1 Favored Glycine 0 N--CA 1.451 -0.343 0 N-CA-C 110.409 -1.077 . . . . 10.0 110.409 178.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -70.6 -42.7 70.62 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.621 -0.511 . . . . 10.0 109.621 178.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -60.54 -41.65 94.91 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 108.553 -0.906 . . . . 10.0 108.553 178.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.47 -47.84 74.73 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.338 -0.846 . . . . 10.0 109.309 178.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -59.97 -43.18 95.24 Favored 'General case' 0 C--O 1.226 -0.16 0 CA-C-N 116.361 -0.381 . . . . 10.0 110.493 179.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 61.3 mt -63.12 -39.17 93.89 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.312 -0.625 . . . . 10.0 109.312 178.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 32.0 t60 -64.22 -46.42 83.95 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 108.787 -0.82 . . . . 10.0 108.787 178.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -61.43 -41.74 97.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.34 -0.845 . . . . 10.0 109.739 178.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 30.8 mt -66.37 -48.18 70.98 Favored 'General case' 0 C--O 1.216 -0.699 0 CA-C-N 115.434 -0.803 . . . . 10.0 111.1 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -59.6 -35.72 74.87 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.915 0.388 . . . . 10.0 110.975 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -72.4 3.76 4.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.733 -0.667 . . . . 10.0 110.988 179.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 495' ' ' LYS . . . . . . . . . . . . . 49.8 mttp -126.87 -45.59 1.59 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.857 -0.611 . . . . 10.0 109.734 178.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 98.9 mt -56.13 -35.14 66.77 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 116.171 -0.468 . . . . 10.0 112.176 -179.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 497' ' ' SER . . . . . . . . . . . . . 3.2 m -79.22 -62.84 0.42 Allowed Pre-proline 0 C--N 1.324 -0.519 0 CA-C-O 119.371 -0.347 . . . . 10.0 111.915 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 498' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -60.43 -49.53 8.86 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 122.245 1.964 . . . . 10.0 112.556 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 499' ' ' LEU . . . . . . . . . . . . . 96.8 mt -71.84 -26.14 62.25 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-O 120.743 0.306 . . . . 10.0 110.213 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -65.04 -51.29 52.26 Favored Glycine 0 N--CA 1.446 -0.684 0 N-CA-C 110.017 -1.233 . . . . 10.0 110.017 178.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -66.13 -34.13 77.35 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 109.464 -0.569 . . . . 10.0 109.464 178.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 502' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -64.6 -49.33 71.55 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.721 -0.672 . . . . 10.0 109.581 178.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 52.9 mmm -62.22 -39.01 91.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.008 -0.542 . . . . 10.0 109.828 179.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 67.8 mtt180 -66.94 -39.65 87.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.685 179.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -68.91 -41.01 78.8 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 110.035 -0.357 . . . . 10.0 110.035 178.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 506' ' ' ARG . . . . . . . . . . . . . 12.3 mtm180 -64.82 -34.37 78.2 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.03 -0.73 . . . . 10.0 109.03 178.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -66.38 -38.97 88.75 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 108.707 -0.849 . . . . 10.0 108.707 177.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 508' ' ' ARG . . . . . . . . . . . . . 75.7 mtt180 -60.26 -45.4 93.39 Favored 'General case' 0 C--O 1.224 -0.281 0 N-CA-C 108.536 -0.913 . . . . 10.0 108.536 178.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -60.25 -33.64 72.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.46 -0.791 . . . . 10.0 111.066 179.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -77.49 -48.35 17.3 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.051 0.453 . . . . 10.0 110.71 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 91.0 t -63.73 -45.26 97.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.68 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -64.08 -32.97 74.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.002 0.43 . . . . 10.0 110.235 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -68.45 -45.13 73.34 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 108.519 -0.919 . . . . 10.0 108.519 177.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 514' ' ' LEU . . . . . . . . . . . . . 86.9 mt -60.55 -27.19 67.47 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.787 -0.642 . . . . 10.0 110.952 179.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 515' ' ' ARG . . . . . . . . . . . . . 84.4 mtt180 -65.3 -28.81 69.58 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.404 0.621 . . . . 10.0 109.546 178.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.6 12.97 24.08 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.668 -0.696 . . . . 10.0 109.578 179.095 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 16.3 m170 -119.58 -67.02 1.01 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.697 -0.683 . . . . 10.0 111.042 -179.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 67.3 mt -73.85 -45.43 51.16 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.789 -0.642 . . . . 10.0 112.144 -178.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 519' ' ' ALA . . . . . . . . . . . . . . . -54.12 -56.07 29.93 Favored Pre-proline 0 CA--C 1.537 0.476 0 N-CA-C 112.6 0.592 . . . . 10.0 112.6 -179.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 520' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -64.84 -37.95 32.44 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.032 1.821 . . . . 10.0 111.581 178.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -64.77 -40.2 94.87 Favored 'General case' 0 C--O 1.225 -0.209 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.982 -179.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 1.8 p -65.74 -31.67 72.8 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.535 -0.466 . . . . 10.0 109.766 179.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.08 -43.3 74.83 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.078 -0.712 . . . . 10.0 109.078 178.483 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -67.64 -36.05 80.04 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 109.084 -0.71 . . . . 10.0 109.084 178.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 8.0 mt -61.62 -41.43 97.46 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-N 115.537 -0.756 . . . . 10.0 109.348 178.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 526' ' ' ARG . . . . . . . . . . . . . 56.3 mtt180 -61.91 -37.44 84.63 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 115.926 -0.579 . . . . 10.0 109.99 178.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -62.28 -35.57 79.41 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.191 0.52 . . . . 10.0 109.687 178.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 528' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -78.33 -43.27 28.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.642 -0.708 . . . . 10.0 109.265 178.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 75.0 mt -60.81 -38.5 85.6 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.491 -0.777 . . . . 10.0 111.089 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -61.3 -36.23 79.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.976 0.417 . . . . 10.0 110.232 178.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -74.81 -42.68 57.61 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.603 -0.726 . . . . 10.0 109.203 178.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -61.04 -45.57 94.23 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-N 115.709 -0.678 . . . . 10.0 109.174 178.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 84.9 mt -65.3 -36.06 82.93 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 115.812 -0.631 . . . . 10.0 110.213 178.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -64.85 -40.77 95.69 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 108.926 -0.768 . . . . 10.0 108.926 178.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -63.84 -38.36 90.79 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.776 -0.824 . . . . 10.0 108.776 177.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 81.0 mt -71.21 -21.72 62.1 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.501 -0.772 . . . . 10.0 110.869 179.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 45.0 mtmt -82.01 -45.76 14.88 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.937 -0.764 . . . . 10.0 108.937 178.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -64.16 -45.66 87.44 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.591 -0.731 . . . . 10.0 109.096 178.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -71.83 -33.22 68.31 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-N 115.345 -0.843 . . . . 10.0 109.291 178.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -64.19 -51.52 52.11 Favored Glycine 0 N--CA 1.446 -0.679 0 N-CA-C 111.045 -0.822 . . . . 10.0 111.045 179.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -59.29 -41.6 96.92 Favored Glycine 0 N--CA 1.452 -0.292 0 N-CA-C 111.254 -0.738 . . . . 10.0 111.254 179.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -66.24 -52.0 52.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.548 0.213 . . . . 10.0 110.623 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 55.8 mtt180 -60.84 -33.17 72.64 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.432 -0.349 . . . . 10.0 111.332 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 20.9 mt -66.09 -44.04 85.55 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.197 -0.668 . . . . 10.0 109.197 177.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -63.27 -39.7 95.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.768 -0.651 . . . . 10.0 109.419 178.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 -65.85 -43.1 89.46 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 115.667 -0.697 . . . . 10.0 109.292 178.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -63.01 -36.35 83.25 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.821 -0.627 . . . . 10.0 110.447 179.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 26.3 m-70 -69.35 -43.34 73.84 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.573 -0.528 . . . . 10.0 109.573 178.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -63.6 -46.88 83.77 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.902 -0.59 . . . . 10.0 109.695 178.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -35.74 81.23 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.462 -0.79 . . . . 10.0 109.818 179.063 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -59.68 -46.71 88.25 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 109.622 -0.51 . . . . 10.0 109.622 178.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.5 -45.99 77.74 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 116.253 -0.43 . . . . 10.0 110.399 178.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -58.63 -49.99 75.48 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 116.399 -0.364 . . . . 10.0 110.574 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 23.5 t60 -63.29 -38.33 90.73 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.868 -0.606 . . . . 10.0 109.798 179.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 25.6 tp -63.34 -43.92 96.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 10.0 111.002 179.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.15 -41.68 97.19 Favored 'General case' 0 C--N 1.333 -0.119 0 C-N-CA 121.107 -0.237 . . . . 10.0 110.97 179.316 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -72.44 -30.07 64.26 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 120.767 0.318 . . . . 10.0 110.313 179.263 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 19.4 mt -62.36 -48.41 79.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.453 . . . . 10.0 110.06 178.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.03 -35.1 74.07 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 109.335 -0.617 . . . . 10.0 109.335 178.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -64.11 -27.51 69.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.32 -0.855 . . . . 10.0 109.922 179.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.49 18.57 20.22 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.334 179.193 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -119.96 -46.44 2.43 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 115.862 -0.608 . . . . 10.0 110.693 179.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -58.69 -62.99 4.62 Favored Pre-proline 0 C--N 1.331 -0.212 0 N-CA-C 111.853 0.316 . . . . 10.0 111.853 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -67.71 -29.46 35.85 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 121.52 1.48 . . . . 10.0 111.316 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -66.77 -56.0 12.47 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.357 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 75.1 mt -60.25 -39.7 87.69 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-O 120.755 0.312 . . . . 10.0 110.219 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -60.69 -55.62 31.08 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.145 -0.479 . . . . 10.0 110.458 178.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -62.18 -42.71 99.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.401 -0.363 . . . . 10.0 110.987 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 76.1 mt -58.7 -45.57 89.22 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.576 -0.283 . . . . 10.0 110.793 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 64.0 mtt180 -69.54 -39.25 77.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.422 -0.353 . . . . 10.0 110.29 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -63.47 -22.78 67.08 Favored 'General case' 0 CA--C 1.521 -0.152 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.023 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -95.94 -30.76 7.72 Favored Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 110.849 -0.9 . . . . 10.0 110.849 178.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 14.2 mt -67.68 -47.28 69.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.59 -0.305 . . . . 10.0 111.277 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 91.1 mt -50.31 -59.44 7.14 Favored Pre-proline 0 CA--C 1.537 0.463 0 N-CA-C 112.987 0.736 . . . . 10.0 112.987 -179.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -66.4 -37.01 24.88 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 121.794 1.663 . . . . 10.0 112.175 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.61 -36.43 77.59 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 CA-C-O 120.76 0.314 . . . . 10.0 110.743 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 61.2 mt -65.16 -42.34 93.85 Favored 'General case' 0 CA--C 1.517 -0.295 0 N-CA-C 109.102 -0.703 . . . . 10.0 109.102 178.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -66.25 -38.44 87.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.736 -0.666 . . . . 10.0 109.731 179.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 20.1 m -66.09 -44.65 83.78 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.341 -0.615 . . . . 10.0 109.341 178.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -62.79 -32.72 73.94 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 115.898 -0.592 . . . . 10.0 109.682 178.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -61.13 -48.19 82.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.005 178.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 40.8 t -59.44 -45.35 93.7 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.354 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 4.7 m -65.88 -40.19 91.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.507 179.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.61 -48.75 71.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.043 179.491 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 97.4 mt -56.59 -52.24 65.57 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.624 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 12.2 p -64.16 -33.36 75.6 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 116.377 -0.374 . . . . 10.0 111.065 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -66.52 -58.79 4.49 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.158 -0.312 . . . . 10.0 110.158 179.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 63.3 mt -58.79 -42.81 89.93 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.016 -0.538 . . . . 10.0 111.667 -178.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -63.06 -46.92 85.22 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.438 -0.347 . . . . 10.0 110.865 -179.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -69.25 -33.45 73.28 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.855 -0.338 . . . . 10.0 111.708 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 16.0 m-30 -64.8 -38.12 89.91 Favored 'General case' 0 N--CA 1.462 0.173 0 N-CA-C 109.559 -0.534 . . . . 10.0 109.559 178.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 35.7 m -59.84 -36.05 76.02 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.369 179.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -66.09 -31.32 72.12 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.957 0.408 . . . . 10.0 110.969 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -82.39 -38.71 23.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.967 -0.56 . . . . 10.0 110.51 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 90.8 mt -74.26 -20.02 60.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.811 -0.631 . . . . 10.0 111.629 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 . . . . . 0 C--N 1.325 -0.499 0 CA-C-N 116.12 -0.491 . . . . 10.0 111.173 179.873 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.451 -0.383 0 CA-C-O 120.902 0.382 . . . . 10.0 110.735 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 6.9 m -98.8 141.11 32.01 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.077 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -95.33 140.92 29.52 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.48 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -129.05 114.33 16.26 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.057 -0.52 . . . . 10.0 109.861 179.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 40.7 mttm -81.96 112.72 19.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.047 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 24.6 mt -119.65 111.75 18.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.69 -179.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 22.3 t -95.79 130.86 43.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.849 -0.614 . . . . 10.0 110.495 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 9.9 t -93.04 111.09 24.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.014 -0.539 . . . . 10.0 109.629 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 19.7 m -111.69 158.32 12.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.191 -0.459 . . . . 10.0 111.503 -179.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 142.85 166.66 11.16 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 121.027 -0.606 . . . . 10.0 111.681 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.29 170.31 3.05 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.997 0.427 . . . . 10.0 110.929 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.55 140.88 29.47 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.101 0.476 . . . . 10.0 111.493 -179.499 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.59 8.5 67.75 Favored Glycine 0 N--CA 1.452 -0.27 0 CA-C-N 115.773 -0.648 . . . . 10.0 113.675 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 32.7 m -87.62 -18.29 8.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 112.655 0.613 . . . . 10.0 112.655 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 110.1 22.29 6.61 Favored Glycine 0 CA--C 1.518 0.271 0 C-N-CA 120.457 -0.877 . . . . 10.0 113.527 179.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 15.2 mtmm -62.16 -42.27 99.11 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.116 0.484 . . . . 10.0 110.764 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' SER . . . . . 0.502 ' OG ' ' O3G' ' B' ' 201' ' ' GSP . 20.8 m -79.45 -34.43 41.54 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.997 -179.261 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.71 -49.79 74.11 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.686 -0.487 . . . . 10.0 109.686 178.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 13.9 mt -60.02 -44.59 94.5 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.092 -0.504 . . . . 10.0 111.262 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 18.5 m -62.96 -45.46 92.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 10.0 111.574 -179.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 88.5 mt -68.13 -34.38 66.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.504 -0.317 . . . . 10.0 111.11 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -69.83 -19.27 63.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.883 0.373 . . . . 10.0 110.299 178.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 20.5 tp -90.21 -36.89 14.5 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.04 -0.527 . . . . 10.0 111.515 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 34.6 mm -87.35 -60.04 2.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.97 0.414 . . . . 10.0 111.851 -179.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -89.53 -20.31 23.96 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.377 -0.374 . . . . 10.0 111.527 -179.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 69.06 38.39 1.98 Allowed 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 113.155 0.798 . . . . 10.0 113.155 178.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -142.81 153.19 42.99 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.747 -0.381 . . . . 10.0 111.593 179.015 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -87.0 137.66 32.16 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.882 0.372 . . . . 10.0 111.274 -179.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -110.58 103.69 15.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.822 -0.626 . . . . 10.0 110.929 179.258 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -69.75 -25.43 63.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.81 -0.632 . . . . 10.0 109.698 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -78.35 129.23 34.74 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.032 -0.986 . . . . 10.0 110.7 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -85.22 127.79 34.43 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.493 -0.321 . . . . 10.0 110.169 179.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -122.41 108.9 33.33 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.274 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -68.83 82.81 0.56 Allowed 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 123.212 2.608 . . . . 10.0 111.372 179.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' THR . . . . . 0.464 ' OG1' ' O3G' ' B' ' 201' ' ' GSP . 0.1 OUTLIER -88.72 119.0 28.8 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.6 -0.727 . . . . 10.0 110.776 -179.842 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 25.5 mm -73.09 -45.01 55.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.339 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -163.84 102.9 0.9 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.367 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -126.88 132.48 50.92 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.494 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.7 p -106.95 148.61 28.44 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.677 0.621 . . . . 10.0 112.677 -178.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -133.26 139.6 47.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.704 -0.68 . . . . 10.0 109.877 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -120.92 132.5 54.99 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.609 0.243 . . . . 10.0 110.875 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 73.0 tttt -154.21 137.97 16.16 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.244 -0.435 . . . . 10.0 110.347 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -112.47 118.9 36.43 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.31 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 19.4 m -128.18 176.85 6.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.292 -0.413 . . . . 10.0 111.446 -179.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 84.7 t -105.05 114.11 43.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.255 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 48.0 mt -123.79 125.14 70.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.551 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 64.37 17.15 10.61 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.514 -0.766 . . . . 10.0 111.687 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.93 -0.63 62.68 Favored Glycine 0 C--N 1.334 0.439 0 C-N-CA 121.028 -0.606 . . . . 10.0 112.292 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -117.37 136.16 53.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 122.739 -0.271 . . . . 10.0 110.727 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.08 125.29 26.9 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.339 -0.986 . . . . 10.0 108.339 178.697 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 7.6 m -123.84 134.49 53.58 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.929 0.395 . . . . 10.0 111.793 -178.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 39.4 tp -93.21 109.81 21.32 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.508 -0.923 . . . . 10.0 108.508 178.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 35.3 mt -91.72 123.46 35.13 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 112.666 0.617 . . . . 10.0 112.666 -178.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -107.02 86.2 2.27 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.284 -1.006 . . . . 10.0 108.284 178.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 9.3 mt -84.9 143.37 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.665 -0.698 . . . . 10.0 111.727 -177.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 46.2 tp -136.5 111.65 9.02 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.354 -0.385 . . . . 10.0 111.333 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . 0.47 ' OD2' ' O3G' ' B' ' 201' ' ' GSP . 9.8 t70 -92.55 114.25 26.75 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.83 -0.804 . . . . 10.0 108.83 179.347 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 3.4 p -114.8 151.62 33.51 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.84 0.352 . . . . 10.0 111.923 -178.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.95 132.34 45.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.143 0.497 . . . . 10.0 111.382 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -105.56 36.28 4.5 Favored Glycine 0 N--CA 1.447 -0.58 0 N-CA-C 110.932 -0.867 . . . . 10.0 110.932 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -89.44 8.22 31.97 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.696 0.284 . . . . 10.0 110.94 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 69.19 -169.12 0.18 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.765 -0.652 . . . . 10.0 112.412 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 78.43 -23.89 0.23 Allowed 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 123.435 0.694 . . . . 10.0 111.722 -179.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -84.04 47.13 1.27 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.533 -0.303 . . . . 10.0 111.007 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -57.88 -45.71 85.95 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.45 -0.341 . . . . 10.0 111.804 -179.333 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.59 -34.95 19.72 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.247 0.546 . . . . 10.0 111.416 -179.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 19.7 ttt -64.26 -37.43 87.46 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.793 -0.64 . . . . 10.0 111.437 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 12.0 ttp180 -59.09 -40.23 84.61 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.025 -0.534 . . . . 10.0 112.398 -179.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -55.76 -40.69 72.93 Favored 'General case' 0 C--O 1.225 -0.218 0 N-CA-C 112.544 0.572 . . . . 10.0 112.544 -178.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -58.66 -57.08 14.57 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.501 0.926 . . . . 10.0 113.501 -177.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 25.3 p90 -72.32 -24.11 61.26 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.296 -0.561 . . . . 10.0 112.25 -179.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 29.5 mtt -70.97 -36.21 72.45 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.234 0.54 . . . . 10.0 110.146 178.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 45.2 ttm105 -70.61 -39.8 73.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.813 -0.63 . . . . 10.0 110.349 179.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 4.4 m -73.99 -27.48 60.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.77 -0.65 . . . . 10.0 111.708 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -75.94 158.98 50.34 Favored Glycine 0 CA--C 1.52 0.361 0 C-N-CA 120.888 -0.672 . . . . 10.0 113.597 -179.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -114.71 -54.48 2.57 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.296 -0.631 . . . . 10.0 109.296 179.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -106.73 139.75 14.99 Favored Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 110.174 -1.17 . . . . 10.0 110.174 178.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -116.57 130.1 56.55 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.246 0.546 . . . . 10.0 112.389 -178.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 13.2 tp -98.86 91.23 4.97 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.424 -0.807 . . . . 10.0 109.572 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 35.1 m -84.01 95.76 8.66 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.097 0.475 . . . . 10.0 110.412 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 25.4 t -98.77 131.87 45.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.465 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 33.7 p90 -133.1 160.37 37.38 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.146 -0.479 . . . . 10.0 109.815 178.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -101.86 126.57 48.77 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.67 -0.493 . . . . 10.0 109.67 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 33.2 pt -65.38 -11.04 11.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 112.333 0.494 . . . . 10.0 112.333 -179.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -103.82 -5.08 22.75 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.765 0.317 . . . . 10.0 111.01 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -120.2 105.71 11.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.602 -179.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 27.5 m -61.13 -38.5 86.6 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.47 0.545 . . . . 10.0 112.47 -179.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -56.68 -44.54 81.52 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.062 0.393 . . . . 10.0 112.062 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 93.3 p -64.51 -29.88 70.91 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.694 0.283 . . . . 10.0 111.426 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -76.04 -34.4 59.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.05 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -71.91 -40.76 68.58 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.978 -0.555 . . . . 10.0 110.624 179.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.14 -21.55 59.52 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.48 -0.782 . . . . 10.0 112.617 -179.129 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 49.5 mm -54.79 -50.71 58.74 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-O 120.777 0.322 . . . . 10.0 111.284 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -63.85 -35.4 80.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 10.0 110.794 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 38.2 m-70 -63.36 -41.5 98.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.484 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -68.67 -45.48 71.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.132 -0.486 . . . . 10.0 110.897 179.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -54.14 -44.1 71.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.008 -0.542 . . . . 10.0 111.408 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -67.45 -36.75 81.8 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.358 -0.383 . . . . 10.0 111.951 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -69.84 -48.64 58.14 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 110.267 -0.272 . . . . 10.0 110.267 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 83.9 mt -54.03 -49.54 60.01 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 O-C-N 123.547 0.529 . . . . 10.0 111.18 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 26.5 mtmt -64.59 -23.72 67.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.665 -0.698 . . . . 10.0 111.945 -179.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 9.2 tmm_? -81.6 -41.58 21.32 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.306 -0.406 . . . . 10.0 111.374 -179.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 25.8 t -63.34 -53.4 46.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.27 -0.423 . . . . 10.0 111.93 -179.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -83.46 -8.66 59.33 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.497 -0.319 . . . . 10.0 111.843 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 38.7 t70 54.02 70.44 0.6 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.915 -0.584 . . . . 10.0 111.657 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 17.6 t -166.08 153.15 9.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.639 -0.71 . . . . 10.0 109.558 179.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 22.3 tp10 -100.52 -5.53 26.78 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.262 0.553 . . . . 10.0 109.646 179.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -112.73 95.04 5.2 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.803 -0.635 . . . . 10.0 111.23 -179.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 23.3 t -128.29 126.84 23.7 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 109.398 -0.593 . . . . 10.0 109.398 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -64.39 109.24 1.15 Allowed 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 123.117 2.545 . . . . 10.0 111.722 179.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 52.3 mtm -141.7 159.96 41.15 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.066 -0.515 . . . . 10.0 111.111 -179.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 98.8 t -138.86 147.84 24.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 108.662 -0.866 . . . . 10.0 108.662 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 17.0 tp -94.9 113.93 25.71 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.533 -0.543 . . . . 10.0 109.533 179.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 37.6 t -105.83 110.09 30.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.326 0.584 . . . . 10.0 112.569 -178.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -101.27 103.98 2.65 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 109.984 -1.247 . . . . 10.0 109.984 178.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -96.78 170.26 9.3 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.927 0.363 . . . . 10.0 111.624 -178.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 96.0 mttt 67.88 27.99 7.12 Favored 'General case' 0 N--CA 1.463 0.188 0 O-C-N 123.645 0.59 . . . . 10.0 111.554 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 86.0 m -71.79 -9.89 58.96 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 112.611 0.597 . . . . 10.0 112.611 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -90.35 -3.2 57.89 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.79 0.329 . . . . 10.0 110.563 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 64.8 mt -89.18 142.2 29.81 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 10.0 111.079 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -72.52 163.89 37.22 Favored 'Trans proline' 0 C--O 1.237 0.446 0 C-N-CA 122.544 2.163 . . . . 10.0 112.17 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 51.7 m 55.77 78.66 0.19 Allowed 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 115.598 -0.728 . . . . 10.0 111.667 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -92.6 134.29 35.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.519 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -85.76 -41.22 15.28 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.212 179.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 62.0 t -92.25 126.06 44.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.148 0.499 . . . . 10.0 109.97 178.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -89.57 145.56 25.19 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.539 -0.755 . . . . 10.0 110.498 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 5.3 m -59.05 -34.22 71.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.054 0.454 . . . . 10.0 110.962 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 7.2 mtpt -61.78 -57.7 10.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.474 -0.785 . . . . 10.0 110.982 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -62.02 -34.88 77.02 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.934 -0.306 . . . . 10.0 111.71 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.2 -46.97 72.28 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.097 0.475 . . . . 10.0 110.709 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.34 -36.11 78.76 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.088 -0.506 . . . . 10.0 111.155 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -67.51 -33.82 75.86 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.072 0.463 . . . . 10.0 109.853 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 26.9 tp -72.04 -42.66 66.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.813 -0.631 . . . . 10.0 109.362 178.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.87 -31.34 72.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.956 -0.565 . . . . 10.0 109.868 178.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -63.55 -36.21 83.04 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.69 -0.687 . . . . 10.0 110.101 178.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.2 -39.95 86.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.585 -0.734 . . . . 10.0 110.605 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -76.37 -32.76 58.78 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.392 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 91.99 31.66 9.05 Favored Glycine 0 N--CA 1.447 -0.578 0 N-CA-C 110.712 -0.955 . . . . 10.0 110.712 -179.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 46.5 pt -120.82 159.08 50.28 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.14 -0.53 . . . . 10.0 110.494 -178.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -82.46 158.31 16.92 Favored 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 122.95 2.433 . . . . 10.0 111.852 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -137.15 129.59 29.86 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.196 -0.456 . . . . 10.0 110.716 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 3.3 mp -131.96 129.98 60.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.369 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -73.78 114.07 11.64 Favored 'General case' 0 C--N 1.333 -0.131 0 N-CA-C 108.485 -0.931 . . . . 10.0 108.485 178.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 6.3 p -111.13 155.4 22.91 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 114.053 1.131 . . . . 10.0 114.053 -177.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 16.2 t -149.04 98.56 2.85 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 106.993 -1.484 . . . . 10.0 106.993 177.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -59.54 -35.18 73.72 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.015 0.436 . . . . 10.0 111.589 -179.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -58.28 -43.29 87.94 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.668 -0.696 . . . . 10.0 111.391 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.83 5.44 43.45 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.358 -0.383 . . . . 10.0 112.032 -178.537 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 57.29 29.57 17.01 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 121.74 0.781 . . . . 10.0 110.316 -179.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -89.04 120.69 30.67 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.406 -0.815 . . . . 10.0 111.348 -178.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 76.03 -9.56 18.16 Favored Glycine 0 C--N 1.332 0.341 0 CA-C-N 115.545 -0.752 . . . . 10.0 113.549 178.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 97.0 t -55.22 -41.22 59.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 112.123 0.416 . . . . 10.0 112.123 -179.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -71.43 -57.45 4.42 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 112.029 0.381 . . . . 10.0 112.029 -179.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -56.92 -42.07 79.32 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.619 0.6 . . . . 10.0 112.619 -178.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -57.5 -53.62 56.09 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 120.922 0.391 . . . . 10.0 112.008 -179.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -66.08 -38.87 89.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.431 -0.35 . . . . 10.0 111.059 -179.479 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -61.3 -48.8 79.73 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.975 -0.557 . . . . 10.0 111.479 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 25.4 m -61.28 -35.35 77.09 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.055 0.391 . . . . 10.0 112.055 -179.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 56.8 tp -60.02 -44.56 94.53 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.742 0.306 . . . . 10.0 111.284 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 21.7 t -67.89 -36.11 74.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.019 0.437 . . . . 10.0 110.246 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 85.2 mtm-85 -64.42 -32.6 74.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.777 -0.647 . . . . 10.0 111.388 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -61.88 -38.35 87.99 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.959 -0.385 . . . . 10.0 109.959 178.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 73.5 mt -67.89 -45.46 83.97 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.107 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 3.3 mtt85 -64.58 -44.25 91.29 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.709 179.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 8.8 ttmt -60.2 -45.2 93.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.654 -0.703 . . . . 10.0 110.813 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 14.3 t-80 -57.34 -49.08 77.29 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.982 -0.554 . . . . 10.0 111.315 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -67.23 -41.07 86.31 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.183 0.438 . . . . 10.0 112.183 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -64.41 -50.12 68.84 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.068 0.461 . . . . 10.0 111.888 -179.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 41.3 mtpt -76.07 -16.0 60.0 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.889 0.7 . . . . 10.0 112.889 -178.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 6.4 mmm -71.15 -18.53 62.5 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-O 120.922 0.391 . . . . 10.0 111.592 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.98 -11.53 60.81 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.963 0.411 . . . . 10.0 111.273 -179.543 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 22.9 mtpt -120.98 16.67 11.71 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.292 -0.413 . . . . 10.0 110.521 -179.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 173' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -69.06 -51.36 39.62 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.698 0.629 . . . . 10.0 112.698 -178.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . -68.56 -65.77 2.53 Favored Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 120.649 -0.786 . . . . 10.0 111.411 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 175' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.86 133.89 1.59 Allowed 'General case' 0 C--O 1.238 0.458 0 C-N-CA 122.458 0.303 . . . . 10.0 110.277 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 176' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.3 -60.77 0.42 Allowed 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 121.055 -0.258 . . . . 10.0 111.448 179.488 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 177' ' ' LYS . . . . . . . . . . . . . 23.3 tptp -138.4 -53.32 0.61 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.493 -0.321 . . . . 10.0 110.82 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? 64.67 -159.05 0.29 Allowed 'General case' 0 C--O 1.233 0.198 0 O-C-N 123.805 0.691 . . . . 10.0 110.68 -179.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 179' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.92 -130.41 0.3 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.81 0.338 . . . . 10.0 111.779 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 49.1 pttt -136.23 149.58 48.59 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.466 -0.333 . . . . 10.0 110.808 -178.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 19.2 m -90.3 -40.21 12.27 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.478 -0.564 . . . . 10.0 109.478 178.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 30.6 mtmm -133.74 162.61 31.52 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.71 -0.677 . . . . 10.0 110.197 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -92.15 4.94 52.1 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.191 -0.459 . . . . 10.0 111.191 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 184' ' ' LYS . . . . . . . . . . . . . 6.7 ptpt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.22 179.831 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 C--O 1.233 0.209 0 CA-C-O 120.907 0.384 . . . . 10.0 110.517 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 7.3 m -105.82 138.89 41.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.727 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -92.72 127.19 38.13 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.277 -0.638 . . . . 10.0 109.277 179.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -118.38 119.84 35.81 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.643 -0.503 . . . . 10.0 109.643 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -86.86 121.08 28.85 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.742 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -123.93 122.96 39.34 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.413 -0.358 . . . . 10.0 111.332 -178.592 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 48.5 t -110.22 129.66 64.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 110.09 -0.337 . . . . 10.0 110.09 179.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 1.3 t -95.89 107.83 20.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.787 0.327 . . . . 10.0 110.539 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 21.4 m -106.03 146.54 12.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.81 0.338 . . . . 10.0 111.333 -179.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 159.58 173.67 28.35 Favored Glycine 0 N--CA 1.442 -0.905 0 N-CA-C 111.378 -0.689 . . . . 10.0 111.378 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.21 -176.05 5.38 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.201 0.524 . . . . 10.0 111.633 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.9 146.46 26.71 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.239 -0.437 . . . . 10.0 110.577 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 81.68 5.0 90.21 Favored Glycine 0 CA--C 1.521 0.414 0 C-N-CA 121.108 -0.568 . . . . 10.0 113.613 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 27.7 m -77.45 -42.95 30.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 117.261 0.53 . . . . 10.0 112.204 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . 0.524 ' CA ' ' C8 ' ' C' ' 201' ' ' GSP . . . 126.47 11.63 3.66 Favored Glycine 0 C--N 1.333 0.381 0 C-N-CA 120.407 -0.902 . . . . 10.0 114.201 178.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 7.2 mtmt -54.85 -39.98 69.16 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.34 0.496 . . . . 10.0 112.34 -179.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 17' ' ' SER . . . . . 0.467 ' N ' ' O1A' ' C' ' 201' ' ' GSP . 51.1 m -72.64 -48.03 42.75 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 110.151 -0.314 . . . . 10.0 110.151 -179.672 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.24 -44.16 88.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.953 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 45.5 mt -62.93 -39.18 93.81 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.534 179.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 49.3 m -69.32 -47.95 62.92 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.893 -0.594 . . . . 10.0 110.726 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 78.1 mt -61.08 -37.95 78.52 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 CA-C-O 120.886 0.374 . . . . 10.0 110.398 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.77 -40.1 91.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.29 -0.414 . . . . 10.0 110.908 179.325 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 4.3 tp -81.74 -15.14 55.29 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 112.109 0.411 . . . . 10.0 112.109 -179.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 25.8 mm -101.4 -58.03 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 112.372 0.508 . . . . 10.0 112.372 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -97.39 -9.61 27.05 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.404 0.52 . . . . 10.0 112.404 -177.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 67.9 m-20 69.63 44.13 0.92 Allowed 'General case' 0 C--O 1.234 0.285 0 N-CA-C 113.713 1.005 . . . . 10.0 113.713 178.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 9.0 p80 -157.05 148.19 21.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.889 0.376 . . . . 10.0 111.248 178.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -98.34 134.54 41.2 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.79 -0.641 . . . . 10.0 110.032 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 13.4 m -99.72 142.76 14.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.391 -0.368 . . . . 10.0 110.283 179.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -93.07 -24.84 18.17 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.094 0.473 . . . . 10.0 110.907 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -87.85 142.66 27.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.167 -0.47 . . . . 10.0 110.917 179.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -98.81 114.77 27.47 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.975 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -104.0 119.58 53.89 Favored Pre-proline 0 C--N 1.32 -0.708 0 CA-C-N 115.571 -0.74 . . . . 10.0 110.134 178.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -61.34 99.71 0.17 Allowed 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 123.398 2.732 . . . . 10.0 111.391 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.15 126.69 31.07 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.285 -0.87 . . . . 10.0 111.101 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 49.8 mm -93.43 -44.47 13.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 108.559 -0.904 . . . . 10.0 108.559 178.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 176.67 99.58 0.02 OUTLIER 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.25 -0.886 . . . . 10.0 109.86 178.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -124.03 138.4 54.46 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.299 -0.41 . . . . 10.0 110.555 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 3.0 p -119.12 151.4 38.36 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.147 -0.479 . . . . 10.0 111.884 -179.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -144.2 139.77 28.91 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.626 -0.715 . . . . 10.0 110.417 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -111.93 129.69 56.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 10.0 111.085 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -141.4 138.55 33.05 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.989 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -106.44 125.61 51.22 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.824 -0.625 . . . . 10.0 110.105 179.688 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 2.5 m -138.35 162.84 29.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.591 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 42.2 t -96.98 93.79 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.061 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 19.5 mt -93.3 107.75 19.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.951 -0.568 . . . . 10.0 111.108 -179.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 61.23 23.63 13.83 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.124 -0.944 . . . . 10.0 112.051 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.05 -5.69 68.71 Favored Glycine 0 N--CA 1.451 -0.363 0 N-CA-C 111.068 -0.813 . . . . 10.0 111.068 -179.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -101.66 112.18 24.67 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.669 -0.493 . . . . 10.0 109.669 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.38 119.04 10.25 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.834 -0.432 . . . . 10.0 109.834 179.476 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 26.8 m -123.5 136.08 54.38 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 112.838 0.681 . . . . 10.0 112.838 -178.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 55.9 tp -98.44 108.92 21.73 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 106.97 -1.493 . . . . 10.0 106.97 177.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 38.9 mt -91.07 128.84 37.05 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 113.96 1.096 . . . . 10.0 113.96 -177.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 59.2 t0 -109.56 88.97 2.87 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 107.453 -1.314 . . . . 10.0 107.453 177.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 3.7 mt -85.94 141.83 13.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.417 -0.81 . . . . 10.0 111.079 -178.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 39.5 tp -140.58 110.32 6.42 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.488 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -95.2 101.33 13.07 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 109.039 -0.726 . . . . 10.0 109.039 177.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 76.8 p -85.79 167.05 15.56 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.731 -0.668 . . . . 10.0 111.392 -178.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.58 141.52 55.43 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.884 -0.598 . . . . 10.0 111.008 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -118.39 40.69 2.22 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.755 -0.736 . . . . 10.0 112.456 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -104.59 7.68 35.14 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.811 0.338 . . . . 10.0 110.929 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 58.19 -157.96 0.3 Allowed 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.778 -0.646 . . . . 10.0 112.343 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 77.25 -53.29 0.55 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.81 -0.632 . . . . 10.0 112.008 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -84.82 68.57 10.51 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.09 0.471 . . . . 10.0 112.079 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 9.2 m -67.71 -27.6 66.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.265 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -72.56 -28.45 62.83 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.938 -0.574 . . . . 10.0 111.075 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 23.6 ttt -72.52 -32.01 65.78 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.37 0.605 . . . . 10.0 110.614 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 68' ' ' ARG . . . . . . . . . . . . . 21.2 ttp180 -75.7 -32.12 59.96 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.013 -0.54 . . . . 10.0 111.451 -179.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -57.57 -29.17 64.21 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.084 -0.507 . . . . 10.0 112.291 -179.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -72.63 -59.95 2.47 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 113.516 0.932 . . . . 10.0 113.516 -178.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 71' ' ' TYR . . . . . . . . . . . . . 24.9 p90 -66.73 -14.42 62.53 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 113.636 0.976 . . . . 10.0 113.636 -178.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 26.6 mtt -69.88 -24.8 63.47 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.868 0.365 . . . . 10.0 110.851 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 46.8 mtt180 -80.04 -45.91 17.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.478 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -69.77 -44.11 70.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.532 -0.758 . . . . 10.0 111.757 -179.347 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.27 128.39 36.25 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 121.012 -0.613 . . . . 10.0 113.123 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -79.53 -58.74 3.05 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 109.677 -0.49 . . . . 10.0 109.677 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -112.47 159.77 13.52 Favored Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 111.222 -0.751 . . . . 10.0 111.222 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 78' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -131.68 136.54 47.76 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.819 0.343 . . . . 10.0 110.889 -179.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 18.3 tp -104.76 116.35 31.88 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.228 -0.442 . . . . 10.0 109.832 179.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 13.6 m -83.49 101.01 11.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.489 -0.323 . . . . 10.0 110.134 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 94.9 t -103.73 124.48 58.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.086 -0.506 . . . . 10.0 110.946 -179.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 26.6 p90 -138.47 158.95 43.28 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.717 -0.475 . . . . 10.0 109.717 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -101.23 131.73 47.09 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.722 -0.473 . . . . 10.0 109.722 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 84' ' ' ILE . . . . . . . . . . . . . 38.1 pt -62.84 -19.62 23.65 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 N-CA-C 112.262 0.467 . . . . 10.0 112.262 -178.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 22.3 p-10 -94.79 3.65 54.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.256 0.55 . . . . 10.0 110.547 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 44.1 t-20 -124.95 95.58 4.55 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.879 -0.601 . . . . 10.0 110.237 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -36.78 84.71 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.043 -0.526 . . . . 10.0 111.836 -179.065 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 88' ' ' LYS . . . . . 0.424 ' HZ3' ' CG ' ' C' ' 92' ' ' ASP . 25.0 tptp -60.94 -41.39 96.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.217 -0.447 . . . . 10.0 111.177 -179.546 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 86.9 p -65.22 -24.66 67.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.915 0.388 . . . . 10.0 111.621 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -79.06 -38.38 36.59 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.11 -0.495 . . . . 10.0 110.168 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -71.85 -30.54 65.56 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.298 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 92' ' ' ASP . . . . . 0.424 ' CG ' ' HZ3' ' C' ' 88' ' ' LYS . 36.9 m-20 -66.24 -21.42 66.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.601 -0.727 . . . . 10.0 111.501 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 47.9 mm -56.09 -40.52 64.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.554 -0.294 . . . . 10.0 110.677 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 50.7 t60 -62.76 -50.93 69.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.252 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 47.1 m-70 -58.02 -41.46 83.22 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.696 -0.683 . . . . 10.0 111.104 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 22.1 m-30 -69.83 -42.89 73.04 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.014 -0.539 . . . . 10.0 111.237 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 97' ' ' ARG . . . . . 0.473 ' NH1' ' HZ1' ' C' ' 101' ' ' LYS . 3.8 tmt_? -62.32 -44.55 96.24 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.035 -0.53 . . . . 10.0 111.621 -179.502 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -61.9 -38.24 87.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.401 -0.363 . . . . 10.0 111.15 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -67.2 -41.81 85.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.744 0.306 . . . . 10.0 110.528 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 96.0 mt -54.87 -49.94 65.92 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 CA-C-N 115.773 -0.649 . . . . 10.0 110.632 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 101' ' ' LYS . . . . . 0.473 ' HZ1' ' NH1' ' C' ' 97' ' ' ARG . 39.8 mtmt -63.14 -38.97 93.27 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.753 -0.658 . . . . 10.0 111.182 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 46.6 ttm105 -63.81 -51.06 66.46 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.909 -0.587 . . . . 10.0 111.907 -179.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 53.0 t -68.33 -42.46 84.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 112.604 0.594 . . . . 10.0 112.604 -178.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -82.71 -9.58 59.3 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.641 0.608 . . . . 10.0 112.641 -178.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 15.5 t70 56.79 36.38 27.61 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.309 0.576 . . . . 10.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 43.7 t -140.45 135.27 31.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.714 -0.675 . . . . 10.0 110.434 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -86.32 -29.02 23.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.427 0.632 . . . . 10.0 110.061 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -103.32 106.79 17.39 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.618 -0.719 . . . . 10.0 110.781 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 58.5 t -134.58 132.36 20.72 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 115.552 -0.749 . . . . 10.0 109.735 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_exo -58.0 106.73 0.27 Allowed 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.772 2.315 . . . . 10.0 111.603 179.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 111' ' ' MET . . . . . . . . . . . . . 63.3 mtm -138.57 149.73 45.59 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.645 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 79.1 t -133.83 135.72 54.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 116.149 -0.478 . . . . 10.0 109.742 179.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 28.8 tp -97.48 119.86 36.8 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.239 -0.652 . . . . 10.0 109.239 179.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 2.1 m -128.82 130.19 68.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-O 120.989 0.423 . . . . 10.0 111.415 -179.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -97.11 129.61 9.96 Favored Glycine 0 N--CA 1.445 -0.731 0 N-CA-C 110.835 -0.906 . . . . 10.0 110.835 178.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 116' ' ' ASN . . . . . 0.42 ' ND2' ' N7 ' ' C' ' 201' ' ' GSP . 63.5 t30 -101.86 164.5 11.69 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 122.623 -0.339 . . . . 10.0 111.16 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 95.8 mttt 62.68 33.2 15.78 Favored 'General case' 0 N--CA 1.463 0.212 0 O-C-N 123.593 0.558 . . . . 10.0 111.549 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 118' ' ' CYS . . . . . . . . . . . . . 78.9 m -72.68 -2.12 18.95 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.647 0.61 . . . . 10.0 112.647 -179.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -96.8 -2.9 43.21 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.217 0.532 . . . . 10.0 110.194 179.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 42.9 mt -93.45 145.98 30.99 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.574 -0.739 . . . . 10.0 110.284 179.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -82.34 169.24 14.26 Favored 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 122.796 2.331 . . . . 10.0 112.113 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 3.4 m 58.72 69.87 0.7 Allowed 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.775 -0.648 . . . . 10.0 112.528 179.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 15.4 ptp180 -89.28 144.85 25.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.068 -0.514 . . . . 10.0 110.085 179.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.96 -34.84 15.01 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.778 0.323 . . . . 10.0 110.538 -179.252 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 89.3 t -102.21 117.73 47.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 109.876 -0.416 . . . . 10.0 109.876 178.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 126' ' ' ASP . . . . . 0.437 ' CG ' ' HZ2' ' C' ' 128' ' ' LYS . 10.9 t70 -73.3 151.71 41.21 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.16 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 3.3 m -58.5 -42.52 87.82 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.576 -0.284 . . . . 10.0 111.143 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 128' ' ' LYS . . . . . 0.437 ' HZ2' ' CG ' ' C' ' 126' ' ' ASP . 8.3 pttm -60.22 -42.57 95.46 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 113.434 0.902 . . . . 10.0 113.434 -178.295 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -72.51 -33.34 66.85 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.735 -0.386 . . . . 10.0 111.183 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -70.17 -37.46 75.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.245 0.545 . . . . 10.0 109.629 178.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -69.64 -40.58 76.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.559 -0.746 . . . . 10.0 110.382 179.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -59.9 -46.18 90.18 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.302 -0.408 . . . . 10.0 111.376 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 50.8 tp -59.88 -42.46 93.79 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.07 0.462 . . . . 10.0 110.169 179.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.89 -35.33 80.33 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.036 179.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 7.1 tmm_? -64.87 -42.53 94.77 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 115.772 -0.649 . . . . 10.0 110.583 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 17.5 m -64.83 -27.36 68.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.067 0.461 . . . . 10.0 110.532 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 11.2 m-30 -85.45 -39.22 17.76 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.057 -0.52 . . . . 10.0 110.572 178.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 98.59 25.76 9.72 Favored Glycine 0 N--CA 1.448 -0.541 0 N-CA-C 110.975 -0.85 . . . . 10.0 110.975 -179.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 47.8 pt -114.91 150.42 44.1 Favored Pre-proline 0 C--N 1.326 -0.44 0 N-CA-C 110.36 -0.237 . . . . 10.0 110.36 -179.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -74.43 147.72 37.04 Favored 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 122.507 2.138 . . . . 10.0 112.044 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -128.13 125.88 40.0 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.097 -0.501 . . . . 10.0 110.28 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 78.4 mt -131.09 129.86 63.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.356 -0.384 . . . . 10.0 110.948 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -79.2 128.18 32.98 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.765 -0.828 . . . . 10.0 108.765 178.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 5.3 p -136.37 176.84 8.33 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.902 0.704 . . . . 10.0 112.902 -177.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 6.9 t -161.84 131.87 4.79 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 108.118 -1.068 . . . . 10.0 108.118 178.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -73.48 -27.27 61.3 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.051 0.453 . . . . 10.0 110.977 -179.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 49.5 mttt -70.48 -44.06 68.5 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.827 -0.624 . . . . 10.0 111.551 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 53.9 p -82.41 -27.59 31.92 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.646 -179.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 12.1 tpt180 67.33 23.09 9.35 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 122.221 1.01 . . . . 10.0 108.729 -178.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -89.33 115.57 26.9 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.795 -1.093 . . . . 10.0 111.413 -178.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 77.2 -2.66 60.72 Favored Glycine 0 CA--C 1.52 0.349 0 CA-C-N 116.065 -0.516 . . . . 10.0 113.911 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 37.9 t -66.75 -38.53 81.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.834 0.35 . . . . 10.0 111.482 -179.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -66.95 -45.55 77.43 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.096 0.474 . . . . 10.0 110.837 -179.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -70.95 -27.47 63.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.974 -0.557 . . . . 10.0 112.02 -178.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -56.91 -45.38 82.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.977 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -73.03 -35.77 66.83 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.125 -0.489 . . . . 10.0 111.093 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -62.4 -47.65 83.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.968 -0.56 . . . . 10.0 111.739 -179.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 27.4 m -61.96 -34.87 76.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.57 -0.286 . . . . 10.0 111.323 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 64.0 tp -60.85 -44.58 96.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.301 0.572 . . . . 10.0 109.538 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 78.9 t -67.67 -39.99 83.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.387 -0.824 . . . . 10.0 110.281 179.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 54.2 mtm-85 -63.04 -35.23 79.56 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.825 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 47.8 mm-40 -65.34 -34.78 79.12 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.72 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 54.7 mt -67.7 -42.17 86.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 108.749 -0.834 . . . . 10.0 108.749 178.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -61.54 -39.95 92.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.152 -0.931 . . . . 10.0 110.145 179.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 28.6 ttmt -62.21 -46.98 86.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.718 -0.674 . . . . 10.0 110.646 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 22.0 t-80 -62.13 -47.24 85.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.973 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -64.2 -26.42 68.51 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.974 0.361 . . . . 10.0 111.974 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -81.67 -44.56 16.97 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.734 -0.469 . . . . 10.0 109.734 178.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -60.84 -35.67 77.15 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.947 -0.569 . . . . 10.0 110.969 179.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 83.5 mmm -73.44 -30.27 63.1 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 116.038 -0.528 . . . . 10.0 111.911 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 60.9 m -75.35 -25.85 58.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.074 0.464 . . . . 10.0 111.415 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 31.3 mtpt -94.52 -11.9 28.68 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.442 -0.345 . . . . 10.0 110.935 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 173' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 62.61 -170.17 0.18 Allowed 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.755 -0.657 . . . . 10.0 112.002 179.757 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . -135.6 63.11 0.6 Allowed Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.711 -0.757 . . . . 10.0 112.376 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 175' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -77.12 109.57 11.07 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.072 0.463 . . . . 10.0 110.539 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 176' ' ' LYS . . . . . . . . . . . . . 29.3 ttpt -140.77 108.71 5.7 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.853 -0.612 . . . . 10.0 109.787 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 177' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.57 -39.03 88.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.069 -0.514 . . . . 10.0 111.698 -179.471 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 178' ' ' LYS . . . . . . . . . . . . . 4.0 mtmp? 66.37 82.26 0.19 Allowed 'General case' 0 N--CA 1.463 0.201 0 O-C-N 123.78 0.675 . . . . 10.0 111.013 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 179' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.72 122.86 39.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.097 0.475 . . . . 10.0 111.551 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 180' ' ' LYS . . . . . . . . . . . . . 25.2 mmtt -153.34 -179.72 8.0 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.475 -0.784 . . . . 10.0 109.794 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 35.4 t -87.2 -59.6 2.21 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.675 0.274 . . . . 10.0 110.825 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 182' ' ' LYS . . . . . 0.471 ' HZ2' ' C11' ' B' ' 203' ' ' PCW . 10.4 pttm -162.23 26.41 0.11 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.076 0.465 . . . . 10.0 110.65 -179.459 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -154.45 73.46 0.91 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.91 -0.586 . . . . 10.0 111.2 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 184' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.438 179.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 401' ' ' PCW . . . . . 0.49 ' C31' ' O3 ' ' A' ' 401' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 402' ' ' PCW . . . . . 0.513 ' C35' ' C31' ' A' ' 402' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 403' ' ' PCW . . . . . 0.805 ' C23' ' C28' ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 404' ' ' PCW . . . . . 0.682 ' O31' ' C35' ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 405' ' ' PCW . . . . . 0.534 ' C36' ' C44' ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 406' ' ' PCW . . . . . 0.441 ' C6 ' ' O3P' ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 407' ' ' PCW . . . . . 0.755 ' C21' ' C17' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 408' ' ' PCW . . . . . 0.592 ' O4P' ' C6 ' ' A' ' 408' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 409' ' ' PCW . . . . . 0.818 ' C14' ' C19' ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 410' ' ' PCW . . . . . 0.613 ' C33' ' C12' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 411' ' ' PCW . . . . . 0.534 ' C44' ' C36' ' A' ' 405' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 412' ' ' PCW . . . . . 0.468 ' O31' ' O3 ' ' A' ' 412' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 413' ' ' PCW . . . . . 0.52 ' C11' ' O31' ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 414' ' ' PCW . . . . . 0.64 ' C47' ' C43' ' A' ' 414' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 415' ' ' 17F . . . . . 0.564 ' C2 ' ' O1 ' ' A' ' 415' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 416' ' ' 17F . . . . . 0.445 ' O7 ' ' O10' ' A' ' 416' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 417' ' ' PCW . . . . . 0.544 ' O31' ' P ' ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 418' ' ' PCW . . . . . 0.631 ' C6 ' ' O4P' ' A' ' 418' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 419' ' ' PCW . . . . . 0.604 ' C8 ' ' O31' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 420' ' ' PCW . . . . . 0.571 ' C35' ' C42' ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 421' ' ' PCW . . . . . 0.544 ' O3P' ' O31' ' A' ' 421' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 422' ' ' 17F . . . . . 0.526 ' C6 ' ' C14' ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 601' ' ' PCW . . . . . 0.599 ' C42' ' C46' ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 602' ' ' PCW . . . . . 0.525 ' C6 ' ' O4P' ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 603' ' ' PCW . . . . . 0.432 ' C22' ' C35' ' D' ' 611' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 604' ' ' PCW . . . . . 0.568 ' O3 ' ' O31' ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 605' ' ' PCW . . . . . 0.664 ' O31' ' P ' ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 606' ' ' PCW . . . . . 0.619 ' C14' ' C18' ' D' ' 606' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 607' ' ' PCW . . . . . 0.578 ' C11' ' O31' ' D' ' 607' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 608' ' ' PCW . . . . . 0.492 ' C4 ' ' C22' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 609' ' ' PCW . . . . . 0.459 ' O3 ' ' O31' ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 610' ' ' PCW . . . . . 0.607 ' C20' ' C24' ' D' ' 610' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 611' ' ' PCW . . . . . 0.531 ' O3 ' ' C3 ' ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 612' ' ' PCW . . . . . 0.462 ' C2 ' ' C6 ' ' D' ' 620' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 613' ' ' PCW . . . . . 0.692 ' C21' ' C17' ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 614' ' ' PCW . . . . . 0.568 ' O31' ' C1 ' ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 615' ' ' PCW . . . . . 0.648 ' C46' ' C42' ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 616' ' ' PCW . . . . . 0.508 ' C31' ' O3 ' ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 617' ' ' PCW . . . . . 0.477 ' O3 ' ' O31' ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 618' ' ' PCW . . . . . 0.657 ' C47' ' C43' ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 619' ' ' PCW . . . . . 0.461 ' C16' ' C39' ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 620' ' ' PCW . . . . . 0.462 ' C6 ' ' C2 ' ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 621' ' ' PCW . . . . . 0.505 ' O1P' ' C5 ' ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 622' ' ' PCW . . . . . 0.586 ' O3P' ' O31' ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 623' ' ' PCW . . . . . 0.699 ' C32' ' C36' ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 624' ' ' PCW . . . . . 0.687 ' C24' ' C20' ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 625' ' ' PCW . . . . . 0.625 ' O1P' ' C5 ' ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 626' ' ' PCW . . . . . 0.634 ' C23' ' C27' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 627' ' ' PCW . . . . . 0.591 ' C20' ' C35' ' C' ' 217' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 628' ' ' 17F . . . . . 0.617 ' C31' ' C19' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 629' ' ' 17F . . . . . 0.581 ' O10' ' O7 ' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 630' ' ' 17F . . . . . 0.471 ' O2 ' ' C7 ' ' A' ' 421' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 631' ' ' 17F . . . . . 0.633 ' O10' ' O7 ' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 632' ' ' 17F . . . . . 0.505 ' C6 ' ' O10' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 201' ' ' GSP . . . . . 0.588 ' O3G' 'MG ' ' B' ' 202' ' ' ' MG' . . . . . . . . 0 O4'--C1' 1.437 1.878 2 O4'-C1'-N19 113.368 5.168 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 202' ' ' ' MG' . . . . . 0.588 'MG ' ' O3G' ' B' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 203' ' ' PCW . . . . . 0.471 ' C11' ' HZ2' ' C' ' 182' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 204' ' ' PCW . . . . . 0.677 ' C21' ' C17' ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 205' ' ' PCW . . . . . 0.636 ' C21' ' C25' ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 206' ' ' PCW . . . . . 0.577 ' C6 ' ' O4P' ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 207' ' ' PCW . . . . . 0.564 ' P ' ' C3 ' ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 208' ' ' PCW . . . . . 0.619 ' C43' ' C47' ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 209' ' ' 17F . . . . . 0.653 ' C31' ' C19' ' B' ' 209' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 210' ' ' 17F . . . . . 0.475 ' O6 ' ' C18' ' B' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 211' ' ' 17F . . . . . 0.473 ' C17' ' O7 ' ' B' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 201' ' ' GSP . . . . . 0.657 ' O3G' ' O2B' ' C' ' 201' ' ' GSP . . . . . . . . 0 O4'--C1' 1.438 1.996 2 O4'-C1'-N19 113.667 5.467 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 202' ' ' ' MG' . . . . . 0.623 'MG ' ' O3G' ' C' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 203' ' ' PCW . . . . . 0.616 ' C21' ' C25' ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 204' ' ' PCW . . . . . 0.648 ' C42' ' C46' ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 205' ' ' PCW . . . . . 0.599 ' C12' ' C34' ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 206' ' ' PCW . . . . . 0.486 ' C31' ' O3 ' ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 207' ' ' PCW . . . . . 0.652 ' O1P' ' C3 ' ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 208' ' ' PCW . . . . . 0.418 ' C15' ' C15' ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 209' ' ' PCW . . . . . 0.671 ' C22' ' C26' ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 210' ' ' PCW . . . . . 0.662 ' C26' ' C22' ' C' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 211' ' ' PCW . . . . . 0.508 ' C5 ' ' C1 ' ' C' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 212' ' ' PCW . . . . . 0.641 ' C20' ' C24' ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 213' ' ' 17F . . . . . 0.471 ' O1 ' ' C4 ' ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 214' ' ' 17F . . . . . 0.527 ' O10' ' C7 ' ' C' ' 214' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 215' ' ' 17F . . . . . 0.628 ' O6 ' ' C18' ' C' ' 215' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 216' ' ' PCW . . . . . 0.555 ' O2 ' ' O11' ' C' ' 216' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 217' ' ' PCW . . . . . 0.591 ' C35' ' C20' ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 218' ' ' 17F . . . . . 0.687 ' O7 ' ' C18' ' C' ' 218' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 219' ' ' 17F . . . . . 0.547 ' C1Z' ' C14' ' C' ' 217' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 34.0 mt . . . . . 0 CA--C 1.517 -0.295 0 CA-C-O 121.506 0.669 . . . . 10.0 109.998 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 21.5 tttm -76.81 -47.58 21.06 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.261 -0.881 . . . . 10.0 110.256 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 79.8 mt -63.23 -38.35 90.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 10.0 111.169 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 27.4 mt -63.55 -34.11 77.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.294 0.569 . . . . 10.0 110.183 179.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -72.61 -47.32 48.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.429 -0.805 . . . . 10.0 110.01 179.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -61.72 -39.62 92.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.802 -0.636 . . . . 10.0 109.698 179.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 28.8 t90 -61.94 -33.67 74.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.348 -0.842 . . . . 10.0 110.319 178.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -61.55 -48.85 79.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.961 0.41 . . . . 10.0 110.607 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 49.8 m -59.71 -41.38 90.68 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.478 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 59.8 t -65.89 -39.38 84.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.181 0.515 . . . . 10.0 109.713 178.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 94.1 m -61.55 -45.73 92.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.773 -0.649 . . . . 10.0 109.792 178.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 20.2 m -63.66 -31.2 72.3 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.178 178.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 27.2 m -66.17 -41.57 90.12 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 109.139 -0.689 . . . . 10.0 109.139 178.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -61.96 -40.32 95.17 Favored 'General case' 0 N--CA 1.457 -0.121 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.476 179.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 1.4 m -60.16 -52.28 66.0 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 109.679 -0.489 . . . . 10.0 109.679 179.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 43.0 mmtt -59.08 -39.23 81.5 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.708 -0.678 . . . . 10.0 110.378 179.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 43.2 mt -62.7 -46.62 87.31 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-N 115.646 -0.706 . . . . 10.0 110.776 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 11.3 mtp180 -63.27 -38.06 89.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.391 -0.368 . . . . 10.0 110.717 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -64.46 -31.26 72.39 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 116.253 -0.431 . . . . 10.0 110.644 179.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -85.73 -39.04 17.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.299 179.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 35.8 mt -56.19 -40.64 74.27 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.858 -0.61 . . . . 10.0 111.716 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -50.9 -67.49 1.91 Allowed Glycine 0 CA--C 1.52 0.359 0 C-N-CA 121.11 -0.567 . . . . 10.0 111.756 179.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -54.04 -40.78 79.95 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 123.009 2.473 . . . . 10.0 111.293 178.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 24.3 t -56.34 -42.57 74.66 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-O 120.81 0.338 . . . . 10.0 110.24 179.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 14.5 m -62.23 -45.25 94.17 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.643 -0.503 . . . . 10.0 109.643 178.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -62.98 -46.21 88.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.888 -0.596 . . . . 10.0 111.063 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -62.43 -52.64 62.77 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.262 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 5.3 m-30 -61.53 -41.7 97.72 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.043 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -63.62 -38.26 90.46 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 116.629 -0.26 . . . . 10.0 110.466 179.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -61.34 -48.7 80.13 Favored 'General case' 0 CA--C 1.52 -0.179 0 N-CA-C 109.373 -0.602 . . . . 10.0 109.373 178.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 -63.99 -43.9 94.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.606 -0.724 . . . . 10.0 110.081 179.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 47.4 mt -60.06 -44.67 94.54 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 115.945 -0.571 . . . . 10.0 110.665 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -63.78 -32.18 73.59 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 116.44 -0.345 . . . . 10.0 111.269 179.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -73.52 -35.0 65.52 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.208 -0.664 . . . . 10.0 109.208 178.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -67.47 -48.87 65.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.489 -0.778 . . . . 10.0 109.063 178.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 4.4 p -65.43 -34.82 79.19 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 116.015 -0.539 . . . . 10.0 109.947 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -61.61 -44.09 97.64 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 108.49 -0.93 . . . . 10.0 108.49 177.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -61.78 -41.37 99.61 Favored Glycine 0 N--CA 1.447 -0.574 0 N-CA-C 110.429 -1.068 . . . . 10.0 110.429 178.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 94.8 mt -65.48 -34.45 78.3 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-O 120.896 0.379 . . . . 10.0 110.399 178.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 49.9 mtt180 -68.38 -36.55 79.33 Favored 'General case' 0 CA--C 1.519 -0.243 0 N-CA-C 109.358 -0.608 . . . . 10.0 109.358 178.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -69.93 -41.24 74.87 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 108.41 -0.959 . . . . 10.0 108.41 177.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -67.16 -26.87 66.87 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-N 115.235 -0.893 . . . . 10.0 110.265 178.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 39.1 ttm -58.06 -36.01 72.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.91 0.386 . . . . 10.0 110.172 178.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 17.7 m -74.81 8.21 2.6 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.409 -0.814 . . . . 10.0 111.125 179.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -132.13 -57.46 0.97 Allowed 'General case' 0 C--O 1.22 -0.496 0 CA-C-N 115.809 -0.632 . . . . 10.0 109.493 179.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 246' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -57.24 -59.91 4.41 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.524 -0.762 . . . . 10.0 111.228 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . 95.1 mt -76.88 -36.34 56.79 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.18 -0.464 . . . . 10.0 111.579 -179.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -65.75 -47.71 74.32 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.264 0.468 . . . . 10.0 112.264 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -69.56 -30.8 68.67 Favored 'General case' 0 CA--C 1.517 -0.309 0 C-N-CA 121.208 -0.197 . . . . 10.0 110.83 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 250' ' ' VAL . . . . . . . . . . . . . 1.4 p -70.67 -30.16 41.1 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.339 0 C-N-CA 120.577 -0.449 . . . . 10.0 110.485 179.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -81.25 -34.2 32.27 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.159 0.504 . . . . 10.0 110.124 178.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -73.17 -44.27 60.2 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.063 179.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -80.32 -18.39 49.33 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.786 -0.643 . . . . 10.0 112.033 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 254' ' ' VAL . . . . . . . . . . . . . 1.2 p -63.53 -26.33 40.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 C-N-CA 120.859 -0.337 . . . . 10.0 110.623 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -61.82 -63.56 4.12 Favored Pre-proline 0 CA--C 1.539 0.555 0 CA-C-N 116.416 -0.356 . . . . 10.0 110.557 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -65.92 -32.67 44.69 Favored 'Trans proline' 0 C--N 1.359 1.126 0 C-N-CA 121.449 1.433 . . . . 10.0 111.582 178.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 4.8 m-30 -61.62 -56.09 23.62 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 120.882 0.373 . . . . 10.0 110.285 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 19.3 mt -67.72 -40.25 84.26 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.983 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -57.65 -45.13 85.91 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 116.477 -0.329 . . . . 10.0 111.073 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 260' ' ' ASP . . . . . 0.479 ' CG ' ' HZ3' ' A' ' 264' ' ' LYS . 38.2 t70 -64.8 -50.95 64.74 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.132 -0.485 . . . . 10.0 111.115 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -63.2 -37.34 86.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.895 0.378 . . . . 10.0 111.019 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -67.14 -43.11 83.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.105 -0.498 . . . . 10.0 109.769 178.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.36 -41.47 89.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.995 -0.548 . . . . 10.0 109.804 179.019 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 264' ' ' LYS . . . . . 0.479 ' HZ3' ' CG ' ' A' ' 260' ' ' ASP . 42.7 mttp -62.6 -41.38 98.94 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 108.981 -0.748 . . . . 10.0 108.981 178.614 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 1.6 m95 -65.91 -34.74 78.81 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.396 -0.82 . . . . 10.0 110.148 178.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -59.38 -48.75 80.47 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 108.817 -0.808 . . . . 10.0 108.817 178.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -61.84 -44.41 96.89 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.333 -0.849 . . . . 10.0 109.376 178.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -58.78 -46.06 88.38 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.877 179.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 93.0 mmm -65.68 -43.87 87.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.101 -0.5 . . . . 10.0 110.793 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -62.19 -46.8 87.31 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.466 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 83.5 mt -62.97 -41.64 99.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 10.0 110.197 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -64.47 -41.45 96.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.96 179.256 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 86.6 mtt180 -72.36 -37.26 68.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.001 0.429 . . . . 10.0 111.356 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -65.0 -33.61 76.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.925 -0.58 . . . . 10.0 110.117 178.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 275' ' ' LYS . . . . . . . . . . . . . 9.9 mptt -87.18 -37.89 16.89 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.828 -0.624 . . . . 10.0 111.138 179.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 2.8 p -56.24 -32.35 34.64 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.141 0 N-CA-C 112.202 0.445 . . . . 10.0 112.202 -179.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -60.98 -63.71 3.99 Favored Pre-proline 0 CA--C 1.538 0.493 0 C-N-CA 121.033 -0.267 . . . . 10.0 111.262 179.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -66.18 -34.77 35.38 Favored 'Trans proline' 0 C--N 1.355 0.885 0 C-N-CA 121.74 1.627 . . . . 10.0 112.119 178.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 14.8 mt -63.83 -40.95 97.81 Favored 'General case' 0 C--N 1.334 -0.075 0 C-N-CA 120.775 -0.37 . . . . 10.0 110.675 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -68.46 -31.26 70.43 Favored 'General case' 0 CA--C 1.522 -0.131 0 N-CA-C 108.921 -0.77 . . . . 10.0 108.921 178.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -68.44 -46.88 68.66 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 108.852 -0.795 . . . . 10.0 108.852 178.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -60.58 -44.95 95.63 Favored 'General case' 0 C--O 1.227 -0.117 0 CA-C-N 115.828 -0.624 . . . . 10.0 109.617 178.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 34.3 mt -63.83 -42.0 97.72 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.352 179.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -58.14 -58.41 8.55 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.632 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -64.24 -38.84 92.47 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.907 -0.588 . . . . 10.0 111.113 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -61.43 -42.39 99.76 Favored Glycine 0 N--CA 1.444 -0.798 0 N-CA-C 111.298 -0.721 . . . . 10.0 111.298 178.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -69.39 -36.91 77.25 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.692 -0.485 . . . . 10.0 109.692 178.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 69.6 mtt180 -59.29 -48.38 81.84 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.226 179.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 11.0 tm0? -60.98 -50.16 74.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.683 -0.69 . . . . 10.0 110.584 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 44.8 mttp -61.87 -41.36 97.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.073 -0.512 . . . . 10.0 111.388 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 25.8 mt -66.71 -40.52 88.46 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.719 -0.219 . . . . 10.0 110.938 179.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -63.34 -45.4 91.41 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 110.142 -0.318 . . . . 10.0 110.142 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.31 -41.26 96.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.071 -0.513 . . . . 10.0 109.948 178.597 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 41.7 mt -67.43 -41.91 84.04 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.048 -0.524 . . . . 10.0 110.806 179.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -63.95 -37.84 88.88 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.374 -0.375 . . . . 10.0 110.719 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -66.34 -9.72 35.94 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.648 -0.705 . . . . 10.0 111.049 179.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -110.98 -39.01 4.92 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.001 178.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 53.8 mt -58.82 -28.02 65.62 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.159 -0.473 . . . . 10.0 111.961 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 299' ' ' SER . . . . . . . . . . . . . 11.5 m -84.11 -64.92 0.23 Allowed Pre-proline 0 CA--C 1.541 0.623 0 N-CA-C 112.288 0.477 . . . . 10.0 112.288 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 300' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_exo -59.42 -48.12 14.55 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 122.485 2.123 . . . . 10.0 112.205 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 94.6 mt -72.49 -30.31 64.42 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.648 -0.501 . . . . 10.0 109.648 179.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -66.19 -49.06 59.93 Favored Glycine 0 N--CA 1.444 -0.814 0 N-CA-C 110.514 -1.034 . . . . 10.0 110.514 178.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -62.73 -38.78 91.83 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 109.534 -0.543 . . . . 10.0 109.534 178.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -62.99 -41.68 99.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.436 -0.802 . . . . 10.0 109.884 178.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 6.4 tpt -67.39 -39.39 85.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.955 -0.566 . . . . 10.0 109.845 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 75.8 mtt180 -68.45 -38.36 81.06 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.532 -0.544 . . . . 10.0 109.532 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -65.39 -42.11 92.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.626 -0.716 . . . . 10.0 109.562 178.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -69.96 -31.48 69.22 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.463 -0.79 . . . . 10.0 109.8 178.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -63.61 -35.88 81.98 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.338 -0.616 . . . . 10.0 109.338 178.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 310' ' ' ARG . . . . . . . . . . . . . 67.1 mtt180 -60.16 -49.26 78.32 Favored 'General case' 0 C--O 1.223 -0.336 0 N-CA-C 108.756 -0.831 . . . . 10.0 108.756 178.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -64.87 -40.68 95.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.466 179.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -56.77 -54.13 49.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.808 -0.633 . . . . 10.0 109.941 179.373 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 52.0 t -72.82 -34.16 45.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.859 -0.609 . . . . 10.0 111.717 -179.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -64.36 -45.81 86.12 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 122.263 -0.273 . . . . 10.0 110.582 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -62.47 -37.06 84.47 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.019 -0.734 . . . . 10.0 109.019 178.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 26.0 mt -68.45 -42.69 78.47 Favored 'General case' 0 C--O 1.218 -0.598 0 CA-C-N 115.483 -0.78 . . . . 10.0 110.15 178.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 11.9 mtm105 -63.56 -41.32 98.41 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.991 0.424 . . . . 10.0 110.689 179.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 4.7 m -68.42 -18.66 64.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.478 0.656 . . . . 10.0 110.293 179.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -93.23 -40.53 10.4 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.554 -0.748 . . . . 10.0 109.746 178.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 75.9 mt -67.72 -33.66 75.33 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.818 -0.628 . . . . 10.0 111.478 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -53.38 -59.25 9.79 Favored Pre-proline 0 CA--C 1.537 0.475 0 N-CA-C 112.025 0.38 . . . . 10.0 112.025 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -72.72 -33.72 7.85 Favored 'Trans proline' 0 C--N 1.353 0.814 0 C-N-CA 121.589 1.526 . . . . 10.0 111.806 178.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 7.7 m-30 -65.43 -39.39 92.04 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 112.03 0.381 . . . . 10.0 112.03 -179.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 50.0 p -65.9 -38.3 88.35 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.933 -0.395 . . . . 10.0 109.933 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -67.62 -36.81 81.52 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.57 -0.53 . . . . 10.0 109.57 178.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 71.7 mt-10 -66.09 -34.37 77.91 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 108.507 -0.923 . . . . 10.0 108.507 177.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 15.6 mt -66.07 -37.58 86.15 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 108.793 -0.817 . . . . 10.0 108.793 177.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 85.9 mtt180 -65.35 -44.67 86.94 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 108.404 -0.961 . . . . 10.0 108.404 178.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -62.63 -39.85 95.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.733 -0.667 . . . . 10.0 109.524 178.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 27.0 mtt180 -61.91 -53.83 50.29 Favored 'General case' 0 C--O 1.223 -0.329 0 CA-C-N 115.75 -0.659 . . . . 10.0 109.705 178.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 64.4 mt -60.97 -37.92 84.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.936 -0.575 . . . . 10.0 111.242 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -63.4 -51.97 63.59 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.994 -0.373 . . . . 10.0 109.994 178.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -62.06 -44.98 95.52 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.58 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 39.8 mtt180 -60.19 -48.78 80.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.007 -0.542 . . . . 10.0 111.034 179.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 49.0 mt -68.0 -27.75 66.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.35 -0.386 . . . . 10.0 111.322 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -69.16 -43.68 73.79 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.082 -0.711 . . . . 10.0 109.082 178.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -68.0 -48.55 65.46 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.586 -0.734 . . . . 10.0 109.615 178.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 75.0 mt -63.32 -23.03 67.24 Favored 'General case' 0 C--O 1.223 -0.307 0 CA-C-N 115.761 -0.654 . . . . 10.0 111.346 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -72.12 -47.05 54.04 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 110.017 -0.364 . . . . 10.0 110.017 179.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -71.83 -47.71 51.29 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 120.98 0.419 . . . . 10.0 110.177 179.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -62.25 -41.04 98.09 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.778 -0.646 . . . . 10.0 109.764 178.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -64.06 -43.07 97.82 Favored Glycine 0 N--CA 1.45 -0.391 0 N-CA-C 111.385 -0.686 . . . . 10.0 111.385 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -61.83 -43.25 99.48 Favored Glycine 0 C--N 1.33 0.207 0 N-CA-C 110.788 -0.925 . . . . 10.0 110.788 178.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -63.49 -45.18 91.88 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.527 -0.546 . . . . 10.0 109.527 178.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 28.0 mtm180 -64.01 -37.46 87.52 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 115.961 -0.563 . . . . 10.0 111.005 179.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 20.0 mt -61.84 -46.69 88.38 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.847 -0.427 . . . . 10.0 109.847 179.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.18 -41.8 97.45 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.59 -0.522 . . . . 10.0 109.59 178.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -65.97 -40.89 91.67 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.687 -0.688 . . . . 10.0 110.628 178.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -61.63 -43.84 98.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.239 -0.437 . . . . 10.0 110.546 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 69.0 m-70 -68.31 -37.52 80.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 10.0 109.992 179.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -63.39 -44.26 95.23 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 109.527 -0.546 . . . . 10.0 109.527 178.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 13.5 mttm -68.13 -40.65 82.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.541 -0.754 . . . . 10.0 110.093 179.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.52 -37.42 78.29 Favored 'General case' 0 C--O 1.225 -0.235 0 N-CA-C 109.67 -0.492 . . . . 10.0 109.67 178.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 83.1 m -64.98 -40.36 94.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.901 -0.59 . . . . 10.0 109.809 178.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -69.26 -35.73 76.39 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 116.262 -0.427 . . . . 10.0 110.188 178.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -69.58 -35.88 75.76 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.05 -0.722 . . . . 10.0 109.05 178.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 23.0 mt -70.83 -41.13 71.93 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.973 -0.558 . . . . 10.0 111.879 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 4.1 p -64.84 -41.24 95.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.918 0.39 . . . . 10.0 110.815 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 3.0 p -74.19 -29.05 61.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.309 -0.405 . . . . 10.0 109.991 178.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 27.4 tp -64.98 -31.18 72.3 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 115.429 -0.805 . . . . 10.0 109.266 178.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 4.9 m -60.13 -35.64 75.72 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.324 -0.398 . . . . 10.0 109.997 178.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -66.53 -25.7 66.79 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.281 0.562 . . . . 10.0 110.14 178.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 363' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -89.61 -32.05 17.28 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.872 -0.603 . . . . 10.0 110.252 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -82.06 -28.11 32.59 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.886 0.698 . . . . 10.0 112.886 -178.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -107.51 -75.19 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 N-CA-C 112.83 0.678 . . . . 10.0 112.83 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -57.29 -56.78 1.6 Allowed 'Trans proline' 0 C--N 1.356 0.931 0 C-N-CA 122.141 1.894 . . . . 10.0 112.925 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 367' ' ' ALA . . . . . . . . . . . . . . . -59.46 -48.57 81.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.608 -0.269 . . . . 10.0 111.705 -179.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 1.7 mt -61.81 -42.26 98.8 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 111.78 0.289 . . . . 10.0 111.78 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -64.39 -43.85 93.18 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.902 -0.319 . . . . 10.0 110.402 179.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -61.21 -42.8 99.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.284 0.564 . . . . 10.0 109.947 178.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 72.7 mt -64.52 -44.38 91.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.6 -0.727 . . . . 10.0 110.361 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 -65.91 -44.58 84.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.29 -0.414 . . . . 10.0 111.01 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -64.21 -24.68 67.76 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.512 179.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -89.08 -32.49 10.62 Favored Glycine 0 N--CA 1.446 -0.678 0 N-CA-C 111.003 -0.839 . . . . 10.0 111.003 178.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 29.4 mt -65.83 -33.59 76.2 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 122.885 -0.185 . . . . 10.0 110.898 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 72.0 mt -54.08 -62.42 3.9 Favored Pre-proline 0 CA--C 1.538 0.481 0 N-CA-C 112.274 0.472 . . . . 10.0 112.274 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_endo -63.6 -33.12 68.49 Favored 'Trans proline' 0 C--N 1.355 0.888 0 C-N-CA 121.778 1.652 . . . . 10.0 111.962 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 41.1 t -65.23 -48.38 83.73 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 N-CA-C 109.872 -0.418 . . . . 10.0 109.872 179.058 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 35.0 mt -63.62 -36.88 85.29 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.545 -0.539 . . . . 10.0 109.545 178.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -63.7 -49.41 73.23 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.315 -0.402 . . . . 10.0 110.908 179.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 1.6 p -63.37 -33.9 76.55 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.231 0.538 . . . . 10.0 109.641 178.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -68.51 -36.63 79.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.564 -0.744 . . . . 10.0 109.693 178.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -58.51 -48.84 79.49 Favored 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 109.221 -0.659 . . . . 10.0 109.221 178.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 17.7 t -62.13 -44.63 99.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.814 -0.63 . . . . 10.0 109.598 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 36.2 m -61.38 -40.2 93.47 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.979 179.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -68.44 -43.11 77.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.407 -0.36 . . . . 10.0 110.312 179.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 86.1 mt -57.5 -47.22 82.53 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.521 179.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 2.4 p -65.5 -38.29 89.3 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.422 -0.354 . . . . 10.0 110.478 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -61.76 -44.19 97.38 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.367 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 74.0 mt -60.22 -46.4 89.9 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 115.88 -0.6 . . . . 10.0 109.957 179.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -59.66 -42.96 94.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.595 -0.729 . . . . 10.0 111.039 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -57.56 -44.98 85.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.891 0.377 . . . . 10.0 110.964 179.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -65.35 -43.52 90.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.14 0.495 . . . . 10.0 110.562 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 20.4 m -67.05 -32.1 73.06 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.98 -0.554 . . . . 10.0 112.122 -179.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -79.76 -39.59 30.65 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.699 0.629 . . . . 10.0 112.699 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -89.07 -29.52 19.36 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 114.129 1.159 . . . . 10.0 114.129 -177.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 32.2 mt -100.03 -14.37 18.67 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.849 0.685 . . . . 10.0 112.849 -178.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 58.1 t30 . . . . . 0 C--N 1.324 -0.508 0 CA-C-O 120.535 0.207 . . . . 10.0 111.145 -179.221 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 1.5 mm? . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.948 0.404 . . . . 10.0 110.938 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 26.9 mtpt -107.65 14.39 25.7 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.084 -0.507 . . . . 10.0 109.959 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 80.6 mt -62.21 -41.95 98.85 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.506 -0.77 . . . . 10.0 110.464 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 84.5 mt -61.3 -39.77 91.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.808 -0.633 . . . . 10.0 111.152 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -63.23 -47.7 81.36 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.829 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -68.1 -46.98 69.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.983 0.421 . . . . 10.0 110.834 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -38.82 81.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.785 -0.643 . . . . 10.0 111.636 -179.445 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -60.82 -46.41 90.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.396 -0.365 . . . . 10.0 110.761 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 2.5 m -63.42 -34.65 78.21 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-O 120.937 0.398 . . . . 10.0 110.522 179.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 93.6 t -67.24 -37.98 80.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 N-CA-C 108.196 -1.038 . . . . 10.0 108.196 178.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 55.9 m -60.71 -42.91 98.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.363 -0.835 . . . . 10.0 109.349 178.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.28 -41.53 89.13 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.783 -0.644 . . . . 10.0 110.061 178.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 41.7 m -63.51 -39.5 94.6 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.556 -0.747 . . . . 10.0 110.115 179.035 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 11.8 m-30 -64.2 -42.92 96.43 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 116.132 -0.486 . . . . 10.0 109.695 178.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 13.5 m -64.0 -40.43 96.34 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.577 -0.527 . . . . 10.0 109.577 178.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 25.0 mmtm -64.16 -30.74 71.79 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 116.07 -0.514 . . . . 10.0 109.893 178.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 43.1 mt -68.81 -37.58 79.33 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 108.822 -0.807 . . . . 10.0 108.822 177.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -70.19 -34.45 72.98 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 109.411 -0.588 . . . . 10.0 109.411 178.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -64.22 -25.89 68.27 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-N 115.334 -0.848 . . . . 10.0 109.272 178.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -85.02 -55.88 3.84 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 108.459 -0.941 . . . . 10.0 108.459 177.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 87.3 mt -45.05 -47.82 11.77 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.173 -0.921 . . . . 10.0 112.998 -179.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -53.24 -78.07 0.12 Allowed Glycine 0 CA--C 1.522 0.49 0 C-N-CA 121.172 -0.537 . . . . 10.0 112.96 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -54.93 -37.69 93.14 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.942 2.428 . . . . 10.0 112.769 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 22.1 t -62.35 -49.91 82.03 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.349 0 O-C-N 123.258 0.349 . . . . 10.0 111.656 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 30.5 p -64.68 -33.17 75.32 Favored 'General case' 0 C--O 1.223 -0.306 0 C-N-CA 120.537 -0.465 . . . . 10.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -60.63 -50.06 75.02 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.898 0.38 . . . . 10.0 110.395 179.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -77.48 -32.14 54.11 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.294 -0.412 . . . . 10.0 110.52 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -66.05 -37.79 86.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.526 -0.306 . . . . 10.0 110.25 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 3.1 m0 -62.29 -42.91 99.76 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.153 -0.684 . . . . 10.0 109.153 178.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -67.63 -37.16 82.06 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.149 -0.686 . . . . 10.0 109.149 178.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -61.46 -44.11 97.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.647 -0.706 . . . . 10.0 109.139 177.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 59.9 mt -64.44 -34.8 79.04 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 115.474 -0.784 . . . . 10.0 109.184 178.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -68.7 -38.27 80.14 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 115.475 -0.784 . . . . 10.0 109.404 178.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 53.7 mttp -59.53 -43.75 93.39 Favored 'General case' 0 C--O 1.233 0.223 0 N-CA-C 108.29 -1.004 . . . . 10.0 108.29 177.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -63.2 -51.79 64.91 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.005 -0.998 . . . . 10.0 110.256 179.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -60.04 -45.04 94.15 Favored 'General case' 0 C--O 1.221 -0.407 0 N-CA-C 111.764 0.283 . . . . 10.0 111.764 -179.601 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -61.15 -44.97 96.49 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.038 0.447 . . . . 10.0 110.163 178.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -64.39 -46.65 89.94 Favored Glycine 0 N--CA 1.448 -0.537 0 N-CA-C 110.726 -0.95 . . . . 10.0 110.726 178.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.03 -30.58 71.64 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 115.636 -0.282 . . . . 10.0 110.806 179.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 73.3 mtt180 -64.33 -39.2 93.43 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.73 -0.47 . . . . 10.0 109.73 178.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -68.72 -33.89 74.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.887 -0.597 . . . . 10.0 109.486 178.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -71.76 -44.44 64.04 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.46 -0.791 . . . . 10.0 109.33 178.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 93.5 mmm -61.57 -43.66 98.45 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.252 -0.885 . . . . 10.0 112.339 -179.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 3.7 p -62.09 -46.9 87.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.898 0.38 . . . . 10.0 110.357 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -65.55 -33.32 75.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.149 0.5 . . . . 10.0 110.798 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -73.14 -55.84 5.92 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.728 -0.669 . . . . 10.0 110.58 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 95.9 mt -59.96 -46.63 88.79 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 113.03 0.752 . . . . 10.0 113.03 -178.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -62.25 -39.26 92.3 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.704 -0.398 . . . . 10.0 110.662 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 447' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -71.27 -34.51 70.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.917 -0.583 . . . . 10.0 109.989 178.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 2.4 t -60.55 -42.83 92.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.246 -0.433 . . . . 10.0 110.198 179.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 78.3 mttt -64.22 -33.04 74.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.238 0.542 . . . . 10.0 109.716 178.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -92.07 15.13 14.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.38 -0.827 . . . . 10.0 110.939 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 42.1 mttm -129.43 -51.12 1.18 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.41 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 87.0 t -61.33 -35.82 68.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.775 0.321 . . . . 10.0 110.77 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -63.76 -62.59 5.08 Favored Pre-proline 0 CA--C 1.538 0.515 0 CA-C-N 116.561 -0.29 . . . . 10.0 111.474 179.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_endo -62.64 -33.76 76.49 Favored 'Trans proline' 0 C--N 1.355 0.877 0 C-N-CA 122.197 1.931 . . . . 10.0 112.358 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -68.87 -46.27 68.85 Favored 'General case' 0 C--O 1.224 -0.288 0 C-N-CA 121.136 -0.226 . . . . 10.0 110.523 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 11.0 mt -64.33 -36.36 83.86 Favored 'General case' 0 CA--C 1.515 -0.385 0 C-N-CA 120.708 -0.397 . . . . 10.0 110.117 179.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -63.02 -50.0 72.39 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.66 -0.496 . . . . 10.0 109.66 178.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 458' ' ' ASP . . . . . 0.457 ' CG ' ' HZ2' ' D' ' 462' ' ' LYS . 27.1 t70 -65.18 -35.81 82.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.784 -0.644 . . . . 10.0 110.805 179.03 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.91 -43.25 75.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.082 -0.508 . . . . 10.0 109.875 179.122 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -65.7 -31.66 72.79 Favored 'General case' 0 CA--C 1.519 -0.224 0 N-CA-C 109.818 -0.438 . . . . 10.0 109.818 178.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 65.9 mttt -62.88 -44.02 97.22 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 108.564 -0.902 . . . . 10.0 108.564 177.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 462' ' ' LYS . . . . . 0.457 ' HZ2' ' CG ' ' D' ' 458' ' ' ASP . 13.4 mtmm -69.65 -37.27 76.67 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.376 -0.829 . . . . 10.0 109.821 178.561 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 38.5 m0 -63.44 -39.38 94.33 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 108.937 -0.764 . . . . 10.0 108.937 178.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -63.7 -40.78 97.63 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 108.918 -0.771 . . . . 10.0 108.918 178.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 465' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -60.97 -53.93 51.26 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.273 -0.64 . . . . 10.0 109.273 178.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.04 -50.66 72.67 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.7 -0.682 . . . . 10.0 111.752 -179.482 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 70.2 mtm -61.24 -36.42 79.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.871 0.367 . . . . 10.0 111.103 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -69.4 -42.1 75.55 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.208 -0.664 . . . . 10.0 109.208 179.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 469' ' ' LEU . . . . . . . . . . . . . 94.9 mt -63.42 -26.86 68.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.282 -0.872 . . . . 10.0 110.679 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 19.3 m-30 -68.32 -27.82 66.63 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.097 0.475 . . . . 10.0 109.95 179.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 71.2 mtt85 -77.35 -22.61 51.54 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.578 -0.527 . . . . 10.0 109.578 178.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -99.58 -5.59 28.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.783 -0.644 . . . . 10.0 110.969 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 473' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -127.07 -76.17 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.321 -0.4 . . . . 10.0 111.98 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 61.9 t -49.96 -52.99 12.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 N-CA-C 113.039 0.755 . . . . 10.0 113.039 -178.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -58.14 -58.44 18.77 Favored Pre-proline 0 CA--C 1.537 0.471 0 N-CA-C 113.929 1.085 . . . . 10.0 113.929 -179.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -62.86 -34.78 70.89 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 121.968 1.779 . . . . 10.0 111.601 178.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 31.6 mt -67.95 -27.67 66.81 Favored 'General case' 0 C--O 1.225 -0.189 0 N-CA-C 109.853 -0.425 . . . . 10.0 109.853 178.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 67.5 mtt180 -71.11 -25.52 62.63 Favored 'General case' 0 CA--C 1.516 -0.347 0 N-CA-C 109.337 -0.616 . . . . 10.0 109.337 177.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -79.77 -36.65 36.83 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 107.594 -1.262 . . . . 10.0 107.594 177.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.53 -41.16 93.4 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 108.066 -1.087 . . . . 10.0 108.066 177.25 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 58.3 mt -73.53 -28.65 62.0 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 115.097 -0.956 . . . . 10.0 110.032 178.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -63.75 -55.23 24.79 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 108.299 -1.0 . . . . 10.0 108.299 178.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -64.3 -39.38 93.8 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.76 -0.654 . . . . 10.0 109.574 178.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -61.3 -41.8 99.6 Favored Glycine 0 N--CA 1.447 -0.592 0 N-CA-C 111.319 -0.712 . . . . 10.0 111.319 178.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -68.18 -41.56 81.28 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 109.404 -0.591 . . . . 10.0 109.404 178.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 60.9 mtt180 -60.7 -42.2 96.71 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.906 -0.588 . . . . 10.0 109.88 178.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -65.96 -46.44 78.11 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.509 178.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -62.75 -42.57 99.74 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.912 179.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 36.1 mt -63.97 -35.55 81.07 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.487 -0.56 . . . . 10.0 109.487 178.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 8.2 t-160 -68.85 -39.27 79.99 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 108.518 -0.919 . . . . 10.0 108.518 178.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -62.67 -39.34 93.61 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 108.627 -0.879 . . . . 10.0 108.627 177.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 96.4 mt -71.8 -41.82 67.82 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-N 115.587 -0.733 . . . . 10.0 111.322 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 493' ' ' GLN . . . . . 0.433 ' C ' ' H ' ' D' ' 495' ' ' LYS . 75.3 mt-30 -56.58 -44.22 80.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.984 0.421 . . . . 10.0 110.64 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -74.4 14.0 0.51 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.68 -0.691 . . . . 10.0 111.833 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 495' ' ' LYS . . . . . 0.433 ' H ' ' C ' ' D' ' 493' ' ' GLN . 54.5 mttp -131.74 -40.58 1.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.885 -0.598 . . . . 10.0 109.578 178.647 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 60.6 mt -70.31 -28.35 65.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.814 -0.63 . . . . 10.0 111.669 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 497' ' ' SER . . . . . . . . . . . . . 22.1 m -79.2 -62.89 0.41 Allowed Pre-proline 0 CA--C 1.536 0.408 0 C-N-CA 120.641 -0.423 . . . . 10.0 111.681 178.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 498' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_endo -62.13 -60.68 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 C-N-CA 122.032 1.821 . . . . 10.0 112.311 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 499' ' ' LEU . . . . . . . . . . . . . 5.6 mp -65.52 -26.45 67.9 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 116.751 -0.204 . . . . 10.0 110.505 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -64.39 -48.21 76.39 Favored Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 110.971 -0.852 . . . . 10.0 110.971 178.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -70.61 -29.88 66.39 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 109.138 -0.69 . . . . 10.0 109.138 178.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 502' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -66.75 -45.42 78.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.53 -0.759 . . . . 10.0 109.286 178.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 81.4 mmm -62.11 -37.94 87.03 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.16 0.505 . . . . 10.0 109.832 178.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 87.9 mtt180 -67.08 -41.87 85.62 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.755 -0.657 . . . . 10.0 109.55 178.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -64.58 -39.82 94.42 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.544 -0.753 . . . . 10.0 109.582 179.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 506' ' ' ARG . . . . . . . . . . . . . 84.3 mtt180 -62.4 -45.39 93.33 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 108.016 -1.105 . . . . 10.0 108.016 177.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -59.61 -39.94 85.9 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-N 115.371 -0.831 . . . . 10.0 109.869 179.021 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 508' ' ' ARG . . . . . . . . . . . . . 73.6 mtt180 -58.23 -46.87 85.12 Favored 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 109.435 -0.58 . . . . 10.0 109.435 178.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -65.15 -40.99 95.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.591 -0.732 . . . . 10.0 110.234 179.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 33.7 m-70 -61.2 -51.0 70.85 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.066 -0.516 . . . . 10.0 110.128 179.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 60.7 t -65.06 -37.98 81.61 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.122 0 N-CA-C 110.029 -0.36 . . . . 10.0 110.029 179.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -57.99 -44.11 86.99 Favored 'General case' 0 CA--C 1.52 -0.188 0 N-CA-C 108.966 -0.754 . . . . 10.0 108.966 178.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -67.83 -44.24 77.67 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.557 -0.747 . . . . 10.0 109.308 178.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 514' ' ' LEU . . . . . . . . . . . . . 97.7 mt -56.79 -37.9 71.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.101 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 515' ' ' ARG . . . . . . . . . . . . . 64.1 mtt180 -65.81 -30.27 70.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.909 0.385 . . . . 10.0 110.853 179.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.18 0.59 46.16 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 116.092 -0.504 . . . . 10.0 111.229 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 23.3 m170 -111.45 -54.93 2.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.129 0.49 . . . . 10.0 110.952 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 56.2 mt -75.46 -52.51 10.54 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.845 -0.616 . . . . 10.0 112.144 -178.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 519' ' ' ALA . . . . . . . . . . . . . . . -52.75 -55.88 28.58 Favored Pre-proline 0 N--CA 1.468 0.428 0 N-CA-C 113.025 0.75 . . . . 10.0 113.025 -178.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 520' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_exo -60.73 -41.33 47.41 Favored 'Trans proline' 0 C--N 1.354 0.85 0 C-N-CA 121.793 1.662 . . . . 10.0 111.388 179.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -65.65 -31.47 72.51 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.811 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 74.7 m -63.47 -35.48 80.58 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.657 -0.497 . . . . 10.0 109.657 178.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -67.1 -39.84 86.78 Favored 'General case' 0 C--O 1.231 0.092 0 N-CA-C 109.03 -0.73 . . . . 10.0 109.03 178.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.43 -39.32 88.87 Favored 'General case' 0 C--O 1.232 0.181 0 N-CA-C 108.96 -0.756 . . . . 10.0 108.96 177.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 62.7 mt -64.59 -34.38 78.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.475 -0.784 . . . . 10.0 109.984 178.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 526' ' ' ARG . . . . . . . . . . . . . 91.6 mtt180 -62.59 -43.2 99.39 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 108.97 -0.752 . . . . 10.0 108.97 178.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -63.2 -41.7 99.21 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.455 -0.793 . . . . 10.0 109.91 179.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 528' ' ' ARG . . . . . . . . . . . . . 47.9 mtt180 -67.54 -40.2 85.01 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.771 -0.65 . . . . 10.0 109.782 179.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 20.3 mt -64.33 -39.43 93.89 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.65 -0.5 . . . . 10.0 109.65 178.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -61.87 -40.14 94.36 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.138 179.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -74.42 -41.06 61.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.238 179.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 10.8 ttm180 -63.57 -51.0 67.26 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.325 -0.62 . . . . 10.0 109.325 179.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 71.0 mt -64.41 -28.54 69.75 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.057 -0.52 . . . . 10.0 110.21 179.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -62.95 -47.72 81.97 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 108.889 -0.782 . . . . 10.0 108.889 178.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -64.21 -37.6 88.05 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 109.207 -0.664 . . . . 10.0 109.207 179.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 85.4 mt -69.66 -24.41 63.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.803 -0.635 . . . . 10.0 111.26 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 38.6 mtmt -86.84 -39.96 15.36 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.029 0.443 . . . . 10.0 110.015 178.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -67.21 -56.99 7.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.778 -0.646 . . . . 10.0 109.376 178.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -71.57 -23.48 61.75 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.699 -0.682 . . . . 10.0 109.612 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -71.49 -43.61 52.89 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 110.021 -1.232 . . . . 10.0 110.021 178.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -64.18 -38.58 96.13 Favored Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 109.771 -1.332 . . . . 10.0 109.771 178.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -62.2 -48.26 80.79 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 108.225 -1.028 . . . . 10.0 108.225 177.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 28.3 mtt85 -59.68 -32.7 70.73 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.775 -0.648 . . . . 10.0 111.054 179.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 81.5 mt -64.0 -47.61 79.64 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.159 -0.682 . . . . 10.0 109.159 178.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -65.56 -42.59 91.68 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 115.898 -0.592 . . . . 10.0 109.638 178.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -61.77 -51.69 67.29 Favored 'General case' 0 C--O 1.22 -0.461 0 CA-C-N 115.78 -0.645 . . . . 10.0 110.361 179.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -59.28 -39.1 81.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.36 -0.382 . . . . 10.0 110.753 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 3.5 m170 -67.85 -44.68 76.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.889 0.376 . . . . 10.0 110.3 179.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -66.28 -39.64 89.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.869 -0.605 . . . . 10.0 110.281 179.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.66 -30.81 67.51 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.044 179.009 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -71.85 -43.93 64.69 Favored 'General case' 0 C--O 1.236 0.368 0 O-C-N 123.281 0.363 . . . . 10.0 110.233 179.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.03 -49.63 73.84 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 109.215 -0.661 . . . . 10.0 109.215 178.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -60.72 -38.47 85.18 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.694 -0.685 . . . . 10.0 110.116 178.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 41.4 t60 -62.37 -42.2 99.22 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.014 -0.539 . . . . 10.0 109.597 178.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 36.0 tp -64.12 -33.81 76.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.922 -0.581 . . . . 10.0 109.86 179.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 9.7 m -62.18 -48.94 77.81 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 109.323 -0.621 . . . . 10.0 109.323 178.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -67.94 -36.27 79.82 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.967 -0.56 . . . . 10.0 110.546 179.358 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 25.7 mt -62.26 -55.38 28.97 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.669 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 12.3 p -65.34 -33.65 76.47 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 120.663 0.268 . . . . 10.0 111.427 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -58.88 -36.18 74.21 Favored 'General case' 0 N--CA 1.46 0.07 0 CA-C-N 115.868 -0.605 . . . . 10.0 110.86 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 10.4 mptt -99.5 -32.35 11.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.099 -0.5 . . . . 10.0 112.317 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -58.64 -48.2 81.85 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.483 0.549 . . . . 10.0 112.483 -179.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -55.81 -59.9 10.21 Favored Pre-proline 0 CA--C 1.534 0.363 0 N-CA-C 112.407 0.521 . . . . 10.0 112.407 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -64.34 -33.92 56.98 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 122.042 1.828 . . . . 10.0 112.326 179.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -65.41 -49.05 70.69 Favored 'General case' 0 CA--C 1.52 -0.178 0 N-CA-C 110.441 -0.207 . . . . 10.0 110.441 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 37.8 mt -62.63 -40.33 96.67 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.759 -0.46 . . . . 10.0 109.759 179.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -63.84 -49.72 71.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.035 178.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.87 -38.66 89.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.657 179.294 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 21.8 mt -65.89 -46.13 79.46 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 116.176 -0.466 . . . . 10.0 110.124 178.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 68.0 mtt180 -63.26 -46.24 87.79 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 110.294 -0.261 . . . . 10.0 110.294 179.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -67.68 -19.85 65.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 10.0 111.389 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -89.96 -40.9 5.75 Favored Glycine 0 N--CA 1.446 -0.654 0 N-CA-C 110.492 -1.043 . . . . 10.0 110.492 178.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 79.1 mt -68.86 -35.22 76.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.691 -0.255 . . . . 10.0 111.621 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 67.7 mt -50.71 -63.47 1.86 Allowed Pre-proline 0 CA--C 1.536 0.417 0 N-CA-C 111.885 0.328 . . . . 10.0 111.885 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -71.56 -35.51 7.89 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 121.8 1.667 . . . . 10.0 112.46 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.16 -39.94 87.13 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.133 0 C-N-CA 120.95 -0.3 . . . . 10.0 111.535 -179.455 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 34.3 mt -70.21 -33.09 71.27 Favored 'General case' 0 CA--C 1.516 -0.336 0 N-CA-C 109.705 -0.48 . . . . 10.0 109.705 178.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -65.72 -44.51 85.82 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.983 -0.747 . . . . 10.0 108.983 178.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 15.5 m -65.43 -39.39 92.04 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 115.511 -0.768 . . . . 10.0 108.974 178.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -62.27 -39.9 94.45 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.073 -0.512 . . . . 10.0 109.861 178.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -59.26 -40.23 85.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.934 -0.576 . . . . 10.0 109.841 178.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 65.0 t -62.77 -46.58 95.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.376 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.06 -37.6 86.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.362 -0.381 . . . . 10.0 111.078 179.492 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -68.06 -41.46 81.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.292 -0.413 . . . . 10.0 110.637 179.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 36.8 mt -62.14 -53.66 52.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.819 179.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 3.8 p -58.68 -36.06 73.61 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.009 0.433 . . . . 10.0 110.598 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -66.8 -51.87 50.64 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 116.171 -0.468 . . . . 10.0 110.525 179.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 84.8 mt -61.02 -41.46 96.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.421 -0.354 . . . . 10.0 111.061 -179.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -60.62 -48.46 81.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 10.0 111.301 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -73.48 -31.46 63.76 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.704 0.261 . . . . 10.0 111.704 -179.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -61.02 -41.7 97.06 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.29 -0.414 . . . . 10.0 111.057 179.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.93 -32.73 72.56 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 121.039 -0.264 . . . . 10.0 111.179 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -72.69 -41.86 64.87 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.964 0.411 . . . . 10.0 110.422 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -72.37 -20.09 61.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.877 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 97.4 mt -108.98 31.39 5.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.959 -0.564 . . . . 10.0 109.962 179.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 . . . . . 0 C--N 1.326 -0.426 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.837 179.506 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.911 0.386 . . . . 10.0 110.634 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.14 130.34 41.23 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.79 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -97.61 134.41 40.86 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.306 -0.406 . . . . 10.0 111.157 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -128.31 118.55 23.44 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.019 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -88.64 115.72 26.37 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.134 0.493 . . . . 10.0 110.243 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 14.4 mt -112.25 135.14 53.29 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.632 -0.713 . . . . 10.0 110.624 -178.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 57.2 t -118.74 125.14 74.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.282 179.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 6.5 t -92.99 119.4 40.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 109.52 -0.548 . . . . 10.0 109.52 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 11.7 m -121.43 154.09 25.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.442 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 153.53 174.72 24.09 Favored Glycine 0 N--CA 1.445 -0.763 0 N-CA-C 111.081 -0.808 . . . . 10.0 111.081 -179.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.44 -172.68 1.22 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.254 0.55 . . . . 10.0 111.766 -179.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -90.89 144.25 25.88 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.682 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 76.18 8.1 85.04 Favored Glycine 0 C--N 1.322 -0.244 0 C-N-CA 120.974 -0.631 . . . . 10.0 113.947 178.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 26.8 m -79.85 -29.75 13.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 117.069 0.435 . . . . 10.0 111.864 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 111.13 26.91 4.44 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.608 -0.806 . . . . 10.0 113.578 179.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 27.1 mtmm -62.96 -47.66 82.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.36 0.6 . . . . 10.0 110.771 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 3.5 m -73.59 -35.34 65.4 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.522 -0.763 . . . . 10.0 111.081 -178.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.82 -45.54 93.39 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.398 179.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 68.8 mt -61.94 -44.71 96.2 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 120.977 0.418 . . . . 10.0 110.879 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 16.8 m -64.84 -49.41 70.7 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.704 -0.68 . . . . 10.0 112.17 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 62.0 mt -58.17 -38.11 66.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-O 120.925 0.393 . . . . 10.0 111.321 -179.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -62.62 -31.2 72.01 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.763 0.653 . . . . 10.0 112.763 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 38.3 tp -92.17 -32.45 15.1 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.081 0.467 . . . . 10.0 111.611 -179.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 49.9 mm -81.2 -66.66 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.896 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -85.17 -21.18 29.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.309 -0.405 . . . . 10.0 111.863 -177.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 67.0 70.44 0.38 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 113.708 1.003 . . . . 10.0 113.708 178.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 4.9 p80 -177.42 155.0 1.05 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.768 178.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -97.29 130.0 44.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.053 0.454 . . . . 10.0 111.345 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 3.3 m -99.93 119.54 48.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.667 -0.697 . . . . 10.0 110.325 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -90.08 -26.02 20.47 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.446 0.641 . . . . 10.0 109.391 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.29 130.9 43.89 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.368 -0.833 . . . . 10.0 110.448 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -88.07 108.58 19.31 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.944 0.402 . . . . 10.0 110.486 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -122.22 107.96 34.5 Favored Pre-proline 0 C--N 1.319 -0.756 0 CA-C-N 115.816 -0.629 . . . . 10.0 110.071 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo -68.24 86.03 0.42 Allowed 'Trans proline' 0 C--O 1.233 0.253 0 C-N-CA 122.742 2.295 . . . . 10.0 110.902 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' THR . . . . . 0.411 ' OG1' ' O3G' ' B' ' 201' ' ' GSP . 10.7 p -68.9 134.6 49.82 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.16 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 50.5 mm -78.61 -57.49 5.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 O-C-N 123.435 0.46 . . . . 10.0 110.334 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -156.51 101.38 2.01 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.062 -0.718 . . . . 10.0 109.062 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.84 122.65 48.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.657 -0.247 . . . . 10.0 111.219 -178.524 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 14.7 p -105.15 144.6 31.71 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.725 0.298 . . . . 10.0 110.851 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -137.65 140.44 40.85 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.461 -0.336 . . . . 10.0 110.267 -179.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -123.73 125.24 44.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.766 0.317 . . . . 10.0 110.565 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 64.4 tttt -145.88 142.46 28.8 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.466 -0.334 . . . . 10.0 110.822 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -105.56 116.19 31.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.374 -0.375 . . . . 10.0 110.664 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 11.8 m -127.47 167.22 22.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.07 -0.514 . . . . 10.0 110.728 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 42.4 t -104.87 106.07 19.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 109.858 -0.423 . . . . 10.0 109.858 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 56.7 mt -112.64 122.82 67.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.717 -179.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . 0.451 ' CB ' HH11 ' B' ' 164' ' ' ARG . 27.4 m-20 63.16 22.53 13.44 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.59 -0.732 . . . . 10.0 111.359 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.2 8.39 68.73 Favored Glycine 0 CA--C 1.52 0.347 0 C-N-CA 120.968 -0.634 . . . . 10.0 112.599 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -119.21 130.82 55.68 Favored 'General case' 0 C--N 1.322 -0.595 0 O-C-N 122.839 -0.213 . . . . 10.0 110.686 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 30.0 m -75.4 117.74 17.52 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.649 -0.871 . . . . 10.0 108.649 178.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 6.7 m -119.86 144.54 47.32 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.234 0.54 . . . . 10.0 112.456 -178.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 58.8 tp -99.42 108.2 20.62 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 107.572 -1.27 . . . . 10.0 107.572 177.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 36.8 mt -86.72 121.31 29.04 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 113.013 0.746 . . . . 10.0 113.013 -178.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -105.34 89.91 3.26 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 107.277 -1.379 . . . . 10.0 107.277 177.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 13.8 mt -92.37 142.62 12.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 112.159 0.429 . . . . 10.0 112.159 -177.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 35.3 tp -133.59 106.84 7.63 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.079 -0.509 . . . . 10.0 110.678 179.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -86.44 106.04 17.18 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.519 -0.548 . . . . 10.0 109.519 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 70.5 p -84.21 174.43 10.21 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.074 -0.512 . . . . 10.0 111.377 -178.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -97.38 134.72 40.27 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.052 0.454 . . . . 10.0 110.463 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -100.34 28.9 13.63 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.489 -0.862 . . . . 10.0 112.829 -179.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -89.12 1.65 55.29 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.424 0.154 . . . . 10.0 111.16 -179.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 68.28 -172.73 0.19 Allowed 'General case' 0 N--CA 1.466 0.351 0 O-C-N 123.818 0.699 . . . . 10.0 111.131 179.682 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 70.64 23.63 4.6 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 122.961 0.505 . . . . 10.0 111.237 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -115.56 31.9 6.41 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.667 -0.697 . . . . 10.0 111.075 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 31.6 m -54.81 -33.82 61.98 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 112.997 0.74 . . . . 10.0 112.997 -179.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.46 -48.07 8.74 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 121.077 -0.249 . . . . 10.0 111.602 -179.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 11.4 mtp -65.71 -28.66 69.22 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 112.811 0.671 . . . . 10.0 112.811 -178.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 5.9 ttp180 -60.93 -33.25 72.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.066 0.46 . . . . 10.0 111.004 -179.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -64.12 -26.99 68.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.309 -0.86 . . . . 10.0 111.763 -179.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -70.49 -65.5 0.72 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.753 0.649 . . . . 10.0 112.753 -179.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 20.3 p90 -66.99 -19.5 65.73 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 113.749 1.018 . . . . 10.0 113.749 -178.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 25.0 mtt -66.51 -29.66 69.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.352 0.596 . . . . 10.0 110.911 179.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 16.8 mtm180 -87.1 -32.6 19.84 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.939 0.4 . . . . 10.0 110.975 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 1.5 m -71.79 -44.51 63.86 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.893 -0.594 . . . . 10.0 112.018 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -75.73 151.84 41.74 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.715 -0.755 . . . . 10.0 113.181 -178.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -105.31 -53.33 2.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.407 0.622 . . . . 10.0 109.583 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -98.0 125.12 8.41 Favored Glycine 0 N--CA 1.447 -0.632 0 CA-C-N 115.584 -0.735 . . . . 10.0 111.866 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -109.13 114.38 28.05 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.185 0.517 . . . . 10.0 111.308 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 17.8 tp -92.31 106.9 18.81 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.538 -0.755 . . . . 10.0 109.656 179.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 52.5 m -85.33 98.46 10.55 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.454 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 39.7 t -99.26 123.28 51.85 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.158 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -126.82 160.69 30.16 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.807 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -94.71 124.04 38.51 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.816 -0.629 . . . . 10.0 109.526 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 19.6 pt -66.25 -16.43 20.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.712 0.291 . . . . 10.0 111.688 -179.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 18.2 p-10 -101.08 4.93 42.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.177 0.513 . . . . 10.0 110.764 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -134.54 91.73 2.82 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.959 -0.564 . . . . 10.0 109.88 179.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -57.69 -30.05 65.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.833 -0.621 . . . . 10.0 111.913 -178.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 24.0 tptp -58.93 -43.63 91.2 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.469 -0.332 . . . . 10.0 111.055 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 90.1 p -66.59 -23.4 66.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.085 0.469 . . . . 10.0 110.743 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -79.64 -37.04 36.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.834 -0.621 . . . . 10.0 109.467 178.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -70.6 -35.15 72.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.799 -0.637 . . . . 10.0 109.656 179.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -65.33 -19.51 65.99 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.684 -0.689 . . . . 10.0 111.19 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 33.3 mm -60.27 -37.33 73.39 Favored 'Isoleucine or valine' 0 C--O 1.236 0.373 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.119 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 79.9 t60 -67.65 -43.17 80.91 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 109.609 -0.515 . . . . 10.0 109.609 178.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -59.93 -45.05 93.84 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.54 -0.754 . . . . 10.0 109.888 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -57.6 -50.78 72.01 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.76 -0.655 . . . . 10.0 110.529 179.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 55.7 ttt-85 -59.34 -43.21 92.79 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.96 -0.564 . . . . 10.0 111.553 -179.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -60.0 -34.87 73.92 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.012 0.375 . . . . 10.0 112.012 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -77.94 -40.78 38.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.556 0.217 . . . . 10.0 110.969 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 96.6 mt -55.2 -45.68 77.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 CA-C-O 121.098 0.475 . . . . 10.0 110.759 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 38.0 mtmt -63.58 -26.65 68.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.746 -0.661 . . . . 10.0 112.192 -179.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 27.8 ttm180 -81.86 -43.16 18.6 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.045 0.45 . . . . 10.0 110.62 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 60.8 t -67.57 -41.69 86.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.005 -0.543 . . . . 10.0 111.791 -179.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -92.0 -6.82 50.47 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.741 0.305 . . . . 10.0 111.31 -179.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 27.0 t0 51.65 60.67 3.68 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.752 -0.658 . . . . 10.0 111.581 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 5.9 t -178.48 145.19 0.32 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.465 -0.789 . . . . 10.0 109.626 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -89.79 -21.47 22.61 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.337 -0.616 . . . . 10.0 109.337 179.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.32 88.81 7.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.615 -0.721 . . . . 10.0 110.697 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 65.3 t -132.23 128.81 21.42 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 115.96 -0.564 . . . . 10.0 109.725 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -56.8 104.87 0.15 Allowed 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.861 2.374 . . . . 10.0 111.786 179.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 59.4 mtm -135.09 149.3 50.04 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.768 -179.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 88.4 t -136.63 135.14 49.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 109.088 -0.708 . . . . 10.0 109.088 179.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 24.8 tp -95.0 123.92 38.75 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.574 -0.528 . . . . 10.0 109.574 179.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 37.3 t -133.46 131.84 57.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.896 0.379 . . . . 10.0 111.887 -178.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -104.25 136.5 13.06 Favored Glycine 0 N--CA 1.449 -0.464 0 N-CA-C 110.038 -1.225 . . . . 10.0 110.038 178.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -108.22 159.93 16.23 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 117.093 0.447 . . . . 10.0 111.458 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 72.4 mttt 64.75 33.63 10.18 Favored 'General case' 0 N--CA 1.466 0.373 0 O-C-N 123.726 0.641 . . . . 10.0 111.379 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 74.4 m -67.56 -11.95 59.24 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.713 0.634 . . . . 10.0 112.713 -179.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -86.93 -11.2 51.33 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.765 0.317 . . . . 10.0 110.464 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 81.6 mt -88.51 137.18 30.65 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.006 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_endo -77.04 173.42 14.47 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 122.92 2.413 . . . . 10.0 113.26 -178.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 46.7 m 66.02 52.68 1.17 Allowed 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.369 -0.832 . . . . 10.0 112.522 179.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 13.9 ptp180 -84.4 142.47 30.11 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.434 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 5.8 p -90.97 -47.11 7.77 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 110.213 -0.292 . . . . 10.0 110.213 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 47.8 t -80.83 110.04 15.89 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 N-CA-C 109.456 -0.572 . . . . 10.0 109.456 179.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -69.51 144.83 53.06 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.828 -0.623 . . . . 10.0 110.199 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.78 -38.48 64.51 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.883 -0.598 . . . . 10.0 112.026 -179.71 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -63.58 -51.8 63.78 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 112.57 0.581 . . . . 10.0 112.57 -178.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -64.09 -34.75 78.74 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.798 0.295 . . . . 10.0 111.798 -179.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.24 -39.2 86.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.206 0.527 . . . . 10.0 109.887 179.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -72.24 -37.77 69.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.78 -0.645 . . . . 10.0 110.825 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -62.72 -43.56 98.48 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.248 -0.433 . . . . 10.0 111.179 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 27.7 tp -61.82 -40.2 94.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.143 0.497 . . . . 10.0 110.206 179.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -67.39 -36.44 81.31 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.726 -0.67 . . . . 10.0 109.745 179.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -63.72 -38.81 92.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.624 -0.716 . . . . 10.0 109.678 178.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 22.0 t -61.96 -35.25 77.88 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.434 -0.803 . . . . 10.0 111.534 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -92.04 -16.2 26.79 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.293 0.479 . . . . 10.0 112.293 -179.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 84.27 32.1 23.68 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.641 -0.79 . . . . 10.0 112.346 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 23.0 pt -118.33 153.47 51.71 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-O 120.684 0.278 . . . . 10.0 110.815 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_endo -79.09 151.32 23.65 Favored 'Trans proline' 0 N--CA 1.463 -0.32 0 C-N-CA 122.414 2.076 . . . . 10.0 111.83 179.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -123.58 130.5 52.76 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.101 179.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 26.1 mt -130.33 132.4 64.93 Favored 'Isoleucine or valine' 0 C--O 1.237 0.416 0 CA-C-N 116.206 -0.452 . . . . 10.0 111.261 -179.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -89.35 125.9 35.32 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.943 -0.762 . . . . 10.0 108.943 178.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 60.6 p -132.07 -180.0 5.75 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.798 0.809 . . . . 10.0 112.449 -178.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 8.7 t -162.66 122.41 2.31 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 114.897 -1.047 . . . . 10.0 108.317 179.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 146' ' ' ALA . . . . . 0.451 ' N ' ' O6 ' ' B' ' 201' ' ' GSP . . . -74.3 -28.39 61.16 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.946 -0.761 . . . . 10.0 108.946 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -62.0 -46.23 90.13 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.895 -1.048 . . . . 10.0 111.116 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 4.6 p -98.96 -11.06 21.93 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 112.146 0.424 . . . . 10.0 112.146 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.99 17.48 10.12 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.445 0.698 . . . . 10.0 112.564 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -87.63 137.87 31.96 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.086 -0.506 . . . . 10.0 111.32 -179.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 84.05 -14.88 41.46 Favored Glycine 0 C--N 1.332 0.313 0 CA-C-N 116.006 -0.543 . . . . 10.0 113.659 178.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 20.1 t -63.38 -37.72 80.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.661 0.267 . . . . 10.0 111.575 -178.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -61.26 -48.8 79.76 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 121.113 0.482 . . . . 10.0 110.074 179.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -63.52 -40.11 96.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.599 -0.728 . . . . 10.0 110.915 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -56.92 -50.54 72.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.373 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -69.89 -40.6 75.57 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.086 -0.506 . . . . 10.0 111.975 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 4.5 m-30 -64.89 -44.79 88.46 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.91 0.386 . . . . 10.0 110.716 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 58.7 m -65.42 -31.71 72.95 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.076 -0.511 . . . . 10.0 111.301 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 29.9 tp -61.59 -40.88 96.37 Favored 'General case' 0 C--N 1.334 -0.094 0 N-CA-C 109.548 -0.538 . . . . 10.0 109.548 178.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 79.8 t -74.14 -34.98 39.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.607 -0.724 . . . . 10.0 109.269 178.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -59.74 -42.24 92.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.435 -0.802 . . . . 10.0 110.287 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -67.97 -34.68 77.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.781 179.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 78.9 mt -62.06 -46.63 96.04 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 N-CA-C 109.145 -0.687 . . . . 10.0 109.145 178.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 164' ' ' ARG . . . . . 0.451 HH11 ' CB ' ' B' ' 47' ' ' ASP . 43.9 mtt180 -62.11 -42.67 99.46 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 115.546 -0.752 . . . . 10.0 109.037 178.533 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -55.27 -49.89 70.92 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.425 -0.807 . . . . 10.0 110.131 178.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 21.5 t-80 -58.49 -50.43 73.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.367 -0.379 . . . . 10.0 110.899 179.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -63.22 -35.74 81.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.374 -0.376 . . . . 10.0 111.828 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -71.56 -43.28 66.65 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 109.121 -0.696 . . . . 10.0 109.121 178.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.05 -35.73 79.48 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.543 -0.753 . . . . 10.0 109.678 178.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 79.0 mmm -67.42 -23.85 65.59 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.889 -0.596 . . . . 10.0 111.394 179.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 8.9 m -72.61 -27.92 62.45 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.104 -0.702 . . . . 10.0 109.104 179.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 44.2 mtpt -89.2 -30.97 18.15 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.291 -0.868 . . . . 10.0 109.21 179.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 173' ' ' ASP . . . . . . . . . . . . . 21.8 t70 67.4 -76.73 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.26 0 O-C-N 124.298 0.999 . . . . 10.0 112.271 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . 159.36 75.56 0.02 OUTLIER Glycine 0 N--CA 1.443 -0.891 0 N-CA-C 111.46 -0.656 . . . . 10.0 111.46 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 175' ' ' LYS . . . . . . . . . . . . . 32.1 mtmt -65.31 153.78 40.14 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.231 -0.285 . . . . 10.0 110.231 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 176' ' ' LYS . . . . . . . . . . . . . 4.6 mmpp? -86.06 -26.67 25.2 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 112.735 0.642 . . . . 10.0 112.735 -177.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 177' ' ' LYS . . . . . . . . . . . . . 38.3 tttm -76.1 104.55 6.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.21 0.529 . . . . 10.0 111.559 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 52.3 pttt -132.54 18.31 4.33 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.564 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 179' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -93.02 130.96 38.43 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.844 -0.617 . . . . 10.0 110.793 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -65.96 120.65 13.49 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 109.316 -0.624 . . . . 10.0 109.316 179.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -124.56 99.63 6.27 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.05 0.453 . . . . 10.0 111.083 -179.101 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -134.93 162.63 31.89 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.308 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -90.13 87.17 6.77 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.232 -0.44 . . . . 10.0 110.569 179.671 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 184' ' ' LYS . . . . . . . . . . . . . 32.8 mmtm . . . . . 0 C--N 1.321 -0.648 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.663 179.92 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 CA--C 1.528 0.131 0 CA-C-O 121.256 0.551 . . . . 10.0 110.65 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.02 114.43 27.73 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.9 -0.591 . . . . 10.0 109.851 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -82.37 143.21 31.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.409 -0.36 . . . . 10.0 111.331 -179.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -138.57 119.21 14.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.087 -0.506 . . . . 10.0 109.687 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 52.4 mttm -82.47 113.15 20.02 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.037 0.446 . . . . 10.0 111.473 -179.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 14.2 mt -111.51 120.85 43.5 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.758 -0.655 . . . . 10.0 110.314 -179.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 59.9 t -106.82 126.61 62.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.481 -0.327 . . . . 10.0 110.828 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 3.4 t -89.95 121.92 40.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.191 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 28.9 m -125.37 153.56 33.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.642 0.258 . . . . 10.0 110.812 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 159.86 -175.64 36.67 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.769 -0.729 . . . . 10.0 111.886 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -89.34 -167.04 1.75 Allowed 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 110.491 -0.188 . . . . 10.0 110.491 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.38 141.28 28.63 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.886 0.374 . . . . 10.0 111.502 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 79.96 1.9 88.01 Favored Glycine 0 N--CA 1.452 -0.276 0 CA-C-N 115.961 -0.563 . . . . 10.0 113.85 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 34.5 m -73.46 -32.44 36.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 N-CA-C 112.273 0.472 . . . . 10.0 112.273 -179.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 110.78 36.26 1.9 Allowed Glycine 0 C--N 1.333 0.396 0 C-N-CA 120.645 -0.788 . . . . 10.0 113.696 179.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 9.4 mtmm -64.49 -47.74 77.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.199 0.523 . . . . 10.0 109.93 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 1.6 m -66.99 -45.35 77.86 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.621 -0.718 . . . . 10.0 110.76 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.36 -54.87 30.43 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 112.463 0.542 . . . . 10.0 112.463 -179.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 46.6 mt -58.62 -38.82 78.85 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.099 0.476 . . . . 10.0 111.878 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 13.3 m -71.56 -44.71 64.05 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.071 -0.513 . . . . 10.0 111.399 -179.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.02 -34.36 66.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.908 0.385 . . . . 10.0 111.012 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -61.78 -32.93 73.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.646 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 4.0 tp -86.07 -24.57 26.27 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.195 0.522 . . . . 10.0 111.134 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 49.9 mm -91.87 -66.75 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 112.395 0.517 . . . . 10.0 112.395 -178.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -86.33 -10.83 53.68 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 112.433 0.531 . . . . 10.0 112.433 -178.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 64.26 44.3 4.43 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 113.881 1.067 . . . . 10.0 113.881 178.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -154.63 154.26 32.69 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.361 0.504 . . . . 10.0 112.361 179.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -87.88 138.56 31.35 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.856 -0.611 . . . . 10.0 110.53 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 19.2 m -89.8 155.77 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.989 0.423 . . . . 10.0 111.026 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -128.94 7.5 5.57 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.411 0.624 . . . . 10.0 109.724 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -129.63 141.96 50.83 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.456 -0.793 . . . . 10.0 109.15 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -67.56 128.77 37.68 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.824 -0.35 . . . . 10.0 110.455 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -112.97 95.0 32.41 Favored Pre-proline 0 C--O 1.237 0.44 0 CA-C-N 116.333 -0.394 . . . . 10.0 111.799 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_endo -79.37 78.04 3.86 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.696 2.264 . . . . 10.0 111.258 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.47 116.7 25.76 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.752 -0.658 . . . . 10.0 111.417 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 50.7 mm -68.3 -44.84 83.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.17 -0.678 . . . . 10.0 109.17 179.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -164.84 104.06 0.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.628 -0.715 . . . . 10.0 110.421 178.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -109.58 157.83 18.64 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.646 -0.706 . . . . 10.0 109.883 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -138.71 131.82 29.82 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.982 0.42 . . . . 10.0 111.749 -179.188 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -132.3 141.44 48.97 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.169 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.59 125.68 40.71 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.347 -0.388 . . . . 10.0 110.298 179.381 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 50.5 tttt -144.6 131.16 19.92 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.229 -0.441 . . . . 10.0 110.541 -179.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -100.01 110.35 22.66 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.9 0.381 . . . . 10.0 110.747 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 14.6 m -126.69 160.73 34.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.721 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 45.2 t -91.06 114.36 28.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.504 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 55.7 mt -122.23 121.61 64.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.968 -0.56 . . . . 10.0 109.719 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 61.58 26.03 15.82 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.766 -0.652 . . . . 10.0 111.674 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.21 -5.46 84.23 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.999 -0.62 . . . . 10.0 111.954 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -103.58 138.58 40.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.796 0.331 . . . . 10.0 110.669 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.43 105.81 15.54 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.388 -0.968 . . . . 10.0 108.388 178.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 3.8 m -110.34 143.98 39.76 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.841 0.682 . . . . 10.0 112.841 -177.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 51.7 tp -103.41 110.35 22.33 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.064 -1.088 . . . . 10.0 108.064 178.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 21.5 mt -78.46 111.14 14.18 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 112.489 0.551 . . . . 10.0 112.489 -178.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -96.56 80.0 3.08 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.084 -1.45 . . . . 10.0 107.084 177.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 7.3 mt -84.16 131.89 32.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.73 -0.668 . . . . 10.0 112.225 -176.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 24.8 tp -124.49 103.24 8.06 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.092 -0.504 . . . . 10.0 110.348 178.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -86.4 103.72 15.22 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.001 -0.545 . . . . 10.0 109.753 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 68.0 p -87.88 178.57 6.66 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.038 -0.528 . . . . 10.0 111.729 -178.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -78.3 170.89 15.89 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.75 -0.659 . . . . 10.0 110.546 178.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -136.95 18.09 3.58 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.283 -0.961 . . . . 10.0 112.809 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -98.81 9.39 43.53 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.766 0.317 . . . . 10.0 111.34 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 58.56 -157.05 0.32 Allowed 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.609 -0.723 . . . . 10.0 112.224 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 65.29 23.59 12.15 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 121.288 0.566 . . . . 10.0 110.789 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -132.3 41.6 3.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.486 -0.779 . . . . 10.0 111.054 -179.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 1.1 m -55.71 -47.53 76.7 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.295 -0.411 . . . . 10.0 111.997 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -74.98 -26.19 59.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.829 0.347 . . . . 10.0 111.786 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 24.6 ttt -75.89 -45.91 32.92 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.25 0.548 . . . . 10.0 110.119 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 68' ' ' ARG . . . . . . . . . . . . . 26.0 ttp-105 -65.17 -29.5 70.33 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.323 -0.853 . . . . 10.0 109.99 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.29 -14.23 47.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 114.993 -1.003 . . . . 10.0 111.24 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -85.45 -65.08 1.05 Allowed 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.321 0.489 . . . . 10.0 112.321 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 71' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -63.75 -15.93 59.85 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 113.67 0.989 . . . . 10.0 113.67 -178.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 25.3 mtt -65.99 -28.4 68.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.236 0.541 . . . . 10.0 110.002 178.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 21.6 mtm180 -81.25 -35.28 31.37 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.905 -0.589 . . . . 10.0 109.969 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 1.5 m -74.07 -47.5 36.17 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.09 -0.504 . . . . 10.0 110.889 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.81 137.61 48.43 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.741 -0.663 . . . . 10.0 113.843 -179.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -99.2 -42.0 7.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.263 0.554 . . . . 10.0 109.876 179.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -116.16 137.27 13.55 Favored Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 111.013 -0.835 . . . . 10.0 111.013 179.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 78' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -117.11 128.42 55.11 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.886 0.374 . . . . 10.0 111.583 -179.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 12.3 tp -97.73 104.96 17.03 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.135 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 70.2 m -81.56 85.5 6.51 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.262 0.553 . . . . 10.0 110.944 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 44.8 t -93.65 130.57 42.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.748 -0.66 . . . . 10.0 110.614 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -138.68 169.08 18.43 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.391 -0.596 . . . . 10.0 109.391 178.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -105.87 126.74 52.53 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.794 -0.447 . . . . 10.0 109.794 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 84' ' ' ILE . . . . . . . . . . . . . 20.6 pt -65.68 -14.95 17.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.895 0.379 . . . . 10.0 111.648 -179.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 28.1 p-10 -105.04 12.51 32.13 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.197 0.522 . . . . 10.0 110.369 179.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -134.02 95.52 3.45 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.055 179.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.96 -30.02 68.81 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.026 -0.534 . . . . 10.0 112.375 -179.087 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -62.51 -44.58 96.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.154 -0.476 . . . . 10.0 110.964 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 85.0 p -64.7 -27.93 69.25 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.675 0.25 . . . . 10.0 111.675 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -70.08 -37.55 75.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.971 0.415 . . . . 10.0 110.055 179.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -72.83 -30.36 63.97 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.563 -0.532 . . . . 10.0 109.563 178.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -64.56 -24.6 67.65 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.395 -0.82 . . . . 10.0 111.111 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 47.2 mm -54.26 -45.01 67.44 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-O 120.994 0.426 . . . . 10.0 110.976 179.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -70.17 -40.84 74.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.959 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -58.22 -46.67 85.48 Favored 'General case' 0 C--O 1.236 0.35 0 O-C-N 123.509 0.506 . . . . 10.0 110.793 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -65.92 -47.93 73.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.978 -0.555 . . . . 10.0 111.312 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 28.5 ttt180 -56.43 -42.29 77.81 Favored 'General case' 0 N--CA 1.462 0.16 0 O-C-N 123.434 0.459 . . . . 10.0 110.883 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -59.91 -44.12 94.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.665 -0.698 . . . . 10.0 111.556 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -67.05 -44.19 80.8 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.918 -0.313 . . . . 10.0 110.436 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 68.8 mt -56.4 -47.08 82.03 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 CA-C-O 121.138 0.494 . . . . 10.0 110.759 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 38.5 mtmt -60.32 -37.58 81.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.545 -0.752 . . . . 10.0 111.843 -179.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 13.8 ttm180 -74.47 -45.72 44.35 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.229 -0.441 . . . . 10.0 110.839 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 55.7 t -60.97 -50.57 80.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.9 -0.591 . . . . 10.0 112.398 -179.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -84.14 -10.69 57.57 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 121.128 -0.229 . . . . 10.0 111.504 -179.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 32.0 t70 54.69 56.3 6.91 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.513 0.673 . . . . 10.0 111.036 -179.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 38.8 t -153.68 139.3 17.86 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.2 -0.909 . . . . 10.0 110.009 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -81.19 -39.68 25.07 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.442 -0.577 . . . . 10.0 109.442 179.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -91.29 109.74 21.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.736 -0.666 . . . . 10.0 110.611 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 62.1 t -129.67 131.18 23.39 Favored Pre-proline 0 C--N 1.323 -0.556 0 N-CA-C 109.777 -0.453 . . . . 10.0 109.777 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -65.59 99.38 0.37 Allowed 'Trans proline' 0 C--O 1.236 0.397 0 C-N-CA 122.399 2.066 . . . . 10.0 111.407 179.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 111' ' ' MET . . . . . . . . . . . . . 36.5 mtm -133.41 154.69 50.55 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.574 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 89.7 t -131.9 132.87 61.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.87 -0.605 . . . . 10.0 109.73 179.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 14.6 tp -87.81 117.5 26.69 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.578 -0.527 . . . . 10.0 109.578 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 54.4 t -117.08 120.28 64.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 112.075 0.398 . . . . 10.0 112.075 -178.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -100.07 111.35 4.16 Favored Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 110.097 -1.201 . . . . 10.0 110.097 178.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -93.54 160.83 14.61 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 117.149 0.475 . . . . 10.0 112.029 -178.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 87.8 mttt 62.28 39.4 12.48 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.559 -0.746 . . . . 10.0 112.369 178.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 118' ' ' CYS . . . . . . . . . . . . . 97.0 m -70.26 -13.74 62.3 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.725 0.639 . . . . 10.0 112.725 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -88.76 -0.04 56.94 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.089 0.403 . . . . 10.0 112.089 -179.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 35.9 mt -84.96 134.87 40.51 Favored Pre-proline 0 C--N 1.331 -0.206 0 CA-C-N 116.5 -0.318 . . . . 10.0 110.54 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -70.11 150.29 65.89 Favored 'Trans proline' 0 C--O 1.233 0.273 0 C-N-CA 122.581 2.187 . . . . 10.0 112.392 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 15.1 m 62.18 75.81 0.39 Allowed 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.78 -0.645 . . . . 10.0 112.418 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 14.2 ptp180 -89.6 153.29 20.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.839 -0.619 . . . . 10.0 110.321 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.32 -25.22 14.31 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.889 0.376 . . . . 10.0 111.323 179.763 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 61.4 t -105.55 114.61 45.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.395 -0.366 . . . . 10.0 111.033 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -75.87 147.4 39.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.045 -0.525 . . . . 10.0 109.819 179.191 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 1.9 m -60.27 -40.15 89.33 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.191 0.519 . . . . 10.0 110.287 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 14.9 mtmt -60.17 -44.89 94.67 Favored 'General case' 0 C--O 1.219 -0.507 0 CA-C-N 115.469 -0.787 . . . . 10.0 110.927 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -68.69 -34.58 75.91 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.792 0.33 . . . . 10.0 111.072 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.99 -46.74 70.46 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.176 -0.465 . . . . 10.0 109.754 179.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -70.53 -29.3 65.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.713 179.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -61.77 -44.0 97.74 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.09 -0.708 . . . . 10.0 109.09 178.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 15.6 tp -70.61 -44.23 67.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.145 -0.934 . . . . 10.0 110.056 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.29 -38.29 86.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.404 -0.817 . . . . 10.0 111.091 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 14.8 ttm105 -58.11 -46.5 85.45 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.14 -0.482 . . . . 10.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 1.6 m -70.96 -25.22 62.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 10.0 112.024 -179.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 14.2 m-30 -88.43 -17.12 31.11 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.013 0.375 . . . . 10.0 112.013 -179.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 84.63 12.39 75.23 Favored Glycine 0 C--N 1.33 0.203 0 C-N-CA 121.04 -0.6 . . . . 10.0 112.714 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 48.1 pt -106.51 153.22 40.69 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-O 120.712 0.292 . . . . 10.0 110.96 -179.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -90.69 139.0 2.64 Favored 'Trans proline' 0 N--CA 1.456 -0.682 0 C-N-CA 122.535 2.157 . . . . 10.0 111.805 179.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -109.17 130.94 55.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.337 -0.392 . . . . 10.0 110.326 179.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 48.5 mt -127.67 131.49 69.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.373 -0.376 . . . . 10.0 110.41 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -81.97 125.2 30.5 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 108.934 -0.765 . . . . 10.0 108.934 178.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 79.8 p -132.34 -179.91 5.72 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.051 0.453 . . . . 10.0 112.045 -178.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 9.7 t -166.73 117.11 0.92 Allowed 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.111 -0.95 . . . . 10.0 109.313 178.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 146' ' ' ALA . . . . . 0.417 ' N ' ' O6 ' ' C' ' 201' ' ' GSP . . . -70.65 -22.79 62.46 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.33 -0.618 . . . . 10.0 109.33 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -69.34 -35.72 76.2 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.159 -0.928 . . . . 10.0 111.37 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 1.1 p -107.16 -7.06 16.96 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 113.109 0.781 . . . . 10.0 113.109 -179.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 72.35 -4.33 2.06 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 121.593 0.711 . . . . 10.0 111.553 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -70.62 129.84 40.24 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.043 -0.526 . . . . 10.0 111.621 -179.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 83.67 -18.44 19.99 Favored Glycine 0 CA--C 1.517 0.209 0 CA-C-N 115.655 -0.702 . . . . 10.0 114.621 178.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 59.8 t -53.19 -52.39 31.01 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 CA-C-N 117.062 0.431 . . . . 10.0 111.633 -179.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -59.09 -47.41 85.36 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.864 -0.607 . . . . 10.0 111.68 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -59.81 -45.6 91.86 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.835 -0.62 . . . . 10.0 111.913 -178.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -57.86 -49.89 75.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.453 -0.339 . . . . 10.0 111.697 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -63.9 -45.01 91.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.416 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -63.86 -41.65 97.72 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.884 -0.598 . . . . 10.0 111.698 -179.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 89.8 m -61.2 -40.74 95.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.261 -0.427 . . . . 10.0 111.316 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 31.7 tp -59.82 -43.83 94.33 Favored 'General case' 0 CA--C 1.521 -0.137 0 CA-C-O 120.905 0.383 . . . . 10.0 111.061 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 72.1 t -63.31 -43.55 98.68 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.362 179.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 22.7 ttp180 -64.72 -33.77 76.73 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.486 -0.779 . . . . 10.0 110.923 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -63.79 -41.43 97.92 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.947 0.403 . . . . 10.0 110.19 178.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 61.4 mt -64.07 -45.69 95.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.93 -0.577 . . . . 10.0 109.503 179.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 37.3 ttm180 -63.49 -37.44 87.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.915 -0.584 . . . . 10.0 109.706 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -61.63 -51.24 69.3 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.6 -0.727 . . . . 10.0 109.863 179.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 38.2 t-80 -60.38 -49.0 79.34 Favored 'General case' 0 C--O 1.223 -0.32 0 CA-C-N 116.158 -0.473 . . . . 10.0 111.298 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.59 -39.25 90.53 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.388 0.514 . . . . 10.0 112.388 -179.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -72.31 -51.15 22.01 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.98 0.419 . . . . 10.0 110.522 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 41.8 mtpt -66.05 -22.78 66.45 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.051 -0.522 . . . . 10.0 111.784 -179.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.48 -31.38 72.43 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.721 -0.474 . . . . 10.0 109.721 178.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 6.0 m -73.23 -9.9 59.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.578 -0.737 . . . . 10.0 110.887 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 49.0 mtpt -105.65 -10.15 16.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.572 -0.74 . . . . 10.0 109.976 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 173' ' ' ASP . . . . . . . . . . . . . 28.2 t70 70.77 -58.28 0.57 Allowed 'General case' 0 N--CA 1.467 0.425 0 O-C-N 124.096 0.872 . . . . 10.0 112.501 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . 149.85 -28.36 1.15 Allowed Glycine 0 N--CA 1.446 -0.671 0 N-CA-C 110.178 -1.169 . . . . 10.0 110.178 -179.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 175' ' ' LYS . . . . . 0.492 ' HZ1' ' C3 ' ' C' ' 214' ' ' 17F . 0.6 OUTLIER -156.48 -71.31 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 108.521 -0.918 . . . . 10.0 108.521 179.402 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 176' ' ' LYS . . . . . . . . . . . . . 34.6 tttp 44.66 -110.36 0.2 Allowed 'General case' 0 C--O 1.237 0.414 0 CA-C-N 115.572 -0.74 . . . . 10.0 112.994 179.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 177' ' ' LYS . . . . . . . . . . . . . 29.3 ttmt -131.31 28.15 4.72 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.976 -0.556 . . . . 10.0 109.959 -179.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 178' ' ' LYS . . . . . . . . . . . . . 22.8 mmtp 66.13 177.28 0.22 Allowed 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 115.528 -0.76 . . . . 10.0 111.924 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 179' ' ' LYS . . . . . . . . . . . . . 13.1 mmtt -89.85 -59.44 2.2 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.029 0.381 . . . . 10.0 112.029 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 180' ' ' LYS . . . . . . . . . . . . . 46.4 pttt -127.13 139.72 52.77 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.66 -0.416 . . . . 10.0 111.719 179.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 11.3 m -136.7 -19.55 1.36 Allowed 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.055 -0.52 . . . . 10.0 112.277 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 182' ' ' LYS . . . . . . . . . . . . . 63.6 mmtt -78.64 120.22 23.0 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 120.628 0.251 . . . . 10.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -109.23 -42.2 4.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.104 0.478 . . . . 10.0 110.033 179.693 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 184' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.327 -0.403 0 CA-C-N 115.647 -0.706 . . . . 10.0 110.911 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 401' ' ' PCW . . . . . 0.521 ' C31' ' O3 ' ' A' ' 401' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 402' ' ' PCW . . . . . 0.755 ' C35' ' O31' ' A' ' 402' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 403' ' ' PCW . . . . . 0.634 ' C3 ' ' O1P' ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 404' ' ' PCW . . . . . 0.666 ' C22' ' C18' ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 405' ' ' PCW . . . . . 0.501 ' O11' ' C2 ' ' A' ' 405' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 406' ' ' PCW . . . . . 0.689 ' C35' ' C8 ' ' B' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 407' ' ' PCW . . . . . 0.736 ' C21' ' C17' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 408' ' ' PCW . . . . . 0.548 ' O3P' ' O31' ' A' ' 408' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 409' ' ' PCW . . . . . 0.793 ' C14' ' C19' ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 410' ' ' PCW . . . . . 0.537 ' O11' ' C2 ' ' A' ' 410' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 411' ' ' PCW . . . . . 0.534 ' O2P' ' O3 ' ' B' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 412' ' ' PCW . . . . . 0.514 ' O31' ' O3 ' ' A' ' 412' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 413' ' ' PCW . . . . . 0.596 ' C5 ' ' O2P' ' C' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 414' ' ' PCW . . . . . 0.641 ' C47' ' C43' ' A' ' 414' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 415' ' ' 17F . . . . . 0.586 ' C2 ' ' O1 ' ' A' ' 415' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 416' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 417' ' ' PCW . . . . . 0.634 ' O31' ' O3P' ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 418' ' ' PCW . . . . . 0.662 ' C41' ' C37' ' A' ' 418' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 419' ' ' PCW . . . . . 0.52 ' O3 ' ' O31' ' A' ' 419' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 420' ' ' PCW . . . . . 0.608 ' O2 ' ' C41' ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 421' ' ' PCW . . . . . 0.561 ' C12' ' C9 ' ' D' ' 630' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 422' ' ' 17F . . . . . 0.546 ' O10' ' O7 ' ' A' ' 422' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 601' ' ' PCW . . . . . 0.688 ' C42' ' C46' ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 602' ' ' PCW . . . . . 0.592 ' C6 ' ' O4P' ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 603' ' ' PCW . . . . . 0.652 ' O2 ' ' O1P' ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 604' ' ' PCW . . . . . 0.579 ' O3 ' ' O31' ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 605' ' ' PCW . . . . . 0.693 ' O31' ' P ' ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 606' ' ' PCW . . . . . 0.618 ' C14' ' C18' ' D' ' 606' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 607' ' ' PCW . . . . . 0.551 ' C11' ' O31' ' D' ' 607' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 608' ' ' PCW . . . . . 0.519 ' O1P' ' C22' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 609' ' ' PCW . . . . . 0.512 ' O11' ' C7 ' ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 610' ' ' PCW . . . . . 0.605 ' C20' ' C24' ' D' ' 610' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 611' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 612' ' ' PCW . . . . . 0.544 ' C20' ' C48' ' D' ' 620' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 613' ' ' PCW . . . . . 0.652 ' C21' ' C17' ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 614' ' ' PCW . . . . . 0.588 ' O31' ' C1 ' ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 615' ' ' PCW . . . . . 0.648 ' C46' ' C42' ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 616' ' ' PCW . . . . . 0.512 ' C7 ' ' O11' ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 617' ' ' PCW . . . . . 0.542 ' C34' ' C34' ' C' ' 216' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 618' ' ' PCW . . . . . 0.652 ' C23' ' C27' ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 619' ' ' PCW . . . . . 0.462 ' C14' ' C37' ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 620' ' ' PCW . . . . . 0.544 ' C48' ' C20' ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 621' ' ' PCW . . . . . 0.508 ' O1P' ' C5 ' ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 622' ' ' PCW . . . . . 0.563 ' C14' ' C18' ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 623' ' ' PCW . . . . . 0.654 ' C32' ' C36' ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 624' ' ' PCW . . . . . 0.638 ' C6 ' ' O4P' ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 625' ' ' PCW . . . . . 0.595 ' C15' ' C19' ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 626' ' ' PCW . . . . . 0.649 ' C23' ' C27' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 627' ' ' PCW . . . . . 0.669 ' C20' ' C35' ' C' ' 217' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 628' ' ' 17F . . . . . 0.614 ' C31' ' C19' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 629' ' ' 17F . . . . . 0.55 ' O7 ' ' C17' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 630' ' ' 17F . . . . . 0.561 ' C9 ' ' C12' ' A' ' 421' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 631' ' ' 17F . . . . . 0.581 ' O10' ' O7 ' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 632' ' ' 17F . . . . . 0.505 ' O10' ' C4 ' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 201' ' ' GSP . . . . . 0.639 ' O3G' 'MG ' ' B' ' 202' ' ' ' MG' . . . . . . . . 0 O4'--C1' 1.437 1.951 1 O4'-C1'-N19 112.445 4.245 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 202' ' ' ' MG' . . . . . 0.639 'MG ' ' O3G' ' B' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 203' ' ' PCW . . . . . 0.544 ' C7 ' ' O31' ' C' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 204' ' ' PCW . . . . . 0.614 ' C21' ' C17' ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 205' ' ' PCW . . . . . 0.606 ' C21' ' C25' ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 206' ' ' PCW . . . . . 0.607 ' C6 ' ' O4P' ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 207' ' ' PCW . . . . . 0.528 ' O3 ' ' O31' ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 208' ' ' PCW . . . . . 0.616 ' C43' ' C47' ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 209' ' ' 17F . . . . . 0.658 ' C31' ' C19' ' B' ' 209' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 210' ' ' 17F . . . . . 0.44 ' C2 ' ' O2 ' ' B' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 211' ' ' 17F . . . . . 0.689 ' C8 ' ' C35' ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 201' ' ' GSP . . . . . 0.417 ' O6 ' ' N ' ' C' ' 146' ' ' ALA . . . . . . . . 0 O4'--C1' 1.437 1.882 2 O4'-C1'-N19 113.602 5.402 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 203' ' ' PCW . . . . . 0.657 ' C21' ' C25' ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 204' ' ' PCW . . . . . 0.638 ' C42' ' C46' ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 205' ' ' PCW . . . . . 0.662 ' O1P' ' N1 ' ' C' ' 214' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 206' ' ' PCW . . . . . 0.632 ' C24' ' C28' ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 207' ' ' PCW . . . . . 0.705 ' O1P' ' C3 ' ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 208' ' ' PCW . . . . . 0.459 ' C38' ' C26' ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 209' ' ' PCW . . . . . 0.619 ' C22' ' C26' ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 210' ' ' PCW . . . . . 0.607 ' C35' ' O31' ' C' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 211' ' ' PCW . . . . . 0.589 ' P ' ' C6 ' ' C' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 212' ' ' PCW . . . . . 0.661 ' C20' ' C24' ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 213' ' ' 17F . . . . . 0.558 ' C9 ' ' C35' ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 214' ' ' 17F . . . . . 0.662 ' N1 ' ' O1P' ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 215' ' ' 17F . . . . . 0.64 ' N1 ' ' O2 ' ' C' ' 215' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 216' ' ' PCW . . . . . 0.542 ' C34' ' C34' ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 217' ' ' PCW . . . . . 0.669 ' C35' ' C20' ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 218' ' ' 17F . . . . . 0.734 ' O7 ' ' C18' ' C' ' 218' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 219' ' ' 17F . . . . . 0.55 ' C1Z' ' C14' ' C' ' 217' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 30.8 mt . . . . . 0 CA--C 1.517 -0.298 0 CA-C-O 120.765 0.316 . . . . 10.0 110.644 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -58.53 -47.66 83.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.858 -0.61 . . . . 10.0 112.158 -179.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 89.0 mt -58.18 -46.97 84.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.573 -0.285 . . . . 10.0 111.568 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 75.5 mt -64.97 -43.06 93.9 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.985 0.421 . . . . 10.0 111.282 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -68.34 -43.48 77.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 10.0 111.071 -179.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -68.36 -36.16 78.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.846 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 62.2 t90 -63.95 -35.83 81.97 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.153 0.501 . . . . 10.0 110.033 178.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -59.38 -37.06 76.99 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.84 -0.618 . . . . 10.0 110.615 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 8.4 m -64.8 -37.66 88.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.011 -0.541 . . . . 10.0 110.165 178.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 9.8 t -71.81 -34.16 50.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 108.811 -0.811 . . . . 10.0 108.811 178.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 23.5 m -64.89 -47.25 78.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.54 -0.755 . . . . 10.0 111.093 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.21 -41.5 99.16 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.701 -0.481 . . . . 10.0 109.701 179.239 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 40.7 m -61.67 -47.88 83.34 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.935 -0.575 . . . . 10.0 109.748 178.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -56.1 -43.52 78.15 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 121.103 0.478 . . . . 10.0 110.334 179.142 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 17.3 m -60.11 -49.53 77.28 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.537 -0.756 . . . . 10.0 110.765 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 31.3 mttt -68.8 -34.05 74.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.748 0.308 . . . . 10.0 111.172 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 50.0 mt -61.93 -42.85 99.57 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.637 -0.505 . . . . 10.0 109.637 178.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 64.0 mtt180 -69.39 -32.83 72.1 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.231 179.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -64.41 -39.85 94.63 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.668 -0.494 . . . . 10.0 109.668 178.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -77.38 -30.22 53.59 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.679 -0.691 . . . . 10.0 110.216 178.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 4.4 mt -58.16 -31.36 67.16 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.842 -0.617 . . . . 10.0 111.228 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -57.49 -68.37 1.73 Allowed Glycine 0 CA--C 1.52 0.345 0 N-CA-C 110.523 -1.031 . . . . 10.0 110.523 178.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -53.97 -36.9 85.46 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.758 2.306 . . . . 10.0 111.046 177.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 26.8 t -58.15 -51.66 68.27 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.093 0 CA-C-N 116.486 -0.324 . . . . 10.0 110.602 179.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 2.8 p -68.73 -29.94 68.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.013 0.435 . . . . 10.0 110.81 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -66.21 -51.54 56.7 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.272 -0.422 . . . . 10.0 110.777 178.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -67.7 -40.05 84.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.164 179.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -61.12 -44.94 96.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.304 179.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -65.63 -38.13 88.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.552 179.516 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -63.74 -45.06 91.56 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.774 -0.648 . . . . 10.0 110.038 179.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -69.91 -35.93 74.97 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.437 179.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 15.8 mt -64.9 -38.99 92.82 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.956 -0.757 . . . . 10.0 108.956 177.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -63.43 -32.71 74.23 Favored 'General case' 0 C--O 1.225 -0.197 0 CA-C-N 115.753 -0.658 . . . . 10.0 110.39 178.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 47.2 mttt -68.16 -41.41 81.57 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 108.575 -0.898 . . . . 10.0 108.575 178.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.75 -48.12 70.13 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.489 -0.778 . . . . 10.0 110.47 179.189 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 15.9 p -64.12 -40.92 97.22 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.362 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -59.67 -46.05 90.22 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.452 -0.574 . . . . 10.0 109.452 178.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -60.21 -48.04 88.07 Favored Glycine 0 N--CA 1.443 -0.872 0 N-CA-C 109.712 -1.355 . . . . 10.0 109.712 178.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 88.6 mt -60.82 -31.2 70.61 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.543 0.211 . . . . 10.0 111.164 179.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 49.6 mtt180 -67.64 -42.39 82.36 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.564 -0.532 . . . . 10.0 109.564 178.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -71.39 -39.69 71.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.619 0.723 . . . . 10.0 109.149 178.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -66.72 -32.87 74.45 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.163 -0.926 . . . . 10.0 110.357 179.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 48.4 ttm -59.82 -32.71 70.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.947 0.404 . . . . 10.0 110.419 179.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 1.5 m -71.95 3.93 3.88 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 115.567 -0.742 . . . . 10.0 110.924 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -131.79 -54.42 1.0 Allowed 'General case' 0 C--O 1.222 -0.357 0 N-CA-C 109.273 -0.64 . . . . 10.0 109.273 178.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 246' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.67 -47.61 76.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 10.0 111.51 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . 16.8 mt -89.13 -43.12 11.27 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.504 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -60.7 -49.81 76.02 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.705 0.631 . . . . 10.0 112.705 -179.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -70.43 -28.61 65.17 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 120.917 0.389 . . . . 10.0 110.947 -179.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 250' ' ' VAL . . . . . 0.435 ' CB ' ' HH ' ' D' ' 521' ' ' TYR . 0.3 OUTLIER -75.44 -30.53 22.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 O-C-N 122.012 -0.43 . . . . 10.0 110.331 178.938 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 39.6 tttt -80.58 -40.31 26.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.73 -0.668 . . . . 10.0 109.828 179.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -68.87 -34.46 75.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.504 -0.316 . . . . 10.0 110.322 179.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -89.65 -15.77 31.93 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.284 -0.416 . . . . 10.0 112.026 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 254' ' ' VAL . . . . . . . . . . . . . 2.3 p -65.12 -27.72 42.93 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 C-N-CA 120.611 -0.436 . . . . 10.0 110.209 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -63.93 -61.25 7.19 Favored Pre-proline 0 CA--C 1.536 0.415 0 CA-C-N 115.862 -0.608 . . . . 10.0 111.2 179.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -65.67 -29.42 51.69 Favored 'Trans proline' 0 C--N 1.354 0.865 0 C-N-CA 121.865 1.71 . . . . 10.0 112.062 178.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 6.7 m-30 -68.9 -50.69 47.45 Favored 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 109.849 -0.426 . . . . 10.0 109.849 179.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.51 -42.01 99.22 Favored 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 109.268 -0.642 . . . . 10.0 109.268 179.363 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -58.67 -37.53 76.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.435 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -66.22 -54.06 29.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.32 179.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -62.05 -45.74 92.2 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 115.604 -0.725 . . . . 10.0 111.04 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -63.59 -41.49 98.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.092 -0.504 . . . . 10.0 111.513 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 20.7 ttmt -59.31 -50.07 75.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.09 0.471 . . . . 10.0 110.039 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 264' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -66.75 -35.4 80.02 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.612 -0.722 . . . . 10.0 109.876 178.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 5.1 m95 -64.23 -36.03 82.75 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 109.646 -0.501 . . . . 10.0 109.646 178.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -62.48 -49.03 77.0 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 108.801 -0.814 . . . . 10.0 108.801 178.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -60.37 -45.17 94.47 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 109.089 -0.708 . . . . 10.0 109.089 178.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -57.73 -48.55 79.28 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.966 -0.561 . . . . 10.0 111.213 179.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 94.5 mmm -64.78 -47.81 76.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.685 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -62.84 -42.84 99.9 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.67 -0.241 . . . . 10.0 111.257 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 44.6 mt -62.72 -41.89 99.39 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 109.409 -0.589 . . . . 10.0 109.409 178.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.59 -44.76 93.09 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 115.612 -0.722 . . . . 10.0 109.468 178.695 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -61.47 -44.58 96.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.38 179.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -67.3 -18.63 65.26 Favored 'General case' 0 CA--C 1.523 -0.088 0 CA-C-N 115.837 -0.62 . . . . 10.0 111.255 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 275' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -93.85 -38.91 10.99 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.494 -0.321 . . . . 10.0 110.554 178.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 25.5 t -53.68 -40.04 41.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.314 -0.403 . . . . 10.0 110.828 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -57.98 -64.97 2.14 Favored Pre-proline 0 CA--C 1.542 0.653 0 N-CA-C 112.127 0.417 . . . . 10.0 112.127 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -62.34 -36.99 64.17 Favored 'Trans proline' 0 C--N 1.358 1.031 0 C-N-CA 122.048 1.832 . . . . 10.0 112.404 179.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 29.3 mt -65.0 -36.79 85.55 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.697 0.284 . . . . 10.0 110.561 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 28.5 ttm180 -64.73 -39.26 93.34 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 109.356 -0.609 . . . . 10.0 109.356 178.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -59.75 -48.16 82.78 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.908 -0.587 . . . . 10.0 109.508 178.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -61.52 -46.68 88.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.272 179.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 30.0 mt -63.5 -40.4 96.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.953 -0.567 . . . . 10.0 111.154 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -67.99 -51.29 48.86 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.079 -0.509 . . . . 10.0 110.874 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -61.06 -40.5 93.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.925 0.393 . . . . 10.0 110.382 179.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -66.32 -46.54 77.91 Favored Glycine 0 N--CA 1.441 -0.967 0 N-CA-C 110.728 -0.949 . . . . 10.0 110.728 178.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -61.91 -38.95 90.28 Favored 'General case' 0 C--O 1.222 -0.375 0 N-CA-C 110.501 -0.185 . . . . 10.0 110.501 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 88.5 mtt180 -54.4 -51.42 64.93 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 116.315 -0.402 . . . . 10.0 110.547 179.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -70.73 -46.73 62.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.988 -0.551 . . . . 10.0 111.421 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -58.57 -48.01 82.33 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.751 0.31 . . . . 10.0 111.531 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 94.3 mt -66.0 -38.58 88.84 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.492 -0.322 . . . . 10.0 110.841 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -68.54 -36.85 79.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.83 0.348 . . . . 10.0 110.575 179.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -65.76 -37.12 85.46 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.967 -0.753 . . . . 10.0 108.967 178.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 72.3 mt -67.46 -37.55 83.1 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.802 -0.635 . . . . 10.0 109.639 178.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -68.18 -30.14 69.17 Favored 'General case' 0 CA--C 1.521 -0.16 0 N-CA-C 109.483 -0.562 . . . . 10.0 109.483 178.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -65.71 -15.45 62.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.688 -0.687 . . . . 10.0 110.954 178.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 17.9 mmtp -111.91 -27.54 8.41 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.147 179.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 12.4 mt -69.69 -34.25 73.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.212 -0.449 . . . . 10.0 112.116 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 299' ' ' SER . . . . . . . . . . . . . 8.8 m -76.33 -66.34 0.37 Allowed Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 113.162 0.801 . . . . 10.0 113.162 -179.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 300' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -63.48 -57.07 0.41 Allowed 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 121.736 1.624 . . . . 10.0 112.803 -179.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 68.4 mt -64.42 -26.36 68.42 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-O 120.548 0.213 . . . . 10.0 110.506 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -70.6 -50.72 24.1 Favored Glycine 0 N--CA 1.449 -0.461 0 N-CA-C 110.851 -0.899 . . . . 10.0 110.851 178.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -62.05 -41.35 98.05 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 121.302 0.572 . . . . 10.0 109.803 178.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.95 -38.96 92.98 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.216 -0.902 . . . . 10.0 109.634 178.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 11.0 tpt -62.94 -39.95 96.17 Favored 'General case' 0 CA--C 1.518 -0.273 0 N-CA-C 109.329 -0.619 . . . . 10.0 109.329 178.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 62.7 mtt180 -67.46 -38.21 84.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.658 -0.701 . . . . 10.0 110.092 178.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -67.58 -39.66 84.87 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 109.46 -0.571 . . . . 10.0 109.46 178.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -67.51 -34.47 77.18 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 108.612 -0.885 . . . . 10.0 108.612 177.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -66.09 -37.98 87.1 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 108.955 -0.757 . . . . 10.0 108.955 178.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 310' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -59.53 -45.96 90.26 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 108.209 -1.034 . . . . 10.0 108.209 177.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -64.88 -42.03 95.15 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.626 -0.715 . . . . 10.0 110.017 178.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -56.24 -51.9 66.41 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.139 179.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 59.2 t -70.12 -39.48 77.14 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-N 115.576 -0.738 . . . . 10.0 111.878 -179.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -62.18 -42.41 99.25 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 109.8 -0.444 . . . . 10.0 109.8 179.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -64.93 -33.82 76.93 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.895 -0.593 . . . . 10.0 109.632 178.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 33.3 mt -70.21 -42.55 72.19 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.432 178.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 33.3 ttm105 -63.16 -41.35 99.23 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.967 -0.561 . . . . 10.0 111.412 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -66.23 -21.05 66.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.045 0.45 . . . . 10.0 111.224 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 49.9 m80 -98.45 -41.51 7.76 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.22 -0.445 . . . . 10.0 110.812 179.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 77.0 mt -66.92 -26.54 66.91 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.284 0.475 . . . . 10.0 112.284 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -60.62 -60.75 9.64 Favored Pre-proline 0 CA--C 1.532 0.269 0 C-N-CA 120.945 -0.302 . . . . 10.0 110.877 178.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -66.71 -28.51 43.98 Favored 'Trans proline' 0 C--N 1.356 0.942 0 C-N-CA 121.512 1.475 . . . . 10.0 110.737 178.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 3.7 m-30 -63.08 -51.46 66.57 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 116.253 -0.431 . . . . 10.0 109.849 178.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 17.5 p -67.53 -33.58 75.35 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 110.01 -0.367 . . . . 10.0 110.01 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -61.26 -47.12 87.47 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 115.841 -0.618 . . . . 10.0 109.393 178.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -74.55 -24.15 58.89 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.702 -0.681 . . . . 10.0 110.666 178.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 19.4 mt -67.98 -30.37 69.63 Favored 'General case' 0 CA--C 1.52 -0.178 0 N-CA-C 108.887 -0.783 . . . . 10.0 108.887 177.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 -63.22 -45.74 90.21 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 107.992 -1.114 . . . . 10.0 107.992 177.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -63.73 -44.13 94.45 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 114.998 -1.001 . . . . 10.0 109.288 178.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 27.4 mtt-85 -57.31 -49.01 77.45 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.652 -0.704 . . . . 10.0 110.102 178.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 6.1 mt -60.17 -47.92 83.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.74 179.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -59.66 -46.68 88.32 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.239 -0.437 . . . . 10.0 111.155 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -62.7 -45.78 91.2 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.942 0.401 . . . . 10.0 110.845 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 35.3 mtt-85 -63.94 -41.88 97.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.4 179.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 24.8 mt -62.63 -43.84 97.8 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.278 179.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -63.49 -45.91 88.57 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 120.645 0.26 . . . . 10.0 110.572 179.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -56.21 -47.18 78.9 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.846 -0.615 . . . . 10.0 110.349 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 67.0 mt -80.96 -12.91 59.3 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.306 -0.407 . . . . 10.0 111.823 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 70.7 tttt -80.64 -54.87 5.26 Favored 'General case' 0 CA--C 1.512 -0.504 0 N-CA-C 109.417 -0.586 . . . . 10.0 109.417 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -66.02 -41.52 90.84 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.36 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -67.15 -44.18 80.43 Favored 'General case' 0 C--O 1.225 -0.197 0 N-CA-C 108.846 -0.798 . . . . 10.0 108.846 178.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -60.44 -41.51 98.61 Favored Glycine 0 N--CA 1.447 -0.586 0 CA-C-N 115.798 -0.637 . . . . 10.0 111.892 179.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -61.25 -41.68 99.56 Favored Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 110.902 -0.879 . . . . 10.0 110.902 178.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -68.86 -40.21 79.46 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 109.728 -0.471 . . . . 10.0 109.728 179.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 33.0 mtm180 -64.58 -44.11 91.72 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.579 179.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 24.0 mt -59.79 -47.46 85.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.87 0.367 . . . . 10.0 110.199 179.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.97 -40.46 93.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.121 0.486 . . . . 10.0 110.183 179.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -67.32 -44.73 78.4 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.017 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -61.44 -41.42 97.16 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.394 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 31.1 m-70 -62.03 -44.95 95.6 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.566 -0.531 . . . . 10.0 109.566 178.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -63.13 -47.11 84.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.814 -0.63 . . . . 10.0 109.792 179.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 12.2 mttm -59.99 -46.21 90.21 Favored 'General case' 0 CA--C 1.521 -0.135 0 CA-C-N 116.134 -0.485 . . . . 10.0 109.836 178.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.19 -37.22 76.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.057 -0.519 . . . . 10.0 110.095 179.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 55.4 m -61.85 -47.17 86.25 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.09 -0.708 . . . . 10.0 109.09 178.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -63.43 -39.36 94.28 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.014 -0.539 . . . . 10.0 109.685 178.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -64.96 -36.33 84.03 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-N 115.703 -0.681 . . . . 10.0 109.966 178.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 72.5 mt -70.5 -40.17 73.7 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 110.012 -0.366 . . . . 10.0 110.012 179.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 20.3 m -62.56 -39.91 95.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.211 -0.449 . . . . 10.0 110.276 178.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 1.6 p -76.96 -32.85 57.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.064 0.459 . . . . 10.0 110.159 178.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 56.3 tp -65.16 -30.24 71.14 Favored 'General case' 0 CA--C 1.517 -0.292 0 N-CA-C 109.022 -0.732 . . . . 10.0 109.022 178.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 35.7 m -63.19 -30.55 71.67 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.536 -0.757 . . . . 10.0 109.842 178.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -72.39 -22.79 61.08 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.35 -0.611 . . . . 10.0 109.35 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 363' ' ' LYS . . . . . . . . . . . . . 44.6 mtmt -91.97 -23.16 19.65 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.503 -0.771 . . . . 10.0 110.529 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -91.16 -33.69 15.32 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.909 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -97.79 -74.18 0.04 OUTLIER Pre-proline 0 CA--C 1.538 0.49 0 N-CA-C 112.423 0.527 . . . . 10.0 112.423 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -61.84 -54.19 1.71 Allowed 'Trans proline' 0 C--N 1.355 0.876 0 C-N-CA 121.923 1.749 . . . . 10.0 113.034 -179.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 367' ' ' ALA . . . . . . . . . . . . . . . -57.23 -48.49 78.7 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.325 0.491 . . . . 10.0 112.325 -179.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 12.1 mt -64.86 -37.56 88.05 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.912 -0.315 . . . . 10.0 111.041 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -60.79 -50.25 74.22 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.089 -0.708 . . . . 10.0 109.089 178.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.28 -43.12 92.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.755 -0.657 . . . . 10.0 110.505 179.343 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 75.1 mt -63.36 -45.99 88.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.669 179.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 82.9 mtt180 -65.47 -36.9 85.26 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 120.769 0.319 . . . . 10.0 110.774 179.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -63.09 -35.58 80.74 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.687 -0.688 . . . . 10.0 110.094 178.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -83.13 -31.93 27.29 Favored Glycine 0 N--CA 1.45 -0.412 0 CA-C-N 115.907 -0.588 . . . . 10.0 112.015 179.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 43.3 mt -61.92 -38.16 87.38 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 120.326 0.107 . . . . 10.0 111.086 179.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 18.9 mt -52.54 -61.81 4.12 Favored Pre-proline 0 CA--C 1.54 0.584 0 N-CA-C 113.238 0.829 . . . . 10.0 113.238 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_endo -59.84 -36.42 90.94 Favored 'Trans proline' 0 C--N 1.356 0.964 0 C-N-CA 122.115 1.877 . . . . 10.0 111.638 179.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 57.5 t -64.04 -44.34 97.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 63.0 mt -63.08 -41.37 99.4 Favored 'General case' 0 CA--C 1.516 -0.365 0 N-CA-C 109.622 -0.511 . . . . 10.0 109.622 178.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -61.89 -43.03 99.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 10.0 109.987 178.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 16.3 m -63.56 -40.86 98.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.825 -0.625 . . . . 10.0 109.705 178.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -64.2 -39.4 93.9 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-N 115.833 -0.621 . . . . 10.0 110.512 179.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -58.9 -44.44 91.24 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 110.009 -0.367 . . . . 10.0 110.009 179.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 39.6 t -65.1 -45.25 94.78 Favored 'Isoleucine or valine' 0 C--O 1.232 0.161 0 CA-C-O 121.059 0.457 . . . . 10.0 110.129 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 21.4 m -64.83 -38.65 91.71 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.849 -0.614 . . . . 10.0 111.55 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -72.74 -40.37 66.11 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.544 0.211 . . . . 10.0 111.35 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 17.7 mt -61.11 -44.81 96.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.803 0.335 . . . . 10.0 110.355 178.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 9.7 p -68.66 -34.93 76.55 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.604 179.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -65.33 -40.45 93.71 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.178 -0.465 . . . . 10.0 110.105 179.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 77.6 mt -62.09 -37.25 84.33 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.034 -0.53 . . . . 10.0 109.824 178.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -63.41 -38.7 92.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.925 -0.58 . . . . 10.0 110.174 178.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -56.72 -43.01 80.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.633 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -61.63 -42.99 99.67 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.926 -0.579 . . . . 10.0 109.906 178.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 18.0 m -70.42 -31.77 69.11 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.954 -0.567 . . . . 10.0 112.423 -179.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 395' ' ' LYS . . . . . 0.424 ' HZ2' ' CD ' ' D' ' 590' ' ' GLU . 53.8 mtmt -82.83 -36.23 25.68 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 113.617 0.969 . . . . 10.0 113.617 -178.471 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -98.47 -35.82 10.14 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 113.938 1.088 . . . . 10.0 113.938 -178.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 36.1 mt -93.75 -1.76 54.63 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.749 -0.38 . . . . 10.0 111.724 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 15.1 t30 . . . . . 0 C--N 1.324 -0.539 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.299 -179.736 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 3.7 mm? . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.909 0.385 . . . . 10.0 111.006 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -83.92 31.56 0.49 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.552 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 44.7 mt -65.71 -39.18 90.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.86 -0.609 . . . . 10.0 111.543 -179.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 87.3 mt -68.24 -41.24 81.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.823 0.344 . . . . 10.0 110.54 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -66.0 -44.57 84.43 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.58 -0.736 . . . . 10.0 109.689 179.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -63.22 -46.5 86.68 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.423 -0.808 . . . . 10.0 110.668 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -63.17 -29.76 71.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.199 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -65.37 -43.25 91.32 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.849 -0.426 . . . . 10.0 109.849 179.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.29 -34.55 77.94 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.119 0.485 . . . . 10.0 110.028 179.193 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 54.8 t -68.44 -32.73 56.65 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-N 115.441 -0.799 . . . . 10.0 109.164 178.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 82.4 m -67.72 -40.54 84.22 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.515 -0.766 . . . . 10.0 109.332 178.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.6 -39.35 83.93 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.724 -0.671 . . . . 10.0 110.58 179.059 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.15 -37.35 80.95 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 116.178 -0.464 . . . . 10.0 110.019 179.337 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -65.84 -44.16 86.34 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.167 178.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 14.5 m -58.94 -42.9 90.91 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.87 -0.418 . . . . 10.0 109.87 178.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 28.6 mmtt -61.68 -37.18 83.14 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 121.248 0.547 . . . . 10.0 110.566 178.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 85.5 mt -69.57 -38.88 77.58 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.867 -0.606 . . . . 10.0 109.596 178.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -64.94 -34.71 79.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.978 -0.555 . . . . 10.0 111.014 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -67.43 -40.9 85.51 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.296 -0.631 . . . . 10.0 109.296 178.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -71.88 -25.3 61.88 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.763 -0.653 . . . . 10.0 110.201 179.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 17.6 mt -74.38 -0.4 17.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.691 -0.686 . . . . 10.0 111.235 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -99.68 -94.18 2.09 Favored Glycine 0 N--CA 1.444 -0.828 0 CA-C-N 115.71 -0.677 . . . . 10.0 111.557 178.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -50.33 -43.39 44.09 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 123.662 2.908 . . . . 10.0 113.773 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 57.4 t -63.69 -40.88 90.68 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 CA-C-O 120.579 0.228 . . . . 10.0 111.342 -179.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 3.8 m -73.73 -35.19 65.05 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.938 -0.393 . . . . 10.0 109.938 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -60.71 -45.59 93.63 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.103 -0.499 . . . . 10.0 109.841 178.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -75.29 -25.05 57.64 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.272 -0.422 . . . . 10.0 110.219 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -66.34 -39.87 89.49 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 108.576 -0.898 . . . . 10.0 108.576 177.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 4.3 m95 -67.19 -39.36 86.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.466 -0.788 . . . . 10.0 109.316 178.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -66.8 -32.99 74.63 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 108.626 -0.879 . . . . 10.0 108.626 177.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -67.99 -42.53 80.63 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 108.944 -0.761 . . . . 10.0 108.944 177.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 85.9 mt -55.82 -38.21 69.7 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 115.832 -0.622 . . . . 10.0 109.555 178.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 -62.87 -46.18 89.06 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.826 -0.625 . . . . 10.0 109.591 178.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -61.44 -44.5 97.01 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 116.123 -0.489 . . . . 10.0 109.904 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -62.99 -53.21 57.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.758 -0.656 . . . . 10.0 111.555 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 12.0 p -63.69 -45.5 89.75 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.732 0.271 . . . . 10.0 111.732 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -64.45 -41.08 96.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.814 0.34 . . . . 10.0 110.448 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -63.74 -42.07 98.73 Favored Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 110.549 -1.02 . . . . 10.0 110.549 178.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 73.9 mt -67.64 -29.66 69.02 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.587 -0.523 . . . . 10.0 109.587 178.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 61.4 mtt180 -71.02 -29.69 65.69 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.222 -0.445 . . . . 10.0 109.929 178.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -61.02 -40.24 92.83 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 109.625 -0.509 . . . . 10.0 109.625 178.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -87.16 -41.5 13.71 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.626 -0.715 . . . . 10.0 111.384 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 6.9 mmm -61.76 -38.72 89.04 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 112.605 0.595 . . . . 10.0 112.605 -179.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 36.1 p -64.81 -54.26 34.02 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.787 -0.449 . . . . 10.0 109.787 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp -61.9 -29.05 69.95 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.947 -0.57 . . . . 10.0 110.337 179.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -70.26 -57.76 4.52 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.811 -0.631 . . . . 10.0 109.786 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 11.9 mt -60.4 -42.8 96.68 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.659 0.615 . . . . 10.0 112.659 -179.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -64.46 -25.92 68.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.361 0.601 . . . . 10.0 110.04 179.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 447' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -90.97 -23.94 20.27 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.835 -0.62 . . . . 10.0 109.989 179.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 6.6 t -60.86 -41.58 89.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 109.136 -0.69 . . . . 10.0 109.136 178.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 70.6 mttt -64.91 -25.58 67.94 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.431 -0.804 . . . . 10.0 109.808 178.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -94.47 -1.57 53.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.579 -0.737 . . . . 10.0 111.316 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 36.7 mmtm -113.04 -45.83 3.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.497 -0.319 . . . . 10.0 110.915 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 98.3 t -68.34 -40.78 82.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.315 -0.402 . . . . 10.0 111.367 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -55.73 -60.06 9.68 Favored Pre-proline 0 CA--C 1.536 0.408 0 N-CA-C 112.18 0.437 . . . . 10.0 112.18 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -64.84 -29.77 58.59 Favored 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 121.54 1.494 . . . . 10.0 111.647 179.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -69.54 -41.97 75.24 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 110.14 -0.319 . . . . 10.0 110.14 179.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 20.0 mt -66.25 -36.19 82.35 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.854 -0.424 . . . . 10.0 109.854 179.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -67.1 -50.63 60.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.852 -0.613 . . . . 10.0 109.987 178.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 458' ' ' ASP . . . . . 0.479 ' CG ' ' HZ2' ' D' ' 462' ' ' LYS . 29.8 t70 -63.39 -36.67 84.48 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-N 115.877 -0.601 . . . . 10.0 109.991 179.293 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -65.58 -47.95 74.02 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 115.716 -0.675 . . . . 10.0 109.58 178.552 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -62.61 -35.15 78.63 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.914 -0.585 . . . . 10.0 110.346 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 61.5 mttt -61.41 -46.23 91.0 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.312 -0.625 . . . . 10.0 109.312 178.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 462' ' ' LYS . . . . . 0.479 ' HZ2' ' CG ' ' D' ' 458' ' ' ASP . 14.9 mtmm -67.66 -36.18 80.25 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 115.521 -0.763 . . . . 10.0 110.202 178.406 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 37.9 m0 -62.62 -46.42 88.34 Favored 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 108.613 -0.884 . . . . 10.0 108.613 177.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -59.0 -44.72 91.69 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-N 115.485 -0.78 . . . . 10.0 109.745 178.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 465' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -56.66 -58.67 7.08 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.434 179.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.86 -42.73 98.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.436 -179.512 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 25.8 ttm -60.69 -45.43 94.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.706 0.289 . . . . 10.0 110.767 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -67.98 -41.2 82.71 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 116.382 -0.372 . . . . 10.0 110.086 178.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 469' ' ' LEU . . . . . . . . . . . . . 65.9 mt -57.36 -41.85 80.93 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 116.242 -0.436 . . . . 10.0 110.171 179.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 14.3 m-30 -62.91 -26.61 68.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 10.0 111.059 179.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 14.5 mmt85 -74.89 -19.91 59.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.099 -0.501 . . . . 10.0 110.205 178.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.5 10.61 16.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 10.0 111.09 178.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 473' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -133.51 -64.83 0.7 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.781 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 94.9 t -63.19 -42.18 95.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.574 -0.285 . . . . 10.0 110.766 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -58.06 -57.19 27.68 Favored Pre-proline 0 CA--C 1.538 0.509 0 N-CA-C 112.052 0.39 . . . . 10.0 112.052 179.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_endo -62.46 -34.63 75.44 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 121.821 1.681 . . . . 10.0 111.142 177.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 19.6 mt -64.75 -31.21 72.33 Favored 'General case' 0 CA--C 1.522 -0.109 0 CA-C-O 121.23 0.538 . . . . 10.0 109.707 178.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 13.7 mtt180 -67.3 -29.6 69.23 Favored 'General case' 0 C--O 1.22 -0.474 0 N-CA-C 109.228 -0.656 . . . . 10.0 109.228 177.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -76.13 -38.79 56.38 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 108.321 -0.992 . . . . 10.0 108.321 178.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.41 -45.5 94.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.347 -0.842 . . . . 10.0 108.764 177.707 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 90.1 mt -74.77 -25.63 59.2 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 115.513 -0.767 . . . . 10.0 110.4 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -65.59 -59.62 3.77 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.315 -0.624 . . . . 10.0 109.315 179.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.33 -34.69 78.55 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.519 -0.764 . . . . 10.0 110.24 179.574 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -64.83 -44.1 95.2 Favored Glycine 0 N--CA 1.446 -0.637 0 N-CA-C 111.388 -0.685 . . . . 10.0 111.388 178.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -67.59 -39.18 84.82 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 109.735 -0.468 . . . . 10.0 109.735 178.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -62.83 -41.9 99.51 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 116.071 -0.513 . . . . 10.0 109.665 178.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -66.75 -43.6 83.67 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.709 -0.678 . . . . 10.0 109.472 178.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -63.98 -37.58 87.94 Favored 'General case' 0 C--O 1.224 -0.24 0 N-CA-C 109.69 -0.485 . . . . 10.0 109.69 178.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 31.8 mt -64.3 -38.64 91.77 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 109.17 -0.678 . . . . 10.0 109.17 177.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -66.69 -45.76 77.77 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 108.181 -1.044 . . . . 10.0 108.181 177.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -58.28 -41.36 84.18 Favored 'General case' 0 CA--C 1.52 -0.174 0 N-CA-C 109.269 -0.641 . . . . 10.0 109.269 178.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 49.9 mt -66.63 -47.31 72.99 Favored 'General case' 0 C--O 1.22 -0.473 0 CA-C-N 115.728 -0.669 . . . . 10.0 110.408 179.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -60.1 -37.47 80.08 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.783 0.325 . . . . 10.0 110.803 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -69.32 -8.2 44.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.965 179.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 495' ' ' LYS . . . . . . . . . . . . . 48.5 mttp -112.93 -44.28 3.31 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.123 179.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 80.5 mt -62.55 -22.32 66.24 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.88 -0.6 . . . . 10.0 111.846 -179.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 497' ' ' SER . . . . . . . . . . . . . 10.4 m -81.41 -65.46 0.25 Allowed Pre-proline 0 C--N 1.325 -0.488 0 C-N-CA 120.786 -0.365 . . . . 10.0 111.868 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 498' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -66.44 -45.99 4.52 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 121.66 1.573 . . . . 10.0 112.15 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 499' ' ' LEU . . . . . . . . . . . . . 82.9 mt -72.54 -29.94 64.01 Favored 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 110.077 -0.342 . . . . 10.0 110.077 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -65.56 -50.6 53.82 Favored Glycine 0 N--CA 1.442 -0.959 0 N-CA-C 110.479 -1.048 . . . . 10.0 110.479 178.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -65.64 -34.66 78.74 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 109.545 -0.539 . . . . 10.0 109.545 178.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 502' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -64.08 -45.61 87.95 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 109.234 -0.654 . . . . 10.0 109.234 178.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 74.8 mmm -61.66 -36.05 79.72 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 109.392 -0.595 . . . . 10.0 109.392 178.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -63.56 -46.8 84.25 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.267 -0.642 . . . . 10.0 109.267 178.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -64.3 -39.74 94.54 Favored 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.375 179.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 506' ' ' ARG . . . . . . . . . . . . . 57.9 mtt180 -59.15 -47.2 86.16 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 108.812 -0.811 . . . . 10.0 108.812 178.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -62.83 -40.21 96.7 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.492 -0.776 . . . . 10.0 109.635 179.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 508' ' ' ARG . . . . . . . . . . . . . 72.5 mtt180 -59.2 -41.34 88.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.246 -0.434 . . . . 10.0 110.435 178.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -68.01 -42.27 80.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.908 -0.587 . . . . 10.0 111.281 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 75.6 m-70 -71.67 -45.27 62.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.827 0.346 . . . . 10.0 110.668 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.35 -42.29 95.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.364 -0.38 . . . . 10.0 110.362 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -65.43 -35.52 81.18 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 121.055 0.455 . . . . 10.0 109.917 179.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -66.12 -41.05 91.06 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 108.506 -0.924 . . . . 10.0 108.506 177.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 514' ' ' LEU . . . . . . . . . . . . . 70.6 mt -60.5 -34.4 74.02 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 115.957 -0.565 . . . . 10.0 109.637 178.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 515' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -67.35 -23.55 65.62 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.953 -0.567 . . . . 10.0 109.716 178.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -103.7 1.5 31.91 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.539 -0.755 . . . . 10.0 110.369 -179.53 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 38.7 m170 -115.59 -64.71 1.28 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.382 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 79.4 mt -65.11 -51.29 62.17 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 115.899 -0.591 . . . . 10.0 112.188 -178.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 519' ' ' ALA . . . . . . . . . . . . . . . -53.71 -58.31 13.67 Favored Pre-proline 0 CA--C 1.54 0.592 0 N-CA-C 113.117 0.784 . . . . 10.0 113.117 -179.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 520' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_exo -62.47 -41.27 33.85 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 121.958 1.772 . . . . 10.0 111.543 179.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 521' ' ' TYR . . . . . 0.435 ' HH ' ' CB ' ' A' ' 250' ' ' VAL . 6.7 t80 -67.45 -34.69 77.71 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.31 -0.405 . . . . 10.0 111.74 -179.274 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 94.8 p -64.95 -34.03 77.45 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 121.036 -0.266 . . . . 10.0 110.748 179.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -69.43 -35.93 76.18 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 109.367 -0.605 . . . . 10.0 109.367 178.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -71.32 -35.6 71.29 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 108.236 -1.024 . . . . 10.0 108.236 177.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 28.5 mt -64.96 -34.22 77.91 Favored 'General case' 0 C--O 1.22 -0.49 0 CA-C-N 115.196 -0.911 . . . . 10.0 109.014 177.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 526' ' ' ARG . . . . . . . . . . . . . 82.4 mtt180 -61.09 -35.65 77.55 Favored 'General case' 0 C--O 1.227 -0.107 0 O-C-N 123.471 0.482 . . . . 10.0 109.784 178.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -64.7 -40.12 94.82 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 108.671 -0.863 . . . . 10.0 108.671 178.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 528' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -71.48 -46.41 59.95 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.751 -1.113 . . . . 10.0 109.849 179.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 95.1 mt -59.4 -39.53 83.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.62 179.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -62.89 -46.79 86.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 10.0 110.166 179.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -65.37 -41.62 93.58 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.183 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -64.33 -45.33 88.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.017 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 55.8 mt -65.85 -37.64 86.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.058 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -64.46 -40.05 94.98 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 115.928 -0.578 . . . . 10.0 109.523 178.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -64.37 -42.99 95.9 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 108.571 -0.899 . . . . 10.0 108.571 178.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 95.4 mt -65.19 -26.78 68.29 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.615 -0.721 . . . . 10.0 110.629 179.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -80.4 -37.69 31.74 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.866 -0.42 . . . . 10.0 109.866 178.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -70.67 -56.78 5.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 10.0 109.948 178.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 10.4 m-20 -66.55 -36.04 81.69 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.34 -0.615 . . . . 10.0 109.34 179.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -66.2 -41.0 95.08 Favored Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 111.17 -0.772 . . . . 10.0 111.17 179.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -63.35 -43.06 98.92 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 110.215 -1.154 . . . . 10.0 110.215 178.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -63.88 -46.52 84.54 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.938 -0.764 . . . . 10.0 108.938 178.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 53.2 mtt180 -58.5 -37.27 75.23 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.609 179.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 52.2 mt -64.68 -40.9 96.18 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.755 -0.461 . . . . 10.0 109.755 179.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -68.13 -43.46 78.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.836 -0.62 . . . . 10.0 109.418 178.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -62.21 -43.48 98.73 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 115.785 -0.643 . . . . 10.0 109.519 178.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -62.51 -41.27 98.72 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-N 115.852 -0.613 . . . . 10.0 109.486 178.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -62.34 -51.1 68.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.114 179.349 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -61.66 -51.01 70.22 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.022 -0.536 . . . . 10.0 110.955 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.59 -31.19 71.98 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.013 -0.539 . . . . 10.0 111.322 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -63.29 -41.88 99.01 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.649 -0.5 . . . . 10.0 109.649 178.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.87 -41.26 87.58 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.668 -0.493 . . . . 10.0 109.668 178.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -64.38 -46.35 83.71 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.711 -0.477 . . . . 10.0 109.711 178.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 68.3 t60 -61.4 -40.65 95.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.645 -0.707 . . . . 10.0 109.389 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 10.2 tp -64.54 -43.38 94.16 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.54 -0.755 . . . . 10.0 110.421 179.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 20.0 m -63.19 -41.02 99.12 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.298 178.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 7.4 m -70.15 -28.79 65.64 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.451 -0.574 . . . . 10.0 109.451 178.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 14.8 mt -67.45 -51.26 53.62 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.615 -0.721 . . . . 10.0 110.052 179.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 1.2 p -66.92 -36.02 81.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.758 0.313 . . . . 10.0 110.822 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -58.9 -30.83 68.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.878 -0.601 . . . . 10.0 111.226 179.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.25 -40.14 8.09 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 116.351 -0.386 . . . . 10.0 111.044 179.587 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -59.4 -45.21 92.14 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.813 0.671 . . . . 10.0 112.813 -179.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -55.3 -62.64 4.05 Favored Pre-proline 0 N--CA 1.463 0.216 0 N-CA-C 111.898 0.333 . . . . 10.0 111.898 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -61.53 -37.19 72.28 Favored 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 121.5 1.466 . . . . 10.0 111.616 179.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -61.23 -50.28 73.73 Favored 'General case' 0 C--O 1.22 -0.492 0 C-N-CA 121.362 -0.135 . . . . 10.0 110.682 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 42.6 mt -60.26 -43.74 95.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.68 0.276 . . . . 10.0 110.921 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -64.62 -52.26 58.38 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.209 0.528 . . . . 10.0 110.635 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -65.21 -40.06 93.63 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.828 -0.624 . . . . 10.0 112.365 -178.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 52.3 mt -62.98 -45.27 93.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.775 0.321 . . . . 10.0 110.354 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 60.6 mtt85 -66.72 -40.6 88.48 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.018 0.437 . . . . 10.0 110.405 179.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -66.54 -24.19 66.34 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.223 0.535 . . . . 10.0 110.266 178.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -89.9 -30.67 12.44 Favored Glycine 0 N--CA 1.443 -0.836 0 N-CA-C 110.697 -0.961 . . . . 10.0 110.697 178.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 28.5 mt -68.87 -37.25 78.95 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.533 -0.333 . . . . 10.0 110.881 179.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 96.7 mt -50.28 -61.91 3.23 Favored Pre-proline 0 CA--C 1.536 0.422 0 N-CA-C 112.882 0.697 . . . . 10.0 112.882 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -65.36 -33.55 47.31 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 121.887 1.724 . . . . 10.0 111.345 179.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 4.0 t -65.14 -45.62 93.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.644 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 72.0 mt -60.89 -40.6 93.64 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.465 -0.334 . . . . 10.0 110.102 179.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -64.4 -42.89 95.85 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.654 -0.498 . . . . 10.0 109.654 178.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 46.0 m -63.55 -40.72 97.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.0 -0.545 . . . . 10.0 109.751 178.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -64.47 -42.41 95.93 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.984 -0.553 . . . . 10.0 109.874 178.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -57.79 -49.36 76.87 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.182 178.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 91.3 t -60.37 -41.92 89.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.577 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 14.5 m -66.6 -40.06 88.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.677 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -69.82 -41.14 75.37 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.771 179.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 46.8 mt -59.69 -51.33 70.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 10.0 111.088 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 18.3 p -64.08 -30.9 71.94 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.974 0.416 . . . . 10.0 110.659 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -69.92 -51.87 29.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.365 -0.38 . . . . 10.0 110.041 179.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 94.9 mt -59.92 -44.41 94.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.052 -0.522 . . . . 10.0 111.648 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -58.82 -53.15 61.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.878 0.37 . . . . 10.0 111.047 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 590' ' ' GLU . . . . . 0.424 ' CD ' ' HZ2' ' A' ' 395' ' ' LYS . 15.2 mt-10 -64.49 -36.46 84.25 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.454 -0.339 . . . . 10.0 111.908 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 3.1 m-30 -61.88 -43.46 98.79 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 116.264 -0.425 . . . . 10.0 110.421 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 9.9 m -65.83 -31.05 71.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.813 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -75.11 -47.72 27.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.22 -0.445 . . . . 10.0 111.012 179.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.17 -38.03 72.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.312 -179.681 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 44.2 mt -98.68 50.43 0.98 Allowed 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.458 -0.571 . . . . 10.0 109.458 179.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 . . . . . 0 C--N 1.322 -0.599 0 CA-C-N 115.852 -0.613 . . . . 10.0 111.448 -179.29 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 6.8 m . . . . . 0 C--O 1.235 0.305 0 CA-C-O 120.79 0.329 . . . . 10.0 111.008 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.45 128.34 34.53 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 121.144 -0.222 . . . . 10.0 110.427 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -92.69 133.03 36.41 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.738 -0.468 . . . . 10.0 109.738 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -130.48 114.46 15.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.988 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 47.3 mttm -86.65 111.43 20.65 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.8 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 20.6 mt -117.95 122.98 44.65 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.522 -179.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 54.5 t -104.8 125.53 59.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-O 120.865 0.364 . . . . 10.0 110.925 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 21.3 t -85.61 119.62 34.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 108.92 -0.771 . . . . 10.0 108.92 179.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.0 m -125.9 151.81 32.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.964 0.411 . . . . 10.0 111.596 -178.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 156.18 176.31 28.15 Favored Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 115.808 -0.633 . . . . 10.0 111.533 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.74 -169.27 0.54 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.232 0.539 . . . . 10.0 111.993 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -94.69 152.93 18.07 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.608 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 70.27 16.72 73.52 Favored Glycine 0 N--CA 1.45 -0.376 0 CA-C-N 115.885 -0.598 . . . . 10.0 112.985 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 33.7 m -93.1 -22.09 5.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.752 0.311 . . . . 10.0 111.113 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 101.12 22.36 10.78 Favored Glycine 0 CA--C 1.52 0.347 0 C-N-CA 120.987 -0.625 . . . . 10.0 114.516 179.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 31.2 mtmm -54.07 -56.93 13.39 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 117.248 0.524 . . . . 10.0 112.049 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 49.2 m -63.41 -50.08 71.22 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.08 -0.509 . . . . 10.0 112.322 -179.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.14 -48.38 73.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.62 -0.264 . . . . 10.0 111.356 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 54.6 tp -58.01 -38.32 75.94 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.921 0.391 . . . . 10.0 110.59 179.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 30.6 m -69.66 -42.28 74.41 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.421 179.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 98.9 mt -66.37 -34.85 72.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.968 -0.56 . . . . 10.0 110.431 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -61.27 -23.54 65.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.889 -0.596 . . . . 10.0 111.027 179.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 11.3 tp -96.7 -40.14 9.13 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.367 -0.379 . . . . 10.0 111.248 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 40.0 mm -72.06 -65.31 0.67 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.368 0 CA-C-N 116.255 -0.429 . . . . 10.0 112.11 -179.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -90.71 -16.96 27.58 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.102 0.477 . . . . 10.0 111.084 -178.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 58.8 m-80 69.74 55.13 0.36 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.324 -0.853 . . . . 10.0 113.115 179.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -166.09 165.66 17.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.383 -0.371 . . . . 10.0 111.012 179.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -106.48 142.98 35.25 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.385 0.612 . . . . 10.0 112.079 -179.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 2.0 m -102.81 105.18 17.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.361 -0.836 . . . . 10.0 109.546 179.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -65.26 -45.65 83.68 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.002 -0.544 . . . . 10.0 111.45 -179.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -70.36 150.79 45.93 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.246 -0.434 . . . . 10.0 110.274 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -94.81 137.0 34.46 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.527 -179.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -142.58 103.86 5.42 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.135 178.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -52.06 120.15 6.8 Favored 'Trans proline' 0 CA--C 1.529 0.257 0 C-N-CA 122.851 2.367 . . . . 10.0 111.267 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.9 116.28 27.69 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.584 -0.28 . . . . 10.0 110.797 -178.558 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 43.3 mm -83.2 -43.58 18.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 123.663 0.602 . . . . 10.0 111.243 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -162.84 109.31 1.2 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.853 0.359 . . . . 10.0 111.302 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -124.63 136.57 54.04 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.441 -0.345 . . . . 10.0 110.469 179.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 10.8 m -106.49 130.25 54.31 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.675 0.274 . . . . 10.0 111.306 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 99.4 m-85 -130.71 124.73 32.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.414 -0.357 . . . . 10.0 110.551 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -117.98 129.82 55.82 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.793 0.33 . . . . 10.0 111.098 179.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 45.6 tttp -143.41 136.16 27.5 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.462 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -101.04 114.09 27.7 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.279 -0.418 . . . . 10.0 109.976 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 15.4 m -131.99 169.02 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.059 0.457 . . . . 10.0 111.089 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 84.6 t -102.75 119.29 50.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 109.64 -0.504 . . . . 10.0 109.64 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 49.3 mt -120.48 118.57 57.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.681 -0.236 . . . . 10.0 110.41 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 61.24 23.79 13.97 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 116.027 -0.533 . . . . 10.0 111.972 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.0 4.24 72.28 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.82 -0.705 . . . . 10.0 112.113 -179.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -115.65 118.75 33.95 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.947 -0.39 . . . . 10.0 109.947 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -68.23 119.39 12.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.56 -0.291 . . . . 10.0 110.276 179.658 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 28.4 m -125.14 142.38 51.53 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.14 0.495 . . . . 10.0 112.165 -179.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 47.7 tp -100.22 110.24 22.5 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 107.743 -1.206 . . . . 10.0 107.743 178.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 80.0 mt -84.59 120.95 26.94 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 112.88 0.696 . . . . 10.0 112.88 -177.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -102.63 77.63 1.63 Allowed 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 107.143 -1.428 . . . . 10.0 107.143 177.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 72.0 mt -87.37 131.86 34.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.345 -0.843 . . . . 10.0 112.192 -177.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 44.0 tp -119.14 116.44 26.34 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.479 -0.782 . . . . 10.0 110.857 179.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -91.46 113.64 25.96 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.369 -0.975 . . . . 10.0 108.369 178.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 39.1 p -100.56 -177.91 3.63 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.559 0.577 . . . . 10.0 112.559 -178.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -81.19 -176.35 5.93 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.336 0.588 . . . . 10.0 111.909 -179.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -151.49 28.56 0.96 Allowed Glycine 0 N--CA 1.445 -0.738 0 N-CA-C 110.351 -1.1 . . . . 10.0 110.351 179.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 -100.78 8.55 43.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.353 -0.423 . . . . 10.0 111.653 -179.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.526 ' CG ' ' H ' ' B' ' 63' ' ' GLU . 11.1 tp10 59.57 -152.75 0.39 Allowed 'General case' 0 N--CA 1.466 0.33 0 O-C-N 123.706 0.629 . . . . 10.0 110.121 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . 0.526 ' H ' ' CG ' ' B' ' 62' ' ' GLU . 0.5 OUTLIER 72.93 -49.55 0.7 Allowed 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 112.851 0.686 . . . . 10.0 112.851 179.273 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -76.87 81.36 3.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.915 0.388 . . . . 10.0 111.919 -179.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 17.8 m -84.62 -31.92 23.99 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.106 0.479 . . . . 10.0 110.325 179.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.13 -39.48 33.48 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.736 -0.665 . . . . 10.0 110.865 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 23.6 ttt -65.52 -39.36 91.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.097 0.475 . . . . 10.0 109.951 179.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 26.8 ttp180 -62.26 -40.94 97.89 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 115.625 -0.716 . . . . 10.0 110.316 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -60.13 -38.04 81.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.706 -0.679 . . . . 10.0 110.437 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -62.77 -58.86 5.97 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.022 -0.536 . . . . 10.0 112.355 -178.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -67.28 -19.65 65.52 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 113.704 1.001 . . . . 10.0 113.704 -178.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 35.4 mtt -70.37 -24.47 62.97 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.149 0.499 . . . . 10.0 110.898 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -77.01 -49.78 14.64 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.0 -0.546 . . . . 10.0 110.152 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.37 -37.72 83.62 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.555 -0.748 . . . . 10.0 111.826 -179.315 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.63 125.47 20.15 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.896 -0.669 . . . . 10.0 112.323 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -88.75 -41.35 12.6 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.264 0.554 . . . . 10.0 109.677 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -117.0 145.76 18.75 Favored Glycine 0 N--CA 1.443 -0.849 0 N-CA-C 110.284 -1.126 . . . . 10.0 110.284 178.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -120.9 142.18 49.93 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.179 0.514 . . . . 10.0 112.105 -178.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 12.3 tp -113.06 97.27 6.41 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.535 -0.757 . . . . 10.0 110.126 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 29.8 m -79.42 97.87 6.54 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.145 -0.479 . . . . 10.0 110.147 179.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 48.0 t -105.05 121.47 57.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.871 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 38.5 p90 -130.32 165.67 21.99 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.667 -0.697 . . . . 10.0 110.279 179.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -101.98 127.92 48.63 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.169 -0.678 . . . . 10.0 109.169 178.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 43.9 pt -68.27 -8.72 9.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.926 0.393 . . . . 10.0 111.638 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -102.86 8.99 39.13 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.423 179.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 38.1 t-20 -135.13 115.96 14.0 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.506 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.01 -30.15 62.31 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.772 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -59.83 -42.61 93.95 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.849 179.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.28 -34.67 76.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 10.0 111.414 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -65.67 -43.87 87.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.66 0.267 . . . . 10.0 111.377 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -70.25 -31.2 68.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.361 -0.381 . . . . 10.0 110.277 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.51 -32.09 72.11 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.809 -0.632 . . . . 10.0 111.243 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 51.8 mm -58.53 -38.13 68.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.001 -0.545 . . . . 10.0 111.086 -179.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -65.52 -51.37 60.47 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.997 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -63.49 -34.46 77.81 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.875 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -69.89 -41.83 74.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.45 179.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 47.0 ttt-85 -64.93 -41.7 95.31 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.537 -179.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -59.56 -40.09 86.18 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.374 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -66.29 -43.09 87.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.359 -0.382 . . . . 10.0 110.998 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 77.3 mt -54.52 -45.63 70.95 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 CA-C-O 121.282 0.563 . . . . 10.0 110.696 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 38.4 mtmt -59.81 -39.38 84.83 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.659 -0.7 . . . . 10.0 111.902 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 7.3 tmm_? -74.51 -43.77 54.4 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.39 -0.368 . . . . 10.0 111.507 -179.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 93.0 t -61.66 -45.97 97.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.1 -0.5 . . . . 10.0 112.185 -179.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -85.72 -7.24 58.91 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.937 0.347 . . . . 10.0 111.937 -179.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 4.3 t70 59.6 50.66 7.08 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 123.695 0.622 . . . . 10.0 111.44 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 58.0 m -156.56 131.89 9.29 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.016 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . 0.484 ' CD ' ' HZ3' ' C' ' 184' ' ' LYS . 3.7 tp10 -73.62 -28.32 61.74 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.302 -0.629 . . . . 10.0 109.302 179.33 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -90.12 119.16 30.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.315 -0.857 . . . . 10.0 111.056 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 4.6 t -133.05 112.97 13.46 Favored Pre-proline 0 C--O 1.239 0.533 0 CA-C-N 115.817 -0.628 . . . . 10.0 110.203 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.73 106.36 1.08 Allowed 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 122.512 2.141 . . . . 10.0 111.371 179.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 59.0 mtm -147.09 161.35 41.02 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.297 -179.214 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 93.4 t -133.73 134.15 56.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.153 -0.684 . . . . 10.0 109.153 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 13.3 tp -77.53 124.85 28.45 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.997 -0.371 . . . . 10.0 109.997 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 95.7 t -120.53 122.87 69.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.308 -0.405 . . . . 10.0 111.136 -179.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -114.36 111.36 2.56 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 110.304 -1.118 . . . . 10.0 110.304 178.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -97.81 165.22 12.05 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.576 0.227 . . . . 10.0 110.768 -179.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 53.6 mttt 72.28 28.42 2.38 Favored 'General case' 0 C--O 1.232 0.17 0 N-CA-C 112.734 0.642 . . . . 10.0 112.734 179.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 79.3 m -65.89 -15.88 63.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.948 0.404 . . . . 10.0 111.517 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -82.85 -3.12 56.42 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.159 -0.473 . . . . 10.0 111.492 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 17.7 mt -79.82 142.09 56.2 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.418 -0.355 . . . . 10.0 110.104 178.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -74.94 141.29 26.63 Favored 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 122.535 2.157 . . . . 10.0 112.359 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 16.5 m 58.32 78.42 0.25 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.522 -0.763 . . . . 10.0 112.536 179.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 12.6 ptp180 -87.2 137.83 32.01 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.451 -0.341 . . . . 10.0 110.249 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 10.5 m -75.15 -53.48 8.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.653 0.263 . . . . 10.0 110.467 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 60.9 t -81.52 103.21 8.28 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 N-CA-C 109.726 -0.472 . . . . 10.0 109.726 179.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -75.18 164.2 26.73 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.827 -0.624 . . . . 10.0 110.479 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.06 -39.62 93.53 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 112.355 0.502 . . . . 10.0 112.355 -179.141 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 39.6 pttt -52.24 -48.64 65.07 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 113.732 1.012 . . . . 10.0 113.732 -178.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.56 -42.36 95.73 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.06 0.393 . . . . 10.0 112.06 -179.301 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -71.15 -36.87 72.22 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.223 -0.444 . . . . 10.0 111.09 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -66.36 -47.88 71.98 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.307 -0.406 . . . . 10.0 111.154 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -64.36 -35.66 81.59 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.786 0.327 . . . . 10.0 110.759 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 18.6 tp -65.7 -42.07 91.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.161 0.505 . . . . 10.0 110.263 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.83 -31.15 71.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.773 -0.649 . . . . 10.0 110.58 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -60.77 -42.42 97.45 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.682 -0.69 . . . . 10.0 110.685 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 17.0 m -67.91 -28.8 67.81 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.061 0.458 . . . . 10.0 111.903 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -85.64 -24.16 27.2 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.413 -0.358 . . . . 10.0 111.249 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 84.68 34.6 15.5 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.965 -0.636 . . . . 10.0 111.582 -179.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 47.1 pt -128.53 158.05 73.0 Favored Pre-proline 0 C--N 1.327 -0.389 0 N-CA-C 110.182 -0.303 . . . . 10.0 110.182 -179.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -87.55 157.95 7.85 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.525 2.15 . . . . 10.0 112.122 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -133.86 114.13 12.99 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.957 -0.565 . . . . 10.0 109.795 179.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 40.2 mt -117.53 130.42 72.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.506 -0.316 . . . . 10.0 110.399 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -65.01 136.18 56.48 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 108.896 -0.779 . . . . 10.0 108.896 178.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 26.0 m -130.23 147.19 51.93 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.366 0.603 . . . . 10.0 112.476 -177.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 40.0 t -143.63 102.64 3.96 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.897 -0.779 . . . . 10.0 108.897 177.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -68.66 -32.39 72.18 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.069 0.461 . . . . 10.0 110.205 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 31.1 tttp -54.71 -41.75 70.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.463 -0.79 . . . . 10.0 111.916 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.82 11.7 24.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.421 . . . . 10.0 111.817 -179.241 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 50.5 60.28 3.96 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.389 0.614 . . . . 10.0 111.476 -179.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -130.61 119.76 22.98 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.82 -0.627 . . . . 10.0 111.375 -178.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 80.77 -4.8 67.76 Favored Glycine 0 C--O 1.229 -0.188 0 C-N-CA 121.195 -0.526 . . . . 10.0 113.214 178.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 31.6 t -63.59 -55.95 19.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.064 0.459 . . . . 10.0 110.822 -179.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -63.34 -39.59 94.96 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.748 -0.66 . . . . 10.0 111.673 -179.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -57.99 -52.14 66.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.152 -179.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.23 -43.91 95.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 10.0 111.702 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -61.2 -42.96 99.51 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.121 -0.491 . . . . 10.0 111.344 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 21.8 m-30 -67.82 -42.54 81.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.344 -0.389 . . . . 10.0 110.264 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 94.2 m -60.4 -39.84 88.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.092 -0.504 . . . . 10.0 111.167 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 20.9 tp -57.13 -46.49 82.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.096 0.474 . . . . 10.0 111.09 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 53.6 t -74.05 -34.77 39.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.258 0.551 . . . . 10.0 110.409 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 10.3 ttp180 -62.05 -41.73 98.45 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.637 -0.71 . . . . 10.0 111.293 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -61.4 -35.82 78.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.783 0.325 . . . . 10.0 110.924 179.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 66.2 mt -66.58 -41.53 88.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 109.707 -0.479 . . . . 10.0 109.707 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 38.0 ttm105 -70.27 -32.56 70.44 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.077 -0.511 . . . . 10.0 110.082 179.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -63.22 -42.97 99.34 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.895 -0.593 . . . . 10.0 109.949 179.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -59.07 -37.44 77.06 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.052 -0.522 . . . . 10.0 111.05 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 76.2 mttt -62.34 -48.23 80.73 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.967 0.413 . . . . 10.0 110.406 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -64.48 -42.28 95.97 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.671 -0.695 . . . . 10.0 111.149 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 28.4 mmmt -69.18 -29.23 67.18 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.622 -179.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 67.0 mmm -74.36 -9.09 58.25 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.797 0.332 . . . . 10.0 111.87 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 11.1 m -87.04 -29.04 22.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.366 0.603 . . . . 10.0 110.366 179.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -96.47 -33.18 11.96 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.697 -0.683 . . . . 10.0 109.761 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 173' ' ' ASP . . . . . 0.613 ' CG ' ' H ' ' B' ' 174' ' ' GLY 0.337 2.6 p-10 41.39 -110.72 0.13 Allowed 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 114.908 1.448 . . . . 10.0 114.908 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 174' ' ' GLY . . . . . 0.613 ' H ' ' CG ' ' B' ' 173' ' ' ASP . . . -153.15 -48.87 0.02 OUTLIER Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.765 -0.731 . . . . 10.0 112.203 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 175' ' ' LYS . . . . . . . . . . . . . 7.1 mttp -161.35 170.87 19.28 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.51 -0.181 . . . . 10.0 110.51 -178.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 176' ' ' LYS . . . . . 0.406 ' NZ ' ' O11' ' B' ' 203' ' ' PCW . 3.4 tmtm? 72.54 -47.78 0.67 Allowed 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 112.573 0.583 . . . . 10.0 112.573 179.357 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 177' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -90.16 -92.04 0.13 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 119.506 -0.283 . . . . 10.0 110.933 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? 59.25 106.94 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.261 0 O-C-N 123.78 0.675 . . . . 10.0 111.949 -179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 179' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.21 75.08 0.7 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.48 0.657 . . . . 10.0 112.415 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 43.4 mmtt -146.12 105.48 3.93 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.35 -0.841 . . . . 10.0 108.852 178.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -129.35 88.77 2.74 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.382 -0.372 . . . . 10.0 110.261 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 19.3 tptt -114.9 116.42 28.51 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.587 -0.279 . . . . 10.0 111.006 -179.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.46 -57.64 4.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.237 0.541 . . . . 10.0 110.003 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 184' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt . . . . . 0 C--N 1.325 -0.486 0 CA-C-N 115.582 -0.735 . . . . 10.0 110.456 179.818 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 121.059 0.457 . . . . 10.0 110.973 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.23 130.12 36.82 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.674 -179.563 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -97.67 134.97 40.14 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.354 -0.385 . . . . 10.0 110.201 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -126.18 117.67 23.6 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.287 -0.415 . . . . 10.0 109.949 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 51.5 mttm -82.41 114.56 20.94 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.067 -0.515 . . . . 10.0 111.323 -179.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 11.5 mt -110.71 117.24 32.94 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.595 -0.729 . . . . 10.0 110.758 -178.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 48.0 t -102.54 117.67 48.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 120.743 0.306 . . . . 10.0 110.884 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 24.6 t -87.61 111.67 22.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 109.507 -0.553 . . . . 10.0 109.507 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 11.7 m -119.54 154.98 22.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.433 -0.349 . . . . 10.0 111.137 -179.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 154.72 -176.2 32.55 Favored Glycine 0 N--CA 1.443 -0.873 0 N-CA-C 110.889 -0.884 . . . . 10.0 110.889 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.1 -173.3 1.25 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.029 0.442 . . . . 10.0 111.753 -179.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -97.62 143.86 27.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 68.57 26.22 74.52 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.864 -0.684 . . . . 10.0 112.678 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 26.8 m -99.41 -12.19 8.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 111.983 0.364 . . . . 10.0 111.983 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 105.33 23.38 7.66 Favored Glycine 0 CA--C 1.516 0.097 0 C-N-CA 120.825 -0.702 . . . . 10.0 113.246 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 12.4 mtmm -62.0 -42.5 99.22 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.981 0.42 . . . . 10.0 111.937 -179.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 17' ' ' SER . . . . . 0.457 ' OG ' ' O3G' ' C' ' 201' ' ' GSP . 46.1 m -85.45 -34.91 21.55 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.323 -0.399 . . . . 10.0 111.29 -178.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.82 -43.72 90.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.015 0.436 . . . . 10.0 110.252 179.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.3 -49.62 76.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.78 -0.646 . . . . 10.0 110.535 179.337 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 4.5 m -64.06 -45.93 86.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.859 -0.61 . . . . 10.0 112.368 -179.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 97.4 mt -62.76 -37.72 79.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 CA-C-O 120.786 0.327 . . . . 10.0 110.996 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -65.34 -16.7 63.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.903 0.382 . . . . 10.0 110.703 179.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 2.6 tp -98.7 -42.97 6.99 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.954 0.407 . . . . 10.0 110.931 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 50.8 mm -74.07 -58.94 3.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.842 -0.617 . . . . 10.0 112.092 -179.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -95.88 -17.67 20.92 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.646 0.26 . . . . 10.0 111.558 -179.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 67.99 49.2 0.91 Allowed 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 113.496 0.924 . . . . 10.0 113.496 177.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 9.1 p80 -153.17 151.76 30.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.488 -0.324 . . . . 10.0 110.345 178.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -92.5 131.4 37.67 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.384 0.611 . . . . 10.0 111.806 -179.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 21.3 t -97.13 114.79 35.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.607 -0.724 . . . . 10.0 109.074 178.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -72.35 -33.29 67.17 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.338 -0.392 . . . . 10.0 110.603 -179.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -79.45 161.22 26.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 10.0 111.367 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -106.0 120.36 41.56 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.344 -0.389 . . . . 10.0 110.312 179.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -114.12 111.75 47.41 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 116.467 -0.333 . . . . 10.0 111.271 179.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -72.74 78.06 2.15 Favored 'Trans proline' 0 N--CA 1.461 -0.398 0 C-N-CA 122.828 2.352 . . . . 10.0 111.005 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.34 121.9 19.34 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.673 -0.694 . . . . 10.0 111.288 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 43.5 mm -71.31 -46.56 64.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 O-C-N 123.7 0.625 . . . . 10.0 110.007 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -166.83 101.67 0.56 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.329 -0.851 . . . . 10.0 109.295 -179.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -119.34 115.33 23.9 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.842 0.353 . . . . 10.0 111.597 -178.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.25 145.37 24.72 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.269 179.673 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -138.03 140.41 40.09 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.41 -0.359 . . . . 10.0 110.28 179.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -118.05 136.61 53.44 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.871 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 40.0 tttp -151.52 125.41 9.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.342 -0.39 . . . . 10.0 110.532 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -98.4 115.35 28.3 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.517 -0.549 . . . . 10.0 109.517 179.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 2.0 m -135.5 164.44 32.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.95 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 68.9 t -103.47 104.25 16.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 109.473 -0.566 . . . . 10.0 109.473 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 34.4 mt -112.8 131.31 64.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.719 -0.673 . . . . 10.0 109.513 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 61.97 20.31 11.44 Favored 'General case' 0 C--N 1.328 -0.33 0 O-C-N 123.675 0.61 . . . . 10.0 110.279 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.84 7.63 85.45 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.935 -0.65 . . . . 10.0 111.99 -178.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -115.2 127.1 55.3 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.782 0.325 . . . . 10.0 110.625 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -68.88 114.5 7.25 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.705 -0.85 . . . . 10.0 108.705 178.359 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 18.2 m -121.56 148.19 44.83 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.056 0.455 . . . . 10.0 111.866 -178.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 65.4 tp -107.67 120.52 42.46 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 108.564 -0.902 . . . . 10.0 108.564 178.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 22.0 mt -88.19 120.6 29.7 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 112.484 0.55 . . . . 10.0 112.484 -178.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -106.65 74.65 1.02 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 106.918 -1.512 . . . . 10.0 106.918 177.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 8.5 mt -79.4 143.55 12.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.397 -0.82 . . . . 10.0 112.394 -177.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 24.9 tp -133.14 107.59 8.29 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.596 -0.729 . . . . 10.0 110.697 179.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -86.86 116.75 25.14 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.275 -0.639 . . . . 10.0 109.275 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 70.6 p -105.8 174.18 5.99 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.02 0.378 . . . . 10.0 112.02 -178.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -94.8 140.06 30.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.413 -0.358 . . . . 10.0 110.118 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -111.48 36.54 4.14 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.577 -0.82 . . . . 10.0 112.376 -179.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -103.27 22.49 14.04 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.981 0.42 . . . . 10.0 110.814 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 59.62 -154.82 0.36 Allowed 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.373 -0.83 . . . . 10.0 111.755 -179.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 73.7 -46.77 0.64 Allowed 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.29 0.636 . . . . 10.0 112.069 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -76.19 65.79 2.22 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.253 0.464 . . . . 10.0 112.253 -179.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.87 -40.87 62.92 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 121.037 0.446 . . . . 10.0 110.218 179.108 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -77.46 -40.24 43.89 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.92 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 19.1 ttt -63.61 -38.32 90.67 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.325 0.584 . . . . 10.0 110.087 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 68' ' ' ARG . . . . . . . . . . . . . 22.8 ttp180 -62.36 -34.93 77.62 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.862 -0.608 . . . . 10.0 110.52 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -70.41 -23.84 62.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.514 -0.766 . . . . 10.0 111.154 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -81.12 -56.32 4.17 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.652 0.612 . . . . 10.0 112.652 -179.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 71' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -66.48 -23.54 66.28 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 113.033 0.753 . . . . 10.0 113.033 -178.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 41.7 mtt -78.32 -8.56 58.55 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.409 0.623 . . . . 10.0 110.671 178.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 16.4 ttm180 -86.61 -49.64 7.38 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.095 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -75.57 -32.06 60.25 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.248 0.462 . . . . 10.0 112.248 -179.293 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.39 144.37 47.34 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 121.091 -0.576 . . . . 10.0 113.188 -179.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -101.13 -62.49 1.24 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.901 0.382 . . . . 10.0 110.147 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -97.4 129.48 9.91 Favored Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 111.105 -0.798 . . . . 10.0 111.105 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 78' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -107.62 126.48 52.62 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.008 0.432 . . . . 10.0 111.522 -179.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 14.5 tp -97.88 104.54 16.58 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.587 -0.733 . . . . 10.0 109.644 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 1.7 m -84.49 88.53 7.31 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.366 -0.379 . . . . 10.0 110.108 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 57.2 t -92.67 116.57 34.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.046 0.45 . . . . 10.0 110.925 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 7.2 p90 -132.22 145.55 51.4 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.008 -0.542 . . . . 10.0 110.63 179.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -83.56 125.31 31.66 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.52 -0.548 . . . . 10.0 109.52 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 84' ' ' ILE . . . . . . . . . . . . . 8.9 pt -70.15 -12.41 16.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 112.087 0.403 . . . . 10.0 112.087 -179.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 18.6 p-10 -91.96 -5.65 52.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.053 -0.522 . . . . 10.0 110.613 179.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -123.3 112.65 17.87 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.075 0.465 . . . . 10.0 110.066 179.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.3 -31.31 72.43 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.787 -0.642 . . . . 10.0 112.136 -179.135 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 23.0 tptp -61.05 -39.35 89.49 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.23 0.456 . . . . 10.0 112.23 -179.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.93 -36.83 84.7 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.675 0.274 . . . . 10.0 111.253 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -66.47 -39.78 88.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.466 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -67.88 -42.2 81.62 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.396 179.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -63.02 -24.03 67.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.596 -0.729 . . . . 10.0 112.477 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 23.5 mm -57.71 -45.63 86.79 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-O 120.917 0.389 . . . . 10.0 110.653 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 65.9 t60 -65.83 -47.93 73.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.181 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -57.57 -41.44 81.09 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.819 -0.628 . . . . 10.0 111.229 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 9.9 m-30 -70.2 -37.26 75.06 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.642 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 28.0 ttt-85 -65.72 -41.0 92.79 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 120.957 0.408 . . . . 10.0 110.474 179.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -59.42 -39.12 82.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.568 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -66.4 -45.33 80.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.107 179.095 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 95.7 mt -55.57 -47.75 78.36 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.599 179.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 10.9 mtmt -60.85 -35.45 76.61 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.658 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 5.8 tmm_? -71.43 -46.28 60.49 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.894 -0.593 . . . . 10.0 110.935 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 99.4 t -61.63 -49.66 83.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.048 -0.523 . . . . 10.0 111.497 -179.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 17.1 mtpp -87.18 -6.47 58.61 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.638 0.607 . . . . 10.0 112.638 -178.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 22.7 t0 52.24 45.48 28.34 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.228 0.611 . . . . 10.0 111.932 -179.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 67.2 m -150.59 145.75 26.11 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.258 -0.883 . . . . 10.0 109.816 179.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -86.01 -43.25 13.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.117 0.484 . . . . 10.0 110.068 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -78.7 97.91 6.04 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.472 -0.785 . . . . 10.0 110.758 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 72.1 t -129.24 130.55 23.37 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 115.899 -0.591 . . . . 10.0 110.502 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_exo -63.05 107.06 0.59 Allowed 'Trans proline' 0 C--O 1.236 0.379 0 C-N-CA 122.815 2.343 . . . . 10.0 111.432 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 111' ' ' MET . . . . . . . . . . . . . 6.3 mtm -132.99 151.3 52.09 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.576 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 46.3 t -128.67 115.53 37.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.069 -0.514 . . . . 10.0 109.739 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 18.9 tp -82.56 112.29 19.33 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.578 -0.527 . . . . 10.0 109.578 179.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 59.9 t -115.37 124.2 71.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 116.031 -0.531 . . . . 10.0 111.705 -178.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -99.58 113.47 4.73 Favored Glycine 0 N--CA 1.441 -0.985 0 N-CA-C 109.669 -1.373 . . . . 10.0 109.669 178.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 116' ' ' ASN . . . . . 0.416 ' ND2' ' N7 ' ' C' ' 201' ' ' GSP . 65.3 t30 -98.71 164.63 12.15 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 117.17 0.485 . . . . 10.0 111.153 -178.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 99.6 mttt 66.45 32.43 7.48 Favored 'General case' 0 C--O 1.233 0.227 0 O-C-N 123.757 0.66 . . . . 10.0 111.426 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 118' ' ' CYS . . . . . . . . . . . . . 67.8 m -73.33 -21.52 60.53 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.747 0.647 . . . . 10.0 112.747 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -84.11 -3.77 58.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.791 0.329 . . . . 10.0 111.666 -179.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 29.8 mt -80.34 146.89 63.05 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 116.565 -0.289 . . . . 10.0 110.269 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -70.3 132.78 23.16 Favored 'Trans proline' 0 C--O 1.237 0.454 0 C-N-CA 122.528 2.152 . . . . 10.0 112.629 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 5.1 m 71.92 112.07 0.06 Allowed 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 113.229 0.826 . . . . 10.0 113.229 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 11.0 ptp180 -113.65 138.2 50.53 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.663 -0.699 . . . . 10.0 110.236 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 3.4 p -83.55 -41.9 17.41 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.082 0.468 . . . . 10.0 110.186 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 50.4 t -95.22 106.57 18.39 Favored 'Isoleucine or valine' 0 C--O 1.238 0.469 0 N-CA-C 108.725 -0.842 . . . . 10.0 108.725 178.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -64.92 147.2 53.81 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.793 -0.639 . . . . 10.0 110.045 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.25 -39.24 69.52 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.244 -0.435 . . . . 10.0 111.265 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 36.6 mtmm -64.6 -44.28 91.09 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.383 0.512 . . . . 10.0 112.383 -178.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -74.83 -26.93 60.05 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.732 0.301 . . . . 10.0 111.706 -179.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -75.27 -41.33 57.5 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.387 0.613 . . . . 10.0 109.822 179.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -74.24 -31.69 62.69 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.728 -0.669 . . . . 10.0 111.328 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -59.81 -38.34 81.71 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.151 0.5 . . . . 10.0 110.712 179.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 28.4 tp -63.3 -38.83 92.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.793 -0.64 . . . . 10.0 110.334 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -68.9 -22.91 64.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.569 -0.741 . . . . 10.0 110.996 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -62.96 -46.88 85.67 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.064 -0.516 . . . . 10.0 111.166 179.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 71.7 m -72.53 -25.83 61.53 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.233 -0.44 . . . . 10.0 111.306 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 12.6 m-30 -78.27 -45.65 22.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.998 0.427 . . . . 10.0 110.853 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 100.95 27.32 7.47 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.775 -0.726 . . . . 10.0 112.142 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 28.6 pt -125.77 148.91 63.96 Favored Pre-proline 0 C--N 1.328 -0.345 0 N-CA-C 110.31 -0.256 . . . . 10.0 110.31 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_exo -75.68 147.17 31.12 Favored 'Trans proline' 0 CA--C 1.534 0.52 0 C-N-CA 123.049 2.5 . . . . 10.0 112.318 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -112.82 137.91 50.45 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.658 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 22.2 mt -131.68 133.05 61.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.461 -0.336 . . . . 10.0 110.754 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -88.23 140.18 29.74 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.889 -0.782 . . . . 10.0 108.889 177.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 38.9 p -139.19 174.93 10.0 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.529 0.68 . . . . 10.0 112.358 -178.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 8.2 t -159.15 121.57 3.54 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.906 -1.043 . . . . 10.0 108.837 178.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -79.02 -25.67 43.25 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 109.679 -0.489 . . . . 10.0 109.679 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -70.76 -48.37 54.73 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.506 -0.77 . . . . 10.0 111.679 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 37.7 p -95.26 -5.23 44.16 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 113.156 0.798 . . . . 10.0 113.156 -178.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.66 54.18 3.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.026 0.441 . . . . 10.0 111.377 -179.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -120.73 140.41 51.69 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.317 -0.401 . . . . 10.0 110.892 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 80.42 -18.91 7.61 Favored Glycine 0 C--O 1.228 -0.268 0 N-CA-C 114.827 0.691 . . . . 10.0 114.827 178.045 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 97.4 t -55.03 -47.65 76.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 117.353 0.576 . . . . 10.0 112.38 -179.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.08 -51.37 69.44 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.857 -179.522 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -60.91 -45.2 95.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.972 -0.558 . . . . 10.0 112.399 -179.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -57.37 -53.09 62.05 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.216 -0.447 . . . . 10.0 112.111 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -66.3 -36.93 84.21 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.125 0.416 . . . . 10.0 112.125 -179.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -67.76 -42.63 81.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.808 0.337 . . . . 10.0 110.984 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 75.1 m -68.45 -31.84 71.42 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.338 -0.392 . . . . 10.0 111.452 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 53.7 tp -59.78 -42.69 93.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.917 0.389 . . . . 10.0 110.393 179.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 90.8 t -70.24 -37.36 71.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.91 -0.586 . . . . 10.0 109.799 179.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 6.4 ttp-105 -61.11 -37.67 83.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.517 -0.765 . . . . 10.0 110.599 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -63.3 -35.95 82.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.95 179.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 54.9 mt -68.01 -40.22 82.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 109.413 -0.588 . . . . 10.0 109.413 178.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 31.3 mtp180 -63.97 -39.77 94.89 Favored 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 108.906 -0.776 . . . . 10.0 108.906 178.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -61.99 -40.92 97.28 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.043 -0.98 . . . . 10.0 109.823 178.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 44.5 t-80 -62.48 -45.79 91.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.296 -0.411 . . . . 10.0 110.467 179.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -57.9 -47.25 83.36 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.273 179.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -65.02 -50.8 64.86 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.823 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 2.3 ttpt -56.67 -43.94 80.91 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.536 -0.756 . . . . 10.0 112.218 -179.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 84.6 mmm -72.13 -20.61 61.59 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.764 0.653 . . . . 10.0 112.764 -179.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 69.3 m -79.59 -15.7 57.19 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.196 0.522 . . . . 10.0 110.307 178.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 22.4 mtpt -114.58 -1.86 13.27 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.619 -0.718 . . . . 10.0 109.645 179.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 173' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 70.82 -63.37 0.42 Allowed 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.454 -0.794 . . . . 10.0 111.312 -178.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . -165.54 -107.69 0.2 Allowed Glycine 0 N--CA 1.443 -0.884 0 N-CA-C 109.926 -1.269 . . . . 10.0 109.926 179.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 175' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -126.32 80.05 1.89 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.397 0.618 . . . . 10.0 110.736 178.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 176' ' ' LYS . . . . . . . . . . . . . 47.9 mtmt -89.04 7.49 34.6 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.812 -0.631 . . . . 10.0 111.123 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 177' ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -85.24 106.06 16.38 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.014 -0.539 . . . . 10.0 110.675 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 178' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt -97.24 -16.25 20.45 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.972 179.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 179' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 72.67 106.07 0.07 Allowed 'General case' 0 N--CA 1.465 0.281 0 O-C-N 123.815 0.697 . . . . 10.0 112.152 179.636 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 180' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.63 -26.66 16.98 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.728 179.142 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 1.3 m -101.25 128.68 47.27 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.4 -0.364 . . . . 10.0 110.81 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 182' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.2 102.21 0.62 Allowed 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.812 -0.44 . . . . 10.0 109.812 179.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -109.28 -16.79 13.97 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.181 -0.463 . . . . 10.0 111.978 -179.176 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 184' ' ' LYS . . . . . 0.484 ' HZ3' ' CD ' ' B' ' 107' ' ' GLU . 46.8 mttp . . . . . 0 C--N 1.321 -0.631 0 CA-C-N 116.417 -0.356 . . . . 10.0 111.047 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 401' ' ' PCW . . . . . 0.567 ' C22' ' C18' ' A' ' 401' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 402' ' ' PCW . . . . . 0.498 ' C8 ' ' C3 ' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 403' ' ' PCW . . . . . 0.58 ' C3 ' ' O1P' ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 404' ' ' PCW . . . . . 0.652 ' C31' ' C35' ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 405' ' ' PCW . . . . . 0.472 ' O2 ' ' O2P' ' A' ' 405' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 406' ' ' PCW . . . . . 0.501 ' O3P' ' O31' ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 407' ' ' PCW . . . . . 0.708 ' C21' ' C17' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 408' ' ' PCW . . . . . 0.663 ' C3 ' ' O1P' ' A' ' 408' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 409' ' ' PCW . . . . . 0.789 ' C14' ' C19' ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 410' ' ' PCW . . . . . 0.425 ' C22' ' C41' ' A' ' 422' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 411' ' ' PCW . . . . . 0.555 ' O2P' ' N1 ' ' B' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 412' ' ' PCW . . . . . 0.46 ' O31' ' O3 ' ' A' ' 412' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 413' ' ' PCW . . . . . 0.501 ' C15' ' C35' ' A' ' 408' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 414' ' ' PCW . . . . . 0.664 ' C47' ' C43' ' A' ' 414' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 415' ' ' 17F . . . . . 0.528 ' C2 ' ' O1 ' ' A' ' 415' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 416' ' ' 17F . . . . . 0.593 ' C17' ' C7 ' ' A' ' 416' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 417' ' ' PCW . . . . . 0.452 ' C2 ' ' O11' ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 418' ' ' PCW . . . . . 0.58 ' C6 ' ' O4P' ' A' ' 418' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 419' ' ' PCW . . . . . 0.492 ' C40' ' C44' ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 420' ' ' PCW . . . . . 0.642 ' C24' ' C20' ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 421' ' ' PCW . . . . . 0.53 ' C6 ' ' O8 ' ' D' ' 630' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 422' ' ' 17F . . . . . 0.463 ' C6 ' ' C14' ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 601' ' ' PCW . . . . . 0.644 ' C42' ' C46' ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 602' ' ' PCW . . . . . 0.568 ' C3 ' ' O31' ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 603' ' ' PCW . . . . . 0.623 ' O2 ' ' O1P' ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 604' ' ' PCW . . . . . 0.683 ' C11' ' C31' ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 605' ' ' PCW . . . . . 0.675 ' O31' ' P ' ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 606' ' ' PCW . . . . . 0.597 ' C5 ' ' O11' ' D' ' 606' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 607' ' ' PCW . . . . . 0.647 ' C1 ' ' C37' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 608' ' ' PCW . . . . . 0.512 ' O1P' ' C21' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 609' ' ' PCW . . . . . 0.549 ' C11' ' O31' ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 610' ' ' PCW . . . . . 0.629 ' C20' ' C24' ' D' ' 610' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 611' ' ' PCW . . . . . 0.451 ' O3 ' ' O31' ' D' ' 611' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 612' ' ' PCW . . . . . 0.592 ' C3 ' ' O11' ' D' ' 620' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 613' ' ' PCW . . . . . 0.564 ' O31' ' O3P' ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 614' ' ' PCW . . . . . 0.54 ' C6 ' ' O31' ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 615' ' ' PCW . . . . . 0.657 ' C46' ' C42' ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 616' ' ' PCW . . . . . 0.49 ' O31' ' O3 ' ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 617' ' ' PCW . . . . . 0.606 ' C3 ' ' O2P' ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 618' ' ' PCW . . . . . 0.624 ' C23' ' C27' ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 619' ' ' PCW . . . . . 0.517 ' C16' ' C39' ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 620' ' ' PCW . . . . . 0.592 ' O11' ' C3 ' ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 621' ' ' PCW . . . . . 0.54 ' O31' ' O3P' ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 622' ' ' PCW . . . . . 0.686 ' O1P' ' C3 ' ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 623' ' ' PCW . . . . . 0.706 ' C32' ' C36' ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 624' ' ' PCW . . . . . 0.628 ' C24' ' C20' ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 625' ' ' PCW . . . . . 0.571 ' O1P' ' C5 ' ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 626' ' ' PCW . . . . . 0.663 ' C23' ' C27' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 627' ' ' PCW . . . . . 0.547 ' C20' ' C35' ' C' ' 217' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 628' ' ' 17F . . . . . 0.645 ' C31' ' C19' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 629' ' ' 17F . . . . . 0.587 ' O7 ' ' C17' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 630' ' ' 17F . . . . . 0.53 ' O8 ' ' C6 ' ' A' ' 421' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 631' ' ' 17F . . . . . 0.568 ' O1 ' ' C6 ' ' D' ' 610' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 632' ' ' 17F . . . . . 0.443 ' C6 ' ' O10' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 201' ' ' GSP . . . . . 0.608 ' O3G' 'MG ' ' B' ' 202' ' ' ' MG' . . . . . . . . 0 O4'--C1' 1.439 2.051 2 O4'-C1'-N19 113.425 5.225 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 202' ' ' ' MG' . . . . . 0.608 'MG ' ' O3G' ' B' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 203' ' ' PCW . . . . . 0.416 ' C8 ' ' O5 ' ' C' ' 215' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 204' ' ' PCW . . . . . 0.57 ' C5 ' ' O5 ' ' A' ' 416' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 205' ' ' PCW . . . . . 0.63 ' C21' ' C25' ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 206' ' ' PCW . . . . . 0.529 ' C6 ' ' O4P' ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 207' ' ' PCW . . . . . 0.581 ' C11' ' C31' ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 208' ' ' PCW . . . . . 0.646 ' C43' ' C47' ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 209' ' ' 17F . . . . . 0.629 ' C31' ' C19' ' B' ' 209' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 210' ' ' 17F . . . . . 0.499 ' C24' ' C12' ' B' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 211' ' ' 17F . . . . . 0.555 ' N1 ' ' O2P' ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 201' ' ' GSP . . . . . 0.641 ' O3G' 'MG ' ' C' ' 202' ' ' ' MG' . . . . . . . . 0 O4'--C1' 1.438 1.963 3 O4'-C1'-N19 112.857 4.657 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 202' ' ' ' MG' . . . . . 0.641 'MG ' ' O3G' ' C' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 203' ' ' PCW . . . . . 0.649 ' C21' ' C25' ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 204' ' ' PCW . . . . . 0.679 ' C42' ' C46' ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 205' ' ' PCW . . . . . 0.567 ' O3 ' ' O31' ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 206' ' ' PCW . . . . . 0.561 ' O31' ' O3 ' ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 207' ' ' PCW . . . . . 0.432 ' C3 ' ' P ' ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 208' ' ' PCW . . . . . 0.475 ' C17' ' C18' ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 209' ' ' PCW . . . . . 0.667 ' C22' ' C26' ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 210' ' ' PCW . . . . . 0.641 ' O31' ' O4P' ' C' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 211' ' ' PCW . . . . . 0.613 ' C6 ' ' O4P' ' C' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 212' ' ' PCW . . . . . 0.607 ' C20' ' C24' ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 213' ' ' 17F . . . . . 0.401 ' O8 ' ' C5 ' ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 214' ' ' 17F . . . . . 0.505 ' C33' ' C32' ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 215' ' ' 17F . . . . . 0.655 ' N1 ' ' O2 ' ' C' ' 215' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 216' ' ' PCW . . . . . 0.521 ' O2 ' ' O11' ' C' ' 216' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 217' ' ' PCW . . . . . 0.547 ' C35' ' C20' ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 218' ' ' 17F . . . . . 0.769 ' O7 ' ' C18' ' C' ' 218' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 219' ' ' 17F . . . . . 0.625 ' C17' ' C7 ' ' C' ' 219' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 96.1 mt . . . . . 0 N--CA 1.461 0.116 0 CA-C-O 120.63 0.252 . . . . 10.0 110.836 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 6.6 tmtm? -58.6 -40.27 82.76 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.977 0.418 . . . . 10.0 111.659 -179.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 81.9 mt -71.25 -25.72 62.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.307 -0.406 . . . . 10.0 111.95 -179.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 72.5 mt -85.98 -40.13 16.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.908 0.385 . . . . 10.0 110.478 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -60.14 -46.72 88.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.749 -0.66 . . . . 10.0 110.327 178.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -68.24 -30.88 70.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.552 -0.749 . . . . 10.0 111.127 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 9.6 t90 -65.68 -35.1 79.81 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 116.232 -0.44 . . . . 10.0 110.408 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -62.9 -40.56 97.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.382 -0.372 . . . . 10.0 110.685 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 1.4 m -64.0 -33.95 76.89 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.143 0.496 . . . . 10.0 109.809 178.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 59.3 t -72.93 -44.04 58.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 109.34 -0.615 . . . . 10.0 109.34 178.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 19.3 m -60.66 -44.53 96.32 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.606 -0.724 . . . . 10.0 111.176 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 2.2 p -63.54 -40.09 96.1 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.927 -0.397 . . . . 10.0 109.927 179.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 72.4 m -64.08 -42.0 97.1 Favored 'General case' 0 CA--C 1.529 0.156 0 N-CA-C 109.282 -0.636 . . . . 10.0 109.282 178.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -60.48 -45.71 92.74 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.394 178.592 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 16.7 m -60.05 -51.99 67.28 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.651 -0.704 . . . . 10.0 110.467 179.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -59.44 -41.73 90.26 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.274 -0.421 . . . . 10.0 111.131 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 18.2 mt -65.81 -44.51 85.43 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.598 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 80.1 mtt180 -64.7 -41.84 95.72 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.534 -0.303 . . . . 10.0 111.299 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -65.24 -28.97 69.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.996 0.427 . . . . 10.0 110.771 179.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -85.28 -23.48 28.14 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.972 -0.558 . . . . 10.0 109.912 178.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 37.3 mt -61.42 -31.41 71.34 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.352 179.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -57.16 -65.37 3.62 Favored Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 110.932 -0.867 . . . . 10.0 110.932 178.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_exo -55.47 -38.75 93.71 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.518 2.145 . . . . 10.0 111.1 177.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 44.8 t -57.99 -52.88 52.75 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.152 0 CA-C-N 116.63 -0.259 . . . . 10.0 110.917 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 8.5 p -65.9 -36.58 83.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.737 0.303 . . . . 10.0 110.85 -179.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -62.52 -52.54 63.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.7 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -66.17 -39.8 90.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.797 179.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -63.22 -43.33 98.41 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.968 -0.56 . . . . 10.0 109.912 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -66.97 -37.62 84.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.794 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -59.97 -45.79 91.54 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.598 0.713 . . . . 10.0 109.198 178.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -67.43 -39.93 85.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.043 -0.981 . . . . 10.0 109.528 178.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 24.1 mt -60.19 -41.09 92.19 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 116.101 -0.5 . . . . 10.0 110.02 179.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -64.08 -36.87 85.42 Favored 'General case' 0 C--O 1.221 -0.401 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.535 179.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 71.9 mttt -69.95 -38.76 76.22 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.969 -0.752 . . . . 10.0 108.969 178.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -63.73 -48.24 77.84 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.484 -0.78 . . . . 10.0 109.626 178.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 1.2 p -68.78 -31.73 70.96 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.22 179.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -59.81 -49.13 78.92 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 109.145 -0.687 . . . . 10.0 109.145 177.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -62.15 -42.28 99.72 Favored Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 110.53 -1.028 . . . . 10.0 110.53 178.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 52.1 mt -66.55 -26.9 67.35 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.616 0.246 . . . . 10.0 111.576 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 46.2 mtt180 -69.85 -41.02 75.42 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.185 -0.672 . . . . 10.0 109.185 178.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -72.27 -37.14 69.11 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.529 -0.915 . . . . 10.0 108.529 178.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -64.29 -33.2 75.28 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 115.02 -0.991 . . . . 10.0 109.81 178.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 38.4 ttm -58.96 -38.39 78.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.008 0.432 . . . . 10.0 110.014 179.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 4.7 m -77.14 9.19 3.21 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 115.792 -0.64 . . . . 10.0 111.331 179.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -129.87 -65.56 0.83 Allowed 'General case' 0 C--O 1.223 -0.29 0 N-CA-C 109.583 -0.525 . . . . 10.0 109.583 178.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 246' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -54.14 -39.12 66.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.584 -0.734 . . . . 10.0 111.763 -179.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . 35.4 mt -96.82 -42.63 7.87 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.947 0.351 . . . . 10.0 111.947 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -65.01 -45.85 83.79 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.918 0.71 . . . . 10.0 112.918 -179.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -66.49 -39.3 88.66 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-O 120.992 0.425 . . . . 10.0 110.119 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 250' ' ' VAL . . . . . . . . . . . . . 1.6 p -71.4 -28.97 33.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.384 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 71.0 tttt -80.05 -36.49 35.62 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.409 0.623 . . . . 10.0 109.773 179.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -69.55 -34.32 74.04 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.828 -0.624 . . . . 10.0 109.797 178.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 253' ' ' LYS . . . . . 0.423 ' HZ2' ' CD ' ' D' ' 524' ' ' GLU . 91.9 mttt -91.73 -15.37 28.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.691 -0.686 . . . . 10.0 112.024 -179.706 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 254' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -63.8 -25.23 37.73 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 CA-C-O 120.717 0.294 . . . . 10.0 110.724 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -66.21 -63.47 3.11 Favored Pre-proline 0 CA--C 1.534 0.356 0 CA-C-N 116.057 -0.519 . . . . 10.0 110.869 179.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -62.44 -32.06 80.76 Favored 'Trans proline' 0 C--N 1.358 1.038 0 C-N-CA 121.784 1.656 . . . . 10.0 112.228 179.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 9.5 m-30 -67.96 -51.1 51.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.542 -0.299 . . . . 10.0 110.343 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 22.2 mt -70.7 -34.18 71.68 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 116.64 -0.255 . . . . 10.0 110.715 179.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -63.63 -48.76 75.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.507 -0.315 . . . . 10.0 110.672 179.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 260' ' ' ASP . . . . . 0.414 ' CG ' ' HZ3' ' A' ' 264' ' ' LYS . 25.4 t70 -63.05 -46.64 86.55 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.338 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 2.7 m-30 -64.4 -28.75 69.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 10.0 110.443 179.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.42 -46.25 64.3 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 109.277 -0.638 . . . . 10.0 109.277 178.469 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 27.2 mtmt -61.25 -41.25 96.59 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.209 -0.663 . . . . 10.0 109.209 178.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 264' ' ' LYS . . . . . 0.414 ' HZ3' ' CG ' ' A' ' 260' ' ' ASP . 12.6 mptt -64.41 -45.39 87.81 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.706 -0.679 . . . . 10.0 109.368 178.442 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 1.3 m95 -61.17 -41.51 96.9 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.273 -0.421 . . . . 10.0 110.314 179.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -57.36 -48.34 79.29 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.411 -0.589 . . . . 10.0 109.411 178.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -64.09 -45.07 90.31 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 115.709 -0.678 . . . . 10.0 110.251 178.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -56.76 -46.2 81.59 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.865 179.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 73.5 mmm -69.45 -39.91 77.48 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.866 -0.606 . . . . 10.0 110.509 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -66.55 -43.9 83.82 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.669 -0.242 . . . . 10.0 110.879 179.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 86.7 mt -59.83 -34.64 73.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.149 0.499 . . . . 10.0 109.912 179.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -80.65 -36.6 32.27 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.725 -0.67 . . . . 10.0 111.061 179.289 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 72.4 mtt180 -69.49 -40.43 77.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.488 -0.324 . . . . 10.0 111.097 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -68.02 -31.22 70.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.03 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 275' ' ' LYS . . . . . . . . . . . . . 57.2 mttp -92.08 -28.08 17.36 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.733 0.642 . . . . 10.0 112.733 -179.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 5.2 p -61.3 -32.57 53.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 112.227 0.455 . . . . 10.0 112.227 -178.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -64.19 -60.71 8.09 Favored Pre-proline 0 C--N 1.327 -0.41 0 N-CA-C 112.097 0.406 . . . . 10.0 112.097 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -62.28 -35.28 74.69 Favored 'Trans proline' 0 C--N 1.354 0.851 0 C-N-CA 121.779 1.652 . . . . 10.0 111.524 178.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 39.2 mt -66.3 -47.25 74.19 Favored 'General case' 0 C--O 1.226 -0.155 0 CA-C-N 116.483 -0.326 . . . . 10.0 110.781 179.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -61.84 -35.88 79.55 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.872 -0.418 . . . . 10.0 109.872 179.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -62.07 -50.08 73.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.74 179.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -68.38 -37.29 80.26 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.929 -0.308 . . . . 10.0 110.78 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 92.1 mt -63.6 -40.76 97.76 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 109.399 -0.593 . . . . 10.0 109.399 178.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -65.54 -43.15 90.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.78 -0.646 . . . . 10.0 109.44 178.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -59.85 -49.25 78.46 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.868 -0.605 . . . . 10.0 109.466 178.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -60.5 -42.11 98.95 Favored Glycine 0 N--CA 1.441 -1.024 0 N-CA-C 110.996 -0.842 . . . . 10.0 110.996 178.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -61.08 -44.98 96.55 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 110.218 -0.289 . . . . 10.0 110.218 179.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 16.9 mtt180 -58.65 -48.52 80.78 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.343 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 6.1 tm0? -63.62 -42.95 98.13 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.987 -0.551 . . . . 10.0 111.101 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 58.3 mttt -65.92 -42.75 89.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 10.0 110.543 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 71.5 mt -67.08 -35.55 80.06 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.288 -0.634 . . . . 10.0 109.288 178.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.96 -47.5 74.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.56 -0.745 . . . . 10.0 109.485 178.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.17 -34.99 72.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.987 -0.552 . . . . 10.0 109.578 179.116 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 31.6 mt -68.95 -45.82 69.76 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 115.521 -0.763 . . . . 10.0 109.589 178.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -63.04 -32.8 74.25 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.161 0.505 . . . . 10.0 110.664 179.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -65.06 -14.93 61.69 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.692 -0.685 . . . . 10.0 110.487 179.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -114.08 -35.7 4.97 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.044 -0.526 . . . . 10.0 110.654 179.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 21.7 mt -57.49 -34.8 69.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.251 -0.431 . . . . 10.0 111.587 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 299' ' ' SER . . . . . . . . . . . . . 3.4 m -74.14 -62.1 1.11 Allowed Pre-proline 0 C--N 1.324 -0.508 0 N-CA-C 112.313 0.486 . . . . 10.0 112.313 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 300' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -63.83 -50.71 2.88 Favored 'Trans proline' 0 C--N 1.358 1.05 0 C-N-CA 121.745 1.63 . . . . 10.0 112.816 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 75.6 mt -68.32 -24.55 64.84 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 110.091 -0.337 . . . . 10.0 110.091 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -74.65 -49.76 10.43 Favored Glycine 0 N--CA 1.446 -0.699 0 N-CA-C 110.119 -1.192 . . . . 10.0 110.119 178.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -60.87 -40.78 94.26 Favored 'General case' 0 CA--C 1.519 -0.236 0 N-CA-C 108.873 -0.788 . . . . 10.0 108.873 178.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -63.34 -37.24 86.5 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.503 -0.771 . . . . 10.0 109.859 178.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 8.5 tpt -68.19 -39.34 82.49 Favored 'General case' 0 CA--C 1.516 -0.341 0 N-CA-C 109.933 -0.395 . . . . 10.0 109.933 179.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -67.71 -39.0 84.37 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.755 -0.657 . . . . 10.0 109.48 178.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -69.15 -41.57 77.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.004 -0.544 . . . . 10.0 109.898 178.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 9.3 mmt180 -66.51 -32.86 74.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.938 -0.573 . . . . 10.0 109.55 178.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -66.16 -33.69 76.34 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 109.061 -0.718 . . . . 10.0 109.061 177.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 310' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -59.2 -51.26 70.74 Favored 'General case' 0 C--O 1.221 -0.407 0 N-CA-C 108.612 -0.884 . . . . 10.0 108.612 178.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -65.76 -39.22 90.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.413 179.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -58.34 -51.75 68.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 10.0 110.49 179.713 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 76.3 t -73.59 -36.97 48.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.549 -0.751 . . . . 10.0 111.077 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -60.67 -49.75 76.26 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.865 -0.421 . . . . 10.0 109.865 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -62.39 -36.2 81.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.631 -0.713 . . . . 10.0 109.854 179.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 7.1 mt -65.9 -47.46 74.72 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-N 115.748 -0.66 . . . . 10.0 109.307 178.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 21.6 mtm105 -60.58 -46.67 89.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.339 -0.391 . . . . 10.0 110.952 179.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 48.7 m -59.79 -29.09 67.98 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.932 -0.576 . . . . 10.0 111.121 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -90.03 -37.13 14.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.429 -0.35 . . . . 10.0 110.966 179.455 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 60.0 mt -65.85 -31.87 73.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.569 -0.287 . . . . 10.0 111.606 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -55.29 -60.86 7.13 Favored Pre-proline 0 CA--C 1.535 0.372 0 O-C-N 123.085 0.241 . . . . 10.0 111.545 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -66.32 -37.18 24.84 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 121.423 1.415 . . . . 10.0 110.915 178.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 9.2 m-30 -58.72 -47.73 83.57 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.357 -0.383 . . . . 10.0 111.808 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 14.8 p -63.1 -40.23 97.03 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 123.134 0.271 . . . . 10.0 111.08 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -66.04 -40.02 90.66 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.448 -0.575 . . . . 10.0 109.448 178.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -65.11 -38.65 91.36 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 108.686 -0.857 . . . . 10.0 108.686 177.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 32.7 mt -66.55 -36.31 82.35 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.962 -0.563 . . . . 10.0 109.882 178.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -61.99 -43.83 98.01 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.003 -0.74 . . . . 10.0 109.003 178.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -66.42 -38.88 88.43 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.819 -0.628 . . . . 10.0 109.316 178.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 32.2 mtt180 -60.86 -48.08 83.43 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 109.392 -0.596 . . . . 10.0 109.392 178.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 67.6 mt -62.35 -43.65 98.32 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.543 -0.753 . . . . 10.0 110.259 179.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -61.03 -51.9 67.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.286 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -60.02 -43.98 94.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.668 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 7.7 mmt180 -63.93 -47.41 80.64 Favored 'General case' 0 C--O 1.225 -0.209 0 CA-C-N 116.296 -0.411 . . . . 10.0 109.91 179.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 49.8 mt -61.78 -42.63 99.25 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 116.28 -0.418 . . . . 10.0 110.774 179.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -60.33 -47.38 86.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.644 -0.253 . . . . 10.0 110.563 179.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -65.2 -44.2 89.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.224 -0.443 . . . . 10.0 109.958 179.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 54.7 mt -65.53 -19.68 66.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.75 -0.659 . . . . 10.0 111.094 179.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -81.84 -40.98 21.69 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.653 -0.499 . . . . 10.0 109.653 178.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -67.49 -55.82 12.03 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 108.527 -0.916 . . . . 10.0 108.527 178.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -62.32 -43.87 97.82 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.15 -0.932 . . . . 10.0 110.098 179.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -60.25 -47.73 89.64 Favored Glycine 0 C--O 1.227 -0.318 0 CA-C-N 115.707 -0.678 . . . . 10.0 112.032 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -61.44 -42.42 99.76 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.752 -0.737 . . . . 10.0 111.399 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -64.62 -42.49 95.48 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 110.093 -0.336 . . . . 10.0 110.093 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 41.1 mtm180 -66.94 -41.16 87.43 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.381 179.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 75.6 mt -57.76 -47.68 81.8 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 110.038 -0.356 . . . . 10.0 110.038 179.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -65.83 -41.26 92.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.06 178.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -61.85 -45.7 92.66 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.824 -0.625 . . . . 10.0 110.245 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -65.23 -30.03 70.88 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.417 179.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -67.58 -46.71 71.84 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 109.434 -0.58 . . . . 10.0 109.434 178.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -64.8 -41.21 95.99 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.755 -0.831 . . . . 10.0 108.755 178.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 5.7 mtmm -59.4 -45.9 90.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.572 -0.74 . . . . 10.0 109.695 178.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -62.4 -40.18 95.65 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.841 -0.618 . . . . 10.0 109.781 178.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 25.7 m -60.99 -45.42 94.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.489 . . . . 10.0 110.136 178.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -66.52 -39.9 88.87 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.062 0.458 . . . . 10.0 110.04 179.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -65.76 -36.12 82.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.068 178.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 46.1 mt -64.33 -42.05 96.48 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.14 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.45 -49.59 76.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.892 0.377 . . . . 10.0 110.468 179.376 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 1.5 m -66.19 -30.04 70.43 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.447 179.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 7.3 tt -70.38 -32.71 70.49 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.12 -0.696 . . . . 10.0 109.12 178.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 30.8 m -67.0 -31.03 71.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.961 -0.563 . . . . 10.0 109.801 179.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -68.98 -15.55 63.51 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.63 0.728 . . . . 10.0 109.329 178.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 363' ' ' LYS . . . . . . . . . . . . . 82.3 mttt -97.12 -43.03 7.57 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.545 -0.909 . . . . 10.0 108.545 178.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -64.16 -31.87 73.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.358 -0.837 . . . . 10.0 112.604 -179.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 57.9 mttt -105.86 -75.0 0.02 OUTLIER Pre-proline 0 CA--C 1.538 0.489 0 N-CA-C 113.107 0.78 . . . . 10.0 113.107 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -58.28 -51.54 7.36 Favored 'Trans proline' 0 C--N 1.354 0.832 0 C-N-CA 122.269 1.979 . . . . 10.0 113.63 -178.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 367' ' ' ALA . . . . . . . . . . . . . . . -61.29 -53.39 57.44 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.586 0.217 . . . . 10.0 111.586 -179.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 15.9 mt -58.64 -38.51 78.26 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.773 -0.194 . . . . 10.0 111.474 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -64.46 -49.95 69.42 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.835 -0.431 . . . . 10.0 109.835 179.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -60.58 -37.67 82.07 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.328 179.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 49.9 mt -66.68 -42.94 85.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.703 -0.681 . . . . 10.0 110.164 179.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 57.8 mtt85 -66.5 -40.24 89.14 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.738 -0.468 . . . . 10.0 109.738 178.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -63.66 -20.6 65.83 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.034 178.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -93.99 -35.11 6.19 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 110.824 -0.91 . . . . 10.0 110.824 178.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 41.4 mt -65.97 -39.61 90.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.825 -0.188 . . . . 10.0 111.112 179.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 92.3 mt -50.57 -60.23 5.79 Favored Pre-proline 0 CA--C 1.537 0.473 0 N-CA-C 112.892 0.701 . . . . 10.0 112.892 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -64.27 -32.2 62.32 Favored 'Trans proline' 0 C--N 1.355 0.873 0 C-N-CA 122.109 1.873 . . . . 10.0 111.496 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 25.1 t -65.73 -39.99 86.48 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 N-CA-C 109.612 -0.514 . . . . 10.0 109.612 178.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 88.8 mt -62.37 -35.43 79.15 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.097 -0.501 . . . . 10.0 110.098 178.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -60.89 -49.87 75.71 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.447 -0.575 . . . . 10.0 109.447 179.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.25 -42.03 90.15 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.989 -0.551 . . . . 10.0 110.218 179.21 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -64.45 -42.88 95.71 Favored 'General case' 0 C--O 1.221 -0.445 0 CA-C-N 115.724 -0.671 . . . . 10.0 110.835 179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -62.28 -46.26 89.57 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.818 0.342 . . . . 10.0 110.589 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 89.5 t -61.05 -49.78 83.29 Favored 'Isoleucine or valine' 0 C--O 1.236 0.395 0 CA-C-N 116.097 -0.502 . . . . 10.0 110.992 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 8.7 p -65.78 -35.43 80.69 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.389 -0.369 . . . . 10.0 111.275 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -61.54 -45.26 94.93 Favored 'General case' 0 CA--C 1.52 -0.202 0 N-CA-C 109.319 -0.623 . . . . 10.0 109.319 178.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 79.0 mt -64.31 -40.52 96.09 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.146 179.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 38.3 m -63.24 -45.27 92.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.913 -0.585 . . . . 10.0 109.931 179.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -64.41 -41.85 96.41 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.921 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 26.7 mt -58.69 -48.86 79.67 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.158 -0.474 . . . . 10.0 109.946 179.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -60.99 -41.24 96.1 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.487 179.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -56.35 -55.71 30.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 10.0 111.467 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -61.93 -35.62 78.96 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.208 -0.451 . . . . 10.0 111.618 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 23.7 m -67.53 -44.84 77.37 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.369 -0.378 . . . . 10.0 111.293 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -68.99 -40.91 78.46 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.41 0.522 . . . . 10.0 112.41 -179.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -75.36 -36.06 61.03 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 113.512 0.93 . . . . 10.0 113.512 -177.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 64.8 mt -92.59 14.5 16.74 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.45 0.537 . . . . 10.0 112.45 -179.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 64.1 t30 . . . . . 0 C--N 1.323 -0.55 0 CA-C-N 116.662 -0.245 . . . . 10.0 110.885 179.558 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 2.9 mm? . . . . . 0 C--O 1.235 0.299 0 CA-C-O 121.499 0.666 . . . . 10.0 109.839 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -87.74 7.69 29.11 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.443 -0.799 . . . . 10.0 110.471 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 75.7 mt -61.72 -39.44 91.52 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.725 -0.671 . . . . 10.0 109.677 179.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 36.7 mt -63.85 -38.13 89.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.652 -0.703 . . . . 10.0 110.633 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -62.22 -53.27 57.62 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 115.897 -0.592 . . . . 10.0 109.719 179.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -60.05 -40.6 89.99 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.656 -0.702 . . . . 10.0 110.696 -179.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 4.7 m95 -56.39 -43.64 79.48 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.376 -0.375 . . . . 10.0 111.06 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -64.87 -43.59 92.46 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.935 0.398 . . . . 10.0 110.194 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 1.8 m -61.0 -42.18 97.95 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.678 -0.692 . . . . 10.0 110.733 178.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 61.7 t -65.86 -41.79 90.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 121.012 0.434 . . . . 10.0 109.866 178.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 19.8 m -63.7 -31.67 72.91 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.311 178.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 27.2 m -64.3 -45.63 87.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.348 179.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.01 -33.05 74.72 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 120.708 0.29 . . . . 10.0 110.701 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 11.7 m-30 -65.86 -45.52 81.83 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.426 -0.583 . . . . 10.0 109.426 178.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 13.3 m -62.97 -38.22 90.24 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 109.35 -0.611 . . . . 10.0 109.35 178.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 29.3 mmtt -65.6 -35.14 79.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.686 -0.688 . . . . 10.0 110.505 178.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.38 -40.8 85.73 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.422 -0.584 . . . . 10.0 109.422 179.006 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -66.01 -34.94 79.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.39 -0.823 . . . . 10.0 109.829 178.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -66.07 -34.78 78.85 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.784 -0.643 . . . . 10.0 109.854 178.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -72.65 -48.69 37.25 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 108.866 -0.79 . . . . 10.0 108.866 178.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 14.0 mt -45.52 -46.51 13.96 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-N 115.05 -0.977 . . . . 10.0 112.901 -179.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -48.97 -77.81 0.11 Allowed Glycine 0 C--N 1.334 0.426 0 O-C-N 123.677 0.611 . . . . 10.0 113.276 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -57.38 -36.4 98.85 Favored 'Trans proline' 0 C--O 1.233 0.275 0 C-N-CA 122.571 2.181 . . . . 10.0 112.717 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 25.7 t -62.25 -48.31 89.02 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.343 0 N-CA-C 112.079 0.4 . . . . 10.0 112.079 -179.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 25.5 p -68.67 -35.74 77.61 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 121.058 -0.257 . . . . 10.0 110.768 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -57.05 -51.33 69.68 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.172 -0.467 . . . . 10.0 109.767 178.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -76.92 -27.73 55.02 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-N 116.272 -0.422 . . . . 10.0 111.195 179.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -64.5 -42.0 96.1 Favored 'General case' 0 CA--C 1.52 -0.191 0 N-CA-C 109.602 -0.518 . . . . 10.0 109.602 178.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 38.8 m0 -67.62 -40.03 84.7 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.977 -0.749 . . . . 10.0 108.977 178.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -63.56 -39.45 94.42 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 108.511 -0.922 . . . . 10.0 108.511 178.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -65.22 -42.61 93.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.171 -0.922 . . . . 10.0 109.459 178.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 57.1 mt -60.46 -35.36 75.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.005 -0.543 . . . . 10.0 109.572 178.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -69.19 -35.95 76.81 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.71 -0.677 . . . . 10.0 109.61 177.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 31.5 mttp -64.44 -46.66 82.19 Favored 'General case' 0 CA--C 1.519 -0.243 0 N-CA-C 107.921 -1.14 . . . . 10.0 107.921 177.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -62.49 -49.86 73.7 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 114.961 -1.018 . . . . 10.0 110.857 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 1.5 p -59.61 -50.87 72.21 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 121.302 -0.159 . . . . 10.0 111.226 179.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -60.8 -49.37 77.77 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.61 0.243 . . . . 10.0 110.678 179.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -58.74 -47.07 92.26 Favored Glycine 0 N--CA 1.453 -0.218 0 N-CA-C 111.518 -0.633 . . . . 10.0 111.518 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 61.9 mt -64.86 -33.94 77.19 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 110.275 -0.269 . . . . 10.0 110.275 179.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 69.2 mtt180 -62.08 -37.67 85.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.521 -0.308 . . . . 10.0 111.409 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -56.37 -51.34 68.68 Favored 'General case' 0 C--O 1.235 0.299 0 O-C-N 123.653 0.596 . . . . 10.0 110.22 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.28 -23.81 47.06 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.221 -0.9 . . . . 10.0 110.762 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 2.3 mmm -62.9 -49.82 73.3 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.885 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.28 -41.21 98.97 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 109.427 -0.582 . . . . 10.0 109.427 179.177 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -63.02 -39.77 95.76 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.004 179.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -69.99 -50.19 44.1 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.389 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 83.4 mt -63.94 -55.47 22.29 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.835 0.68 . . . . 10.0 112.835 -179.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -58.7 -50.22 74.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.727 0.298 . . . . 10.0 111.675 -178.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 447' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -67.36 -29.46 69.0 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.771 -0.372 . . . . 10.0 111.113 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -63.7 -32.4 56.76 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.343 0 N-CA-C 109.837 -0.431 . . . . 10.0 109.837 179.102 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -67.9 -43.51 79.1 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.722 -0.844 . . . . 10.0 108.722 178.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -78.88 6.65 8.66 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.214 -0.903 . . . . 10.0 110.472 179.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 43.5 mttm -115.76 -47.73 2.79 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.184 179.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 80.1 t -67.6 -42.22 86.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 10.0 111.516 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -55.32 -58.78 13.4 Favored Pre-proline 0 CA--C 1.536 0.412 0 C-N-CA 121.175 -0.21 . . . . 10.0 111.2 179.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -67.54 -24.08 42.56 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 121.762 1.641 . . . . 10.0 111.774 178.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -70.32 -40.69 74.03 Favored 'General case' 0 CA--C 1.52 -0.186 0 N-CA-C 109.051 -0.722 . . . . 10.0 109.051 178.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 17.5 mt -65.76 -39.72 91.34 Favored 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 108.653 -0.869 . . . . 10.0 108.653 177.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -63.08 -45.88 90.02 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 115.535 -0.757 . . . . 10.0 109.372 178.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -61.96 -43.54 98.63 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.251 -0.886 . . . . 10.0 110.338 179.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -67.11 -46.49 74.04 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.503 179.208 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -55.77 -38.99 70.62 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.447 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 56.0 mttt -59.76 -48.56 81.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 10.0 110.193 179.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 26.6 mtmm -70.14 -35.28 73.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.703 179.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 31.3 m0 -63.75 -43.52 96.21 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.374 -0.602 . . . . 10.0 109.374 178.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -66.59 -37.38 84.8 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.331 178.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 465' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -61.75 -50.7 71.33 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 108.437 -0.949 . . . . 10.0 108.437 177.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.32 -43.94 95.91 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.685 -0.688 . . . . 10.0 110.086 179.027 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 34.6 ttm -57.15 -51.29 69.89 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.132 -0.486 . . . . 10.0 110.498 179.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -65.34 -34.12 77.57 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.638 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 469' ' ' LEU . . . . . . . . . . . . . 60.7 mt -67.59 -37.93 83.3 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-N 116.28 -0.418 . . . . 10.0 109.883 178.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -65.67 -30.19 70.85 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.896 0.379 . . . . 10.0 110.42 179.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 66.7 mtt180 -79.32 -23.72 43.28 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.075 0.464 . . . . 10.0 111.013 179.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -99.51 -8.03 25.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.214 -0.448 . . . . 10.0 111.572 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 473' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -123.0 -66.92 0.98 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.577 -0.283 . . . . 10.0 111.518 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 52.9 t -54.81 -48.2 73.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 10.0 112.15 -179.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -58.24 -59.49 13.19 Favored Pre-proline 0 CA--C 1.533 0.299 0 N-CA-C 112.213 0.449 . . . . 10.0 112.213 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -60.04 -41.82 49.3 Favored 'Trans proline' 0 C--N 1.353 0.813 0 C-N-CA 121.811 1.674 . . . . 10.0 111.83 178.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 29.3 mt -62.39 -32.87 73.75 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-O 120.769 0.319 . . . . 10.0 110.237 178.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -63.6 -39.6 94.8 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.604 -0.725 . . . . 10.0 109.335 179.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -68.15 -44.33 76.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.79 -0.641 . . . . 10.0 109.533 178.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -63.52 -42.19 98.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.947 -0.57 . . . . 10.0 110.096 178.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 19.8 mt -67.0 -29.76 69.67 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.416 -0.586 . . . . 10.0 109.416 178.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -70.82 -40.64 72.33 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 108.65 -0.87 . . . . 10.0 108.65 178.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.51 -43.19 90.86 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.079 -0.712 . . . . 10.0 109.079 178.388 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -65.16 -35.69 92.0 Favored Glycine 0 N--CA 1.446 -0.689 0 N-CA-C 110.381 -1.087 . . . . 10.0 110.381 178.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -67.75 -42.95 80.99 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 109.532 -0.544 . . . . 10.0 109.532 178.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 70.5 mtt180 -62.13 -42.14 98.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.466 . . . . 10.0 109.892 178.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -66.1 -43.01 88.49 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.631 -0.713 . . . . 10.0 109.373 178.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 62.8 tttt -64.6 -36.89 85.71 Favored 'General case' 0 C--O 1.225 -0.185 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.055 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 66.9 mt -64.54 -39.84 94.5 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 109.059 -0.719 . . . . 10.0 109.059 178.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 37.5 t-80 -64.67 -46.96 80.22 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.068 -1.086 . . . . 10.0 108.068 177.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -55.51 -44.98 77.11 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.521 -0.763 . . . . 10.0 109.055 178.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 55.8 mt -64.11 -49.44 72.2 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.643 -0.708 . . . . 10.0 110.919 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -60.39 -36.5 78.25 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.491 -0.322 . . . . 10.0 111.333 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -69.03 -4.8 18.36 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 116.019 -0.537 . . . . 10.0 111.22 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 495' ' ' LYS . . . . . . . . . . . . . 29.1 mttp -120.92 -46.04 2.35 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.447 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 99.2 mt -60.69 -24.96 66.04 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.248 -0.433 . . . . 10.0 112.035 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 497' ' ' SER . . . . . . . . . . . . . 4.0 m -82.82 -65.46 0.23 Allowed Pre-proline 0 CA--C 1.538 0.517 0 C-N-CA 120.804 -0.359 . . . . 10.0 111.642 179.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 498' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -64.66 -50.39 2.48 Favored 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 121.721 1.614 . . . . 10.0 112.075 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 499' ' ' LEU . . . . . . . . . . . . . 56.4 mt -69.49 -29.72 67.44 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.906 -0.405 . . . . 10.0 109.906 179.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -64.77 -47.26 85.14 Favored Glycine 0 N--CA 1.451 -0.345 0 N-CA-C 110.852 -0.899 . . . . 10.0 110.852 179.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -67.16 -36.22 81.36 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.164 -0.68 . . . . 10.0 109.164 178.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 502' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -63.87 -43.3 96.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.628 -0.715 . . . . 10.0 110.273 178.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 33.5 mmm -61.93 -42.48 99.15 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 109.558 -0.534 . . . . 10.0 109.558 179.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 67.6 mtt85 -63.83 -37.19 86.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.899 -0.592 . . . . 10.0 109.628 178.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -68.26 -37.47 80.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.633 -0.712 . . . . 10.0 109.874 179.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 506' ' ' ARG . . . . . . . . . . . . . 47.1 mtt180 -62.57 -42.42 99.54 Favored 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 108.064 -1.087 . . . . 10.0 108.064 177.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -60.74 -43.35 98.02 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 114.905 -1.043 . . . . 10.0 109.48 178.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 508' ' ' ARG . . . . . . . . . . . . . 70.5 mtt180 -58.21 -45.25 87.99 Favored 'General case' 0 C--O 1.223 -0.335 0 O-C-N 123.507 0.504 . . . . 10.0 109.673 178.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -62.14 -48.7 78.96 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.659 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -64.05 -47.31 80.67 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.206 -0.452 . . . . 10.0 111.213 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 55.8 t -63.24 -43.06 98.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.451 -0.34 . . . . 10.0 110.445 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -61.9 -39.33 91.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.048 0.452 . . . . 10.0 109.806 179.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -66.21 -45.54 80.4 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 108.513 -0.921 . . . . 10.0 108.513 178.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 514' ' ' LEU . . . . . . . . . . . . . 89.7 mt -60.88 -27.34 68.06 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 115.644 -0.707 . . . . 10.0 110.743 179.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 515' ' ' ARG . . . . . . . . . . . . . 89.7 mtt180 -65.43 -35.14 80.04 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.294 -0.632 . . . . 10.0 109.294 178.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.37 7.32 45.64 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.849 179.507 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 34.8 m170 -113.37 -65.54 1.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.502 179.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 90.9 mt -66.95 -43.5 82.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.708 -0.678 . . . . 10.0 112.697 -178.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 519' ' ' ALA . . . . . . . . . . . . . . . -58.6 -57.56 25.66 Favored Pre-proline 0 N--CA 1.466 0.353 0 N-CA-C 112.356 0.502 . . . . 10.0 112.356 -179.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 520' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -62.1 -32.64 83.45 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 121.79 1.66 . . . . 10.0 110.763 178.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -65.98 -43.53 87.56 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.244 -0.435 . . . . 10.0 110.745 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 1.7 p -67.21 -32.61 73.78 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 109.516 -0.55 . . . . 10.0 109.516 178.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.87 -41.41 91.63 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 108.7 -0.852 . . . . 10.0 108.7 177.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 524' ' ' GLU . . . . . 0.423 ' CD ' ' HZ2' ' A' ' 253' ' ' LYS . 50.9 mt-10 -68.43 -37.98 80.76 Favored 'General case' 0 CA--C 1.519 -0.218 0 N-CA-C 108.603 -0.888 . . . . 10.0 108.603 177.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 40.8 mt -62.31 -36.74 83.1 Favored 'General case' 0 C--O 1.219 -0.548 0 CA-C-N 115.352 -0.84 . . . . 10.0 109.349 178.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 526' ' ' ARG . . . . . . . . . . . . . 77.6 mtt180 -64.02 -39.54 94.33 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.546 -0.538 . . . . 10.0 109.546 178.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -66.48 -42.05 88.06 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.316 -0.624 . . . . 10.0 109.316 178.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 528' ' ' ARG . . . . . . . . . . . . . 58.9 mtt180 -68.58 -48.69 63.56 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.5 -0.773 . . . . 10.0 110.589 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 40.6 mt -62.67 -30.76 71.63 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-N 115.978 -0.556 . . . . 10.0 110.796 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -61.21 -41.27 96.54 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.279 -0.637 . . . . 10.0 109.279 178.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -77.46 -42.58 35.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.63 -0.713 . . . . 10.0 109.462 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 17.5 ttm180 -58.74 -46.9 86.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.664 -0.698 . . . . 10.0 110.053 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 81.9 mt -69.33 -34.38 74.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.177 178.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -62.04 -44.21 97.19 Favored 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 109.112 -0.699 . . . . 10.0 109.112 178.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -64.59 -39.97 94.69 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.535 -0.757 . . . . 10.0 109.549 178.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 74.4 mt -67.85 -32.63 73.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.666 179.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 43.5 mtmt -74.45 -41.4 60.87 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.359 -0.608 . . . . 10.0 109.359 178.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -65.16 -47.63 76.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.813 -0.63 . . . . 10.0 109.769 178.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -65.97 -42.21 90.19 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-N 115.466 -0.788 . . . . 10.0 109.239 178.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -63.14 -40.09 98.74 Favored Glycine 0 N--CA 1.446 -0.697 0 CA-C-N 115.799 -0.637 . . . . 10.0 112.182 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -66.73 -45.96 79.58 Favored Glycine 0 N--CA 1.449 -0.5 0 N-CA-C 111.127 -0.789 . . . . 10.0 111.127 179.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -64.78 -46.05 83.76 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.9 -0.407 . . . . 10.0 109.9 179.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 48.6 mtt180 -63.42 -30.76 71.83 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 115.774 -0.648 . . . . 10.0 111.135 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 6.2 mt -65.81 -42.09 91.08 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 109.297 -0.631 . . . . 10.0 109.297 178.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -68.03 -40.84 82.83 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.443 -0.577 . . . . 10.0 109.443 178.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -64.75 -47.78 76.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.585 -0.734 . . . . 10.0 110.475 179.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -67.83 -34.44 76.73 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.142 -0.481 . . . . 10.0 111.0 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -66.46 -44.18 83.47 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.443 -0.947 . . . . 10.0 108.443 178.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -63.78 -49.68 71.97 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 115.437 -0.801 . . . . 10.0 109.291 178.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -36.87 76.58 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.95 179.412 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -66.89 -39.7 87.54 Favored 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 109.007 -0.738 . . . . 10.0 109.007 178.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 26.6 m -65.09 -48.64 72.98 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.494 -0.776 . . . . 10.0 109.419 178.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -59.17 -45.63 90.52 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-N 115.802 -0.636 . . . . 10.0 110.46 179.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 25.5 t60 -63.98 -37.38 87.22 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 115.976 -0.556 . . . . 10.0 110.229 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 36.7 tp -60.58 -43.47 97.31 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.171 -0.468 . . . . 10.0 110.249 179.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.63 -39.92 95.37 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.879 179.175 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -71.2 -32.26 68.62 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 116.478 -0.328 . . . . 10.0 110.278 178.667 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 29.8 mt -63.91 -48.62 75.88 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-N 115.865 -0.607 . . . . 10.0 109.594 178.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 3.2 p -70.38 -34.26 72.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.211 -0.45 . . . . 10.0 110.29 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -60.83 -37.47 82.12 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.405 179.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.76 -19.18 22.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.945 -0.571 . . . . 10.0 111.241 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -64.79 -48.92 72.7 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.408 -0.36 . . . . 10.0 111.315 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 61.5 mttt -55.29 -61.03 6.69 Favored Pre-proline 0 C--N 1.328 -0.339 0 N-CA-C 112.491 0.552 . . . . 10.0 112.491 -179.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -59.94 -40.45 62.14 Favored 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 122.103 1.868 . . . . 10.0 112.116 -179.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -61.39 -50.7 71.83 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-O 120.779 0.323 . . . . 10.0 110.223 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 67.3 mt -63.0 -45.8 90.67 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.916 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -59.4 -52.45 65.56 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.576 0.213 . . . . 10.0 111.576 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.86 -37.33 84.25 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.601 -0.272 . . . . 10.0 111.481 -178.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 34.8 mt -67.16 -45.24 77.61 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 110.209 -0.293 . . . . 10.0 110.209 178.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -64.29 -51.7 62.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.762 0.315 . . . . 10.0 110.269 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -69.33 -6.72 31.54 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.971 -0.559 . . . . 10.0 111.87 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -100.53 -44.24 2.18 Favored Glycine 0 N--CA 1.442 -0.95 0 N-CA-C 110.317 -1.113 . . . . 10.0 110.317 178.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 75.0 mt -64.7 -39.87 94.39 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 122.187 0.195 . . . . 10.0 111.374 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 74.4 mt -52.42 -61.21 4.86 Favored Pre-proline 0 CA--C 1.539 0.551 0 N-CA-C 112.655 0.613 . . . . 10.0 112.655 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -65.88 -33.39 43.02 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 121.864 1.709 . . . . 10.0 111.167 178.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 8.9 t -64.57 -39.5 85.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.485 -0.325 . . . . 10.0 110.273 178.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 78.9 mt -65.06 -42.62 94.05 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 109.782 -0.451 . . . . 10.0 109.782 178.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -64.03 -35.99 82.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.362 179.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 17.0 m -73.75 -35.73 65.05 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.799 -0.637 . . . . 10.0 109.475 178.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -68.01 -34.02 75.71 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 116.173 -0.467 . . . . 10.0 109.761 178.62 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -59.97 -36.79 77.89 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 115.889 -0.596 . . . . 10.0 109.7 178.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 60.9 t -62.17 -49.82 82.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 109.567 -0.531 . . . . 10.0 109.567 178.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.29 -27.27 67.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.709 -0.678 . . . . 10.0 111.261 179.549 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -76.28 -53.16 8.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.749 179.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 86.9 mt -56.06 -47.24 78.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.626 -0.716 . . . . 10.0 111.699 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 11.8 p -64.74 -45.97 84.2 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.769 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -59.81 -52.84 63.74 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 116.244 -0.435 . . . . 10.0 111.093 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 81.2 mt -56.98 -44.26 82.5 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.976 -0.556 . . . . 10.0 111.366 -179.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -64.11 -53.85 43.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.325 -0.398 . . . . 10.0 111.193 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -62.26 -36.37 81.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.236 -0.438 . . . . 10.0 111.493 -179.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -65.28 -47.15 77.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.62 -0.264 . . . . 10.0 110.486 179.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 11.5 m -61.11 -33.04 72.75 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.055 0.455 . . . . 10.0 110.974 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -74.84 -41.3 60.13 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.062 0.458 . . . . 10.0 111.469 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.78 -16.77 54.89 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.975 0.417 . . . . 10.0 111.632 -179.81 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 77.3 mt -112.67 30.62 6.98 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.149 0.499 . . . . 10.0 109.696 178.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.033 -0.53 . . . . 10.0 111.438 -179.667 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.235 0.313 0 CA-C-O 120.958 0.409 . . . . 10.0 110.817 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -73.31 135.87 44.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.76 -0.655 . . . . 10.0 109.852 179.717 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -104.92 139.86 39.02 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.526 -0.306 . . . . 10.0 110.81 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -133.92 123.29 24.44 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.52 -0.309 . . . . 10.0 110.317 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 39.1 mttm -92.59 112.15 24.0 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.4 -0.364 . . . . 10.0 110.428 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 15.4 mt -114.01 124.68 52.73 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.997 -178.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 97.2 t -114.11 128.6 71.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.332 179.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 2.6 t -87.35 118.5 33.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.075 0.464 . . . . 10.0 109.999 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 9.9 m -115.46 151.31 17.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 120.904 0.383 . . . . 10.0 111.164 -179.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 148.36 -179.6 25.08 Favored Glycine 0 N--CA 1.442 -0.93 0 N-CA-C 110.601 -0.999 . . . . 10.0 110.601 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.31 -173.74 1.16 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.414 0.626 . . . . 10.0 111.485 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -102.41 139.9 37.41 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.624 -0.716 . . . . 10.0 109.871 179.034 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 91.6 1.06 71.71 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.792 -0.718 . . . . 10.0 112.151 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 27.7 m -79.91 -23.85 11.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 111.545 0.202 . . . . 10.0 111.545 -179.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.74 31.64 3.61 Favored Glycine 0 C--O 1.225 -0.407 0 C-N-CA 120.707 -0.759 . . . . 10.0 113.545 178.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 10.1 mtmm -65.53 -38.75 90.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.934 0.367 . . . . 10.0 110.384 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 2.9 m -74.02 -41.32 62.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.8 -0.636 . . . . 10.0 110.219 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.35 -45.7 80.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.973 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 89.6 mt -63.37 -44.94 93.31 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.361 -0.381 . . . . 10.0 110.987 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 41.3 m -64.69 -42.62 95.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.036 0.446 . . . . 10.0 110.781 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 78.6 mt -64.46 -34.93 72.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.839 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -69.9 -12.76 61.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.2 0.524 . . . . 10.0 110.896 178.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 30.1 tp -100.36 -42.06 6.78 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.934 -0.576 . . . . 10.0 110.872 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 41.0 mm -84.8 -67.19 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.176 -0.466 . . . . 10.0 111.997 -179.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -76.26 -23.14 54.46 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.536 -0.302 . . . . 10.0 111.72 -179.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 29.7 m-80 68.25 50.08 0.78 Allowed 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 113.516 0.932 . . . . 10.0 113.516 178.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -162.25 166.52 25.33 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.916 -0.402 . . . . 10.0 109.916 178.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -105.51 141.75 36.44 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.077 0.465 . . . . 10.0 111.632 -179.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 2.2 m -115.56 127.75 73.03 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 CA-C-N 115.793 -0.64 . . . . 10.0 110.006 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -90.66 -19.0 24.11 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.439 0.638 . . . . 10.0 110.348 179.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -81.47 140.66 34.48 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.58 -0.736 . . . . 10.0 109.592 179.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -89.8 114.75 26.52 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.545 0.212 . . . . 10.0 110.453 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . 0.412 ' O ' ' S1G' ' B' ' 201' ' ' GSP . 8.6 t70 -113.4 101.2 53.3 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.081 179.069 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.27 115.2 2.21 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 123.083 2.522 . . . . 10.0 112.256 -179.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' THR . . . . . 0.408 ' OG1' ' O3G' ' B' ' 201' ' ' GSP . 0.3 OUTLIER -97.44 101.97 13.63 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.845 -179.704 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 31.5 mm -72.32 -52.64 22.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 108.987 -0.746 . . . . 10.0 108.987 179.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -165.58 95.04 0.62 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.091 -0.959 . . . . 10.0 109.392 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -133.98 138.41 45.42 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.655 -0.498 . . . . 10.0 109.655 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 28.9 p -124.98 155.21 40.0 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.5 0.556 . . . . 10.0 112.5 -178.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -135.7 152.21 50.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.949 -0.568 . . . . 10.0 109.89 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -122.96 134.7 54.33 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.692 0.282 . . . . 10.0 110.936 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 40.2 tttp -145.13 136.65 25.27 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.468 -0.333 . . . . 10.0 110.775 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -104.27 123.32 47.15 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.956 -0.757 . . . . 10.0 108.956 178.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 2.4 m -134.2 166.31 29.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 112.729 0.64 . . . . 10.0 112.729 -177.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 14.9 t -105.44 92.34 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.323 -0.853 . . . . 10.0 109.609 179.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 35.3 mt -103.53 122.87 56.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.662 -0.244 . . . . 10.0 110.673 -178.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 59.63 20.56 9.17 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.917 -0.583 . . . . 10.0 112.039 179.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.72 3.14 64.54 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.868 -0.682 . . . . 10.0 112.345 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -109.15 120.76 43.49 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.808 0.337 . . . . 10.0 111.036 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 6.1 m -78.83 108.89 12.61 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.201 -1.037 . . . . 10.0 108.201 178.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -126.89 159.77 32.95 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.632 0.605 . . . . 10.0 112.632 -177.428 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 41.7 tp -107.48 122.68 47.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.377 -0.829 . . . . 10.0 109.103 179.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 35.3 mt -100.21 129.21 46.2 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 112.251 0.463 . . . . 10.0 112.251 -178.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -104.3 98.59 8.36 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.466 -1.309 . . . . 10.0 107.466 178.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 6.9 mt -98.88 136.77 28.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.36 -0.382 . . . . 10.0 111.972 -177.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 49.2 tp -136.73 118.35 14.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.05 -0.523 . . . . 10.0 111.064 179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -98.68 132.87 43.73 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 109.59 -0.522 . . . . 10.0 109.59 178.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -121.26 153.76 37.24 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.084 0.468 . . . . 10.0 111.914 -179.352 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.69 125.7 26.09 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.704 -0.68 . . . . 10.0 111.383 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -96.83 31.19 7.85 Favored Glycine 0 N--CA 1.451 -0.364 0 N-CA-C 110.562 -1.015 . . . . 10.0 110.562 179.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -88.89 13.29 13.02 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.453 -0.374 . . . . 10.0 111.363 -179.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 59.33 -161.98 0.25 Allowed 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.654 -0.703 . . . . 10.0 111.894 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 73.13 -42.33 0.53 Allowed 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.677 0.61 . . . . 10.0 111.76 179.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -75.28 65.63 1.64 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.847 0.356 . . . . 10.0 111.46 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.9 -50.5 28.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.174 0.511 . . . . 10.0 110.692 179.664 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.7 -21.62 63.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.656 -0.702 . . . . 10.0 111.532 -179.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 37.9 ttp -79.97 -20.86 44.56 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.006 0.432 . . . . 10.0 110.238 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -70.64 -49.1 51.09 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.972 -0.558 . . . . 10.0 111.311 -179.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.11 -39.43 56.15 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.548 -179.565 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -49.83 -61.85 1.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.339 -0.846 . . . . 10.0 112.669 -179.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 42.0 p90 -79.05 -19.3 51.74 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 113.466 0.913 . . . . 10.0 113.466 -178.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 43.8 mtt -65.07 -30.09 71.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.038 0.447 . . . . 10.0 111.32 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 71.5 mtt180 -72.32 -41.89 66.02 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.512 -0.313 . . . . 10.0 111.02 179.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 35.2 m -78.63 -42.64 28.29 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.632 0.604 . . . . 10.0 112.632 -178.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -56.16 124.35 34.13 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.981 -0.628 . . . . 10.0 113.0 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -89.94 -40.32 12.45 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.036 0.446 . . . . 10.0 110.144 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -122.19 130.28 7.92 Favored Glycine 0 N--CA 1.442 -0.922 0 N-CA-C 110.56 -1.016 . . . . 10.0 110.56 179.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -110.31 122.48 47.77 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.544 0.688 . . . . 10.0 111.668 -179.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 20.0 tp -95.85 100.72 12.38 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.471 -0.786 . . . . 10.0 109.879 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.43 107.8 16.17 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.396 -0.365 . . . . 10.0 110.294 179.246 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 72.4 t -112.4 123.91 68.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.038 0.447 . . . . 10.0 111.037 -179.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 42.1 p90 -122.84 165.26 16.94 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.16 -0.682 . . . . 10.0 109.16 179.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -103.09 130.26 50.19 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.808 -0.441 . . . . 10.0 109.808 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 29.5 pt -64.5 -16.88 20.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 111.855 0.317 . . . . 10.0 111.855 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 23.2 p-10 -104.66 13.88 30.77 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.19 0.519 . . . . 10.0 110.365 179.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -138.57 87.29 2.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.598 -0.728 . . . . 10.0 109.815 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.55 -29.77 66.62 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.999 -0.546 . . . . 10.0 112.255 -179.64 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 24.6 tptp -60.2 -45.06 94.45 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.407 -0.361 . . . . 10.0 110.58 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 93.1 p -64.77 -30.39 71.4 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-O 120.863 0.363 . . . . 10.0 110.645 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -70.83 -39.69 72.87 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.424 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -70.24 -32.51 70.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.476 179.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -68.25 -21.17 64.84 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.888 -0.596 . . . . 10.0 112.371 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 47.9 mm -56.99 -46.36 84.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.66 0.267 . . . . 10.0 111.126 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -63.18 -36.47 83.74 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.044 0.45 . . . . 10.0 111.089 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -66.53 -41.91 88.02 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.978 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -71.49 -42.25 68.3 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.119 -0.492 . . . . 10.0 110.025 179.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -56.06 -48.91 75.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.841 -0.618 . . . . 10.0 111.484 -179.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -65.28 -35.38 80.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.642 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -69.71 -45.03 69.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.472 -0.331 . . . . 10.0 111.08 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 94.7 mt -55.49 -47.2 78.76 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.027 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 30.6 mtmt -64.57 -24.74 67.7 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.554 -0.748 . . . . 10.0 112.022 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 25.6 ttm180 -77.21 -47.41 20.3 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.89 0.376 . . . . 10.0 110.309 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 39.5 t -63.79 -45.19 97.9 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 CA-C-N 115.773 -0.649 . . . . 10.0 111.058 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -80.29 -16.74 53.96 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.65 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 26.8 t70 54.14 66.44 1.23 Allowed 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.288 -0.869 . . . . 10.0 111.37 -179.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 34.8 t -171.66 140.77 1.37 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.511 -0.768 . . . . 10.0 110.282 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -83.7 -18.85 36.53 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.191 -0.67 . . . . 10.0 109.191 178.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -96.98 85.74 3.82 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.688 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 73.5 t -122.61 119.55 28.18 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 116.185 -0.462 . . . . 10.0 109.935 179.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -58.08 110.9 0.7 Allowed 'Trans proline' 0 C--O 1.237 0.458 0 C-N-CA 123.014 2.476 . . . . 10.0 111.664 179.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 50.9 mtm -142.64 147.32 35.58 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.635 -0.711 . . . . 10.0 110.171 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 88.8 t -130.66 126.2 60.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 109.506 -0.553 . . . . 10.0 109.506 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 21.0 tp -85.07 112.11 20.36 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.833 -0.432 . . . . 10.0 109.833 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 99.1 t -123.35 130.99 73.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.193 -178.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -101.64 134.22 11.65 Favored Glycine 0 N--CA 1.442 -0.934 0 N-CA-C 110.567 -1.013 . . . . 10.0 110.567 178.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -106.51 164.78 11.78 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.87 0.335 . . . . 10.0 110.445 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 82.9 mttt 65.18 28.25 12.16 Favored 'General case' 0 N--CA 1.463 0.211 0 O-C-N 123.722 0.639 . . . . 10.0 111.625 179.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 60.3 m -66.62 -10.74 48.9 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 112.754 0.65 . . . . 10.0 112.754 -179.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -91.2 -4.87 55.67 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.897 0.38 . . . . 10.0 110.824 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 14.1 mt -80.95 129.58 67.01 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.75 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -69.17 153.49 71.56 Favored 'Trans proline' 0 C--O 1.235 0.325 0 C-N-CA 123.008 2.472 . . . . 10.0 112.092 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 7.4 m 61.5 76.79 0.35 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.676 -0.693 . . . . 10.0 111.988 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -86.48 159.95 19.15 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.768 -0.651 . . . . 10.0 111.014 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.38 -39.45 5.66 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.119 -0.491 . . . . 10.0 109.691 178.754 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 61.6 t -89.64 118.82 35.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 109.231 -0.655 . . . . 10.0 109.231 178.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -82.0 137.76 35.04 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.708 -179.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 11.3 m -56.62 -36.55 69.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.066 0.46 . . . . 10.0 111.312 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.14 -49.39 74.07 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.667 -0.697 . . . . 10.0 111.259 -179.754 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -70.54 -34.65 72.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.048 0.451 . . . . 10.0 111.666 -179.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.79 -41.19 88.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.563 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -71.3 -31.45 67.45 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.926 -0.579 . . . . 10.0 110.47 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -64.06 -40.06 95.44 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 109.47 -0.567 . . . . 10.0 109.47 178.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 23.3 tp -67.78 -40.65 83.95 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.851 -0.613 . . . . 10.0 109.588 178.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.75 -37.0 85.72 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.086 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.1 -42.36 96.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.476 179.41 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 23.9 m -70.96 -17.28 62.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.458 0.647 . . . . 10.0 110.911 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 9.6 m-30 -90.46 -39.77 12.42 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.528 -0.76 . . . . 10.0 109.596 178.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 95.12 15.89 43.09 Favored Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 110.723 -0.951 . . . . 10.0 110.723 -179.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 47.4 pt -114.01 157.74 41.22 Favored Pre-proline 0 C--N 1.321 -0.638 0 N-CA-C 110.167 -0.308 . . . . 10.0 110.167 -179.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo -74.94 149.27 36.74 Favored 'Trans proline' 0 C--O 1.236 0.422 0 C-N-CA 122.784 2.323 . . . . 10.0 112.575 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -119.42 134.59 55.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.767 -0.651 . . . . 10.0 109.52 179.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 26.9 mt -133.32 137.05 53.99 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 CA-C-O 120.99 0.424 . . . . 10.0 111.739 -179.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -99.23 121.55 41.21 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 108.594 -0.891 . . . . 10.0 108.594 178.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 72.0 p -134.28 179.24 6.39 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.564 0.697 . . . . 10.0 112.545 -178.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 3.0 t -153.21 126.15 8.4 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.822 -1.081 . . . . 10.0 108.429 178.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 146' ' ' ALA . . . . . 0.448 ' N ' ' O6 ' ' B' ' 201' ' ' GSP . . . -78.54 -30.51 47.01 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.915 -0.402 . . . . 10.0 109.915 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -63.11 -35.45 80.32 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.673 -0.694 . . . . 10.0 111.136 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 32.2 p -104.85 -11.66 16.65 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 121.02 -0.272 . . . . 10.0 111.558 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 2.8 ttt-85 63.7 25.38 14.2 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.196 0.522 . . . . 10.0 111.127 -178.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -91.57 129.65 37.51 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.238 -179.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 85.63 -8.87 70.21 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.992 -0.623 . . . . 10.0 112.208 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 54.7 t -56.22 -42.28 72.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.015 0.436 . . . . 10.0 111.369 -179.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -67.54 -50.37 58.97 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.779 0.323 . . . . 10.0 111.025 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -56.3 -41.1 75.39 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.887 -0.597 . . . . 10.0 111.892 -178.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -59.1 -53.9 53.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.964 -0.562 . . . . 10.0 111.568 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -68.58 -35.74 77.78 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.223 -0.444 . . . . 10.0 112.186 -178.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -61.12 -45.3 95.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.073 0.463 . . . . 10.0 110.578 179.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 22.8 m -69.18 -34.09 74.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.817 -0.628 . . . . 10.0 110.791 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 32.9 tp -60.02 -42.74 95.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.023 -0.535 . . . . 10.0 111.314 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 62.8 t -74.39 -40.57 49.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.717 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 7.5 ttp180 -57.5 -37.11 72.45 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.454 -0.794 . . . . 10.0 111.75 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -62.77 -37.17 85.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.386 -0.37 . . . . 10.0 110.837 179.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 59.2 mt -65.42 -42.63 93.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 N-CA-C 109.327 -0.62 . . . . 10.0 109.327 179.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 -60.94 -41.74 96.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 10.0 109.713 178.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 34.7 ttmt -60.22 -47.38 86.2 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.537 -0.756 . . . . 10.0 110.327 179.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 11.2 t-160 -61.93 -46.68 88.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.846 -0.615 . . . . 10.0 111.519 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 61.8 mttt -63.1 -39.04 93.54 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.796 0.295 . . . . 10.0 111.796 -179.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -69.53 -43.03 73.83 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.18 0.514 . . . . 10.0 109.965 179.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 45.3 tttm -62.57 -35.42 79.43 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.386 -0.824 . . . . 10.0 111.605 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 82.4 mmm -67.43 -21.83 65.54 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.453 -0.339 . . . . 10.0 111.377 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 49.9 m -80.34 -16.84 53.64 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 121.426 0.631 . . . . 10.0 109.992 178.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -88.99 -33.87 17.04 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.636 -0.876 . . . . 10.0 108.636 178.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 173' ' ' ASP . . . . . . . . . . . . . 2.3 t70 68.8 -173.93 0.19 Allowed 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.356 -0.838 . . . . 10.0 110.097 -179.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . -78.16 -37.27 29.03 Favored Glycine 0 N--CA 1.451 -0.324 0 N-CA-C 109.602 -1.399 . . . . 10.0 109.602 178.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 175' ' ' LYS . . . . . 0.441 ' NZ ' ' O4 ' ' B' ' 210' ' ' 17F . 3.0 ttmm -177.5 -162.24 0.07 Allowed 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 107.56 -1.274 . . . . 10.0 107.56 179.393 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 176' ' ' LYS . . . . . . . . . . . . . 20.4 ttmt 69.24 -67.91 0.2 Allowed 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 122.726 0.41 . . . . 10.0 111.844 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 177' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -75.58 -80.08 0.09 Allowed 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.443 0.534 . . . . 10.0 112.443 -178.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.31 53.05 1.78 Allowed 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 120.998 0.428 . . . . 10.0 110.856 -178.699 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 179' ' ' LYS . . . . . . . . . . . . . 57.5 tttt -68.88 -56.91 6.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.002 -0.545 . . . . 10.0 111.557 -178.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 24.8 mmtp -89.44 63.45 6.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.021 0.439 . . . . 10.0 111.842 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 69.1 m -83.17 116.91 22.57 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.915 -0.584 . . . . 10.0 111.327 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 31.3 ttmt -97.49 72.31 2.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.985 -0.552 . . . . 10.0 109.965 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 183' ' ' THR . . . . . 0.421 ' CB ' ' C7 ' ' A' ' 409' ' ' PCW . 1.7 p -100.52 -179.83 4.22 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.837 -0.619 . . . . 10.0 110.824 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 184' ' ' LYS . . . . . 0.435 ' N ' ' C7 ' ' A' ' 409' ' ' PCW . 27.3 mttt . . . . . 0 C--O 1.237 0.4 0 CA-C-O 120.746 0.308 . . . . 10.0 111.318 -178.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 4.2 m . . . . . 0 N--CA 1.45 -0.43 0 CA-C-O 120.739 0.304 . . . . 10.0 110.351 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -81.17 129.76 34.72 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.365 -0.38 . . . . 10.0 110.646 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -90.19 138.86 31.18 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.916 -0.402 . . . . 10.0 109.916 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -133.78 120.55 20.66 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 110.096 -0.335 . . . . 10.0 110.096 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 58.1 mttm -85.53 106.09 16.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.948 0.404 . . . . 10.0 111.063 -179.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 44.2 mt -106.68 118.62 37.15 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.687 -0.688 . . . . 10.0 110.781 -179.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 58.1 t -106.63 128.35 61.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.544 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 4.6 t -93.45 119.65 41.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 109.627 -0.508 . . . . 10.0 109.627 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 7.0 m -116.94 140.98 37.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.959 0.409 . . . . 10.0 111.154 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 166.57 168.23 28.44 Favored Glycine 0 N--CA 1.444 -0.809 0 C-N-CA 120.598 -0.811 . . . . 10.0 111.464 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.39 -164.93 0.09 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.732 0.777 . . . . 10.0 112.805 -179.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -86.02 142.96 28.38 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.395 -0.82 . . . . 10.0 111.976 -179.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 59.35 30.47 67.91 Favored Glycine 0 N--CA 1.448 -0.543 0 CA-C-N 115.493 -0.776 . . . . 10.0 114.663 178.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 22.4 m -89.76 -28.33 5.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 117.634 0.717 . . . . 10.0 111.663 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 118.82 18.89 4.6 Favored Glycine 0 C--O 1.227 -0.284 0 C-N-CA 120.654 -0.784 . . . . 10.0 114.243 178.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 15.5 mtmm -62.03 -42.94 99.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.398 0.618 . . . . 10.0 111.024 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 24.5 m -72.87 -43.56 62.39 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.916 -0.583 . . . . 10.0 110.06 179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.76 -47.21 83.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.356 -0.384 . . . . 10.0 111.413 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 36.0 mt -59.73 -47.89 83.85 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.984 0.421 . . . . 10.0 110.77 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 11.8 m -65.85 -49.16 69.15 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 115.603 -0.726 . . . . 10.0 112.205 -179.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 88.7 mt -60.48 -39.19 80.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.034 0.445 . . . . 10.0 110.891 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -69.01 -15.02 63.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.17 -0.468 . . . . 10.0 111.524 179.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 18.4 tp -97.94 -37.38 9.82 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.172 0.511 . . . . 10.0 110.871 179.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 41.7 mm -79.13 -63.61 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.077 -0.51 . . . . 10.0 111.347 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -89.06 -18.01 28.16 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.715 0.265 . . . . 10.0 111.715 -179.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 24.5 m-80 67.67 40.96 2.37 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 113.583 0.957 . . . . 10.0 113.583 178.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 3.9 p80 -141.75 152.19 43.57 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.15 -0.477 . . . . 10.0 109.893 178.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -104.49 130.54 52.41 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.966 0.412 . . . . 10.0 110.813 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 2.9 m -96.24 145.46 8.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.02 -0.537 . . . . 10.0 110.203 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -101.43 -17.34 16.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.317 0.579 . . . . 10.0 110.186 179.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -92.23 140.28 29.77 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.461 -0.79 . . . . 10.0 110.289 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -86.98 119.79 27.56 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.997 -0.547 . . . . 10.0 111.131 -179.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -111.74 115.06 51.61 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.218 -0.447 . . . . 10.0 110.362 178.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -66.27 100.86 0.48 Allowed 'Trans proline' 0 N--CA 1.462 -0.357 0 C-N-CA 122.551 2.167 . . . . 10.0 111.466 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -88.5 132.95 34.29 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.344 179.688 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 48.0 mm -104.78 -58.04 4.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.028 -0.73 . . . . 10.0 109.028 178.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -152.01 89.79 1.48 Allowed 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.713 -0.676 . . . . 10.0 110.24 179.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -128.16 130.18 47.66 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 110.055 -0.35 . . . . 10.0 110.055 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 22.6 p -120.48 151.92 38.7 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.22 0.533 . . . . 10.0 112.425 -178.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -133.07 154.67 50.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.741 -0.663 . . . . 10.0 109.405 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -123.4 124.14 42.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.967 0.413 . . . . 10.0 111.068 -179.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -137.34 135.19 36.83 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.458 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -110.18 114.15 27.41 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.06 0.457 . . . . 10.0 110.477 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 5.9 m -127.27 169.03 19.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.967 -0.56 . . . . 10.0 111.129 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 47.0 t -96.93 99.79 9.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.938 0.399 . . . . 10.0 110.412 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 49.6 mt -107.25 119.81 57.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.299 -0.41 . . . . 10.0 110.794 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 66.93 8.35 6.02 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.249 -0.887 . . . . 10.0 112.24 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 111.68 -18.66 24.51 Favored Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.701 -0.762 . . . . 10.0 112.539 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -104.6 137.22 42.76 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.607 0.242 . . . . 10.0 110.47 -179.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -69.71 127.13 31.87 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.673 -0.491 . . . . 10.0 109.673 179.279 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 9.1 m -125.16 135.2 52.4 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 112.065 0.395 . . . . 10.0 112.065 -178.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 53.2 tp -94.84 104.43 16.33 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.077 -1.083 . . . . 10.0 108.077 178.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 32.1 mt -82.45 116.25 21.82 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 112.628 0.603 . . . . 10.0 112.628 -177.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -98.59 88.85 4.2 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 107.436 -1.32 . . . . 10.0 107.436 177.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 21.3 mt -93.61 135.1 29.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.765 -0.652 . . . . 10.0 111.736 -177.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 22.5 tp -133.33 122.77 24.3 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.88 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -87.25 132.65 33.84 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 109.215 -0.661 . . . . 10.0 109.215 178.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 44.8 p -103.16 149.99 24.1 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.92 0.39 . . . . 10.0 111.427 -178.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.27 111.93 5.51 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.356 179.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -85.4 25.76 6.14 Favored Glycine 0 C--O 1.23 -0.121 0 C-N-CA 120.839 -0.696 . . . . 10.0 112.983 -179.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -95.18 6.81 48.02 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.529 0.204 . . . . 10.0 110.973 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 62.59 -148.76 0.36 Allowed 'General case' 0 C--O 1.236 0.367 0 N-CA-C 109.46 -0.57 . . . . 10.0 109.46 -178.678 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 72.28 -49.29 0.69 Allowed 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 112.604 0.594 . . . . 10.0 112.604 178.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -75.93 70.71 2.69 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.597 0.592 . . . . 10.0 112.597 -178.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.18 -25.66 52.07 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.925 0.393 . . . . 10.0 110.721 179.477 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -91.83 -35.99 13.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.495 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 34.7 ttp -67.16 -25.56 66.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.387 0.613 . . . . 10.0 110.928 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.07 -31.24 72.0 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.668 -0.697 . . . . 10.0 111.477 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -59.31 -36.41 75.57 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 112.746 0.647 . . . . 10.0 112.746 -178.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -64.25 -59.83 3.93 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 113.138 0.792 . . . . 10.0 113.138 -178.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 71' ' ' TYR . . . . . . . . . . . . . 7.8 p90 -69.06 -21.92 64.06 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.043 1.127 . . . . 10.0 114.043 -178.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 26.6 mtt -72.91 -28.93 62.75 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.122 0.487 . . . . 10.0 111.127 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 36.7 ttm105 -86.12 -35.34 20.25 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.419 179.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 3.3 m -79.5 -23.22 43.11 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.806 -0.634 . . . . 10.0 111.836 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -82.08 143.99 23.44 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.595 -0.812 . . . . 10.0 113.588 -179.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -102.09 -54.13 2.77 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.307 0.575 . . . . 10.0 109.791 179.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -106.34 132.28 11.05 Favored Glycine 0 N--CA 1.445 -0.703 0 N-CA-C 110.816 -0.914 . . . . 10.0 110.816 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 78' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -113.96 124.4 52.08 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.182 0.515 . . . . 10.0 111.939 -179.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 16.8 tp -98.81 107.82 20.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.747 -0.66 . . . . 10.0 109.963 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 4.2 m -82.85 92.76 7.34 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.45 -179.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 62.7 t -95.22 130.28 44.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.087 0.47 . . . . 10.0 111.543 -179.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 29.4 p90 -144.22 147.85 34.16 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.697 -0.683 . . . . 10.0 109.847 178.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -88.0 134.37 33.75 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.489 -0.323 . . . . 10.0 110.168 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 84' ' ' ILE . . . . . . . . . . . . . 29.6 pt -69.0 -15.73 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.953 0.406 . . . . 10.0 111.858 -179.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 26.4 p-10 -104.15 22.47 14.67 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.45 0.643 . . . . 10.0 110.056 179.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -147.13 99.39 3.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.609 -0.723 . . . . 10.0 110.518 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 1.8 m -63.46 -26.89 68.93 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.003 -0.544 . . . . 10.0 111.932 -179.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 21.6 tptp -57.51 -49.38 76.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.682 -0.236 . . . . 10.0 110.52 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.89 -27.2 67.32 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.052 -0.522 . . . . 10.0 111.918 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -69.41 -49.58 53.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.834 0.349 . . . . 10.0 111.258 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -74.34 -23.86 59.1 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.362 -0.381 . . . . 10.0 111.034 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -64.92 -25.73 68.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.913 -0.585 . . . . 10.0 111.466 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 36.8 mm -54.93 -41.7 59.59 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 CA-C-O 120.962 0.411 . . . . 10.0 110.653 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -61.46 -43.77 98.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.937 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 60.8 m-70 -62.97 -43.12 99.65 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.618 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -64.84 -44.36 90.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.622 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 35.0 ttt-85 -56.88 -45.13 82.73 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 116.303 -0.408 . . . . 10.0 111.389 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -64.12 -43.73 94.42 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.464 -0.335 . . . . 10.0 111.075 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -64.04 -43.53 95.27 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.927 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 77.0 mt -60.56 -50.38 80.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.085 0.469 . . . . 10.0 110.284 179.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -63.98 -28.31 69.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.876 -0.602 . . . . 10.0 111.796 -179.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 14.0 ttm180 -75.13 -48.95 21.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.575 179.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 87.2 t -63.48 -48.06 88.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.881 -179.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -77.55 -15.68 59.11 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.803 0.335 . . . . 10.0 111.411 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 28.6 t70 57.34 53.44 7.59 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.518 -0.764 . . . . 10.0 111.207 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 15.9 t -161.05 143.04 12.18 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.507 -0.77 . . . . 10.0 109.97 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -85.1 -24.21 28.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.155 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -96.25 96.61 8.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.177 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 60.6 t -130.59 129.75 22.8 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.135 -0.484 . . . . 10.0 109.913 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -62.56 99.72 0.21 Allowed 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.602 2.202 . . . . 10.0 111.928 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 111' ' ' MET . . . . . . . . . . . . . 85.2 mtp -132.24 144.08 50.37 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.214 -179.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 68.9 t -129.28 132.12 67.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.311 -0.404 . . . . 10.0 110.547 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 19.8 tp -87.31 120.68 28.85 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.742 -0.466 . . . . 10.0 109.742 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 4.7 t -123.79 118.66 54.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 112.598 0.592 . . . . 10.0 112.598 -179.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -93.34 127.32 8.97 Favored Glycine 0 N--CA 1.443 -0.874 0 N-CA-C 109.188 -1.565 . . . . 10.0 109.188 177.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 116' ' ' ASN . . . . . 0.406 ' ND2' ' N7 ' ' C' ' 201' ' ' GSP . 65.7 t30 -112.86 164.92 12.83 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 112.493 0.553 . . . . 10.0 112.493 -178.255 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 81.1 mttt 70.76 32.5 2.47 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 113.134 0.79 . . . . 10.0 113.134 179.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 118' ' ' CYS . . . . . . . . . . . . . 91.5 m -75.2 11.05 1.27 Allowed 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.491 0.552 . . . . 10.0 112.491 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -97.92 -15.33 20.2 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.659 0.742 . . . . 10.0 109.244 179.14 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 15.9 mt -88.61 145.53 35.44 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.123 -0.944 . . . . 10.0 111.204 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -84.73 177.13 5.73 Favored 'Trans proline' 0 N--CA 1.455 -0.744 0 C-N-CA 122.44 2.093 . . . . 10.0 110.598 178.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 1.6 m 56.86 68.13 0.9 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.008 0.432 . . . . 10.0 111.061 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 5.1 ptp180 -80.56 137.27 36.39 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.152 -0.477 . . . . 10.0 111.789 -179.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.19 -42.28 10.53 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.321 0.582 . . . . 10.0 109.893 179.38 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 58.2 t -89.65 128.74 41.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.533 -0.758 . . . . 10.0 109.617 179.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -90.38 139.73 30.39 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.779 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 5.5 m -60.87 -45.29 95.13 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.405 -0.361 . . . . 10.0 111.31 -179.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 4.9 ptmt -57.08 -36.39 70.52 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 113.881 1.067 . . . . 10.0 113.881 -178.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -74.32 -22.57 59.19 Favored 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 111.973 0.36 . . . . 10.0 111.973 -179.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -93.32 -27.13 16.97 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.024 179.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -60.15 -60.44 3.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.557 -0.747 . . . . 10.0 112.182 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -69.81 -22.4 63.31 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.741 0.305 . . . . 10.0 111.666 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 56.4 tp -64.02 -43.51 95.39 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.757 -0.831 . . . . 10.0 108.757 178.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -73.62 -29.15 62.19 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.607 -0.724 . . . . 10.0 110.503 179.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 6.4 tmm_? -64.25 -42.9 96.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.886 179.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 8.7 t -58.39 -34.35 70.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.951 -179.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -93.77 -24.44 17.8 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.029 0.442 . . . . 10.0 111.735 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 86.71 43.1 6.19 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.867 -0.683 . . . . 10.0 112.152 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 10.6 pt -122.24 145.73 45.02 Favored Pre-proline 0 C--N 1.326 -0.421 0 N-CA-C 110.422 -0.214 . . . . 10.0 110.422 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -68.37 147.63 72.01 Favored 'Trans proline' 0 C--O 1.236 0.399 0 C-N-CA 122.916 2.41 . . . . 10.0 112.197 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -130.12 119.42 23.0 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.812 -0.631 . . . . 10.0 110.546 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 54.8 mt -119.65 133.63 65.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.077 -0.712 . . . . 10.0 109.077 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -125.02 105.85 9.5 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 110.264 -0.273 . . . . 10.0 110.264 -179.603 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -149.54 -146.81 0.21 Allowed 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 111.691 0.256 . . . . 10.0 111.691 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 28.8 t -154.65 143.19 20.64 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.009 0.433 . . . . 10.0 111.257 -178.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -77.68 -32.66 53.23 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.279 -0.637 . . . . 10.0 109.279 178.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -56.8 -39.87 74.92 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.107 -0.952 . . . . 10.0 111.13 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 148' ' ' THR . . . . . 0.455 ' C ' ' H ' ' C' ' 150' ' ' GLN . 0.0 OUTLIER -90.39 -9.83 46.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 10.0 111.575 -179.848 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 73.65 -28.98 0.19 Allowed 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.653 0.781 . . . . 10.0 112.323 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 150' ' ' GLN . . . . . 0.455 ' H ' ' C ' ' C' ' 148' ' ' THR . 56.6 tt0 -62.91 127.21 30.2 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.868 -0.605 . . . . 10.0 110.499 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 99.2 -16.8 58.81 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.91 -0.662 . . . . 10.0 112.867 179.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 98.8 t -68.0 -39.64 81.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.715 0.293 . . . . 10.0 111.076 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -59.64 -54.08 50.61 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.81 0.338 . . . . 10.0 110.589 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -63.04 -33.81 76.24 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.867 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -56.4 -32.08 64.47 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.374 -0.375 . . . . 10.0 111.624 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -101.3 -27.68 13.05 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.405 -0.361 . . . . 10.0 111.283 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -66.96 -55.5 14.25 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.33 0.493 . . . . 10.0 112.33 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 22.9 m -60.21 -34.92 74.32 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 120.683 0.277 . . . . 10.0 111.508 -179.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 57.1 tp -58.4 -46.8 85.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 10.0 111.312 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 98.6 t -66.77 -37.88 80.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.195 0.522 . . . . 10.0 110.355 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 8.9 ttp180 -64.59 -34.71 78.9 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.571 -0.74 . . . . 10.0 111.061 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -66.87 -31.99 72.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.351 -0.386 . . . . 10.0 110.668 179.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 57.2 mt -65.67 -38.11 81.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 108.922 -0.77 . . . . 10.0 108.922 178.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 69.3 mtt180 -69.47 -44.53 70.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.123 -0.944 . . . . 10.0 109.114 178.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 31.7 ttmt -59.71 -40.13 86.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.78 -0.646 . . . . 10.0 110.753 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 19.8 t-80 -55.76 -46.83 77.78 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.06 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -62.51 -46.15 89.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.075 -0.511 . . . . 10.0 111.03 -179.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -65.85 -41.26 91.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.3 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.65 -45.11 91.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.666 -0.697 . . . . 10.0 110.379 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 80.9 mmm -65.03 -27.44 68.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.871 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 47.6 m -70.12 -24.11 63.14 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.051 0.453 . . . . 10.0 110.709 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -103.03 -2.62 27.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.019 -0.537 . . . . 10.0 109.762 179.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 173' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.34 -11.87 59.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.685 -0.689 . . . . 10.0 111.575 -179.041 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . -85.79 58.97 4.8 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.841 -0.695 . . . . 10.0 112.084 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 175' ' ' LYS . . . . . 0.455 ' NZ ' ' O5 ' ' C' ' 215' ' ' 17F . 10.0 tmtt? -91.8 138.04 31.87 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.757 0.313 . . . . 10.0 110.445 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 176' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -149.16 -155.01 0.59 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.176 -0.465 . . . . 10.0 110.735 179.203 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 177' ' ' LYS . . . . . . . . . . . . . 28.9 tptp 74.86 106.19 0.07 Allowed 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.298 0.57 . . . . 10.0 112.464 179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 178' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -93.79 177.66 5.93 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.592 -0.731 . . . . 10.0 109.771 178.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 179' ' ' LYS . . . . . . . . . . . . . 8.4 tmtm? -95.39 -39.46 10.0 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.76 0.314 . . . . 10.0 110.558 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 180' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.05 131.49 51.2 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 116.286 -0.415 . . . . 10.0 110.769 178.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 19.6 m -116.71 -111.16 0.35 Allowed 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 112.263 0.468 . . . . 10.0 112.263 -179.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 182' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.42 163.07 16.59 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 110.14 -0.319 . . . . 10.0 110.14 -179.47 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.77 114.09 16.28 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.488 -0.324 . . . . 10.0 110.563 179.392 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 184' ' ' LYS . . . . . . . . . . . . . 49.3 mttp . . . . . 0 C--O 1.236 0.382 0 CA-C-N 116.394 -0.366 . . . . 10.0 111.556 179.845 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 401' ' ' PCW . . . . . 0.542 ' C5 ' ' O31' ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 402' ' ' PCW . . . . . 0.698 ' C35' ' O31' ' A' ' 402' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 403' ' ' PCW . . . . . 0.801 ' C31' ' C36' ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 404' ' ' PCW . . . . . 0.642 ' C22' ' C18' ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 405' ' ' PCW . . . . . 0.517 ' C6 ' ' O2 ' ' B' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 406' ' ' PCW . . . . . 0.551 ' O3P' ' O31' ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 407' ' ' PCW . . . . . 0.716 ' C21' ' C17' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 408' ' ' PCW . . . . . 0.568 ' O4P' ' C6 ' ' A' ' 408' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 409' ' ' PCW . . . . . 0.789 ' C14' ' C19' ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 410' ' ' PCW . . . . . 0.537 ' C35' ' O31' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 411' ' ' PCW . . . . . 0.456 ' C14' ' C1 ' ' A' ' 408' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 412' ' ' PCW . . . . . 0.426 ' O31' ' O3 ' ' A' ' 412' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 413' ' ' PCW . . . . . 0.496 ' C8 ' ' O2P' ' C' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 414' ' ' PCW . . . . . 0.647 ' C47' ' C43' ' A' ' 414' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 415' ' ' 17F . . . . . 0.48 ' C4 ' ' O10' ' A' ' 415' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 416' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 417' ' ' PCW . . . . . 0.434 ' C2 ' ' O11' ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 418' ' ' PCW . . . . . 0.609 ' C6 ' ' O4P' ' A' ' 418' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 419' ' ' PCW . . . . . 0.427 ' C43' ' C44' ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 420' ' ' PCW . . . . . 0.56 ' O2 ' ' C42' ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 421' ' ' PCW . . . . . 0.55 ' C12' ' C9 ' ' D' ' 630' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 422' ' ' 17F . . . . . 0.468 ' O10' ' O7 ' ' A' ' 422' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 601' ' ' PCW . . . . . 0.661 ' C43' ' C47' ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 602' ' ' PCW . . . . . 0.614 ' C21' ' C17' ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 603' ' ' PCW . . . . . 0.613 ' C41' ' C37' ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 604' ' ' PCW . . . . . 0.616 ' O3 ' ' O31' ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 605' ' ' PCW . . . . . 0.695 ' O31' ' P ' ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 606' ' ' PCW . . . . . 0.638 ' C6 ' ' O4P' ' D' ' 606' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 607' ' ' PCW . . . . . 0.521 ' C11' ' O31' ' D' ' 607' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 608' ' ' PCW . . . . . 0.43 ' O11' ' C2 ' ' D' ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 609' ' ' PCW . . . . . 0.552 ' C12' ' C7 ' ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 610' ' ' PCW . . . . . 0.648 ' C20' ' C24' ' D' ' 610' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 611' ' ' PCW . . . . . 0.484 ' C21' ' C43' ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 612' ' ' PCW . . . . . 0.566 ' O2P' ' C6 ' ' D' ' 620' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 613' ' ' PCW . . . . . 0.838 ' C21' ' C17' ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 614' ' ' PCW . . . . . 0.559 ' C3 ' ' O31' ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 615' ' ' PCW . . . . . 0.67 ' C46' ' C42' ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 616' ' ' PCW . . . . . 0.552 ' C7 ' ' C12' ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 617' ' ' PCW . . . . . 0.562 ' C3 ' ' O2P' ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 618' ' ' PCW . . . . . 0.636 ' C23' ' C27' ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 619' ' ' PCW . . . . . 0.437 ' C14' ' C37' ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 620' ' ' PCW . . . . . 0.566 ' C6 ' ' O2P' ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 621' ' ' PCW . . . . . 0.545 ' O4P' ' C7 ' ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 622' ' ' PCW . . . . . 0.538 ' O3P' ' O31' ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 623' ' ' PCW . . . . . 0.719 ' C32' ' C36' ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 624' ' ' PCW . . . . . 0.624 ' C24' ' C20' ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 625' ' ' PCW . . . . . 0.636 ' C15' ' C19' ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 626' ' ' PCW . . . . . 0.653 ' C23' ' C27' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 627' ' ' PCW . . . . . 0.514 ' C20' ' C35' ' C' ' 217' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 628' ' ' 17F . . . . . 0.637 ' C31' ' C19' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 629' ' ' 17F . . . . . 0.587 ' O10' ' O7 ' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 630' ' ' 17F . . . . . 0.55 ' C9 ' ' C12' ' A' ' 421' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 631' ' ' 17F . . . . . 0.536 ' O10' ' O7 ' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 632' ' ' 17F . . . . . 0.546 ' C37' ' C32' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 201' ' ' GSP . . . . . 0.608 ' O3G' 'MG ' ' B' ' 202' ' ' ' MG' . . . . . . . . 0 O4'--C1' 1.438 2.006 1 O4'-C1'-N19 112.885 4.685 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 202' ' ' ' MG' . . . . . 0.608 'MG ' ' O3G' ' B' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 203' ' ' PCW . . . . . 0.526 ' C5 ' ' O31' ' C' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 204' ' ' PCW . . . . . 0.615 ' C23' ' C27' ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 205' ' ' PCW . . . . . 0.623 ' C21' ' C25' ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 206' ' ' PCW . . . . . 0.562 ' C6 ' ' O4P' ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 207' ' ' PCW . . . . . 0.656 ' O1P' ' C3 ' ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 208' ' ' PCW . . . . . 0.59 ' C43' ' C47' ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 209' ' ' 17F . . . . . 0.683 ' C31' ' C19' ' B' ' 209' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 210' ' ' 17F . . . . . 0.441 ' O4 ' ' NZ ' ' B' ' 175' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 211' ' ' 17F . . . . . 0.553 ' O8 ' ' C3 ' ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 201' ' ' GSP . . . . . 0.641 ' O3G' 'MG ' ' C' ' 202' ' ' ' MG' . . . . . . . . 0 O4'--C1' 1.439 2.108 2 O4'-C1'-N19 113.53 5.33 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 202' ' ' ' MG' . . . . . 0.641 'MG ' ' O3G' ' C' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 203' ' ' PCW . . . . . 0.611 ' C21' ' C25' ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 204' ' ' PCW . . . . . 0.642 ' C42' ' C46' ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 205' ' ' PCW . . . . . 0.552 ' O1P' ' O2 ' ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 206' ' ' PCW . . . . . 0.644 ' C18' ' C17' ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 207' ' ' PCW . . . . . 0.582 ' O1P' ' C3 ' ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 208' ' ' PCW . . . . . 0.644 ' C17' ' C18' ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 209' ' ' PCW . . . . . 0.651 ' C22' ' C26' ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 210' ' ' PCW . . . . . 0.694 ' C26' ' C22' ' C' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 211' ' ' PCW . . . . . 0.526 ' O31' ' C5 ' ' B' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 212' ' ' PCW . . . . . 0.635 ' C20' ' C24' ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 213' ' ' 17F . . . . . 0.508 ' O7 ' ' O10' ' C' ' 213' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 214' ' ' 17F . . . . . 0.433 ' O2 ' ' C7 ' ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 215' ' ' 17F . . . . . 0.627 ' HN1' ' P1 ' ' C' ' 215' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 216' ' ' PCW . . . . . 0.498 ' C23' ' C48' ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 217' ' ' PCW . . . . . 0.548 ' O3P' ' O31' ' C' ' 217' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 218' ' ' 17F . . . . . 0.669 ' O7 ' ' C18' ' C' ' 218' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 219' ' ' 17F . . . . . 0.439 ' C1Z' ' C14' ' C' ' 217' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 64.7 mt . . . . . 0 N--CA 1.463 0.176 0 CA-C-O 121.204 0.526 . . . . 10.0 110.242 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -57.67 -50.14 74.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.256 -0.884 . . . . 10.0 111.56 -179.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 89.0 mt -68.48 -34.16 75.44 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.065 0.394 . . . . 10.0 112.065 -179.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 73.7 mt -68.58 -50.66 50.0 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.132 -0.485 . . . . 10.0 111.034 -179.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.26 -38.28 86.14 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 121.014 0.435 . . . . 10.0 111.314 179.763 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -72.61 -26.54 61.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.253 -0.431 . . . . 10.0 111.271 179.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 7.8 t90 -70.31 -28.37 65.12 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.649 -0.5 . . . . 10.0 109.649 179.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -63.16 -34.19 77.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.9 -0.591 . . . . 10.0 110.356 179.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.99 -29.24 67.4 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.305 0.574 . . . . 10.0 109.906 178.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 23.4 t -74.44 -40.81 49.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 108.81 -0.811 . . . . 10.0 108.81 178.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 22.4 m -60.62 -45.72 92.97 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.568 -0.742 . . . . 10.0 110.331 179.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 2.8 p -64.66 -45.39 86.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.356 -0.383 . . . . 10.0 110.67 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 88.8 m -59.79 -45.33 92.64 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.327 178.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -64.1 -37.91 89.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.562 179.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 61.6 m -62.26 -46.28 89.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.072 -0.513 . . . . 10.0 109.83 179.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -65.4 -39.39 92.14 Favored 'General case' 0 CA--C 1.521 -0.137 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.032 179.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 52.7 mt -59.45 -42.56 92.25 Favored 'General case' 0 C--O 1.226 -0.159 0 CA-C-N 115.888 -0.596 . . . . 10.0 109.957 178.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 50.2 mtt180 -67.87 -37.28 81.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.076 -0.511 . . . . 10.0 111.227 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -67.3 -25.83 66.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.126 0.489 . . . . 10.0 109.922 179.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -88.68 -32.4 18.01 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.71 -0.677 . . . . 10.0 109.362 178.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 26.2 mt -57.8 -31.99 67.11 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.971 -0.559 . . . . 10.0 111.15 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -58.39 -67.44 2.19 Favored Glycine 0 C--N 1.332 0.318 0 N-CA-C 110.344 -1.103 . . . . 10.0 110.344 178.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -53.51 -36.26 79.43 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.662 2.242 . . . . 10.0 110.663 177.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 24.9 t -58.99 -52.89 55.24 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.209 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.792 178.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 2.4 p -65.1 -35.16 80.25 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.986 -0.285 . . . . 10.0 110.722 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -65.74 -55.64 16.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.841 0.353 . . . . 10.0 110.475 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -65.05 -41.1 95.47 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.099 -0.5 . . . . 10.0 111.862 -179.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -63.87 -47.15 81.83 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.597 -0.274 . . . . 10.0 110.636 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -68.37 -35.75 78.17 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.408 -0.36 . . . . 10.0 110.805 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -60.49 -48.44 81.75 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.483 -0.562 . . . . 10.0 109.483 178.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -68.62 -33.23 73.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.831 -0.622 . . . . 10.0 109.934 178.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 9.8 mt -64.02 -36.71 84.88 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 115.928 -0.578 . . . . 10.0 109.446 178.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -65.89 -28.65 69.11 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-N 115.776 -0.647 . . . . 10.0 110.49 178.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 57.3 mttt -74.86 -43.78 52.61 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.798 -0.816 . . . . 10.0 108.798 178.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -63.14 -45.48 91.73 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.838 -0.619 . . . . 10.0 109.986 178.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 6.5 p -66.72 -35.43 80.1 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.096 -0.502 . . . . 10.0 109.658 178.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -61.02 -46.11 92.06 Favored 'General case' 0 C--O 1.231 0.081 0 N-CA-C 108.522 -0.918 . . . . 10.0 108.522 177.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -59.51 -46.53 93.79 Favored Glycine 0 N--CA 1.444 -0.827 0 N-CA-C 110.562 -1.015 . . . . 10.0 110.562 177.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 17.5 mt -63.38 -33.21 75.03 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-O 120.515 0.198 . . . . 10.0 110.993 178.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 57.5 mtt180 -67.32 -41.25 85.61 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.327 -0.62 . . . . 10.0 109.327 178.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -70.4 -41.63 72.73 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-N 115.711 -0.677 . . . . 10.0 109.648 178.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -67.89 -24.85 65.27 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-N 115.773 -0.649 . . . . 10.0 109.997 179.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 59.7 ttm -63.42 -30.84 71.9 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.54 -0.541 . . . . 10.0 109.54 178.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 3.6 m -76.91 5.64 7.56 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.553 -0.748 . . . . 10.0 110.742 179.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 36.0 mttm -130.54 -50.16 1.07 Allowed 'General case' 0 C--O 1.224 -0.246 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.104 179.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 246' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.18 -59.34 5.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.665 179.605 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . 20.5 mt -74.49 -35.63 63.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.462 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -63.79 -55.48 22.76 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.621 -0.263 . . . . 10.0 111.457 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.04 -37.65 88.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.723 -0.217 . . . . 10.0 111.012 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 250' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -63.51 -32.17 55.7 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.636 0 C-N-CA 120.531 -0.468 . . . . 10.0 111.08 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -85.86 -35.83 20.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.158 0.504 . . . . 10.0 111.078 179.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -70.58 -35.71 73.19 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.15 0.5 . . . . 10.0 110.246 179.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 31.3 mtpt -91.39 -20.89 21.32 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.016 -0.538 . . . . 10.0 111.802 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 254' ' ' VAL . . . . . . . . . . . . . 1.9 p -63.36 -26.2 40.25 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 C-N-CA 120.61 -0.436 . . . . 10.0 110.816 179.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -63.87 -62.89 4.55 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.29 -0.413 . . . . 10.0 110.332 179.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -62.67 -30.25 78.5 Favored 'Trans proline' 0 C--N 1.359 1.117 0 C-N-CA 121.833 1.689 . . . . 10.0 111.322 178.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 5.5 m-30 -65.5 -56.57 11.67 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.102 0.477 . . . . 10.0 109.901 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 40.1 mt -64.57 -38.58 91.51 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.746 -0.661 . . . . 10.0 111.019 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -61.42 -40.61 95.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.972 0.415 . . . . 10.0 110.407 179.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -67.13 -48.42 68.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.898 -0.592 . . . . 10.0 109.955 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -64.84 -45.98 83.85 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.952 -0.567 . . . . 10.0 111.17 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -59.26 -46.06 89.52 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.415 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.66 -50.62 71.78 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.977 -0.556 . . . . 10.0 110.224 179.736 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 264' ' ' LYS . . . . . . . . . . . . . 67.0 mttt -62.21 -40.56 96.53 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.306 -0.406 . . . . 10.0 111.252 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 5.5 m95 -65.67 -35.75 81.67 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.906 -0.405 . . . . 10.0 109.906 178.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -65.06 -42.51 94.12 Favored 'General case' 0 CA--C 1.519 -0.223 0 N-CA-C 108.194 -1.039 . . . . 10.0 108.194 178.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -62.21 -43.29 99.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.618 -0.719 . . . . 10.0 109.263 178.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -61.64 -42.19 98.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.529 -0.759 . . . . 10.0 110.065 179.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 90.2 mmm -65.67 -41.56 92.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.619 -0.719 . . . . 10.0 109.921 178.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -58.95 -48.52 81.22 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.34 0.591 . . . . 10.0 109.564 178.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 73.6 mt -61.86 -44.22 97.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.251 -0.886 . . . . 10.0 110.742 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -65.38 -38.22 89.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.178 -0.465 . . . . 10.0 111.019 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 43.8 mtt180 -69.85 -44.53 69.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.438 -0.346 . . . . 10.0 110.467 179.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -68.78 -15.87 63.63 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.686 179.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 275' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -92.82 -46.64 7.44 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.014 -0.539 . . . . 10.0 110.313 179.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 3.0 p -54.08 -31.42 21.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 113.164 0.802 . . . . 10.0 113.164 -178.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -64.47 -64.06 3.14 Favored Pre-proline 0 CA--C 1.535 0.37 0 N-CA-C 111.732 0.271 . . . . 10.0 111.732 179.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -63.86 -36.55 49.86 Favored 'Trans proline' 0 C--N 1.355 0.884 0 C-N-CA 121.762 1.641 . . . . 10.0 111.98 178.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 22.1 mt -61.33 -40.66 95.04 Favored 'General case' 0 CA--C 1.521 -0.169 0 C-N-CA 121.187 -0.205 . . . . 10.0 110.672 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 30.2 mtt180 -68.34 -30.95 70.03 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.466 -0.333 . . . . 10.0 110.288 179.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -66.2 -45.94 79.03 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.06 -0.719 . . . . 10.0 109.06 178.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -62.87 -44.47 96.03 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.402 -0.817 . . . . 10.0 109.206 178.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 10.2 mt -62.68 -44.93 95.0 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.796 179.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -63.35 -51.69 64.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.535 -0.302 . . . . 10.0 111.172 -179.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -65.35 -40.4 93.56 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 121.012 -0.275 . . . . 10.0 111.158 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -63.16 -47.83 84.93 Favored Glycine 0 N--CA 1.446 -0.663 0 N-CA-C 110.483 -1.047 . . . . 10.0 110.483 178.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -64.46 -35.14 79.96 Favored 'General case' 0 C--O 1.22 -0.45 0 N-CA-C 110.056 -0.35 . . . . 10.0 110.056 179.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 57.6 mtt180 -57.43 -48.63 78.63 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 116.387 -0.37 . . . . 10.0 110.119 179.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -65.79 -46.59 78.14 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.249 179.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 69.4 mttt -60.39 -40.43 90.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.27 -0.423 . . . . 10.0 111.12 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 28.3 mt -68.37 -42.65 78.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.223 178.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -64.89 -40.56 95.28 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.783 -0.451 . . . . 10.0 109.783 178.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -62.02 -37.2 84.01 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.542 -0.91 . . . . 10.0 108.542 178.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 3.5 mt -69.11 -49.41 57.3 Favored 'General case' 0 C--O 1.221 -0.418 0 CA-C-N 115.088 -0.96 . . . . 10.0 109.724 178.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -59.19 -37.45 77.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.839 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -67.32 -9.34 40.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.003 -0.544 . . . . 10.0 111.166 179.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 29.4 mmtp -113.47 -39.93 3.97 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.426 178.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 96.5 mt -58.25 -30.26 66.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.225 -0.443 . . . . 10.0 111.224 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 299' ' ' SER . . . . . . . . . . . . . 2.7 m -75.42 -63.87 0.64 Allowed Pre-proline 0 CA--C 1.537 0.453 0 CA-C-N 116.197 -0.456 . . . . 10.0 111.906 179.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 300' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -63.3 -46.05 10.69 Favored 'Trans proline' 0 C--N 1.36 1.133 0 C-N-CA 121.791 1.66 . . . . 10.0 112.581 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 73.1 mt -69.04 -27.66 65.86 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 109.965 -0.383 . . . . 10.0 109.965 179.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -69.32 -49.12 41.04 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 109.573 -1.411 . . . . 10.0 109.573 178.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -60.59 -44.3 96.39 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 109.116 -0.698 . . . . 10.0 109.116 178.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -60.6 -41.93 95.76 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.438 -0.801 . . . . 10.0 109.868 178.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 10.6 tpt -63.16 -44.27 95.96 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 116.172 -0.467 . . . . 10.0 109.952 179.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 58.0 mtt180 -63.99 -45.21 90.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.28 179.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -64.37 -39.53 94.05 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.993 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -72.32 -34.81 68.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 10.0 109.802 178.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -64.28 -32.49 74.1 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 109.251 -0.648 . . . . 10.0 109.251 178.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 310' ' ' ARG . . . . . . . . . . . . . 79.3 mtt180 -58.88 -52.53 65.33 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 109.096 -0.705 . . . . 10.0 109.096 178.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -67.81 -36.93 81.29 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.125 179.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -53.53 -53.44 51.5 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.761 -0.654 . . . . 10.0 110.074 178.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 32.7 t -78.51 -32.78 16.59 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 CA-C-N 115.471 -0.786 . . . . 10.0 111.597 -179.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -57.62 -48.07 80.44 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-O 120.752 0.311 . . . . 10.0 111.207 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -63.62 -41.12 98.31 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.203 179.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 21.1 mt -66.12 -48.96 69.13 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.406 179.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 19.9 ttm105 -59.3 -47.92 83.59 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.827 -179.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 18.2 m -67.13 -20.45 65.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.989 -0.55 . . . . 10.0 111.069 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -89.81 -33.21 16.6 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.961 0.41 . . . . 10.0 110.204 178.479 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 73.9 mt -69.82 -33.72 72.71 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.982 -0.554 . . . . 10.0 111.462 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -53.63 -58.52 12.68 Favored Pre-proline 0 CA--C 1.538 0.507 0 N-CA-C 112.578 0.584 . . . . 10.0 112.578 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -72.28 -33.25 9.37 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 121.526 1.484 . . . . 10.0 111.662 179.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 8.2 m-30 -63.33 -42.56 98.97 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 116.484 -0.326 . . . . 10.0 110.967 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 29.2 p -69.24 -31.45 70.01 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.999 -0.371 . . . . 10.0 109.999 179.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -66.85 -45.65 77.5 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.069 -0.715 . . . . 10.0 109.069 178.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -65.6 -34.82 79.11 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.611 -0.885 . . . . 10.0 108.611 177.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.64 -38.07 86.35 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.714 -0.675 . . . . 10.0 109.45 178.498 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 49.4 mtt180 -62.39 -41.93 99.03 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 109.351 -0.611 . . . . 10.0 109.351 178.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -66.32 -39.14 89.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.783 -0.644 . . . . 10.0 109.309 178.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 18.1 mtt180 -63.76 -47.48 80.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.558 -0.746 . . . . 10.0 109.59 178.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 93.0 mt -62.34 -42.44 99.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.751 -0.658 . . . . 10.0 110.154 179.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -61.2 -51.71 67.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.505 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -60.29 -45.93 91.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.645 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 43.5 mtt-85 -61.45 -47.46 85.62 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.674 179.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 55.1 mt -64.27 -41.46 96.91 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.101 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -63.27 -45.89 89.4 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.321 -0.252 . . . . 10.0 110.321 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -64.07 -39.11 93.36 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.404 -0.591 . . . . 10.0 109.404 178.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 1.9 mt -67.1 -31.28 71.64 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.808 179.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -79.73 -38.93 32.26 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.754 0.311 . . . . 10.0 110.316 178.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -67.51 -54.44 20.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.055 0.455 . . . . 10.0 109.82 179.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -68.93 -39.26 79.7 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.021 -0.536 . . . . 10.0 109.971 179.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -60.86 -41.19 99.14 Favored Glycine 0 N--CA 1.449 -0.49 0 CA-C-N 115.83 -0.623 . . . . 10.0 111.625 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -60.76 -39.42 96.7 Favored Glycine 0 N--CA 1.451 -0.34 0 N-CA-C 110.876 -0.889 . . . . 10.0 110.876 178.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -69.81 -41.27 75.24 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.734 -0.469 . . . . 10.0 109.734 178.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 39.8 mtm180 -64.44 -39.91 94.74 Favored 'General case' 0 C--O 1.227 -0.126 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.173 178.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 30.6 mt -64.12 -46.3 84.76 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 116.143 -0.48 . . . . 10.0 109.792 178.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.93 -41.02 90.85 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.352 -0.61 . . . . 10.0 109.352 179.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -67.33 -45.09 77.47 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.466 -0.788 . . . . 10.0 109.892 178.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 1.3 m-30 -59.86 -42.08 92.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.271 -0.422 . . . . 10.0 111.351 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 54.1 m-70 -63.56 -45.33 90.99 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.871 -0.418 . . . . 10.0 109.871 178.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -63.75 -48.83 75.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.21 179.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 12.6 mtmm -59.94 -39.06 84.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.369 179.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -60.95 -43.71 98.3 Favored 'General case' 0 CA--C 1.519 -0.213 0 N-CA-C 109.579 -0.526 . . . . 10.0 109.579 178.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 39.2 m -64.99 -38.36 90.72 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.303 -0.629 . . . . 10.0 109.303 178.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -63.55 -43.97 95.53 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.1 -0.5 . . . . 10.0 109.746 178.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -64.72 -37.0 86.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.788 -0.642 . . . . 10.0 109.389 178.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 84.4 mt -68.36 -33.56 74.49 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.437 179.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 49.7 m -61.21 -42.05 97.93 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.26 0.552 . . . . 10.0 109.972 178.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -79.85 -30.52 40.37 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.043 178.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 65.3 tp -65.07 -29.38 70.26 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 109.115 -0.698 . . . . 10.0 109.115 178.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 34.8 m -62.6 -33.34 74.79 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.93 -0.577 . . . . 10.0 109.817 178.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -68.98 -22.9 64.07 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.006 178.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 363' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -94.51 -23.79 17.55 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.752 -0.658 . . . . 10.0 109.985 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -80.63 -36.43 32.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.742 -0.663 . . . . 10.0 112.166 -179.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -109.88 -69.67 0.03 OUTLIER Pre-proline 0 CA--C 1.536 0.429 0 N-CA-C 112.984 0.735 . . . . 10.0 112.984 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.12 -63.98 0.17 Allowed 'Trans proline' 0 C--N 1.356 0.924 0 C-N-CA 122.595 2.196 . . . . 10.0 113.482 -179.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 367' ' ' ALA . . . . . . . . . . . . . . . -56.12 -47.13 78.7 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.995 0.368 . . . . 10.0 111.995 -179.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 1.5 mt -62.86 -42.53 99.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.559 -0.291 . . . . 10.0 111.478 -179.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -63.97 -45.79 87.53 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.991 -0.374 . . . . 10.0 109.991 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -60.66 -42.46 97.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.064 -0.516 . . . . 10.0 109.684 179.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 45.6 mt -62.61 -46.09 89.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.706 -0.679 . . . . 10.0 110.218 178.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -61.12 -46.83 88.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 10.0 110.65 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -61.88 -30.4 70.84 Favored 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 115.92 -0.582 . . . . 10.0 111.11 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -84.56 -31.7 23.88 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.756 -0.735 . . . . 10.0 111.661 179.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 28.3 mt -71.14 -33.7 70.32 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 111.796 0.295 . . . . 10.0 111.796 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 48.8 mt -51.83 -58.32 11.58 Favored Pre-proline 0 CA--C 1.534 0.344 0 N-CA-C 112.55 0.574 . . . . 10.0 112.55 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_endo -64.26 -31.8 62.94 Favored 'Trans proline' 0 C--N 1.354 0.843 0 C-N-CA 121.888 1.725 . . . . 10.0 111.317 178.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 47.1 t -64.57 -43.89 96.79 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.097 0 N-CA-C 109.409 -0.589 . . . . 10.0 109.409 178.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 96.6 mt -68.61 -30.65 69.43 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.452 -0.573 . . . . 10.0 109.452 178.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -64.77 -50.59 66.22 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.21 -0.663 . . . . 10.0 109.21 179.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 1.4 p -65.18 -30.0 70.87 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 109.354 -0.61 . . . . 10.0 109.354 178.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.77 -44.13 91.04 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 115.687 -0.688 . . . . 10.0 109.324 178.262 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 83.0 mttt -62.76 -45.14 94.08 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.362 -0.607 . . . . 10.0 109.362 178.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 87.4 t -57.9 -49.19 81.95 Favored 'Isoleucine or valine' 0 C--O 1.232 0.152 0 CA-C-N 115.509 -0.769 . . . . 10.0 111.045 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 5.2 p -70.75 -38.0 73.47 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 111.964 0.357 . . . . 10.0 111.964 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -62.92 -49.6 74.16 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.828 0.347 . . . . 10.0 110.566 179.591 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 81.3 mt -60.29 -42.15 94.84 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.012 -0.54 . . . . 10.0 111.796 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 3.5 p -70.49 -36.48 73.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.719 0.295 . . . . 10.0 110.784 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -66.49 -38.07 86.47 Favored 'General case' 0 CA--C 1.522 -0.13 0 N-CA-C 109.905 -0.406 . . . . 10.0 109.905 178.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 86.6 mt -60.86 -38.73 86.55 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.766 -0.652 . . . . 10.0 109.823 178.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -68.67 -37.88 79.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.839 -0.619 . . . . 10.0 109.506 178.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -60.13 -46.13 90.69 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.329 179.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -61.7 -48.33 81.25 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.153 178.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 27.4 m -56.88 -45.4 82.58 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.959 -0.564 . . . . 10.0 112.074 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -63.28 -30.47 71.61 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.762 0.653 . . . . 10.0 112.762 -178.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -106.28 11.4 31.13 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 113.096 0.776 . . . . 10.0 113.096 -178.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 19.8 mt -127.75 -20.03 3.99 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.654 0.264 . . . . 10.0 111.414 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 . . . . . 0 C--N 1.326 -0.443 0 CA-C-N 116.438 -0.346 . . . . 10.0 110.875 -179.406 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 2.5 mm? . . . . . 0 CA--C 1.52 -0.187 0 CA-C-O 121.295 0.569 . . . . 10.0 110.434 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -85.34 6.37 26.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.765 -0.652 . . . . 10.0 111.154 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 43.2 mt -61.36 -37.63 84.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.715 -0.675 . . . . 10.0 110.988 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 96.7 mt -64.06 -43.37 95.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.788 -0.642 . . . . 10.0 111.068 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.94 -37.78 82.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.162 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -64.46 -48.01 76.89 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.123 -0.489 . . . . 10.0 110.559 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 11.8 m95 -63.02 -26.46 68.86 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.91 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -63.7 -48.48 76.94 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 109.434 -0.58 . . . . 10.0 109.434 178.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 7.1 m -60.82 -34.97 75.34 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.067 178.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 53.5 t -68.14 -39.88 82.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 N-CA-C 109.414 -0.587 . . . . 10.0 109.414 179.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 28.3 m -66.13 -40.84 90.97 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.729 -0.668 . . . . 10.0 109.727 179.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 14.6 m -61.07 -47.19 87.49 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.485 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.39 -33.46 75.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.339 -0.391 . . . . 10.0 110.963 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -65.24 -39.03 92.15 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 108.848 -0.797 . . . . 10.0 108.848 177.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 33.1 m -66.95 -44.12 81.41 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.411 -0.813 . . . . 10.0 108.885 178.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 53.0 mmtt -62.19 -31.34 71.85 Favored 'General case' 0 C--O 1.226 -0.148 0 CA-C-N 115.97 -0.559 . . . . 10.0 109.994 178.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 14.8 tp -64.78 -45.32 86.8 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.118 -0.697 . . . . 10.0 109.118 178.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 62.0 mtt85 -68.76 -34.44 75.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.737 -0.665 . . . . 10.0 110.727 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -65.57 -21.67 66.62 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 116.0 -0.546 . . . . 10.0 109.918 178.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -89.17 -51.18 5.72 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 108.708 -0.849 . . . . 10.0 108.708 177.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 67.1 mt -47.58 -50.53 23.76 Favored 'General case' 0 C--O 1.226 -0.143 0 CA-C-N 115.09 -0.959 . . . . 10.0 112.452 -179.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -47.5 -74.49 0.24 Allowed Glycine 0 CA--C 1.525 0.685 0 O-C-N 123.368 0.418 . . . . 10.0 113.669 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -60.38 -39.71 64.44 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.802 2.335 . . . . 10.0 112.767 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 37.6 t -60.75 -48.8 87.2 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.229 0 N-CA-C 112.126 0.417 . . . . 10.0 112.126 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 32.6 p -64.43 -33.75 76.59 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-O 120.775 0.321 . . . . 10.0 110.845 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -62.95 -51.17 67.91 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.623 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -73.67 -25.17 60.13 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.578 -0.449 . . . . 10.0 110.084 178.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -67.27 -34.89 78.38 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.345 -0.983 . . . . 10.0 108.345 177.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 7.5 m95 -61.83 -48.27 81.34 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.71 -0.848 . . . . 10.0 108.71 178.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -62.41 -35.85 80.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.547 -0.751 . . . . 10.0 110.129 178.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -63.79 -45.52 89.31 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.733 -0.667 . . . . 10.0 109.22 178.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 88.7 mt -63.31 -41.09 98.9 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.664 -0.698 . . . . 10.0 109.61 178.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -63.77 -39.56 94.55 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.2 178.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -62.11 -40.61 96.48 Favored 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 109.181 -0.674 . . . . 10.0 109.181 178.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -66.73 -50.01 64.17 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.332 -0.849 . . . . 10.0 110.705 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 2.9 p -61.53 -47.99 83.04 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.967 -0.293 . . . . 10.0 111.32 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -64.73 -45.33 86.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.682 0.277 . . . . 10.0 111.223 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -63.46 -46.22 93.05 Favored Glycine 0 N--CA 1.448 -0.553 0 N-CA-C 111.385 -0.686 . . . . 10.0 111.385 179.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 85.6 mt -66.3 -29.81 70.09 Favored 'General case' 0 C--O 1.218 -0.557 0 N-CA-C 110.618 -0.141 . . . . 10.0 110.618 179.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 31.5 mtt180 -64.75 -30.91 71.93 Favored 'General case' 0 CA--C 1.522 -0.129 0 O-C-N 123.012 0.195 . . . . 10.0 110.621 179.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -62.92 -46.74 86.39 Favored 'General case' 0 N--CA 1.457 -0.114 0 CA-C-N 116.143 -0.48 . . . . 10.0 110.246 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -82.72 -26.21 32.18 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.903 178.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.13 -48.03 80.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.421 -0.354 . . . . 10.0 111.019 -179.626 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 2.9 p -61.84 -44.22 97.27 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 109.54 -0.541 . . . . 10.0 109.54 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -62.56 -42.01 99.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.584 -0.735 . . . . 10.0 110.02 178.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -63.55 -49.17 74.5 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.196 -0.456 . . . . 10.0 110.95 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 54.3 mt -65.53 -51.64 58.43 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.26 0.467 . . . . 10.0 112.26 -179.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -63.42 -44.51 94.39 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 111.945 0.35 . . . . 10.0 111.945 -179.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 447' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -71.57 -28.9 64.15 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.93 -0.308 . . . . 10.0 110.975 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.23 -30.14 45.05 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 CA-C-O 121.074 0.464 . . . . 10.0 110.215 179.418 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -65.83 -35.47 80.78 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.236 -1.024 . . . . 10.0 108.236 177.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -92.02 19.23 6.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.074 -0.966 . . . . 10.0 110.006 179.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 51.8 mttm -126.79 -51.41 1.46 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.612 -0.722 . . . . 10.0 110.12 179.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 62.9 t -69.37 -48.47 67.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 10.0 111.037 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -51.29 -58.88 9.08 Favored Pre-proline 0 CA--C 1.537 0.444 0 N-CA-C 111.914 0.338 . . . . 10.0 111.914 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -63.4 -26.8 70.84 Favored 'Trans proline' 0 C--N 1.357 1.007 0 C-N-CA 121.935 1.757 . . . . 10.0 112.027 179.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -75.94 -31.37 59.06 Favored 'General case' 0 CA--C 1.519 -0.236 0 N-CA-C 109.773 -0.454 . . . . 10.0 109.773 179.093 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 84.6 mt -63.57 -38.19 90.2 Favored 'General case' 0 CA--C 1.514 -0.412 0 N-CA-C 108.27 -1.011 . . . . 10.0 108.27 177.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -69.3 -43.49 73.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.182 -0.917 . . . . 10.0 109.133 178.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -60.44 -41.68 94.55 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 115.641 -0.709 . . . . 10.0 109.885 178.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -71.33 -40.73 70.57 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.444 -0.798 . . . . 10.0 110.053 178.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -58.06 -40.05 80.0 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.423 179.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 52.2 mttt -59.64 -50.18 74.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.037 -0.528 . . . . 10.0 109.896 178.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 26.3 mtmm -67.24 -36.01 80.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.82 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 8.5 m0 -65.0 -40.55 95.12 Favored 'General case' 0 CA--C 1.515 -0.394 0 N-CA-C 109.349 -0.612 . . . . 10.0 109.349 178.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -68.98 -40.32 78.87 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.72 -0.673 . . . . 10.0 109.25 178.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 465' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -57.44 -52.01 67.1 Favored 'General case' 0 C--O 1.222 -0.382 0 N-CA-C 108.577 -0.898 . . . . 10.0 108.577 177.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -60.95 -45.36 95.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.703 -0.68 . . . . 10.0 110.747 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 40.3 ttm -58.29 -49.7 76.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.429 -0.35 . . . . 10.0 110.526 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -66.25 -37.95 86.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.475 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 469' ' ' LEU . . . . . . . . . . . . . 54.7 mt -62.9 -43.89 97.58 Favored 'General case' 0 C--O 1.222 -0.343 0 O-C-N 123.574 0.546 . . . . 10.0 110.282 178.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 19.2 m-30 -61.33 -32.06 71.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.073 0.463 . . . . 10.0 110.441 179.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 -72.82 -23.78 60.82 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.434 179.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -104.67 -0.23 27.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.128 0.49 . . . . 10.0 111.397 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 473' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -125.62 -73.53 0.63 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.906 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 58.1 t -53.69 -45.31 60.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 N-CA-C 112.367 0.506 . . . . 10.0 112.367 -178.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -58.54 -61.09 8.33 Favored Pre-proline 0 CA--C 1.535 0.397 0 N-CA-C 112.575 0.583 . . . . 10.0 112.575 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -61.69 -33.96 84.83 Favored 'Trans proline' 0 C--N 1.353 0.806 0 C-N-CA 121.708 1.605 . . . . 10.0 111.154 178.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 20.2 mt -63.46 -36.85 85.11 Favored 'General case' 0 C--O 1.221 -0.403 0 N-CA-C 109.411 -0.588 . . . . 10.0 109.411 178.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 29.9 mtt180 -63.85 -28.72 70.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.438 -0.346 . . . . 10.0 110.377 178.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -74.06 -46.2 44.65 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 108.627 -0.879 . . . . 10.0 108.627 178.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.42 -40.96 96.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.85 -0.614 . . . . 10.0 109.426 178.302 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 53.9 mt -66.74 -29.61 69.62 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 115.693 -0.685 . . . . 10.0 110.115 178.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -70.72 -43.27 69.27 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 108.675 -0.861 . . . . 10.0 108.675 178.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -64.91 -43.66 92.09 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.566 -0.743 . . . . 10.0 109.122 178.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -63.83 -38.84 96.73 Favored Glycine 0 N--CA 1.446 -0.657 0 N-CA-C 110.819 -0.912 . . . . 10.0 110.819 178.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -65.57 -44.89 85.33 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 109.438 -0.578 . . . . 10.0 109.438 178.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 80.1 mtt180 -57.75 -44.93 86.45 Favored 'General case' 0 CA--C 1.52 -0.205 0 N-CA-C 108.924 -0.769 . . . . 10.0 108.924 178.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -62.98 -47.29 83.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.207 -0.906 . . . . 10.0 111.196 179.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 29.1 tttt -62.49 -40.0 95.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.006 0.431 . . . . 10.0 110.023 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 84.5 mt -64.23 -37.11 86.3 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 109.325 -0.62 . . . . 10.0 109.325 178.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -63.96 -45.66 88.16 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 108.55 -0.907 . . . . 10.0 108.55 178.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -58.98 -41.66 88.13 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 115.779 -0.646 . . . . 10.0 109.289 178.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 41.8 mt -67.59 -44.38 78.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.369 -0.832 . . . . 10.0 110.777 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -61.08 -33.84 73.97 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 121.232 0.539 . . . . 10.0 110.273 179.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -73.55 0.05 13.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.505 -0.771 . . . . 10.0 111.387 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 495' ' ' LYS . . . . . . . . . . . . . 30.7 mttp -121.92 -38.64 2.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.874 -0.603 . . . . 10.0 109.392 178.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 79.8 mt -60.82 -32.95 72.3 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.975 -0.557 . . . . 10.0 111.78 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 497' ' ' SER . . . . . . . . . . . . . 6.0 m -76.69 -65.37 0.41 Allowed Pre-proline 0 CA--C 1.54 0.579 0 N-CA-C 112.036 0.384 . . . . 10.0 112.036 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 498' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -65.41 -55.2 0.48 Allowed 'Trans proline' 0 C--N 1.354 0.828 0 C-N-CA 121.928 1.752 . . . . 10.0 113.068 -179.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 499' ' ' LEU . . . . . . . . . . . . . 45.2 mt -66.11 -28.4 68.78 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 110.44 -0.208 . . . . 10.0 110.44 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -66.46 -47.54 69.32 Favored Glycine 0 N--CA 1.447 -0.58 0 N-CA-C 109.682 -1.367 . . . . 10.0 109.682 178.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -63.29 -39.28 94.15 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 108.842 -0.799 . . . . 10.0 108.842 177.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 502' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -59.79 -48.47 81.55 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 115.63 -0.713 . . . . 10.0 109.353 178.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 81.4 mmm -58.95 -38.06 78.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.028 0.442 . . . . 10.0 110.573 179.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 61.8 mtt180 -67.51 -44.68 77.84 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 109.47 -0.567 . . . . 10.0 109.47 178.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -65.86 -40.28 91.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.763 179.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 506' ' ' ARG . . . . . . . . . . . . . 46.0 mtt180 -62.8 -45.43 92.65 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 108.39 -0.967 . . . . 10.0 108.39 178.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -60.27 -38.77 84.58 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.821 -0.627 . . . . 10.0 109.506 178.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 508' ' ' ARG . . . . . . . . . . . . . 49.3 mtt180 -61.64 -48.69 79.72 Favored 'General case' 0 C--O 1.218 -0.577 0 N-CA-C 109.21 -0.663 . . . . 10.0 109.21 178.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -62.48 -37.44 85.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.3 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 -70.41 -52.12 24.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.294 -0.412 . . . . 10.0 110.434 179.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 77.4 t -63.21 -42.54 96.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.439 -0.346 . . . . 10.0 111.14 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -61.05 -37.26 82.01 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.638 -0.504 . . . . 10.0 109.638 179.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -66.43 -45.64 79.18 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.631 -0.877 . . . . 10.0 108.631 178.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 514' ' ' LEU . . . . . . . . . . . . . 89.9 mt -57.99 -27.4 63.45 Favored 'General case' 0 C--O 1.23 0.06 0 CA-C-N 115.915 -0.584 . . . . 10.0 111.184 179.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 515' ' ' ARG . . . . . . . . . . . . . 75.0 mtt180 -63.79 -23.63 67.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.028 0.442 . . . . 10.0 110.067 178.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 1.5 m -118.92 -1.17 11.05 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.171 0.51 . . . . 10.0 110.332 179.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 36.7 m170 -106.58 -45.2 4.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.09 -0.504 . . . . 10.0 111.624 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 54.0 mt -94.89 -46.03 7.03 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.777 0.288 . . . . 10.0 111.777 -179.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 519' ' ' ALA . . . . . . . . . . . . . . . -54.31 -58.77 12.31 Favored Pre-proline 0 CA--C 1.537 0.462 0 N-CA-C 112.22 0.452 . . . . 10.0 112.22 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 520' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -63.31 -28.11 72.01 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 121.951 1.767 . . . . 10.0 110.633 178.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -64.33 -48.18 76.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.975 -0.557 . . . . 10.0 109.958 179.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.9 -31.22 72.36 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.598 -0.519 . . . . 10.0 109.598 178.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -68.13 -46.18 71.57 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.933 -0.576 . . . . 10.0 109.475 178.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -65.91 -32.74 74.41 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.738 -0.664 . . . . 10.0 109.258 178.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 33.8 mt -66.36 -35.97 81.68 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.313 178.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 526' ' ' ARG . . . . . . . . . . . . . 77.6 mtt180 -58.74 -35.09 72.15 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.396 -0.366 . . . . 10.0 110.496 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -66.5 -37.95 86.18 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.103 -0.498 . . . . 10.0 110.184 179.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 528' ' ' ARG . . . . . . . . . . . . . 28.8 mtt180 -74.95 -42.58 57.4 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.311 -0.626 . . . . 10.0 109.311 179.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 70.8 mt -63.04 -30.99 72.03 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 115.699 -0.682 . . . . 10.0 110.937 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -63.86 -36.68 84.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.145 0.498 . . . . 10.0 109.767 178.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -78.16 -36.87 47.05 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.418 -0.81 . . . . 10.0 109.022 179.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -62.82 -51.16 68.13 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.595 -0.73 . . . . 10.0 109.841 178.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 61.6 mt -66.11 -34.18 77.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.795 -0.639 . . . . 10.0 110.265 179.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -61.78 -46.94 87.38 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.504 -0.554 . . . . 10.0 109.504 178.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -66.12 -39.82 90.19 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.287 -0.87 . . . . 10.0 109.362 179.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 31.9 mt -63.97 -34.45 78.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.221 -0.445 . . . . 10.0 111.352 179.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 38.6 mtmt -79.45 -37.92 35.84 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.218 -0.446 . . . . 10.0 111.136 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.06 -53.53 9.79 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.607 0.241 . . . . 10.0 111.055 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -68.49 -32.33 72.23 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.122 -0.695 . . . . 10.0 109.122 179.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -69.54 -44.94 61.79 Favored Glycine 0 N--CA 1.443 -0.833 0 N-CA-C 110.427 -1.069 . . . . 10.0 110.427 178.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -61.75 -42.34 99.74 Favored Glycine 0 N--CA 1.448 -0.505 0 N-CA-C 110.554 -1.019 . . . . 10.0 110.554 178.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -62.19 -45.89 91.38 Favored 'General case' 0 N--CA 1.453 -0.275 0 N-CA-C 109.122 -0.696 . . . . 10.0 109.122 178.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 41.8 mtt180 -64.93 -34.6 78.81 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.287 179.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 31.3 mt -63.42 -38.58 91.71 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.266 -0.642 . . . . 10.0 109.266 178.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -69.58 -41.47 75.76 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 108.863 -0.792 . . . . 10.0 108.863 178.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -63.06 -49.1 75.87 Favored 'General case' 0 N--CA 1.461 0.076 0 CA-C-N 115.676 -0.693 . . . . 10.0 109.872 178.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -62.67 -38.47 90.45 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.208 179.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 20.2 t-80 -66.61 -45.34 79.45 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.698 0.285 . . . . 10.0 110.264 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -65.73 -43.86 87.73 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.33 -0.618 . . . . 10.0 109.33 178.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 2.5 ttmm -65.28 -24.35 67.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.765 -0.652 . . . . 10.0 111.351 179.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -67.07 -43.56 82.31 Favored 'General case' 0 CA--C 1.516 -0.355 0 N-CA-C 108.815 -0.809 . . . . 10.0 108.815 178.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.48 -33.66 67.14 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.737 -0.665 . . . . 10.0 109.467 178.642 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -61.03 -51.25 70.01 Favored 'General case' 0 CA--C 1.52 -0.192 0 N-CA-C 108.741 -0.837 . . . . 10.0 108.741 178.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -68.32 -27.86 66.66 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.126 -0.943 . . . . 10.0 110.206 179.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 54.8 tp -63.77 -42.91 97.7 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.432 -0.581 . . . . 10.0 109.432 178.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 7.8 m -66.21 -32.36 73.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.356 -0.838 . . . . 10.0 109.708 178.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 37.7 m -72.78 -39.62 66.6 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.764 -0.653 . . . . 10.0 109.274 178.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 50.9 mt -64.35 -48.57 75.02 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 115.626 -0.716 . . . . 10.0 110.52 179.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 5.3 p -64.52 -36.51 84.43 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.649 0.261 . . . . 10.0 110.538 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -60.89 -31.36 70.85 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.548 179.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.34 26.73 10.37 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.563 179.472 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -120.69 -51.8 2.14 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.829 -0.623 . . . . 10.0 109.655 178.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -56.6 -60.69 8.51 Favored Pre-proline 0 CA--C 1.534 0.348 0 CA-C-N 115.76 -0.654 . . . . 10.0 112.226 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -70.83 -26.45 22.54 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 121.483 1.456 . . . . 10.0 111.422 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -64.64 -53.22 51.0 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 116.361 -0.382 . . . . 10.0 110.198 179.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 95.6 mt -61.68 -39.33 91.05 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.876 0.37 . . . . 10.0 110.173 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -61.48 -56.29 21.75 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.947 179.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -63.88 -43.88 94.72 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.807 -0.633 . . . . 10.0 111.812 -179.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 19.5 mt -60.38 -44.17 95.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.403 -0.362 . . . . 10.0 111.102 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 56.5 mtt85 -68.31 -42.38 79.49 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.949 -0.301 . . . . 10.0 110.743 179.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -64.86 -19.13 65.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.35 -0.387 . . . . 10.0 110.708 179.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -95.54 -31.08 7.67 Favored Glycine 0 N--CA 1.447 -0.605 0 N-CA-C 110.721 -0.952 . . . . 10.0 110.721 178.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 13.8 mt -69.64 -37.12 76.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.362 -0.419 . . . . 10.0 111.06 179.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 43.6 mt -55.16 -62.72 3.86 Favored Pre-proline 0 CA--C 1.535 0.382 0 N-CA-C 111.979 0.363 . . . . 10.0 111.979 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -64.12 -34.62 56.9 Favored 'Trans proline' 0 C--N 1.354 0.839 0 C-N-CA 122.003 1.802 . . . . 10.0 112.244 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -66.02 -38.0 81.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 120.371 -0.532 . . . . 10.0 110.286 179.626 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 34.2 mt -69.92 -36.52 75.4 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 109.834 -0.432 . . . . 10.0 109.834 178.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -61.7 -42.83 99.47 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 108.715 -0.846 . . . . 10.0 108.715 177.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 10.8 m -67.6 -38.22 83.67 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.361 -0.836 . . . . 10.0 110.155 179.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 6.6 m-30 -65.14 -40.06 93.89 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-N 115.931 -0.577 . . . . 10.0 109.951 178.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -57.79 -47.49 82.4 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.334 -0.617 . . . . 10.0 109.334 178.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 88.8 t -60.1 -41.82 87.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.846 -0.616 . . . . 10.0 111.385 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -71.12 -40.98 71.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.794 0.33 . . . . 10.0 111.288 -179.472 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -70.56 -39.95 73.65 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.552 -0.295 . . . . 10.0 111.214 179.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 23.9 mt -59.6 -49.9 75.95 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.485 -0.325 . . . . 10.0 110.164 179.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 6.2 p -66.47 -37.42 85.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.516 179.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -59.64 -57.97 10.6 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.15 -0.477 . . . . 10.0 110.679 179.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 63.2 mt -61.19 -43.09 99.44 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.256 -0.429 . . . . 10.0 111.175 -179.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -59.32 -54.81 42.51 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.924 -0.58 . . . . 10.0 111.307 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -67.38 -30.13 69.83 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.274 0.472 . . . . 10.0 112.274 -179.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 1.4 m-30 -63.8 -45.74 88.31 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.05 0.453 . . . . 10.0 110.078 178.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 4.9 m -64.56 -20.06 66.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.653 -0.703 . . . . 10.0 111.341 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -82.25 -41.89 19.61 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.082 0.468 . . . . 10.0 110.26 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -74.57 -32.37 62.38 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.706 -0.679 . . . . 10.0 111.393 -179.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 87.3 mt -104.77 26.19 9.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.004 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 . . . . . 0 C--N 1.326 -0.415 0 CA-C-N 116.196 -0.457 . . . . 10.0 111.497 -179.592 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 15.2 m . . . . . 0 C--O 1.235 0.314 0 CA-C-O 121.054 0.454 . . . . 10.0 110.793 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.59 134.16 35.18 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.348 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -103.17 131.18 50.4 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.0 0.428 . . . . 10.0 110.824 179.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -119.52 116.29 25.78 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.117 -0.697 . . . . 10.0 109.117 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 47.5 mttm -81.95 115.18 21.0 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.701 0.286 . . . . 10.0 110.955 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 8.4 mt -114.91 126.16 54.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.198 -0.455 . . . . 10.0 111.235 -178.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 40.1 t -111.83 125.2 69.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.225 -0.443 . . . . 10.0 109.828 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 8.0 t -90.79 112.15 24.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.316 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 17.5 m -108.57 144.92 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.086 -0.506 . . . . 10.0 111.073 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 158.77 164.38 14.24 Favored Glycine 0 N--CA 1.443 -0.878 0 N-CA-C 110.472 -1.051 . . . . 10.0 110.472 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.78 161.88 28.11 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.06 0.457 . . . . 10.0 110.968 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -73.36 118.38 16.24 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.289 0.566 . . . . 10.0 111.318 -179.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 122.65 -10.45 9.08 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.706 -0.759 . . . . 10.0 112.793 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 25.9 m -76.03 -15.35 15.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.861 0.362 . . . . 10.0 111.724 -179.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 89.42 25.45 28.22 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.929 -0.653 . . . . 10.0 112.664 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 3.8 ptmm? -60.33 -34.86 74.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.584 0.23 . . . . 10.0 111.597 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' SER . . . . . 0.417 ' OG ' ' O3G' ' B' ' 201' ' ' GSP . 48.7 m -72.82 -45.91 55.93 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.697 -0.483 . . . . 10.0 109.697 179.066 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.96 -44.78 78.78 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.724 -0.671 . . . . 10.0 111.531 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 53.4 mt -59.88 -40.62 89.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.261 -0.427 . . . . 10.0 111.021 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 16.4 m -70.03 -45.24 67.6 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.108 -0.497 . . . . 10.0 110.659 179.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 95.5 mt -61.97 -34.75 64.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.761 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -64.97 -19.49 66.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.115 -0.493 . . . . 10.0 111.563 179.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 11.1 tp -97.34 -36.46 10.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.071 0.462 . . . . 10.0 110.975 179.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 43.0 mm -79.31 -50.02 18.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.017 -0.538 . . . . 10.0 112.192 -178.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -106.68 -5.24 18.71 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.169 0.433 . . . . 10.0 112.169 -178.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 56.12 44.15 25.71 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.992 -0.549 . . . . 10.0 112.473 179.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -149.29 157.87 43.7 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.467 -0.333 . . . . 10.0 110.273 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -101.95 141.42 34.83 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.182 -0.463 . . . . 10.0 111.194 -179.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 16.2 m -100.71 129.02 52.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.781 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -90.78 -31.3 16.57 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.404 0.621 . . . . 10.0 110.128 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -86.94 145.85 26.38 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.323 -0.853 . . . . 10.0 110.783 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -102.16 115.8 31.32 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.945 -0.571 . . . . 10.0 110.673 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -109.54 127.63 26.84 Favored Pre-proline 0 C--N 1.32 -0.715 0 CA-C-N 115.664 -0.698 . . . . 10.0 110.054 179.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -57.6 112.39 1.12 Allowed 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.706 2.271 . . . . 10.0 111.317 179.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' THR . . . . . 0.459 ' OG1' ' O3G' ' B' ' 201' ' ' GSP . 12.1 m -95.81 119.39 34.22 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.236 -0.438 . . . . 10.0 111.707 -179.026 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 50.4 mm -100.86 -47.89 11.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 108.567 -0.901 . . . . 10.0 108.567 178.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -159.27 101.37 1.56 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.673 -0.694 . . . . 10.0 110.376 179.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -107.89 117.95 35.47 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.25 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 4.4 p -106.84 118.76 37.54 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.897 0.38 . . . . 10.0 110.838 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -129.88 136.38 49.46 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.286 -0.415 . . . . 10.0 111.245 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -120.1 142.79 48.57 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.224 179.565 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 37.7 tttp -154.58 151.26 28.65 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.215 -0.661 . . . . 10.0 109.215 -179.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -129.68 121.82 27.73 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.842 0.353 . . . . 10.0 110.417 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 6.3 m -135.72 173.28 14.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.481 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 3.1 t -98.58 89.39 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.637 -0.505 . . . . 10.0 109.637 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 78.0 mt -89.46 114.06 26.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.908 -179.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 59.91 28.2 17.67 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.693 -0.685 . . . . 10.0 111.684 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.8 -6.58 79.64 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.374 -0.917 . . . . 10.0 112.696 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -106.42 113.61 27.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.655 0.264 . . . . 10.0 110.867 -179.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.47 110.92 8.14 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.859 -0.793 . . . . 10.0 108.859 178.312 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -130.19 158.71 38.98 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 112.209 0.448 . . . . 10.0 112.209 -178.122 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 36.4 tp -97.5 126.63 42.9 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.535 -0.757 . . . . 10.0 109.976 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 6.5 mp -92.32 109.75 21.14 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.745 -0.661 . . . . 10.0 110.616 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -93.55 80.52 4.32 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.279 -1.008 . . . . 10.0 108.279 178.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 8.7 mt -86.97 135.59 24.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 112.776 0.658 . . . . 10.0 112.776 -177.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 38.7 tp -131.92 105.67 7.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.589 -0.732 . . . . 10.0 110.245 179.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -93.12 103.69 15.96 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.288 -0.634 . . . . 10.0 109.288 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.33 154.86 18.42 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 112.581 0.586 . . . . 10.0 112.581 -178.709 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -54.52 139.77 36.78 Favored 'General case' 0 C--N 1.334 -0.101 0 N-CA-C 112.781 0.66 . . . . 10.0 112.781 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -119.73 30.82 5.59 Favored Glycine 0 N--CA 1.45 -0.411 0 N-CA-C 110.523 -1.031 . . . . 10.0 110.523 179.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -95.81 26.84 3.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.252 -0.474 . . . . 10.0 110.636 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 57.66 -161.11 0.23 Allowed 'General case' 0 C--O 1.238 0.481 0 CA-C-N 115.463 -0.79 . . . . 10.0 111.642 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 75.4 -44.48 0.53 Allowed 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.861 -0.609 . . . . 10.0 112.533 178.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -72.49 78.73 1.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.008 0.432 . . . . 10.0 111.034 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.94 -50.26 7.65 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.803 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.59 -28.73 33.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 10.0 111.121 -179.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 22.5 ttt -73.87 -33.67 64.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.469 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 7.5 ttp180 -62.31 -32.96 73.78 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.487 -0.324 . . . . 10.0 111.185 -179.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -60.77 -26.72 67.46 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.695 -0.684 . . . . 10.0 111.921 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -66.4 -60.97 2.26 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 112.347 0.499 . . . . 10.0 112.347 -178.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.72 -27.58 67.74 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.7 0.63 . . . . 10.0 112.7 -178.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 54.6 mtt -72.76 -12.85 61.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.459 0.647 . . . . 10.0 110.76 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -91.23 -45.46 8.62 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.67 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 2.5 m -80.72 -32.04 35.91 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.688 0.625 . . . . 10.0 112.688 -178.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.74 150.77 51.87 Favored Glycine 0 C--O 1.226 -0.384 0 C-N-CA 120.427 -0.892 . . . . 10.0 112.216 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -107.44 -45.84 3.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 117.084 0.442 . . . . 10.0 111.022 -179.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -109.98 137.86 14.5 Favored Glycine 0 N--CA 1.445 -0.73 0 N-CA-C 110.983 -0.847 . . . . 10.0 110.983 179.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -118.43 114.57 23.09 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.157 0.503 . . . . 10.0 111.8 -179.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 9.2 tp -91.93 108.99 20.32 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.503 -0.771 . . . . 10.0 109.569 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 6.8 m -87.06 101.05 13.09 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.625 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 43.8 t -103.35 128.42 56.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.941 0.4 . . . . 10.0 111.246 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 21.6 p90 -133.94 172.12 13.25 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.226 -0.443 . . . . 10.0 109.96 179.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -116.57 131.94 56.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.48 -0.327 . . . . 10.0 111.408 -179.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 15.6 pt -66.05 -23.04 31.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.962 -0.563 . . . . 10.0 111.592 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 19.6 p-10 -96.83 17.58 16.38 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.52 179.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -143.85 89.7 2.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.791 -0.641 . . . . 10.0 110.171 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -57.39 -30.96 65.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.816 -0.629 . . . . 10.0 111.565 -179.562 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -58.38 -47.38 84.04 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.708 -0.678 . . . . 10.0 111.304 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 96.0 p -62.74 -30.42 71.42 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.532 -0.304 . . . . 10.0 111.712 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -64.07 -39.98 95.25 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.573 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -77.55 -31.25 53.14 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.16 179.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -60.7 -33.75 73.34 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.853 -0.612 . . . . 10.0 111.105 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 51.2 mm -57.04 -37.55 55.64 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.912 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 61.3 t60 -65.57 -47.51 75.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.925 -0.58 . . . . 10.0 110.133 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 60.9 m-70 -61.79 -37.92 86.15 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.014 -0.539 . . . . 10.0 110.815 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -63.95 -46.52 84.33 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 115.967 -0.561 . . . . 10.0 110.268 179.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 37.8 ttt-85 -58.83 -41.78 87.71 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.941 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -60.14 -42.33 94.62 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.046 -0.525 . . . . 10.0 111.541 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -69.91 -45.21 68.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.399 -0.364 . . . . 10.0 111.09 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 84.4 mt -54.79 -44.37 71.14 Favored 'Isoleucine or valine' 0 C--O 1.238 0.487 0 CA-C-O 121.02 0.438 . . . . 10.0 110.834 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt -66.37 -26.67 67.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.728 -0.669 . . . . 10.0 111.163 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 23.8 ttm180 -78.99 -41.1 29.84 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.942 0.401 . . . . 10.0 110.742 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 45.2 t -62.3 -51.49 71.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.037 -179.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -85.57 -10.6 55.69 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.378 -0.374 . . . . 10.0 111.625 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 55.68 41.45 30.44 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.691 0.758 . . . . 10.0 110.361 -178.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 10.7 t -140.77 135.86 31.92 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.043 -0.981 . . . . 10.0 109.573 -179.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -85.47 -23.82 27.64 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.265 0.555 . . . . 10.0 110.384 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -99.17 89.48 4.25 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.185 -0.461 . . . . 10.0 111.035 -179.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 55.0 t -121.08 129.65 25.19 Favored Pre-proline 0 C--O 1.236 0.394 0 CA-C-N 115.692 -0.685 . . . . 10.0 109.643 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -62.45 106.88 0.52 Allowed 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.805 2.337 . . . . 10.0 111.587 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 64.7 mtm -135.64 151.79 50.58 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.917 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 92.4 t -132.52 133.8 59.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 109.686 -0.487 . . . . 10.0 109.686 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 16.8 tp -89.75 114.4 26.09 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.077 0.465 . . . . 10.0 109.802 179.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 63.2 t -113.06 122.5 67.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.961 -0.563 . . . . 10.0 111.355 -178.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -102.46 109.88 3.64 Favored Glycine 0 N--CA 1.447 -0.576 0 N-CA-C 110.811 -0.916 . . . . 10.0 110.811 178.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -92.71 165.49 12.93 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 117.076 0.438 . . . . 10.0 111.24 -179.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 83.7 mttt 62.01 31.45 17.97 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 112.63 0.604 . . . . 10.0 112.63 179.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 60.4 m -72.98 1.18 9.36 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.651 0.611 . . . . 10.0 112.651 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -101.09 1.76 39.67 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.825 0.345 . . . . 10.0 110.916 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 54.9 mt -85.89 145.2 40.63 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.377 -0.374 . . . . 10.0 111.112 179.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -79.46 150.7 22.25 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 122.996 2.464 . . . . 10.0 111.106 179.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 53.6 m 63.87 81.99 0.19 Allowed 'General case' 0 C--O 1.236 0.392 0 N-CA-C 112.63 0.604 . . . . 10.0 112.63 -179.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -100.27 139.8 35.42 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.866 -0.606 . . . . 10.0 110.44 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 2.7 m -88.13 -43.56 11.57 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.091 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 47.9 t -89.49 113.45 25.91 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 CA-C-N 115.839 -0.618 . . . . 10.0 109.639 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -80.53 149.32 30.03 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.534 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.52 -37.69 79.02 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.772 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -54.96 -45.13 74.89 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 113.147 0.795 . . . . 10.0 113.147 -179.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -75.61 -35.59 60.49 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.921 -0.312 . . . . 10.0 111.792 -179.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -69.16 -42.43 75.93 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.208 0.528 . . . . 10.0 111.042 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -68.38 -40.52 81.35 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.917 -0.583 . . . . 10.0 111.737 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -63.23 -38.63 91.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.943 0.401 . . . . 10.0 110.617 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 21.7 tp -65.88 -44.89 84.02 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.118 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -58.39 -45.19 88.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.796 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 33.6 ttp85 -59.93 -43.39 94.98 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.011 -0.54 . . . . 10.0 110.721 179.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 19.2 m -63.08 -23.72 67.57 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.032 -0.531 . . . . 10.0 111.873 -179.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 19.5 m-30 -99.36 -5.55 29.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.911 0.386 . . . . 10.0 111.659 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 76.44 28.04 60.42 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.939 -0.648 . . . . 10.0 113.041 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 45.4 pt -119.45 153.31 53.79 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 116.598 0.199 . . . . 10.0 110.737 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -86.32 153.84 9.35 Favored 'Trans proline' 0 N--CA 1.46 -0.455 0 C-N-CA 122.536 2.157 . . . . 10.0 111.602 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -124.44 132.65 53.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.469 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 2.6 mp -133.89 127.12 51.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.155 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -79.88 135.23 36.39 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 108.977 -0.749 . . . . 10.0 108.977 178.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 47.6 p -136.81 -178.77 5.33 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.518 0.675 . . . . 10.0 111.62 -178.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 10.5 t -167.26 119.39 0.92 Allowed 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 107.878 -1.156 . . . . 10.0 107.878 178.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 146' ' ' ALA . . . . . 0.418 ' N ' ' O6 ' ' B' ' 201' ' ' GSP . . . -76.79 -27.9 55.43 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.977 -0.749 . . . . 10.0 108.977 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -63.77 -46.19 86.39 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.78 -1.1 . . . . 10.0 111.635 179.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 40.6 p -101.87 -0.95 33.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.922 0.391 . . . . 10.0 111.077 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 30.1 ttt-85 59.77 46.51 11.41 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.688 -0.687 . . . . 10.0 111.231 -179.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -96.42 125.58 41.02 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.619 -0.718 . . . . 10.0 110.739 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 65.2 12.36 55.05 Favored Glycine 0 C--N 1.335 0.484 0 C-N-CA 121.46 -0.4 . . . . 10.0 113.896 178.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 31.2 t -59.57 -44.83 94.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.697 0.248 . . . . 10.0 111.505 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -75.86 -41.92 50.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.239 -0.437 . . . . 10.0 110.444 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -56.96 -37.72 71.97 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.614 0.598 . . . . 10.0 112.614 -178.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -56.58 -51.56 68.15 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.024 0.44 . . . . 10.0 111.079 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -70.09 -39.47 75.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.995 -0.548 . . . . 10.0 111.02 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -57.41 -48.37 79.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.677 179.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 30.9 m -62.5 -43.56 98.52 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.954 -0.567 . . . . 10.0 111.196 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 30.0 tp -58.55 -50.73 72.73 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.642 0.258 . . . . 10.0 111.264 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 74.3 t -61.25 -41.94 91.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.313 0.578 . . . . 10.0 110.263 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 22.1 ttp180 -62.86 -38.89 92.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.573 -0.739 . . . . 10.0 111.037 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -65.61 -39.99 92.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.643 -0.253 . . . . 10.0 110.556 179.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 67.3 mt -63.28 -44.39 99.13 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 N-CA-C 109.304 -0.628 . . . . 10.0 109.304 178.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -63.04 -42.73 99.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.712 -0.676 . . . . 10.0 109.332 179.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 30.9 ttmt -59.66 -41.9 91.63 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.546 -0.752 . . . . 10.0 109.507 178.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -57.79 -45.27 86.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.569 -0.741 . . . . 10.0 110.518 179.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -61.22 -40.68 94.92 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.922 0.391 . . . . 10.0 110.996 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -70.12 -46.19 65.32 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.605 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 46.7 mtpt -66.22 -35.17 79.73 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.772 -0.649 . . . . 10.0 111.857 -179.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 54.9 mmm -64.62 -22.49 66.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.426 -0.352 . . . . 10.0 111.327 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 19.3 m -78.75 -9.53 59.46 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.158 179.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -114.49 -29.0 6.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.085 -0.507 . . . . 10.0 111.033 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 173' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 69.58 -75.52 0.07 Allowed 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.407 0.622 . . . . 10.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . -179.94 -43.84 0.08 OUTLIER Glycine 0 N--CA 1.442 -0.9 0 N-CA-C 110.483 -1.047 . . . . 10.0 110.483 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 175' ' ' LYS . . . . . . . . . . . . . 13.7 mmtm -146.67 -177.27 5.55 Favored 'General case' 0 C--O 1.24 0.574 0 N-CA-C 109.906 -0.405 . . . . 10.0 109.906 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 176' ' ' LYS . . . . . . . . . . . . . 64.1 mmtt 58.88 40.91 22.13 Favored 'General case' 0 C--O 1.235 0.295 0 O-C-N 123.879 0.737 . . . . 10.0 112.742 178.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 177' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -110.87 -176.49 2.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.811 -0.177 . . . . 10.0 111.416 179.732 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 27.8 mttt 61.09 39.32 16.32 Favored 'General case' 0 N--CA 1.465 0.28 0 O-C-N 123.774 0.671 . . . . 10.0 110.309 -179.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 179' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -91.12 90.22 7.72 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.471 -0.786 . . . . 10.0 111.173 -179.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 2.5 tmtp? -158.2 111.23 2.39 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.001 179.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 16.3 m -140.54 154.29 46.47 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.156 -0.474 . . . . 10.0 110.67 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 70.9 tttt -79.35 80.56 5.7 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.266 0.555 . . . . 10.0 110.994 -179.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 5.7 t -139.95 -177.67 5.09 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.721 -0.672 . . . . 10.0 109.822 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 184' ' ' LYS . . . . . . . . . . . . . 51.1 tttm . . . . . 0 C--O 1.233 0.209 0 O-C-N 123.105 0.253 . . . . 10.0 110.537 -179.661 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 7.4 m . . . . . 0 N--CA 1.455 -0.211 0 CA-C-O 120.526 0.203 . . . . 10.0 111.044 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.81 120.47 27.26 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.482 -0.327 . . . . 10.0 110.219 179.521 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -87.77 131.2 34.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.698 0.285 . . . . 10.0 110.619 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -129.45 119.36 23.65 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.301 -0.408 . . . . 10.0 110.39 179.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 48.5 mttm -87.83 113.8 23.83 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.034 0.445 . . . . 10.0 110.016 179.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 17.3 mt -113.31 126.2 55.13 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.852 -0.613 . . . . 10.0 111.211 -178.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 46.4 t -112.88 123.66 68.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.295 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 3.0 t -87.12 123.14 39.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.229 -0.656 . . . . 10.0 109.229 179.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 27.7 m -119.13 156.73 21.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.975 0.417 . . . . 10.0 111.795 -179.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 146.11 171.32 15.45 Favored Glycine 0 N--CA 1.444 -0.788 0 N-CA-C 110.998 -0.841 . . . . 10.0 110.998 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.37 164.34 23.15 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.721 0.296 . . . . 10.0 110.412 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.54 142.47 37.35 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.955 -0.298 . . . . 10.0 110.509 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 91.48 3.49 69.08 Favored Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 116.007 -0.542 . . . . 10.0 113.466 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 33.8 m -80.48 -30.91 12.55 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 N-CA-C 112.789 0.663 . . . . 10.0 112.789 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 118.84 18.64 4.67 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.299 -0.953 . . . . 10.0 113.255 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -59.11 -41.72 88.83 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.022 0.439 . . . . 10.0 111.024 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 17' ' ' SER . . . . . 0.499 ' OG ' ' O3G' ' C' ' 201' ' ' GSP . 49.9 m -77.41 -38.46 49.73 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.145 -0.479 . . . . 10.0 110.446 -179.685 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.16 -43.02 96.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.401 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 79.7 mt -64.74 -44.94 88.53 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.823 179.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 30.5 m -63.22 -46.67 85.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.969 -0.56 . . . . 10.0 111.554 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 98.2 mt -61.39 -34.07 59.56 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 CA-C-O 120.949 0.404 . . . . 10.0 110.485 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -68.72 -13.89 62.67 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.586 179.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 24.6 tp -104.53 -36.3 7.57 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 120.961 0.41 . . . . 10.0 110.62 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 45.8 mm -76.74 -65.48 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.433 -0.349 . . . . 10.0 111.438 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -93.95 -13.93 26.52 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.901 0.382 . . . . 10.0 111.06 -179.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 57.3 m-80 66.88 50.26 1.11 Allowed 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 113.545 0.943 . . . . 10.0 113.545 178.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 25.1 p80 -149.58 154.23 38.35 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.783 -0.19 . . . . 10.0 110.729 178.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -98.61 137.98 36.46 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.749 -0.205 . . . . 10.0 111.198 -179.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 2.0 m -103.13 123.3 56.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.457 . . . . 10.0 110.808 179.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -82.59 -22.13 34.95 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.27 0.557 . . . . 10.0 110.8 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -94.68 135.03 36.63 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.801 -0.636 . . . . 10.0 110.462 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -66.12 132.47 48.58 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.706 -0.225 . . . . 10.0 110.67 -179.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -111.49 108.37 56.54 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 116.459 -0.337 . . . . 10.0 111.217 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -81.14 70.42 7.49 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 123.2 2.6 . . . . 10.0 111.167 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 35' ' ' THR . . . . . 0.448 ' OG1' ' O3G' ' C' ' 201' ' ' GSP . 0.2 OUTLIER -67.28 156.45 36.35 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.132 -0.485 . . . . 10.0 111.498 -179.659 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 37.1 mm -102.23 -68.1 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 108.982 -0.747 . . . . 10.0 108.982 178.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -159.27 81.19 0.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.334 -0.848 . . . . 10.0 109.447 179.522 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -102.47 141.74 34.79 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.676 0.274 . . . . 10.0 111.108 -179.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -113.58 142.35 46.07 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.086 -0.506 . . . . 10.0 110.692 -179.658 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -132.38 135.56 46.22 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.537 -0.301 . . . . 10.0 110.406 -179.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -116.57 128.71 55.66 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.196 0.443 . . . . 10.0 112.196 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 34.8 tttp -142.74 133.48 25.35 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.813 -0.631 . . . . 10.0 109.694 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -107.69 110.79 22.73 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.846 0.355 . . . . 10.0 110.754 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 3.8 m -122.82 -178.44 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.688 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -113.09 69.92 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.967 0.413 . . . . 10.0 111.522 -179.183 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 64.8 mt -73.92 124.47 31.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 CA-C-N 116.022 -0.535 . . . . 10.0 110.399 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 67.04 14.65 9.91 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.899 -179.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.05 -39.81 2.65 Favored Glycine 0 N--CA 1.45 -0.417 0 CA-C-N 116.091 -0.504 . . . . 10.0 112.544 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -75.79 137.69 40.7 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.823 0.344 . . . . 10.0 111.704 -179.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 1.3 m -75.33 121.51 22.33 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.568 -0.901 . . . . 10.0 108.568 179.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -130.07 143.93 51.06 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.06 0.457 . . . . 10.0 112.068 -178.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 50.8 tp -97.74 112.58 24.41 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.677 -0.86 . . . . 10.0 108.677 178.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 23.5 mt -94.42 124.5 38.48 Favored 'General case' 0 C--N 1.313 -1.017 0 N-CA-C 112.399 0.518 . . . . 10.0 112.399 -178.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -105.69 93.22 4.53 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.976 -1.12 . . . . 10.0 107.976 178.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -91.11 146.83 5.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.216 -0.447 . . . . 10.0 111.922 -178.452 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 60.7 tp -133.51 121.17 21.78 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 115.677 -0.692 . . . . 10.0 111.072 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 57' ' ' ASP . . . . . 0.452 ' OD2' ' O3G' ' C' ' 201' ' ' GSP . 34.3 t70 -93.3 109.13 20.67 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.551 -0.75 . . . . 10.0 109.377 179.239 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 72.7 p -97.9 156.45 16.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.344 -0.389 . . . . 10.0 111.485 -178.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -82.18 128.72 34.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.198 -0.455 . . . . 10.0 110.811 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -99.41 32.21 7.43 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.754 -0.736 . . . . 10.0 112.18 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -89.94 12.3 17.88 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.563 0.22 . . . . 10.0 111.417 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 62' ' ' GLU . . . . . 0.405 ' CG ' ' H ' ' C' ' 63' ' ' GLU . 3.3 tp10 63.76 -160.54 0.3 Allowed 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.982 -0.554 . . . . 10.0 111.495 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 63' ' ' GLU . . . . . 0.405 ' H ' ' CG ' ' C' ' 62' ' ' GLU . 2.8 tt0 73.76 -49.32 0.68 Allowed 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 123.639 0.776 . . . . 10.0 113.046 178.712 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -73.97 76.85 1.68 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.362 0.504 . . . . 10.0 112.362 -178.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.03 -41.67 15.57 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.888 -0.597 . . . . 10.0 110.282 179.265 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.52 -38.24 41.09 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.057 -0.519 . . . . 10.0 110.682 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 92.0 mtp -70.21 -16.13 63.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.094 0.473 . . . . 10.0 110.727 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 68' ' ' ARG . . . . . . . . . . . . . 2.2 ttp180 -76.88 -35.22 57.58 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.65 -0.704 . . . . 10.0 110.478 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.39 -39.68 80.29 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.666 -0.697 . . . . 10.0 111.705 -178.728 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -54.85 -60.31 3.54 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 113.294 0.85 . . . . 10.0 113.294 -178.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 71' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -75.22 -21.48 58.61 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.263 0.838 . . . . 10.0 113.263 -178.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 31.7 mtt -66.89 -38.84 87.03 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.12 0.486 . . . . 10.0 111.223 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 23.5 ttm105 -76.31 -24.82 54.36 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 6.4 m -86.12 -22.12 27.26 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.606 -179.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -72.22 141.12 30.8 Favored Glycine 0 C--O 1.239 0.428 0 C-N-CA 120.757 -0.735 . . . . 10.0 114.048 -178.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -95.84 -35.38 11.52 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 109.415 -0.587 . . . . 10.0 109.415 178.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -139.5 142.77 13.09 Favored Glycine 0 N--CA 1.445 -0.751 0 N-CA-C 110.498 -1.041 . . . . 10.0 110.498 179.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 78' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -120.23 125.25 47.68 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.258 0.551 . . . . 10.0 112.125 -179.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 12.0 tp -96.16 106.25 18.42 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.451 -0.795 . . . . 10.0 109.907 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 3.9 m -81.67 93.21 6.72 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.114 -0.493 . . . . 10.0 109.685 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 59.6 t -99.59 126.75 52.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.321 -0.399 . . . . 10.0 111.558 -178.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -134.4 168.04 19.64 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.301 -0.629 . . . . 10.0 109.301 178.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -104.37 127.27 52.01 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 110.038 -0.356 . . . . 10.0 110.038 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 84' ' ' ILE . . . . . . . . . . . . . 17.5 pt -64.13 -19.57 25.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.474 -0.33 . . . . 10.0 111.681 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 -97.38 6.01 48.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.414 -0.357 . . . . 10.0 110.94 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -133.77 98.9 4.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.066 0.46 . . . . 10.0 110.792 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.25 -37.17 74.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.679 -0.692 . . . . 10.0 112.219 -179.28 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -56.22 -48.59 76.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.888 0.375 . . . . 10.0 111.372 -179.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 84.4 p -61.48 -31.48 71.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.283 -0.417 . . . . 10.0 111.832 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -68.02 -45.34 74.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.704 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -70.32 -33.39 71.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.964 -0.562 . . . . 10.0 111.274 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.06 -25.48 65.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.717 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 50.2 mm -61.77 -32.17 53.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.986 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -65.99 -41.47 91.06 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.548 -0.538 . . . . 10.0 109.548 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -61.42 -41.1 96.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.6 -0.727 . . . . 10.0 110.021 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -67.25 -43.13 82.66 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.75 -0.659 . . . . 10.0 110.943 179.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -54.91 -48.54 72.93 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-O 120.744 0.307 . . . . 10.0 111.812 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -68.07 -39.56 82.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.415 -0.357 . . . . 10.0 111.637 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -62.57 -51.49 67.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.451 . . . . 10.0 111.154 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 76.2 mt -56.34 -44.02 78.69 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 CA-C-O 120.978 0.418 . . . . 10.0 110.985 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -62.09 -32.9 73.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.803 -0.635 . . . . 10.0 111.57 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 7.3 tmm_? -78.52 -37.37 43.22 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.609 -0.269 . . . . 10.0 110.979 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 98.3 t -62.22 -52.97 53.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.29 -0.414 . . . . 10.0 111.498 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -86.15 -5.5 59.19 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.555 -0.293 . . . . 10.0 111.579 -179.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 36.6 t70 51.64 63.37 2.27 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.536 -0.756 . . . . 10.0 111.803 -178.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 63.4 m -156.89 142.14 17.31 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.524 -0.762 . . . . 10.0 109.715 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -84.93 -20.17 31.08 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.09 0.471 . . . . 10.0 110.547 179.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -112.35 96.53 6.06 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.821 -179.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -122.71 130.63 24.56 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 115.742 -0.663 . . . . 10.0 109.345 179.664 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -56.53 105.13 0.16 Allowed 'Trans proline' 0 C--O 1.235 0.362 0 C-N-CA 122.988 2.459 . . . . 10.0 112.364 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 111' ' ' MET . . . . . . . . . . . . . 65.7 mtt -130.97 149.49 52.57 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.967 -0.56 . . . . 10.0 110.42 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 77.0 t -135.79 125.3 40.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 108.93 -0.767 . . . . 10.0 108.93 178.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 16.1 tp -84.37 119.24 24.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.898 0.38 . . . . 10.0 110.201 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 65.2 t -120.3 121.74 66.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.107 0.479 . . . . 10.0 111.358 -178.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -100.65 102.26 2.42 Favored Glycine 0 N--CA 1.448 -0.536 0 N-CA-C 110.775 -0.93 . . . . 10.0 110.775 178.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -87.65 168.92 12.59 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.81 0.338 . . . . 10.0 111.672 -178.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 82.2 mttt 67.72 31.66 5.82 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 115.41 -0.814 . . . . 10.0 111.623 179.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 118' ' ' CYS . . . . . . . . . . . . . 58.5 m -71.33 -1.26 12.28 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 112.375 0.509 . . . . 10.0 112.375 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -89.22 -25.42 21.76 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.5 -0.555 . . . . 10.0 109.5 178.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 61.1 mt -70.85 126.69 92.18 Favored Pre-proline 0 N--CA 1.449 -0.486 0 CA-C-N 115.848 -0.615 . . . . 10.0 110.577 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -75.26 158.65 41.08 Favored 'Trans proline' 0 CA--C 1.529 0.235 0 C-N-CA 122.942 2.428 . . . . 10.0 111.992 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 12.8 m 64.26 66.09 0.64 Allowed 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.756 0.789 . . . . 10.0 111.934 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -79.29 151.27 31.19 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.254 -0.885 . . . . 10.0 111.034 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.74 -37.9 12.1 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.47 -0.332 . . . . 10.0 110.509 178.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 58.0 t -98.24 121.04 48.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 109.788 -0.449 . . . . 10.0 109.788 179.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -77.44 152.18 34.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.575 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 5.9 m -60.55 -43.51 97.13 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.165 -0.471 . . . . 10.0 110.975 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -63.78 -46.0 87.2 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.708 0.633 . . . . 10.0 112.708 -178.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -65.76 -31.71 72.84 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 120.772 -0.371 . . . . 10.0 111.058 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -75.35 -42.3 54.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.305 0.574 . . . . 10.0 109.982 179.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -66.05 -36.07 82.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.78 -0.645 . . . . 10.0 110.647 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -60.06 -40.2 88.65 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.389 0.614 . . . . 10.0 109.984 178.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 20.1 tp -66.69 -37.83 85.53 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.655 -0.702 . . . . 10.0 110.335 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.25 -34.13 77.31 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.802 -0.636 . . . . 10.0 109.801 178.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 3.8 tmm_? -60.79 -44.18 97.14 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.517 -0.765 . . . . 10.0 110.441 179.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 12.1 m -64.74 -31.77 73.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.07 -0.514 . . . . 10.0 111.726 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 13.7 m-30 -83.8 -24.64 30.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.133 0.492 . . . . 10.0 110.509 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 85.45 21.91 52.71 Favored Glycine 0 N--CA 1.444 -0.77 0 N-CA-C 111.224 -0.75 . . . . 10.0 111.224 -178.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 45.3 pt -113.98 158.69 38.63 Favored Pre-proline 0 C--N 1.327 -0.4 0 N-CA-C 110.214 -0.291 . . . . 10.0 110.214 -179.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -84.86 152.45 11.32 Favored 'Trans proline' 0 N--CA 1.462 -0.367 0 C-N-CA 122.971 2.447 . . . . 10.0 112.22 -179.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -122.65 134.17 54.5 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.389 -0.597 . . . . 10.0 109.389 179.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 65.9 mt -133.93 131.88 56.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.743 0.306 . . . . 10.0 110.596 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -86.77 128.68 35.03 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.758 -0.83 . . . . 10.0 108.758 178.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 61.1 p -131.25 174.09 10.4 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.744 0.783 . . . . 10.0 112.255 -178.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 11.2 t -162.64 114.76 1.61 Allowed 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 114.675 -1.148 . . . . 10.0 108.347 178.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 146' ' ' ALA . . . . . 0.436 ' N ' ' O6 ' ' C' ' 201' ' ' GSP . . . -66.56 -28.22 68.36 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.659 -179.32 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 67.9 tttt -59.31 -33.05 70.64 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.999 -0.546 . . . . 10.0 111.811 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -120.72 8.19 10.58 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 111.914 0.339 . . . . 10.0 111.914 -179.255 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 55.81 14.14 1.25 Allowed 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 113.576 0.954 . . . . 10.0 113.576 179.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -76.02 133.59 40.35 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.388 -0.369 . . . . 10.0 111.328 -179.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 81.01 -17.4 11.78 Favored Glycine 0 C--N 1.332 0.335 0 CA-C-N 115.987 -0.551 . . . . 10.0 113.635 179.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 96.2 t -53.91 -50.25 54.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.904 0.383 . . . . 10.0 111.813 -178.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -59.37 -58.5 8.34 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.101 -0.499 . . . . 10.0 111.526 -179.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -57.76 -36.5 72.2 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.715 0.635 . . . . 10.0 112.715 -178.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -56.13 -50.65 70.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.641 0.258 . . . . 10.0 111.368 179.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -73.17 -35.26 66.39 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.379 -0.373 . . . . 10.0 111.13 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 4.3 m-30 -63.14 -49.12 75.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.404 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 40.3 m -63.09 -37.52 87.54 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.387 179.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 45.0 tp -55.42 -47.88 75.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.528 179.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 79.3 t -70.14 -41.26 78.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.577 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 20.1 ttp-105 -59.86 -41.31 91.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.637 -0.71 . . . . 10.0 111.963 -179.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 162' ' ' GLU . . . . . 0.431 ' CD ' ' HZ1' ' C' ' 165' ' ' LYS . 33.6 mm-40 -62.19 -35.55 79.17 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.893 0.377 . . . . 10.0 111.249 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 54.8 mt -62.21 -43.56 98.06 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 N-CA-C 108.932 -0.766 . . . . 10.0 108.932 178.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -63.27 -40.89 98.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.236 -0.893 . . . . 10.0 109.875 179.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 165' ' ' LYS . . . . . 0.431 ' HZ1' ' CD ' ' C' ' 162' ' ' GLU . 29.5 ttmt -61.89 -45.42 93.82 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.737 -0.665 . . . . 10.0 110.771 179.395 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 29.1 t-80 -61.05 -50.98 71.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.906 -0.588 . . . . 10.0 111.18 -179.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -62.06 -29.86 70.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.126 -0.488 . . . . 10.0 111.708 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -75.1 -43.6 51.95 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.878 -0.601 . . . . 10.0 109.915 179.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 7.8 tmtm? -67.11 -30.74 70.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.685 -0.689 . . . . 10.0 110.62 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 70.1 mmm -69.97 -21.75 63.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.864 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 9.9 m -73.31 -20.11 60.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.36 0.6 . . . . 10.0 110.593 179.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt -103.97 -48.63 3.84 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.633 -0.712 . . . . 10.0 109.396 179.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 173' ' ' ASP . . . . . . . . . . . . . 32.0 t70 69.39 -51.2 0.61 Allowed 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 115.382 -0.827 . . . . 10.0 112.786 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . 163.84 -9.94 0.08 OUTLIER Glycine 0 N--CA 1.449 -0.481 0 N-CA-C 111.673 -0.571 . . . . 10.0 111.673 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 175' ' ' LYS . . . . . 0.563 ' HZ1' ' C3 ' ' B' ' 210' ' ' 17F . 2.4 mptt -122.48 -175.32 3.11 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 109.887 -0.412 . . . . 10.0 109.887 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 176' ' ' LYS . . . . . . . . . . . . . 97.1 mttt 72.61 -51.85 0.7 Allowed 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 113.285 0.846 . . . . 10.0 113.285 178.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 177' ' ' LYS . . . . . . . . . . . . . 28.7 mttm -102.6 -151.74 0.43 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.475 0.179 . . . . 10.0 110.702 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 178' ' ' LYS . . . . . . . . . . . . . 23.9 ttmt 71.12 85.69 0.13 Allowed 'General case' 0 N--CA 1.463 0.213 0 O-C-N 123.94 0.775 . . . . 10.0 111.613 179.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 179' ' ' LYS . . . . . . . . . . . . . 19.2 mmtm -119.21 174.74 6.16 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.625 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 180' ' ' LYS . . . . . . . . . . . . . 9.2 mptt -83.96 163.13 20.17 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.515 -0.311 . . . . 10.0 110.766 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 5.2 t -98.46 -44.29 6.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.353 -0.385 . . . . 10.0 110.368 179.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 182' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -132.72 107.06 8.14 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.37 179.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.32 -162.65 0.97 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.987 -179.331 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 184' ' ' LYS . . . . . 0.552 ' H ' ' C7 ' ' C' ' 211' ' ' PCW . 37.1 mttp . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.487 -0.324 . . . . 10.0 110.205 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 401' ' ' PCW . . . . . 0.511 ' O31' ' O3 ' ' A' ' 401' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 402' ' ' PCW . . . . . 0.478 ' O11' ' O2 ' ' A' ' 402' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 403' ' ' PCW . . . . . 0.766 ' C31' ' C36' ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 404' ' ' PCW . . . . . 0.628 ' C42' ' C16' ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 405' ' ' PCW . . . . . 0.453 ' C36' ' C46' ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 406' ' ' PCW . . . . . 0.438 ' O3P' ' O31' ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 407' ' ' PCW . . . . . 0.695 ' C21' ' C17' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 408' ' ' PCW . . . . . 0.647 ' C3 ' ' O1P' ' A' ' 408' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 409' ' ' PCW . . . . . 0.782 ' C14' ' C19' ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 410' ' ' PCW . . . . . 0.534 ' C37' ' C32' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 411' ' ' PCW . . . . . 0.547 ' C31' ' O3 ' ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 412' ' ' PCW . . . . . 0.458 ' O31' ' O3 ' ' A' ' 412' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 413' ' ' PCW . . . . . 0.517 ' C3 ' ' C4 ' ' A' ' 408' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 414' ' ' PCW . . . . . 0.638 ' C47' ' C43' ' A' ' 414' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 415' ' ' 17F . . . . . 0.468 ' C4 ' ' O10' ' A' ' 415' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 416' ' ' 17F . . . . . 0.464 ' O8 ' ' O9 ' ' A' ' 416' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 417' ' ' PCW . . . . . 0.534 ' O31' ' O3P' ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 418' ' ' PCW . . . . . 0.631 ' C35' ' C13' ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 419' ' ' PCW . . . . . 0.552 ' O1P' ' C4 ' ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 420' ' ' PCW . . . . . 0.514 ' C37' ' C43' ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 421' ' ' PCW . . . . . 0.633 ' O2P' ' C4 ' ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 422' ' ' 17F . . . . . 0.573 ' C11' ' C38' ' C' ' 218' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 601' ' ' PCW . . . . . 0.633 ' C42' ' C46' ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 602' ' ' PCW . . . . . 0.577 ' C21' ' C17' ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 603' ' ' PCW . . . . . 0.483 ' C6 ' ' O2P' ' C' ' 216' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 604' ' ' PCW . . . . . 0.719 ' C11' ' C31' ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 605' ' ' PCW . . . . . 0.7 ' O31' ' P ' ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 606' ' ' PCW . . . . . 0.592 ' C17' ' C21' ' D' ' 606' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 607' ' ' PCW . . . . . 0.556 ' C3 ' ' C37' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 608' ' ' PCW . . . . . 0.496 ' C2 ' ' O11' ' D' ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 609' ' ' PCW . . . . . 0.488 ' C12' ' C7 ' ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 610' ' ' PCW . . . . . 0.66 ' O1P' ' N1 ' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 611' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 612' ' ' PCW . . . . . 0.576 ' O11' ' C6 ' ' D' ' 620' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 613' ' ' PCW . . . . . 0.683 ' C21' ' C17' ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 614' ' ' PCW . . . . . 0.593 ' C5 ' ' O31' ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 615' ' ' PCW . . . . . 0.64 ' C46' ' C42' ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 616' ' ' PCW . . . . . 0.501 ' C5 ' ' O5 ' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 617' ' ' PCW . . . . . 0.597 ' C37' ' C14' ' D' ' 619' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 618' ' ' PCW . . . . . 0.633 ' C4 ' ' O2P' ' A' ' 421' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 619' ' ' PCW . . . . . 0.597 ' C14' ' C37' ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 620' ' ' PCW . . . . . 0.576 ' C6 ' ' O11' ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 621' ' ' PCW . . . . . 0.563 ' O4P' ' C7 ' ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 622' ' ' PCW . . . . . 0.55 ' O3P' ' O31' ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 623' ' ' PCW . . . . . 0.708 ' C32' ' C36' ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 624' ' ' PCW . . . . . 0.663 ' C24' ' C20' ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 625' ' ' PCW . . . . . 0.627 ' O1P' ' C5 ' ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 626' ' ' PCW . . . . . 0.633 ' C23' ' C27' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 627' ' ' PCW . . . . . 0.622 ' C20' ' C35' ' C' ' 217' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 628' ' ' 17F . . . . . 0.596 ' C31' ' C19' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 629' ' ' 17F . . . . . 0.594 ' O7 ' ' C17' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 630' ' ' 17F . . . . . 0.566 ' O8 ' ' C5 ' ' D' ' 630' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 631' ' ' 17F . . . . . 0.66 ' N1 ' ' O1P' ' D' ' 610' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 632' ' ' 17F . . . . . 0.515 ' C18' ' C14' ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 201' ' ' GSP . . . . . 0.617 ' O3G' 'MG ' ' B' ' 202' ' ' ' MG' . . . . . . . . 0 O4'--C1' 1.438 1.976 2 O4'-C1'-N19 113.15 4.95 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 202' ' ' ' MG' . . . . . 0.617 'MG ' ' O3G' ' B' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 203' ' ' PCW . . . . . 0.521 ' C11' ' O31' ' B' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 204' ' ' PCW . . . . . 0.63 ' C11' ' O31' ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 205' ' ' PCW . . . . . 0.643 ' C3 ' ' O1P' ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 206' ' ' PCW . . . . . 0.516 ' C6 ' ' O4P' ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 207' ' ' PCW . . . . . 0.552 ' O1P' ' C3 ' ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 208' ' ' PCW . . . . . 0.631 ' C43' ' C47' ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 209' ' ' 17F . . . . . 0.646 ' C31' ' C19' ' B' ' 209' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 210' ' ' 17F . . . . . 0.563 ' C3 ' ' HZ1' ' C' ' 175' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 211' ' ' 17F . . . . . 0.512 ' N1 ' ' O2P' ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 201' ' ' GSP . . . . . 0.619 ' O3G' 'MG ' ' C' ' 202' ' ' ' MG' . . . . . . . . 0 O4'--C1' 1.436 1.837 2 O4'-C1'-N19 113.328 5.128 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 202' ' ' ' MG' . . . . . 0.619 'MG ' ' O3G' ' C' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 203' ' ' PCW . . . . . 0.63 ' C21' ' C25' ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 204' ' ' PCW . . . . . 0.649 ' C42' ' C46' ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 205' ' ' PCW . . . . . 0.531 ' O3 ' ' O31' ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 206' ' ' PCW . . . . . 0.471 ' C6 ' ' C32' ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 207' ' ' PCW . . . . . 0.705 ' O1P' ' C3 ' ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 208' ' ' PCW . . . . . 0.463 ' C17' ' C18' ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 209' ' ' PCW . . . . . 0.679 ' C22' ' C26' ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 210' ' ' PCW . . . . . 0.645 ' C26' ' C22' ' C' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 211' ' ' PCW . . . . . 0.552 ' C7 ' ' H ' ' C' ' 184' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 212' ' ' PCW . . . . . 0.648 ' C20' ' C24' ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 213' ' ' 17F . . . . . 0.565 ' O7 ' ' O10' ' C' ' 213' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 214' ' ' 17F . . . . . 0.536 ' O10' ' C7 ' ' C' ' 214' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 215' ' ' 17F . . . . . 0.652 ' HN1' ' C4 ' ' C' ' 215' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 216' ' ' PCW . . . . . 0.627 ' C28' ' C24' ' C' ' 216' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 217' ' ' PCW . . . . . 0.622 ' C35' ' C20' ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 218' ' ' 17F . . . . . 0.702 ' O7 ' ' C18' ' C' ' 218' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 219' ' ' 17F . . . . . 0.428 ' O7 ' ' C17' ' C' ' 219' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 94.9 mt . . . . . 0 N--CA 1.455 -0.197 0 CA-C-O 120.837 0.351 . . . . 10.0 110.613 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -58.56 -50.39 73.95 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.808 -0.633 . . . . 10.0 111.378 -179.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 58.7 mt -70.64 -28.74 65.04 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.303 -0.408 . . . . 10.0 111.108 -179.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 89.5 mt -71.64 -48.81 45.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.15 -0.477 . . . . 10.0 110.675 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -61.62 -41.47 97.52 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.638 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -69.2 -35.02 75.79 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 116.115 -0.493 . . . . 10.0 111.228 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 9.3 t90 -63.43 -32.33 73.74 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.129 0.49 . . . . 10.0 110.517 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -63.61 -39.38 94.23 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.743 -0.662 . . . . 10.0 109.892 178.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.04 -31.49 72.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.309 0.576 . . . . 10.0 110.482 179.508 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 33.5 t -74.59 -47.21 40.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.789 -0.641 . . . . 10.0 109.758 178.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 46.7 m -60.44 -43.45 96.82 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.69 -0.687 . . . . 10.0 111.728 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 4.0 p -61.8 -37.35 84.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.965 0.412 . . . . 10.0 110.5 179.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 53.1 m -65.98 -43.66 87.2 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.489 -0.56 . . . . 10.0 109.489 178.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -60.8 -44.07 97.34 Favored 'General case' 0 C--N 1.334 -0.095 0 CA-C-N 115.892 -0.595 . . . . 10.0 110.961 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 46.8 m -63.03 -46.31 88.17 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.318 -0.401 . . . . 10.0 111.072 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 22.7 mttt -65.32 -32.07 73.53 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.002 0.429 . . . . 10.0 110.374 178.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 19.3 mt -68.86 -45.44 71.04 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 108.975 -0.75 . . . . 10.0 108.975 177.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 43.4 mtt180 -62.79 -37.21 85.77 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.737 179.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -64.67 -27.34 68.86 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.938 0.399 . . . . 10.0 110.614 178.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -90.08 -28.65 18.87 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.335 179.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 66.0 mt -56.75 -37.36 70.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.725 -0.67 . . . . 10.0 111.219 179.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -56.12 -66.54 2.77 Favored Glycine 0 C--N 1.332 0.308 0 N-CA-C 111.51 -0.636 . . . . 10.0 111.51 178.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_exo -53.72 -42.99 61.77 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.466 2.111 . . . . 10.0 111.439 178.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 40.3 t -57.68 -52.4 58.04 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.177 0 CA-C-N 116.566 -0.288 . . . . 10.0 111.771 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 15.5 p -61.38 -44.14 97.67 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 121.21 -0.196 . . . . 10.0 111.246 -179.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -62.04 -47.91 82.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.465 -0.334 . . . . 10.0 111.637 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -70.11 -39.1 75.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.539 -0.3 . . . . 10.0 110.918 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 21.3 t80 -65.63 -42.71 91.19 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.991 -0.374 . . . . 10.0 109.991 179.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -64.29 -36.19 83.3 Favored 'General case' 0 CA--C 1.521 -0.153 0 N-CA-C 109.677 -0.49 . . . . 10.0 109.677 178.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.86 -43.7 95.33 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.133 -0.692 . . . . 10.0 109.133 178.246 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 55.6 m-20 -68.1 -31.47 71.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.468 -0.787 . . . . 10.0 109.84 178.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 57.9 mt -70.92 -42.36 69.98 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 108.992 -0.744 . . . . 10.0 108.992 178.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -61.42 -34.37 75.27 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.411 178.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 48.5 mttt -63.77 -47.48 80.8 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 108.873 -0.788 . . . . 10.0 108.873 177.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.72 -43.27 99.23 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.403 -0.817 . . . . 10.0 109.913 179.193 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 3.9 m -68.46 -34.62 76.26 Favored 'General case' 0 C--O 1.224 -0.275 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.048 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -61.56 -46.5 89.64 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 108.615 -0.883 . . . . 10.0 108.615 178.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -61.83 -42.9 99.8 Favored Glycine 0 N--CA 1.444 -0.768 0 N-CA-C 110.175 -1.17 . . . . 10.0 110.175 178.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 43.1 mt -66.04 -29.55 69.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.769 -0.215 . . . . 10.0 111.172 178.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 57.6 mtt180 -70.14 -40.34 74.85 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.17 -0.678 . . . . 10.0 109.17 178.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -71.46 -35.03 70.74 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.577 -0.897 . . . . 10.0 108.577 177.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -67.54 -38.19 83.83 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-N 115.196 -0.911 . . . . 10.0 109.506 178.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 43.1 ttm -61.01 -33.72 73.7 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.353 0.597 . . . . 10.0 109.821 179.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 4.5 m -76.83 6.56 5.92 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.76 -0.655 . . . . 10.0 110.922 179.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 38.5 mttm -130.78 -59.04 1.02 Allowed 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.096 179.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 246' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -56.06 -54.19 47.99 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.927 -0.579 . . . . 10.0 111.052 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . 6.7 mt -75.17 -35.5 61.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.149 -0.478 . . . . 10.0 111.415 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -64.65 -48.02 76.35 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.512 -0.313 . . . . 10.0 111.262 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -66.29 -40.09 89.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.101 -0.499 . . . . 10.0 110.038 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 250' ' ' VAL . . . . . . . . . . . . . 1.9 p -66.19 -35.48 75.1 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.447 0 C-N-CA 120.831 -0.347 . . . . 10.0 110.981 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -74.55 -36.13 63.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.13 0.49 . . . . 10.0 110.976 179.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -74.98 -42.73 57.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.694 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 70.0 mttt -79.54 -23.25 42.98 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.363 0.505 . . . . 10.0 112.363 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 254' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -60.08 -27.19 38.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.957 -0.297 . . . . 10.0 110.931 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -63.84 -65.08 2.25 Favored Pre-proline 0 N--CA 1.452 -0.35 0 CA-C-N 116.11 -0.496 . . . . 10.0 111.301 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -65.81 -30.06 49.93 Favored 'Trans proline' 0 C--N 1.358 1.042 0 C-N-CA 121.809 1.672 . . . . 10.0 112.103 179.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 6.2 m-30 -67.24 -53.77 27.02 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.756 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 19.4 mt -70.07 -33.35 71.81 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 116.426 -0.352 . . . . 10.0 110.51 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -60.79 -40.21 91.77 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.655 -0.498 . . . . 10.0 109.655 178.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -70.45 -43.92 68.89 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.448 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -63.56 -48.85 75.77 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.244 179.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -63.43 -37.82 88.75 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.764 -0.653 . . . . 10.0 110.27 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 26.5 ttmt -61.16 -46.61 89.83 Favored 'General case' 0 CA--C 1.519 -0.227 0 N-CA-C 109.585 -0.524 . . . . 10.0 109.585 178.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 264' ' ' LYS . . . . . . . . . . . . . 54.3 mttt -64.56 -41.23 96.45 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.816 -0.629 . . . . 10.0 109.808 178.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 16.8 m95 -62.9 -35.61 80.63 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.06 178.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -61.79 -47.45 85.11 Favored 'General case' 0 C--O 1.233 0.237 0 N-CA-C 108.822 -0.807 . . . . 10.0 108.822 178.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -63.06 -43.49 98.48 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 115.831 -0.622 . . . . 10.0 109.474 178.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -58.36 -43.6 88.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.751 -0.659 . . . . 10.0 110.406 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 56.4 mmm -63.66 -43.02 97.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.785 -0.643 . . . . 10.0 109.691 178.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -63.85 -47.02 82.4 Favored 'General case' 0 C--O 1.224 -0.256 0 CA-C-N 116.084 -0.507 . . . . 10.0 109.921 179.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 72.2 mt -59.43 -42.9 92.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.395 179.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -67.84 -36.05 79.66 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.848 179.457 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 69.9 mtt180 -72.55 -35.44 68.03 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.921 0.391 . . . . 10.0 110.712 179.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -75.01 -20.16 59.75 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.248 179.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 275' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -95.57 -41.43 8.94 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.735 -0.666 . . . . 10.0 111.347 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 7.8 p -55.96 -35.41 40.71 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.262 0 N-CA-C 112.86 0.689 . . . . 10.0 112.86 -178.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -61.3 -63.01 4.82 Favored Pre-proline 0 CA--C 1.538 0.494 0 N-CA-C 112.379 0.511 . . . . 10.0 112.379 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -64.51 -37.21 39.41 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 121.731 1.621 . . . . 10.0 112.146 179.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 19.0 mt -64.26 -46.58 83.13 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.864 -0.153 . . . . 10.0 111.242 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 31.7 ttm180 -64.87 -32.78 74.64 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.629 -0.508 . . . . 10.0 109.629 178.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -64.54 -45.78 85.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.97 -0.559 . . . . 10.0 109.543 178.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -65.11 -40.98 95.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.558 -0.746 . . . . 10.0 109.615 178.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 84.7 mt -67.27 -32.84 74.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.98 -0.554 . . . . 10.0 110.61 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 -72.48 -50.2 27.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 10.0 109.887 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -63.63 -43.32 97.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 10.0 109.695 178.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -61.12 -41.72 99.56 Favored Glycine 0 N--CA 1.445 -0.766 0 N-CA-C 110.522 -1.031 . . . . 10.0 110.522 178.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -63.9 -45.77 87.86 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 109.27 -0.641 . . . . 10.0 109.27 178.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 62.5 mtt180 -55.92 -47.95 76.57 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.648 179.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 7.5 tm0? -66.26 -53.04 41.62 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.897 0.332 . . . . 10.0 111.897 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 290' ' ' LYS . . . . . 0.462 ' HZ3' ' CD ' ' D' ' 491' ' ' GLU . 70.5 mttt -60.89 -47.0 88.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.389 -0.369 . . . . 10.0 111.976 -179.13 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 97.0 mt -67.05 -31.46 71.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.503 -0.317 . . . . 10.0 110.418 179.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -64.26 -45.05 89.78 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 109.436 -0.579 . . . . 10.0 109.436 179.07 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.99 -36.55 81.82 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.691 -0.686 . . . . 10.0 109.632 178.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 77.1 mt -67.54 -41.91 83.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.911 -0.586 . . . . 10.0 109.635 178.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -64.68 -36.08 83.13 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.593 -0.521 . . . . 10.0 109.593 178.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -67.2 -10.79 54.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.349 -0.841 . . . . 10.0 110.406 179.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp -109.06 -32.46 7.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.179 178.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 66.0 mt -61.08 -30.39 70.31 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.118 -0.492 . . . . 10.0 111.527 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 299' ' ' SER . . . . . . . . . . . . . 12.9 m -75.66 -63.01 0.7 Allowed Pre-proline 0 C--N 1.324 -0.511 0 CA-C-O 119.304 -0.379 . . . . 10.0 111.877 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 300' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -63.42 -53.11 1.56 Allowed 'Trans proline' 0 C--N 1.358 1.046 0 C-N-CA 121.884 1.723 . . . . 10.0 112.401 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 85.0 mt -65.93 -28.12 68.69 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-O 120.866 0.365 . . . . 10.0 110.061 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -68.84 -55.58 10.88 Favored Glycine 0 N--CA 1.448 -0.516 0 N-CA-C 110.989 -0.844 . . . . 10.0 110.989 178.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -60.07 -40.17 88.57 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.417 -0.586 . . . . 10.0 109.417 178.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -59.18 -47.39 85.5 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.347 -0.842 . . . . 10.0 109.744 178.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 12.8 tpt -63.88 -42.65 97.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.282 178.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 77.5 mtt180 -60.04 -52.3 65.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.885 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -63.33 -38.91 92.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.421 -0.354 . . . . 10.0 111.021 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 -68.15 -36.82 80.27 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.458 -0.337 . . . . 10.0 110.109 178.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -64.97 -38.06 89.72 Favored 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 108.905 -0.776 . . . . 10.0 108.905 178.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 310' ' ' ARG . . . . . . . . . . . . . 90.6 mtt180 -59.32 -43.79 92.65 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.481 -0.781 . . . . 10.0 109.261 178.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -68.04 -40.6 82.84 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.96 -0.564 . . . . 10.0 109.912 179.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -56.61 -52.48 64.69 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.673 -0.694 . . . . 10.0 110.089 179.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 24.6 t -74.05 -29.74 26.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.749 -0.66 . . . . 10.0 111.423 -179.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -62.52 -47.81 82.27 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.906 0.384 . . . . 10.0 110.322 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -64.88 -37.64 88.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.789 -0.641 . . . . 10.0 109.688 178.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 52.5 mt -66.98 -42.76 84.55 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-N 115.68 -0.691 . . . . 10.0 110.421 179.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 23.2 ttm105 -64.1 -47.38 80.28 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.948 -0.39 . . . . 10.0 109.948 179.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 26.5 m -62.52 -29.17 70.36 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.25 179.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -82.85 -39.97 20.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.506 179.314 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 32.4 mt -66.12 -31.29 72.07 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.322 0.49 . . . . 10.0 112.322 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -51.8 -60.99 4.87 Favored Pre-proline 0 CA--C 1.54 0.591 0 N-CA-C 112.169 0.433 . . . . 10.0 112.169 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -71.74 -31.57 12.91 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 121.748 1.632 . . . . 10.0 111.254 178.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 10.1 m-30 -61.68 -50.13 73.73 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-N 116.691 -0.231 . . . . 10.0 110.742 179.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 27.3 p -64.59 -37.52 87.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.899 0.381 . . . . 10.0 110.337 179.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.41 -43.95 97.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 10.0 110.36 179.029 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -75.1 -27.12 59.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.27 179.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 23.5 mt -66.11 -34.18 77.48 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 108.369 -0.974 . . . . 10.0 108.369 177.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 62.9 mtt180 -68.74 -35.68 77.42 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 108.646 -0.872 . . . . 10.0 108.646 177.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -65.26 -42.05 93.63 Favored 'General case' 0 CA--C 1.521 -0.168 0 N-CA-C 108.574 -0.899 . . . . 10.0 108.574 177.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 79.2 mtt180 -60.39 -52.15 66.45 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.117 -0.947 . . . . 10.0 108.516 177.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 67.6 mt -55.57 -43.8 76.27 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 115.646 -0.707 . . . . 10.0 110.304 179.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -59.21 -50.72 72.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.018 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -59.8 -41.94 92.32 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.332 -0.395 . . . . 10.0 110.482 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -63.51 -50.12 70.85 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.777 -0.647 . . . . 10.0 109.748 179.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 73.2 mt -61.93 -39.29 91.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 10.0 111.394 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -62.23 -50.44 71.76 Favored 'General case' 0 CA--C 1.519 -0.223 0 N-CA-C 109.769 -0.456 . . . . 10.0 109.769 179.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -62.49 -42.78 99.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.035 -0.53 . . . . 10.0 109.922 179.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 84.6 mt -63.18 -24.37 67.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.71 -0.677 . . . . 10.0 111.928 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -88.03 -47.42 8.54 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.48 0.181 . . . . 10.0 110.829 179.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -63.28 -52.92 60.06 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.228 0.537 . . . . 10.0 109.99 178.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -71.92 -34.33 68.99 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.576 -0.738 . . . . 10.0 109.957 179.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -64.31 -42.5 97.75 Favored Glycine 0 N--CA 1.452 -0.291 0 CA-C-N 115.749 -0.659 . . . . 10.0 111.883 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -61.66 -40.98 99.5 Favored Glycine 0 N--CA 1.448 -0.56 0 N-CA-C 110.657 -0.977 . . . . 10.0 110.657 178.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -63.33 -42.83 99.0 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.426 -0.583 . . . . 10.0 109.426 178.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 59.0 mtm180 -64.74 -39.72 94.1 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.259 179.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 60.1 mt -62.41 -47.95 81.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.07 -0.513 . . . . 10.0 110.717 179.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.61 -45.86 90.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.032 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -63.32 -47.03 83.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.694 -0.684 . . . . 10.0 110.683 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -62.17 -34.96 77.4 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.007 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -67.02 -46.22 75.14 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.007 -0.542 . . . . 10.0 109.614 178.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -63.22 -44.48 95.14 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 115.801 -0.636 . . . . 10.0 110.295 179.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 12.9 mttm -63.28 -37.43 87.21 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.609 179.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -61.41 -44.71 96.66 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.669 -0.493 . . . . 10.0 109.669 179.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 1.5 m -65.05 -34.96 79.68 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.034 -0.53 . . . . 10.0 109.95 178.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -62.69 -45.65 91.81 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 109.283 -0.636 . . . . 10.0 109.283 178.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 61.9 m-70 -67.99 -35.84 79.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.457 -0.792 . . . . 10.0 110.031 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 59.3 mt -64.79 -41.92 95.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 10.0 111.074 179.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 46.6 m -61.38 -45.68 93.37 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.842 0.353 . . . . 10.0 110.806 179.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 1.1 p -73.53 -27.61 61.44 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-O 121.073 0.463 . . . . 10.0 109.877 179.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 13.9 tp -68.58 -30.64 69.44 Favored 'General case' 0 C--O 1.224 -0.278 0 N-CA-C 109.098 -0.705 . . . . 10.0 109.098 178.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 51.0 m -65.99 -29.53 69.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.58 -0.736 . . . . 10.0 109.548 178.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -70.18 -20.87 63.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.551 0.691 . . . . 10.0 109.213 178.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 363' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -91.22 -34.62 14.91 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.355 -0.839 . . . . 10.0 109.254 178.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -74.49 -38.89 62.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.609 -0.723 . . . . 10.0 112.519 -179.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -94.71 -76.49 0.03 OUTLIER Pre-proline 0 CA--C 1.536 0.429 0 N-CA-C 112.895 0.702 . . . . 10.0 112.895 -179.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.9 -53.15 3.43 Favored 'Trans proline' 0 C--N 1.359 1.104 0 C-N-CA 122.572 2.182 . . . . 10.0 113.72 -178.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 367' ' ' ALA . . . . . . . . . . . . . . . -59.37 -56.77 17.8 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.245 0.461 . . . . 10.0 112.245 -178.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 13.0 mt -58.27 -40.07 80.88 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 112.147 0.425 . . . . 10.0 112.147 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.81 -51.11 71.14 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 123.139 0.274 . . . . 10.0 110.294 179.41 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -64.78 -31.64 72.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.334 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 42.1 mt -65.48 -44.67 86.38 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.968 -0.753 . . . . 10.0 108.968 178.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 58.7 mtt180 -63.59 -43.62 96.4 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.96 -0.564 . . . . 10.0 109.697 178.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -66.25 -26.46 67.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.387 -0.824 . . . . 10.0 111.084 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -86.9 -33.74 12.07 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 121.132 -0.556 . . . . 10.0 111.94 179.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 73.5 mt -71.85 -37.18 70.28 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.684 0.253 . . . . 10.0 111.684 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 25.1 mt -50.47 -58.41 9.99 Favored Pre-proline 0 CA--C 1.537 0.476 0 N-CA-C 113.322 0.86 . . . . 10.0 113.322 -179.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -62.88 -26.65 74.58 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 122.068 1.845 . . . . 10.0 111.548 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 41.1 t -69.83 -46.78 73.09 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 N-CA-C 108.579 -0.897 . . . . 10.0 108.579 178.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 52.0 mt -63.16 -34.9 78.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.41 -0.814 . . . . 10.0 109.277 178.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -60.32 -48.4 81.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.677 -0.692 . . . . 10.0 109.894 178.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 1.2 p -66.55 -35.04 79.26 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 120.983 0.42 . . . . 10.0 109.932 179.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -64.82 -33.28 75.62 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-N 115.759 -0.655 . . . . 10.0 110.765 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -59.02 -43.48 91.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.086 0.47 . . . . 10.0 109.789 179.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 21.2 t -63.85 -41.57 92.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.757 -0.656 . . . . 10.0 109.538 179.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 4.2 m -65.1 -43.89 90.58 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.815 -0.629 . . . . 10.0 110.937 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -64.5 -49.7 70.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 10.0 111.095 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 95.3 mt -61.31 -44.68 96.8 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.056 -0.52 . . . . 10.0 112.365 -179.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 11.7 p -61.86 -40.79 96.6 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.61 -0.268 . . . . 10.0 111.058 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -60.51 -43.01 97.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.13 179.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 81.9 mt -59.31 -41.34 88.83 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.464 -0.789 . . . . 10.0 109.776 179.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -66.06 -45.63 80.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.559 -0.746 . . . . 10.0 110.128 179.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -60.16 -47.57 85.38 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.09 -0.504 . . . . 10.0 112.042 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -59.61 -43.54 93.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.693 0.282 . . . . 10.0 111.315 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 7.2 m -71.01 -31.98 68.63 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.344 0.498 . . . . 10.0 112.344 -179.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -79.12 -36.55 40.44 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.137 0.421 . . . . 10.0 112.137 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -91.92 -39.13 11.87 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 114.318 1.229 . . . . 10.0 114.318 -177.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 95.9 mt -105.16 16.35 25.93 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.86 0.689 . . . . 10.0 112.86 -177.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 45.4 t30 . . . . . 0 C--N 1.324 -0.529 0 CA-C-N 116.786 -0.188 . . . . 10.0 110.88 179.353 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 2.6 mm? . . . . . 0 CA--C 1.517 -0.293 0 CA-C-O 121.293 0.568 . . . . 10.0 109.872 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -115.76 28.05 8.9 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.244 -0.889 . . . . 10.0 109.76 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 92.7 mt -63.89 -32.58 74.15 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.792 -0.64 . . . . 10.0 111.175 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 23.0 mt -70.37 -34.45 72.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.944 0.402 . . . . 10.0 109.938 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -63.5 -53.86 45.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.63 -0.713 . . . . 10.0 110.737 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -66.05 -37.92 87.05 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.881 -0.599 . . . . 10.0 111.649 -179.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 17.2 t90 -62.59 -41.77 99.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.388 -0.369 . . . . 10.0 110.512 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -60.6 -31.84 70.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.288 -0.415 . . . . 10.0 110.577 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 2.0 m -65.48 -46.09 81.12 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.238 -0.652 . . . . 10.0 109.238 178.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 17.4 t -63.76 -37.58 80.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.852 -0.613 . . . . 10.0 109.629 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 27.3 m -62.37 -42.9 99.78 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.92 -0.582 . . . . 10.0 109.431 178.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 18.9 m -62.63 -41.47 99.03 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.833 -0.621 . . . . 10.0 109.703 178.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 16.8 m -61.31 -45.02 96.18 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 115.671 -0.695 . . . . 10.0 110.249 178.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -58.74 -45.03 90.61 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.196 -0.456 . . . . 10.0 109.899 178.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 4.6 m -60.67 -42.8 97.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.737 -0.665 . . . . 10.0 109.832 178.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 34.5 mmtt -62.42 -34.72 77.31 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.054 178.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 92.2 mt -66.48 -40.12 89.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.008 -0.542 . . . . 10.0 109.583 179.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 28.7 mtt180 -67.36 -34.93 78.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.62 179.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -65.74 -25.19 67.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 10.0 109.801 178.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -86.32 -53.53 4.96 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 108.722 -0.844 . . . . 10.0 108.722 178.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 72.1 mt -47.81 -38.42 15.84 Favored 'General case' 0 CA--C 1.522 -0.13 0 CA-C-N 115.352 -0.84 . . . . 10.0 112.578 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -53.1 -77.5 0.14 Allowed Glycine 0 CA--C 1.522 0.479 0 O-C-N 123.553 0.533 . . . . 10.0 112.339 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -61.62 -36.35 76.02 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.737 2.291 . . . . 10.0 112.056 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 4.9 t -56.14 -49.54 75.45 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.36 0 CA-C-N 116.552 -0.295 . . . . 10.0 111.559 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 22.9 p -65.48 -32.87 74.71 Favored 'General case' 0 C--O 1.226 -0.15 0 C-N-CA 120.893 -0.323 . . . . 10.0 111.652 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -64.59 -53.81 41.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.877 0.37 . . . . 10.0 110.132 179.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -70.2 -30.09 67.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.31 -0.405 . . . . 10.0 110.614 179.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -67.87 -41.18 83.24 Favored 'General case' 0 C--O 1.221 -0.412 0 N-CA-C 109.191 -0.67 . . . . 10.0 109.191 178.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 2.6 m0 -64.57 -42.96 95.32 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.086 -0.709 . . . . 10.0 109.086 178.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -64.71 -36.15 83.36 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.062 -0.718 . . . . 10.0 109.062 178.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -65.98 -42.53 89.71 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.642 -0.874 . . . . 10.0 108.642 177.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 85.6 mt -60.18 -37.96 81.78 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-N 115.486 -0.779 . . . . 10.0 108.951 178.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -62.46 -40.62 97.22 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 115.69 -0.687 . . . . 10.0 109.42 178.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -65.94 -38.38 88.49 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.695 -0.854 . . . . 10.0 108.695 178.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -67.51 -52.76 35.21 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.702 -0.681 . . . . 10.0 111.209 179.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 7.2 p -59.94 -49.92 75.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.593 0.235 . . . . 10.0 111.068 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -64.94 -37.52 87.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.781 0.324 . . . . 10.0 110.975 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -66.61 -47.14 70.65 Favored Glycine 0 C--O 1.227 -0.303 0 N-CA-C 110.889 -0.884 . . . . 10.0 110.889 178.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 90.8 mt -64.65 -35.47 81.14 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 109.95 -0.389 . . . . 10.0 109.95 179.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 78.3 mtt180 -64.6 -30.74 71.77 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.193 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -64.41 -41.23 96.74 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.601 -0.518 . . . . 10.0 109.601 179.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -77.74 -37.13 49.95 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.119 -0.697 . . . . 10.0 109.119 178.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 57.9 mmm -61.5 -46.02 91.77 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 115.511 -0.768 . . . . 10.0 112.333 -179.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 2.3 p -57.98 -46.62 84.87 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-O 121.072 0.463 . . . . 10.0 110.307 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -66.67 -44.22 82.41 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.668 -0.696 . . . . 10.0 110.203 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -61.4 -44.9 96.35 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.819 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 56.1 mt -67.08 -43.07 83.55 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.199 0.444 . . . . 10.0 112.199 -179.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 446' ' ' GLU . . . . . 0.436 ' CD ' ' HZ1' ' D' ' 449' ' ' LYS . 75.6 mm-40 -71.82 -45.95 59.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.025 0.441 . . . . 10.0 111.251 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 447' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.73 -28.19 67.44 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.991 -0.55 . . . . 10.0 111.614 -179.6 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -65.09 -28.17 44.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 C-N-CA 120.976 -0.29 . . . . 10.0 110.71 179.355 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 449' ' ' LYS . . . . . 0.436 ' HZ1' ' CD ' ' D' ' 446' ' ' GLU . 89.6 mttt -67.19 -33.67 75.89 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.006 -0.738 . . . . 10.0 109.006 178.583 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -87.5 8.26 25.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.237 -0.892 . . . . 10.0 110.333 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 35.6 mmtm -118.56 -52.24 2.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.821 178.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 78.5 t -60.45 -43.87 95.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.917 -0.583 . . . . 10.0 111.13 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -55.31 -61.53 5.88 Favored Pre-proline 0 CA--C 1.54 0.561 0 N-CA-C 112.153 0.427 . . . . 10.0 112.153 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -67.44 -30.34 36.33 Favored 'Trans proline' 0 C--N 1.355 0.918 0 C-N-CA 122.145 1.897 . . . . 10.0 112.758 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -67.02 -49.83 64.01 Favored 'General case' 0 CA--C 1.521 -0.143 0 N-CA-C 109.761 -0.459 . . . . 10.0 109.761 179.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 21.6 mt -66.96 -33.83 76.43 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.542 -0.54 . . . . 10.0 109.542 178.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -62.03 -55.32 30.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.767 -0.651 . . . . 10.0 110.009 178.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -64.25 -35.57 81.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.475 179.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.56 -47.86 77.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.07 -0.513 . . . . 10.0 109.95 178.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -61.99 -37.67 85.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.092 -0.504 . . . . 10.0 110.1 179.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -62.73 -42.68 99.78 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.995 -0.548 . . . . 10.0 109.546 178.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.86 -33.92 74.6 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.663 -0.699 . . . . 10.0 109.52 178.473 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 38.9 m0 -66.26 -42.18 88.88 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 109.301 -0.629 . . . . 10.0 109.301 178.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -63.03 -47.5 82.74 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 108.975 -0.75 . . . . 10.0 108.975 178.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 465' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -54.88 -52.17 63.67 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.617 -0.719 . . . . 10.0 109.74 178.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -62.79 -41.54 99.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.431 -0.804 . . . . 10.0 111.231 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 45.1 ttm -61.31 -44.59 96.96 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.817 0.341 . . . . 10.0 110.439 179.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -65.81 -39.13 90.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.951 -0.568 . . . . 10.0 109.614 178.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 469' ' ' LEU . . . . . . . . . . . . . 84.7 mt -64.11 -41.66 97.18 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.661 -0.7 . . . . 10.0 109.469 178.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 11.6 m-30 -68.16 -29.35 68.21 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 110.042 -0.355 . . . . 10.0 110.042 178.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -72.61 -16.97 61.72 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.466 -0.568 . . . . 10.0 109.466 177.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -112.82 6.01 17.78 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.027 179.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 473' ' ' LYS . . . . . . . . . . . . . 47.7 mttp -125.04 -65.78 1.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.78 -0.646 . . . . 10.0 110.436 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 60.8 t -63.25 -40.76 90.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.028 -0.533 . . . . 10.0 111.091 -179.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -57.91 -59.89 11.73 Favored Pre-proline 0 CA--C 1.531 0.247 0 N-CA-C 112.249 0.462 . . . . 10.0 112.249 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -63.15 -36.5 57.8 Favored 'Trans proline' 0 C--N 1.354 0.86 0 C-N-CA 121.574 1.516 . . . . 10.0 110.824 178.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 11.1 mt -60.97 -37.68 83.26 Favored 'General case' 0 C--O 1.223 -0.306 0 N-CA-C 109.617 -0.512 . . . . 10.0 109.617 178.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 24.3 mtt180 -60.09 -36.02 76.47 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 109.418 -0.586 . . . . 10.0 109.418 178.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -73.53 -43.27 60.39 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.661 -0.7 . . . . 10.0 110.18 179.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.74 -43.33 96.79 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.642 -0.503 . . . . 10.0 109.642 178.434 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 66.2 mt -68.94 -30.95 69.5 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-N 115.948 -0.569 . . . . 10.0 109.765 178.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -64.4 -49.47 71.43 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.125 -0.694 . . . . 10.0 109.125 178.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -66.1 -41.44 90.59 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.944 -0.571 . . . . 10.0 109.53 178.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -62.2 -43.48 99.05 Favored Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 111.512 -0.635 . . . . 10.0 111.512 179.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -68.08 -39.54 82.9 Favored 'General case' 0 CA--C 1.517 -0.312 0 N-CA-C 109.907 -0.405 . . . . 10.0 109.907 179.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 -64.6 -42.82 95.32 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 109.641 -0.503 . . . . 10.0 109.641 178.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -65.52 -43.45 90.02 Favored 'General case' 0 C--O 1.221 -0.412 0 N-CA-C 109.235 -0.654 . . . . 10.0 109.235 178.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -63.29 -39.0 93.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.099 178.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 18.8 mt -62.48 -45.46 92.92 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.023 -0.732 . . . . 10.0 109.023 178.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 16.7 t-160 -62.27 -48.49 79.7 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.992 -0.744 . . . . 10.0 108.992 178.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 491' ' ' GLU . . . . . 0.462 ' CD ' ' HZ3' ' A' ' 290' ' ' LYS . 53.8 mt-10 -55.07 -47.12 75.31 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.297 179.036 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 12.9 mt -68.14 -40.94 82.31 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 116.08 -0.509 . . . . 10.0 111.513 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -63.58 -31.62 72.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.815 0.341 . . . . 10.0 111.334 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -76.48 1.86 15.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.246 0.546 . . . . 10.0 110.307 178.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 495' ' ' LYS . . . . . . . . . . . . . 27.5 mttp -120.55 -38.34 2.89 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.547 -0.751 . . . . 10.0 109.54 178.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 96.1 mt -62.84 -22.87 66.98 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 115.963 -0.562 . . . . 10.0 111.433 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 497' ' ' SER . . . . . . . . . . . . . 19.8 m -83.17 -63.22 0.26 Allowed Pre-proline 0 CA--C 1.541 0.6 0 CA-C-N 116.62 -0.264 . . . . 10.0 111.467 178.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 498' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -63.38 -48.75 5.47 Favored 'Trans proline' 0 C--N 1.357 0.976 0 C-N-CA 122.092 1.861 . . . . 10.0 111.971 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 499' ' ' LEU . . . . . . . . . . . . . 46.1 mt -76.22 -29.36 57.55 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 116.714 -0.221 . . . . 10.0 110.765 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -64.49 -50.11 61.17 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.577 -0.82 . . . . 10.0 111.113 179.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -70.68 -31.23 68.05 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 178.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 502' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -65.62 -47.39 75.8 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.627 -0.715 . . . . 10.0 109.895 178.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 79.6 mmm -60.25 -37.64 81.02 Favored 'General case' 0 CA--C 1.52 -0.2 0 N-CA-C 109.575 -0.528 . . . . 10.0 109.575 178.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -68.29 -40.35 81.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.615 178.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -66.58 -36.39 82.51 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.73 -0.47 . . . . 10.0 109.73 178.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 506' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -63.86 -48.33 77.17 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 107.333 -1.358 . . . . 10.0 107.333 177.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -58.57 -38.27 77.53 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 114.972 -1.013 . . . . 10.0 109.803 178.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 508' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -59.4 -46.58 88.3 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 109.246 -0.65 . . . . 10.0 109.246 178.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -63.33 -38.21 90.26 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.455 -0.793 . . . . 10.0 111.191 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 84.4 m-70 -72.31 -45.38 60.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.456 -0.338 . . . . 10.0 110.257 179.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 39.8 t -63.07 -42.06 95.19 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.084 179.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -66.88 -35.35 79.82 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-N 116.075 -0.511 . . . . 10.0 109.909 179.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -62.55 -43.15 99.51 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.82 -0.807 . . . . 10.0 108.82 178.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 514' ' ' LEU . . . . . . . . . . . . . 83.4 mt -61.25 -25.31 67.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.708 -0.678 . . . . 10.0 110.471 179.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 515' ' ' ARG . . . . . . . . . . . . . 78.0 mtt180 -68.57 -30.01 68.69 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.586 -0.524 . . . . 10.0 109.586 178.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.78 -17.02 17.89 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.403 179.368 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 33.8 m170 -97.18 -78.31 0.48 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.034 -0.53 . . . . 10.0 111.53 -179.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 39.2 mt -60.15 -45.29 93.56 Favored 'General case' 0 C--O 1.232 0.147 0 N-CA-C 113.586 0.958 . . . . 10.0 113.586 -178.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 519' ' ' ALA . . . . . . . . . . . . . . . -52.84 -61.6 4.52 Favored Pre-proline 0 CA--C 1.535 0.4 0 N-CA-C 112.893 0.701 . . . . 10.0 112.893 -178.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 520' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -65.6 -40.07 19.12 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 121.782 1.655 . . . . 10.0 111.515 179.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -59.05 -40.64 85.73 Favored 'General case' 0 C--O 1.226 -0.15 0 CA-C-N 116.501 -0.318 . . . . 10.0 111.694 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 78.0 p -62.7 -36.01 81.55 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.919 -0.312 . . . . 10.0 110.875 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -72.3 -39.81 67.98 Favored 'General case' 0 CA--C 1.52 -0.176 0 N-CA-C 109.879 -0.415 . . . . 10.0 109.879 178.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -65.62 -32.89 74.7 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 108.66 -0.867 . . . . 10.0 108.66 178.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.71 -31.35 66.64 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 114.983 -1.008 . . . . 10.0 109.039 177.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 526' ' ' ARG . . . . . . . . . . . . . 64.2 mtt180 -61.96 -34.66 76.54 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 116.125 -0.488 . . . . 10.0 109.744 178.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -64.27 -40.78 96.68 Favored 'General case' 0 C--N 1.333 -0.109 0 N-CA-C 109.004 -0.739 . . . . 10.0 109.004 178.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 528' ' ' ARG . . . . . . . . . . . . . 67.3 mtt180 -68.61 -42.95 77.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.248 -0.887 . . . . 10.0 108.93 178.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 96.5 mt -62.57 -40.06 95.65 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-N 115.712 -0.676 . . . . 10.0 109.898 178.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -62.99 -44.46 95.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.887 -0.597 . . . . 10.0 109.812 178.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -63.53 -42.31 98.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.025 -0.534 . . . . 10.0 109.668 178.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 18.0 ttm180 -65.47 -42.89 91.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.747 -0.66 . . . . 10.0 110.038 179.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 58.9 mt -66.93 -36.39 82.15 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.696 -0.483 . . . . 10.0 109.696 179.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -61.94 -47.34 85.31 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.633 -0.877 . . . . 10.0 108.633 178.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -63.72 -40.85 97.76 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.462 -0.79 . . . . 10.0 109.278 178.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 13.3 mt -60.67 -35.6 76.64 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.804 -0.635 . . . . 10.0 111.056 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -78.03 -43.17 30.16 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.957 0.408 . . . . 10.0 110.968 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -65.36 -50.32 66.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.537 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -73.23 -36.65 66.48 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.734 -0.469 . . . . 10.0 109.734 179.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -63.8 -43.9 97.01 Favored Glycine 0 N--CA 1.445 -0.715 0 CA-C-N 115.586 -0.734 . . . . 10.0 111.546 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -61.04 -39.19 96.73 Favored Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 110.594 -1.003 . . . . 10.0 110.594 178.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -67.5 -42.69 82.46 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 109.241 -0.651 . . . . 10.0 109.241 178.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 49.2 mtt180 -62.79 -41.84 99.45 Favored 'General case' 0 C--O 1.222 -0.381 0 CA-C-N 115.762 -0.654 . . . . 10.0 109.859 178.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 72.1 mt -59.74 -41.66 91.41 Favored 'General case' 0 CA--C 1.519 -0.227 0 N-CA-C 109.756 -0.461 . . . . 10.0 109.756 178.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -62.99 -47.0 85.01 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.771 -0.65 . . . . 10.0 109.345 178.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -61.88 -45.19 94.83 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.794 178.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -61.39 -43.7 98.41 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.41 -0.359 . . . . 10.0 110.735 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -66.4 -39.44 89.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.09 179.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -66.61 -45.06 80.37 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.611 -0.515 . . . . 10.0 109.611 179.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.79 -25.79 63.96 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.967 -0.561 . . . . 10.0 110.52 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -65.62 -42.45 91.55 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.759 -0.46 . . . . 10.0 109.759 178.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -65.45 -42.74 92.05 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 108.991 -0.744 . . . . 10.0 108.991 178.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -65.43 -43.0 91.86 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.859 -0.61 . . . . 10.0 109.974 179.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 27.2 t60 -60.19 -45.61 92.55 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 108.836 -0.802 . . . . 10.0 108.836 178.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 26.3 tp -64.29 -38.69 91.93 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 115.81 -0.632 . . . . 10.0 109.923 178.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 54.6 m -60.29 -44.38 95.43 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.414 179.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.09 -33.53 70.28 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.921 0.391 . . . . 10.0 110.712 178.728 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 48.5 mt -64.15 -51.64 62.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.118 -0.492 . . . . 10.0 109.976 179.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 4.9 m -66.3 -36.34 82.69 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 109.621 -0.511 . . . . 10.0 109.621 179.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -59.4 -35.14 73.39 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-N 115.586 -0.734 . . . . 10.0 110.23 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.21 -40.27 12.98 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.902 -0.59 . . . . 10.0 111.234 179.672 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -52.77 -44.51 66.59 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.57 0.582 . . . . 10.0 112.57 -179.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -55.34 -63.59 2.92 Favored Pre-proline 0 CA--C 1.537 0.453 0 N-CA-C 112.813 0.672 . . . . 10.0 112.813 -179.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.65 -34.46 14.9 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 122.055 1.836 . . . . 10.0 112.969 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -63.88 -55.13 25.07 Favored 'General case' 0 CA--C 1.522 -0.11 0 C-N-CA 121.209 -0.196 . . . . 10.0 111.147 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 46.4 mt -59.06 -41.35 87.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.657 0.265 . . . . 10.0 110.794 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -64.69 -48.22 75.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.265 -0.425 . . . . 10.0 111.204 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.5 -37.87 89.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.727 0.299 . . . . 10.0 110.486 179.546 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 59.5 mt -62.87 -43.37 98.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.052 -0.522 . . . . 10.0 109.616 178.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 64.1 mtt180 -66.88 -49.62 65.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.22 -0.445 . . . . 10.0 110.522 178.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -62.93 -21.45 66.07 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.776 -0.647 . . . . 10.0 111.488 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -92.12 -43.44 4.38 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.68 -0.772 . . . . 10.0 111.199 178.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 21.4 mt -65.06 -37.38 87.38 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.276 0.472 . . . . 10.0 112.276 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 56.1 mt -51.62 -62.57 2.85 Favored Pre-proline 0 CA--C 1.535 0.386 0 N-CA-C 112.907 0.706 . . . . 10.0 112.907 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.51 -34.48 33.44 Favored 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 121.706 1.604 . . . . 10.0 111.909 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 24.9 t -64.77 -45.51 94.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.603 0.239 . . . . 10.0 110.656 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 63.1 mt -65.62 -40.92 93.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.494 -0.321 . . . . 10.0 110.584 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -61.79 -41.27 97.53 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.967 -0.382 . . . . 10.0 109.967 178.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 16.6 m -68.14 -38.55 82.3 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.892 -0.595 . . . . 10.0 109.707 178.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -60.87 -42.39 97.81 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.033 -0.531 . . . . 10.0 109.833 178.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -59.06 -37.38 76.91 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.231 178.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 52.3 t -64.42 -47.4 89.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 109.544 -0.539 . . . . 10.0 109.544 178.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 10.7 p -66.66 -30.82 71.17 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.987 179.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -70.74 -44.56 66.54 Favored 'General case' 0 CA--C 1.521 -0.146 0 N-CA-C 109.66 -0.496 . . . . 10.0 109.66 178.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 73.8 mt -59.04 -47.89 83.57 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.629 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 1.3 p -65.43 -33.59 76.3 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.542 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -68.14 -47.75 67.24 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.679 -0.489 . . . . 10.0 109.679 178.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 99.2 mt -58.93 -47.59 84.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.859 -0.61 . . . . 10.0 110.589 179.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -56.89 -47.58 80.19 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.414 -0.357 . . . . 10.0 110.569 179.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -63.38 -46.14 87.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.92 -0.582 . . . . 10.0 111.161 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -60.62 -38.31 84.34 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.323 -0.399 . . . . 10.0 110.97 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 28.7 m -63.94 -31.02 72.06 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.704 179.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -76.67 -47.46 22.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.559 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 5.2 mptt -70.34 -33.5 71.56 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.887 -0.597 . . . . 10.0 111.962 -179.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 94.6 mt -103.73 39.74 1.56 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.038 0.447 . . . . 10.0 110.77 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 . . . . . 0 C--N 1.321 -0.638 0 CA-C-N 116.399 -0.364 . . . . 10.0 111.064 179.785 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 2.5 m . . . . . 0 N--CA 1.456 -0.175 0 CA-C-O 120.761 0.315 . . . . 10.0 110.344 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.97 143.64 32.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.277 -0.42 . . . . 10.0 110.379 179.62 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -101.6 134.05 45.33 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.554 -0.294 . . . . 10.0 110.519 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -133.11 129.75 38.35 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.376 -0.375 . . . . 10.0 110.992 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 54.7 mttm -97.57 108.02 20.64 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.412 -0.358 . . . . 10.0 110.177 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 62.0 mt -107.85 133.9 51.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.262 -0.427 . . . . 10.0 110.899 -178.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 65.4 t -121.13 122.49 67.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.094 0.473 . . . . 10.0 110.802 179.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 41.5 t -89.85 109.57 20.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 109.395 -0.594 . . . . 10.0 109.395 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 4.7 m -109.18 169.1 3.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.091 -0.504 . . . . 10.0 111.258 -179.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 138.08 -176.57 20.63 Favored Glycine 0 N--CA 1.444 -0.816 0 N-CA-C 110.941 -0.864 . . . . 10.0 110.941 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.45 168.26 17.63 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.754 0.277 . . . . 10.0 110.681 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -80.18 152.59 29.1 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.036 0.446 . . . . 10.0 111.333 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 75.86 11.65 84.48 Favored Glycine 0 CA--C 1.519 0.341 0 CA-C-N 115.729 -0.669 . . . . 10.0 113.805 179.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 33.3 m -84.33 -17.09 10.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 117.228 0.514 . . . . 10.0 111.731 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 97.83 21.51 18.46 Favored Glycine 0 N--CA 1.448 -0.528 0 CA-C-N 115.936 -0.575 . . . . 10.0 111.802 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 10.6 ptmm? -66.23 -38.64 88.41 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.728 -0.236 . . . . 10.0 111.197 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' SER . . . . . 0.459 ' OG ' ' O3G' ' B' ' 201' ' ' GSP . 0.3 OUTLIER -70.18 -38.95 75.48 Favored 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 109.236 -0.653 . . . . 10.0 109.236 179.493 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.47 -45.09 94.97 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.381 -0.827 . . . . 10.0 109.896 179.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 36.4 mt -60.03 -43.97 94.95 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.17 179.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 21.8 m -63.9 -51.15 65.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.841 179.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 85.4 mt -62.22 -33.5 59.1 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-N 116.484 -0.325 . . . . 10.0 111.535 -179.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -63.39 -30.52 71.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.475 -0.33 . . . . 10.0 111.758 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 6.2 tp -92.69 -39.19 11.41 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.121 0.486 . . . . 10.0 111.195 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 49.3 mm -70.88 -51.61 34.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.95 -0.568 . . . . 10.0 112.385 -179.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -105.4 -9.53 17.5 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.862 0.69 . . . . 10.0 112.862 -178.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 68.93 33.81 3.4 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 113.354 0.872 . . . . 10.0 113.354 178.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 16.8 p80 -145.89 155.07 42.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.625 0.25 . . . . 10.0 111.158 178.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -105.12 135.95 45.52 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.055 0.455 . . . . 10.0 111.831 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 1.6 m -101.22 114.89 41.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.828 -0.624 . . . . 10.0 110.241 178.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -76.0 -30.56 58.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.993 -179.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -78.51 155.68 29.66 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.374 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -88.82 133.59 34.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.474 -0.33 . . . . 10.0 110.372 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -126.5 109.88 23.24 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-O 120.636 0.255 . . . . 10.0 111.528 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo -66.94 118.73 5.79 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.881 2.387 . . . . 10.0 111.262 179.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' THR . . . . . 0.511 ' OG1' ' O3G' ' B' ' 201' ' ' GSP . 88.9 m -94.05 142.28 27.57 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.897 -0.592 . . . . 10.0 111.765 -178.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 48.1 mm -105.84 -45.29 8.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 107.915 -1.143 . . . . 10.0 107.915 178.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -178.33 99.17 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 114.719 -1.128 . . . . 10.0 108.438 179.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -112.73 128.04 56.3 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 111.983 0.364 . . . . 10.0 111.983 -178.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -125.5 116.62 22.08 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.144 178.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -119.51 147.15 44.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.421 -0.354 . . . . 10.0 111.464 -179.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 2.3 mpp_? -109.5 135.02 51.19 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.731 0.3 . . . . 10.0 111.048 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 37.5 tptt -139.05 118.94 13.25 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.338 179.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -108.26 113.94 27.43 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.883 0.373 . . . . 10.0 110.588 178.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 3.9 m -135.43 176.52 8.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.766 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 22.0 t -101.49 95.43 3.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.24 -0.436 . . . . 10.0 109.839 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 46.6 mt -97.23 116.39 39.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.876 -179.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 62.74 15.86 8.49 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.176 -0.92 . . . . 10.0 111.928 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.16 -7.85 54.96 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.641 -0.79 . . . . 10.0 111.863 -179.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -106.17 121.84 44.98 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.708 0.289 . . . . 10.0 110.503 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.51 122.12 17.31 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.959 -0.756 . . . . 10.0 108.959 178.646 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 11.6 m -126.94 136.36 52.17 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.34 0.496 . . . . 10.0 112.34 -178.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 55.2 tp -98.46 101.87 13.44 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 107.751 -1.203 . . . . 10.0 107.751 177.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 29.4 mt -92.31 126.83 37.56 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 112.799 0.666 . . . . 10.0 112.799 -177.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -105.49 99.41 9.02 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 107.18 -1.415 . . . . 10.0 107.18 176.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 4.2 mp -90.58 119.96 38.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.977 -0.556 . . . . 10.0 111.537 -178.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 52.8 tp -108.44 117.21 33.56 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.623 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . 0.486 ' OD2' ' O3G' ' B' ' 201' ' ' GSP . 16.3 t70 -103.64 112.14 24.93 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.028 -0.533 . . . . 10.0 111.418 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -111.99 139.24 47.66 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.809 -0.812 . . . . 10.0 108.809 178.125 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -76.15 135.32 39.8 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.077 0.465 . . . . 10.0 111.595 -178.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -94.24 56.09 2.09 Favored Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 110.857 -0.897 . . . . 10.0 110.857 179.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -96.0 16.19 18.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.753 -0.223 . . . . 10.0 111.501 -178.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 64.34 -175.27 0.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.88 -0.6 . . . . 10.0 111.331 179.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 71.35 -9.05 0.94 Allowed 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.84 0.681 . . . . 10.0 112.84 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -95.04 45.8 1.11 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.858 0.361 . . . . 10.0 111.099 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.89 -36.37 81.09 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.041 -0.527 . . . . 10.0 111.644 -179.703 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.33 -32.45 18.41 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 121.077 -0.249 . . . . 10.0 111.322 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 27.6 ttt -71.53 -33.78 69.47 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.21 -0.45 . . . . 10.0 111.478 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -59.05 -39.05 80.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.788 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.73 -25.13 67.8 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.371 -0.831 . . . . 10.0 111.777 -179.116 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -69.71 -71.13 0.24 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.983 0.734 . . . . 10.0 112.983 -178.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 51.8 p90 -62.67 -28.73 70.13 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 113.922 1.082 . . . . 10.0 113.922 -177.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 49.8 mtt -69.61 -25.76 64.11 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.006 0.431 . . . . 10.0 111.795 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 16.1 ttm180 -74.68 -37.71 62.6 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.748 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.07 -32.47 22.82 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.205 0.446 . . . . 10.0 112.205 -179.253 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.71 136.0 49.15 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 121.221 -0.514 . . . . 10.0 113.342 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -96.34 -50.46 4.77 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.25 -0.648 . . . . 10.0 109.25 179.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -112.05 136.5 13.57 Favored Glycine 0 N--CA 1.446 -0.648 0 N-CA-C 110.927 -0.869 . . . . 10.0 110.927 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -116.56 130.95 57.04 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.278 0.561 . . . . 10.0 112.125 -178.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 12.5 tp -106.36 100.36 9.9 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.459 -0.791 . . . . 10.0 109.254 179.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 3.7 m -80.35 93.17 5.9 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.253 -0.431 . . . . 10.0 110.641 -179.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 52.5 t -95.45 126.72 47.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.008 -0.542 . . . . 10.0 111.512 -178.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 24.3 p90 -137.12 149.03 47.06 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.676 -0.693 . . . . 10.0 109.827 179.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -88.27 126.24 35.07 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.02 -0.733 . . . . 10.0 109.02 179.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 20.0 pt -71.09 -6.35 7.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 112.546 0.572 . . . . 10.0 112.546 -179.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -97.65 2.77 50.19 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.163 0.506 . . . . 10.0 110.112 178.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 38.9 t-20 -135.54 107.53 7.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.681 -0.69 . . . . 10.0 110.019 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -61.07 -33.01 72.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.882 -0.599 . . . . 10.0 112.067 -179.506 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -56.89 -43.76 81.65 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.969 0.359 . . . . 10.0 111.969 -179.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.89 -34.31 77.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.864 0.364 . . . . 10.0 110.829 179.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -72.31 -41.52 66.49 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.514 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -67.4 -33.84 76.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.014 -0.539 . . . . 10.0 110.742 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.74 -16.49 63.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.836 -0.62 . . . . 10.0 112.118 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 34.1 mm -59.5 -43.31 90.42 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-O 120.807 0.337 . . . . 10.0 110.971 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 35.2 t60 -68.9 -35.52 76.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.444 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -65.67 -47.45 75.46 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.703 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -64.58 -30.85 71.88 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.595 179.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 42.8 ttt-85 -63.78 -49.19 73.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.846 -0.615 . . . . 10.0 110.295 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -60.8 -37.4 81.82 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.892 -0.595 . . . . 10.0 110.26 179.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 36.4 tp60 -59.21 -55.11 39.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.44 -0.8 . . . . 10.0 110.273 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 56.4 mt -57.66 -41.06 78.49 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 CA-C-N 116.205 -0.452 . . . . 10.0 111.49 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? -61.7 -31.47 71.61 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.992 -0.549 . . . . 10.0 112.231 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? -89.13 -35.37 16.31 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.719 0.295 . . . . 10.0 111.081 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 70.1 t -64.41 -49.01 82.77 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-N 116.434 -0.348 . . . . 10.0 111.717 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -90.1 -12.37 38.55 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.49 -0.323 . . . . 10.0 111.638 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 37.4 t70 58.82 56.27 4.19 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.786 0.803 . . . . 10.0 111.168 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 41.2 t -153.71 146.39 24.22 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.554 -0.748 . . . . 10.0 110.055 -179.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -96.59 -3.74 42.42 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.174 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -127.9 107.49 9.9 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.994 -0.548 . . . . 10.0 111.03 -179.688 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 66.2 t -142.56 131.75 11.93 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.162 -0.472 . . . . 10.0 109.75 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -59.85 106.78 0.35 Allowed 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.823 2.349 . . . . 10.0 111.639 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 58.5 mtm -136.65 141.27 43.18 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.065 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 79.4 t -124.27 133.78 68.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.103 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 17.8 tp -85.77 112.58 21.2 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.42 -0.585 . . . . 10.0 109.42 179.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 53.5 t -112.78 114.97 48.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 112.365 0.506 . . . . 10.0 112.365 -178.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -98.26 111.56 4.27 Favored Glycine 0 N--CA 1.448 -0.561 0 N-CA-C 110.084 -1.206 . . . . 10.0 110.084 178.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -97.07 166.03 11.78 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.842 0.321 . . . . 10.0 111.685 -178.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 89.8 mttt 71.52 42.45 0.67 Allowed 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.568 -0.742 . . . . 10.0 112.79 179.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 65.5 m -75.61 -15.63 60.32 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.991 -0.55 . . . . 10.0 110.475 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -72.61 -33.65 66.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.088 178.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 75.7 mt -73.04 116.23 48.49 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.375 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -72.7 175.15 10.67 Favored 'Trans proline' 0 C--O 1.235 0.356 0 C-N-CA 122.694 2.263 . . . . 10.0 112.19 -179.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 5.5 m 60.5 39.94 17.61 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.958 -0.564 . . . . 10.0 110.817 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 10.2 ptt180 -65.61 138.19 57.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.616 -0.72 . . . . 10.0 111.937 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.71 -37.62 35.25 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.935 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 57.5 t -90.38 113.59 26.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.131 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.18 147.32 42.68 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.607 -179.689 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 3.9 m -62.5 -45.84 91.18 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.255 -0.429 . . . . 10.0 112.109 -178.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 18.5 pttm -63.58 -39.36 94.19 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.732 0.641 . . . . 10.0 112.732 -178.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -68.93 -28.5 66.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.801 0.334 . . . . 10.0 111.433 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -82.15 -39.05 23.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.956 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -69.91 -43.34 71.89 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.056 -0.52 . . . . 10.0 111.89 -179.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -63.92 -31.12 72.2 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.238 0.542 . . . . 10.0 110.592 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 14.1 tp -66.87 -42.59 85.37 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.801 -0.636 . . . . 10.0 109.356 178.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.38 -33.5 75.86 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.485 -0.78 . . . . 10.0 109.729 179.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 2.7 ttp180 -61.43 -40.37 94.19 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.732 -0.667 . . . . 10.0 110.026 178.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 32.6 t -70.63 -34.89 72.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.295 179.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 21.7 m-30 -72.12 -38.16 69.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.979 -0.555 . . . . 10.0 111.124 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 100.74 28.76 6.85 Favored Glycine 0 N--CA 1.449 -0.463 0 N-CA-C 111.104 -0.798 . . . . 10.0 111.104 -179.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 32.2 pt -129.27 163.9 43.05 Favored Pre-proline 0 C--O 1.234 0.271 0 CA-C-N 115.502 -0.349 . . . . 10.0 110.172 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -91.46 144.21 3.15 Favored 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 122.469 2.113 . . . . 10.0 112.667 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -112.16 133.25 54.41 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.194 -0.669 . . . . 10.0 109.194 178.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 57.1 mt -130.87 136.58 57.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.697 0.284 . . . . 10.0 111.222 -179.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -86.49 127.24 34.85 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 108.648 -0.871 . . . . 10.0 108.648 178.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 72.1 p -134.22 167.08 21.34 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.653 0.739 . . . . 10.0 112.213 -178.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -163.19 109.85 1.17 Allowed 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.97 -1.013 . . . . 10.0 108.454 177.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -63.82 -35.9 82.14 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.021 -0.536 . . . . 10.0 111.137 -178.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -63.09 -32.7 74.14 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.272 -0.422 . . . . 10.0 111.792 -179.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 1.1 m -101.43 -6.16 24.37 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.966 0.358 . . . . 10.0 111.966 -179.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 12.8 tpt180 61.91 34.96 16.59 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 122.131 0.967 . . . . 10.0 110.171 -179.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -107.17 132.93 52.49 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.872 -0.604 . . . . 10.0 111.069 -179.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 79.16 -5.61 58.89 Favored Glycine 0 N--CA 1.452 -0.261 0 CA-C-N 115.955 -0.566 . . . . 10.0 113.721 178.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 28.8 t -61.14 -55.75 22.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.903 0.382 . . . . 10.0 110.829 -179.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -64.15 -35.57 81.2 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.998 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -63.03 -53.26 56.59 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.995 -0.548 . . . . 10.0 111.514 -179.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -57.69 -46.79 83.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.943 -0.571 . . . . 10.0 112.036 -179.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -62.65 -47.9 81.68 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 112.198 0.444 . . . . 10.0 112.198 -179.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -63.69 -46.64 84.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.056 0.455 . . . . 10.0 111.113 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 91.1 m -59.63 -38.28 80.9 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 113.073 0.768 . . . . 10.0 113.073 -179.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 24.0 tp -60.93 -37.08 81.04 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.948 0.404 . . . . 10.0 110.913 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 49.0 t -69.26 -35.62 68.64 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 CA-C-N 115.898 -0.592 . . . . 10.0 109.837 179.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -62.3 -40.23 95.61 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.903 -0.59 . . . . 10.0 110.509 179.183 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -67.08 -34.22 77.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.047 -0.524 . . . . 10.0 111.18 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 73.9 mt -64.68 -46.17 93.12 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.154 0 N-CA-C 109.692 -0.484 . . . . 10.0 109.692 179.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 49.9 mtt85 -64.55 -40.02 94.82 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.466 -0.568 . . . . 10.0 109.466 178.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -60.41 -42.09 95.25 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.11 -0.95 . . . . 10.0 110.776 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 48.7 t-80 -58.88 -46.75 87.09 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.901 0.381 . . . . 10.0 110.906 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -64.19 -35.12 79.75 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.36 -0.382 . . . . 10.0 111.204 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -70.7 -43.72 68.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.28 0.562 . . . . 10.0 109.601 178.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -65.83 -30.4 71.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.363 -0.835 . . . . 10.0 111.073 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 9.3 mmt -68.49 -38.6 81.12 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.922 0.392 . . . . 10.0 111.097 179.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 36.9 m -72.59 -21.58 61.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.066 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 32.6 mtpt -96.06 -23.82 16.61 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.517 -0.31 . . . . 10.0 111.288 179.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 173' ' ' ASP . . . . . . . . . . . . . 20.4 t70 67.05 -75.71 0.06 Allowed 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.468 0.707 . . . . 10.0 111.705 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . -165.71 -71.97 0.03 OUTLIER Glycine 0 N--CA 1.443 -0.856 0 N-CA-C 110.446 -1.062 . . . . 10.0 110.446 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 175' ' ' LYS . . . . . 0.44 ' NZ ' ' O4 ' ' C' ' 215' ' ' 17F . 99.7 mttt -140.93 154.8 46.26 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.444 -0.576 . . . . 10.0 109.444 179.384 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 176' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp 63.22 85.07 0.14 Allowed 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 113.562 0.949 . . . . 10.0 113.562 178.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 177' ' ' LYS . . . . . . . . . . . . . 42.3 mmtt -137.57 -123.36 0.14 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.285 -0.416 . . . . 10.0 111.327 178.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 19.0 mtmt 65.98 35.57 6.35 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 121.136 0.493 . . . . 10.0 110.618 -179.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 179' ' ' LYS . . . . . . . . . . . . . 7.0 ttmm -69.35 112.78 6.12 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.404 -0.816 . . . . 10.0 112.414 -178.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -163.69 104.17 0.93 Allowed 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.746 0.308 . . . . 10.0 111.296 178.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.84 163.17 33.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.333 -0.394 . . . . 10.0 110.965 179.121 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -145.55 123.9 12.32 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.377 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.23 -57.43 2.12 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.838 0.351 . . . . 10.0 110.456 179.146 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 184' ' ' LYS . . . . . . . . . . . . . 98.5 mttt . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.038 -0.528 . . . . 10.0 111.067 -179.734 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 13.9 m . . . . . 0 CA--C 1.531 0.214 0 CA-C-O 120.635 0.255 . . . . 10.0 111.126 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 2.2 m -78.11 128.74 34.27 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 110.117 -0.327 . . . . 10.0 110.117 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -87.96 143.11 27.28 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.38 -0.373 . . . . 10.0 111.379 -179.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -137.09 106.68 6.15 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.514 -0.551 . . . . 10.0 109.514 179.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -88.46 113.22 23.82 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.887 0.375 . . . . 10.0 110.316 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -120.2 126.8 51.53 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.296 -0.411 . . . . 10.0 111.089 -177.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 97.9 t -107.19 124.43 63.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 109.649 -0.5 . . . . 10.0 109.649 179.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 2.9 t -89.32 118.76 35.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.172 0.51 . . . . 10.0 109.687 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 16.2 m -117.39 159.41 17.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.305 -0.407 . . . . 10.0 111.302 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.62 177.27 34.55 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 110.843 -0.903 . . . . 10.0 110.843 -179.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.01 -168.15 1.69 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.905 0.383 . . . . 10.0 111.492 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -81.4 132.81 35.34 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.256 0.55 . . . . 10.0 112.457 -179.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 65.13 35.24 91.49 Favored Glycine 0 CA--C 1.517 0.194 0 CA-C-N 115.446 -0.797 . . . . 10.0 114.657 178.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 29.6 m -93.2 -8.35 10.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 120.871 0.367 . . . . 10.0 111.686 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 93.65 23.01 24.73 Favored Glycine 0 N--CA 1.452 -0.248 0 N-CA-C 110.929 -0.868 . . . . 10.0 110.929 -178.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -60.72 -36.83 79.84 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.073 -0.564 . . . . 10.0 110.897 -179.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 17' ' ' SER . . . . . 0.471 ' OG ' ' O3G' ' C' ' 201' ' ' GSP . 31.2 m -91.79 -33.02 15.15 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.211 -0.449 . . . . 10.0 111.364 -179.413 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.15 -46.68 85.26 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.639 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 32.2 mt -65.04 -47.41 77.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.695 179.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 23.6 m -58.8 -45.33 90.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.991 -0.55 . . . . 10.0 111.979 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 91.9 mt -65.12 -32.21 57.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.818 0.342 . . . . 10.0 110.874 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -68.52 -21.06 64.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.444 -0.344 . . . . 10.0 111.417 179.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 4.5 tp -92.72 -36.31 12.99 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.149 0.5 . . . . 10.0 110.417 179.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 50.2 mm -82.58 -68.9 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.073 -0.512 . . . . 10.0 111.36 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 -78.18 -25.9 47.36 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.064 -0.516 . . . . 10.0 111.251 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 48.2 m-80 73.88 38.47 0.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.33 -0.85 . . . . 10.0 112.895 179.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 23.9 p80 -148.07 154.25 39.97 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.123 -0.49 . . . . 10.0 110.306 178.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -95.72 134.31 38.8 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.999 0.428 . . . . 10.0 111.609 -178.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 2.5 m -102.51 113.79 40.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.842 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -81.85 -18.61 43.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.109 0.48 . . . . 10.0 110.572 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -83.92 125.91 32.48 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.823 -0.626 . . . . 10.0 109.527 179.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -66.44 118.87 10.69 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.255 0.55 . . . . 10.0 111.419 -179.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -115.81 105.91 50.76 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.818 -0.628 . . . . 10.0 109.699 179.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -76.28 62.3 6.84 Favored 'Trans proline' 0 CA--C 1.532 0.398 0 C-N-CA 122.959 2.439 . . . . 10.0 112.446 -179.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.88 124.79 21.01 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.907 -0.588 . . . . 10.0 111.037 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 38.1 mm -82.35 -53.05 12.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 123.455 0.472 . . . . 10.0 110.394 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -154.15 99.44 2.23 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.885 -0.598 . . . . 10.0 110.402 -179.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -118.77 141.15 48.89 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.444 -0.344 . . . . 10.0 110.658 -179.403 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.91 131.67 56.06 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.888 0.375 . . . . 10.0 110.986 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -129.5 138.87 51.62 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.316 -0.402 . . . . 10.0 111.119 -179.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -116.16 143.17 45.85 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.529 -0.305 . . . . 10.0 110.461 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 52.0 tttp -152.28 132.23 13.37 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-O 121.007 0.432 . . . . 10.0 110.97 179.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -101.47 111.95 24.35 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.987 -0.746 . . . . 10.0 108.987 179.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 3.7 m -132.23 165.7 31.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.9 0.381 . . . . 10.0 111.245 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 93.6 t -103.04 111.68 33.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 109.547 -0.538 . . . . 10.0 109.547 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 24.1 mt -119.97 120.76 64.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.491 -0.322 . . . . 10.0 110.938 -179.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 62.7 23.57 14.04 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.575 -0.739 . . . . 10.0 112.325 179.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.52 8.38 64.1 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.989 -0.624 . . . . 10.0 113.065 179.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -121.66 140.65 52.01 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 110.292 -0.262 . . . . 10.0 110.292 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 56.1 m -78.9 112.73 16.36 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 107.999 -1.111 . . . . 10.0 107.999 178.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 12.8 m -108.62 135.79 49.28 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 112.767 0.655 . . . . 10.0 112.767 -177.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 29.8 tp -99.38 101.88 13.29 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.382 -0.97 . . . . 10.0 108.382 178.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 49.2 mt -83.48 122.35 28.42 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 112.678 0.621 . . . . 10.0 112.678 -178.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -107.85 86.62 2.33 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.077 -1.453 . . . . 10.0 107.077 177.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 9.5 mt -85.81 138.36 19.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.809 -0.632 . . . . 10.0 111.97 -176.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 36.3 tp -127.8 112.94 15.33 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.763 179.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -93.8 112.22 24.04 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.07 -0.715 . . . . 10.0 109.07 179.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 33.9 p -102.36 174.25 5.99 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.369 -0.378 . . . . 10.0 111.721 -178.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -96.17 135.49 37.9 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.25 0.548 . . . . 10.0 110.703 179.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -106.54 35.77 4.83 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.73 -0.748 . . . . 10.0 111.875 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -97.92 18.16 16.54 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 111.7 0.259 . . . . 10.0 111.7 -179.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 62.59 -172.26 0.16 Allowed 'General case' 0 CA--C 1.532 0.256 0 O-C-N 123.25 0.344 . . . . 10.0 111.109 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 73.87 2.8 4.31 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 122.963 0.505 . . . . 10.0 111.72 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -112.63 47.23 1.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.186 0.517 . . . . 10.0 111.123 -179.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -44.05 97.84 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.583 -0.735 . . . . 10.0 111.436 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -82.09 -36.45 27.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.21 0.529 . . . . 10.0 110.186 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 19.3 ttt -61.28 -33.91 74.32 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.802 -0.635 . . . . 10.0 110.368 179.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 68' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 -60.19 -48.02 83.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.163 -0.471 . . . . 10.0 110.429 179.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.62 -37.52 78.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.859 179.469 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -54.65 -45.3 73.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.182 -0.917 . . . . 10.0 112.545 -179.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 71' ' ' TYR . . . . . . . . . . . . . 15.5 p90 -91.89 -23.18 19.72 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 113.228 0.825 . . . . 10.0 113.228 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 44.6 mtt -64.3 -27.68 69.2 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.334 0.588 . . . . 10.0 111.459 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 32.2 mtm105 -79.95 -14.8 58.33 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.869 -0.605 . . . . 10.0 112.255 -179.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 1.8 m -107.0 -41.41 5.18 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.079 0.4 . . . . 10.0 112.079 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -58.46 116.15 8.11 Favored Glycine 0 C--N 1.329 0.184 0 C-N-CA 121.293 -0.48 . . . . 10.0 113.132 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -73.99 -42.88 59.75 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.889 -0.412 . . . . 10.0 109.889 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -122.65 143.58 15.43 Favored Glycine 0 N--CA 1.445 -0.715 0 N-CA-C 110.534 -1.027 . . . . 10.0 110.534 179.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 78' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -118.41 126.33 51.84 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 117.195 0.497 . . . . 10.0 111.863 -178.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 11.1 tp -97.53 106.38 18.69 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.812 -0.631 . . . . 10.0 109.694 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 4.2 m -83.43 88.32 6.99 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.031 0.443 . . . . 10.0 111.02 -179.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 99.0 t -95.92 128.93 46.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.02 -0.536 . . . . 10.0 110.979 -179.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 39.3 p90 -138.9 169.62 17.45 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.217 -0.66 . . . . 10.0 109.217 179.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -106.9 133.92 50.83 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 110.076 -0.342 . . . . 10.0 110.076 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 84' ' ' ILE . . . . . . . . . . . . . 12.5 pt -66.94 -15.36 19.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 111.819 0.303 . . . . 10.0 111.819 -179.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 9.8 p-10 -103.04 9.17 38.69 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.151 0.501 . . . . 10.0 110.103 179.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 53.5 t-20 -127.97 97.24 4.73 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.455 -0.793 . . . . 10.0 109.588 179.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 1.4 m -63.9 -35.93 82.28 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.933 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 23.4 tptp -60.69 -37.23 80.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.88 0.371 . . . . 10.0 111.301 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 95.1 p -68.16 -28.4 67.26 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.681 -0.408 . . . . 10.0 110.482 179.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -76.97 -35.58 57.11 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 109.064 -0.717 . . . . 10.0 109.064 178.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -68.77 -37.11 79.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.657 -0.701 . . . . 10.0 110.23 178.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.97 -17.71 65.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.593 -0.73 . . . . 10.0 112.063 -179.08 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 49.0 mm -57.95 -42.18 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 N-CA-C 109.75 -0.463 . . . . 10.0 109.75 179.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 4.1 t-160 -65.72 -46.05 80.42 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.61 -0.723 . . . . 10.0 109.441 179.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -60.07 -44.06 95.0 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.539 -0.755 . . . . 10.0 111.732 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -65.52 -50.06 66.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.359 -0.382 . . . . 10.0 111.409 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -56.12 -48.63 75.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.273 -0.421 . . . . 10.0 111.574 -179.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -61.09 -30.83 70.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.213 -0.449 . . . . 10.0 112.191 -179.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -75.15 -42.48 55.99 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.027 -0.36 . . . . 10.0 110.027 179.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 81.2 mt -57.04 -47.39 83.68 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.214 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -56.35 -39.66 73.21 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.747 -0.66 . . . . 10.0 112.085 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -77.5 -46.94 20.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.656 0.265 . . . . 10.0 111.71 -179.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 68.9 t -63.58 -44.54 98.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.793 0.33 . . . . 10.0 111.601 -179.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 15.8 tttp -82.36 -10.78 58.94 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.537 -0.301 . . . . 10.0 110.988 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 12.2 t70 56.03 50.52 13.59 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.546 -0.752 . . . . 10.0 111.355 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 9.6 t -149.99 157.08 42.79 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 116.143 -0.48 . . . . 10.0 110.925 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -95.18 -29.42 14.54 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.728 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -114.61 111.37 21.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.96 0.409 . . . . 10.0 110.747 -178.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 59.9 t -127.94 134.66 26.46 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 115.965 -0.561 . . . . 10.0 109.661 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -61.89 108.5 0.66 Allowed 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.868 2.379 . . . . 10.0 111.654 179.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 111' ' ' MET . . . . . . . . . . . . . 32.3 mtm -138.25 152.19 48.34 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.397 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 69.0 t -134.49 128.01 50.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.374 -0.602 . . . . 10.0 109.374 178.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 15.5 tp -83.8 114.22 21.47 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.404 -0.591 . . . . 10.0 109.404 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 60.5 t -117.58 117.84 56.44 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.475 0 CA-C-N 116.136 -0.483 . . . . 10.0 111.207 -178.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -98.85 118.22 6.1 Favored Glycine 0 N--CA 1.448 -0.561 0 N-CA-C 110.516 -1.033 . . . . 10.0 110.516 178.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -100.84 167.48 10.26 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.971 0.385 . . . . 10.0 111.5 -178.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 83.6 mttt 64.48 26.8 13.47 Favored 'General case' 0 N--CA 1.461 0.097 0 CA-C-N 115.741 -0.663 . . . . 10.0 111.35 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 118' ' ' CYS . . . . . . . . . . . . . 59.4 m -64.36 -18.02 64.27 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.952 0.723 . . . . 10.0 112.952 -179.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -90.32 2.08 55.89 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.789 0.328 . . . . 10.0 111.804 -179.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 17.1 mt -81.58 140.98 48.12 Favored Pre-proline 0 C--O 1.236 0.37 0 CA-C-N 116.383 -0.371 . . . . 10.0 110.459 179.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -66.85 138.41 48.41 Favored 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 122.788 2.325 . . . . 10.0 113.158 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 55.4 m 60.88 92.13 0.05 Allowed 'General case' 0 C--O 1.234 0.265 0 N-CA-C 113.637 0.977 . . . . 10.0 113.637 178.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 -89.34 147.2 24.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.013 179.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 7.9 p -94.6 -30.31 14.42 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.838 0.351 . . . . 10.0 110.16 178.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 64.4 t -95.43 120.55 44.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.115 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.94 140.88 47.74 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.185 179.629 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 1.8 m -63.24 -35.27 79.79 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.749 0.309 . . . . 10.0 110.467 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 43.1 mtmt -54.86 -54.73 38.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.765 -0.652 . . . . 10.0 111.638 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -62.41 -35.2 78.47 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 120.882 0.372 . . . . 10.0 111.826 -179.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.4 -41.26 85.21 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.038 0.447 . . . . 10.0 110.271 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -70.83 -39.02 73.25 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.861 -0.608 . . . . 10.0 110.028 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -63.87 -45.3 90.07 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.578 -0.737 . . . . 10.0 110.81 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 37.0 tp -59.83 -44.25 94.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.299 179.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.27 -37.07 85.79 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.762 -0.654 . . . . 10.0 110.215 179.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -61.71 -45.87 92.09 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.762 -0.653 . . . . 10.0 111.155 179.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 14.7 m -69.08 -35.9 77.03 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.124 -0.489 . . . . 10.0 111.509 -179.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -78.28 -18.33 55.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.438 -0.346 . . . . 10.0 111.563 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 78.87 21.43 68.46 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 121.027 -0.606 . . . . 10.0 112.157 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 44.9 pt -115.59 154.9 47.89 Favored Pre-proline 0 C--N 1.324 -0.518 0 N-CA-C 110.394 -0.225 . . . . 10.0 110.394 -179.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -77.62 148.29 25.81 Favored 'Trans proline' 0 C--O 1.233 0.267 0 C-N-CA 122.572 2.182 . . . . 10.0 113.122 -179.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -120.7 127.66 52.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.709 -0.678 . . . . 10.0 109.641 178.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 54.3 mt -130.96 130.97 64.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.864 0.364 . . . . 10.0 111.305 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -84.41 131.01 34.72 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.418 -0.956 . . . . 10.0 108.418 177.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 43.7 p -133.14 172.57 12.48 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.685 0.755 . . . . 10.0 112.35 -178.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 10.0 t -153.39 116.56 4.59 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.002 -0.999 . . . . 10.0 108.341 178.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 146' ' ' ALA . . . . . 0.426 ' N ' ' O6 ' ' C' ' 201' ' ' GSP . . . -76.13 -29.99 58.04 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.236 -0.653 . . . . 10.0 109.236 179.505 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 75.7 tttt -65.12 -44.07 89.94 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 114.792 -1.095 . . . . 10.0 111.64 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.46 -0.97 34.29 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.062 0.393 . . . . 10.0 112.062 -179.053 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 20.4 ttt-85 56.71 49.23 14.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.283 0.563 . . . . 10.0 112.118 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -115.26 128.78 56.36 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.582 -0.735 . . . . 10.0 110.652 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 86.21 -1.1 87.59 Favored Glycine 0 CA--C 1.516 0.12 0 CA-C-N 116.042 -0.526 . . . . 10.0 113.55 178.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 3.2 t -63.43 -56.81 14.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.887 0.375 . . . . 10.0 111.306 -178.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -60.08 -41.99 93.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.645 -0.707 . . . . 10.0 110.312 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -62.09 -47.35 85.02 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.976 -0.556 . . . . 10.0 112.163 -179.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -57.0 -53.91 52.7 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.284 -0.416 . . . . 10.0 111.648 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -62.08 -43.8 98.06 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.088 -0.505 . . . . 10.0 111.78 -179.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -63.84 -44.12 94.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.963 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 55.5 m -60.08 -39.18 85.19 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.614 0.598 . . . . 10.0 112.614 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 44.7 tp -58.47 -35.26 71.91 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.898 0.38 . . . . 10.0 110.704 179.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 62.2 t -64.61 -39.02 84.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.145 179.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.27 -39.98 94.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.95 -0.568 . . . . 10.0 109.96 179.04 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 162' ' ' GLU . . . . . 0.455 ' CD ' ' HZ2' ' C' ' 165' ' ' LYS . 17.1 mm-40 -68.26 -31.16 70.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.676 -0.693 . . . . 10.0 111.147 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 95.6 mt -67.1 -44.86 87.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 N-CA-C 109.534 -0.543 . . . . 10.0 109.534 178.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 37.5 mtt85 -67.53 -38.45 84.25 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.561 -0.533 . . . . 10.0 109.561 178.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 165' ' ' LYS . . . . . 0.455 ' HZ2' ' CD ' ' C' ' 162' ' ' GLU . 35.1 ttmt -59.57 -38.81 82.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.268 -0.878 . . . . 10.0 109.771 179.293 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -65.01 -47.96 75.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.323 -0.853 . . . . 10.0 110.418 179.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -61.37 -41.96 97.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.944 -0.571 . . . . 10.0 111.036 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -65.41 -46.5 79.77 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.0 -0.545 . . . . 10.0 110.527 179.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 21.7 tttt -62.97 -39.31 94.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.109 -0.496 . . . . 10.0 111.022 -179.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 62.9 mmm -72.26 -30.44 64.85 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.359 -0.382 . . . . 10.0 111.756 -179.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 75.4 m -65.96 -23.27 66.56 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.339 0.496 . . . . 10.0 112.339 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 59.8 mtpt -117.86 -4.96 11.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.409 -0.359 . . . . 10.0 110.778 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 173' ' ' ASP . . . . . . . . . . . . . 19.1 t70 51.84 51.51 16.4 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.722 0.772 . . . . 10.0 110.745 -178.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . 77.65 -93.39 1.14 Allowed Glycine 0 N--CA 1.443 -0.861 0 CA-C-N 115.067 -0.97 . . . . 10.0 110.914 -178.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 175' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -128.56 27.92 5.48 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 111.744 0.276 . . . . 10.0 111.744 179.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 176' ' ' LYS . . . . . 0.526 ' HZ2' ' C3 ' ' C' ' 215' ' ' 17F . 12.3 ttmm -83.64 38.63 0.64 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.38 0.61 . . . . 10.0 111.058 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 177' ' ' LYS . . . . . . . . . . . . . 23.1 mmtm -145.49 24.7 1.39 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.377 0.608 . . . . 10.0 110.664 179.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 178' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -87.17 61.0 6.48 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.045 -0.525 . . . . 10.0 111.762 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 179' ' ' LYS . . . . . . . . . . . . . 8.0 mmmt -119.22 72.95 0.92 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.637 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 180' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -88.69 118.77 28.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.591 -0.277 . . . . 10.0 110.609 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 68.9 m -145.16 -11.59 0.55 Allowed 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.765 0.654 . . . . 10.0 112.765 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 182' ' ' LYS . . . . . . . . . . . . . 12.5 ttmm -170.25 122.48 0.66 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.509 0.195 . . . . 10.0 110.592 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 6.1 m -83.66 -54.72 4.72 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.839 0.352 . . . . 10.0 110.866 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 184' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.47 -0.332 . . . . 10.0 110.503 -179.218 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 401' ' ' PCW . . . . . 0.651 ' C6 ' ' O31' ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 402' ' ' PCW . . . . . 0.705 ' C35' ' O31' ' A' ' 402' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 403' ' ' PCW . . . . . 0.78 ' C31' ' C36' ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 404' ' ' PCW . . . . . 0.546 ' C22' ' C18' ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 405' ' ' PCW . . . . . 0.409 ' O3 ' ' C31' ' A' ' 405' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 406' ' ' PCW . . . . . 0.486 ' O3P' ' O31' ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 407' ' ' PCW . . . . . 0.625 ' O3P' ' O31' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 408' ' ' PCW . . . . . 0.557 ' O4P' ' C6 ' ' A' ' 408' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 409' ' ' PCW . . . . . 0.785 ' C14' ' C19' ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 410' ' ' PCW . . . . . 0.558 ' C7 ' ' O2P' ' A' ' 402' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 411' ' ' PCW . . . . . 0.502 ' C11' ' O31' ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 412' ' ' PCW . . . . . 0.484 ' O31' ' O3 ' ' A' ' 412' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 413' ' ' PCW . . . . . 0.505 ' C3 ' ' C3 ' ' A' ' 408' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 414' ' ' PCW . . . . . 0.62 ' C47' ' C43' ' A' ' 414' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 415' ' ' 17F . . . . . 0.614 ' C2 ' ' O1 ' ' A' ' 415' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 416' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 417' ' ' PCW . . . . . 0.495 ' O31' ' O3P' ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 418' ' ' PCW . . . . . 0.613 ' C6 ' ' O4P' ' A' ' 418' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 419' ' ' PCW . . . . . 0.485 ' C40' ' C44' ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 420' ' ' PCW . . . . . 0.515 ' C31' ' O3 ' ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 421' ' ' PCW . . . . . 0.473 ' P ' ' C5 ' ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 422' ' ' 17F . . . . . 0.544 ' O10' ' O7 ' ' A' ' 422' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 601' ' ' PCW . . . . . 0.62 ' C42' ' C46' ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 602' ' ' PCW . . . . . 0.547 ' C21' ' C17' ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 603' ' ' PCW . . . . . 0.608 ' O2 ' ' O1P' ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 604' ' ' PCW . . . . . 0.683 ' C11' ' C31' ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 605' ' ' PCW . . . . . 0.629 ' O31' ' P ' ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 606' ' ' PCW . . . . . 0.617 ' C14' ' C18' ' D' ' 606' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 607' ' ' PCW . . . . . 0.556 ' C11' ' O31' ' D' ' 607' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 608' ' ' PCW . . . . . 0.441 ' O1P' ' C22' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 609' ' ' PCW . . . . . 0.593 ' O3 ' ' O31' ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 610' ' ' PCW . . . . . 0.627 ' C20' ' C24' ' D' ' 610' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 611' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 612' ' ' PCW . . . . . 0.514 ' O2P' ' C4 ' ' D' ' 620' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 613' ' ' PCW . . . . . 0.728 ' C21' ' C17' ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 614' ' ' PCW . . . . . 0.543 ' C3 ' ' O31' ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 615' ' ' PCW . . . . . 0.654 ' C46' ' C42' ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 616' ' ' PCW . . . . . 0.498 ' C31' ' O3 ' ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 617' ' ' PCW . . . . . 0.561 ' C39' ' C16' ' D' ' 619' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 618' ' ' PCW . . . . . 0.663 ' C23' ' C27' ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 619' ' ' PCW . . . . . 0.561 ' C16' ' C39' ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 620' ' ' PCW . . . . . 0.514 ' C4 ' ' O2P' ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 621' ' ' PCW . . . . . 0.499 ' O4P' ' C7 ' ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 622' ' ' PCW . . . . . 0.549 ' C19' ' O10' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 623' ' ' PCW . . . . . 0.743 ' C32' ' C36' ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 624' ' ' PCW . . . . . 0.634 ' C24' ' C20' ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 625' ' ' PCW . . . . . 0.625 ' O1P' ' C5 ' ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 626' ' ' PCW . . . . . 0.645 ' C23' ' C27' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 627' ' ' PCW . . . . . 0.623 ' C20' ' C35' ' C' ' 217' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 628' ' ' 17F . . . . . 0.658 ' C31' ' C19' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 629' ' ' 17F . . . . . 0.525 ' O10' ' O7 ' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 630' ' ' 17F . . . . . 0.514 ' O10' ' O6 ' ' D' ' 630' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 631' ' ' 17F . . . . . 0.593 ' O10' ' O7 ' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 632' ' ' 17F . . . . . 0.62 ' C37' ' C32' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 201' ' ' GSP . . . . . 0.596 ' O3G' 'MG ' ' B' ' 202' ' ' ' MG' . . . . . . . . 0 O4'--C1' 1.437 1.89 1 O4'-C1'-N19 113.165 4.965 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 202' ' ' ' MG' . . . . . 0.596 'MG ' ' O3G' ' B' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 203' ' ' PCW . . . . . 0.53 ' C11' ' O31' ' B' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 204' ' ' PCW . . . . . 0.616 ' C23' ' C27' ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 205' ' ' PCW . . . . . 0.629 ' C21' ' C25' ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 206' ' ' PCW . . . . . 0.658 ' C28' ' C24' ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 207' ' ' PCW . . . . . 0.651 ' O31' ' C6 ' ' A' ' 401' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 208' ' ' PCW . . . . . 0.691 ' C3 ' ' O2P' ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 209' ' ' 17F . . . . . 0.69 ' C31' ' C19' ' B' ' 209' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 211' ' ' 17F . . . . . 0.538 ' C6 ' ' O10' ' B' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 201' ' ' GSP . . . . . 0.625 ' O3G' 'MG ' ' C' ' 202' ' ' ' MG' . . . . . . . . 0 O4'--C1' 1.439 2.094 2 O4'-C1'-N19 112.663 4.463 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 202' ' ' ' MG' . . . . . 0.625 'MG ' ' O3G' ' C' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 203' ' ' PCW . . . . . 0.652 ' C21' ' C25' ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 204' ' ' PCW . . . . . 0.678 ' C42' ' C46' ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 205' ' ' PCW . . . . . 0.617 ' O1P' ' N1 ' ' C' ' 214' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 206' ' ' PCW . . . . . 0.661 ' C24' ' C28' ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 207' ' ' PCW . . . . . 0.583 ' O1P' ' C3 ' ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 208' ' ' PCW . . . . . 0.607 ' C27' ' C23' ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 209' ' ' PCW . . . . . 0.677 ' C22' ' C26' ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 210' ' ' PCW . . . . . 0.624 ' C26' ' C22' ' C' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 211' ' ' PCW . . . . . 0.53 ' O31' ' C7 ' ' B' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 212' ' ' PCW . . . . . 0.657 ' C20' ' C24' ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 213' ' ' 17F . . . . . 0.484 ' O10' ' C4 ' ' C' ' 213' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 214' ' ' 17F . . . . . 0.617 ' N1 ' ' O1P' ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 215' ' ' 17F . . . . . 0.73 ' HN1' ' C4 ' ' C' ' 215' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 216' ' ' PCW . . . . . 0.524 ' C4 ' ' O2P' ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 217' ' ' PCW . . . . . 0.623 ' C35' ' C20' ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 218' ' ' 17F . . . . . 0.613 ' O7 ' ' C18' ' C' ' 218' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 219' ' ' 17F . . . . . 0.513 ' O10' ' O7 ' ' C' ' 219' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 32.0 mt . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.685 0.279 . . . . 10.0 110.68 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 8.2 tmtm? -63.93 -44.91 91.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.037 -0.529 . . . . 10.0 111.437 -179.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 86.4 mt -68.01 -36.42 79.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.92 0.391 . . . . 10.0 110.791 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 54.2 mt -69.78 -39.79 76.42 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.656 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -68.97 -44.34 73.12 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.721 -0.672 . . . . 10.0 110.663 179.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -73.94 -14.22 61.01 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.037 -0.529 . . . . 10.0 111.912 -179.703 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 21.3 t90 -69.51 -32.62 71.59 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 108.806 -0.813 . . . . 10.0 108.806 178.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -62.57 -40.7 97.72 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.371 -0.831 . . . . 10.0 110.478 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.38 -40.75 91.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.773 -0.649 . . . . 10.0 110.354 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 39.0 t -70.59 -40.03 76.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.041 178.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 26.5 m -59.76 -46.1 90.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.702 -0.681 . . . . 10.0 111.637 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 2.7 p -65.86 -45.03 83.64 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.049 0.452 . . . . 10.0 110.238 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 39.2 m -58.23 -46.27 86.2 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.05 178.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.8 -40.35 88.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.573 179.273 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 14.2 m -62.65 -46.59 87.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.227 -0.442 . . . . 10.0 109.991 179.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 40.5 mmtt -60.86 -41.51 96.05 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.965 -0.562 . . . . 10.0 109.885 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 88.9 mt -64.15 -42.58 96.71 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.3 179.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 24.4 ttm180 -65.78 -40.32 91.88 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.312 -0.403 . . . . 10.0 110.676 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -66.48 -27.94 68.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.014 0.435 . . . . 10.0 110.356 178.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -82.63 -28.93 30.42 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.74 -0.664 . . . . 10.0 109.411 178.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 13.9 mt -55.86 -41.58 74.58 Favored 'General case' 0 C--O 1.225 -0.196 0 CA-C-N 116.264 -0.425 . . . . 10.0 111.58 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -53.21 -67.84 1.93 Allowed Glycine 0 CA--C 1.518 0.263 0 N-CA-C 111.435 -0.666 . . . . 10.0 111.435 179.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -51.73 -44.9 41.54 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.996 2.464 . . . . 10.0 111.371 178.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 25.0 t -55.43 -48.76 76.64 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-O 120.636 0.255 . . . . 10.0 110.694 179.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 30.4 m -62.6 -44.67 95.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.068 -0.515 . . . . 10.0 109.971 179.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -61.72 -51.72 67.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.329 -0.396 . . . . 10.0 111.241 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -60.31 -47.36 86.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.921 -0.581 . . . . 10.0 111.257 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -64.68 -43.12 94.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.342 -0.39 . . . . 10.0 110.947 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -65.6 -37.01 85.41 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 116.272 -0.422 . . . . 10.0 111.46 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -59.35 -44.65 92.64 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.34 -0.615 . . . . 10.0 109.34 178.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -69.22 -34.61 75.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.483 -0.781 . . . . 10.0 109.611 178.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 41.9 mt -67.42 -32.8 73.93 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.976 -0.556 . . . . 10.0 109.522 178.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -65.58 -42.96 91.15 Favored 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 109.048 -0.723 . . . . 10.0 109.048 178.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 13.0 mtmt -69.09 -32.4 71.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.745 -0.661 . . . . 10.0 109.26 178.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.5 -48.48 66.98 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 115.733 -0.667 . . . . 10.0 109.892 178.753 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 2.5 p -67.18 -40.65 86.58 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.051 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -59.01 -44.67 91.72 Favored 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 109.622 -0.51 . . . . 10.0 109.622 178.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -59.22 -46.4 93.88 Favored Glycine 0 N--CA 1.448 -0.502 0 N-CA-C 110.7 -0.96 . . . . 10.0 110.7 178.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 14.5 mt -68.37 -27.51 66.3 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.686 0.279 . . . . 10.0 111.691 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -68.96 -38.02 79.16 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.246 0.546 . . . . 10.0 109.689 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -75.88 -36.22 59.58 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.413 -0.958 . . . . 10.0 108.413 177.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -64.13 -37.95 89.31 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 115.046 -0.979 . . . . 10.0 109.962 178.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 48.7 ttm -55.84 -36.59 67.69 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.699 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 2.3 m -68.52 0.89 3.54 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.848 -0.615 . . . . 10.0 111.745 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -133.3 -56.09 0.91 Allowed 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.136 179.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 246' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -55.94 -41.5 74.74 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.706 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . 17.4 mt -98.44 -40.76 8.12 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.151 0.426 . . . . 10.0 112.151 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -61.95 -43.93 97.81 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.934 -0.306 . . . . 10.0 111.614 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -68.36 -34.44 76.08 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.953 -0.299 . . . . 10.0 111.043 179.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 250' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -66.96 -22.29 29.34 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.513 0 C-N-CA 120.681 -0.408 . . . . 10.0 110.668 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 82.3 mttt -86.47 -46.61 10.04 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.371 -0.603 . . . . 10.0 109.371 178.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -64.14 -37.35 87.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.978 -0.555 . . . . 10.0 110.967 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -86.36 -15.65 39.82 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.213 -0.449 . . . . 10.0 111.464 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 254' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.99 -25.69 32.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.654 -0.418 . . . . 10.0 110.727 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -60.28 -62.2 6.41 Favored Pre-proline 0 N--CA 1.452 -0.336 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.513 179.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -68.35 -28.91 32.54 Favored 'Trans proline' 0 C--N 1.356 0.921 0 C-N-CA 121.62 1.546 . . . . 10.0 111.68 178.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 6.7 m-30 -65.81 -54.59 24.85 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-O 120.87 0.367 . . . . 10.0 110.678 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 62.6 mt -66.7 -35.04 79.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.371 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -63.47 -46.76 84.72 Favored 'General case' 0 CA--C 1.517 -0.324 0 O-C-N 123.41 0.444 . . . . 10.0 110.036 178.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -56.58 -53.29 59.31 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.187 179.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -63.41 -41.65 98.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.569 -0.742 . . . . 10.0 111.467 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.54 -40.98 85.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.537 0.208 . . . . 10.0 111.101 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.32 -44.99 95.22 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.08 -0.711 . . . . 10.0 109.08 179.302 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 264' ' ' LYS . . . . . . . . . . . . . 78.2 mttt -68.4 -36.6 79.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.689 -0.687 . . . . 10.0 109.755 178.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -63.12 -39.09 93.66 Favored 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 109.585 -0.524 . . . . 10.0 109.585 178.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -59.58 -49.47 77.65 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 108.883 -0.784 . . . . 10.0 108.883 178.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -64.25 -41.16 97.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.656 -0.702 . . . . 10.0 110.39 179.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -60.87 -44.31 97.23 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.951 -0.388 . . . . 10.0 109.951 178.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 90.9 mmm -68.17 -42.73 79.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.947 -0.57 . . . . 10.0 110.063 179.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -60.77 -50.22 74.33 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 116.227 -0.442 . . . . 10.0 109.843 179.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 39.0 mt -60.28 -39.18 85.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.064 -0.517 . . . . 10.0 109.89 178.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -63.23 -50.87 68.51 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.174 -0.466 . . . . 10.0 109.948 178.644 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 61.0 mtt85 -63.59 -38.57 91.63 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.62 -0.264 . . . . 10.0 110.985 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 44.4 mm-40 -63.9 -25.81 68.32 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.646 179.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 275' ' ' LYS . . . . . . . . . . . . . 11.1 mptt -93.33 -30.69 15.0 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.963 -0.562 . . . . 10.0 109.855 178.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 4.2 t -55.59 -45.42 78.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 10.0 111.746 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -58.87 -61.14 8.36 Favored Pre-proline 0 C--O 1.234 0.262 0 N-CA-C 112.729 0.64 . . . . 10.0 112.729 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -60.89 -42.38 38.09 Favored 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 122.026 1.817 . . . . 10.0 112.347 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 20.0 mt -63.36 -41.61 98.84 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 121.007 -0.277 . . . . 10.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -62.21 -42.05 98.94 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 109.397 -0.594 . . . . 10.0 109.397 178.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -62.88 -46.84 85.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.804 -0.634 . . . . 10.0 110.038 179.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -59.08 -48.53 81.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.195 179.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 94.1 mt -62.86 -39.04 93.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.593 -0.731 . . . . 10.0 110.577 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -64.22 -50.36 68.32 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.677 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -62.09 -41.62 98.38 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.207 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -64.21 -47.22 87.15 Favored Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 110.767 -0.933 . . . . 10.0 110.767 178.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -58.58 -40.65 83.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.601 0.239 . . . . 10.0 110.42 179.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -56.59 -46.82 80.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.477 179.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 11.0 tm0? -72.43 -49.2 35.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.86 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -57.6 -43.38 84.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.09 -0.504 . . . . 10.0 112.128 -179.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 92.3 mt -72.84 -38.39 67.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.641 -0.254 . . . . 10.0 111.126 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 24.0 t-80 -65.06 -36.93 85.9 Favored 'General case' 0 CA--C 1.521 -0.155 0 N-CA-C 108.663 -0.866 . . . . 10.0 108.663 178.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -60.88 -36.2 78.59 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 115.235 -0.893 . . . . 10.0 109.006 178.18 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 13.4 mt -71.04 -42.42 69.52 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 115.503 -0.771 . . . . 10.0 109.853 178.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -62.43 -30.89 71.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.376 179.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -67.5 -9.32 41.19 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.792 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 58.7 mmtt -112.74 -37.8 4.76 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.617 -0.883 . . . . 10.0 108.617 178.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 43.6 mt -57.69 -32.17 67.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.524 -0.762 . . . . 10.0 111.978 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 299' ' ' SER . . . . . . . . . . . . . 1.1 m -87.31 -67.3 0.16 Allowed Pre-proline 0 CA--C 1.537 0.461 0 N-CA-C 112.137 0.421 . . . . 10.0 112.137 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 300' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_exo -59.6 -55.85 1.55 Allowed 'Trans proline' 0 C--N 1.355 0.887 0 C-N-CA 122.28 1.987 . . . . 10.0 112.63 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 88.9 mt -73.87 -21.24 60.17 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.06 0.457 . . . . 10.0 110.385 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -70.53 -52.58 15.71 Favored Glycine 0 N--CA 1.443 -0.852 0 N-CA-C 111.017 -0.833 . . . . 10.0 111.017 178.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -65.33 -34.57 78.64 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.675 -0.491 . . . . 10.0 109.675 178.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -63.02 -41.33 99.52 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.603 -0.726 . . . . 10.0 109.479 178.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 7.4 tpt -66.04 -42.76 89.12 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.659 -0.7 . . . . 10.0 109.513 178.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 70.4 mtt180 -59.51 -44.67 93.07 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.299 178.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -65.97 -41.87 90.6 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.828 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -65.48 -31.98 73.35 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.258 -0.645 . . . . 10.0 109.258 178.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -68.43 -35.88 78.24 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 108.906 -0.776 . . . . 10.0 108.906 178.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 310' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -58.71 -42.77 89.41 Favored 'General case' 0 CA--C 1.516 -0.335 0 N-CA-C 108.998 -0.741 . . . . 10.0 108.998 177.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -71.34 -38.81 71.61 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.663 -0.699 . . . . 10.0 109.557 178.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -54.9 -51.26 66.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.437 -0.801 . . . . 10.0 109.521 178.443 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 21.1 t -76.68 -29.72 18.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.541 -0.754 . . . . 10.0 111.522 -179.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -63.03 -48.51 78.46 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.548 -0.538 . . . . 10.0 109.548 179.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -59.38 -36.81 76.48 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.011 -0.737 . . . . 10.0 109.011 178.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 44.8 mt -66.12 -53.49 37.24 Favored 'General case' 0 C--O 1.219 -0.548 0 CA-C-N 115.32 -0.855 . . . . 10.0 109.38 178.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 17.5 mtm105 -56.09 -43.13 77.75 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.184 0.439 . . . . 10.0 112.184 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 2.0 m -69.88 -23.1 63.2 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.01 0.374 . . . . 10.0 112.01 -179.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 7.9 m170 -97.56 -41.7 8.03 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 111.779 0.288 . . . . 10.0 111.779 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 93.3 mt -64.17 -33.57 76.1 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.917 0.34 . . . . 10.0 111.917 -179.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -55.94 -62.47 4.62 Favored Pre-proline 0 CA--C 1.535 0.392 0 C-N-CA 121.079 -0.248 . . . . 10.0 111.497 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -66.12 -33.44 40.53 Favored 'Trans proline' 0 C--N 1.354 0.834 0 C-N-CA 121.393 1.396 . . . . 10.0 111.125 178.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 10.0 m-30 -61.78 -47.72 83.91 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.553 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 25.0 p -66.53 -37.74 85.67 Favored 'General case' 0 CA--C 1.517 -0.301 0 O-C-N 123.279 0.362 . . . . 10.0 110.338 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -64.35 -39.11 93.23 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.247 0.546 . . . . 10.0 109.668 179.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -70.67 -30.6 67.23 Favored 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 108.906 -0.775 . . . . 10.0 108.906 177.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 67.9 mt -69.77 -32.28 70.7 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 108.672 -0.862 . . . . 10.0 108.672 178.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 83.1 mtt180 -63.37 -38.66 92.0 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 108.701 -0.852 . . . . 10.0 108.701 177.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -66.55 -41.44 88.69 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 108.709 -0.849 . . . . 10.0 108.709 177.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 34.3 mtt180 -59.41 -49.53 77.45 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 115.533 -0.758 . . . . 10.0 109.873 178.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 25.0 mt -56.96 -44.95 83.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.681 -0.69 . . . . 10.0 110.233 179.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -63.31 -42.7 99.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.607 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -66.45 -48.78 68.84 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.791 179.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 28.4 mmt180 -60.82 -51.69 68.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.855 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 35.7 mt -64.05 -37.88 89.05 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.152 0.427 . . . . 10.0 112.152 -179.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -65.61 -44.14 87.46 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.765 -0.374 . . . . 10.0 110.543 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -65.83 -45.04 83.72 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 109.937 -0.394 . . . . 10.0 109.937 179.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 89.9 mt -72.06 -11.63 60.84 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.85 -0.614 . . . . 10.0 111.697 179.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 46.9 tttt -89.16 -45.94 9.19 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.924 0.393 . . . . 10.0 110.098 179.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -66.15 -48.16 71.7 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 108.831 -0.803 . . . . 10.0 108.831 178.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -70.31 -35.77 73.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.347 -0.842 . . . . 10.0 109.045 178.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -62.12 -45.54 95.85 Favored Glycine 0 N--CA 1.448 -0.538 0 CA-C-N 115.681 -0.69 . . . . 10.0 111.78 179.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -62.83 -37.88 95.59 Favored Glycine 0 N--CA 1.445 -0.715 0 N-CA-C 110.58 -1.008 . . . . 10.0 110.58 178.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -64.95 -43.2 93.46 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 109.685 -0.487 . . . . 10.0 109.685 178.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 49.9 mtm180 -63.52 -44.1 95.25 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.102 -0.499 . . . . 10.0 109.818 179.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 47.7 mt -60.65 -54.84 40.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.72 -0.673 . . . . 10.0 110.773 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.26 -43.2 82.81 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.216 0.532 . . . . 10.0 110.635 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -64.7 -46.15 83.58 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.601 -0.727 . . . . 10.0 110.113 179.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -63.05 -31.85 73.08 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.747 0.277 . . . . 10.0 111.747 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 32.3 m-70 -66.01 -40.13 90.83 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.604 -0.887 . . . . 10.0 108.604 177.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -68.86 -41.44 78.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.399 -0.819 . . . . 10.0 109.44 178.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 38.4 mttm -61.97 -44.22 97.2 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.023 -0.732 . . . . 10.0 109.023 178.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -61.79 -32.78 73.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.648 -0.705 . . . . 10.0 109.982 179.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 57.7 m -66.0 -43.2 88.42 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.794 -0.817 . . . . 10.0 108.794 179.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -63.94 -38.64 91.83 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.533 -0.543 . . . . 10.0 109.533 177.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 -64.71 -40.21 94.97 Favored 'General case' 0 C--O 1.223 -0.333 0 N-CA-C 109.303 -0.629 . . . . 10.0 109.303 178.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 68.6 mt -66.66 -38.0 85.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.568 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 20.2 m -63.11 -40.62 98.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.254 179.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.32 -32.02 54.99 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.521 -0.548 . . . . 10.0 109.521 179.185 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 30.6 tp -66.18 -30.12 70.53 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-N 115.717 -0.674 . . . . 10.0 109.446 178.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 50.5 m -63.09 -33.78 76.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.831 -0.622 . . . . 10.0 109.331 178.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -72.34 -17.76 61.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.825 -0.625 . . . . 10.0 110.195 178.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 363' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -92.38 -38.08 12.22 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.01 179.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -80.51 -19.64 45.38 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.539 -0.755 . . . . 10.0 112.582 -179.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -113.97 -77.41 0.01 OUTLIER Pre-proline 0 CA--C 1.538 0.506 0 N-CA-C 112.547 0.573 . . . . 10.0 112.547 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -58.37 -51.03 8.21 Favored 'Trans proline' 0 C--N 1.357 0.99 0 C-N-CA 121.846 1.697 . . . . 10.0 112.755 -179.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 367' ' ' ALA . . . . . . . . . . . . . . . -63.35 -44.53 94.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.562 -0.29 . . . . 10.0 111.373 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 2.7 mt -61.57 -44.88 96.22 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 121.014 -0.274 . . . . 10.0 110.917 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -63.81 -39.36 94.06 Favored 'General case' 0 C--O 1.224 -0.245 0 N-CA-C 109.485 -0.561 . . . . 10.0 109.485 178.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -62.33 -48.11 81.27 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.591 -0.731 . . . . 10.0 109.605 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 92.6 mt -64.73 -40.37 95.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.795 179.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 78.8 mtt180 -63.65 -49.69 72.24 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.698 179.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -64.84 -27.3 68.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.706 179.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -79.68 -42.07 11.95 Favored Glycine 0 N--CA 1.444 -0.774 0 C-N-CA 120.783 -0.722 . . . . 10.0 112.005 179.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 51.7 mt -76.57 -28.46 56.24 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.752 0.649 . . . . 10.0 112.752 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 19.0 mt -49.69 -57.94 10.7 Favored Pre-proline 0 CA--C 1.537 0.457 0 N-CA-C 112.876 0.695 . . . . 10.0 112.876 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.72 -22.41 50.12 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 121.898 1.732 . . . . 10.0 111.318 179.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 76.7 t -72.31 -40.03 64.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 108.535 -0.913 . . . . 10.0 108.535 178.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 72.5 mt -64.66 -36.89 85.71 Favored 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 108.816 -0.809 . . . . 10.0 108.816 178.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -63.85 -49.15 73.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.619 -0.718 . . . . 10.0 110.123 178.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.37 -35.26 79.89 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.23 179.43 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.7 -39.4 91.35 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 115.926 -0.579 . . . . 10.0 109.693 178.527 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -62.55 -34.55 77.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.98 -0.555 . . . . 10.0 109.513 178.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 87.1 t -67.36 -46.47 83.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.816 -0.629 . . . . 10.0 109.604 179.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.98 -41.5 95.37 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.923 0.392 . . . . 10.0 110.383 179.312 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -60.34 -51.25 70.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.73 -0.668 . . . . 10.0 111.206 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 90.2 mt -60.27 -44.24 95.5 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.3 -0.409 . . . . 10.0 111.023 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 19.8 m -62.38 -44.26 96.87 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.892 -0.594 . . . . 10.0 110.448 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -63.79 -43.55 95.99 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.548 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 70.4 mt -59.1 -43.0 91.83 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.509 -0.314 . . . . 10.0 110.471 179.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -62.98 -37.4 86.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.779 -0.646 . . . . 10.0 110.312 178.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -61.42 -40.7 95.4 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.464 179.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -64.86 -42.42 94.89 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.8 -0.636 . . . . 10.0 110.702 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 1.1 m -70.73 -35.25 72.61 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.853 0.359 . . . . 10.0 110.467 179.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -71.18 -41.78 69.89 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.941 0.719 . . . . 10.0 112.941 -179.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -93.15 -40.11 10.67 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 114.246 1.202 . . . . 10.0 114.246 -177.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 82.7 mt -83.45 -3.0 57.18 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.137 0.421 . . . . 10.0 112.137 -179.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 30.3 t30 . . . . . 0 C--N 1.322 -0.617 0 CA-C-N 116.366 -0.379 . . . . 10.0 110.201 179.927 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 2.3 mm? . . . . . 0 CA--C 1.52 -0.186 0 CA-C-O 121.403 0.62 . . . . 10.0 110.106 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 4.5 mtpm? -122.53 17.62 10.45 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.247 -0.888 . . . . 10.0 109.516 179.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 71.8 mt -66.67 -40.9 88.79 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.409 -0.814 . . . . 10.0 110.148 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 84.5 mt -64.28 -35.34 80.52 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.652 -0.704 . . . . 10.0 109.841 178.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -64.63 -43.6 93.18 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.53 -0.759 . . . . 10.0 109.883 179.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -70.86 -39.11 73.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.267 179.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -60.83 -37.37 81.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.975 -0.557 . . . . 10.0 111.159 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -61.61 -44.54 96.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.441 -0.345 . . . . 10.0 110.135 179.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.28 -42.01 85.61 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.972 -0.558 . . . . 10.0 109.972 178.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 46.3 t -65.43 -39.8 86.34 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 CA-C-N 115.91 -0.586 . . . . 10.0 109.75 179.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 27.4 m -62.97 -43.57 98.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.713 -0.676 . . . . 10.0 109.914 179.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 7.6 m -62.39 -35.53 79.49 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 109.453 -0.573 . . . . 10.0 109.453 178.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 45.4 m -61.42 -45.34 94.72 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.574 -0.739 . . . . 10.0 109.688 178.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -68.03 -35.19 77.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.812 179.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 15.9 m -61.36 -46.44 90.22 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.608 -0.516 . . . . 10.0 109.608 179.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 24.9 mmtt -66.09 -29.38 69.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.778 -0.647 . . . . 10.0 110.19 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 10.7 mt -70.25 -40.44 74.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.05 -0.523 . . . . 10.0 109.707 178.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 81.1 mtt180 -68.18 -32.8 73.31 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.815 -0.63 . . . . 10.0 110.375 179.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -67.05 -27.2 67.19 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.664 -0.698 . . . . 10.0 109.614 178.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -81.19 -49.43 10.82 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.391 -0.822 . . . . 10.0 109.075 178.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 81.6 mt -44.76 -42.91 8.13 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.18 -0.918 . . . . 10.0 112.387 -179.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -54.17 -79.27 0.09 OUTLIER Glycine 0 C--N 1.333 0.377 0 C-N-CA 121.118 -0.563 . . . . 10.0 112.569 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -55.56 -38.73 93.82 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.937 2.425 . . . . 10.0 112.433 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 20.7 t -58.77 -44.63 90.65 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 CA-C-N 116.586 -0.279 . . . . 10.0 111.692 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 33.9 p -73.64 -33.78 64.67 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.651 -0.42 . . . . 10.0 110.363 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -58.31 -51.83 68.16 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.424 -0.584 . . . . 10.0 109.424 178.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -75.96 -26.04 56.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.884 -0.598 . . . . 10.0 111.051 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -65.95 -44.55 84.67 Favored 'General case' 0 CA--C 1.514 -0.412 0 N-CA-C 109.121 -0.696 . . . . 10.0 109.121 178.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 12.3 m0 -65.5 -38.83 90.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.465 -0.788 . . . . 10.0 109.498 178.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -65.86 -40.79 92.0 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.023 -0.732 . . . . 10.0 109.023 178.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -62.69 -45.85 90.88 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.694 -0.854 . . . . 10.0 108.694 177.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 52.0 mt -58.3 -37.97 76.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.409 -0.814 . . . . 10.0 110.266 178.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -64.51 -42.22 95.93 Favored 'General case' 0 CA--C 1.523 -0.066 0 CA-C-N 116.561 -0.29 . . . . 10.0 110.432 178.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 36.0 mttp -64.35 -44.18 92.25 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 109.076 -0.713 . . . . 10.0 109.076 178.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -64.04 -55.35 22.87 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.393 -0.821 . . . . 10.0 110.887 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 16.9 p -57.15 -45.56 83.48 Favored 'General case' 0 C--O 1.226 -0.174 0 CA-C-N 116.339 -0.391 . . . . 10.0 111.674 -179.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -60.56 -46.92 88.4 Favored 'General case' 0 CA--C 1.519 -0.225 0 O-C-N 122.954 0.159 . . . . 10.0 110.691 179.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -60.66 -47.38 91.45 Favored Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 110.597 -1.001 . . . . 10.0 110.597 178.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 54.3 mt -63.71 -35.19 79.75 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-O 120.652 0.263 . . . . 10.0 110.546 179.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 42.3 mtt180 -62.96 -41.83 99.64 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.781 -0.451 . . . . 10.0 109.781 179.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -67.18 -37.45 83.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.065 -0.516 . . . . 10.0 109.966 178.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -67.76 -43.67 79.32 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.712 -0.676 . . . . 10.0 109.534 178.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 96.6 mmm -70.42 -35.28 73.32 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.254 -0.885 . . . . 10.0 113.172 -178.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 2.5 p -63.84 -48.89 74.97 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.529 -0.545 . . . . 10.0 109.529 179.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -64.13 -36.55 84.4 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.694 -0.684 . . . . 10.0 109.22 178.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -63.77 -56.18 17.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.138 -0.937 . . . . 10.0 110.391 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 79.6 mt -60.34 -46.32 90.35 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.299 0.481 . . . . 10.0 112.299 -179.113 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 446' ' ' GLU . . . . . 0.442 ' CD ' ' HZ1' ' D' ' 449' ' ' LYS . 21.8 mm-40 -60.91 -44.94 96.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.121 0.486 . . . . 10.0 110.637 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 447' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -72.01 -27.63 62.86 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.197 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 2.0 t -61.9 -42.15 93.58 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.307 0 N-CA-C 108.895 -0.78 . . . . 10.0 108.895 178.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 449' ' ' LYS . . . . . 0.442 ' HZ1' ' CD ' ' D' ' 446' ' ' GLU . 78.3 mttt -65.36 -38.58 90.49 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.232 -0.655 . . . . 10.0 109.232 178.754 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -79.06 5.07 12.73 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.579 -0.737 . . . . 10.0 111.288 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 60.0 mttm -121.19 -48.84 2.2 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.588 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 96.7 t -63.94 -40.79 90.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.477 -0.329 . . . . 10.0 111.366 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -56.97 -59.3 12.99 Favored Pre-proline 0 CA--C 1.535 0.371 0 C-N-CA 120.895 -0.322 . . . . 10.0 111.478 179.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -67.28 -30.31 37.4 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 121.779 1.652 . . . . 10.0 111.796 178.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -68.78 -40.84 79.46 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-O 120.561 0.22 . . . . 10.0 110.579 179.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 17.5 mt -65.58 -40.65 92.99 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 109.025 -0.732 . . . . 10.0 109.025 178.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -65.24 -44.46 88.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.486 -0.779 . . . . 10.0 109.514 178.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -62.53 -45.74 91.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.691 -0.686 . . . . 10.0 110.257 179.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.72 -40.66 88.5 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.517 178.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -64.8 -29.24 70.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.765 0.317 . . . . 10.0 110.202 178.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 40.7 mttt -65.14 -45.34 85.42 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 108.339 -0.986 . . . . 10.0 108.339 177.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 27.1 mtmm -71.74 -35.39 70.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.182 -0.917 . . . . 10.0 110.01 178.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 13.1 m0 -63.65 -39.81 95.29 Favored 'General case' 0 CA--C 1.518 -0.254 0 N-CA-C 109.267 -0.642 . . . . 10.0 109.267 178.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -63.81 -44.22 93.93 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 108.953 -0.758 . . . . 10.0 108.953 178.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 465' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -57.61 -52.29 66.02 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 108.751 -0.833 . . . . 10.0 108.751 177.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -55.61 -47.61 76.25 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 115.554 -0.748 . . . . 10.0 110.487 179.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 2.7 mtm -61.99 -46.91 87.18 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.378 -0.374 . . . . 10.0 111.125 179.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -65.69 -34.42 78.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.842 0.353 . . . . 10.0 110.088 179.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 469' ' ' LEU . . . . . . . . . . . . . 64.0 mt -68.08 -38.5 82.44 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 115.89 -0.595 . . . . 10.0 109.575 178.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 11.4 m-30 -63.33 -41.61 98.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.112 0.482 . . . . 10.0 110.105 178.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 81.5 mtt180 -72.81 -13.84 61.39 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.74 179.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -116.99 24.71 11.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.391 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 473' ' ' LYS . . . . . . . . . . . . . 3.2 mttp -153.79 -66.82 0.14 Allowed 'General case' 0 C--O 1.221 -0.41 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.071 179.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 99.7 t -58.82 -44.75 91.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.83 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -60.99 -58.69 17.43 Favored Pre-proline 0 CA--C 1.535 0.366 0 N-CA-C 111.675 0.25 . . . . 10.0 111.675 179.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.62 -38.29 95.85 Favored 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 121.851 1.701 . . . . 10.0 110.951 178.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 34.4 mt -67.47 -31.81 72.22 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 116.3 -0.409 . . . . 10.0 110.098 179.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 28.8 mtt180 -64.71 -38.82 92.28 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 109.61 -0.515 . . . . 10.0 109.61 178.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -70.61 -43.32 69.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.766 -0.652 . . . . 10.0 109.497 178.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -61.96 -46.17 90.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.639 -0.71 . . . . 10.0 109.584 178.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 57.3 mt -70.75 -27.53 64.01 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.85 179.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.53 -42.87 82.06 Favored 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 107.884 -1.154 . . . . 10.0 107.884 178.22 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -66.87 -44.25 81.4 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 108.641 -0.874 . . . . 10.0 108.641 178.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -62.01 -36.43 92.88 Favored Glycine 0 N--CA 1.447 -0.601 0 N-CA-C 111.086 -0.806 . . . . 10.0 111.086 178.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -69.94 -36.32 75.2 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.931 -0.396 . . . . 10.0 109.931 178.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 69.7 mtt180 -66.46 -41.57 88.85 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 108.747 -0.834 . . . . 10.0 108.747 178.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -65.34 -45.62 83.5 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 108.623 -0.88 . . . . 10.0 108.623 178.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -59.03 -44.07 91.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.519 -0.764 . . . . 10.0 109.953 179.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 2.5 mt -63.54 -39.53 94.65 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.971 -0.559 . . . . 10.0 109.815 178.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 16.1 t-160 -64.1 -45.48 88.45 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 108.791 -0.818 . . . . 10.0 108.791 178.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -58.02 -45.19 87.3 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 108.942 -0.762 . . . . 10.0 108.942 178.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 92.6 mt -64.57 -39.73 94.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.546 -0.752 . . . . 10.0 111.38 179.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -57.72 -43.07 85.03 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.045 0.45 . . . . 10.0 110.578 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -76.86 14.2 0.89 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.471 -0.786 . . . . 10.0 111.505 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 495' ' ' LYS . . . . . . . . . . . . . 18.1 mttp -131.49 -46.15 0.98 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.209 178.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 82.5 mt -64.28 -25.94 68.27 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.112 -0.495 . . . . 10.0 111.022 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 497' ' ' SER . . . . . . . . . . . . . 2.3 m -84.52 -65.46 0.22 Allowed Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 116.434 -0.348 . . . . 10.0 111.845 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 498' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -62.89 -56.83 0.51 Allowed 'Trans proline' 0 C--N 1.358 1.056 0 C-N-CA 121.658 1.572 . . . . 10.0 112.438 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 499' ' ' LEU . . . . . . . . . . . . . 10.1 mt -69.21 -29.96 68.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.471 0.177 . . . . 10.0 110.78 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -64.35 -51.5 51.99 Favored Glycine 0 N--CA 1.449 -0.462 0 N-CA-C 111.431 -0.668 . . . . 10.0 111.431 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -70.87 -30.67 67.11 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.999 -0.371 . . . . 10.0 109.999 178.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 502' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -64.78 -46.59 81.45 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.018 -0.537 . . . . 10.0 109.619 179.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 74.4 mmm -61.66 -38.12 86.59 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 116.22 -0.445 . . . . 10.0 109.884 179.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 51.3 mtt180 -66.06 -37.06 84.88 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.146 178.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -69.93 -36.24 75.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.303 0.573 . . . . 10.0 109.634 178.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 506' ' ' ARG . . . . . . . . . . . . . 65.3 mtt180 -63.3 -45.68 90.23 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 107.365 -1.346 . . . . 10.0 107.365 177.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -59.39 -37.69 78.61 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 115.23 -0.896 . . . . 10.0 109.749 179.021 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 508' ' ' ARG . . . . . . . . . . . . . 70.6 mtt180 -59.42 -45.75 90.67 Favored 'General case' 0 C--O 1.224 -0.279 0 N-CA-C 108.722 -0.844 . . . . 10.0 108.722 178.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -65.53 -34.97 79.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.826 -0.625 . . . . 10.0 110.547 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 41.6 m-70 -68.37 -48.41 64.83 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.085 0.469 . . . . 10.0 109.77 178.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 75.7 t -65.31 -41.91 92.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.709 -0.678 . . . . 10.0 110.246 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -61.26 -37.52 83.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.165 179.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -66.49 -46.59 75.77 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.197 -0.668 . . . . 10.0 109.197 178.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 514' ' ' LEU . . . . . . . . . . . . . 69.7 mt -58.18 -23.65 56.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.522 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 515' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 -67.75 -25.5 65.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.968 0.413 . . . . 10.0 110.088 178.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 2.5 m -112.23 -13.92 13.42 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.159 0.504 . . . . 10.0 110.058 179.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 16.9 m170 -91.15 -56.76 3.03 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.928 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 59.1 mt -90.3 -49.71 6.38 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 113.363 0.875 . . . . 10.0 113.363 -177.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 519' ' ' ALA . . . . . . . . . . . . . . . -46.3 -60.11 4.06 Favored Pre-proline 0 N--CA 1.47 0.558 0 N-CA-C 113.715 1.006 . . . . 10.0 113.715 -178.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 520' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -62.97 -30.72 76.95 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.002 1.802 . . . . 10.0 111.338 179.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -64.83 -41.27 95.88 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.859 -0.609 . . . . 10.0 110.35 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.11 -37.3 84.58 Favored 'General case' 0 CA--C 1.52 -0.176 0 N-CA-C 109.938 -0.393 . . . . 10.0 109.938 178.753 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -67.17 -37.82 84.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.22 0.533 . . . . 10.0 109.815 179.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -71.54 -35.17 70.56 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 108.662 -0.866 . . . . 10.0 108.662 178.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 16.3 mt -64.19 -32.59 74.23 Favored 'General case' 0 C--O 1.22 -0.469 0 N-CA-C 108.784 -0.821 . . . . 10.0 108.784 178.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 526' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 -64.03 -37.19 86.52 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.274 -0.639 . . . . 10.0 109.274 178.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -67.43 -41.12 85.3 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.288 -0.634 . . . . 10.0 109.288 178.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 528' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -67.23 -48.39 67.95 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.362 -0.835 . . . . 10.0 109.488 179.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 82.9 mt -62.7 -28.23 69.8 Favored 'General case' 0 C--O 1.222 -0.374 0 CA-C-N 115.835 -0.62 . . . . 10.0 110.592 179.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -65.68 -37.78 87.44 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.089 -0.708 . . . . 10.0 109.089 178.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -73.32 -39.62 65.13 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.754 -0.832 . . . . 10.0 108.754 178.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 7.7 ttm180 -62.37 -45.23 94.13 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.348 -0.842 . . . . 10.0 109.05 178.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 31.6 mt -64.15 -42.01 96.94 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.936 -0.574 . . . . 10.0 109.946 178.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -60.02 -43.08 95.51 Favored 'General case' 0 CA--C 1.522 -0.108 0 CA-C-N 116.096 -0.502 . . . . 10.0 109.975 179.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -65.13 -37.32 87.05 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 109.336 -0.616 . . . . 10.0 109.336 178.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 76.3 mt -71.97 -22.57 61.42 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.936 -0.574 . . . . 10.0 110.397 178.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -83.72 -37.89 22.11 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.757 -0.831 . . . . 10.0 108.757 178.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 22.3 tp10 -68.54 -57.81 5.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.368 -0.833 . . . . 10.0 109.518 178.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -67.67 -34.16 76.36 Favored 'General case' 0 CA--C 1.514 -0.425 0 N-CA-C 109.188 -0.671 . . . . 10.0 109.188 179.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -63.54 -48.82 74.44 Favored Glycine 0 N--CA 1.451 -0.351 0 CA-C-N 115.772 -0.649 . . . . 10.0 111.644 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -64.13 -42.97 97.84 Favored Glycine 0 N--CA 1.445 -0.708 0 N-CA-C 111.072 -0.811 . . . . 10.0 111.072 179.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -61.97 -49.88 74.34 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 110.04 -0.356 . . . . 10.0 110.04 178.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 60.7 mtt180 -60.81 -30.01 69.81 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-N 116.189 -0.459 . . . . 10.0 110.827 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 14.7 mt -64.32 -46.0 85.42 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.39 -0.596 . . . . 10.0 109.39 178.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -66.08 -44.24 85.02 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 109.351 -0.611 . . . . 10.0 109.351 179.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 -59.86 -45.01 93.78 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-N 115.533 -0.758 . . . . 10.0 109.922 178.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -66.16 -40.7 90.71 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.923 179.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -62.02 -42.24 98.94 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 109.683 -0.488 . . . . 10.0 109.683 178.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -69.31 -47.36 64.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.616 -0.72 . . . . 10.0 109.288 178.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.58 -37.28 78.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.879 -0.6 . . . . 10.0 110.965 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -65.02 -42.29 94.55 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 116.117 -0.492 . . . . 10.0 109.866 179.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 5.8 m -69.56 -41.66 75.58 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.121 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 78.2 mt-10 -61.33 -47.4 86.07 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 108.928 -0.768 . . . . 10.0 108.928 178.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 32.4 t60 -62.87 -44.01 97.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.41 -0.814 . . . . 10.0 109.936 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 23.7 tp -61.21 -36.95 81.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.108 0.48 . . . . 10.0 109.723 179.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 44.0 m -65.8 -47.98 73.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.777 -0.647 . . . . 10.0 109.785 179.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 1.5 p -66.73 -31.21 71.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.79 0.329 . . . . 10.0 110.341 178.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 38.2 mt -66.49 -56.71 9.6 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.075 178.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 5.4 p -65.24 -31.19 72.23 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 116.512 -0.313 . . . . 10.0 111.556 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -62.72 -32.86 74.05 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.154 -0.475 . . . . 10.0 109.722 178.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.84 -36.59 12.17 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.342 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -55.03 -47.75 74.33 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.665 0.617 . . . . 10.0 112.665 -178.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -54.97 -63.74 2.67 Favored Pre-proline 0 CA--C 1.531 0.222 0 N-CA-C 112.383 0.512 . . . . 10.0 112.383 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -62.49 -29.07 78.28 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 122.114 1.876 . . . . 10.0 112.465 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -70.91 -53.51 14.79 Favored 'General case' 0 C--O 1.222 -0.381 0 C-N-CA 121.127 -0.229 . . . . 10.0 110.799 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 62.8 mt -59.67 -43.26 94.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.756 -0.202 . . . . 10.0 110.964 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -62.45 -51.55 67.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.379 -0.373 . . . . 10.0 110.493 179.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.32 -36.61 84.57 Favored 'General case' 0 CA--C 1.521 -0.14 0 CA-C-O 120.788 0.328 . . . . 10.0 111.492 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 23.0 mt -62.02 -46.26 89.99 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.752 -0.462 . . . . 10.0 109.752 178.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 25.8 mtt85 -68.77 -43.63 75.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.352 -0.386 . . . . 10.0 110.237 179.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -64.12 -19.26 65.14 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.301 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -96.84 -33.12 6.2 Favored Glycine 0 N--CA 1.443 -0.834 0 N-CA-C 110.662 -0.975 . . . . 10.0 110.662 178.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 11.1 mt -73.8 -41.12 62.82 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 122.344 0.258 . . . . 10.0 111.627 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 96.1 mt -50.32 -60.18 5.77 Favored Pre-proline 0 CA--C 1.537 0.459 0 N-CA-C 112.455 0.539 . . . . 10.0 112.455 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -70.45 -30.03 19.67 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 121.851 1.701 . . . . 10.0 112.342 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -70.04 -32.93 53.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 120.558 -0.457 . . . . 10.0 110.74 179.663 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 51.1 mt -65.43 -38.73 90.76 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 108.93 -0.767 . . . . 10.0 108.93 178.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -63.45 -42.97 98.66 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.948 -0.76 . . . . 10.0 108.948 178.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 51.1 m -64.76 -40.46 95.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.705 -0.679 . . . . 10.0 110.087 178.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -63.98 -40.69 96.95 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.101 -0.5 . . . . 10.0 109.818 178.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -56.95 -47.86 79.7 Favored 'General case' 0 C--O 1.225 -0.197 0 CA-C-N 115.866 -0.607 . . . . 10.0 109.89 179.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 60.5 t -59.34 -43.48 90.19 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.715 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 1.4 p -71.96 -27.48 62.81 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.088 0.47 . . . . 10.0 111.223 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -79.58 -44.71 20.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.766 179.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 88.6 mt -60.51 -46.86 88.57 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.794 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 8.2 p -62.05 -34.81 76.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.232 0.539 . . . . 10.0 110.158 179.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -68.61 -47.64 66.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.735 -0.666 . . . . 10.0 109.736 179.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 71.5 mt -57.76 -48.41 79.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 10.0 111.009 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -57.84 -50.11 74.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.832 -0.622 . . . . 10.0 111.422 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -68.64 -41.89 78.76 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.809 0.67 . . . . 10.0 112.809 -179.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -59.82 -40.07 87.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.778 0.323 . . . . 10.0 110.975 179.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 19.0 m -68.64 -29.58 68.1 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.096 0.474 . . . . 10.0 110.452 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -75.35 -36.93 60.9 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.087 0.47 . . . . 10.0 110.601 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 11.1 mptt -74.1 -32.11 63.08 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.836 -0.62 . . . . 10.0 111.176 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 95.8 mt -105.08 26.04 9.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.099 -0.501 . . . . 10.0 111.673 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 . . . . . 0 C--N 1.323 -0.577 0 CA-C-N 116.511 -0.313 . . . . 10.0 111.041 -179.954 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--O 1.233 0.202 0 CA-C-O 120.926 0.393 . . . . 10.0 110.512 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.99 134.11 55.16 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.903 -0.59 . . . . 10.0 109.958 179.223 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -95.01 139.83 30.82 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.418 -0.355 . . . . 10.0 110.993 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -133.94 113.99 12.79 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.288 -0.415 . . . . 10.0 110.74 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 45.8 mttm -79.72 115.46 19.34 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.648 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 18.8 mt -112.75 111.79 22.82 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.796 -179.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 45.6 t -100.41 123.56 53.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 110.056 -0.35 . . . . 10.0 110.056 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 2.9 t -88.62 115.39 28.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.123 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 28.0 m -113.84 146.52 18.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.974 0.416 . . . . 10.0 111.316 -179.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.31 -163.05 34.23 Favored Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 110.818 -0.913 . . . . 10.0 110.818 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -94.74 -177.0 4.05 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.003 0.43 . . . . 10.0 110.984 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -97.29 136.78 37.28 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.022 0.439 . . . . 10.0 110.369 179.356 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 95.94 6.86 59.0 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.72 -0.752 . . . . 10.0 111.772 -179.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 33.9 m -89.97 -27.66 5.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.673 0.273 . . . . 10.0 111.654 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 110.06 22.8 6.38 Favored Glycine 0 CA--C 1.518 0.257 0 C-N-CA 120.321 -0.943 . . . . 10.0 114.383 179.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 5.8 mtmt -59.44 -33.43 71.26 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.084 0.469 . . . . 10.0 111.908 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' SER . . . . . 0.45 ' N ' ' O1A' ' B' ' 201' ' ' GSP . 17.4 m -79.97 -43.39 22.14 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.613 -0.514 . . . . 10.0 109.613 179.376 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.69 -46.7 83.97 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 115.834 -0.621 . . . . 10.0 111.124 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 69.1 mt -57.97 -45.45 86.69 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.102 0.477 . . . . 10.0 110.569 178.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 32.5 m -65.72 -44.22 86.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.439 -0.8 . . . . 10.0 111.578 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 87.7 mt -64.69 -39.35 85.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.333 -0.394 . . . . 10.0 110.607 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -62.4 -27.47 69.11 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.925 -0.58 . . . . 10.0 111.295 179.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 14.2 tp -86.6 -17.6 33.51 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.9 0.381 . . . . 10.0 110.831 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 36.1 mm -97.44 -67.53 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 112.139 0.422 . . . . 10.0 112.139 -179.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -90.2 -11.13 41.95 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.892 0.331 . . . . 10.0 111.892 -178.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 60.18 46.25 10.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.766 -0.652 . . . . 10.0 112.656 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -147.06 148.02 31.22 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 116.161 -0.472 . . . . 10.0 109.858 178.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -90.31 138.18 31.74 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.098 0.475 . . . . 10.0 111.687 -179.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 2.7 m -106.44 107.22 22.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.581 -0.736 . . . . 10.0 110.041 179.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -75.29 -25.42 57.91 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.141 -0.482 . . . . 10.0 110.534 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -79.07 130.07 35.12 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.177 -0.675 . . . . 10.0 109.177 179.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -90.27 115.73 27.71 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.355 0.598 . . . . 10.0 110.942 -179.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -110.71 128.57 25.12 Favored Pre-proline 0 C--N 1.319 -0.736 0 CA-C-N 115.633 -0.712 . . . . 10.0 110.468 179.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -66.55 85.14 0.29 Allowed 'Trans proline' 0 C--O 1.233 0.251 0 C-N-CA 122.677 2.251 . . . . 10.0 111.94 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.61 109.43 7.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.778 -0.646 . . . . 10.0 110.342 179.468 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 47.4 mm -85.44 -50.38 14.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.855 0.359 . . . . 10.0 110.532 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -160.79 106.22 1.42 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.004 -0.543 . . . . 10.0 110.53 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -144.6 134.08 23.28 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.285 -0.416 . . . . 10.0 109.911 179.706 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 6.1 p -116.26 162.94 16.73 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.379 -0.373 . . . . 10.0 111.168 -179.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -140.52 148.64 41.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.347 -179.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -117.79 133.13 56.25 Favored 'General case' 0 C--O 1.236 0.376 0 O-C-N 123.32 0.388 . . . . 10.0 110.243 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 46.4 tttp -150.2 142.21 23.94 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 110.132 -0.322 . . . . 10.0 110.132 -179.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -117.86 120.88 39.24 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.834 -0.432 . . . . 10.0 109.834 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 3.6 m -134.5 159.14 42.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.99 0.424 . . . . 10.0 112.094 -179.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 9.7 t -97.32 89.63 2.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 109.285 -0.635 . . . . 10.0 109.285 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 49.9 mt -89.19 119.58 36.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.597 -178.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 68.66 -71.73 0.11 Allowed 'General case' 0 N--CA 1.468 0.471 0 O-C-N 123.84 0.712 . . . . 10.0 110.712 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -164.16 15.42 0.1 Allowed Glycine 0 N--CA 1.449 -0.488 0 N-CA-C 110.569 -1.012 . . . . 10.0 110.569 178.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -128.98 134.61 48.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.806 0.336 . . . . 10.0 110.907 -179.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 18.1 m -81.08 108.91 15.15 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.995 -0.743 . . . . 10.0 108.995 178.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 6.1 m -107.64 140.06 41.23 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.018 -0.537 . . . . 10.0 112.056 -178.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 36.3 tp -97.46 115.71 28.3 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.529 -0.915 . . . . 10.0 108.529 178.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 29.6 mt -82.7 120.36 25.49 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.912 -0.585 . . . . 10.0 112.257 -178.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -108.97 63.88 0.61 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.727 -1.212 . . . . 10.0 107.727 178.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 42.3 mt -78.7 140.71 16.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 114.7 -1.136 . . . . 10.0 112.535 -177.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 11.3 tp -144.78 123.29 12.43 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.532 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -103.24 129.53 50.21 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.849 -0.426 . . . . 10.0 109.849 179.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.76 162.07 14.81 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.615 -0.266 . . . . 10.0 110.601 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.49 121.95 19.57 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.376 0.607 . . . . 10.0 112.043 -179.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -93.46 35.92 3.94 Favored Glycine 0 N--CA 1.449 -0.483 0 N-CA-C 110.781 -0.927 . . . . 10.0 110.781 178.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -96.68 11.06 36.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.555 -0.323 . . . . 10.0 111.182 -179.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 65.75 -172.49 0.19 Allowed 'General case' 0 N--CA 1.464 0.273 0 O-C-N 123.693 0.62 . . . . 10.0 112.19 -179.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 66.19 28.81 10.0 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.711 0.767 . . . . 10.0 110.184 -178.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -130.72 37.75 3.78 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.337 -0.847 . . . . 10.0 110.13 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.71 -44.49 90.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.84 -0.618 . . . . 10.0 111.029 179.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.07 -38.27 61.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.106 0.479 . . . . 10.0 110.691 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 43.0 tpp -66.22 -33.84 76.67 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.67 179.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 1.5 tpp180 -57.1 -47.83 80.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.73 -0.668 . . . . 10.0 110.836 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.84 -21.06 65.66 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.666 -0.697 . . . . 10.0 112.383 -179.029 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -75.65 -67.25 0.69 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.925 0.713 . . . . 10.0 112.925 -178.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 18.7 p90 -67.62 -23.95 65.42 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 113.878 1.066 . . . . 10.0 113.878 -178.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 43.8 mtt -70.04 -25.49 63.59 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 111.79 0.293 . . . . 10.0 111.79 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -71.2 -44.78 64.74 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.057 0.456 . . . . 10.0 110.939 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 4.1 m -79.02 -23.85 44.05 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.941 -0.572 . . . . 10.0 112.38 -179.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -63.26 133.57 42.5 Favored Glycine 0 CA--C 1.521 0.407 0 C-N-CA 121.326 -0.464 . . . . 10.0 113.619 -179.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -91.1 -54.18 4.05 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.869 -0.419 . . . . 10.0 109.869 179.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -118.18 142.74 17.25 Favored Glycine 0 N--CA 1.446 -0.684 0 N-CA-C 110.923 -0.871 . . . . 10.0 110.923 179.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -116.74 124.42 49.6 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.415 0.626 . . . . 10.0 112.052 -178.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 13.1 tp -97.85 110.37 22.95 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.617 -0.72 . . . . 10.0 109.74 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 21.5 m -86.61 99.29 11.61 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.845 -0.428 . . . . 10.0 109.845 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 94.5 t -105.55 122.66 59.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 112.215 0.45 . . . . 10.0 112.215 -179.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 43.1 p90 -129.71 165.24 22.25 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.038 -0.727 . . . . 10.0 109.038 178.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -103.97 135.0 46.31 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 110.318 -0.253 . . . . 10.0 110.318 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 16.3 pt -68.27 -14.05 17.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.886 0.374 . . . . 10.0 111.305 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 22.3 p-10 -105.64 14.12 28.88 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.261 179.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -135.58 97.2 3.61 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.287 0.565 . . . . 10.0 110.784 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.36 -32.68 73.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.943 -0.571 . . . . 10.0 111.863 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 20.2 tptp -62.74 -44.91 94.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.338 -0.392 . . . . 10.0 110.73 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 90.2 p -64.35 -35.02 79.52 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.838 0.352 . . . . 10.0 111.792 -179.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -63.2 -46.1 88.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.805 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -74.05 -33.67 63.79 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.034 -0.53 . . . . 10.0 111.136 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.91 -27.92 67.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.951 -0.568 . . . . 10.0 111.436 -179.45 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 34.7 mm -59.43 -39.36 78.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.054 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -62.3 -41.61 98.66 Favored 'General case' 0 C--O 1.232 0.179 0 N-CA-C 109.964 -0.384 . . . . 10.0 109.964 179.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 70.8 m-70 -63.47 -40.14 96.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.872 -0.604 . . . . 10.0 110.195 179.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -65.26 -41.03 94.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.87 -0.604 . . . . 10.0 109.794 178.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -57.66 -46.89 83.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.729 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -66.09 -35.4 80.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.758 -0.656 . . . . 10.0 110.633 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -64.72 -51.9 59.96 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.55 179.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 68.3 mt -55.82 -45.35 79.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-N 116.028 -0.533 . . . . 10.0 111.076 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 14.6 mtmt -60.92 -34.08 74.14 Favored 'General case' 0 CA--C 1.522 -0.113 0 CA-C-N 116.11 -0.496 . . . . 10.0 111.943 -179.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -78.77 -42.05 28.97 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.461 -0.336 . . . . 10.0 111.128 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 97.1 t -63.57 -51.99 63.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.504 -0.316 . . . . 10.0 111.538 -179.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -81.91 -23.06 36.45 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.437 0.532 . . . . 10.0 112.437 -178.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 25.0 t70 63.15 79.64 0.25 Allowed 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 116.066 -0.515 . . . . 10.0 110.654 -179.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 33.3 t -170.96 150.01 3.05 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.748 -0.66 . . . . 10.0 109.59 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -90.68 -23.96 20.59 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.592 0.711 . . . . 10.0 109.223 178.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.86 113.43 26.91 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.434 -0.803 . . . . 10.0 109.842 179.36 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 88.0 t -133.24 127.27 19.85 Favored Pre-proline 0 C--N 1.325 -0.461 0 N-CA-C 109.331 -0.618 . . . . 10.0 109.331 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo -66.72 101.93 0.59 Allowed 'Trans proline' 0 C--O 1.236 0.406 0 C-N-CA 122.796 2.331 . . . . 10.0 111.613 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 43.6 mtm -132.49 155.43 48.59 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.811 -0.632 . . . . 10.0 111.095 -179.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 77.5 t -136.39 128.68 45.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 108.839 -0.8 . . . . 10.0 108.839 179.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 15.2 tp -87.41 113.65 23.3 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.513 -0.551 . . . . 10.0 109.513 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 89.4 t -119.88 122.13 67.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-O 121.076 0.465 . . . . 10.0 111.82 -178.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -99.66 124.91 8.39 Favored Glycine 0 N--CA 1.442 -0.954 0 N-CA-C 109.552 -1.419 . . . . 10.0 109.552 178.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -105.85 164.18 12.14 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 117.071 0.435 . . . . 10.0 111.196 -179.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 45.7 mttm 69.52 30.8 3.92 Favored 'General case' 0 N--CA 1.461 0.111 0 O-C-N 123.853 0.721 . . . . 10.0 111.762 179.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 88.4 m -66.53 -19.92 65.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.326 -0.397 . . . . 10.0 111.663 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.03 -13.94 60.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.3 -0.409 . . . . 10.0 111.437 179.618 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 63.0 mt -76.93 139.93 66.36 Favored Pre-proline 0 N--CA 1.454 -0.26 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.685 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_endo -80.24 164.11 22.04 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 122.666 2.244 . . . . 10.0 112.204 179.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 1.4 m 59.54 57.36 3.31 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.786 -0.643 . . . . 10.0 111.253 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -62.64 131.57 49.43 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.894 -0.594 . . . . 10.0 111.73 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 1.8 m -82.66 -40.99 19.95 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.596 -0.729 . . . . 10.0 109.503 179.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 62.7 t -93.92 129.44 44.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.064 -0.516 . . . . 10.0 109.726 179.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -88.07 142.71 27.56 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.183 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 9.9 m -62.4 -39.31 92.83 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.279 -0.418 . . . . 10.0 111.499 -179.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -61.72 -44.66 96.49 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.18 0.437 . . . . 10.0 112.18 -178.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -67.48 -29.75 69.27 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.586 -0.446 . . . . 10.0 111.091 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -74.72 -35.42 62.68 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.553 -0.536 . . . . 10.0 109.553 178.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -65.2 -42.05 93.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.453 179.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -62.55 -41.87 99.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.095 -0.502 . . . . 10.0 109.81 178.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 14.8 tp -64.32 -44.48 91.43 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.861 -0.609 . . . . 10.0 109.564 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.13 -38.85 92.79 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.303 178.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 8.0 ttm180 -64.11 -35.05 79.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.859 -0.609 . . . . 10.0 110.195 179.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 15.7 m -69.08 -36.63 77.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.719 -0.673 . . . . 10.0 110.717 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -79.09 -42.44 26.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.018 0.437 . . . . 10.0 110.26 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 107.67 -1.53 34.21 Favored Glycine 0 N--CA 1.449 -0.449 0 N-CA-C 110.702 -0.959 . . . . 10.0 110.702 -178.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 42.7 pt -90.28 160.16 40.39 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 115.341 -0.429 . . . . 10.0 111.293 -179.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -82.39 152.16 15.64 Favored 'Trans proline' 0 N--CA 1.46 -0.494 0 C-N-CA 123.028 2.485 . . . . 10.0 111.904 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -119.76 128.57 53.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.369 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 31.5 mt -129.47 132.17 66.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.466 -0.334 . . . . 10.0 111.363 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -96.88 124.66 40.92 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.051 -0.722 . . . . 10.0 109.051 178.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 27.0 p -142.81 176.01 9.38 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.617 0.599 . . . . 10.0 112.617 -178.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -149.19 119.79 7.47 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-N 114.911 -1.04 . . . . 10.0 108.888 178.433 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 146' ' ' ALA . . . . . 0.457 ' N ' ' O6 ' ' B' ' 201' ' ' GSP . . . -65.74 -38.59 89.54 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.951 0.405 . . . . 10.0 110.55 -179.365 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 17.9 ttpt -62.95 -31.52 72.63 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.619 -0.718 . . . . 10.0 112.001 -179.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.87 -14.1 30.24 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 112.938 0.718 . . . . 10.0 112.938 -178.553 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 3.1 tpm_? 59.15 39.0 23.49 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 121.64 0.733 . . . . 10.0 110.335 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -124.69 131.01 53.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.899 -0.591 . . . . 10.0 111.616 -179.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 77.88 -16.37 6.98 Favored Glycine 0 C--N 1.333 0.373 0 CA-C-N 115.894 -0.593 . . . . 10.0 114.117 178.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 45.2 t -60.93 -40.25 84.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 120.807 0.337 . . . . 10.0 111.769 -178.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -62.67 -39.57 94.35 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.596 -0.52 . . . . 10.0 109.596 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -70.1 -36.4 74.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.31 -0.859 . . . . 10.0 111.961 -178.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -56.57 -49.45 74.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.522 -0.308 . . . . 10.0 111.105 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -68.4 -38.8 81.62 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 116.123 -0.49 . . . . 10.0 110.344 179.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -58.34 -42.15 86.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.918 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 23.7 m -64.73 -41.61 95.82 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.725 -0.67 . . . . 10.0 111.62 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 36.0 tp -60.1 -42.56 94.93 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.928 0.394 . . . . 10.0 110.961 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 96.7 t -65.39 -40.47 88.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.209 0.528 . . . . 10.0 110.483 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 11.3 ttp180 -65.56 -33.61 76.32 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.653 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 162' ' ' GLU . . . . . 0.463 ' CD ' ' HZ1' ' B' ' 165' ' ' LYS . 12.1 mm-40 -65.84 -35.81 81.71 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.496 179.315 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 58.0 mt -65.94 -35.52 75.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.086 0.469 . . . . 10.0 110.058 178.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 14.7 mtt85 -67.75 -32.97 73.93 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.326 -0.62 . . . . 10.0 109.326 178.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 165' ' ' LYS . . . . . 0.463 ' HZ1' ' CD ' ' B' ' 162' ' ' GLU . 18.2 ttmt -69.22 -40.59 77.88 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 108.787 -0.82 . . . . 10.0 108.787 178.355 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -61.96 -47.86 82.95 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.342 -0.844 . . . . 10.0 110.641 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -79.44 24.08 0.37 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.919 0.711 . . . . 10.0 112.919 -178.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -141.2 -55.08 0.48 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.924 0.392 . . . . 10.0 110.311 179.118 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 32.7 mtpt -71.14 -22.26 62.09 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.384 -179.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 7.0 ttt -85.74 -9.52 57.0 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.363 0.602 . . . . 10.0 110.292 179.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 4.5 m -86.86 11.38 13.49 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.363 0.601 . . . . 10.0 110.171 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 32.2 mtpt -140.26 -43.28 0.41 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.215 -0.902 . . . . 10.0 109.403 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 173' ' ' ASP . . . . . 0.408 ' CG ' ' HZ3' ' B' ' 177' ' ' LYS 0.357 3.3 p30 43.46 -104.51 0.07 Allowed 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 114.338 1.236 . . . . 10.0 114.338 -179.176 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . -129.87 33.67 2.91 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.754 -0.736 . . . . 10.0 111.869 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 175' ' ' LYS . . . . . 0.458 ' C ' ' H ' ' B' ' 177' ' ' LYS . 44.1 tptt 71.89 165.55 0.29 Allowed 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 122.905 0.482 . . . . 10.0 110.776 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 176' ' ' LYS . . . . . . . . . . . . . 24.3 tttm 78.12 -25.5 0.19 Allowed 'General case' 0 C--O 1.234 0.265 0 C-N-CA 122.935 0.494 . . . . 10.0 110.733 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 177' ' ' LYS . . . . . 0.458 ' H ' ' C ' ' B' ' 175' ' ' LYS . 4.9 ttpm? -130.99 170.02 15.04 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 108.792 -0.818 . . . . 10.0 108.792 178.493 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 41.3 pttt -176.82 111.59 0.09 Allowed 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.776 -0.453 . . . . 10.0 109.776 -179.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 179' ' ' LYS . . . . . . . . . . . . . 17.5 tptt -91.12 85.72 5.99 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.197 -0.601 . . . . 10.0 111.267 179.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 31.7 tptt -169.79 151.85 4.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.499 -0.773 . . . . 10.0 109.96 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 1.4 m -92.48 -135.98 0.16 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.499 -0.319 . . . . 10.0 111.097 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp 70.42 86.5 0.12 Allowed 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.088 0.555 . . . . 10.0 112.074 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 6.4 t -97.06 163.03 13.11 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.951 -0.568 . . . . 10.0 111.353 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 184' ' ' LYS . . . . . . . . . . . . . 23.9 ttpp . . . . . 0 C--N 1.328 -0.358 0 CA-C-O 121.357 0.598 . . . . 10.0 111.741 -179.112 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 CA--C 1.529 0.172 0 CA-C-O 120.732 0.301 . . . . 10.0 110.892 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.63 126.74 31.51 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 116.577 -0.283 . . . . 10.0 110.296 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -90.09 135.13 33.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.773 0.32 . . . . 10.0 111.013 -179.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -131.43 114.74 15.32 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.132 -0.485 . . . . 10.0 109.826 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 58.5 mttm -85.39 112.23 20.65 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.907 0.384 . . . . 10.0 110.915 -179.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 13.7 mt -116.6 129.87 56.41 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.979 -178.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 39.3 t -120.33 130.0 74.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.346 -0.388 . . . . 10.0 110.456 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 3.1 t -95.98 119.69 44.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 109.33 -0.619 . . . . 10.0 109.33 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 29.6 m -120.19 149.72 22.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.9 0.381 . . . . 10.0 111.136 -179.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 153.79 161.47 10.42 Favored Glycine 0 N--CA 1.448 -0.539 0 CA-C-N 115.703 -0.68 . . . . 10.0 111.759 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.52 155.16 22.73 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.015 0.436 . . . . 10.0 111.002 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.17 144.08 40.74 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.905 0.383 . . . . 10.0 110.803 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 97.88 -22.82 38.83 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.458 -0.877 . . . . 10.0 112.835 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 3.4 m -76.95 -17.43 14.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.78 0.29 . . . . 10.0 111.75 -179.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 98.64 118.97 4.05 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.416 -0.897 . . . . 10.0 112.378 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 17.7 mtmm -151.81 -49.47 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.232 0.539 . . . . 10.0 109.832 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 17' ' ' SER . . . . . 0.465 ' N ' ' O1A' ' C' ' 201' ' ' GSP . 0.1 OUTLIER -68.08 -43.97 77.35 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 115.71 -0.677 . . . . 10.0 110.034 179.616 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.44 -41.76 85.81 Favored 'General case' 0 CA--C 1.528 0.103 0 CA-C-N 116.222 -0.445 . . . . 10.0 110.793 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 78.6 mt -57.6 -46.65 83.8 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 121.28 0.562 . . . . 10.0 110.34 178.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 5.3 m -70.36 -43.51 70.03 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.458 -0.792 . . . . 10.0 111.024 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 92.5 mt -62.04 -31.72 52.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.276 -0.42 . . . . 10.0 111.056 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -63.87 -17.49 63.22 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.165 0.431 . . . . 10.0 112.165 179.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 17.6 tp -104.97 -30.06 10.05 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.22 -0.445 . . . . 10.0 110.216 179.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 41.6 mm -80.29 -66.02 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.068 -0.515 . . . . 10.0 110.914 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -91.34 -10.65 40.51 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.198 -0.455 . . . . 10.0 110.495 -179.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 56.2 m-80 60.05 51.56 5.72 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.099 -0.955 . . . . 10.0 113.415 178.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 3.2 p80 -156.25 155.18 31.91 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.755 -0.202 . . . . 10.0 111.345 178.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -94.39 119.43 33.12 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.976 0.417 . . . . 10.0 111.871 -179.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 44.2 t -92.71 99.69 10.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.596 -0.729 . . . . 10.0 109.47 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -77.19 -28.19 53.88 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.061 -0.518 . . . . 10.0 111.794 -179.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -76.41 106.62 8.14 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.352 -0.385 . . . . 10.0 110.422 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -58.85 119.43 7.17 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.101 0.477 . . . . 10.0 111.629 -179.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . 0.446 ' O ' ' S1G' ' C' ' 201' ' ' GSP . 36.2 t70 -131.81 111.54 14.73 Favored Pre-proline 0 C--N 1.32 -0.696 0 CA-C-N 115.824 -0.625 . . . . 10.0 109.944 178.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -48.51 137.71 25.32 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 123.352 2.701 . . . . 10.0 112.699 -179.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.64 95.15 3.42 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.718 -0.673 . . . . 10.0 110.326 -179.659 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 4.5 tt -75.68 -37.63 36.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.898 -0.592 . . . . 10.0 111.501 -179.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -155.4 114.42 3.57 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.253 -0.43 . . . . 10.0 110.31 -179.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -158.73 125.37 4.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.501 -0.318 . . . . 10.0 110.241 179.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 1.3 p -119.83 137.33 54.05 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.014 0.435 . . . . 10.0 111.407 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -118.32 143.87 46.28 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.0 -0.546 . . . . 10.0 109.852 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -117.81 132.31 56.46 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.459 -0.337 . . . . 10.0 110.336 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 59.0 tttp -146.7 135.87 22.62 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.758 -179.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -108.89 118.39 36.66 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.28 -0.637 . . . . 10.0 109.28 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 15.1 m -133.98 162.68 38.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.915 0.388 . . . . 10.0 111.777 -179.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 84.8 t -93.61 112.35 26.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.246 -0.434 . . . . 10.0 110.119 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 71.9 mt -124.99 124.1 66.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 109.708 -0.478 . . . . 10.0 109.708 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 63.68 25.74 14.33 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 123.581 0.551 . . . . 10.0 111.453 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 79.28 22.38 65.33 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.886 -0.673 . . . . 10.0 112.142 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -136.81 130.33 31.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.472 0.177 . . . . 10.0 110.642 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.27 117.23 11.57 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.406 -0.59 . . . . 10.0 109.406 178.749 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 4.4 m -113.43 135.66 53.64 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.503 -0.317 . . . . 10.0 111.555 -178.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 63.3 tp -98.37 104.13 16.14 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 107.513 -1.291 . . . . 10.0 107.513 178.113 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 52.3 mt -91.3 126.8 36.49 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 113.023 0.749 . . . . 10.0 113.023 -177.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -107.91 93.93 4.8 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 107.021 -1.474 . . . . 10.0 107.021 177.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 1.8 mp -100.47 129.65 50.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.315 -0.402 . . . . 10.0 111.796 -177.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 8.9 tp -122.44 128.16 50.55 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.82 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -96.73 132.73 42.12 Favored 'General case' 0 CA--C 1.519 -0.227 0 N-CA-C 108.761 -0.829 . . . . 10.0 108.761 178.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 30.4 p -111.09 154.44 24.25 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.905 0.383 . . . . 10.0 110.518 -179.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -78.6 130.5 35.99 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.104 0.478 . . . . 10.0 110.637 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -92.0 27.04 10.72 Favored Glycine 0 N--CA 1.447 -0.603 0 N-CA-C 111.138 -0.785 . . . . 10.0 111.138 179.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -77.02 -7.96 56.58 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 122.426 0.29 . . . . 10.0 111.043 -179.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 62' ' ' GLU . . . . . 0.445 ' CD ' HH12 ' C' ' 68' ' ' ARG . 16.6 mm-40 67.98 -170.17 0.19 Allowed 'General case' 0 C--O 1.234 0.265 0 O-C-N 123.782 0.676 . . . . 10.0 110.677 -178.304 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 63.16 39.82 9.47 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-O 121.374 0.607 . . . . 10.0 110.348 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -128.79 45.05 2.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.371 -0.831 . . . . 10.0 108.838 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -52.69 -39.01 61.54 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.889 -1.051 . . . . 10.0 113.075 -178.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -97.69 -35.34 10.6 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.211 0.448 . . . . 10.0 112.211 -179.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 23.3 ttt -60.74 -34.07 73.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.402 -0.363 . . . . 10.0 111.341 -179.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 68' ' ' ARG . . . . . 0.445 HH12 ' CD ' ' C' ' 62' ' ' GLU . 3.1 tpp180 -59.91 -45.85 91.24 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.886 0.374 . . . . 10.0 111.439 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -56.55 -35.38 68.07 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.565 -0.743 . . . . 10.0 112.192 -179.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -59.09 -57.1 14.55 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 112.471 0.545 . . . . 10.0 112.471 -179.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 71' ' ' TYR . . . . . . . . . . . . . 14.5 p90 -78.34 -27.98 47.14 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 113.231 0.826 . . . . 10.0 113.231 -178.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 47.7 mtt -65.8 -27.65 68.42 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.41 0.624 . . . . 10.0 111.022 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 6.4 ttm180 -81.58 -16.84 50.36 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.709 -0.678 . . . . 10.0 110.646 179.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 13.5 m -98.11 -48.53 5.08 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.475 0.546 . . . . 10.0 112.475 -179.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -62.17 149.9 47.13 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 121.233 -0.508 . . . . 10.0 113.954 -179.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -102.86 -55.23 2.47 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.818 -0.438 . . . . 10.0 109.818 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -106.17 123.05 7.3 Favored Glycine 0 N--CA 1.443 -0.874 0 N-CA-C 111.109 -0.796 . . . . 10.0 111.109 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 78' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -107.16 130.71 54.67 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.135 0.493 . . . . 10.0 111.291 -179.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 7.2 tp -99.69 113.49 25.99 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.256 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 3.7 m -88.73 103.89 16.38 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.076 -0.511 . . . . 10.0 109.661 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 18.8 t -106.3 137.4 36.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.292 0.567 . . . . 10.0 111.751 -178.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -143.55 160.57 40.38 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.528 -0.76 . . . . 10.0 108.95 178.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -96.31 134.17 39.77 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.889 -0.325 . . . . 10.0 110.129 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 84' ' ' ILE . . . . . . . . . . . . . 18.8 pt -60.86 -22.05 25.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 112.267 0.469 . . . . 10.0 112.267 -179.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -108.47 23.83 13.94 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.254 0.55 . . . . 10.0 110.716 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 40.9 t-20 -139.76 96.29 3.05 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.78 -0.645 . . . . 10.0 110.012 179.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 4.8 m -64.96 -32.45 74.18 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.844 -0.616 . . . . 10.0 111.446 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 19.9 tptp -56.49 -48.38 77.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.259 -0.428 . . . . 10.0 110.721 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 56.9 p -64.25 -31.52 72.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.869 -0.605 . . . . 10.0 111.53 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -68.68 -42.75 77.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.999 0.428 . . . . 10.0 110.251 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -65.94 -36.36 83.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.769 -0.65 . . . . 10.0 110.392 179.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.19 -25.92 68.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.481 -0.781 . . . . 10.0 112.079 -179.592 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 40.8 mm -55.19 -42.75 67.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 O-C-N 123.257 0.348 . . . . 10.0 110.702 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -60.58 -49.84 75.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.217 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -60.22 -46.98 87.9 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.878 -0.601 . . . . 10.0 111.5 -179.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -60.89 -43.07 99.01 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.614 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 15.1 ttt-85 -61.43 -47.41 85.87 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.249 -0.432 . . . . 10.0 111.05 -179.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -64.0 -38.18 90.15 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.197 -0.456 . . . . 10.0 111.646 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -66.39 -43.28 86.27 Favored 'General case' 0 C--N 1.331 -0.198 0 O-C-N 123.151 0.282 . . . . 10.0 110.765 179.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 84.6 mt -56.44 -46.14 82.02 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 CA-C-O 121.065 0.46 . . . . 10.0 109.883 179.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? -66.26 -28.36 68.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.626 -0.715 . . . . 10.0 111.713 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? -76.74 -40.05 49.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.17 0.51 . . . . 10.0 109.997 179.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 72.1 t -67.05 -47.57 81.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.067 -0.515 . . . . 10.0 111.038 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -80.31 -13.05 59.5 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.286 -0.416 . . . . 10.0 111.551 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 31.2 t0 58.58 45.56 16.01 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.763 -0.653 . . . . 10.0 111.123 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 7.4 t -148.9 154.52 39.56 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.815 -0.63 . . . . 10.0 110.085 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -98.03 -15.34 20.09 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.117 0.484 . . . . 10.0 110.431 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -106.9 96.41 6.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.758 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 46.9 t -129.77 128.47 22.98 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 115.847 -0.615 . . . . 10.0 109.655 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -64.97 112.4 2.01 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.741 2.294 . . . . 10.0 111.478 179.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 111' ' ' MET . . . . . . . . . . . . . 44.5 mtm -138.79 152.79 48.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.397 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 88.5 t -133.21 130.75 57.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.032 -0.531 . . . . 10.0 109.84 179.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 30.0 tp -90.0 122.47 33.04 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.586 -0.524 . . . . 10.0 109.586 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 93.0 t -125.75 129.97 72.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.041 0.448 . . . . 10.0 111.703 -178.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -102.83 107.72 3.15 Favored Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 110.228 -1.149 . . . . 10.0 110.228 178.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -87.42 162.19 17.44 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-O 120.841 0.353 . . . . 10.0 111.631 -178.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 86.0 mttt 64.4 34.81 10.11 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.42 -0.809 . . . . 10.0 111.726 179.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 118' ' ' CYS . . . . . . . . . . . . . 1.6 m -67.63 -8.9 38.45 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.277 -0.419 . . . . 10.0 112.074 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -91.32 5.06 50.72 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.499 -0.318 . . . . 10.0 110.819 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 33.2 mt -91.09 145.44 31.65 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 116.344 -0.389 . . . . 10.0 110.697 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -84.62 164.27 12.32 Favored 'Trans proline' 0 N--CA 1.46 -0.445 0 C-N-CA 122.617 2.212 . . . . 10.0 111.548 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 18.4 m 57.93 56.5 4.67 Favored 'General case' 0 C--O 1.233 0.199 0 O-C-N 123.828 0.705 . . . . 10.0 111.836 179.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 5.7 ptp180 -68.73 141.1 55.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.821 -0.627 . . . . 10.0 110.822 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -93.27 -39.31 11.05 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.972 -179.513 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 46.7 t -94.73 129.43 44.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.929 0.395 . . . . 10.0 110.386 179.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -84.51 150.51 25.21 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.186 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 7.0 m -67.82 -35.21 78.21 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.602 -0.272 . . . . 10.0 111.024 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -50.66 73.24 Favored 'General case' 0 C--O 1.227 -0.094 0 CA-C-N 116.352 -0.386 . . . . 10.0 111.494 -179.574 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -63.68 -35.85 81.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.732 0.301 . . . . 10.0 111.498 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.7 -39.4 84.38 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.052 0.453 . . . . 10.0 109.861 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -72.05 -44.03 63.99 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.924 -0.58 . . . . 10.0 111.115 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -60.27 -39.71 87.78 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.655 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 26.8 tp -67.99 -44.3 76.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 10.0 109.96 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.79 -32.74 74.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.673 -0.694 . . . . 10.0 110.192 179.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -58.0 -48.58 79.61 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.552 -0.749 . . . . 10.0 110.633 179.379 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 13.1 m -73.29 -22.89 60.25 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.941 -0.572 . . . . 10.0 111.318 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 7.4 m-30 -80.14 -27.03 39.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.238 0.542 . . . . 10.0 109.827 179.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 85.03 19.29 59.5 Favored Glycine 0 C--N 1.32 -0.347 0 N-CA-C 111.275 -0.73 . . . . 10.0 111.275 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 39.2 pt -117.21 157.93 45.77 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 115.845 -0.178 . . . . 10.0 110.594 -179.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -85.7 159.62 10.61 Favored 'Trans proline' 0 N--CA 1.462 -0.344 0 C-N-CA 122.532 2.155 . . . . 10.0 112.411 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -125.25 132.14 53.0 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.148 -0.478 . . . . 10.0 109.769 179.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 19.6 mt -128.72 139.29 52.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.444 -0.343 . . . . 10.0 110.703 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -98.39 128.23 44.69 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.727 -0.842 . . . . 10.0 108.727 178.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 41.9 p -133.41 -177.28 4.46 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.717 0.77 . . . . 10.0 112.887 -178.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 5.6 t -167.94 116.31 0.75 Allowed 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 107.208 -1.404 . . . . 10.0 107.208 179.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 146' ' ' ALA . . . . . 0.433 ' N ' ' O6 ' ' C' ' 201' ' ' GSP . . . -72.18 -22.41 61.29 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.497 -0.557 . . . . 10.0 109.497 179.757 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -65.65 -43.65 88.78 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.389 -0.823 . . . . 10.0 111.29 179.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 12.6 p -100.83 -17.48 16.86 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.508 -0.315 . . . . 10.0 111.761 -179.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 67.43 9.85 7.32 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-O 121.895 0.855 . . . . 10.0 110.751 -178.406 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -71.6 105.96 3.85 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.743 -1.117 . . . . 10.0 112.001 -178.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 86.79 4.22 82.68 Favored Glycine 0 CA--C 1.517 0.205 0 C-N-CA 120.933 -0.651 . . . . 10.0 114.188 178.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 72.2 t -62.32 -43.22 97.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 117.207 0.503 . . . . 10.0 111.432 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.66 -29.14 68.35 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.321 -0.4 . . . . 10.0 111.717 -179.354 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -58.34 -34.78 71.02 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.825 0.345 . . . . 10.0 110.925 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.75 -39.3 91.11 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.115 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -69.7 -45.52 68.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.275 179.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 55.2 m-85 -58.29 -49.33 77.51 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.327 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 43.4 m -66.52 -40.21 89.06 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.38 -0.827 . . . . 10.0 112.188 -179.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 16.8 tp -59.68 -42.93 94.02 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.976 0.417 . . . . 10.0 110.751 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 92.1 t -68.05 -36.43 75.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.043 178.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 28.2 ttp-105 -62.13 -37.47 85.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.715 -0.675 . . . . 10.0 110.822 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -64.34 -45.14 89.15 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.189 -0.459 . . . . 10.0 110.311 179.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 65.6 mt -63.28 -39.87 86.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.126 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 46.1 mtt85 -60.8 -47.7 85.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.326 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 44.2 mtmt -60.58 -38.02 83.24 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 120.971 0.415 . . . . 10.0 110.514 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -65.04 -23.67 67.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.365 -0.834 . . . . 10.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -110.26 17.29 21.07 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.184 -0.462 . . . . 10.0 111.321 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -125.32 -71.15 0.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.713 178.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -60.21 -33.61 72.48 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 121.099 0.476 . . . . 10.0 110.959 -179.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 87.3 mmm -82.06 -21.51 36.84 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.757 -0.656 . . . . 10.0 112.25 -178.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 43.0 m -73.19 -2.11 20.34 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.089 0.471 . . . . 10.0 112.132 -179.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 62.9 mtpt -95.61 23.95 5.68 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.196 -0.456 . . . . 10.0 109.846 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 173' ' ' ASP . . . . . . . . . . . . 0.286 1.7 p30 50.39 -98.81 0.06 Allowed 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 114.103 1.149 . . . . 10.0 114.103 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . 148.85 146.55 4.35 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.189 -1.005 . . . . 10.0 113.185 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 175' ' ' LYS . . . . . 0.632 ' HZ2' ' C3 ' ' C' ' 215' ' ' 17F . 15.2 ptpt -78.92 -173.41 3.51 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.506 -0.347 . . . . 10.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 176' ' ' LYS . . . . . . . . . . . . . 39.9 mtpt 73.25 -78.86 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 113.513 0.931 . . . . 10.0 113.513 178.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 177' ' ' LYS . . . . . . . . . . . . . 8.4 ttmm -101.71 -15.54 16.96 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.024 0.379 . . . . 10.0 112.024 -178.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 178' ' ' LYS . . . . . . . . . . . . . 56.0 mttt 64.91 103.95 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 121.255 0.55 . . . . 10.0 111.414 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 179' ' ' LYS . . . . . . . . . . . . . 47.1 mmtt -69.24 -56.7 6.81 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.238 0.458 . . . . 10.0 112.238 -179.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 180' ' ' LYS . . . . . . . . . . . . . 31.6 mmtm -143.48 120.88 11.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.012 0.434 . . . . 10.0 111.347 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.32 105.29 17.52 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.145 179.32 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 182' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -113.28 132.38 55.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.442 -0.345 . . . . 10.0 110.194 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 2.8 t -54.62 125.77 21.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 123.666 0.604 . . . . 10.0 111.64 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 184' ' ' LYS . . . . . 0.542 ' H ' ' C6 ' ' C' ' 205' ' ' PCW . 82.8 mttt . . . . . 0 N--CA 1.465 0.319 0 CA-C-N 116.586 -0.279 . . . . 10.0 111.263 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 401' ' ' PCW . . . . . 0.591 ' C7 ' ' O31' ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 402' ' ' PCW . . . . . 0.481 ' C35' ' C31' ' A' ' 402' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 403' ' ' PCW . . . . . 0.781 ' C23' ' C28' ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 404' ' ' PCW . . . . . 0.711 ' O31' ' C35' ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 405' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 406' ' ' PCW . . . . . 0.508 ' O3P' ' O31' ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 407' ' ' PCW . . . . . 0.717 ' C21' ' C17' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 408' ' ' PCW . . . . . 0.566 ' C4 ' ' C3 ' ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 409' ' ' PCW . . . . . 0.791 ' C14' ' C19' ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 410' ' ' PCW . . . . . 0.58 ' C33' ' C12' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 411' ' ' PCW . . . . . 0.497 ' C31' ' O3 ' ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 412' ' ' PCW . . . . . 0.415 ' O31' ' O3 ' ' A' ' 412' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 413' ' ' PCW . . . . . 0.566 ' C3 ' ' C4 ' ' A' ' 408' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 414' ' ' PCW . . . . . 0.635 ' C18' ' C14' ' A' ' 414' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 415' ' ' 17F . . . . . 0.451 ' C2 ' ' O1 ' ' A' ' 415' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 416' ' ' 17F . . . . . 0.469 ' O10' ' O6 ' ' A' ' 416' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 417' ' ' PCW . . . . . 0.484 ' C19' ' C43' ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 418' ' ' PCW . . . . . 0.561 ' C6 ' ' O4P' ' A' ' 418' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 419' ' ' PCW . . . . . 0.595 ' C8 ' ' O31' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 420' ' ' PCW . . . . . 0.6 ' C37' ' C43' ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 421' ' ' PCW . . . . . 0.529 ' O3P' ' O31' ' A' ' 421' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 422' ' ' 17F . . . . . 0.606 ' C6 ' ' C14' ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 601' ' ' PCW . . . . . 0.649 ' C42' ' C46' ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 602' ' ' PCW . . . . . 0.572 ' C6 ' ' O4P' ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 603' ' ' PCW . . . . . 0.637 ' O2 ' ' O1P' ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 604' ' ' PCW . . . . . 0.623 ' O3 ' ' O31' ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 605' ' ' PCW . . . . . 0.697 ' O31' ' P ' ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 606' ' ' PCW . . . . . 0.594 ' C14' ' C18' ' D' ' 606' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 607' ' ' PCW . . . . . 0.589 ' C11' ' O31' ' D' ' 607' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 608' ' ' PCW . . . . . 0.426 ' C19' ' C26' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 609' ' ' PCW . . . . . 0.471 ' C11' ' O31' ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 610' ' ' PCW . . . . . 0.625 ' C20' ' C24' ' D' ' 610' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 611' ' ' PCW . . . . . 0.46 ' C35' ' C22' ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 612' ' ' PCW . . . . . 0.536 ' O11' ' C6 ' ' D' ' 620' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 613' ' ' PCW . . . . . 0.514 ' C2 ' ' O11' ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 614' ' ' PCW . . . . . 0.552 ' C36' ' C18' ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 615' ' ' PCW . . . . . 0.657 ' C46' ' C42' ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 616' ' ' PCW . . . . . 0.549 ' C5 ' ' O5 ' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 617' ' ' PCW . . . . . 0.607 ' C34' ' C34' ' C' ' 216' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 618' ' ' PCW . . . . . 0.629 ' C23' ' C27' ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 619' ' ' PCW . . . . . 0.448 ' C16' ' C39' ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 620' ' ' PCW . . . . . 0.536 ' C6 ' ' O11' ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 621' ' ' PCW . . . . . 0.57 ' O1P' ' C4 ' ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 622' ' ' PCW . . . . . 0.606 ' C14' ' C6 ' ' A' ' 422' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 623' ' ' PCW . . . . . 0.72 ' C32' ' C36' ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 624' ' ' PCW . . . . . 0.636 ' C24' ' C20' ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 625' ' ' PCW . . . . . 0.638 ' O1P' ' C5 ' ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 626' ' ' PCW . . . . . 0.646 ' C23' ' C27' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 627' ' ' PCW . . . . . 0.632 ' C20' ' C35' ' C' ' 217' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 628' ' ' 17F . . . . . 0.616 ' C7 ' ' O10' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 629' ' ' 17F . . . . . 0.58 ' O10' ' O7 ' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 630' ' ' 17F . . . . . 0.495 ' O4 ' ' C8 ' ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 631' ' ' 17F . . . . . 0.57 ' O10' ' O7 ' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 632' ' ' 17F . . . . . 0.549 ' O5 ' ' C5 ' ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 201' ' ' GSP . . . . . 0.647 ' O2B' ' O3G' ' B' ' 201' ' ' GSP . . . . . . . . 0 O4'--C1' 1.438 1.977 2 O4'-C1'-N19 112.927 4.727 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 202' ' ' ' MG' . . . . . 0.594 'MG ' ' O3G' ' B' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 203' ' ' PCW . . . . . 0.555 ' C11' ' O31' ' B' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 204' ' ' PCW . . . . . 0.633 ' C23' ' C27' ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 205' ' ' PCW . . . . . 0.626 ' C21' ' C25' ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 206' ' ' PCW . . . . . 0.575 ' C3 ' ' O1P' ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 207' ' ' PCW . . . . . 0.638 ' O1P' ' C3 ' ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 208' ' ' PCW . . . . . 0.587 ' C43' ' C47' ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 209' ' ' 17F . . . . . 0.693 ' C31' ' C19' ' B' ' 209' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 210' ' ' 17F . . . . . 0.533 ' C23' ' C12' ' B' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 211' ' ' 17F . . . . . 0.627 ' C17' ' C7 ' ' B' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 201' ' ' GSP . . . . . 0.766 ' O2A' ' S1G' ' C' ' 201' ' ' GSP . . . . . . . . 0 O4'--C1' 1.437 1.91 2 O4'-C1'-N19 113.098 4.898 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 202' ' ' ' MG' . . . . . 0.616 'MG ' ' O3G' ' C' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 203' ' ' PCW . . . . . 0.575 ' C21' ' C25' ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 204' ' ' PCW . . . . . 0.698 ' O1P' ' C3 ' ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 205' ' ' PCW . . . . . 0.542 ' C6 ' ' H ' ' C' ' 184' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 206' ' ' PCW . . . . . 0.554 ' C15' ' C15' ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 207' ' ' PCW . . . . . 0.638 ' O1P' ' C3 ' ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 208' ' ' PCW . . . . . 0.558 ' O3 ' ' O31' ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 209' ' ' PCW . . . . . 0.658 ' C22' ' C26' ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 210' ' ' PCW . . . . . 0.638 ' C26' ' C22' ' C' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 211' ' ' PCW . . . . . 0.584 ' O31' ' O3P' ' C' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 212' ' ' PCW . . . . . 0.66 ' C20' ' C24' ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 213' ' ' 17F . . . . . 0.546 ' O7 ' ' O10' ' C' ' 213' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 214' ' ' 17F . . . . . 0.521 ' O10' ' C7 ' ' C' ' 214' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 215' ' ' 17F . . . . . 0.66 ' HN1' ' C4 ' ' C' ' 215' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 216' ' ' PCW . . . . . 0.607 ' C34' ' C34' ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 217' ' ' PCW . . . . . 0.632 ' C35' ' C20' ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 218' ' ' 17F . . . . . 0.736 ' O7 ' ' C18' ' C' ' 218' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 219' ' ' 17F . . . . . 0.527 ' C1Z' ' C14' ' C' ' 217' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 44.4 mt . . . . . 0 CA--C 1.521 -0.138 0 CA-C-O 120.946 0.403 . . . . 10.0 110.454 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 5.3 tmtm? -64.15 -44.53 91.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.823 -0.626 . . . . 10.0 111.111 -179.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 43.4 mt -67.64 -36.77 81.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.517 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 33.4 mt -68.51 -44.85 73.75 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.997 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -70.69 -44.19 67.47 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.342 -0.39 . . . . 10.0 111.763 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.4 -34.38 76.61 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.761 0.315 . . . . 10.0 110.38 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 67.9 t90 -65.49 -35.61 81.4 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 109.352 -0.61 . . . . 10.0 109.352 178.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -61.33 -45.26 95.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.644 -0.707 . . . . 10.0 110.323 179.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.56 -45.79 92.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.115 0.484 . . . . 10.0 110.151 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 94.5 t -59.99 -44.5 94.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.546 -0.752 . . . . 10.0 110.283 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 26.2 m -63.1 -39.97 96.26 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.869 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 15.7 m -63.18 -42.0 99.3 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 109.866 -0.42 . . . . 10.0 109.866 178.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 20.9 m -61.49 -51.81 67.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.05 -0.523 . . . . 10.0 109.687 178.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -56.74 -40.42 75.73 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.085 -0.507 . . . . 10.0 111.427 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 27.6 m -61.83 -50.09 73.66 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.356 -0.384 . . . . 10.0 110.617 179.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 19.3 mttt -62.97 -34.91 78.51 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-N 116.422 -0.354 . . . . 10.0 110.217 179.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.12 -44.05 93.4 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-N 115.905 -0.588 . . . . 10.0 109.795 178.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 6.1 mtp85 -64.94 -37.53 87.95 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.4 -0.364 . . . . 10.0 110.931 179.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -64.13 -35.78 81.87 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.286 178.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -81.53 -32.68 32.18 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 116.066 -0.515 . . . . 10.0 109.972 178.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 18.4 mt -56.23 -33.87 65.79 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.074 -0.512 . . . . 10.0 111.267 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -55.72 -70.2 1.04 Allowed Glycine 0 C--N 1.334 0.42 0 C-N-CA 120.642 -0.79 . . . . 10.0 111.283 178.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -53.06 -39.36 80.03 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.801 2.334 . . . . 10.0 111.347 178.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 31.8 t -58.74 -52.77 56.09 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 O-C-N 123.134 0.272 . . . . 10.0 111.444 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 7.6 p -64.47 -34.79 79.02 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.826 -0.35 . . . . 10.0 110.79 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -66.31 -43.87 85.02 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.77 -0.456 . . . . 10.0 109.77 178.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -65.83 -45.07 83.62 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.802 -0.635 . . . . 10.0 109.874 178.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -60.85 -46.01 92.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.546 178.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -64.36 -35.67 81.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.38 179.412 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -63.31 -47.46 82.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.962 -0.563 . . . . 10.0 109.75 179.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -70.84 -40.63 72.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.486 . . . . 10.0 111.253 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 20.6 mt -62.73 -38.5 90.75 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.506 179.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -67.25 -28.86 68.39 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.432 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 74.3 mttt -70.37 -36.79 74.35 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.172 -1.047 . . . . 10.0 108.172 177.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.75 -48.18 64.4 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.472 -0.786 . . . . 10.0 109.838 178.777 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -63.4 -35.68 81.2 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.401 -0.592 . . . . 10.0 109.401 178.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -59.24 -47.85 83.81 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 108.771 -0.826 . . . . 10.0 108.771 178.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -64.12 -40.48 98.13 Favored Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 110.677 -0.969 . . . . 10.0 110.677 178.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 58.6 mt -63.83 -33.9 76.73 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.604 0.24 . . . . 10.0 110.549 179.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 55.7 mtt180 -69.76 -39.93 76.4 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.797 -0.446 . . . . 10.0 109.797 179.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -69.45 -42.26 75.17 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.944 -0.761 . . . . 10.0 108.944 178.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -66.49 -22.12 66.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.185 -0.916 . . . . 10.0 110.937 179.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 46.3 ttm -64.65 -29.48 70.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.38 0.61 . . . . 10.0 109.483 178.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 1.8 m -80.11 7.76 8.56 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.362 -0.836 . . . . 10.0 110.522 179.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 40.3 mttm -127.69 -61.75 1.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.239 -1.023 . . . . 10.0 108.239 178.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 246' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -54.46 -59.42 4.71 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.914 -1.039 . . . . 10.0 112.003 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . 58.9 mt -79.56 -35.93 39.05 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.92 -179.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -63.01 -48.24 79.64 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 121.107 -0.237 . . . . 10.0 111.246 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -69.75 -33.7 72.8 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 111.639 0.237 . . . . 10.0 111.639 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 250' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -65.1 -28.12 43.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 C-N-CA 120.684 -0.407 . . . . 10.0 110.101 179.226 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -82.93 -42.2 17.94 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-O 121.357 0.599 . . . . 10.0 109.871 178.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -65.33 -32.18 73.7 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.924 -0.58 . . . . 10.0 109.738 179.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 70.4 mttt -90.24 -19.71 23.84 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.874 -0.603 . . . . 10.0 111.218 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 254' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -61.51 -31.08 49.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-O 120.728 0.299 . . . . 10.0 110.627 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -63.97 -62.32 5.43 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.124 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -67.46 -34.09 27.36 Favored 'Trans proline' 0 C--N 1.356 0.924 0 C-N-CA 121.968 1.779 . . . . 10.0 112.477 178.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 5.4 m-30 -63.25 -53.3 55.09 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.03 0.443 . . . . 10.0 110.522 179.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 31.2 mt -66.82 -39.29 87.65 Favored 'General case' 0 C--O 1.219 -0.532 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.181 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -57.03 -51.74 68.06 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 123.408 0.443 . . . . 10.0 111.756 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -58.74 -48.19 82.05 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.383 -0.372 . . . . 10.0 111.142 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -68.7 -35.53 77.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.916 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 -66.71 -41.76 87.44 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.041 -0.726 . . . . 10.0 109.041 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -61.65 -50.62 71.81 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.265 -0.88 . . . . 10.0 108.847 178.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 264' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -62.69 -39.8 95.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.411 -0.813 . . . . 10.0 110.874 179.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -63.31 -42.57 99.03 Favored 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 110.033 -0.358 . . . . 10.0 110.033 178.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -61.51 -45.1 95.63 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 108.818 -0.808 . . . . 10.0 108.818 178.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -60.59 -43.6 97.2 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.806 -0.634 . . . . 10.0 110.002 178.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -61.8 -41.59 97.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.824 -0.625 . . . . 10.0 110.539 179.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 79.6 mmm -67.5 -42.65 82.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.831 -0.622 . . . . 10.0 109.887 179.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -62.07 -44.66 96.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.997 0.427 . . . . 10.0 109.955 178.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 44.0 mt -63.9 -37.84 88.88 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.741 -0.663 . . . . 10.0 109.981 178.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -67.9 -34.91 77.55 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 115.672 -0.694 . . . . 10.0 109.948 178.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 72.2 mtt180 -75.65 -44.0 44.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.656 179.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -60.99 -25.75 67.09 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 116.002 -0.545 . . . . 10.0 109.95 179.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 275' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.22 -46.06 8.29 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.427 178.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 2.4 p -56.02 -32.85 34.46 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.158 0 N-CA-C 113.039 0.755 . . . . 10.0 113.039 -178.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -60.82 -62.31 6.23 Favored Pre-proline 0 CA--C 1.538 0.502 0 N-CA-C 112.018 0.377 . . . . 10.0 112.018 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -68.15 -35.92 18.25 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 121.705 1.603 . . . . 10.0 111.789 178.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 8.4 mt -61.16 -43.93 98.12 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 121.017 -0.273 . . . . 10.0 111.148 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 42.0 mtt180 -63.08 -33.91 76.46 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 109.851 -0.426 . . . . 10.0 109.851 179.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -69.12 -44.49 72.3 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.151 -0.477 . . . . 10.0 109.797 179.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -64.13 -48.01 77.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.917 -0.583 . . . . 10.0 109.775 178.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 77.8 mt -60.14 -39.37 86.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.757 -0.656 . . . . 10.0 109.855 178.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -64.73 -45.91 84.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.234 179.304 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -62.6 -47.47 83.63 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 109.568 -0.53 . . . . 10.0 109.568 178.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -60.4 -40.57 97.77 Favored Glycine 0 N--CA 1.443 -0.875 0 N-CA-C 111.052 -0.819 . . . . 10.0 111.052 179.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -67.07 -44.33 80.37 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.103 -0.332 . . . . 10.0 110.103 179.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 89.2 mtt180 -54.04 -53.11 57.54 Favored 'General case' 0 C--N 1.331 -0.199 0 O-C-N 123.462 0.476 . . . . 10.0 110.215 179.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 11.0 tm0? -63.06 -47.12 84.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.855 -0.611 . . . . 10.0 111.397 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 47.2 mttp -58.98 -42.99 91.3 Favored 'General case' 0 CA--C 1.522 -0.126 0 CA-C-O 120.884 0.373 . . . . 10.0 110.938 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 90.7 mt -68.08 -39.44 82.92 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.11 -0.496 . . . . 10.0 110.04 178.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 3.5 m170 -61.86 -43.92 97.87 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.026 178.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -60.24 -39.52 87.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.697 -0.683 . . . . 10.0 109.569 178.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 77.2 mt -67.17 -42.29 84.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.885 -0.598 . . . . 10.0 109.515 178.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -61.47 -33.18 73.32 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.057 -0.52 . . . . 10.0 110.449 178.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -63.46 -18.16 63.47 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 115.96 -0.563 . . . . 10.0 110.417 179.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -109.65 -32.7 7.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.37 179.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 66.9 mt -61.8 -28.85 69.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 10.0 111.282 179.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 299' ' ' SER . . . . . . . . . . . . . 7.0 m -79.22 -68.24 0.23 Allowed Pre-proline 0 CA--C 1.538 0.501 0 N-CA-C 112.668 0.618 . . . . 10.0 112.668 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 300' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.53 -52.24 1.12 Allowed 'Trans proline' 0 C--N 1.356 0.928 0 C-N-CA 121.972 1.781 . . . . 10.0 112.778 -179.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 94.3 mt -66.45 -27.8 68.09 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.839 0.352 . . . . 10.0 110.297 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -67.4 -49.84 48.58 Favored Glycine 0 N--CA 1.445 -0.755 0 N-CA-C 110.226 -1.149 . . . . 10.0 110.226 178.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -64.76 -41.3 96.0 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.858 -0.423 . . . . 10.0 109.858 178.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -61.55 -41.75 97.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.947 -0.57 . . . . 10.0 110.065 179.072 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 11.2 tpt -63.26 -39.23 94.01 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.479 -0.564 . . . . 10.0 109.479 179.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 58.6 mtt180 -68.06 -40.27 82.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.914 -0.584 . . . . 10.0 110.35 179.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -68.22 -42.96 79.0 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.208 -0.451 . . . . 10.0 109.863 179.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 25.6 mmt180 -65.31 -34.93 79.5 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.731 -0.84 . . . . 10.0 108.731 177.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -64.52 -38.45 91.04 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 108.943 -0.762 . . . . 10.0 108.943 178.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 310' ' ' ARG . . . . . . . . . . . . . 88.2 mtt180 -57.95 -48.25 80.52 Favored 'General case' 0 C--O 1.223 -0.302 0 N-CA-C 108.725 -0.843 . . . . 10.0 108.725 177.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -63.6 -39.53 94.62 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.619 -0.719 . . . . 10.0 110.314 179.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -59.22 -51.78 68.52 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 121.127 0.489 . . . . 10.0 109.703 179.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 45.1 t -70.06 -32.86 52.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.505 -0.77 . . . . 10.0 110.775 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -63.77 -48.35 77.3 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.156 0.503 . . . . 10.0 110.014 179.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -61.17 -37.63 83.58 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.529 -0.76 . . . . 10.0 109.299 178.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 75.7 mt -68.36 -43.74 76.76 Favored 'General case' 0 C--O 1.221 -0.402 0 CA-C-N 115.472 -0.786 . . . . 10.0 109.777 178.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 14.9 mtm105 -59.25 -44.01 92.41 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.785 0.326 . . . . 10.0 110.824 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 3.2 m -66.72 -24.35 66.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.6 -0.727 . . . . 10.0 111.469 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 14.6 m80 -93.2 -46.56 7.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.504 -0.317 . . . . 10.0 111.556 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 96.5 mt -60.71 -31.5 70.79 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.347 0.499 . . . . 10.0 112.347 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -58.2 -63.63 3.73 Favored Pre-proline 0 CA--C 1.536 0.407 0 N-CA-C 111.575 0.213 . . . . 10.0 111.575 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -67.87 -27.66 36.92 Favored 'Trans proline' 0 C--N 1.356 0.942 0 C-N-CA 121.495 1.463 . . . . 10.0 111.311 178.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -62.59 -48.96 77.16 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.284 179.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 10.8 p -69.36 -33.48 73.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.901 0.381 . . . . 10.0 110.005 179.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.85 -41.72 98.16 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 108.846 -0.798 . . . . 10.0 108.846 178.703 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . 0.426 ' CD ' ' HZ2' ' D' ' 451' ' ' LYS . 54.9 mt-10 -76.13 -33.1 59.42 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.572 -0.74 . . . . 10.0 109.938 178.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 16.3 mt -61.07 -35.26 76.47 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 108.952 -0.758 . . . . 10.0 108.952 178.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 84.5 mtt180 -60.57 -44.33 96.31 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.861 -0.792 . . . . 10.0 108.861 177.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -64.72 -44.3 90.66 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.809 -0.632 . . . . 10.0 109.624 178.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 29.6 mtt-85 -57.97 -54.06 51.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.553 -0.749 . . . . 10.0 110.457 179.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 30.8 mt -61.49 -43.47 98.81 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-N 115.99 -0.55 . . . . 10.0 111.173 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -60.49 -43.88 96.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.658 0.266 . . . . 10.0 110.57 179.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -61.52 -45.85 92.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.024 -0.534 . . . . 10.0 109.714 178.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 -62.8 -42.98 99.94 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.817 -0.628 . . . . 10.0 109.694 178.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 61.5 mt -64.06 -45.9 86.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.727 -0.67 . . . . 10.0 111.437 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -65.88 -41.98 90.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.424 -0.353 . . . . 10.0 111.417 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -65.52 -47.57 75.52 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.152 0.501 . . . . 10.0 109.655 178.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 49.2 mt -69.78 -14.6 62.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.035 -0.529 . . . . 10.0 111.116 178.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 31.7 tttt -82.69 -48.63 10.67 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.34 -0.615 . . . . 10.0 109.34 178.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -67.13 -46.16 74.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.106 0.479 . . . . 10.0 109.86 178.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -71.4 -36.46 71.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.995 -0.548 . . . . 10.0 109.851 179.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -62.96 -43.76 98.41 Favored Glycine 0 N--CA 1.45 -0.384 0 N-CA-C 111.297 -0.721 . . . . 10.0 111.297 179.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -61.66 -36.77 93.17 Favored Glycine 0 N--CA 1.452 -0.295 0 N-CA-C 111.18 -0.768 . . . . 10.0 111.18 178.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -67.59 -44.37 78.29 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.454 -0.572 . . . . 10.0 109.454 178.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 65.8 mtm180 -64.6 -37.78 88.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.6 -0.727 . . . . 10.0 110.343 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 72.5 mt -59.57 -54.33 47.72 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.469 -0.567 . . . . 10.0 109.469 178.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.77 -42.67 93.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.67 -0.695 . . . . 10.0 110.568 179.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -63.41 -47.03 83.66 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.112 -0.495 . . . . 10.0 111.027 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -61.6 -34.27 75.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.551 -0.295 . . . . 10.0 110.264 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 29.6 m-70 -65.67 -42.83 90.87 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.052 -0.721 . . . . 10.0 109.052 177.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -65.0 -41.87 94.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.383 -0.826 . . . . 10.0 109.657 179.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 34.4 mttm -62.84 -43.72 98.05 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.181 -0.674 . . . . 10.0 109.181 178.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -61.74 -38.21 87.11 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.709 -0.678 . . . . 10.0 109.394 178.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 29.1 m -61.68 -40.96 96.82 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.513 -0.551 . . . . 10.0 109.513 178.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -67.15 -44.34 80.04 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.132 -0.485 . . . . 10.0 109.876 178.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 27.3 m-70 -62.26 -39.66 93.62 Favored 'General case' 0 C--O 1.226 -0.164 0 CA-C-N 115.687 -0.688 . . . . 10.0 110.949 179.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 83.5 mt -68.8 -38.06 79.7 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.287 -0.415 . . . . 10.0 111.041 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 41.4 m -64.22 -45.67 87.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.432 . . . . 10.0 110.367 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 1.2 p -73.53 -28.9 62.13 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.19 179.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 56.7 tp -63.65 -30.44 71.55 Favored 'General case' 0 CA--C 1.521 -0.158 0 N-CA-C 109.243 -0.651 . . . . 10.0 109.243 178.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 49.0 m -61.99 -32.6 73.08 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.882 -0.599 . . . . 10.0 109.64 178.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -67.87 -26.54 66.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.12 0.486 . . . . 10.0 110.313 178.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 363' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -90.42 -30.85 17.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.131 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -83.51 -24.49 31.67 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 113.06 0.763 . . . . 10.0 113.06 -178.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 85.1 mttt -110.98 -75.14 0.02 OUTLIER Pre-proline 0 CA--C 1.533 0.327 0 N-CA-C 112.841 0.682 . . . . 10.0 112.841 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -59.54 -55.31 1.84 Allowed 'Trans proline' 0 C--N 1.357 1.016 0 C-N-CA 122.206 1.938 . . . . 10.0 112.919 -179.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 367' ' ' ALA . . . . . . . . . . . . . . . -62.44 -45.65 92.12 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.764 0.283 . . . . 10.0 111.764 -179.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.64 -44.26 96.72 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.592 -0.276 . . . . 10.0 111.306 -179.738 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -63.66 -41.88 98.15 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.817 -0.438 . . . . 10.0 109.817 179.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -61.13 -41.46 96.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.296 -0.865 . . . . 10.0 109.631 179.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 85.4 mt -66.41 -42.21 88.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.611 -0.722 . . . . 10.0 110.275 178.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -62.87 -47.55 82.86 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.143 -0.48 . . . . 10.0 110.688 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -65.09 -21.63 66.84 Favored 'General case' 0 C--O 1.23 0.065 0 CA-C-N 116.043 -0.526 . . . . 10.0 111.139 179.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -89.46 -35.62 7.87 Favored Glycine 0 N--CA 1.449 -0.489 0 N-CA-C 111.58 -0.608 . . . . 10.0 111.58 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 36.4 mt -73.23 -29.6 62.89 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.605 0.224 . . . . 10.0 111.605 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 54.4 mt -54.68 -59.91 9.26 Favored Pre-proline 0 CA--C 1.536 0.425 0 N-CA-C 112.429 0.529 . . . . 10.0 112.429 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -61.14 -34.48 89.19 Favored 'Trans proline' 0 C--N 1.356 0.922 0 C-N-CA 121.813 1.675 . . . . 10.0 110.94 178.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 54.6 t -63.11 -44.54 99.53 Favored 'Isoleucine or valine' 0 C--O 1.231 0.126 0 N-CA-C 109.554 -0.536 . . . . 10.0 109.554 178.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 66.2 mt -64.37 -39.29 93.59 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.019 178.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -61.91 -43.12 99.49 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.899 -0.591 . . . . 10.0 110.461 178.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 2.3 p -70.92 -33.59 70.69 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.96 -0.385 . . . . 10.0 109.96 178.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -65.33 -34.9 79.41 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.027 179.006 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -60.27 -39.36 86.53 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 108.938 -0.764 . . . . 10.0 108.938 177.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 72.2 t -63.81 -40.53 89.39 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 N-CA-C 109.04 -0.726 . . . . 10.0 109.04 178.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 1.3 m -64.81 -43.25 93.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.734 -0.667 . . . . 10.0 109.994 179.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -66.67 -47.29 72.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.346 -0.388 . . . . 10.0 111.573 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 27.7 mt -58.34 -46.91 85.34 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.37 -0.377 . . . . 10.0 111.309 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 12.4 p -67.24 -44.17 80.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.6 -0.273 . . . . 10.0 110.906 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -57.6 -47.88 80.94 Favored 'General case' 0 CA--C 1.523 -0.081 0 CA-C-N 116.29 -0.413 . . . . 10.0 110.742 179.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 84.4 mt -56.02 -45.14 79.22 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.05 0.452 . . . . 10.0 110.153 179.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -63.77 -45.18 90.95 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.414 179.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -57.49 -48.19 79.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.922 0.392 . . . . 10.0 110.97 179.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -64.49 -39.36 93.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.98 -0.555 . . . . 10.0 111.485 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 11.7 m -70.21 -31.53 69.01 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.85 0.357 . . . . 10.0 111.254 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -77.76 -39.07 45.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.925 0.393 . . . . 10.0 111.956 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -85.09 -33.98 22.31 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 113.459 0.911 . . . . 10.0 113.459 -178.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 78.7 mt -94.77 -18.25 21.41 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.413 0.523 . . . . 10.0 112.413 -179.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 46.4 t30 . . . . . 0 C--N 1.328 -0.368 0 CA-C-O 120.616 0.245 . . . . 10.0 111.134 -179.82 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 3.2 mm? . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 121.244 0.545 . . . . 10.0 110.464 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -124.67 24.01 7.89 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.54 -0.755 . . . . 10.0 110.596 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 41.3 mt -74.59 -38.5 62.6 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.516 -0.766 . . . . 10.0 110.69 -179.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 36.5 mt -63.89 -38.46 91.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.87 -0.605 . . . . 10.0 110.316 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -69.13 -39.21 79.03 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.479 -0.782 . . . . 10.0 110.54 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -68.33 -45.76 72.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.685 -0.689 . . . . 10.0 110.431 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -61.58 -30.11 70.46 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.767 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -62.07 -48.88 78.22 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.618 -0.512 . . . . 10.0 109.618 178.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 1.2 m -62.53 -37.52 86.39 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.017 178.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 58.1 t -65.17 -37.42 80.14 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 N-CA-C 109.477 -0.564 . . . . 10.0 109.477 178.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 53.7 m -64.53 -38.5 91.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.957 -0.565 . . . . 10.0 109.752 178.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 5.1 m -62.12 -39.57 92.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.041 -0.527 . . . . 10.0 109.724 178.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 20.6 m -64.86 -42.42 94.89 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.083 -0.508 . . . . 10.0 109.687 178.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -64.48 -37.96 89.34 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.547 -0.538 . . . . 10.0 109.547 178.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 19.8 m -63.93 -40.25 96.03 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.234 -0.654 . . . . 10.0 109.234 178.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 46.0 mmtt -64.36 -35.98 82.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.998 -0.546 . . . . 10.0 109.945 178.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 95.6 mt -65.56 -39.27 91.48 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.148 -0.686 . . . . 10.0 109.148 178.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 77.2 mtt180 -68.84 -35.47 76.99 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.772 -0.649 . . . . 10.0 110.618 179.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -70.75 -20.21 62.65 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 121.256 0.55 . . . . 10.0 110.313 178.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -90.15 -49.51 6.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.573 -0.739 . . . . 10.0 109.69 178.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 59.6 mt -47.8 -47.37 31.02 Favored 'General case' 0 N--CA 1.461 0.11 0 CA-C-N 115.523 -0.762 . . . . 10.0 112.138 -179.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -52.05 -74.7 0.27 Allowed Glycine 0 CA--C 1.52 0.374 0 C-N-CA 121.273 -0.489 . . . . 10.0 112.998 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -55.15 -41.7 76.04 Favored 'Trans proline' 0 CA--C 1.531 0.357 0 C-N-CA 122.908 2.405 . . . . 10.0 112.343 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 31.5 t -60.46 -44.19 95.8 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 N-CA-C 112.623 0.601 . . . . 10.0 112.623 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 25.2 p -71.41 -34.46 70.37 Favored 'General case' 0 N--CA 1.462 0.17 0 C-N-CA 120.809 -0.357 . . . . 10.0 111.29 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -59.96 -50.67 72.84 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.67 -0.493 . . . . 10.0 109.67 179.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -73.06 -25.99 61.12 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.251 178.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -65.93 -41.78 90.93 Favored 'General case' 0 C--O 1.222 -0.368 0 N-CA-C 109.107 -0.701 . . . . 10.0 109.107 178.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 26.7 m0 -65.34 -37.74 88.0 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.53 -0.545 . . . . 10.0 109.53 178.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -65.6 -42.04 92.1 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.594 -0.891 . . . . 10.0 108.594 177.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -65.55 -40.56 92.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.654 -0.703 . . . . 10.0 109.738 178.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 48.4 mt -57.39 -42.92 83.15 Favored 'General case' 0 CA--C 1.517 -0.318 0 N-CA-C 109.378 -0.601 . . . . 10.0 109.378 178.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -65.8 -45.6 81.78 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.983 -0.553 . . . . 10.0 109.807 178.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 36.7 mttt -54.93 -44.86 74.65 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 109.577 -0.527 . . . . 10.0 109.577 178.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -67.57 -56.81 7.98 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.647 -0.706 . . . . 10.0 110.913 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 7.5 p -55.39 -53.35 57.3 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.755 0.65 . . . . 10.0 112.755 -178.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -60.68 -42.6 97.43 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-O 120.386 0.136 . . . . 10.0 110.793 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -62.26 -49.31 75.71 Favored Glycine 0 C--N 1.333 0.382 0 N-CA-C 110.99 -0.844 . . . . 10.0 110.99 179.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 84.1 mt -65.03 -32.02 73.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.556 0.217 . . . . 10.0 110.563 179.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 69.9 mtt180 -66.86 -32.31 73.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.563 -0.29 . . . . 10.0 110.888 179.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -64.81 -42.36 95.06 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 109.768 -0.456 . . . . 10.0 109.768 179.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.82 -25.32 37.86 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.451 178.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 47.9 mmm -74.59 -41.03 61.2 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.106 -0.497 . . . . 10.0 112.033 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 1.6 p -62.5 -42.91 99.82 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 108.911 -0.774 . . . . 10.0 108.911 178.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -63.42 -41.91 98.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.227 -0.897 . . . . 10.0 109.244 178.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -62.09 -50.13 73.16 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-N 115.415 -0.811 . . . . 10.0 110.224 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 97.6 mt -62.19 -46.39 89.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.872 -179.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 446' ' ' GLU . . . . . 0.434 ' CD ' ' HZ1' ' D' ' 449' ' ' LYS . 14.0 mm-40 -63.62 -46.84 83.89 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.777 0.322 . . . . 10.0 110.925 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 447' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -69.46 -25.42 64.07 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 109.813 -0.44 . . . . 10.0 109.813 179.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 1.2 t -65.52 -38.07 81.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 109.296 -0.631 . . . . 10.0 109.296 178.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 449' ' ' LYS . . . . . 0.434 ' HZ1' ' CD ' ' D' ' 446' ' ' GLU . 84.3 mttt -65.24 -33.5 76.14 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.905 -0.776 . . . . 10.0 108.905 178.359 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -84.95 1.5 47.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.925 -1.034 . . . . 10.0 110.649 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 451' ' ' LYS . . . . . 0.426 ' HZ2' ' CD ' ' A' ' 326' ' ' GLU . 35.4 mmtm -111.13 -47.67 3.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.147 179.478 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 72.3 t -57.47 -45.15 85.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.046 -0.525 . . . . 10.0 111.793 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -57.72 -61.23 7.71 Favored Pre-proline 0 CA--C 1.536 0.412 0 N-CA-C 112.973 0.731 . . . . 10.0 112.973 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_endo -63.37 -29.63 72.34 Favored 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 121.56 1.506 . . . . 10.0 111.579 178.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -67.91 -43.75 78.51 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.097 -0.705 . . . . 10.0 109.097 178.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 17.8 mt -68.74 -40.71 79.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.554 -0.748 . . . . 10.0 109.949 178.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -59.68 -51.43 69.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.471 179.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 458' ' ' ASP . . . . . 0.491 ' CG ' ' HZ2' ' D' ' 462' ' ' LYS . 34.8 t70 -64.9 -38.64 91.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.965 -0.562 . . . . 10.0 110.828 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 2.2 m-30 -66.72 -45.2 79.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.035 -0.529 . . . . 10.0 110.432 179.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -61.91 -35.0 77.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.382 -0.372 . . . . 10.0 110.508 179.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 58.8 mttt -61.94 -49.25 76.88 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 108.827 -0.805 . . . . 10.0 108.827 178.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 462' ' ' LYS . . . . . 0.491 ' HZ2' ' CG ' ' D' ' 458' ' ' ASP . 6.9 mtmm -65.38 -37.2 86.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.483 -0.781 . . . . 10.0 110.64 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 28.4 m0 -64.4 -40.75 96.41 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.362 -0.607 . . . . 10.0 109.362 178.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -64.62 -46.42 82.67 Favored 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 109.355 -0.609 . . . . 10.0 109.355 178.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 465' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -57.21 -51.86 67.65 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.171 178.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.75 -42.88 98.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.574 179.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 42.0 ttm -62.65 -41.95 99.34 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.957 0.408 . . . . 10.0 110.384 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -70.11 -32.13 70.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.065 0.46 . . . . 10.0 109.785 178.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 469' ' ' LEU . . . . . . . . . . . . . 47.6 mt -66.87 -36.28 81.95 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.143 -0.688 . . . . 10.0 109.143 178.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 19.4 m-30 -65.58 -32.24 73.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.312 0.577 . . . . 10.0 109.785 178.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 65.0 mtt180 -74.4 -23.51 58.97 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.586 -0.733 . . . . 10.0 110.707 179.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -101.04 -5.84 25.23 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.123 -0.489 . . . . 10.0 111.15 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 473' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -125.92 -74.9 0.59 Allowed 'General case' 0 C--O 1.221 -0.414 0 CA-C-N 116.446 -0.343 . . . . 10.0 111.272 -179.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 44.4 t -52.24 -45.14 43.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 112.603 0.594 . . . . 10.0 112.603 -179.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -59.43 -60.94 8.95 Favored Pre-proline 0 C--N 1.328 -0.365 0 N-CA-C 112.917 0.71 . . . . 10.0 112.917 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -63.5 -34.28 65.39 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 121.832 1.688 . . . . 10.0 111.67 178.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 29.1 mt -67.84 -25.69 65.67 Favored 'General case' 0 CA--C 1.52 -0.21 0 N-CA-C 109.98 -0.378 . . . . 10.0 109.98 178.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 12.8 mtt-85 -66.14 -30.16 70.59 Favored 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 108.336 -0.986 . . . . 10.0 108.336 178.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -81.81 -36.28 28.55 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.458 -0.792 . . . . 10.0 108.866 178.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.34 -48.57 81.19 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 108.316 -0.994 . . . . 10.0 108.316 177.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 94.3 mt -73.26 -22.64 60.34 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.207 -0.906 . . . . 10.0 110.008 178.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -67.27 -56.1 11.21 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 108.828 -0.804 . . . . 10.0 108.828 178.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.84 -31.06 71.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.791 -0.641 . . . . 10.0 109.595 178.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -67.14 -48.52 58.98 Favored Glycine 0 N--CA 1.449 -0.498 0 N-CA-C 110.363 -1.095 . . . . 10.0 110.363 178.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -65.57 -39.05 91.21 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 110.137 -0.319 . . . . 10.0 110.137 178.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -59.46 -47.32 85.93 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 109.525 -0.546 . . . . 10.0 109.525 178.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -65.36 -43.46 90.76 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-N 115.829 -0.623 . . . . 10.0 109.67 178.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -59.34 -46.16 89.37 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 123.347 0.405 . . . . 10.0 110.146 179.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 69.2 mt -64.6 -37.55 87.94 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.224 178.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -64.21 -46.85 82.06 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.384 -0.969 . . . . 10.0 108.384 178.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -57.55 -44.19 85.03 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 108.497 -0.927 . . . . 10.0 108.497 178.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 64.3 mt -63.0 -57.28 11.23 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 115.356 -0.838 . . . . 10.0 111.024 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -54.36 -40.55 68.22 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.856 0.36 . . . . 10.0 111.778 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -62.91 -17.18 61.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.677 -0.692 . . . . 10.0 111.463 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 495' ' ' LYS . . . . . . . . . . . . . 15.2 mttp -110.59 -30.73 7.5 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.266 -0.424 . . . . 10.0 110.541 179.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 98.6 mt -63.84 -33.15 75.04 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.199 -0.455 . . . . 10.0 111.421 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 497' ' ' SER . . . . . . . . . . . . . 11.8 m -69.77 -61.75 2.84 Favored Pre-proline 0 C--N 1.324 -0.507 0 C-N-CA 120.869 -0.332 . . . . 10.0 111.37 178.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 498' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -62.16 -46.46 12.7 Favored 'Trans proline' 0 C--N 1.356 0.926 0 C-N-CA 121.845 1.696 . . . . 10.0 111.921 179.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 499' ' ' LEU . . . . . . . . . . . . . 29.8 mt -68.24 -32.05 71.97 Favored 'General case' 0 CA--C 1.517 -0.314 0 C-N-CA 121.016 -0.274 . . . . 10.0 111.073 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -66.33 -46.94 74.73 Favored Glycine 0 N--CA 1.451 -0.351 0 N-CA-C 110.153 -1.179 . . . . 10.0 110.153 178.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -62.42 -39.55 93.66 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.206 -0.665 . . . . 10.0 109.206 178.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 502' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -67.21 -47.03 72.09 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.285 -0.87 . . . . 10.0 110.342 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 77.2 mmm -59.69 -40.0 86.42 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.781 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 61.8 mtt180 -68.94 -37.65 79.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.061 178.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.39 -37.14 80.1 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 109.343 -0.614 . . . . 10.0 109.343 178.583 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 506' ' ' ARG . . . . . . . . . . . . . 45.2 mtt180 -63.47 -45.54 90.31 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 107.425 -1.324 . . . . 10.0 107.425 177.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -60.38 -41.11 93.09 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 115.486 -0.779 . . . . 10.0 109.652 179.175 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 508' ' ' ARG . . . . . . . . . . . . . 77.8 mtt180 -59.86 -44.98 93.85 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.197 -0.668 . . . . 10.0 109.197 178.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -63.85 -35.08 79.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.634 -0.712 . . . . 10.0 110.832 179.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -74.67 -50.82 16.24 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.046 -0.524 . . . . 10.0 110.202 179.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 77.9 t -61.51 -44.42 98.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.403 -0.362 . . . . 10.0 110.723 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -63.75 -34.31 77.59 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 121.115 0.483 . . . . 10.0 110.224 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -68.65 -49.66 57.32 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.55 -0.907 . . . . 10.0 108.55 177.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 514' ' ' LEU . . . . . . . . . . . . . 91.7 mt -58.29 -25.62 62.04 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.77 -0.65 . . . . 10.0 111.212 179.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 515' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -62.73 -38.54 90.92 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-O 121.187 0.517 . . . . 10.0 110.034 178.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -100.3 -5.14 27.89 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.978 -0.555 . . . . 10.0 110.953 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 20.7 m170 -98.93 -44.81 6.2 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.114 -0.494 . . . . 10.0 112.096 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 84.0 mt -95.3 -47.72 6.2 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 113.235 0.828 . . . . 10.0 113.235 -177.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 519' ' ' ALA . . . . . . . . . . . . . . . -54.26 -59.02 11.18 Favored Pre-proline 0 CA--C 1.535 0.399 0 N-CA-C 113.676 0.991 . . . . 10.0 113.676 -178.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 520' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -62.32 -36.09 69.61 Favored 'Trans proline' 0 C--N 1.354 0.846 0 C-N-CA 121.772 1.648 . . . . 10.0 111.029 179.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -66.8 -32.99 74.63 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.583 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 67.1 m -65.84 -36.96 84.91 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.504 -0.554 . . . . 10.0 109.504 178.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -70.44 -34.97 73.06 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.214 -0.661 . . . . 10.0 109.214 178.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -68.84 -36.52 78.28 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 107.957 -1.127 . . . . 10.0 107.957 177.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 29.9 mt -65.85 -36.77 84.37 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.311 -0.859 . . . . 10.0 108.996 177.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 526' ' ' ARG . . . . . . . . . . . . . 77.9 mtt180 -58.93 -41.78 88.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.069 179.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -61.46 -45.17 95.37 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.189 0.519 . . . . 10.0 109.627 178.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 528' ' ' ARG . . . . . . . . . . . . . 89.5 mtt180 -66.55 -42.47 87.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.65 -0.705 . . . . 10.0 109.819 179.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 77.2 mt -64.75 -34.79 79.18 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.36 -0.382 . . . . 10.0 110.132 179.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -64.65 -42.65 95.27 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.587 -0.524 . . . . 10.0 109.587 178.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -72.08 -34.28 68.57 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-O 121.194 0.521 . . . . 10.0 109.981 178.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 16.5 ttm180 -67.53 -48.41 67.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.912 -0.586 . . . . 10.0 109.733 178.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 83.8 mt -68.81 -24.93 64.45 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.893 -0.594 . . . . 10.0 109.42 178.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -64.1 -46.05 85.92 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 108.244 -1.021 . . . . 10.0 108.244 178.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -64.3 -39.58 94.2 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.015 -0.735 . . . . 10.0 109.015 178.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 91.7 mt -66.19 -28.11 68.5 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.577 -0.738 . . . . 10.0 110.736 179.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 43.5 mtmt -81.94 -44.87 16.17 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.818 -0.438 . . . . 10.0 109.818 178.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -62.17 -56.05 22.6 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.861 -0.609 . . . . 10.0 109.863 179.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -70.05 -27.91 65.03 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.856 -0.611 . . . . 10.0 109.664 179.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -64.76 -44.58 94.6 Favored Glycine 0 N--CA 1.446 -0.655 0 N-CA-C 110.329 -1.108 . . . . 10.0 110.329 178.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -63.63 -37.44 94.74 Favored Glycine 0 N--CA 1.45 -0.384 0 N-CA-C 110.392 -1.083 . . . . 10.0 110.392 178.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -67.2 -42.72 83.69 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.351 -0.611 . . . . 10.0 109.351 178.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 49.6 mtt85 -60.11 -40.06 88.38 Favored 'General case' 0 C--O 1.222 -0.381 0 CA-C-N 115.418 -0.81 . . . . 10.0 109.978 178.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 87.8 mt -63.1 -43.87 97.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.802 0.334 . . . . 10.0 110.304 179.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -62.48 -45.58 92.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.981 -0.554 . . . . 10.0 109.565 178.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -63.87 -46.31 85.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.542 -0.754 . . . . 10.0 110.246 178.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -55.59 -44.84 77.3 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.317 -0.401 . . . . 10.0 110.271 179.44 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -66.03 -42.4 89.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.272 -0.422 . . . . 10.0 110.722 179.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -64.28 -45.49 87.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.805 -0.634 . . . . 10.0 110.211 179.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.62 -34.74 76.28 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.211 -0.449 . . . . 10.0 110.363 179.655 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -62.93 -44.67 95.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.186 179.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -67.06 -43.84 81.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.07 -0.513 . . . . 10.0 110.368 179.716 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -60.74 -48.59 81.12 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 109.584 -0.524 . . . . 10.0 109.584 178.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -59.05 -51.82 68.42 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.533 -0.758 . . . . 10.0 109.783 179.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 46.8 tp -57.81 -39.99 78.91 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.45 -0.341 . . . . 10.0 110.977 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 50.7 m -61.73 -46.63 88.79 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 109.781 -0.452 . . . . 10.0 109.781 179.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 41.0 p -73.89 -19.84 60.59 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 120.943 0.402 . . . . 10.0 111.294 179.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 36.9 mt -74.77 -53.71 8.68 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.161 -0.681 . . . . 10.0 109.161 178.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 5.5 m -65.16 -29.34 70.16 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.547 -0.538 . . . . 10.0 109.547 178.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -58.46 -33.58 69.9 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.209 -0.905 . . . . 10.0 110.247 178.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 49.4 mttp -99.46 -33.12 10.8 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 116.009 -0.542 . . . . 10.0 110.806 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -52.57 -44.92 66.21 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.281 -0.418 . . . . 10.0 111.931 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -64.68 -62.34 5.09 Favored Pre-proline 0 CA--C 1.537 0.444 0 N-CA-C 112.891 0.7 . . . . 10.0 112.891 -179.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -60.15 -36.34 89.02 Favored 'Trans proline' 0 C--N 1.355 0.883 0 C-N-CA 121.955 1.77 . . . . 10.0 112.317 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -66.08 -47.74 73.27 Favored 'General case' 0 C--O 1.224 -0.252 0 N-CA-C 110.025 -0.361 . . . . 10.0 110.025 179.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 16.7 mt -62.05 -40.11 94.67 Favored 'General case' 0 CA--C 1.52 -0.197 0 N-CA-C 110.012 -0.366 . . . . 10.0 110.012 179.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -62.44 -48.09 81.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.309 -0.405 . . . . 10.0 110.126 179.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.31 -39.58 94.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.173 179.548 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 67.8 mt -63.23 -49.44 74.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.019 178.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 87.5 mtt180 -61.46 -53.51 55.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.87 0.367 . . . . 10.0 110.39 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -62.76 -19.5 64.04 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.755 -0.657 . . . . 10.0 111.632 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -90.06 -34.19 8.38 Favored Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 111.069 -0.812 . . . . 10.0 111.069 178.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 67.5 mt -72.39 -34.14 67.7 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 122.207 0.203 . . . . 10.0 110.825 179.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 73.5 mt -49.49 -59.55 6.46 Favored Pre-proline 0 CA--C 1.536 0.436 0 N-CA-C 112.714 0.635 . . . . 10.0 112.714 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -77.09 -35.56 1.72 Allowed 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 121.846 1.697 . . . . 10.0 112.274 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.42 -36.93 78.11 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.078 0 C-N-CA 120.951 -0.3 . . . . 10.0 111.642 -179.277 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 30.1 mt -66.06 -38.2 87.72 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 109.766 -0.457 . . . . 10.0 109.766 179.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -64.41 -47.5 78.92 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.972 -0.558 . . . . 10.0 109.517 179.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 16.2 m -60.51 -38.86 85.75 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.044 -0.525 . . . . 10.0 110.125 178.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 5.0 m-30 -67.28 -39.56 86.05 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.282 178.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 83.2 mttt -62.69 -45.43 92.83 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 109.835 -0.431 . . . . 10.0 109.835 178.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 84.1 t -58.71 -47.17 89.77 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 CA-C-N 115.73 -0.668 . . . . 10.0 110.44 179.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 1.3 p -66.16 -35.64 81.01 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.659 -0.246 . . . . 10.0 111.172 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -67.3 -44.29 79.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.025 0.44 . . . . 10.0 110.28 178.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 63.7 mt -62.14 -46.99 86.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.812 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 2.6 p -64.83 -31.96 73.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.036 0.446 . . . . 10.0 110.535 179.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -71.05 -52.15 21.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.523 179.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 96.3 mt -58.52 -42.38 87.58 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.0 -0.546 . . . . 10.0 111.451 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -61.94 -54.21 44.98 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.371 -0.377 . . . . 10.0 111.081 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -63.76 -36.2 83.1 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.43 -0.35 . . . . 10.0 111.5 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 3.0 m-30 -62.11 -45.15 94.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.933 0.397 . . . . 10.0 110.407 178.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 22.8 m -68.87 -28.15 66.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 10.0 111.254 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -73.38 -40.49 64.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.98 0.419 . . . . 10.0 110.612 179.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 9.8 mptt -77.47 -52.39 9.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.291 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 64.9 mt -87.76 65.27 8.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.183 0.516 . . . . 10.0 110.397 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 . . . . . 0 C--N 1.326 -0.431 0 CA-C-N 115.796 -0.638 . . . . 10.0 110.724 -179.728 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 8.2 m . . . . . 0 N--CA 1.455 -0.193 0 CA-C-O 120.681 0.277 . . . . 10.0 110.579 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 1.4 m -77.84 120.89 23.37 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.935 0.398 . . . . 10.0 110.384 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -79.65 141.8 36.15 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.048 -0.524 . . . . 10.0 110.375 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -137.86 107.75 6.31 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.665 0.269 . . . . 10.0 110.285 179.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 44.9 mttm -78.49 112.91 16.03 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.994 -0.548 . . . . 10.0 111.037 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 6.0 mt -111.28 122.51 48.04 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.899 -0.592 . . . . 10.0 110.622 -179.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 42.2 t -111.34 117.73 55.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 109.801 -0.444 . . . . 10.0 109.801 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 11.4 t -84.84 122.49 38.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 109.438 -0.579 . . . . 10.0 109.438 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 17.4 m -117.82 166.68 11.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 120.778 0.323 . . . . 10.0 111.457 -179.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 138.95 -176.32 20.99 Favored Glycine 0 N--CA 1.444 -0.796 0 N-CA-C 111.045 -0.822 . . . . 10.0 111.045 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -88.37 -171.17 3.25 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.704 0.288 . . . . 10.0 110.405 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.67 156.6 18.92 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.099 0.476 . . . . 10.0 111.116 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 79.83 -15.43 15.11 Favored Glycine 0 N--CA 1.446 -0.677 0 CA-C-N 115.903 -0.589 . . . . 10.0 114.442 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 32.6 m -65.88 -25.74 36.93 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 CA-C-N 117.695 0.747 . . . . 10.0 112.523 -178.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 97.6 31.63 6.65 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.695 -0.764 . . . . 10.0 113.15 179.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 50.9 mtpt -55.28 -57.87 10.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.923 0.392 . . . . 10.0 110.538 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.81 -36.51 82.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.579 -0.737 . . . . 10.0 111.535 -179.164 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.96 -39.48 78.21 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 120.757 0.313 . . . . 10.0 110.436 179.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 64.7 mt -65.18 -42.44 93.63 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.76 178.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.12 -44.81 78.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 10.0 110.625 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 79.8 mt -59.09 -37.35 67.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.862 -0.608 . . . . 10.0 111.207 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -68.84 -17.9 64.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.368 -0.378 . . . . 10.0 111.943 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 3.3 tp -99.89 -28.45 13.11 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.051 0.453 . . . . 10.0 110.754 179.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 49.1 mm -84.68 -54.72 8.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.02 -0.536 . . . . 10.0 111.5 -179.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -99.39 -11.48 21.12 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.251 -0.432 . . . . 10.0 111.256 -179.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 63.3 42.78 6.65 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.021 -0.536 . . . . 10.0 112.211 179.071 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -151.05 159.74 44.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.356 -0.384 . . . . 10.0 110.888 179.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -97.83 139.5 33.59 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.984 0.421 . . . . 10.0 111.269 -179.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 3.4 m -100.96 116.48 44.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.339 179.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -80.67 -25.92 37.92 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.938 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -85.71 130.45 34.56 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.105 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -82.34 114.18 20.63 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 109.904 -0.406 . . . . 10.0 109.904 179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -111.36 123.0 36.07 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.966 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo -69.7 80.83 0.84 Allowed 'Trans proline' 0 N--CA 1.46 -0.475 0 C-N-CA 122.547 2.165 . . . . 10.0 110.837 179.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.44 102.18 3.13 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.477 179.662 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 46.5 mm -80.81 -49.7 18.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 123.411 0.445 . . . . 10.0 110.688 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -153.1 101.89 2.6 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.911 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -142.51 146.18 34.44 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.314 -0.624 . . . . 10.0 109.314 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.9 p -134.27 153.53 51.81 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 111.996 0.369 . . . . 10.0 111.996 -179.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -138.99 137.43 36.35 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.002 -0.545 . . . . 10.0 110.094 -179.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -111.15 121.22 44.75 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.649 0.261 . . . . 10.0 110.61 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 55.3 tttp -129.46 121.99 28.4 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.783 0.325 . . . . 10.0 111.065 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -93.87 120.26 33.89 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.156 -0.683 . . . . 10.0 109.156 179.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 2.8 m -138.71 165.74 23.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.397 -0.365 . . . . 10.0 111.414 -178.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 44.9 t -100.49 107.91 22.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.374 -0.602 . . . . 10.0 109.374 179.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 12.0 mt -124.82 130.28 73.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.372 -0.377 . . . . 10.0 110.519 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 60.41 24.02 13.57 Favored 'General case' 0 N--CA 1.464 0.27 0 O-C-N 123.654 0.596 . . . . 10.0 112.168 179.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 86.32 9.83 75.39 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.998 -0.62 . . . . 10.0 113.004 179.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -123.72 142.62 50.9 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.787 0.327 . . . . 10.0 111.239 -179.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 3.9 m -83.61 105.76 14.79 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 107.657 -1.238 . . . . 10.0 107.657 178.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 5.5 m -102.37 142.54 33.42 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 112.409 0.522 . . . . 10.0 112.409 -177.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 67.9 tp -105.11 99.21 8.83 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.078 -1.082 . . . . 10.0 108.078 178.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 42.1 mt -75.59 116.74 16.62 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 112.824 0.676 . . . . 10.0 112.824 -178.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -105.27 79.79 1.52 Allowed 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 107.419 -1.326 . . . . 10.0 107.419 178.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -91.17 141.89 13.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.718 -0.674 . . . . 10.0 112.299 -176.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.3 tt -141.33 131.49 24.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.75 -0.659 . . . . 10.0 110.44 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -97.37 132.52 43.01 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 109.862 -0.421 . . . . 10.0 109.862 178.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 22.0 p -100.69 163.81 12.16 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.01 -0.541 . . . . 10.0 111.19 -178.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -80.45 115.7 20.12 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.775 0.321 . . . . 10.0 110.514 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -86.62 39.32 3.08 Favored Glycine 0 CA--C 1.52 0.378 0 C-N-CA 120.747 -0.739 . . . . 10.0 112.707 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -111.8 13.11 21.01 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.489 0.185 . . . . 10.0 111.366 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 59.99 -161.09 0.28 Allowed 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.269 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 71.78 -39.14 0.44 Allowed 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 113.469 0.914 . . . . 10.0 113.469 179.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -77.11 44.45 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 111.984 0.365 . . . . 10.0 111.984 -179.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.33 -37.46 87.36 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.486 -0.325 . . . . 10.0 110.533 179.635 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.79 -39.24 90.75 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.648 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 90.4 mtp -77.53 -23.32 50.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.613 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 5.5 ttp180 -61.34 -43.56 98.67 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.58 -0.736 . . . . 10.0 111.974 -179.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -65.09 -26.36 68.19 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.688 0.28 . . . . 10.0 111.092 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -65.51 -63.86 1.0 Allowed 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.332 0.493 . . . . 10.0 112.332 -178.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -66.92 -19.7 65.77 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 112.881 0.697 . . . . 10.0 112.881 -178.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 42.5 mtt -70.73 -25.79 63.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.191 0.519 . . . . 10.0 110.5 179.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 41.9 ttm105 -79.95 -43.76 21.5 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.786 -0.643 . . . . 10.0 110.459 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -75.84 -28.13 58.1 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.946 -0.57 . . . . 10.0 111.833 -179.405 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -70.02 137.44 28.27 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.65 -0.786 . . . . 10.0 113.538 -178.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -97.49 -45.1 6.56 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.077 0.465 . . . . 10.0 109.942 179.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -121.98 137.06 11.29 Favored Glycine 0 N--CA 1.448 -0.507 0 N-CA-C 110.554 -1.018 . . . . 10.0 110.554 179.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -115.91 124.75 51.39 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.475 0.655 . . . . 10.0 111.716 -179.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 19.7 tp -96.85 108.89 21.66 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.476 -0.784 . . . . 10.0 110.186 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 18.6 m -87.23 102.27 14.32 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.902 -0.407 . . . . 10.0 109.902 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 66.2 t -107.54 132.88 53.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.129 0.49 . . . . 10.0 111.306 -178.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 33.0 p90 -139.97 163.48 32.57 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.723 -0.671 . . . . 10.0 109.544 179.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -97.92 131.85 44.02 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.867 -0.42 . . . . 10.0 109.867 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 29.5 pt -64.84 -18.24 23.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 112.339 0.496 . . . . 10.0 112.339 -178.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 15.7 p-10 -107.63 12.79 27.26 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 121.253 0.549 . . . . 10.0 110.885 179.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -131.2 90.61 2.9 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.453 -0.794 . . . . 10.0 109.473 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -65.17 -25.31 67.67 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.145 -0.48 . . . . 10.0 112.063 -178.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 25.7 tptp -58.69 -48.64 80.42 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.281 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 78.5 p -66.21 -26.34 67.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.076 -0.511 . . . . 10.0 111.347 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -67.96 -36.9 80.87 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.205 -0.452 . . . . 10.0 110.96 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -73.81 -34.99 64.83 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.83 0.348 . . . . 10.0 110.708 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -61.62 -22.88 65.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.779 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 50.4 mm -58.83 -36.43 61.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.315 -0.402 . . . . 10.0 110.728 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 64.5 t60 -70.89 -45.03 65.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.756 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -60.18 -44.86 94.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.299 -0.409 . . . . 10.0 111.24 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -63.93 -46.83 82.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.08 -0.509 . . . . 10.0 109.875 178.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 17.3 ttt180 -54.82 -46.69 74.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.425 -0.807 . . . . 10.0 111.492 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -65.06 -31.75 73.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.026 -0.534 . . . . 10.0 112.328 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -74.7 -44.64 49.06 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 121.044 -0.262 . . . . 10.0 110.978 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 77.9 mt -55.58 -47.06 79.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.355 0.597 . . . . 10.0 109.898 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -70.28 -17.11 63.09 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.536 -0.757 . . . . 10.0 112.266 -179.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 8.5 tmm_? -85.41 -43.26 13.78 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.654 -0.499 . . . . 10.0 109.654 178.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 54.9 t -65.6 -43.68 93.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.406 179.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -87.64 -7.28 57.65 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.348 -179.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 30.4 t70 48.23 66.96 0.92 Allowed 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 112.899 0.703 . . . . 10.0 112.899 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 40.5 t -166.15 150.15 7.76 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.869 -0.605 . . . . 10.0 110.002 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -97.4 -4.16 38.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.94 0.4 . . . . 10.0 110.718 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -113.82 86.98 2.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.07 -0.514 . . . . 10.0 110.769 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 58.7 t -121.74 132.11 24.3 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.312 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -64.62 101.92 0.39 Allowed 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.932 2.421 . . . . 10.0 111.771 179.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 54.1 mtm -134.09 141.47 47.17 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.149 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 92.0 t -127.26 132.21 69.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 109.589 -0.522 . . . . 10.0 109.589 179.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 19.6 tp -90.4 118.33 29.8 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.103 -0.703 . . . . 10.0 109.103 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 68.9 t -117.59 120.91 66.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.146 0.498 . . . . 10.0 111.815 -178.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -91.56 117.65 5.26 Favored Glycine 0 N--CA 1.444 -0.817 0 N-CA-C 109.437 -1.465 . . . . 10.0 109.437 178.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -100.5 160.49 14.31 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 112.388 0.514 . . . . 10.0 112.388 -178.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 82.6 mttt 64.11 36.18 9.88 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 114.858 -1.064 . . . . 10.0 111.866 179.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 91.3 m -67.69 -9.16 41.13 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.485 0.55 . . . . 10.0 112.485 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.68 -17.37 51.37 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.636 0.255 . . . . 10.0 110.694 179.577 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 89.4 mt -80.85 141.59 51.42 Favored Pre-proline 0 C--N 1.332 -0.186 0 CA-C-N 116.187 -0.46 . . . . 10.0 111.169 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -87.13 174.4 5.33 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 122.543 2.162 . . . . 10.0 111.56 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 36.3 m 58.26 51.97 7.89 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.333 0.587 . . . . 10.0 112.051 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -76.16 148.51 37.73 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.775 -0.648 . . . . 10.0 110.741 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 16.9 p -96.28 -35.1 11.36 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.016 0.436 . . . . 10.0 110.076 179.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 40.8 t -96.71 110.82 25.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.051 -0.522 . . . . 10.0 109.841 179.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -78.58 159.49 28.09 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.943 -0.391 . . . . 10.0 109.943 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.13 -49.67 76.32 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 112.935 0.716 . . . . 10.0 112.935 -178.548 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.47 -39.59 73.46 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 113.719 1.007 . . . . 10.0 113.719 -178.743 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -67.97 -27.45 66.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.032 0.444 . . . . 10.0 111.666 -178.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -88.15 -36.6 16.76 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.571 -0.529 . . . . 10.0 109.571 179.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -67.25 -46.3 74.14 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 115.831 -0.622 . . . . 10.0 111.909 -179.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -61.95 -42.17 98.81 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.948 0.404 . . . . 10.0 110.579 179.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 10.9 tp -63.0 -47.6 82.42 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.012 -0.54 . . . . 10.0 110.376 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.81 -37.9 89.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.5 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -63.27 -38.75 92.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.62 -0.718 . . . . 10.0 110.225 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 21.9 t -65.82 -42.97 89.93 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.86 -0.609 . . . . 10.0 111.232 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -75.72 -35.4 60.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.336 -0.393 . . . . 10.0 111.841 -179.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 102.27 35.48 3.88 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.786 -0.721 . . . . 10.0 112.154 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 34.3 pt -121.99 148.57 51.81 Favored Pre-proline 0 C--N 1.326 -0.431 0 N-CA-C 110.224 -0.287 . . . . 10.0 110.224 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo -74.82 149.94 38.35 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 122.831 2.354 . . . . 10.0 111.735 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -132.69 127.24 34.37 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.009 -0.541 . . . . 10.0 109.949 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 49.5 mt -134.29 134.13 55.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.562 -0.29 . . . . 10.0 110.738 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -86.5 135.67 33.37 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.6 -0.889 . . . . 10.0 108.6 177.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 20.3 p -132.72 162.31 31.75 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.159 0.8 . . . . 10.0 113.159 -178.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 29.1 t -154.85 103.62 2.44 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.099 -1.075 . . . . 10.0 108.099 178.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -64.74 -34.91 79.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.996 -0.547 . . . . 10.0 111.515 -179.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -61.21 -28.05 68.87 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.213 0.449 . . . . 10.0 112.213 -179.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 14.0 p -105.8 -3.7 21.69 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 121.124 -0.231 . . . . 10.0 111.307 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 57.11 37.47 28.57 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 121.233 0.54 . . . . 10.0 110.858 179.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -117.0 131.09 57.04 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.566 0.58 . . . . 10.0 112.566 -178.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 76.64 -8.75 26.09 Favored Glycine 0 C--N 1.333 0.363 0 N-CA-C 115.077 0.791 . . . . 10.0 115.077 177.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 61.7 t -65.52 -43.27 94.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 117.462 0.631 . . . . 10.0 111.616 -178.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -62.06 -42.02 98.75 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.776 -0.453 . . . . 10.0 109.776 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -57.81 -43.33 85.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.187 -0.915 . . . . 10.0 111.999 -179.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -58.19 -45.7 87.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 10.0 111.42 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -69.01 -40.51 78.65 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.369 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 6.2 m-30 -65.33 -41.62 93.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 10.0 111.416 -179.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 35.0 m -66.22 -42.14 89.11 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.982 -0.554 . . . . 10.0 112.257 -179.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 62.6 tp -61.83 -42.09 98.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.683 0.278 . . . . 10.0 111.687 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 91.8 t -62.12 -39.37 83.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.341 0.591 . . . . 10.0 110.118 179.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 9.9 ttp180 -62.39 -38.81 91.05 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.338 -0.846 . . . . 10.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -64.76 -37.33 87.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.298 -0.41 . . . . 10.0 111.086 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 44.5 mt -69.64 -47.16 72.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 109.8 -0.445 . . . . 10.0 109.8 179.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 41.0 ttm105 -60.21 -38.19 82.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.606 -0.725 . . . . 10.0 109.541 179.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -66.4 -48.67 69.33 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.469 -0.787 . . . . 10.0 110.422 179.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -56.0 -49.03 74.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.996 -0.547 . . . . 10.0 111.584 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 35.7 mtpt -69.24 -42.11 76.1 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.478 0.547 . . . . 10.0 112.478 -178.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -64.0 -39.4 94.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.207 0.527 . . . . 10.0 110.465 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.43 6.07 28.29 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.99 -0.55 . . . . 10.0 112.133 -178.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 12.9 mmm -99.97 -20.34 16.14 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.008 0.373 . . . . 10.0 112.008 -179.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -81.68 -5.81 58.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.577 0.227 . . . . 10.0 111.344 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 6.4 mtpt -126.61 49.31 2.05 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.951 0.405 . . . . 10.0 111.126 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 173' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -98.31 -169.67 1.84 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.613 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . 75.04 39.29 38.04 Favored Glycine 0 N--CA 1.45 -0.431 0 N-CA-C 111.307 -0.717 . . . . 10.0 111.307 -179.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 175' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -92.33 138.19 31.73 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.163 0.506 . . . . 10.0 111.87 -179.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 176' ' ' LYS . . . . . . . . . . . . . 51.4 mttt -130.99 122.96 27.78 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.757 -0.656 . . . . 10.0 109.839 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 177' ' ' LYS . . . . . . . . . . . . . 7.9 tmtm? -103.78 -64.39 1.1 Allowed 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 121.141 -0.223 . . . . 10.0 111.253 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 178' ' ' LYS . . . . . 0.508 ' CG ' ' H ' ' B' ' 179' ' ' LYS . 3.6 tptm 66.61 -153.08 0.22 Allowed 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.285 -179.669 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 179' ' ' LYS . . . . . 0.508 ' H ' ' CG ' ' B' ' 178' ' ' LYS . 28.0 mtmt -141.6 -178.53 5.69 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 110.123 -0.325 . . . . 10.0 110.123 -179.697 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -101.56 173.48 6.41 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.695 -0.229 . . . . 10.0 110.788 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 47.2 m -135.73 -104.16 0.21 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.557 -0.292 . . . . 10.0 111.154 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 16.9 mtpp -145.87 47.37 1.25 Allowed 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.921 0.391 . . . . 10.0 111.523 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.82 -49.34 2.94 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.948 0.404 . . . . 10.0 110.933 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 184' ' ' LYS . . . . . 0.604 ' H ' ' C3 ' ' A' ' 415' ' ' 17F . 58.9 tttp . . . . . 0 C--N 1.327 -0.388 0 CA-C-O 121.047 0.451 . . . . 10.0 111.04 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 CA-C-O 120.89 0.376 . . . . 10.0 111.284 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -81.67 126.66 32.04 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.292 -0.413 . . . . 10.0 109.966 -179.378 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -90.52 132.59 35.6 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.382 -0.372 . . . . 10.0 110.844 -179.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -128.44 106.54 9.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.51 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 41.3 mttm -81.13 111.1 17.27 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.28 -0.418 . . . . 10.0 109.901 179.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 18.2 mt -113.27 125.65 54.54 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.897 -178.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 43.9 t -113.36 122.55 67.71 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 N-CA-C 109.942 -0.392 . . . . 10.0 109.942 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 3.0 t -87.38 114.92 27.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 108.987 -0.746 . . . . 10.0 108.987 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 15.1 m -113.4 148.3 16.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.119 0.485 . . . . 10.0 111.425 -179.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 154.84 171.83 21.98 Favored Glycine 0 N--CA 1.444 -0.803 0 N-CA-C 111.16 -0.776 . . . . 10.0 111.16 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.66 -175.58 0.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.336 0.589 . . . . 10.0 112.181 -179.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.2 146.27 25.46 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.756 -0.657 . . . . 10.0 110.913 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 73.5 13.11 80.27 Favored Glycine 0 CA--C 1.523 0.543 0 CA-C-N 115.806 -0.634 . . . . 10.0 114.28 179.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 32.0 m -84.81 -25.56 6.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 112.788 0.662 . . . . 10.0 112.788 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . 0.437 ' CA ' ' C8 ' ' C' ' 201' ' ' GSP . . . 115.39 16.52 7.06 Favored Glycine 0 C--N 1.334 0.446 0 C-N-CA 120.297 -0.954 . . . . 10.0 114.418 179.341 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 21.1 mtmm -59.54 -40.55 87.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.044 0.449 . . . . 10.0 112.053 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 43.2 m -75.51 -44.08 45.63 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 110.092 -0.336 . . . . 10.0 110.092 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.33 -49.91 68.64 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.881 -0.6 . . . . 10.0 111.661 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 78.2 mt -60.82 -45.38 94.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.398 -0.365 . . . . 10.0 111.493 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 14.6 m -66.32 -49.83 65.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.261 -0.427 . . . . 10.0 111.298 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 94.3 mt -60.38 -34.87 59.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.561 -0.29 . . . . 10.0 111.374 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -61.58 -24.47 66.69 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.483 0.549 . . . . 10.0 112.483 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 7.6 mp -106.25 -28.43 10.43 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 111.686 0.254 . . . . 10.0 111.686 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 43.6 mm -78.0 -57.34 5.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-O 120.791 0.329 . . . . 10.0 110.866 179.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -96.89 -14.77 21.57 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.36 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 66.13 52.49 1.16 Allowed 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 113.87 1.063 . . . . 10.0 113.87 178.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -162.52 161.94 27.17 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.559 -0.291 . . . . 10.0 110.293 178.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -101.63 137.6 39.73 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.939 0.4 . . . . 10.0 111.208 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 11.1 m -97.44 128.28 48.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.202 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -94.36 -29.55 14.95 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.504 0.669 . . . . 10.0 109.295 179.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -80.17 138.9 36.95 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.48 -0.782 . . . . 10.0 110.626 -179.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -89.77 113.32 24.84 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.587 -179.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -127.61 108.47 20.76 Favored Pre-proline 0 C--N 1.321 -0.633 0 C-N-CA 120.928 -0.309 . . . . 10.0 111.008 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_exo -58.73 130.36 36.62 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 122.729 2.286 . . . . 10.0 111.498 179.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 2.2 m -104.46 123.63 47.82 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.494 -179.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 45.5 mm -83.82 -57.18 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.872 0.368 . . . . 10.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -161.74 78.84 0.55 Allowed 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.48 -0.563 . . . . 10.0 109.48 -179.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.76 127.36 55.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.186 -179.196 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.06 149.46 30.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.978 -0.555 . . . . 10.0 111.391 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -137.7 141.76 41.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.708 -0.678 . . . . 10.0 109.483 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -115.57 130.05 56.73 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.732 0.301 . . . . 10.0 110.939 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 56.8 tttp -133.52 133.64 42.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -108.92 106.48 16.48 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.814 -0.439 . . . . 10.0 109.814 179.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 1.5 m -128.36 161.45 36.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 120.966 0.412 . . . . 10.0 111.21 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -93.81 106.88 18.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.312 179.143 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 68.1 mt -113.12 119.41 60.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.456 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 63.24 32.23 15.03 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.159 -0.928 . . . . 10.0 111.431 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.68 -4.56 78.44 Favored Glycine 0 C--N 1.33 0.25 0 CA-C-N 115.753 -0.658 . . . . 10.0 113.035 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -110.57 133.53 53.22 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.653 0.263 . . . . 10.0 110.988 -178.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.41 125.92 27.98 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.274 -0.639 . . . . 10.0 109.274 178.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 17.3 m -123.76 131.69 53.65 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 112.396 0.517 . . . . 10.0 112.396 -178.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 41.5 tp -100.13 102.55 13.9 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 107.874 -1.158 . . . . 10.0 107.874 177.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 19.0 mt -86.17 127.6 34.75 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 113.186 0.809 . . . . 10.0 113.186 -177.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -108.08 87.83 2.59 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 107.341 -1.355 . . . . 10.0 107.341 177.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 3.1 mt -93.55 147.25 5.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.038 -0.528 . . . . 10.0 112.028 -176.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 9.6 tp -147.62 130.02 15.75 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.372 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -91.08 138.58 31.49 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 109.721 -0.474 . . . . 10.0 109.721 178.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 33.2 p -103.97 147.83 26.91 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.22 0.533 . . . . 10.0 111.792 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.81 103.32 5.84 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.733 -0.667 . . . . 10.0 109.769 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -82.99 22.51 6.75 Favored Glycine 0 C--O 1.228 -0.221 0 C-N-CA 121.199 -0.525 . . . . 10.0 113.081 -179.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -91.18 1.61 56.97 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.176 -0.676 . . . . 10.0 109.176 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 62' ' ' GLU . . . . . 0.425 ' C ' ' H ' ' C' ' 64' ' ' TYR . 40.0 mm-40 67.77 -157.94 0.21 Allowed 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.401 -0.818 . . . . 10.0 111.444 -179.354 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 76.2 -24.3 0.22 Allowed 'General case' 0 N--CA 1.466 0.347 0 O-C-N 123.609 0.568 . . . . 10.0 111.582 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 64' ' ' TYR . . . . . 0.425 ' H ' ' C ' ' C' ' 62' ' ' GLU . 47.4 m-85 -96.13 79.87 3.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.528 -0.306 . . . . 10.0 110.532 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -78.11 -59.62 2.71 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.011 -0.54 . . . . 10.0 111.048 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.72 -35.48 65.09 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.85 -0.614 . . . . 10.0 111.981 -179.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 27.5 ttt -61.4 -35.58 77.91 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.153 0.501 . . . . 10.0 110.937 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 68' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -65.72 -32.28 73.75 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.883 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.38 -23.83 67.43 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.318 -0.401 . . . . 10.0 111.344 -179.567 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -62.22 -58.88 6.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.478 -0.328 . . . . 10.0 111.655 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 71' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.45 -14.04 61.59 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.446 0.535 . . . . 10.0 112.446 -179.53 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 19.3 mmt -69.43 -22.29 63.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.113 0.482 . . . . 10.0 110.538 179.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 68.6 mtt85 -86.12 -49.38 7.81 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.649 -179.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.34 -40.17 74.25 Favored 'General case' 0 C--O 1.238 0.45 0 O-C-N 123.348 0.405 . . . . 10.0 111.925 -179.247 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.73 135.38 38.23 Favored Glycine 0 C--N 1.333 0.376 0 O-C-N 123.579 0.549 . . . . 10.0 112.922 -179.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -100.9 -52.79 3.21 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.841 -0.429 . . . . 10.0 109.841 179.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -102.11 124.71 8.29 Favored Glycine 0 N--CA 1.441 -0.998 0 N-CA-C 111.1 -0.8 . . . . 10.0 111.1 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 78' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -105.6 122.59 46.35 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.414 0.626 . . . . 10.0 111.513 -179.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 18.5 tp -96.66 97.65 9.54 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.452 -0.794 . . . . 10.0 109.66 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 79.4 m -79.67 101.32 8.31 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.959 0.409 . . . . 10.0 110.294 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 62.0 t -106.73 129.49 60.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.857 -0.61 . . . . 10.0 111.554 -179.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -135.67 167.67 20.69 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.636 -0.711 . . . . 10.0 109.451 179.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -106.38 135.18 48.32 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.486 -0.325 . . . . 10.0 110.193 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 84' ' ' ILE . . . . . . . . . . . . . 39.9 pt -68.02 -12.36 15.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 112.316 0.487 . . . . 10.0 112.316 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -97.7 -13.66 21.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.245 0.545 . . . . 10.0 110.04 179.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 48.6 t-20 -106.81 93.91 4.82 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.966 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.23 -35.68 74.09 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.609 -0.723 . . . . 10.0 112.099 -179.098 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 14.6 tttp -65.07 -40.04 94.11 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.496 -0.32 . . . . 10.0 111.619 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 95.2 p -61.02 -28.18 68.86 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.842 0.353 . . . . 10.0 111.412 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 92.6 t80 -69.73 -36.93 76.28 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.416 0.626 . . . . 10.0 109.33 178.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -80.06 -27.86 39.31 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.6 -0.727 . . . . 10.0 109.705 179.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.92 -35.73 73.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.547 -0.751 . . . . 10.0 110.664 178.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 51.5 mm -59.17 -39.12 77.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.74 -0.664 . . . . 10.0 111.07 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -59.5 -41.07 89.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.39 -0.368 . . . . 10.0 110.321 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 31.1 m-70 -74.01 -39.76 63.37 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.954 -0.566 . . . . 10.0 110.894 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -63.91 -46.97 82.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.718 179.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -57.51 -42.44 82.78 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.951 -0.568 . . . . 10.0 111.245 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -66.46 -37.39 85.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.293 -0.412 . . . . 10.0 111.72 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -63.53 -45.71 89.34 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.337 -0.616 . . . . 10.0 109.337 179.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 81.9 mt -56.81 -46.76 83.5 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 CA-C-N 115.713 -0.676 . . . . 10.0 110.387 179.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 31.3 mtpt -59.98 -39.22 84.96 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.837 -0.62 . . . . 10.0 111.174 179.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 8.2 tmm_? -70.11 -46.51 64.68 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.477 -0.783 . . . . 10.0 111.706 -179.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 40.1 t -62.86 -50.85 78.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 112.067 0.395 . . . . 10.0 112.067 -179.304 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 22.4 mtpp -79.8 -16.12 56.13 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 112.546 0.573 . . . . 10.0 112.546 -178.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 3.7 t70 60.01 48.06 9.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.686 0.755 . . . . 10.0 110.591 -179.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 44.8 m -147.79 139.96 24.28 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.578 -0.737 . . . . 10.0 110.981 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 26.8 tp10 -77.74 -42.21 34.99 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.444 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -96.54 107.99 20.49 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.095 -0.502 . . . . 10.0 111.14 -179.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 88.2 t -131.55 133.96 24.96 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.851 -0.613 . . . . 10.0 109.662 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -55.43 110.42 0.55 Allowed 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 122.552 2.168 . . . . 10.0 110.991 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 111' ' ' MET . . . . . . . . . . . . . 9.9 ttm -142.87 146.72 34.37 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.297 -178.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 88.6 t -133.79 131.47 56.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 109.573 -0.529 . . . . 10.0 109.573 179.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 15.4 tp -92.54 117.2 29.7 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.247 -0.649 . . . . 10.0 109.247 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 70.0 t -124.67 130.52 73.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 121.194 0.521 . . . . 10.0 111.898 -179.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -107.96 125.45 7.91 Favored Glycine 0 N--CA 1.444 -0.793 0 N-CA-C 110.285 -1.126 . . . . 10.0 110.285 178.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -103.38 168.42 9.17 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.943 0.372 . . . . 10.0 110.625 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 93.9 mttt 66.71 29.91 8.4 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 123.409 0.684 . . . . 10.0 112.001 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 118' ' ' CYS . . . . . 0.403 ' HG ' ' CB ' ' C' ' 143' ' ' GLU . 53.5 m -70.93 -6.7 40.55 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.32 0.489 . . . . 10.0 112.32 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -87.25 -8.67 56.54 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.295 -0.411 . . . . 10.0 110.216 179.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 1.7 mt -98.89 132.38 23.82 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.834 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.57 -174.73 2.12 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.993 2.462 . . . . 10.0 111.862 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 12.4 m 60.44 42.22 14.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.886 -0.597 . . . . 10.0 111.724 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 -73.57 145.47 45.45 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.366 -0.379 . . . . 10.0 110.925 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 1.3 p -101.96 -18.24 15.76 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.193 0.52 . . . . 10.0 110.608 179.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 59.8 t -104.52 124.06 58.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.688 -0.687 . . . . 10.0 111.109 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.99 147.95 27.16 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.914 -0.585 . . . . 10.0 110.237 -179.781 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 10.7 m -68.39 -40.28 81.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.918 0.39 . . . . 10.0 110.401 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt -60.43 -47.74 84.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.666 -0.697 . . . . 10.0 110.78 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -66.64 -31.93 72.93 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.863 0.363 . . . . 10.0 111.256 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.14 -37.56 69.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.191 0.519 . . . . 10.0 109.735 179.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -71.3 -32.82 69.09 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.604 -0.725 . . . . 10.0 111.089 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -64.2 -41.64 96.98 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.276 0.56 . . . . 10.0 109.567 178.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 22.1 tp -67.58 -39.29 84.87 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.528 -0.76 . . . . 10.0 109.264 178.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.77 -36.47 84.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.532 -0.758 . . . . 10.0 109.894 179.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -65.3 -38.26 89.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.989 -0.55 . . . . 10.0 109.832 179.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 9.7 t -66.56 -35.69 80.83 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.163 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 19.8 m-30 -79.82 -37.65 34.66 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.048 -0.523 . . . . 10.0 110.826 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 92.66 33.88 7.24 Favored Glycine 0 N--CA 1.446 -0.69 0 N-CA-C 110.48 -1.048 . . . . 10.0 110.48 -179.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 48.0 pt -126.02 157.24 70.13 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 115.635 -0.282 . . . . 10.0 110.381 -179.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_endo -79.35 150.53 22.45 Favored 'Trans proline' 0 CA--C 1.532 0.395 0 C-N-CA 122.253 1.969 . . . . 10.0 112.273 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -122.6 121.88 37.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.047 179.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 59.6 mt -123.99 123.94 67.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.248 -0.433 . . . . 10.0 111.647 -179.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 143' ' ' GLU . . . . . 0.403 ' CB ' ' HG ' ' C' ' 118' ' ' CYS . 52.6 mt-10 -84.06 129.59 34.9 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.409 -0.96 . . . . 10.0 108.409 178.015 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 46.5 p -135.45 168.54 19.03 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.564 0.697 . . . . 10.0 112.681 -178.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 13.7 t -146.61 113.2 5.99 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.192 -1.04 . . . . 10.0 108.192 178.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -65.11 -26.34 68.17 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.236 -0.438 . . . . 10.0 111.246 -179.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 31.1 mtpt -71.21 -22.82 61.96 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.824 0.676 . . . . 10.0 112.824 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -123.68 2.72 8.9 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.972 0.36 . . . . 10.0 111.972 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 14.7 ttt85 57.91 30.47 19.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.36 0.6 . . . . 10.0 110.22 -178.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -66.76 99.71 0.63 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.356 -0.838 . . . . 10.0 112.712 -178.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 61.36 16.46 49.62 Favored Glycine 0 CA--C 1.52 0.403 0 CA-C-N 115.751 -0.659 . . . . 10.0 114.663 178.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 49.5 t -64.96 -39.62 86.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 117.231 0.516 . . . . 10.0 110.424 -179.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.54 -45.1 80.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.892 -0.595 . . . . 10.0 110.355 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -64.98 -40.22 94.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.593 -0.731 . . . . 10.0 112.073 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -57.77 -43.93 85.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.684 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 9.2 m-30 -69.43 -38.79 78.02 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.562 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 13.0 m-30 -63.35 -40.16 96.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.127 0.489 . . . . 10.0 110.645 179.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 92.6 m -62.52 -32.32 73.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.752 -0.658 . . . . 10.0 111.212 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 38.0 tp -63.08 -34.25 77.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.35 0.595 . . . . 10.0 109.888 178.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 62.2 t -71.63 -37.29 62.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.695 -0.684 . . . . 10.0 109.688 178.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -61.81 -38.61 88.75 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.726 -0.67 . . . . 10.0 109.932 179.242 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 162' ' ' GLU . . . . . 0.402 ' CD ' ' HZ3' ' C' ' 165' ' ' LYS . 72.4 mm-40 -62.33 -38.57 89.98 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.991 -0.549 . . . . 10.0 111.195 179.554 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 62.6 mt -64.01 -46.72 93.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-O 120.901 0.382 . . . . 10.0 110.448 179.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 81.0 mtt180 -62.37 -40.88 97.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.902 -0.59 . . . . 10.0 109.664 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 165' ' ' LYS . . . . . 0.402 ' HZ3' ' CD ' ' C' ' 162' ' ' GLU . 33.9 ttmt -62.41 -46.85 86.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.388 -0.823 . . . . 10.0 110.089 179.312 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -55.08 -50.41 69.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.603 -0.726 . . . . 10.0 110.721 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 47.4 mttt -64.45 -40.27 95.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.338 -0.392 . . . . 10.0 111.544 -179.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -64.14 -51.82 62.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.128 0.489 . . . . 10.0 110.261 179.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 40.5 mtpt -62.23 -42.72 99.56 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.594 -0.73 . . . . 10.0 111.531 -179.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 9.5 mmt -64.34 -30.91 71.95 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.396 0.517 . . . . 10.0 112.396 -179.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 50.6 m -67.15 -22.05 65.79 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.016 0.436 . . . . 10.0 110.647 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -108.73 -3.05 18.13 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.878 -0.601 . . . . 10.0 109.938 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 173' ' ' ASP . . . . . . . . . . . . . 29.3 t70 67.38 4.14 3.62 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.466 -0.788 . . . . 10.0 111.362 -179.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . 78.69 -10.31 32.02 Favored Glycine 0 N--CA 1.451 -0.328 0 CA-C-N 116.012 -0.54 . . . . 10.0 112.768 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 175' ' ' LYS . . . . . . . . . . . . . 13.3 pttm -153.38 -149.93 0.31 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 110.003 -0.369 . . . . 10.0 110.003 -178.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 176' ' ' LYS . . . . . . . . . . . . . 30.9 mttp 62.05 24.25 14.41 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.081 0.467 . . . . 10.0 111.944 179.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 177' ' ' LYS . . . . . . . . . . . . . 3.6 tppt? -120.54 -7.65 9.65 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.007 0.432 . . . . 10.0 110.33 179.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 178' ' ' LYS . . . . . . . . . . . . . 8.7 ttpp 59.7 30.47 20.06 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.255 -0.884 . . . . 10.0 112.237 179.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 179' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -95.3 126.02 40.33 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.108 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 180' ' ' LYS . . . . . . . . . . . . . 49.7 tptt -148.61 -53.48 0.18 Allowed 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.104 0.478 . . . . 10.0 110.479 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 24.5 p -113.73 -171.01 1.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.049 -0.523 . . . . 10.0 110.602 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 182' ' ' LYS . . . . . . . . . . . . . 10.0 mmtt -104.56 24.49 11.62 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.928 0.394 . . . . 10.0 110.746 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 1.1 p -70.48 112.11 6.51 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.242 -0.435 . . . . 10.0 110.749 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 184' ' ' LYS . . . . . . . . . . . . . 53.7 tttm . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.259 -179.149 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 401' ' ' PCW . . . . . 0.584 ' C6 ' ' O31' ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 402' ' ' PCW . . . . . 0.536 ' C35' ' C31' ' A' ' 402' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 403' ' ' PCW . . . . . 0.556 ' C31' ' C35' ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 404' ' ' PCW . . . . . 0.73 ' O31' ' C35' ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 405' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 406' ' ' PCW . . . . . 0.601 ' O3P' ' O31' ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 407' ' ' PCW . . . . . 0.714 ' C21' ' C17' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 408' ' ' PCW . . . . . 0.569 ' O4P' ' C6 ' ' A' ' 408' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 409' ' ' PCW . . . . . 0.746 ' C14' ' C19' ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 410' ' ' PCW . . . . . 0.475 ' C6 ' ' O2P' ' A' ' 402' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 411' ' ' PCW . . . . . 0.503 ' C31' ' O3 ' ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 412' ' ' PCW . . . . . 0.567 ' O31' ' O3 ' ' A' ' 412' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 413' ' ' PCW . . . . . 0.407 ' C15' ' C35' ' A' ' 408' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 414' ' ' PCW . . . . . 0.616 ' C47' ' C43' ' A' ' 414' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 415' ' ' 17F . . . . . 0.604 ' C3 ' ' H ' ' B' ' 184' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 416' ' ' 17F . . . . . 0.593 ' O10' ' O6 ' ' A' ' 416' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 417' ' ' PCW . . . . . 0.496 ' C2 ' ' O11' ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 418' ' ' PCW . . . . . 0.563 ' C6 ' ' O4P' ' A' ' 418' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 419' ' ' PCW . . . . . 0.521 ' O1P' ' C4 ' ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 420' ' ' PCW . . . . . 0.575 ' C11' ' C31' ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 421' ' ' PCW . . . . . 0.5 ' O2P' ' C8 ' ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 422' ' ' 17F . . . . . 0.552 ' O10' ' O7 ' ' A' ' 422' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 601' ' ' PCW . . . . . 0.612 ' C42' ' C46' ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 602' ' ' PCW . . . . . 0.549 ' C6 ' ' O4P' ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 603' ' ' PCW . . . . . 0.474 ' C2 ' ' C4 ' ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 604' ' ' PCW . . . . . 0.565 ' O3 ' ' O31' ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 605' ' ' PCW . . . . . 0.603 ' O31' ' O3P' ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 606' ' ' PCW . . . . . 0.639 ' C14' ' C18' ' D' ' 606' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 607' ' ' PCW . . . . . 0.636 ' C1 ' ' C37' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 608' ' ' PCW . . . . . 0.53 ' O1P' ' C22' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 609' ' ' PCW . . . . . 0.658 ' C12' ' C7 ' ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 610' ' ' PCW . . . . . 0.603 ' C20' ' C24' ' D' ' 610' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 611' ' ' PCW . . . . . 0.417 ' C35' ' C22' ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 612' ' ' PCW . . . . . 0.7 ' C32' ' C35' ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 613' ' ' PCW . . . . . 0.684 ' C21' ' C17' ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 614' ' ' PCW . . . . . 0.537 ' C3 ' ' O31' ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 615' ' ' PCW . . . . . 0.642 ' C46' ' C42' ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 616' ' ' PCW . . . . . 0.658 ' C7 ' ' C12' ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 617' ' ' PCW . . . . . 0.603 ' O4P' ' C3 ' ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 618' ' ' PCW . . . . . 0.632 ' C23' ' C27' ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 619' ' ' PCW . . . . . 0.477 ' O3P' ' O31' ' D' ' 619' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 620' ' ' PCW . . . . . 0.543 ' C45' ' C22' ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 621' ' ' PCW . . . . . 0.464 ' O31' ' O3P' ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 622' ' ' PCW . . . . . 0.489 ' O3P' ' O31' ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 623' ' ' PCW . . . . . 0.706 ' C32' ' C36' ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 624' ' ' PCW . . . . . 0.669 ' C24' ' C20' ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 625' ' ' PCW . . . . . 0.623 ' C15' ' C19' ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 626' ' ' PCW . . . . . 0.636 ' C37' ' C1 ' ' D' ' 607' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 627' ' ' PCW . . . . . 0.543 ' C31' ' O3 ' ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 628' ' ' 17F . . . . . 0.632 ' C31' ' C19' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 629' ' ' 17F . . . . . 0.557 ' O7 ' ' C17' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 630' ' ' 17F . . . . . 0.555 ' O5 ' ' C8 ' ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 631' ' ' 17F . . . . . 0.595 ' O10' ' O7 ' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 632' ' ' 17F . . . . . 0.538 ' O4 ' ' C8 ' ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 201' ' ' GSP . . . . . 0.643 ' O3G' 'MG ' ' B' ' 202' ' ' ' MG' . . . . . . . . 0 O4'--C1' 1.437 1.92 2 O4'-C1'-N19 112.894 4.694 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 202' ' ' ' MG' . . . . . 0.643 'MG ' ' O3G' ' B' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 203' ' ' PCW . . . . . 0.427 ' C22' ' C1Y' ' B' ' 209' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 204' ' ' PCW . . . . . 0.626 ' C23' ' C27' ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 205' ' ' PCW . . . . . 0.657 ' C21' ' C25' ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 206' ' ' PCW . . . . . 0.549 ' C7 ' ' O2P' ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 207' ' ' PCW . . . . . 0.67 ' O1P' ' C3 ' ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 208' ' ' PCW . . . . . 0.615 ' C43' ' C47' ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 209' ' ' 17F . . . . . 0.703 ' C31' ' C19' ' B' ' 209' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 210' ' ' 17F . . . . . 0.562 ' C24' ' C12' ' B' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 211' ' ' 17F . . . . . 0.414 ' C1 ' ' O2P' ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 201' ' ' GSP . . . . . 0.679 ' O3G' ' O2B' ' C' ' 201' ' ' GSP . . . . . . . . 0 O4'--C1' 1.44 2.164 2 O4'-C1'-N19 112.926 4.726 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 202' ' ' ' MG' . . . . . 0.624 'MG ' ' O3G' ' C' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 203' ' ' PCW . . . . . 0.584 ' C21' ' C25' ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 204' ' ' PCW . . . . . 0.642 ' C42' ' C46' ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 205' ' ' PCW . . . . . 0.527 ' O11' ' C15' ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 206' ' ' PCW . . . . . 0.618 ' C7 ' ' O1 ' ' C' ' 213' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 207' ' ' PCW . . . . . 0.556 ' O31' ' C1 ' ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 208' ' ' PCW . . . . . 0.557 ' C15' ' C15' ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 209' ' ' PCW . . . . . 0.682 ' C22' ' C26' ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 210' ' ' PCW . . . . . 0.582 ' C26' ' C22' ' C' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 211' ' ' PCW . . . . . 0.505 ' C31' ' O3 ' ' C' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 212' ' ' PCW . . . . . 0.573 ' C20' ' C24' ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 213' ' ' 17F . . . . . 0.618 ' O1 ' ' C7 ' ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 214' ' ' 17F . . . . . 0.535 ' O8 ' ' C5 ' ' C' ' 214' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 215' ' ' 17F . . . . . 0.657 ' N1 ' ' O2 ' ' C' ' 215' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 216' ' ' PCW . . . . . 0.529 ' O2 ' ' O11' ' C' ' 216' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 217' ' ' PCW . . . . . 0.521 ' C35' ' C20' ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 218' ' ' 17F . . . . . 0.711 ' O7 ' ' C18' ' C' ' 218' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 219' ' ' 17F . . . . . 0.487 ' O10' ' O7 ' ' C' ' 219' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 71.0 mt . . . . . 0 C--O 1.234 0.25 0 CA-C-O 120.883 0.373 . . . . 10.0 110.72 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 10.9 tttm -59.19 -43.77 92.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.761 -0.654 . . . . 10.0 110.716 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 91.2 mt -65.03 -34.95 79.66 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.003 -0.544 . . . . 10.0 111.416 -179.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 93.7 mt -71.53 -43.93 65.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.441 -0.345 . . . . 10.0 111.213 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -69.22 -45.03 70.86 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.326 -0.397 . . . . 10.0 110.924 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -59.27 -39.18 82.1 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 116.259 -0.428 . . . . 10.0 109.926 178.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 66.8 t90 -61.55 -40.4 94.56 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.733 -0.667 . . . . 10.0 109.846 179.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -61.93 -41.71 98.27 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.468 179.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 4.4 m -59.9 -40.59 89.27 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.003 179.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 39.8 t -69.84 -41.34 79.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.971 -0.559 . . . . 10.0 109.893 179.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 24.7 m -57.25 -48.16 79.57 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.75 -0.659 . . . . 10.0 111.508 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 13.9 m -63.53 -39.91 95.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.378 -0.374 . . . . 10.0 110.6 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 34.4 m -63.0 -37.72 88.3 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.109 0.48 . . . . 10.0 109.989 179.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -64.54 -43.29 94.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.731 -0.668 . . . . 10.0 110.059 178.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 23.3 m -64.24 -45.95 85.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.048 -0.523 . . . . 10.0 110.103 179.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 47.6 mmtt -58.63 -44.63 90.07 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.181 0.515 . . . . 10.0 109.977 178.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 28.3 mt -66.24 -36.34 82.75 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.69 -0.686 . . . . 10.0 111.207 179.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 13.1 mtt85 -70.51 -38.01 74.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.589 -0.278 . . . . 10.0 110.908 179.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -64.74 -40.32 95.1 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.475 -0.565 . . . . 10.0 109.475 178.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -72.28 -28.76 63.32 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.435 -0.802 . . . . 10.0 109.441 178.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 2.0 mt -59.81 -31.01 69.31 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 116.143 -0.481 . . . . 10.0 111.024 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -56.04 -69.11 1.37 Allowed Glycine 0 C--N 1.33 0.213 0 N-CA-C 110.737 -0.945 . . . . 10.0 110.737 178.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_exo -55.85 -38.87 93.95 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.527 2.151 . . . . 10.0 110.737 177.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 8.7 t -55.46 -51.13 60.48 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-N 116.606 -0.27 . . . . 10.0 111.243 179.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 2.3 p -67.03 -34.32 77.46 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 110.235 -0.283 . . . . 10.0 110.235 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -64.86 -52.38 56.93 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.152 -0.477 . . . . 10.0 110.084 178.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -58.37 -48.54 80.27 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 123.546 0.529 . . . . 10.0 110.464 179.147 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -59.75 -49.78 76.37 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.062 -0.517 . . . . 10.0 111.392 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -65.02 -39.93 94.12 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.207 -0.451 . . . . 10.0 110.975 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -58.15 -44.72 88.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.209 0.528 . . . . 10.0 110.189 179.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -71.45 -36.99 71.43 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.823 -0.626 . . . . 10.0 109.94 178.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 34.8 mt -62.21 -34.48 76.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.869 -0.605 . . . . 10.0 110.019 178.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -61.63 -39.17 90.33 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-N 116.014 -0.539 . . . . 10.0 110.083 178.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 43.2 mttt -67.9 -34.43 76.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.981 -0.554 . . . . 10.0 109.51 179.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -71.62 -48.35 48.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.476 -0.783 . . . . 10.0 110.332 178.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 11.8 p -64.49 -41.13 96.64 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 109.803 -0.443 . . . . 10.0 109.803 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -63.33 -45.11 92.8 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 109.345 -0.613 . . . . 10.0 109.345 178.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -59.96 -45.84 95.17 Favored Glycine 0 N--CA 1.444 -0.831 0 N-CA-C 110.851 -0.9 . . . . 10.0 110.851 178.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 73.0 mt -66.02 -31.06 71.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.441 0.162 . . . . 10.0 111.033 179.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 62.2 mtt180 -70.59 -36.91 73.81 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 109.153 -0.684 . . . . 10.0 109.153 178.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -73.27 -38.63 65.87 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.826 -0.805 . . . . 10.0 108.826 178.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -70.04 -19.12 63.31 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 115.604 -0.725 . . . . 10.0 110.049 178.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 33.4 ttm -62.83 -32.68 73.94 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.813 -0.81 . . . . 10.0 108.813 178.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -76.02 2.45 12.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.337 -0.847 . . . . 10.0 110.386 179.539 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 44.3 mttm -124.56 -61.15 1.35 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.94 -0.573 . . . . 10.0 109.923 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 246' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.27 -58.19 9.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.054 -0.521 . . . . 10.0 111.717 -179.524 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . 82.9 mt -75.84 -43.45 45.82 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.168 0.432 . . . . 10.0 112.168 -179.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -59.14 -51.26 70.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.409 -0.359 . . . . 10.0 111.77 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -68.61 -32.79 72.93 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.95 0.352 . . . . 10.0 111.95 -179.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 250' ' ' VAL . . . . . . . . . . . . . 1.8 p -68.56 -29.49 44.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 120.291 -0.564 . . . . 10.0 110.269 179.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -83.98 -41.4 17.33 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.209 0.528 . . . . 10.0 109.848 178.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -62.95 -39.45 94.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.342 0.591 . . . . 10.0 109.695 178.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -87.79 -3.81 58.92 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.683 -0.69 . . . . 10.0 110.635 179.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 254' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.5 -31.66 53.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 109.872 -0.418 . . . . 10.0 109.872 179.634 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -65.06 -62.53 4.64 Favored Pre-proline 0 N--CA 1.45 -0.451 0 CA-C-N 115.823 -0.626 . . . . 10.0 111.521 179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -57.62 -35.68 98.76 Favored 'Trans proline' 0 C--N 1.357 0.977 0 C-N-CA 121.948 1.765 . . . . 10.0 112.447 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 4.6 m-30 -68.95 -53.63 19.77 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.864 0.364 . . . . 10.0 110.719 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 43.7 mt -65.03 -43.73 91.44 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-N 116.523 -0.308 . . . . 10.0 110.896 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -57.55 -45.56 84.98 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 123.529 0.518 . . . . 10.0 111.265 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -64.22 -51.71 62.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.29 -0.414 . . . . 10.0 111.053 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -66.05 -36.9 84.47 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 115.914 -0.584 . . . . 10.0 112.182 -179.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -69.51 -39.38 77.61 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.98 -0.378 . . . . 10.0 109.98 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 15.2 ttmt -63.01 -45.04 94.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.868 -0.605 . . . . 10.0 109.37 178.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 264' ' ' LYS . . . . . . . . . . . . . 77.7 mttt -68.62 -41.09 79.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.587 -0.733 . . . . 10.0 110.245 178.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 1.9 m95 -59.75 -38.46 81.82 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.343 -0.614 . . . . 10.0 109.343 178.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -62.61 -45.83 91.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.837 -0.619 . . . . 10.0 109.589 178.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -64.48 -41.63 96.36 Favored 'General case' 0 C--O 1.232 0.146 0 N-CA-C 109.471 -0.566 . . . . 10.0 109.471 178.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -59.14 -45.43 90.97 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.747 -0.66 . . . . 10.0 110.276 178.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 79.8 mmm -68.41 -43.77 76.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.789 -0.641 . . . . 10.0 110.588 179.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -60.48 -50.21 74.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.735 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 81.0 mt -61.47 -35.94 79.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.04 0.448 . . . . 10.0 110.237 179.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.52 -37.67 83.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.198 178.734 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -75.55 -31.71 60.16 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.357 -0.383 . . . . 10.0 111.025 179.026 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -71.91 -21.34 61.64 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.304 -0.628 . . . . 10.0 109.304 178.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 275' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -96.89 -37.44 10.22 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 115.656 -0.702 . . . . 10.0 110.924 179.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 4.1 p -55.53 -33.61 33.06 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.236 0 N-CA-C 112.733 0.642 . . . . 10.0 112.733 -178.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 83.1 mt-10 -65.12 -62.37 4.84 Favored Pre-proline 0 CA--C 1.535 0.378 0 N-CA-C 111.632 0.234 . . . . 10.0 111.632 179.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -62.42 -35.39 72.49 Favored 'Trans proline' 0 C--N 1.354 0.831 0 C-N-CA 121.557 1.505 . . . . 10.0 111.839 178.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 17.1 mt -65.46 -44.81 86.04 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.624 0.249 . . . . 10.0 110.455 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 33.9 ttm180 -65.0 -35.88 82.62 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.541 -0.54 . . . . 10.0 109.541 179.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -64.0 -44.93 91.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.997 -0.547 . . . . 10.0 109.721 178.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -65.23 -43.0 92.87 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.606 -0.516 . . . . 10.0 109.606 178.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 37.4 mt -63.55 -40.81 97.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.664 -0.698 . . . . 10.0 110.533 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -63.68 -53.0 58.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.737 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -63.73 -40.96 98.03 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.99 0.424 . . . . 10.0 110.373 179.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -63.49 -43.0 98.8 Favored Glycine 0 N--CA 1.446 -0.699 0 N-CA-C 110.71 -0.956 . . . . 10.0 110.71 178.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -64.67 -47.11 79.65 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.792 -0.447 . . . . 10.0 109.792 179.06 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 61.6 mtt180 -52.32 -47.04 66.22 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.941 179.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 5.1 tm0? -60.24 -51.0 71.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.852 179.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 42.1 mttt -67.15 -34.79 78.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.808 -0.633 . . . . 10.0 111.681 -178.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 80.6 mt -68.63 -43.07 77.1 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.013 -0.366 . . . . 10.0 110.013 179.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -66.8 -36.33 82.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.014 -0.539 . . . . 10.0 109.727 178.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.73 -39.41 94.0 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 109.063 -0.717 . . . . 10.0 109.063 178.29 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 63.3 mt -67.76 -43.28 80.22 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-N 115.705 -0.68 . . . . 10.0 110.275 179.07 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -61.56 -39.93 92.9 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.976 0.417 . . . . 10.0 110.477 179.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -64.12 -9.3 15.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.416 -0.811 . . . . 10.0 112.105 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp -116.94 -26.92 6.72 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.884 0.373 . . . . 10.0 109.999 178.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 28.4 mt -72.13 -30.87 65.47 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.175 -0.466 . . . . 10.0 111.557 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 299' ' ' SER . . . . . . . . . . . . . 6.6 m -77.67 -63.97 0.44 Allowed Pre-proline 0 C--N 1.323 -0.554 0 N-CA-C 112.68 0.622 . . . . 10.0 112.68 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 300' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -61.58 -51.99 3.57 Favored 'Trans proline' 0 C--N 1.356 0.939 0 C-N-CA 122.122 1.881 . . . . 10.0 112.425 -179.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 81.1 mt -71.9 -20.77 61.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.944 0.402 . . . . 10.0 110.241 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -73.28 -53.02 8.0 Favored Glycine 0 N--CA 1.449 -0.462 0 N-CA-C 110.627 -0.989 . . . . 10.0 110.627 179.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -64.03 -38.51 91.34 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.784 -0.45 . . . . 10.0 109.784 179.186 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.53 -44.14 95.09 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.452 -0.573 . . . . 10.0 109.452 178.405 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 9.9 tpt -64.56 -37.63 88.2 Favored 'General case' 0 C--O 1.226 -0.163 0 N-CA-C 109.23 -0.656 . . . . 10.0 109.23 178.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 -63.92 -41.4 97.66 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.971 -0.559 . . . . 10.0 109.56 178.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -68.9 -36.92 78.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.942 -0.572 . . . . 10.0 109.901 179.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 25.2 mmt180 -68.33 -33.79 74.94 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.013 -0.736 . . . . 10.0 109.013 177.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -64.99 -37.91 89.21 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.306 -0.998 . . . . 10.0 108.306 177.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 310' ' ' ARG . . . . . . . . . . . . . 79.0 mtt180 -60.83 -42.08 97.02 Favored 'General case' 0 C--O 1.223 -0.309 0 N-CA-C 108.55 -0.907 . . . . 10.0 108.55 177.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -67.53 -39.37 85.04 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.778 -0.646 . . . . 10.0 109.9 178.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -59.74 -52.32 66.0 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 108.983 -0.747 . . . . 10.0 108.983 178.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 91.0 t -67.2 -37.37 79.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.397 -0.82 . . . . 10.0 111.13 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -60.17 -45.4 93.21 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-O 120.937 0.398 . . . . 10.0 110.094 179.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -63.5 -39.77 95.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.864 -0.607 . . . . 10.0 109.738 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 74.8 mt -65.47 -51.03 63.0 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 115.715 -0.675 . . . . 10.0 110.069 178.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 19.1 ttm180 -57.72 -49.41 76.63 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.005 -0.543 . . . . 10.0 111.077 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 16.7 m -64.4 -31.21 72.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.225 -0.443 . . . . 10.0 111.652 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -83.08 -41.36 18.69 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.957 -0.297 . . . . 10.0 111.44 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 85.3 mt -71.7 -18.27 62.17 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.607 -0.27 . . . . 10.0 111.572 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -55.85 -58.87 13.54 Favored Pre-proline 0 CA--C 1.538 0.489 0 N-CA-C 112.017 0.376 . . . . 10.0 112.017 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -76.34 -27.72 7.67 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 121.499 1.466 . . . . 10.0 110.869 178.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 10.5 m-30 -63.12 -42.16 99.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.18 -0.464 . . . . 10.0 111.674 -179.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 5.7 p -64.59 -38.08 89.79 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.039 -0.356 . . . . 10.0 110.039 179.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -67.17 -46.53 73.71 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 115.838 -0.619 . . . . 10.0 109.399 178.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.8 -34.9 76.73 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.013 178.789 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 22.8 mt -65.54 -37.47 86.82 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.36 -0.607 . . . . 10.0 109.36 177.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 66.1 mtt180 -65.83 -38.12 88.04 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 108.856 -0.794 . . . . 10.0 108.856 178.092 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -63.26 -42.28 99.14 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 108.933 -0.766 . . . . 10.0 108.933 178.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 50.1 mtt-85 -64.23 -49.11 73.25 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-N 115.575 -0.738 . . . . 10.0 109.714 178.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 72.3 mt -58.18 -44.39 87.98 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.758 -0.655 . . . . 10.0 110.312 179.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -60.69 -50.19 74.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.482 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -60.99 -42.93 99.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.686 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 72.5 mtt-85 -65.63 -48.39 72.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.192 -0.458 . . . . 10.0 111.086 179.388 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 49.7 mt -61.65 -39.98 93.26 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.288 -0.414 . . . . 10.0 110.921 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -67.95 -44.56 76.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.567 -0.288 . . . . 10.0 110.828 179.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -63.64 -46.98 83.2 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.905 -0.406 . . . . 10.0 109.905 179.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 75.2 mt -69.64 -16.38 63.36 Favored 'General case' 0 C--O 1.225 -0.235 0 CA-C-N 115.93 -0.577 . . . . 10.0 111.806 179.427 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 13.4 tttt -75.99 -45.1 36.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.276 0.56 . . . . 10.0 109.726 178.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -71.46 -44.58 64.51 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.551 -0.907 . . . . 10.0 108.551 178.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -62.75 -52.01 64.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 114.935 -1.03 . . . . 10.0 109.705 179.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -62.45 -40.02 98.55 Favored Glycine 0 N--CA 1.449 -0.474 0 CA-C-N 115.795 -0.639 . . . . 10.0 111.886 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -61.53 -39.7 97.7 Favored Glycine 0 N--CA 1.453 -0.212 0 N-CA-C 111.003 -0.839 . . . . 10.0 111.003 179.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -70.63 -41.37 72.28 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.486 -0.561 . . . . 10.0 109.486 178.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 52.5 mtm180 -62.42 -41.18 98.5 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.611 -0.722 . . . . 10.0 110.223 179.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 80.5 mt -63.15 -43.39 98.45 Favored 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 109.872 -0.418 . . . . 10.0 109.872 178.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.15 -40.89 91.41 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 109.372 -0.603 . . . . 10.0 109.372 178.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -69.61 -41.55 75.55 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.588 -0.733 . . . . 10.0 109.919 178.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -59.76 -40.76 89.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.403 179.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 28.8 m-70 -64.25 -41.23 97.05 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.676 -0.49 . . . . 10.0 109.676 178.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -65.16 -47.15 78.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.741 -0.663 . . . . 10.0 109.857 178.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 24.8 mttm -61.15 -42.4 98.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.952 -0.567 . . . . 10.0 109.951 178.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.38 -39.16 82.44 Favored 'General case' 0 C--O 1.224 -0.282 0 N-CA-C 109.493 -0.558 . . . . 10.0 109.493 178.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 27.3 m -63.97 -43.2 96.49 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.962 -0.563 . . . . 10.0 109.981 178.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -65.89 -38.88 89.91 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.004 0.43 . . . . 10.0 110.345 178.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 36.4 m-70 -68.69 -28.68 67.07 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.849 -0.614 . . . . 10.0 109.906 178.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 40.0 mt -77.04 -43.93 32.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.96 -0.564 . . . . 10.0 111.285 179.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -61.48 -37.89 85.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.027 0.441 . . . . 10.0 110.428 179.672 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 4.0 p -77.24 -28.04 53.53 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.175 0.512 . . . . 10.0 110.048 178.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 60.3 tp -69.35 -31.37 69.75 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.733 -0.667 . . . . 10.0 109.202 178.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 32.8 m -61.22 -32.18 71.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.031 178.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -69.36 -25.74 64.33 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.75 -0.659 . . . . 10.0 109.97 178.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 363' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -86.69 -40.54 14.98 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.064 -0.516 . . . . 10.0 109.624 178.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -70.93 -27.99 64.18 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.684 -0.689 . . . . 10.0 112.607 -178.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 21.7 mttt -110.78 -78.53 0.01 OUTLIER Pre-proline 0 CA--C 1.54 0.572 0 N-CA-C 113.223 0.823 . . . . 10.0 113.223 -179.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -55.92 -54.14 4.52 Favored 'Trans proline' 0 C--N 1.36 1.16 0 C-N-CA 122.525 2.15 . . . . 10.0 113.512 -178.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 367' ' ' ALA . . . . . . . . . . . . . . . -60.63 -52.19 66.2 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.44 0.162 . . . . 10.0 111.231 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 2.5 mt -59.3 -36.39 75.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.385 -0.37 . . . . 10.0 111.412 179.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -69.7 -43.42 72.46 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.303 -0.258 . . . . 10.0 110.303 179.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -62.46 -40.92 98.18 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 108.854 -0.795 . . . . 10.0 108.854 178.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 95.9 mt -65.62 -46.58 78.72 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-N 115.42 -0.809 . . . . 10.0 109.92 178.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 43.6 mtt180 -61.65 -49.37 76.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.762 179.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -64.81 -25.51 67.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.038 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -85.71 -32.76 17.72 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.869 -0.682 . . . . 10.0 111.433 179.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 60.6 mt -74.81 -28.42 60.7 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 122.034 0.134 . . . . 10.0 111.154 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 90.0 mt -50.85 -59.95 6.48 Favored Pre-proline 0 CA--C 1.535 0.388 0 O-C-N 123.178 0.299 . . . . 10.0 111.727 179.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -64.78 -25.71 60.62 Favored 'Trans proline' 0 C--N 1.359 1.116 0 C-N-CA 121.909 1.739 . . . . 10.0 111.433 179.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 41.6 t -68.32 -42.16 84.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 N-CA-C 109.229 -0.656 . . . . 10.0 109.229 178.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 94.8 mt -66.85 -34.9 78.81 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.993 -0.548 . . . . 10.0 109.65 178.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -69.07 -46.47 67.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.593 179.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 2.4 p -64.85 -36.06 83.12 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.387 -0.597 . . . . 10.0 109.387 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -64.92 -37.19 86.8 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 115.674 -0.694 . . . . 10.0 109.981 178.261 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -58.27 -42.44 86.53 Favored 'General case' 0 C--O 1.231 0.122 0 N-CA-C 109.462 -0.569 . . . . 10.0 109.462 178.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 47.6 t -63.24 -38.43 82.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.746 -0.661 . . . . 10.0 109.854 178.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 5.9 m -70.15 -42.69 72.21 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.844 179.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -66.27 -48.01 71.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.787 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 92.6 mt -59.47 -43.38 93.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.344 -0.389 . . . . 10.0 111.328 -179.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 15.0 p -68.84 -41.46 78.47 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 116.578 -0.283 . . . . 10.0 110.768 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -61.11 -44.84 96.73 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.45 -0.341 . . . . 10.0 110.85 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 82.2 mt -62.31 -38.35 89.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.127 179.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -65.76 -41.37 92.18 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.723 -0.671 . . . . 10.0 109.855 178.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -56.72 -47.0 80.95 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.132 0.491 . . . . 10.0 109.935 178.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -60.63 -47.5 85.95 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.604 -0.725 . . . . 10.0 110.642 179.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 3.6 m -68.85 -21.4 64.28 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.805 -0.634 . . . . 10.0 112.285 -178.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -88.52 -38.29 15.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 122.213 -0.304 . . . . 10.0 111.563 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -90.74 -32.3 16.2 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 113.546 0.943 . . . . 10.0 113.546 -178.092 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 85.7 mt -110.1 43.46 1.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.511 0.56 . . . . 10.0 112.511 -178.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 49.6 t30 . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 116.575 -0.284 . . . . 10.0 110.698 179.236 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 3.4 mm? . . . . . 0 N--CA 1.455 -0.18 0 CA-C-O 121.256 0.55 . . . . 10.0 110.333 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.07 22.28 16.23 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.587 -0.733 . . . . 10.0 109.831 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 59.7 mt -66.57 -17.28 64.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.655 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 72.9 mt -69.95 -30.7 68.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.824 -0.625 . . . . 10.0 109.54 178.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -81.31 -41.88 21.45 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.693 -0.685 . . . . 10.0 109.562 179.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -63.22 -45.62 90.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.527 -0.76 . . . . 10.0 110.043 179.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -67.04 -28.19 68.02 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.149 0.5 . . . . 10.0 110.057 179.037 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -61.19 -44.34 97.45 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.788 -0.642 . . . . 10.0 109.356 178.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 1.3 m -62.9 -37.09 85.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.723 -0.671 . . . . 10.0 109.667 179.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 52.7 t -65.92 -34.49 70.63 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-N 115.442 -0.799 . . . . 10.0 109.331 178.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 17.7 m -68.41 -42.79 78.47 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.643 -0.708 . . . . 10.0 109.563 178.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 1.6 m -63.12 -44.79 94.66 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.008 -0.542 . . . . 10.0 110.34 179.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -64.48 -37.42 87.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.766 179.411 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -58.93 -46.79 87.11 Favored 'General case' 0 C--O 1.232 0.159 0 N-CA-C 109.682 -0.488 . . . . 10.0 109.682 178.11 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 8.0 m -65.52 -37.81 87.85 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.812 -0.631 . . . . 10.0 109.578 178.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 29.6 mmtt -62.41 -37.44 85.84 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-O 121.233 0.539 . . . . 10.0 110.056 178.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 92.7 mt -67.54 -37.25 82.45 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 109.232 -0.655 . . . . 10.0 109.232 178.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -68.44 -34.45 76.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.104 178.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -66.2 -22.35 66.34 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 115.779 -0.646 . . . . 10.0 109.815 178.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -90.94 -57.02 2.95 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.345 -0.843 . . . . 10.0 108.736 178.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 36.7 mt -43.5 -52.6 6.04 Favored 'General case' 0 C--O 1.222 -0.344 0 O-C-N 123.819 0.699 . . . . 10.0 112.611 -179.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -50.63 -78.05 0.11 Allowed Glycine 0 CA--C 1.524 0.607 0 C-N-CA 121.275 -0.488 . . . . 10.0 113.015 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -54.4 -40.18 84.2 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 123.134 2.556 . . . . 10.0 112.895 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 41.3 t -62.68 -49.39 83.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 112.405 0.52 . . . . 10.0 112.405 -179.146 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 26.0 p -61.94 -31.62 71.97 Favored 'General case' 0 C--N 1.333 -0.124 0 C-N-CA 120.581 -0.448 . . . . 10.0 111.237 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -59.43 -56.45 21.9 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.896 0.379 . . . . 10.0 110.217 179.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -74.08 -29.42 61.87 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.2 -0.455 . . . . 10.0 111.537 179.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -63.96 -41.13 97.66 Favored 'General case' 0 CA--C 1.52 -0.195 0 N-CA-C 109.371 -0.603 . . . . 10.0 109.371 178.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 5.8 m95 -68.12 -37.44 81.12 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.843 -0.617 . . . . 10.0 109.614 178.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -67.57 -33.56 75.28 Favored 'General case' 0 C--N 1.334 -0.097 0 N-CA-C 108.744 -0.836 . . . . 10.0 108.744 177.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -64.26 -40.38 95.88 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.116 -1.068 . . . . 10.0 108.116 177.211 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 94.4 mt -62.73 -36.39 82.84 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.454 -0.794 . . . . 10.0 108.956 178.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -65.28 -40.94 94.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.002 -0.545 . . . . 10.0 109.808 178.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 57.2 mttp -63.31 -45.58 90.69 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.833 -0.803 . . . . 10.0 108.833 178.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 74.2 mt-10 -63.91 -51.2 65.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.547 -0.752 . . . . 10.0 111.716 179.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 2.8 p -57.17 -47.69 80.59 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.659 0.244 . . . . 10.0 111.659 -179.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -64.83 -43.44 93.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.714 0.292 . . . . 10.0 110.9 179.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -62.72 -50.6 62.61 Favored Glycine 0 N--CA 1.45 -0.389 0 N-CA-C 111.031 -0.828 . . . . 10.0 111.031 179.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 89.6 mt -61.43 -30.42 70.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.788 0.328 . . . . 10.0 110.427 179.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 24.9 mtt180 -67.2 -40.29 86.45 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-N 116.339 -0.391 . . . . 10.0 110.278 178.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -63.03 -39.23 94.14 Favored 'General case' 0 CA--C 1.522 -0.13 0 N-CA-C 109.31 -0.626 . . . . 10.0 109.31 178.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -71.43 -42.03 68.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.349 -0.841 . . . . 10.0 110.568 179.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 34.6 mmm -72.05 -38.88 69.41 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 113.385 0.883 . . . . 10.0 113.385 -179.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 9.4 p -63.01 -46.28 88.38 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.924 0.393 . . . . 10.0 109.954 179.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.2 -24.75 63.17 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.925 -0.58 . . . . 10.0 109.915 178.719 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -75.94 -58.63 3.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.58 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 75.7 mt -63.26 -43.24 98.53 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 112.838 0.681 . . . . 10.0 112.838 -178.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -61.25 -40.77 95.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.072 0.463 . . . . 10.0 110.919 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 447' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -77.09 -24.55 51.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.635 -0.711 . . . . 10.0 109.582 178.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 1.4 t -67.04 -36.0 75.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 N-CA-C 109.238 -0.653 . . . . 10.0 109.238 178.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.01 -26.79 69.02 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.429 -0.952 . . . . 10.0 108.429 177.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -100.01 20.6 14.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.204 -0.907 . . . . 10.0 109.804 178.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 32.5 mmtm -128.03 -49.92 1.33 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.723 -0.671 . . . . 10.0 110.058 179.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 61.8 t -64.49 -42.78 96.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.014 -0.539 . . . . 10.0 111.028 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -60.63 -57.63 25.13 Favored Pre-proline 0 CA--C 1.537 0.459 0 N-CA-C 112.567 0.58 . . . . 10.0 112.567 -179.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -63.06 -34.51 69.72 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 121.898 1.732 . . . . 10.0 111.638 179.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -70.03 -36.51 75.11 Favored 'General case' 0 C--O 1.224 -0.25 0 N-CA-C 109.978 -0.379 . . . . 10.0 109.978 178.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 2.0 mt -63.17 -43.18 98.97 Favored 'General case' 0 C--O 1.221 -0.427 0 N-CA-C 109.182 -0.673 . . . . 10.0 109.182 178.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -64.81 -43.81 91.92 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.286 -0.635 . . . . 10.0 109.286 178.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 458' ' ' ASP . . . . . 0.509 ' CG ' ' HZ2' ' D' ' 462' ' ' LYS . 16.4 t70 -61.07 -45.55 94.29 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 115.372 -0.831 . . . . 10.0 110.618 179.37 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -69.05 -44.74 72.03 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.564 -0.743 . . . . 10.0 110.311 179.362 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -58.94 -39.27 81.11 Favored 'General case' 0 C--O 1.224 -0.237 0 CA-C-N 116.484 -0.325 . . . . 10.0 110.426 179.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 64.4 mttt -61.99 -44.65 96.28 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 110.028 -0.36 . . . . 10.0 110.028 178.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 462' ' ' LYS . . . . . 0.509 ' HZ2' ' CG ' ' D' ' 458' ' ' ASP . 21.6 mtmm -68.15 -36.99 80.55 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.573 -0.529 . . . . 10.0 109.573 179.048 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 35.6 m0 -64.06 -40.86 97.2 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 108.727 -0.842 . . . . 10.0 108.727 177.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -61.32 -48.44 81.35 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-N 115.476 -0.784 . . . . 10.0 109.027 178.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 465' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -55.87 -57.03 13.78 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.47 -0.787 . . . . 10.0 109.481 179.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.22 -44.8 79.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.278 -0.419 . . . . 10.0 111.474 -179.632 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 61.1 mtm -62.97 -46.61 86.91 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.687 -0.233 . . . . 10.0 111.181 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -64.73 -37.46 87.67 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-O 121.02 0.438 . . . . 10.0 110.175 178.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 469' ' ' LEU . . . . . . . . . . . . . 87.3 mt -64.48 -39.65 94.21 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 115.685 -0.689 . . . . 10.0 109.176 178.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 13.2 m-30 -65.51 -34.09 77.45 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 109.517 -0.549 . . . . 10.0 109.517 178.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 75.7 mtt180 -69.76 -19.02 63.54 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.495 178.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -108.31 -1.6 19.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.968 -0.56 . . . . 10.0 110.666 179.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 473' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -123.46 -70.98 0.74 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.403 -0.362 . . . . 10.0 110.785 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 60.8 t -57.23 -39.67 68.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.508 -0.314 . . . . 10.0 111.753 -179.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -61.64 -60.23 11.0 Favored Pre-proline 0 CA--C 1.536 0.434 0 N-CA-C 112.798 0.666 . . . . 10.0 112.798 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -65.21 -36.45 36.43 Favored 'Trans proline' 0 C--N 1.355 0.878 0 C-N-CA 121.654 1.57 . . . . 10.0 111.547 178.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 29.6 mt -66.83 -28.45 68.37 Favored 'General case' 0 C--O 1.223 -0.303 0 CA-C-O 120.696 0.284 . . . . 10.0 110.253 178.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 11.5 ttt180 -62.52 -40.21 96.01 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.521 -0.918 . . . . 10.0 108.521 178.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -71.66 -37.8 70.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.304 -0.862 . . . . 10.0 109.674 178.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.27 -42.94 92.71 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.371 -0.603 . . . . 10.0 109.371 179.042 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 55.7 mt -70.98 -27.5 63.75 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.592 -0.731 . . . . 10.0 109.76 178.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -68.79 -47.09 67.0 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 108.725 -0.843 . . . . 10.0 108.725 177.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.6 -40.8 93.06 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.14 -0.689 . . . . 10.0 109.14 178.433 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -63.44 -38.85 97.01 Favored Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 110.571 -1.012 . . . . 10.0 110.571 178.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -68.05 -45.27 74.34 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 109.557 -0.534 . . . . 10.0 109.557 178.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 60.3 mtt85 -59.95 -42.25 93.65 Favored 'General case' 0 CA--C 1.515 -0.375 0 N-CA-C 109.829 -0.434 . . . . 10.0 109.829 178.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -46.54 88.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.711 -0.677 . . . . 10.0 109.345 178.243 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 16.1 tptm -63.04 -41.03 99.41 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.796 -0.638 . . . . 10.0 109.942 179.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 70.4 mt -64.91 -39.67 93.89 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.025 179.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 42.8 t60 -64.77 -45.65 85.47 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.99 -0.744 . . . . 10.0 108.99 178.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 -56.23 -42.2 76.93 Favored 'General case' 0 N--CA 1.457 -0.123 0 N-CA-C 108.45 -0.944 . . . . 10.0 108.45 178.054 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 50.4 mt -67.12 -42.64 84.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.281 -0.872 . . . . 10.0 110.961 179.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -57.55 -44.25 85.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.013 0.435 . . . . 10.0 110.87 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -73.24 7.95 1.94 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.855 -0.611 . . . . 10.0 111.712 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 495' ' ' LYS . . . . . . . . . . . . . 24.7 mttp -125.21 -44.33 1.89 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.144 0.497 . . . . 10.0 109.748 178.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 95.4 mt -62.57 -26.49 68.61 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.677 -0.692 . . . . 10.0 111.834 -179.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 497' ' ' SER . . . . . . . . . . . . . 6.5 m -83.46 -62.59 0.28 Allowed Pre-proline 0 C--N 1.321 -0.658 0 C-N-CA 120.751 -0.379 . . . . 10.0 111.953 179.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 498' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_endo -63.07 -48.65 6.07 Favored 'Trans proline' 0 C--N 1.358 1.054 0 C-N-CA 121.783 1.655 . . . . 10.0 112.116 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 499' ' ' LEU . . . . . . . . . . . . . 42.7 mt -76.19 -27.02 56.73 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.853 0.359 . . . . 10.0 110.234 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -67.19 -50.64 44.04 Favored Glycine 0 N--CA 1.446 -0.653 0 N-CA-C 110.083 -1.207 . . . . 10.0 110.083 178.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -66.6 -28.51 68.56 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 109.351 -0.611 . . . . 10.0 109.351 178.388 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 502' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -69.04 -45.54 70.19 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 109.235 -0.654 . . . . 10.0 109.235 178.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 83.8 mmm -61.05 -38.47 86.28 Favored 'General case' 0 CA--C 1.519 -0.228 0 N-CA-C 109.853 -0.425 . . . . 10.0 109.853 179.07 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -69.05 -37.27 78.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.77 -0.65 . . . . 10.0 109.844 178.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -69.85 -36.19 75.34 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 109.462 -0.57 . . . . 10.0 109.462 178.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 506' ' ' ARG . . . . . . . . . . . . . 47.7 mtt180 -64.35 -41.69 96.62 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 107.327 -1.36 . . . . 10.0 107.327 177.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -60.5 -38.75 85.35 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.064 -0.971 . . . . 10.0 109.403 178.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 508' ' ' ARG . . . . . . . . . . . . . 62.3 mtt180 -60.6 -47.61 85.44 Favored 'General case' 0 C--O 1.22 -0.457 0 N-CA-C 109.011 -0.737 . . . . 10.0 109.011 178.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -65.78 -32.94 74.76 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.085 179.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -69.19 -55.53 10.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.939 -0.573 . . . . 10.0 109.601 178.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 58.3 t -64.31 -39.47 85.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.745 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -56.93 -43.99 82.02 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 109.477 -0.564 . . . . 10.0 109.477 178.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -61.64 -48.71 79.64 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.384 -0.826 . . . . 10.0 108.948 178.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 514' ' ' LEU . . . . . . . . . . . . . 91.8 mt -58.43 -33.57 69.84 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.578 -0.737 . . . . 10.0 111.206 179.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 515' ' ' ARG . . . . . . . . . . . . . 28.3 mtt180 -63.81 -28.37 69.81 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.82 0.343 . . . . 10.0 110.157 178.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.25 6.94 22.94 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.834 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -117.72 -56.66 2.18 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.271 -0.422 . . . . 10.0 111.001 -179.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 79.8 mt -73.93 -51.68 15.3 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.121 -0.491 . . . . 10.0 111.624 -179.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 519' ' ' ALA . . . . . . . . . . . . . . . -50.46 -57.37 13.31 Favored Pre-proline 0 N--CA 1.466 0.344 0 N-CA-C 112.958 0.725 . . . . 10.0 112.958 -179.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 520' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_exo -60.82 -41.21 47.61 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 121.988 1.792 . . . . 10.0 111.312 179.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -64.6 -42.76 95.35 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.297 -0.41 . . . . 10.0 111.492 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 7.3 p -63.98 -28.82 70.07 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.829 0.347 . . . . 10.0 110.82 179.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -70.21 -41.9 73.03 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 108.821 -0.807 . . . . 10.0 108.821 178.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -71.1 -31.43 67.78 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.243 -0.89 . . . . 10.0 109.132 178.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 23.1 mt -63.08 -36.0 82.12 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 108.844 -0.799 . . . . 10.0 108.844 177.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 526' ' ' ARG . . . . . . . . . . . . . 61.4 mtt85 -63.82 -37.82 88.81 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.537 -0.542 . . . . 10.0 109.537 178.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -65.19 -41.62 94.38 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.305 -0.628 . . . . 10.0 109.305 178.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 528' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -67.49 -45.56 75.51 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.394 -0.821 . . . . 10.0 109.588 179.144 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 74.0 mt -63.26 -34.86 78.6 Favored 'General case' 0 C--O 1.219 -0.502 0 CA-C-N 115.713 -0.676 . . . . 10.0 110.147 179.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -64.19 -42.76 96.53 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 116.393 -0.367 . . . . 10.0 110.209 178.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -68.66 -38.35 80.35 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.407 -0.59 . . . . 10.0 109.407 178.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 7.4 ttm180 -65.93 -44.79 84.07 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.601 -0.727 . . . . 10.0 109.425 178.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 36.4 mt -66.04 -33.57 76.11 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 115.648 -0.705 . . . . 10.0 109.548 178.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -60.82 -44.72 96.54 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 108.505 -0.924 . . . . 10.0 108.505 178.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -70.42 -34.6 72.69 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.526 -0.761 . . . . 10.0 109.414 178.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 73.5 mt -68.44 -30.12 68.93 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.246 -0.433 . . . . 10.0 111.321 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -82.42 -35.88 27.18 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.194 -0.669 . . . . 10.0 109.194 178.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -68.0 -53.03 29.0 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.018 -0.734 . . . . 10.0 109.018 178.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -67.0 -34.25 77.34 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.462 -0.79 . . . . 10.0 109.279 178.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -63.16 -53.63 38.62 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 111.46 -0.656 . . . . 10.0 111.46 179.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -58.81 -40.7 95.42 Favored Glycine 0 N--CA 1.451 -0.309 0 N-CA-C 111.211 -0.755 . . . . 10.0 111.211 178.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -63.85 -49.0 74.5 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 109.365 -0.605 . . . . 10.0 109.365 178.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 60.1 mtt85 -63.54 -31.14 72.22 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-N 115.998 -0.546 . . . . 10.0 111.3 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 65.3 mt -62.82 -44.51 95.96 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.082 -0.711 . . . . 10.0 109.082 178.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -66.99 -41.3 87.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.731 -0.668 . . . . 10.0 109.984 178.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -64.15 -47.35 80.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.598 178.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -58.86 -47.9 83.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.145 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -64.59 -41.54 96.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.102 -0.499 . . . . 10.0 111.183 179.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -61.09 -54.5 43.86 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.033 0.444 . . . . 10.0 110.067 179.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.6 -30.61 71.7 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 116.086 -0.506 . . . . 10.0 110.621 179.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -68.98 -37.28 78.68 Favored 'General case' 0 CA--C 1.519 -0.243 0 N-CA-C 109.688 -0.486 . . . . 10.0 109.688 178.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 24.6 m -67.37 -45.52 76.03 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.982 -0.748 . . . . 10.0 108.982 178.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -62.62 -40.82 98.17 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 109.17 -0.678 . . . . 10.0 109.17 178.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 18.3 t60 -65.06 -38.75 91.84 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 109.201 -0.666 . . . . 10.0 109.201 178.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 36.9 tp -63.39 -40.76 98.1 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 109.779 -0.452 . . . . 10.0 109.779 178.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 14.4 m -65.23 -38.49 90.57 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 109.258 -0.645 . . . . 10.0 109.258 178.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 13.4 m -68.88 -33.45 73.8 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 108.861 -0.792 . . . . 10.0 108.861 178.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 40.0 mt -61.75 -49.83 74.84 Favored 'General case' 0 C--O 1.221 -0.417 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.771 178.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.41 -32.23 72.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.935 0.397 . . . . 10.0 110.2 178.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -64.2 -26.21 68.42 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.722 -0.672 . . . . 10.0 110.37 179.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 7.0 mptt -101.65 -43.2 5.94 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.397 -0.365 . . . . 10.0 111.402 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -55.76 -46.41 77.89 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.083 0.401 . . . . 10.0 112.083 -179.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 24.0 mmtp -53.99 -63.13 2.89 Favored Pre-proline 0 CA--C 1.538 0.501 0 N-CA-C 112.823 0.675 . . . . 10.0 112.823 -179.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -66.35 -35.26 32.09 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 121.743 1.629 . . . . 10.0 112.76 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -65.9 -51.31 59.81 Favored 'General case' 0 C--O 1.226 -0.179 0 C-N-CA 121.228 -0.189 . . . . 10.0 110.955 -179.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 65.3 mt -63.53 -46.28 86.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.696 -0.229 . . . . 10.0 110.966 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -62.12 -48.07 81.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.754 0.311 . . . . 10.0 111.462 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -66.0 -38.32 88.17 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.938 -0.305 . . . . 10.0 110.721 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 1.5 mt -63.0 -45.15 93.75 Favored 'General case' 0 C--O 1.225 -0.217 0 N-CA-C 109.28 -0.637 . . . . 10.0 109.28 178.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -61.64 -44.8 96.29 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.352 179.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -72.23 -13.73 61.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.474 -0.33 . . . . 10.0 111.562 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -95.16 -36.34 5.48 Favored Glycine 0 N--CA 1.449 -0.478 0 N-CA-C 111.187 -0.765 . . . . 10.0 111.187 179.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 92.9 mt -72.52 -34.91 67.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.86 -0.17 . . . . 10.0 111.035 179.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 73.7 mt -50.77 -56.97 15.17 Favored Pre-proline 0 CA--C 1.536 0.44 0 N-CA-C 112.747 0.647 . . . . 10.0 112.747 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -74.94 -32.19 5.68 Favored 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 121.722 1.615 . . . . 10.0 112.181 179.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.3 -37.54 79.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 C-N-CA 120.998 -0.281 . . . . 10.0 111.472 -179.434 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 57.2 mt -64.14 -38.19 90.16 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 109.866 -0.42 . . . . 10.0 109.866 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -67.38 -42.45 83.37 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.152 179.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 55.7 m -63.54 -40.95 98.33 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 109.288 -0.634 . . . . 10.0 109.288 178.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -62.77 -40.83 98.53 Favored 'General case' 0 N--CA 1.457 -0.111 0 CA-C-N 115.968 -0.56 . . . . 10.0 109.945 178.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -58.63 -47.44 84.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.054 178.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 93.8 t -57.45 -48.99 81.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.607 -0.724 . . . . 10.0 110.64 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 5.7 p -65.82 -36.88 84.75 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.378 -0.373 . . . . 10.0 111.827 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 14.1 m-30 -70.04 -37.33 75.55 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.436 -0.347 . . . . 10.0 111.194 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 30.5 mt -61.04 -44.91 96.69 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.793 179.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.02 -36.41 77.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.388 0.613 . . . . 10.0 110.144 179.138 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -63.76 -50.24 69.83 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.57 -0.741 . . . . 10.0 110.57 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 90.6 mt -62.06 -44.7 96.13 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.939 -0.573 . . . . 10.0 111.404 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -60.6 -52.27 65.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 10.0 111.009 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -63.13 -39.54 94.97 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 116.48 -0.327 . . . . 10.0 111.688 -179.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 2.4 m-30 -62.91 -40.14 96.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.987 0.422 . . . . 10.0 110.461 179.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 12.4 m -72.06 -25.15 61.67 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.2 -0.454 . . . . 10.0 110.272 179.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -70.86 -40.72 72.13 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.397 0.618 . . . . 10.0 109.531 178.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -71.83 -49.99 33.59 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.604 -0.726 . . . . 10.0 109.593 179.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 96.7 mt -90.11 61.08 5.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.894 -0.594 . . . . 10.0 109.958 179.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 . . . . . 0 C--N 1.321 -0.635 0 CA-C-N 115.615 -0.721 . . . . 10.0 111.432 -179.355 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 3.8 m . . . . . 0 C--O 1.233 0.233 0 CA-C-O 120.874 0.368 . . . . 10.0 110.929 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.94 132.32 35.26 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.341 -0.39 . . . . 10.0 110.439 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -98.83 126.8 44.58 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.198 -0.297 . . . . 10.0 110.198 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -121.72 110.96 16.58 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.849 0.357 . . . . 10.0 110.796 -179.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 58.8 mttm -83.48 101.13 11.19 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.923 -0.58 . . . . 10.0 110.247 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 26.1 mt -110.29 123.95 50.75 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.698 -0.683 . . . . 10.0 110.577 -178.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 23.5 t -108.71 132.81 55.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.415 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 21.7 t -96.14 118.59 42.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 109.157 -0.683 . . . . 10.0 109.157 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 26.4 m -115.74 156.8 16.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.264 -0.425 . . . . 10.0 111.642 -179.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 156.16 164.49 13.39 Favored Glycine 0 N--CA 1.444 -0.826 0 N-CA-C 110.866 -0.893 . . . . 10.0 110.866 -179.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.23 -176.68 1.52 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.13 0.49 . . . . 10.0 111.607 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -76.77 137.07 39.06 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.033 -0.53 . . . . 10.0 111.937 -179.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 68.61 41.23 84.77 Favored Glycine 0 N--CA 1.453 -0.192 0 CA-C-N 115.354 -0.839 . . . . 10.0 114.569 178.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 30.9 m -106.92 -15.01 9.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 C-N-CA 120.489 -0.484 . . . . 10.0 111.498 179.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 113.17 16.73 8.17 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.878 -0.677 . . . . 10.0 112.977 179.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 2.5 mmmm -54.66 -58.52 7.18 Favored 'General case' 0 N--CA 1.462 0.132 0 N-CA-C 112.428 0.529 . . . . 10.0 112.428 -179.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 2.0 m -67.26 -41.06 86.17 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.061 0.393 . . . . 10.0 112.061 -178.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.0 -51.87 67.87 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.553 -0.294 . . . . 10.0 111.56 -179.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 65.7 mt -60.45 -47.42 86.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.36 -0.382 . . . . 10.0 111.834 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 24.3 m -64.46 -44.44 91.05 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.292 -0.413 . . . . 10.0 112.075 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 88.0 mt -67.14 -30.39 49.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.865 0.364 . . . . 10.0 110.586 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -63.91 -25.75 68.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.973 0.416 . . . . 10.0 111.611 179.026 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 14.3 tp -92.39 -26.62 17.95 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.059 0.457 . . . . 10.0 110.864 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 49.1 mm -90.08 -59.89 2.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 112.51 0.559 . . . . 10.0 112.51 -179.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -95.32 -15.08 23.39 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.561 0.22 . . . . 10.0 111.51 -178.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 63.2 53.02 2.33 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 114.065 1.135 . . . . 10.0 114.065 178.274 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 19.5 p80 -157.25 156.33 32.3 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.735 -0.469 . . . . 10.0 109.735 178.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -95.76 129.56 42.95 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.389 0.614 . . . . 10.0 111.912 -179.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -99.91 101.58 12.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.767 -0.651 . . . . 10.0 110.598 179.268 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -73.6 -24.92 60.12 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.365 0.603 . . . . 10.0 112.008 -179.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -85.3 117.28 24.13 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.755 -0.657 . . . . 10.0 110.451 179.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -66.35 124.45 22.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.012 0.434 . . . . 10.0 111.371 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -125.25 113.01 26.1 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.963 -0.562 . . . . 10.0 109.76 179.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -60.5 127.49 22.96 Favored 'Trans proline' 0 CA--C 1.518 -0.284 0 C-N-CA 122.93 2.42 . . . . 10.0 112.059 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' THR . . . . . 0.446 ' OG1' ' O3G' ' B' ' 201' ' ' GSP . 4.9 m -107.62 126.07 52.11 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.186 179.581 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 39.6 mm -88.32 -48.54 14.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 108.548 -0.908 . . . . 10.0 108.548 178.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -172.94 103.53 0.14 Allowed 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.389 -0.823 . . . . 10.0 109.569 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -125.61 141.71 51.88 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.568 0.223 . . . . 10.0 111.01 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -114.84 143.13 45.6 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.69 0.281 . . . . 10.0 110.722 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -136.97 134.57 36.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.819 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -114.34 140.95 48.22 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.821 0.343 . . . . 10.0 110.999 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -154.38 136.16 14.46 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.187 -0.46 . . . . 10.0 110.439 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -107.97 113.59 26.9 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.11 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 3.5 t -125.34 150.14 30.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.374 -0.376 . . . . 10.0 110.579 -179.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 2.7 t -88.82 68.92 0.64 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.412 0 CA-C-O 121.594 0.712 . . . . 10.0 109.567 179.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 64.2 mt -72.41 115.88 13.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.026 -0.988 . . . . 10.0 111.171 -179.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 61.79 22.23 12.84 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.715 -0.675 . . . . 10.0 112.349 179.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.92 -6.14 76.44 Favored Glycine 0 C--O 1.226 -0.395 0 C-N-CA 120.804 -0.713 . . . . 10.0 111.665 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -102.84 124.85 49.12 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.614 -0.513 . . . . 10.0 109.614 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 3.1 m -73.95 102.67 4.19 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.098 -0.704 . . . . 10.0 109.098 179.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 3.3 m -107.26 136.9 46.3 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.217 0.451 . . . . 10.0 112.217 -177.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 53.5 tp -98.82 107.72 20.23 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 107.762 -1.199 . . . . 10.0 107.762 177.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 48.9 mt -83.36 123.1 29.31 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.977 -0.556 . . . . 10.0 112.436 -178.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -104.86 88.31 2.87 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 107.317 -1.364 . . . . 10.0 107.317 177.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 9.7 mt -88.83 140.06 16.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 115.464 -0.789 . . . . 10.0 111.906 -177.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 32.5 tp -131.74 118.04 19.42 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.99 -0.55 . . . . 10.0 111.056 179.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -99.7 104.43 16.16 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.744 -0.836 . . . . 10.0 108.744 178.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.47 161.66 13.53 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.179 -0.464 . . . . 10.0 112.01 -178.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.37 139.42 58.76 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.076 -0.511 . . . . 10.0 111.71 -179.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -123.29 27.92 5.69 Favored Glycine 0 C--O 1.227 -0.298 0 CA-C-N 115.626 -0.716 . . . . 10.0 111.43 179.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -98.16 37.31 1.45 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.513 -0.343 . . . . 10.0 110.97 -179.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 59.54 -162.33 0.25 Allowed 'General case' 0 C--O 1.234 0.262 0 O-C-N 123.495 0.497 . . . . 10.0 110.984 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 71.98 -49.03 0.69 Allowed 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 113.419 0.896 . . . . 10.0 113.419 178.363 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -76.27 85.47 3.07 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 114.105 1.15 . . . . 10.0 114.105 -178.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.97 -41.41 8.41 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.23 -0.896 . . . . 10.0 109.622 178.418 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.24 -39.62 39.71 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.769 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 27.8 ttt -64.56 -30.51 71.54 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.648 -0.705 . . . . 10.0 110.332 179.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 12.4 ttp180 -69.5 -36.29 76.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.73 -0.668 . . . . 10.0 110.262 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.9 -20.36 65.78 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.506 -0.77 . . . . 10.0 111.974 -179.708 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -78.77 -63.46 1.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.494 0.553 . . . . 10.0 112.494 -178.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 37.4 p90 -66.16 -18.27 65.24 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 113.333 0.864 . . . . 10.0 113.333 -178.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 22.5 mtt -67.43 -27.9 67.44 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.045 0.45 . . . . 10.0 110.07 178.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -75.34 -42.13 55.01 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.69 -0.686 . . . . 10.0 110.616 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 4.2 m -75.51 -44.1 45.48 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.089 -0.505 . . . . 10.0 112.001 -179.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -59.94 132.18 50.78 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 121.194 -0.526 . . . . 10.0 112.841 -179.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -96.19 -54.71 3.2 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 121.106 0.479 . . . . 10.0 109.73 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -103.02 134.02 11.66 Favored Glycine 0 N--CA 1.447 -0.579 0 N-CA-C 110.869 -0.892 . . . . 10.0 110.869 179.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -114.11 123.87 50.7 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.631 0.729 . . . . 10.0 112.481 -179.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 16.2 tp -97.71 107.94 20.55 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.22 -0.9 . . . . 10.0 109.092 179.186 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 16.4 m -87.95 96.54 10.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.312 -0.404 . . . . 10.0 110.319 -179.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 70.0 t -100.89 123.77 54.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.672 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -132.61 145.22 50.92 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.61 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -82.29 122.17 27.6 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 108.695 -0.854 . . . . 10.0 108.695 178.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 46.6 pt -65.94 -9.76 9.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 112.509 0.559 . . . . 10.0 112.509 -178.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 23.4 p-10 -101.33 6.36 42.69 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.063 0.458 . . . . 10.0 110.96 179.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 42.3 t-20 -135.29 111.38 9.57 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.028 0.442 . . . . 10.0 110.356 179.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 4.5 m -65.11 -30.98 71.96 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.775 0.657 . . . . 10.0 112.775 -178.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 47.4 tttp -58.53 -41.59 85.87 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 121.056 -0.258 . . . . 10.0 111.368 -179.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.85 -41.64 91.87 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.585 -0.28 . . . . 10.0 110.956 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -64.35 -35.32 80.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.167 0.508 . . . . 10.0 110.801 -179.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -78.66 -35.41 45.35 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.45 -32.26 72.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.883 -0.599 . . . . 10.0 111.235 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 46.5 mm -61.92 -35.07 66.04 Favored 'Isoleucine or valine' 0 C--O 1.231 0.125 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.829 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -64.3 -37.81 88.82 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 109.869 -0.419 . . . . 10.0 109.869 179.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -64.44 -44.86 89.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.039 -0.528 . . . . 10.0 109.726 179.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 13.3 m-30 -62.54 -45.21 93.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.333 -0.849 . . . . 10.0 111.458 -179.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -55.74 -47.44 76.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.18 -0.464 . . . . 10.0 111.807 -179.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -70.02 -43.43 71.33 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.098 0.407 . . . . 10.0 112.098 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -60.99 -40.21 92.64 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.627 0.251 . . . . 10.0 110.824 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 55.8 mt -56.77 -45.08 82.89 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-O 121.094 0.473 . . . . 10.0 110.038 179.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 43.1 mtmt -70.03 -18.13 63.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.01 -0.541 . . . . 10.0 111.364 -179.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 8.4 tmm_? -88.01 -29.77 20.47 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.245 179.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 89.5 t -80.27 -55.65 8.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.266 -0.425 . . . . 10.0 111.662 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -81.91 -17.99 45.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.629 -0.259 . . . . 10.0 111.293 -179.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 23.4 t0 61.27 44.22 10.0 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.47 0.652 . . . . 10.0 111.801 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 9.7 t -140.15 143.37 36.12 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.927 -0.579 . . . . 10.0 110.305 179.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -86.31 -34.41 20.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.818 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.16 92.3 9.14 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.99 0.424 . . . . 10.0 111.446 -179.045 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 47.3 t -125.81 118.06 24.22 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 115.664 -0.698 . . . . 10.0 109.448 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -59.06 112.06 1.1 Allowed 'Trans proline' 0 N--CA 1.473 0.307 0 C-N-CA 123.034 2.489 . . . . 10.0 112.113 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 60.6 mtm -137.6 146.26 43.77 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.176 -0.465 . . . . 10.0 110.477 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 50.2 t -125.72 129.89 72.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.534 -0.543 . . . . 10.0 109.534 179.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 31.4 tp -89.86 115.8 27.46 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.174 -0.676 . . . . 10.0 109.174 178.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 77.2 t -114.19 115.21 48.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 121.159 0.504 . . . . 10.0 111.766 -178.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -91.87 112.78 4.24 Favored Glycine 0 N--CA 1.445 -0.744 0 N-CA-C 109.412 -1.475 . . . . 10.0 109.412 178.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -98.22 161.64 13.6 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 117.118 0.459 . . . . 10.0 112.135 -178.158 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 58.4 mttm 69.64 35.35 2.45 Favored 'General case' 0 N--CA 1.462 0.137 0 O-C-N 124.016 0.823 . . . . 10.0 111.942 179.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 97.4 m -68.1 -22.09 64.92 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.358 0.503 . . . . 10.0 112.358 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -72.62 -21.2 61.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.747 0.308 . . . . 10.0 110.975 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 23.6 mt -65.79 132.95 94.91 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 10.0 111.317 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -75.88 143.73 26.68 Favored 'Trans proline' 0 N--CA 1.462 -0.344 0 C-N-CA 122.647 2.232 . . . . 10.0 112.28 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 2.3 m 62.54 67.4 0.71 Allowed 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.216 -0.902 . . . . 10.0 111.775 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -72.65 159.22 34.21 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.432 -0.804 . . . . 10.0 111.378 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 1.3 m -95.01 -47.91 6.2 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.233 -0.439 . . . . 10.0 111.149 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 77.9 t -89.78 109.94 21.17 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 CA-C-O 121.195 0.522 . . . . 10.0 109.891 178.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.6 153.23 39.08 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.72 -0.673 . . . . 10.0 110.046 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 4.1 m -54.73 -34.62 62.72 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.123 -0.49 . . . . 10.0 111.125 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 9.9 pttm -57.9 -62.13 2.03 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.668 -0.696 . . . . 10.0 112.835 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -61.75 -31.31 71.48 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.066 0.395 . . . . 10.0 112.066 -178.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.32 -45.83 89.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.425 -0.352 . . . . 10.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -82.58 -20.48 36.43 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 120.878 0.37 . . . . 10.0 110.409 179.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -60.4 -40.64 91.67 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.813 -0.63 . . . . 10.0 110.673 179.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 27.6 tp -71.82 -23.99 61.64 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.926 -0.579 . . . . 10.0 111.011 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -81.32 -7.22 59.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.067 -0.515 . . . . 10.0 112.11 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 42.9 ttm105 -57.9 -57.17 13.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.098 -0.501 . . . . 10.0 111.731 -179.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 5.9 t -89.78 18.51 5.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.277 0.561 . . . . 10.0 110.738 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 3.6 m-30 -106.85 -54.4 2.48 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.868 -0.605 . . . . 10.0 109.997 179.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 101.4 -4.38 54.57 Favored Glycine 0 N--CA 1.452 -0.249 0 N-CA-C 111.422 -0.671 . . . . 10.0 111.422 -178.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 36.6 pt -89.06 153.45 49.13 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 115.702 -0.249 . . . . 10.0 110.441 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -91.51 143.67 3.04 Favored 'Trans proline' 0 N--CA 1.456 -0.71 0 C-N-CA 122.535 2.157 . . . . 10.0 112.57 179.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -110.46 129.55 55.75 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.61 -0.723 . . . . 10.0 109.646 178.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 42.3 mt -125.18 130.92 72.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.572 -0.285 . . . . 10.0 111.002 -179.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -87.07 121.16 29.15 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.575 -0.898 . . . . 10.0 108.575 178.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 59.3 p -135.28 -178.52 5.14 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.157 0.503 . . . . 10.0 112.164 -178.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -169.68 124.06 0.79 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.117 -0.947 . . . . 10.0 108.647 178.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -66.38 -30.73 71.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.243 0.544 . . . . 10.0 110.604 -178.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -65.42 -36.64 84.54 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.638 -0.71 . . . . 10.0 112.492 -179.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -96.3 -16.15 21.51 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 113.321 0.86 . . . . 10.0 113.321 -178.466 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 6.1 tpt180 63.78 41.55 6.81 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.677 0.751 . . . . 10.0 110.309 -179.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -121.04 122.02 39.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.785 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 93.67 -9.25 73.84 Favored Glycine 0 N--CA 1.45 -0.376 0 CA-C-N 115.796 -0.638 . . . . 10.0 113.139 179.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 3.9 t -57.24 -63.96 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 CA-C-O 121.019 0.438 . . . . 10.0 111.193 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -62.04 -29.23 70.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.976 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -64.44 -54.9 25.4 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.898 -0.592 . . . . 10.0 111.211 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -63.45 -45.56 90.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.922 -0.581 . . . . 10.0 112.043 -179.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -58.39 -44.36 88.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.563 -0.29 . . . . 10.0 111.346 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -65.27 -41.38 94.26 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.525 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 60.3 m -62.84 -40.2 96.72 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.832 -0.622 . . . . 10.0 111.342 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 42.6 tp -60.95 -45.37 95.01 Favored 'General case' 0 C--N 1.334 -0.089 0 CA-C-O 120.865 0.364 . . . . 10.0 110.779 179.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 60.0 t -66.82 -38.17 80.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.945 -0.571 . . . . 10.0 110.434 179.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 46.6 mtm-85 -66.15 -30.97 71.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.094 -0.503 . . . . 10.0 111.079 178.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -65.18 -33.82 76.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.237 0.541 . . . . 10.0 109.926 178.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 19.9 mt -70.27 -40.78 78.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.6 -0.727 . . . . 10.0 109.353 179.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 40.8 mtt85 -70.42 -35.29 73.32 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.417 -0.586 . . . . 10.0 109.417 178.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 28.3 ttmt -61.28 -38.9 88.43 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-N 115.428 -0.805 . . . . 10.0 109.048 178.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 37.5 t-80 -59.18 -46.06 89.39 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.604 -0.725 . . . . 10.0 109.705 178.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -61.57 -49.07 78.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.009 -0.542 . . . . 10.0 110.739 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -65.6 -49.38 68.97 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.606 -0.724 . . . . 10.0 112.201 -178.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? -68.08 -42.16 80.79 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.128 0.788 . . . . 10.0 113.128 -178.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 42.7 ttm -62.08 -31.42 71.85 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 111.916 0.339 . . . . 10.0 111.916 -179.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 49.9 m -62.21 -28.35 69.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.849 0.356 . . . . 10.0 110.85 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -92.33 -37.24 12.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 10.0 109.875 178.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 173' ' ' ASP . . . . . . . . . . . . . 24.0 t70 73.04 -67.91 0.25 Allowed 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.829 0.852 . . . . 10.0 112.361 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . 142.22 -39.05 1.41 Allowed Glycine 0 N--CA 1.448 -0.5 0 N-CA-C 110.827 -0.909 . . . . 10.0 110.827 -179.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 175' ' ' LYS . . . . . . . . . . . . . 35.7 mmtt -129.28 168.02 16.84 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.004 -0.739 . . . . 10.0 109.004 178.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 176' ' ' LYS . . . . . . . . . . . . . 4.6 mmtp 60.04 35.28 21.42 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 123.476 0.485 . . . . 10.0 110.895 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 177' ' ' LYS . . . . . . . . . . . . . 20.6 ttmt -168.47 -88.21 0.01 OUTLIER 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.165 -0.47 . . . . 10.0 111.793 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 18.6 mmtt 48.9 46.24 22.18 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 121.401 0.619 . . . . 10.0 110.312 -179.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 179' ' ' LYS . . . . . . . . . . . . . 24.8 tttt -88.9 111.88 22.62 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.807 -0.633 . . . . 10.0 112.357 -177.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 27.4 tptt -170.33 38.9 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.725 -0.67 . . . . 10.0 109.73 179.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 2.5 m -114.39 154.92 27.25 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.786 -0.643 . . . . 10.0 110.284 -179.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 33.2 mmtt -131.2 135.53 47.48 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.838 0.351 . . . . 10.0 111.463 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.48 156.28 18.08 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.643 -0.503 . . . . 10.0 109.643 179.277 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 184' ' ' LYS . . . . . . . . . . . . . 52.1 tttp . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.961 -179.787 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.233 0.217 0 CA-C-O 120.74 0.305 . . . . 10.0 110.65 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.3 122.5 25.18 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.418 -179.68 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -94.43 140.54 29.69 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.39 -0.596 . . . . 10.0 109.39 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -131.44 114.35 14.82 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.653 0.263 . . . . 10.0 110.921 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 29.2 mttm -78.42 115.09 17.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.895 179.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 11.2 mt -116.05 121.04 41.01 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.077 -0.511 . . . . 10.0 111.349 -178.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 87.6 t -107.02 119.88 57.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.139 -0.482 . . . . 10.0 109.844 179.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 39.9 t -88.82 111.53 22.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 109.677 -0.49 . . . . 10.0 109.677 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 4.3 m -112.29 147.18 16.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.42 -0.355 . . . . 10.0 110.649 -179.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.97 169.63 25.58 Favored Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 111.231 -0.748 . . . . 10.0 111.231 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.01 -175.25 1.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.996 0.427 . . . . 10.0 111.988 -179.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -85.17 142.75 29.24 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.023 -0.535 . . . . 10.0 111.948 -179.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 67.07 24.71 73.29 Favored Glycine 0 CA--C 1.519 0.285 0 CA-C-N 115.319 -0.855 . . . . 10.0 114.334 178.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 34.6 m -95.15 -12.62 8.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 117.346 0.573 . . . . 10.0 111.672 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 108.71 20.48 8.07 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.742 -0.742 . . . . 10.0 112.661 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 5.8 mtmm -57.54 -48.43 79.33 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.02 0.438 . . . . 10.0 111.324 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 3.2 m -79.91 -38.14 33.15 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.691 -0.686 . . . . 10.0 111.104 -179.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.41 -51.34 68.71 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.361 -0.381 . . . . 10.0 111.287 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 64.5 mt -61.66 -51.88 66.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.849 0.357 . . . . 10.0 111.66 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 19.3 m -58.57 -39.86 81.51 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.098 -0.501 . . . . 10.0 111.966 -179.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 51.1 mt -66.34 -30.88 51.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.886 0.374 . . . . 10.0 111.034 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -66.29 -28.38 68.65 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.901 0.381 . . . . 10.0 111.068 179.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 53.4 tp -84.03 -38.86 20.35 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.018 0.437 . . . . 10.0 110.868 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 40.8 mm -83.68 -69.69 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.092 -0.503 . . . . 10.0 111.846 -179.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -75.23 -22.77 57.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.448 . . . . 10.0 111.458 -178.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 71.46 31.06 2.37 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 113.717 1.006 . . . . 10.0 113.717 178.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 3.8 p80 -146.56 158.37 43.89 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 110.003 -0.369 . . . . 10.0 110.003 178.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -94.91 130.52 41.49 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.718 0.294 . . . . 10.0 110.469 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 1.2 m -98.9 110.6 26.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.885 -0.598 . . . . 10.0 110.036 179.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -79.37 -15.98 57.01 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.356 0.598 . . . . 10.0 110.419 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -80.21 127.16 32.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.813 -0.63 . . . . 10.0 110.065 179.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -78.9 112.28 15.92 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.233 -0.439 . . . . 10.0 111.015 -179.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -117.78 109.08 41.87 Favored Pre-proline 0 C--O 1.239 0.511 0 CA-C-N 116.378 -0.373 . . . . 10.0 110.448 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_exo -72.82 94.17 0.79 Allowed 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 122.521 2.148 . . . . 10.0 111.293 179.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 35' ' ' THR . . . . . 0.417 ' OG1' ' O3G' ' C' ' 201' ' ' GSP . 0.0 OUTLIER -87.53 141.89 28.28 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.012 179.307 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 37.5 mm -95.41 -45.67 13.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.215 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -159.69 103.2 1.54 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.23 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -117.74 137.92 52.38 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 120.736 -0.386 . . . . 10.0 111.113 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 3.7 m -101.84 136.37 41.79 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.449 -0.342 . . . . 10.0 111.534 -178.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -131.66 129.25 40.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.494 . . . . 10.0 110.183 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -130.15 127.4 39.67 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 110.175 -0.305 . . . . 10.0 110.175 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 50.6 tttp -148.15 132.14 17.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.369 -0.378 . . . . 10.0 110.861 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -102.76 110.61 22.6 Favored 'General case' 0 C--N 1.323 -0.543 0 N-CA-C 110.291 -0.263 . . . . 10.0 110.291 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 6.7 m -130.09 174.45 12.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 120.798 0.333 . . . . 10.0 111.33 -179.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 17.4 t -99.47 107.12 20.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.069 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 59.9 mt -113.83 120.48 63.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.097 -0.501 . . . . 10.0 110.171 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 61.92 33.58 17.37 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 123.793 0.683 . . . . 10.0 112.249 179.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.17 31.21 57.78 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.95 -0.643 . . . . 10.0 113.036 179.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -148.7 134.69 19.1 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.09 -0.337 . . . . 10.0 110.09 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 5.9 m -71.87 117.12 13.06 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 110.003 -0.369 . . . . 10.0 110.003 179.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 2.2 m -121.48 143.14 49.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.929 0.395 . . . . 10.0 111.677 -178.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 60.1 tp -101.91 111.41 23.67 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.112 -0.699 . . . . 10.0 109.112 178.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 38.3 mt -80.4 118.76 22.31 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.057 -0.519 . . . . 10.0 112.155 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -107.28 76.74 1.1 Allowed 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 107.476 -1.305 . . . . 10.0 107.476 177.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 2.3 mt -87.99 148.4 4.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.193 -0.912 . . . . 10.0 112.362 -177.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 16.3 tp -138.86 121.88 16.75 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.762 -0.654 . . . . 10.0 110.52 179.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -90.18 114.37 26.32 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.775 -0.824 . . . . 10.0 108.775 179.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 62.1 p -94.96 170.19 9.6 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.077 -0.51 . . . . 10.0 112.137 -177.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -90.75 127.77 36.44 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-O 121.098 0.475 . . . . 10.0 109.925 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -103.42 27.89 17.97 Favored Glycine 0 C--O 1.225 -0.46 0 C-N-CA 120.786 -0.721 . . . . 10.0 112.655 -179.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -96.58 15.88 20.39 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.549 0.214 . . . . 10.0 111.402 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 60.49 -162.21 0.27 Allowed 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 115.997 -0.547 . . . . 10.0 111.501 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 71.7 -39.64 0.45 Allowed 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 113.156 0.799 . . . . 10.0 113.156 179.087 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -74.4 67.5 1.45 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.012 0.434 . . . . 10.0 112.167 -179.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 1.3 m -72.03 -37.1 69.8 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.506 179.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.32 -42.22 23.42 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.1 -0.5 . . . . 10.0 111.075 -179.175 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 19.2 ttt -61.6 -37.03 82.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.702 -0.681 . . . . 10.0 110.866 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 68' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 -62.33 -39.8 94.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.165 -0.471 . . . . 10.0 110.921 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -63.93 -40.62 96.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.635 -0.712 . . . . 10.0 111.018 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -54.52 -58.04 9.01 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 113.64 0.978 . . . . 10.0 113.64 -178.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 71' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -75.79 -16.78 60.06 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 113.152 0.797 . . . . 10.0 113.152 -178.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 32.2 mtt -68.42 -31.04 70.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.559 0.695 . . . . 10.0 110.417 179.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 41.1 mtm105 -80.3 -9.73 59.74 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.649 -0.705 . . . . 10.0 111.095 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -100.26 -52.2 3.45 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.392 -0.367 . . . . 10.0 111.403 -179.757 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -59.95 140.18 48.11 Favored Glycine 0 N--CA 1.452 -0.29 0 CA-C-N 115.988 -0.551 . . . . 10.0 113.313 -179.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -92.82 -43.27 9.09 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.081 0.467 . . . . 10.0 109.967 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -118.41 135.08 11.32 Favored Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 111.198 -0.761 . . . . 10.0 111.198 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 78' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -109.1 124.59 51.03 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.218 0.532 . . . . 10.0 111.903 -178.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 14.2 tp -96.13 104.26 16.2 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.576 -0.738 . . . . 10.0 109.32 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 3.4 m -83.13 97.3 8.73 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.413 -0.358 . . . . 10.0 110.134 -179.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 45.4 t -99.78 125.08 53.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.261 -0.427 . . . . 10.0 111.708 -178.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 11.4 p90 -133.17 163.88 28.29 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.004 -0.544 . . . . 10.0 109.566 178.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -103.34 130.76 50.71 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.676 -0.491 . . . . 10.0 109.676 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 84' ' ' ILE . . . . . . . . . . . . . 23.6 pt -63.51 -21.57 28.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.844 0.354 . . . . 10.0 111.571 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -96.27 8.13 44.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.642 179.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -132.57 94.89 3.5 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.137 0.494 . . . . 10.0 110.865 -179.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.45 -29.82 69.26 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.733 -0.667 . . . . 10.0 111.367 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -58.89 -48.17 82.36 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.99 179.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 77.8 p -64.23 -27.34 68.99 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-O 120.761 0.315 . . . . 10.0 111.344 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -67.32 -42.79 83.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.025 -0.534 . . . . 10.0 109.717 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -70.64 -35.07 72.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.999 -0.546 . . . . 10.0 109.782 179.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.16 -30.23 68.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.48 -0.782 . . . . 10.0 111.355 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 43.8 mm -57.3 -49.82 78.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-N 116.495 -0.321 . . . . 10.0 111.125 179.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 79.8 t60 -61.69 -42.27 98.71 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.116 0.484 . . . . 10.0 110.098 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 42.3 m170 -64.9 -32.93 74.88 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.715 -0.675 . . . . 10.0 111.207 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 18.5 m-30 -72.49 -49.81 30.43 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.348 179.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 23.4 ttt-85 -56.83 -41.46 77.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.512 -179.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -61.41 -34.35 75.22 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.295 -0.411 . . . . 10.0 111.429 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -78.94 -39.65 34.06 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-O 120.897 0.379 . . . . 10.0 110.001 178.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 92.6 mt -57.13 -46.48 84.57 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.764 179.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 35.1 mtmt -66.43 -27.72 68.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.087 -0.506 . . . . 10.0 111.157 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 15.3 ttm180 -79.28 -47.21 16.3 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.965 -0.561 . . . . 10.0 111.12 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 86.2 t -62.77 -41.01 90.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 10.0 111.211 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 7.8 mttp -88.08 -8.73 55.08 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.355 -0.384 . . . . 10.0 111.061 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 11.0 t70 54.56 56.96 6.19 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.699 -0.682 . . . . 10.0 112.01 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 35.3 t -165.28 142.06 5.68 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.715 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -80.03 -24.23 40.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.381 0.61 . . . . 10.0 109.604 179.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -102.43 110.2 22.07 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.735 -0.666 . . . . 10.0 111.505 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 57.7 t -141.61 129.4 11.86 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 115.275 -0.875 . . . . 10.0 108.926 179.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -60.43 114.21 2.02 Favored 'Trans proline' 0 C--O 1.236 0.381 0 C-N-CA 122.576 2.184 . . . . 10.0 112.182 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 111' ' ' MET . . . . . . . . . . . . . 29.7 mtm -141.78 151.19 42.62 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.844 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 42.1 t -134.22 129.31 53.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.178 179.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.36 124.95 32.55 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.416 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 70.1 t -122.89 117.87 53.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.09 0.471 . . . . 10.0 111.422 -179.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -101.03 99.06 1.91 Allowed Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 109.999 -1.24 . . . . 10.0 109.999 178.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -83.16 165.86 19.13 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.846 0.313 . . . . 10.0 111.846 -178.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 82.6 mttt 64.09 30.29 13.91 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 123.166 0.587 . . . . 10.0 111.658 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 118' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -69.55 1.67 3.86 Favored 'General case' 0 N--CA 1.463 0.193 0 N-CA-C 112.917 0.71 . . . . 10.0 112.917 -179.338 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -105.19 -0.94 26.0 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.905 0.383 . . . . 10.0 110.629 179.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 40.9 mt -87.77 134.87 34.64 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.222 -0.444 . . . . 10.0 110.505 179.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -68.81 156.24 66.06 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.882 2.388 . . . . 10.0 112.286 -179.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 19.8 m 61.71 72.9 0.49 Allowed 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 113.018 0.747 . . . . 10.0 113.018 179.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 -87.63 129.38 35.14 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.644 179.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -72.89 -45.44 58.22 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 120.751 0.31 . . . . 10.0 111.193 -179.742 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 98.7 t -85.26 118.48 32.24 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.425 0 N-CA-C 109.436 -0.579 . . . . 10.0 109.436 178.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -67.65 148.0 51.94 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.908 -0.587 . . . . 10.0 109.654 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.16 -45.93 89.7 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.469 -0.332 . . . . 10.0 110.716 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 14.2 ptpt -60.18 -48.39 81.92 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 113.095 0.776 . . . . 10.0 113.095 -179.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -67.94 -30.18 69.42 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.228 0.455 . . . . 10.0 112.228 -178.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.26 -41.79 66.34 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.709 -0.478 . . . . 10.0 109.709 179.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -67.71 -38.27 83.39 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.723 -0.671 . . . . 10.0 110.791 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -62.8 -37.47 86.86 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.836 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 7.0 tp -62.34 -42.98 99.83 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.749 -0.463 . . . . 10.0 109.749 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -68.47 -34.59 76.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.7 -0.682 . . . . 10.0 109.832 178.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? -61.28 -42.59 98.9 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.666 -0.697 . . . . 10.0 110.251 179.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 65.4 m -62.6 -33.68 75.48 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.123 -0.49 . . . . 10.0 110.828 179.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 21.8 m-30 -75.38 -32.14 60.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.834 -0.621 . . . . 10.0 109.845 179.085 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 94.77 26.31 13.31 Favored Glycine 0 N--CA 1.447 -0.571 0 N-CA-C 111.499 -0.64 . . . . 10.0 111.499 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 29.2 pt -124.65 167.14 16.68 Favored Pre-proline 0 C--O 1.238 0.476 0 N-CA-C 110.49 -0.189 . . . . 10.0 110.49 -179.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -84.12 166.26 12.82 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.706 2.271 . . . . 10.0 112.802 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -148.59 114.94 5.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.536 -0.756 . . . . 10.0 110.295 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 71.9 mt -117.95 135.84 57.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.018 0.437 . . . . 10.0 110.573 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -69.27 140.14 54.42 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.459 -0.571 . . . . 10.0 109.459 179.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -139.52 158.94 43.28 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.846 0.684 . . . . 10.0 112.846 -178.767 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 2.1 t -155.05 128.89 8.68 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.505 -0.77 . . . . 10.0 109.521 179.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -78.43 -14.25 59.47 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.228 0.537 . . . . 10.0 110.364 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -80.2 -48.34 13.26 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.68 -0.691 . . . . 10.0 111.019 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 38.8 p -90.87 -25.45 19.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.35 -0.386 . . . . 10.0 111.297 -179.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 9.6 ttt85 67.16 18.08 10.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.657 -0.701 . . . . 10.0 111.69 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -77.86 123.98 27.42 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.919 -0.582 . . . . 10.0 111.064 -179.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 74.5 -0.84 54.07 Favored Glycine 0 CA--C 1.517 0.187 0 CA-C-N 115.894 -0.594 . . . . 10.0 113.476 179.183 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 99.5 t -66.89 -45.55 87.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 120.55 0.214 . . . . 10.0 111.323 -179.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -57.76 -51.01 71.32 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.893 -0.594 . . . . 10.0 111.489 -179.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -69.69 -35.37 75.03 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.418 0.525 . . . . 10.0 112.418 -179.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -55.91 -42.39 75.96 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.669 0.271 . . . . 10.0 110.879 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -67.3 -40.57 86.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.683 179.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 16.6 m-30 -68.71 -30.37 69.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.721 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 88.5 m -60.97 -33.2 72.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.994 -0.548 . . . . 10.0 111.479 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 39.0 tp -63.57 -45.46 90.35 Favored 'General case' 0 C--O 1.23 0.078 0 CA-C-O 120.965 0.412 . . . . 10.0 110.072 179.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 79.4 t -64.86 -38.76 83.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.662 -0.699 . . . . 10.0 109.442 179.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 -61.67 -40.25 94.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.266 -0.879 . . . . 10.0 110.912 179.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -65.19 -36.6 84.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.427 -0.351 . . . . 10.0 110.99 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 72.3 mt -64.57 -39.69 86.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.055 -0.72 . . . . 10.0 109.055 178.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 69.7 mtt180 -65.41 -41.52 93.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.552 -0.749 . . . . 10.0 109.805 178.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 46.7 mtpt -63.59 -37.8 88.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.639 -0.71 . . . . 10.0 110.514 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 -61.82 -45.99 91.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.098 0.475 . . . . 10.0 110.547 179.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -63.14 -39.39 94.53 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.217 0.532 . . . . 10.0 110.392 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 26.9 tp10 -67.1 -44.43 80.01 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.625 -0.716 . . . . 10.0 109.976 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -63.86 -41.07 97.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.833 -0.621 . . . . 10.0 111.255 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 12.2 mmt -66.54 -32.64 74.12 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.249 -0.432 . . . . 10.0 111.483 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 61.9 m -66.65 -26.03 66.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.007 0.432 . . . . 10.0 111.508 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 19.7 pttp -104.19 6.15 35.4 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.948 179.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 173' ' ' ASP . . . . . . . . . . . . . 20.5 t70 70.61 -55.76 0.62 Allowed 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 115.643 -0.708 . . . . 10.0 111.944 -179.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . -163.46 -121.2 0.55 Allowed Glycine 0 N--CA 1.439 -1.104 0 N-CA-C 111.163 -0.775 . . . . 10.0 111.163 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 175' ' ' LYS . . . . . . . . . . . . . 15.5 mttt -114.84 92.38 3.92 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.964 0.411 . . . . 10.0 110.457 179.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 176' ' ' LYS . . . . . . . . . . . . . 29.5 tttm -159.09 46.54 0.29 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.548 -0.751 . . . . 10.0 110.359 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 177' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -139.81 85.24 2.02 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.012 -0.54 . . . . 10.0 111.17 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 178' ' ' LYS . . . . . . . . . . . . . 25.6 ttpt -100.56 89.09 3.8 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 121.394 0.616 . . . . 10.0 109.704 179.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 179' ' ' LYS . . . . . . . . . . . . . 55.4 tttm -151.13 149.72 29.82 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.483 -0.781 . . . . 10.0 110.422 -179.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 180' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -96.29 146.9 24.33 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 116.191 -0.458 . . . . 10.0 110.744 179.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -102.54 -70.53 0.75 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.6 -0.727 . . . . 10.0 109.591 179.1 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 182' ' ' LYS . . . . . . . . . . . . . 32.6 pttt -121.19 151.43 39.96 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.867 -0.606 . . . . 10.0 109.418 179.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 3.1 m -86.73 -37.94 17.42 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.96 0.409 . . . . 10.0 111.053 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 184' ' ' LYS . . . . . . . . . . . . . 46.4 tttm . . . . . 0 C--N 1.326 -0.451 0 CA-C-O 121.165 0.507 . . . . 10.0 111.649 -179.778 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 401' ' ' PCW . . . . . 0.632 ' C6 ' ' O31' ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 402' ' ' PCW . . . . . 0.607 ' C35' ' C31' ' A' ' 402' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 403' ' ' PCW . . . . . 0.621 ' O2 ' ' O11' ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 404' ' ' PCW . . . . . 0.703 ' O31' ' O3 ' ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 405' ' ' PCW . . . . . 0.563 ' C7 ' ' O11' ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 406' ' ' PCW . . . . . 0.584 ' O3P' ' O31' ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 407' ' ' PCW . . . . . 0.681 ' C21' ' C17' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 408' ' ' PCW . . . . . 0.596 ' C24' ' C22' ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 409' ' ' PCW . . . . . 0.763 ' C14' ' C19' ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 410' ' ' PCW . . . . . 0.469 ' O11' ' C2 ' ' A' ' 410' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 411' ' ' PCW . . . . . 0.596 ' C22' ' C24' ' A' ' 408' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 412' ' ' PCW . . . . . 0.653 ' O1P' ' P ' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 413' ' ' PCW . . . . . 0.512 ' C16' ' C35' ' A' ' 408' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 414' ' ' PCW . . . . . 0.644 ' C47' ' C43' ' A' ' 414' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 415' ' ' 17F . . . . . 0.425 ' C4 ' ' O10' ' A' ' 415' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 416' ' ' 17F . . . . . 0.489 ' O10' ' O6 ' ' A' ' 416' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 417' ' ' PCW . . . . . 0.432 ' C31' ' O3 ' ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 418' ' ' PCW . . . . . 0.627 ' C35' ' C13' ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 419' ' ' PCW . . . . . 0.598 ' O3 ' ' O31' ' A' ' 419' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 420' ' ' PCW . . . . . 0.547 ' O2 ' ' C41' ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 421' ' ' PCW . . . . . 0.515 ' O1P' ' C8 ' ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 422' ' ' 17F . . . . . 0.544 ' O10' ' O7 ' ' A' ' 422' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 601' ' ' PCW . . . . . 0.581 ' C42' ' C46' ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 602' ' ' PCW . . . . . 0.601 ' C21' ' C17' ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 603' ' ' PCW . . . . . 0.501 ' C41' ' C37' ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 604' ' ' PCW . . . . . 0.583 ' C3 ' ' P ' ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 605' ' ' PCW . . . . . 0.716 ' O31' ' P ' ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 606' ' ' PCW . . . . . 0.619 ' C14' ' C18' ' D' ' 606' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 607' ' ' PCW . . . . . 0.534 ' C11' ' O31' ' D' ' 607' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 608' ' ' PCW . . . . . 0.52 ' C20' ' C26' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 609' ' ' PCW . . . . . 0.481 ' O3 ' ' O31' ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 610' ' ' PCW . . . . . 0.594 ' C20' ' C24' ' D' ' 610' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 611' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 612' ' ' PCW . . . . . 0.464 ' C22' ' C48' ' D' ' 620' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 613' ' ' PCW . . . . . 0.684 ' C21' ' C17' ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 614' ' ' PCW . . . . . 0.52 ' C5 ' ' O31' ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 615' ' ' PCW . . . . . 0.654 ' C46' ' C42' ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 616' ' ' PCW . . . . . 0.503 ' C31' ' O3 ' ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 617' ' ' PCW . . . . . 0.568 ' P ' ' O2 ' ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 618' ' ' PCW . . . . . 0.638 ' C23' ' C27' ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 619' ' ' PCW . . . . . 0.506 ' C14' ' C39' ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 620' ' ' PCW . . . . . 0.464 ' C48' ' C22' ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 621' ' ' PCW . . . . . 0.559 ' O1P' ' C5 ' ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 622' ' ' PCW . . . . . 0.581 ' C14' ' C18' ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 623' ' ' PCW . . . . . 0.674 ' C32' ' C36' ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 624' ' ' PCW . . . . . 0.655 ' C24' ' C20' ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 625' ' ' PCW . . . . . 0.57 ' C15' ' C19' ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 626' ' ' PCW . . . . . 0.681 ' C23' ' C27' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 627' ' ' PCW . . . . . 0.587 ' C20' ' C35' ' C' ' 217' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 628' ' ' 17F . . . . . 0.634 ' C31' ' C19' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 629' ' ' 17F . . . . . 0.627 ' O7 ' ' C17' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 630' ' ' 17F . . . . . 0.536 ' O10' ' P1 ' ' D' ' 630' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 631' ' ' 17F . . . . . 0.644 ' O10' ' O7 ' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 632' ' ' 17F . . . . . 0.577 ' C6 ' ' O10' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 201' ' ' GSP . . . . . 0.624 ' O3G' 'MG ' ' B' ' 202' ' ' ' MG' . . . . . . . . 0 O4'--C1' 1.438 1.974 2 O4'-C1'-N19 112.647 4.447 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 202' ' ' ' MG' . . . . . 0.624 'MG ' ' O3G' ' B' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 203' ' ' PCW . . . . . 0.466 ' C11' ' O31' ' B' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 204' ' ' PCW . . . . . 0.65 ' C23' ' C27' ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 205' ' ' PCW . . . . . 0.636 ' C21' ' C25' ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 206' ' ' PCW . . . . . 0.573 ' C6 ' ' O4P' ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 207' ' ' PCW . . . . . 0.632 ' O31' ' C6 ' ' A' ' 401' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 208' ' ' PCW . . . . . 0.656 ' C43' ' C47' ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 209' ' ' 17F . . . . . 0.657 ' C31' ' C19' ' B' ' 209' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 210' ' ' 17F . . . . . 0.589 ' O10' ' C19' ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 211' ' ' 17F . . . . . 0.573 ' C6 ' ' C12' ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 201' ' ' GSP . . . . . 0.639 ' O3G' 'MG ' ' C' ' 202' ' ' ' MG' . . . . . . . . 0 O4'--C1' 1.438 1.959 2 O4'-C1'-N19 112.941 4.741 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 202' ' ' ' MG' . . . . . 0.639 'MG ' ' O3G' ' C' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 203' ' ' PCW . . . . . 0.621 ' C21' ' C25' ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 204' ' ' PCW . . . . . 0.666 ' C42' ' C46' ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 205' ' ' PCW . . . . . 0.604 ' O3 ' ' O31' ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 206' ' ' PCW . . . . . 0.611 ' C18' ' C17' ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 207' ' ' PCW . . . . . 0.562 ' O31' ' C1 ' ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 208' ' ' PCW . . . . . 0.611 ' C17' ' C18' ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 209' ' ' PCW . . . . . 0.669 ' C22' ' C26' ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 210' ' ' PCW . . . . . 0.652 ' C26' ' C22' ' C' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 211' ' ' PCW . . . . . 0.453 ' C22' ' C18' ' C' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 212' ' ' PCW . . . . . 0.589 ' C20' ' C24' ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 213' ' ' 17F . . . . . 0.583 ' O1 ' ' C7 ' ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 214' ' ' 17F . . . . . 0.509 ' O8 ' ' C5 ' ' C' ' 214' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 215' ' ' 17F . . . . . 0.633 ' N1 ' ' O2 ' ' C' ' 215' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 216' ' ' PCW . . . . . 0.581 ' C1 ' ' O31' ' C' ' 216' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 217' ' ' PCW . . . . . 0.587 ' C35' ' C20' ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 218' ' ' 17F . . . . . 0.739 ' O7 ' ' C18' ' C' ' 218' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 219' ' ' 17F . . . . . 0.47 ' C1Y' ' C14' ' C' ' 217' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 95.2 mt . . . . . 0 N--CA 1.458 -0.038 0 CA-C-O 120.656 0.265 . . . . 10.0 110.847 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 5.5 tmtm? -61.22 -49.51 76.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.056 -0.52 . . . . 10.0 111.297 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 74.1 mt -68.36 -19.86 64.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.032 -0.531 . . . . 10.0 111.475 -179.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 6.3 mp -86.83 -43.19 12.66 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.169 0.509 . . . . 10.0 109.94 179.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -61.22 -43.96 98.04 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.508 -0.769 . . . . 10.0 110.473 179.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -74.23 -22.41 59.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.848 -0.614 . . . . 10.0 111.985 -179.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 79.6 t90 -69.58 -38.2 77.25 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.375 -0.602 . . . . 10.0 109.375 179.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -60.62 -30.99 70.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.537 -0.756 . . . . 10.0 110.688 179.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 1.1 m -67.43 -24.0 65.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.214 179.127 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 24.3 t -82.06 -43.85 19.64 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 CA-C-N 116.007 -0.542 . . . . 10.0 109.704 179.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -61.6 -40.28 94.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.966 179.618 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 1.6 p -64.8 -39.83 94.23 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.667 -0.494 . . . . 10.0 109.667 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 99.5 m -65.92 -45.38 82.13 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.615 -0.72 . . . . 10.0 109.62 178.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -59.31 -38.69 80.88 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.485 179.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 57.7 m -61.94 -52.16 65.18 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.349 179.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 35.2 mmtt -60.06 -40.04 88.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.201 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 94.3 mt -63.49 -50.12 70.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.779 -0.646 . . . . 10.0 110.684 179.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 37.8 mtt180 -60.39 -35.61 76.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 10.0 111.484 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -67.17 -46.85 72.74 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.115 178.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -67.35 -34.46 77.37 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.479 179.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 28.0 mt -58.29 -27.67 64.28 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.832 -0.622 . . . . 10.0 111.973 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -59.0 -71.6 0.74 Allowed Glycine 0 N--CA 1.449 -0.449 0 N-CA-C 110.261 -1.136 . . . . 10.0 110.261 178.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -55.35 -32.34 81.03 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.429 2.086 . . . . 10.0 111.469 178.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 14.1 t -61.65 -53.02 53.95 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.207 0 N-CA-C 109.841 -0.429 . . . . 10.0 109.841 178.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 22.7 m -64.47 -36.36 83.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.39 -0.368 . . . . 10.0 110.352 179.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -62.58 -50.59 70.7 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.215 -0.448 . . . . 10.0 111.243 179.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -71.53 -33.4 69.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.964 0.412 . . . . 10.0 110.287 179.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -62.76 -47.86 81.71 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.45 -0.574 . . . . 10.0 109.45 178.532 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -64.41 -37.14 86.47 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.879 -0.601 . . . . 10.0 109.839 178.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -60.72 -50.99 71.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.8 -0.636 . . . . 10.0 110.503 179.143 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -66.42 -35.1 79.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.189 -0.46 . . . . 10.0 110.398 179.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 32.5 mt -64.34 -38.12 89.92 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.145 -0.687 . . . . 10.0 109.145 178.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -66.74 -33.66 76.12 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 116.136 -0.484 . . . . 10.0 111.213 179.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 59.4 mttt -67.92 -33.73 75.25 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.533 -0.914 . . . . 10.0 108.533 178.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.2 -49.72 22.29 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.113 -0.949 . . . . 10.0 109.85 179.051 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 8.0 p -62.19 -38.44 89.12 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.26 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -62.79 -41.21 99.16 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 108.611 -0.885 . . . . 10.0 108.611 178.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -63.63 -43.83 97.36 Favored Glycine 0 N--CA 1.445 -0.738 0 N-CA-C 109.53 -1.428 . . . . 10.0 109.53 177.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 84.6 mt -64.46 -29.82 70.86 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.891 0.377 . . . . 10.0 110.332 178.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 55.4 mtt180 -73.62 -41.15 63.19 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.576 -0.528 . . . . 10.0 109.576 178.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -68.96 -36.78 78.29 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.539 -0.911 . . . . 10.0 108.539 178.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -69.55 -27.36 65.08 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.051 -0.977 . . . . 10.0 110.092 178.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 56.7 ttm -63.04 -31.59 72.76 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.286 -0.635 . . . . 10.0 109.286 179.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 2.0 m -81.42 10.48 5.66 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 115.537 -0.756 . . . . 10.0 110.517 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 37.2 mmtm -130.3 -61.58 0.97 Allowed 'General case' 0 C--O 1.224 -0.273 0 CA-C-N 115.546 -0.752 . . . . 10.0 109.127 178.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 246' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.17 -64.07 0.96 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.7 -0.682 . . . . 10.0 111.124 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . 69.8 mt -72.67 -36.15 67.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.802 -0.635 . . . . 10.0 112.3 -178.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -63.06 -52.74 61.57 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 120.964 -0.294 . . . . 10.0 111.091 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -70.72 -34.36 71.82 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 121.109 -0.236 . . . . 10.0 110.86 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 250' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.18 -34.63 67.97 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.295 0 C-N-CA 120.871 -0.332 . . . . 10.0 110.771 179.679 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -83.41 -28.06 29.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.559 -0.291 . . . . 10.0 110.908 179.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -77.46 -37.99 50.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.022 0.439 . . . . 10.0 110.437 179.204 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -88.03 -17.4 31.24 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.793 -0.64 . . . . 10.0 111.653 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 254' ' ' VAL . . . . . . . . . . . . . 1.4 p -63.65 -24.28 35.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.898 0.38 . . . . 10.0 109.986 179.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -62.83 -64.21 3.29 Favored Pre-proline 0 N--CA 1.45 -0.456 0 CA-C-N 115.723 -0.671 . . . . 10.0 110.709 179.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -65.55 -28.05 53.48 Favored 'Trans proline' 0 C--N 1.358 1.059 0 C-N-CA 121.894 1.729 . . . . 10.0 111.642 178.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -65.09 -54.29 32.27 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 109.4 -0.593 . . . . 10.0 109.4 179.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 65.0 mt -69.04 -36.57 77.86 Favored 'General case' 0 C--O 1.218 -0.556 0 CA-C-N 115.856 -0.611 . . . . 10.0 110.157 179.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -56.03 -43.65 77.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.927 0.394 . . . . 10.0 111.316 179.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -68.39 -50.57 52.03 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.119 -0.491 . . . . 10.0 111.048 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -67.02 -40.47 87.27 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.675 0.62 . . . . 10.0 112.675 -179.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -63.95 -41.69 97.53 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.861 -0.422 . . . . 10.0 109.861 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -64.31 -50.05 69.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.646 -0.706 . . . . 10.0 109.438 178.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 264' ' ' LYS . . . . . . . . . . . . . 60.0 mttt -61.07 -43.63 98.59 Favored 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 115.593 -0.731 . . . . 10.0 110.961 179.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 6.8 m95 -59.38 -40.94 88.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.888 0.375 . . . . 10.0 110.204 178.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -65.5 -44.08 88.14 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 109.406 -0.59 . . . . 10.0 109.406 178.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -63.59 -40.56 97.24 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.612 -0.514 . . . . 10.0 109.612 178.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -61.5 -44.62 96.74 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.007 -0.542 . . . . 10.0 109.71 178.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 87.8 mmm -68.06 -37.9 81.83 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.523 -0.762 . . . . 10.0 110.628 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 -61.19 -45.77 93.22 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 109.567 -0.531 . . . . 10.0 109.567 178.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 96.6 mt -66.67 -38.84 87.64 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.617 -0.72 . . . . 10.0 110.029 179.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.7 -39.87 88.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.972 0.415 . . . . 10.0 110.905 179.16 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 46.9 mtt180 -73.3 -24.27 60.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 10.0 110.656 179.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -80.19 -44.31 20.03 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.245 -0.65 . . . . 10.0 109.245 178.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 275' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -65.83 -37.08 85.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.553 -0.748 . . . . 10.0 110.943 179.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 1.2 p -59.48 -24.29 27.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 112.359 0.503 . . . . 10.0 112.359 -179.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -62.22 -64.95 2.47 Favored Pre-proline 0 CA--C 1.536 0.407 0 C-N-CA 121.078 -0.249 . . . . 10.0 110.915 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_endo -65.91 -33.27 43.18 Favored 'Trans proline' 0 C--N 1.355 0.89 0 C-N-CA 121.572 1.514 . . . . 10.0 111.085 178.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 10.7 mt -62.93 -44.43 96.1 Favored 'General case' 0 CA--C 1.523 -0.085 0 CA-C-N 116.556 -0.293 . . . . 10.0 110.896 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 -67.3 -37.45 83.38 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 109.544 -0.539 . . . . 10.0 109.544 179.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -61.98 -49.32 76.57 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.436 -0.579 . . . . 10.0 109.436 178.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -62.92 -45.35 92.92 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 116.15 -0.477 . . . . 10.0 110.23 178.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 10.3 mt -61.56 -32.81 72.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.544 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -73.61 -53.25 10.92 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.313 179.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -59.7 -46.51 88.85 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.133 0.492 . . . . 10.0 110.096 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -62.05 -43.48 99.09 Favored Glycine 0 N--CA 1.444 -0.773 0 CA-C-N 115.418 -0.81 . . . . 10.0 111.642 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -64.17 -42.2 96.81 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 110.109 -0.33 . . . . 10.0 110.109 178.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 81.7 mtt180 -57.43 -49.44 76.23 Favored 'General case' 0 C--N 1.333 -0.129 0 N-CA-C 109.853 -0.425 . . . . 10.0 109.853 179.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -61.58 -49.25 77.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.651 -0.704 . . . . 10.0 110.676 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 55.6 mttp -64.56 -34.03 77.29 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.181 -0.463 . . . . 10.0 111.241 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 20.7 mt -71.9 -40.19 69.04 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 109.263 -0.644 . . . . 10.0 109.263 178.255 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -36.4 83.83 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.291 -0.633 . . . . 10.0 109.291 178.375 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.41 -38.94 85.59 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.738 -0.838 . . . . 10.0 108.738 178.014 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 7.9 mt -72.59 -45.55 58.58 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-N 115.681 -0.691 . . . . 10.0 110.557 179.097 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -61.07 -35.98 78.41 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.133 0.42 . . . . 10.0 112.133 -179.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -73.22 -1.21 16.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.948 0.404 . . . . 10.0 110.89 179.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp -121.79 -41.94 2.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.974 179.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 37.8 mt -61.06 -24.33 66.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.436 -0.347 . . . . 10.0 111.785 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 299' ' ' SER . . . . . . . . . . . . . 4.2 m -83.48 -63.78 0.25 Allowed Pre-proline 0 CA--C 1.538 0.509 0 N-CA-C 112.078 0.399 . . . . 10.0 112.078 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 300' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -64.41 -46.87 6.68 Favored 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 121.732 1.621 . . . . 10.0 112.139 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 90.8 mt -71.96 -29.07 63.87 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 110.024 -0.361 . . . . 10.0 110.024 179.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -68.08 -47.24 60.63 Favored Glycine 0 N--CA 1.449 -0.458 0 N-CA-C 110.696 -0.962 . . . . 10.0 110.696 179.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -63.38 -41.98 98.82 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.98 -0.378 . . . . 10.0 109.98 178.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.02 -37.17 85.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.073 -0.512 . . . . 10.0 109.656 179.081 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 11.7 tpt -62.02 -35.75 79.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.878 -0.601 . . . . 10.0 109.521 179.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 48.4 mtt180 -78.22 -37.26 45.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.888 -0.597 . . . . 10.0 109.941 178.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -63.61 -45.75 88.9 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.599 -0.519 . . . . 10.0 109.599 178.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 -66.87 -32.58 73.94 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 108.985 -0.746 . . . . 10.0 108.985 178.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -64.82 -36.6 84.87 Favored 'General case' 0 CA--C 1.522 -0.126 0 N-CA-C 109.068 -0.715 . . . . 10.0 109.068 177.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 310' ' ' ARG . . . . . . . . . . . . . 81.5 mtt180 -59.92 -47.81 84.25 Favored 'General case' 0 C--O 1.22 -0.461 0 N-CA-C 108.878 -0.786 . . . . 10.0 108.878 178.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -66.92 -34.0 76.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.758 -0.655 . . . . 10.0 110.098 179.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -61.52 -50.75 71.45 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.422 -0.584 . . . . 10.0 109.422 178.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 43.8 t -73.11 -30.21 30.88 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 CA-C-N 115.518 -0.765 . . . . 10.0 110.145 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -61.51 -47.94 83.32 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.824 -0.436 . . . . 10.0 109.824 179.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -64.86 -38.57 91.43 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.132 -0.692 . . . . 10.0 109.132 178.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 28.7 mt -63.12 -51.87 64.82 Favored 'General case' 0 C--O 1.219 -0.507 0 CA-C-N 115.604 -0.725 . . . . 10.0 110.618 178.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 42.1 mtm105 -59.04 -41.95 89.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.959 0.409 . . . . 10.0 110.971 179.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 56.0 m -64.88 -20.43 66.43 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.771 -0.65 . . . . 10.0 110.96 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 11.7 m80 -100.3 -33.85 10.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.34 -0.391 . . . . 10.0 111.279 179.143 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 72.4 mt -66.71 -39.8 88.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.551 -0.295 . . . . 10.0 111.234 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -54.85 -56.78 23.88 Favored Pre-proline 0 CA--C 1.535 0.373 0 O-C-N 123.239 0.337 . . . . 10.0 111.793 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -66.41 -37.75 22.32 Favored 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 121.514 1.476 . . . . 10.0 111.862 178.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 10.3 m-30 -58.6 -52.5 65.41 Favored 'General case' 0 C--O 1.226 -0.168 0 CA-C-N 116.559 -0.292 . . . . 10.0 111.116 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 11.6 p -65.34 -40.37 93.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.515 -0.311 . . . . 10.0 110.932 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -61.25 -42.0 97.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.063 0.459 . . . . 10.0 110.579 179.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -77.45 -25.39 50.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.969 -0.56 . . . . 10.0 110.177 178.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 9.4 mt -69.69 -34.16 73.55 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 109.569 -0.53 . . . . 10.0 109.569 178.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 69.7 mtt180 -61.05 -40.77 94.89 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 108.863 -0.791 . . . . 10.0 108.863 178.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -63.63 -40.43 96.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.456 -0.793 . . . . 10.0 109.11 178.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 44.0 mtt180 -62.01 -51.73 66.82 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 109.04 -0.726 . . . . 10.0 109.04 178.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 94.8 mt -56.15 -46.16 79.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.552 -0.749 . . . . 10.0 110.213 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -59.51 -48.83 80.14 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.375 179.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -60.2 -47.93 83.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.505 . . . . 10.0 110.629 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -60.86 -46.78 89.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.636 -0.711 . . . . 10.0 110.099 179.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 52.1 mt -61.21 -46.03 92.12 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 115.982 -0.554 . . . . 10.0 111.501 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -65.19 -45.59 84.2 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 123.237 0.336 . . . . 10.0 111.097 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -64.78 -51.02 64.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.489 -0.323 . . . . 10.0 110.569 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 90.8 mt -68.62 -15.36 63.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 10.0 112.055 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 70.4 tttt -85.47 -47.91 9.48 Favored 'General case' 0 CA--C 1.519 -0.224 0 N-CA-C 109.224 -0.658 . . . . 10.0 109.224 178.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -63.34 -49.74 72.71 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 109.199 -0.667 . . . . 10.0 109.199 178.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -66.51 -37.07 84.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.596 -0.729 . . . . 10.0 109.281 178.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -61.68 -41.82 99.66 Favored Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 115.614 -0.721 . . . . 10.0 111.339 178.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -66.42 -39.86 94.27 Favored Glycine 0 N--CA 1.448 -0.512 0 N-CA-C 110.462 -1.055 . . . . 10.0 110.462 178.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -61.79 -43.25 99.23 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.942 -0.762 . . . . 10.0 108.942 178.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 32.5 mtm180 -64.9 -41.44 95.59 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 115.582 -0.736 . . . . 10.0 110.007 178.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 57.7 mt -61.3 -46.29 90.92 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.542 -0.299 . . . . 10.0 110.631 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -63.88 -40.66 97.05 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.07 179.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -67.61 -43.62 80.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.082 0.467 . . . . 10.0 110.492 178.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -62.5 -38.31 89.41 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.097 -0.501 . . . . 10.0 110.545 179.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -66.15 -39.66 89.98 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 120.96 0.409 . . . . 10.0 110.073 179.041 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -63.89 -47.83 79.08 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 109.023 -0.732 . . . . 10.0 109.023 178.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 15.7 mttm -61.77 -38.3 87.52 Favored 'General case' 0 N--CA 1.461 0.088 0 CA-C-N 115.582 -0.735 . . . . 10.0 110.012 178.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -62.64 -45.73 91.51 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.886 -0.413 . . . . 10.0 109.886 179.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 27.1 m -61.31 -39.29 89.92 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 109.411 -0.589 . . . . 10.0 109.411 178.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -66.19 -48.22 71.4 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 109.752 -0.462 . . . . 10.0 109.752 178.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -59.55 -37.12 77.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.827 178.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 55.8 mt -68.12 -36.15 79.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.967 0.413 . . . . 10.0 110.047 178.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 50.9 m -64.89 -44.64 88.94 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.01 179.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.43 -26.75 61.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.174 0.511 . . . . 10.0 109.921 178.592 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 51.5 tp -69.7 -31.76 69.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.65 -0.704 . . . . 10.0 109.112 178.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 24.0 m -62.97 -32.77 74.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.648 -0.706 . . . . 10.0 109.42 178.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -68.55 -20.06 64.53 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.59 -0.732 . . . . 10.0 110.095 179.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 363' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -93.74 -47.28 6.85 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.862 -0.608 . . . . 10.0 109.464 178.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -62.78 -32.04 73.13 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 113.267 0.84 . . . . 10.0 113.267 -178.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 61.0 mttt -107.92 -73.32 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.437 0 N-CA-C 113.886 1.069 . . . . 10.0 113.886 -179.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -58.87 -54.8 2.43 Favored 'Trans proline' 0 C--N 1.355 0.885 0 C-N-CA 122.155 1.904 . . . . 10.0 113.571 -179.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 367' ' ' ALA . . . . . . . . . . . . . . . -61.91 -44.03 97.62 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 111.606 0.224 . . . . 10.0 111.606 -179.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.68 -35.0 79.11 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 110.334 -0.247 . . . . 10.0 110.334 179.389 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -62.05 -49.15 77.13 Favored 'General case' 0 CA--C 1.512 -0.509 0 N-CA-C 108.382 -0.97 . . . . 10.0 108.382 178.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -60.17 -38.73 84.1 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.886 -1.052 . . . . 10.0 110.301 179.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 18.4 mt -64.66 -47.56 78.01 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.016 178.402 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 87.4 mtt180 -62.15 -47.04 86.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.165 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -58.44 -33.75 70.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.613 -0.721 . . . . 10.0 111.445 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -85.36 -33.24 17.57 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.738 -0.744 . . . . 10.0 111.977 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 27.2 mt -69.27 -32.3 71.39 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.848 0.314 . . . . 10.0 111.848 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 95.2 mt -52.48 -62.21 3.57 Favored Pre-proline 0 CA--C 1.534 0.36 0 N-CA-C 112.457 0.54 . . . . 10.0 112.457 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -63.86 -30.67 68.08 Favored 'Trans proline' 0 C--N 1.355 0.913 0 C-N-CA 121.728 1.619 . . . . 10.0 111.212 179.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 10.5 t -63.31 -45.85 97.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 N-CA-C 109.558 -0.534 . . . . 10.0 109.558 179.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 96.6 mt -64.25 -34.69 78.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.093 -0.503 . . . . 10.0 109.812 179.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -63.63 -46.25 86.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.314 179.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 1.5 p -68.57 -31.06 69.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.971 0.415 . . . . 10.0 110.176 178.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -64.25 -44.21 92.51 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 108.851 -0.796 . . . . 10.0 108.851 178.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -55.88 -50.7 69.92 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 115.62 -0.718 . . . . 10.0 109.185 178.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 89.9 t -56.86 -44.64 82.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.616 -0.72 . . . . 10.0 110.572 179.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 16.3 m -66.67 -36.56 82.82 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.296 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -71.63 -47.33 55.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.511 -0.313 . . . . 10.0 111.013 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 80.1 mt -60.33 -45.42 93.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.117 -0.492 . . . . 10.0 111.705 -179.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 9.7 p -65.8 -37.49 86.42 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.785 0.326 . . . . 10.0 110.781 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -64.39 -42.22 96.23 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.289 0.566 . . . . 10.0 109.496 179.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 90.6 mt -60.86 -40.08 91.57 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.484 -0.78 . . . . 10.0 109.444 178.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -61.45 -44.82 96.44 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.951 -0.568 . . . . 10.0 109.968 178.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -57.78 -45.87 85.39 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.257 -0.428 . . . . 10.0 110.786 179.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -63.56 -36.65 84.48 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.165 0.507 . . . . 10.0 110.757 179.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 8.6 m -75.4 -23.29 57.04 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.092 0.473 . . . . 10.0 111.522 -179.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -91.19 -39.36 12.16 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 112.489 0.552 . . . . 10.0 112.489 -179.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -91.69 -26.4 18.65 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 113.595 0.961 . . . . 10.0 113.595 -177.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 29.2 mt -108.76 11.05 26.59 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.874 -0.331 . . . . 10.0 111.664 -179.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 18.5 t30 . . . . . 0 C--N 1.321 -0.652 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.096 -179.924 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 CA--C 1.52 -0.181 0 CA-C-O 121.362 0.601 . . . . 10.0 110.453 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.63 30.8 1.46 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.417 -0.811 . . . . 10.0 110.841 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 85.0 mt -62.63 -47.87 81.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.975 -0.557 . . . . 10.0 109.664 179.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 33.8 mt -64.97 -35.17 80.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.883 -0.599 . . . . 10.0 110.388 178.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -64.33 -43.43 94.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.434 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -73.32 -40.12 64.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.06 179.098 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -36.44 78.39 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.424 179.577 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -59.39 -48.04 83.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.238 179.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.89 -42.39 99.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.594 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 98.8 t -62.78 -44.1 99.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.811 -0.632 . . . . 10.0 110.416 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 24.3 m -65.95 -36.39 83.21 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.433 179.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 36.1 m -64.05 -33.13 75.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.049 -0.523 . . . . 10.0 110.945 179.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -69.33 -31.81 70.5 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.839 -0.43 . . . . 10.0 109.839 178.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -67.79 -34.13 76.16 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 109.593 -0.521 . . . . 10.0 109.593 178.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 9.7 m -63.48 -45.25 91.64 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 108.3 -1.0 . . . . 10.0 108.3 178.108 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 23.4 mmtt -65.35 -35.37 80.77 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 115.553 -0.749 . . . . 10.0 110.165 178.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 2.2 mt -64.71 -42.73 95.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.889 -0.596 . . . . 10.0 109.609 178.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 54.7 mtt180 -67.21 -38.22 84.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.811 -0.632 . . . . 10.0 109.972 179.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -62.14 -37.47 85.3 Favored 'General case' 0 C--O 1.223 -0.31 0 N-CA-C 109.181 -0.674 . . . . 10.0 109.181 178.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -70.08 -53.1 18.94 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 109.213 -0.662 . . . . 10.0 109.213 178.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 74.2 mt -45.56 -44.49 12.84 Favored 'General case' 0 C--O 1.225 -0.209 0 CA-C-N 115.145 -0.934 . . . . 10.0 112.619 -179.115 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -48.19 -81.86 0.04 OUTLIER Glycine 0 CA--C 1.522 0.527 0 O-C-N 123.526 0.516 . . . . 10.0 113.822 -179.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -58.57 -41.48 64.1 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.746 2.297 . . . . 10.0 112.618 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 38.0 t -54.74 -48.94 72.19 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.108 0 N-CA-C 112.309 0.485 . . . . 10.0 112.309 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 50.5 p -69.45 -33.91 73.63 Favored 'General case' 0 CA--C 1.519 -0.227 0 C-N-CA 120.776 -0.37 . . . . 10.0 111.172 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -63.73 -50.69 68.14 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 110.026 -0.361 . . . . 10.0 110.026 179.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -72.05 -23.27 61.35 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.037 -0.356 . . . . 10.0 110.037 178.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -68.94 -43.84 74.24 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 108.222 -1.029 . . . . 10.0 108.222 177.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 5.6 m95 -66.67 -37.64 85.19 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.323 -0.991 . . . . 10.0 108.323 178.05 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -63.01 -36.74 84.58 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.339 -0.846 . . . . 10.0 108.976 177.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -72.89 -39.71 66.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.533 -0.758 . . . . 10.0 109.145 178.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 65.3 mt -56.77 -43.49 80.86 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 115.656 -0.702 . . . . 10.0 109.937 179.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -62.32 -39.27 92.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.942 179.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 48.7 mttp -63.76 -41.48 97.99 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.173 -0.677 . . . . 10.0 109.173 178.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -68.97 -50.26 50.65 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 114.998 -1.001 . . . . 10.0 111.314 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 2.7 p -59.5 -47.35 85.85 Favored 'General case' 0 CA--C 1.519 -0.244 0 C-N-CA 121.141 -0.224 . . . . 10.0 110.507 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -62.09 -47.4 84.8 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 121.045 -0.262 . . . . 10.0 110.401 178.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -57.3 -50.34 65.45 Favored Glycine 0 C--N 1.333 0.411 0 N-CA-C 111.105 -0.798 . . . . 10.0 111.105 179.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 96.3 mt -62.3 -37.86 87.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.582 0.229 . . . . 10.0 110.396 178.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 72.1 mtt180 -63.17 -37.51 87.49 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.373 -0.376 . . . . 10.0 110.672 179.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -63.59 -38.48 91.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.166 0.508 . . . . 10.0 109.638 178.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -74.71 -44.64 49.02 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.02 -0.536 . . . . 10.0 109.675 178.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 90.9 mmm -60.3 -38.15 82.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.299 -0.864 . . . . 10.0 112.908 -178.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 2.4 p -60.74 -51.31 69.91 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.93 0.395 . . . . 10.0 110.078 179.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 41.6 tttp -68.08 -39.77 82.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.159 179.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -59.61 -54.09 50.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 10.0 110.805 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 82.5 mt -63.85 -48.9 74.89 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.318 0.488 . . . . 10.0 112.318 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -61.11 -42.91 99.4 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-O 120.673 0.273 . . . . 10.0 110.749 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 447' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -68.39 -39.31 81.74 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.542 -0.54 . . . . 10.0 109.542 178.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 2.1 t -60.57 -37.46 75.29 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.288 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.03 178.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -61.38 -32.65 72.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.181 0.515 . . . . 10.0 110.166 178.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -91.32 -4.07 56.2 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.498 179.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 35.3 mmtm -99.68 -39.56 8.21 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.895 0.378 . . . . 10.0 110.241 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 71.8 t -62.97 -35.75 72.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.151 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -57.97 -62.48 5.4 Favored Pre-proline 0 CA--C 1.534 0.344 0 CA-C-N 116.658 -0.246 . . . . 10.0 111.6 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -65.74 -26.65 52.81 Favored 'Trans proline' 0 C--N 1.36 1.175 0 C-N-CA 121.609 1.539 . . . . 10.0 111.709 179.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -67.39 -50.38 59.87 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.595 -0.52 . . . . 10.0 109.595 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 32.2 mt -65.66 -35.52 81.02 Favored 'General case' 0 C--O 1.217 -0.608 0 CA-C-N 116.065 -0.516 . . . . 10.0 109.682 178.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -65.5 -51.7 58.11 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.101 -0.499 . . . . 10.0 110.27 179.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 458' ' ' ASP . . . . . 0.479 ' CG ' ' HZ2' ' D' ' 462' ' ' LYS . 6.8 t70 -59.38 -43.86 92.83 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.368 -0.833 . . . . 10.0 110.848 179.652 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -72.34 -46.63 54.69 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.804 -0.634 . . . . 10.0 112.163 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -58.83 -39.43 81.22 Favored 'General case' 0 CA--C 1.515 -0.38 0 O-C-N 122.987 0.179 . . . . 10.0 110.881 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 21.6 mttt -62.95 -41.06 99.4 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.932 -0.395 . . . . 10.0 109.932 178.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 462' ' ' LYS . . . . . 0.479 ' HZ2' ' CG ' ' D' ' 458' ' ' ASP . 18.6 mtmm -68.21 -38.04 81.5 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.627 -0.509 . . . . 10.0 109.627 178.527 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 54.8 m0 -65.57 -43.9 88.38 Favored 'General case' 0 CA--C 1.516 -0.335 0 N-CA-C 109.101 -0.703 . . . . 10.0 109.101 178.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -59.19 -48.32 82.06 Favored 'General case' 0 CA--C 1.516 -0.361 0 N-CA-C 109.124 -0.695 . . . . 10.0 109.124 178.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 465' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -54.84 -57.56 11.11 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 115.721 -0.672 . . . . 10.0 110.47 179.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -59.93 -38.25 81.82 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.057 -0.52 . . . . 10.0 111.872 -179.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 42.2 ttm -65.71 -47.37 75.58 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.031 0.443 . . . . 10.0 110.926 179.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 76.9 mt-10 -71.24 -27.73 63.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.409 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 469' ' ' LEU . . . . . . . . . . . . . 69.2 mt -74.2 -29.33 61.69 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 108.832 -0.803 . . . . 10.0 108.832 177.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 2.0 m-30 -64.49 -30.95 71.98 Favored 'General case' 0 N--CA 1.461 0.091 0 N-CA-C 109.292 -0.633 . . . . 10.0 109.292 178.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -75.86 -11.74 60.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.796 -0.638 . . . . 10.0 110.053 179.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -117.71 9.52 13.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.189 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 473' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -135.26 -65.53 0.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.647 -0.706 . . . . 10.0 110.766 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 87.1 t -62.93 -47.21 93.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.451 -0.341 . . . . 10.0 111.089 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -56.44 -58.81 14.6 Favored Pre-proline 0 CA--C 1.537 0.475 0 N-CA-C 112.406 0.521 . . . . 10.0 112.406 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -63.56 -37.81 45.4 Favored 'Trans proline' 0 C--N 1.356 0.927 0 C-N-CA 121.737 1.625 . . . . 10.0 111.771 178.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 7.1 mt -65.01 -35.01 79.8 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 109.706 -0.479 . . . . 10.0 109.706 178.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.39 -39.52 85.62 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.016 -0.735 . . . . 10.0 109.016 178.519 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -63.05 -42.01 99.63 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.128 -0.693 . . . . 10.0 109.128 178.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.91 -37.88 79.22 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 115.389 -0.823 . . . . 10.0 109.824 178.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 15.2 mt -66.95 -36.51 82.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.858 -0.61 . . . . 10.0 109.725 178.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.0 -44.73 83.97 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.991 -0.744 . . . . 10.0 108.991 178.473 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -66.57 -41.02 89.24 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 109.327 -0.62 . . . . 10.0 109.327 178.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -62.47 -40.12 98.69 Favored Glycine 0 N--CA 1.448 -0.527 0 N-CA-C 110.04 -1.224 . . . . 10.0 110.04 177.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -65.44 -39.32 91.93 Favored 'General case' 0 CA--C 1.516 -0.341 0 N-CA-C 109.18 -0.674 . . . . 10.0 109.18 178.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 73.6 mtt180 -62.94 -40.83 98.84 Favored 'General case' 0 CA--C 1.52 -0.176 0 N-CA-C 109.31 -0.626 . . . . 10.0 109.31 178.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -66.5 -48.79 68.7 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-N 115.631 -0.713 . . . . 10.0 109.389 178.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -61.5 -39.9 92.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.546 179.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 30.7 mt -64.18 -39.55 94.23 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.438 -0.578 . . . . 10.0 109.438 178.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 35.5 t60 -64.56 -43.24 94.55 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.239 -1.023 . . . . 10.0 108.239 178.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -58.61 -46.65 86.56 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 115.593 -0.73 . . . . 10.0 109.187 177.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 87.4 mt -63.52 -40.19 96.4 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-N 115.472 -0.785 . . . . 10.0 111.261 179.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -59.95 -35.3 74.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.155 0.503 . . . . 10.0 110.114 178.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -78.07 11.15 2.42 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.67 -0.695 . . . . 10.0 110.667 178.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 495' ' ' LYS . . . . . . . . . . . . . 11.6 mttp -132.11 -45.0 0.93 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.559 179.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 97.1 mt -60.95 -32.44 71.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.987 -0.551 . . . . 10.0 111.649 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 497' ' ' SER . . . . . . . . . . . . . 15.9 m -78.17 -62.64 0.5 Allowed Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 116.385 -0.37 . . . . 10.0 111.926 179.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 498' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -63.23 -59.78 0.21 Allowed 'Trans proline' 0 C--N 1.356 0.96 0 C-N-CA 121.985 1.79 . . . . 10.0 112.451 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 499' ' ' LEU . . . . . . . . . . . . . 17.4 mt -65.16 -32.42 74.1 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-N 116.771 -0.195 . . . . 10.0 110.948 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -63.5 -48.12 80.99 Favored Glycine 0 N--CA 1.445 -0.755 0 N-CA-C 110.993 -0.843 . . . . 10.0 110.993 178.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -67.89 -35.65 78.86 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.13 -0.693 . . . . 10.0 109.13 178.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 502' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -63.54 -47.42 81.68 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 115.522 -0.763 . . . . 10.0 110.096 179.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 84.0 mmm -59.49 -38.13 80.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.004 0.431 . . . . 10.0 110.072 179.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -66.54 -40.8 89.28 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.782 -0.644 . . . . 10.0 109.57 178.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -68.28 -37.33 80.58 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.126 -0.488 . . . . 10.0 109.801 178.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 506' ' ' ARG . . . . . . . . . . . . . 50.1 mtt180 -63.24 -43.58 97.66 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 107.783 -1.191 . . . . 10.0 107.783 177.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -60.17 -40.54 90.3 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.124 -0.944 . . . . 10.0 109.462 178.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 508' ' ' ARG . . . . . . . . . . . . . 83.5 mtt180 -58.54 -50.33 74.18 Favored 'General case' 0 C--O 1.222 -0.368 0 N-CA-C 108.959 -0.756 . . . . 10.0 108.959 178.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -58.54 -36.15 73.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.537 -0.756 . . . . 10.0 111.913 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 37.1 m-70 -76.67 -49.49 16.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.656 -0.247 . . . . 10.0 110.788 179.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 76.4 t -63.3 -42.75 97.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.511 -0.313 . . . . 10.0 110.676 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -60.89 -36.37 79.07 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.157 0.503 . . . . 10.0 109.781 179.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -69.66 -44.15 71.13 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.637 -0.875 . . . . 10.0 108.637 178.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 514' ' ' LEU . . . . . . . . . . . . . 92.1 mt -60.1 -28.47 67.87 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 116.103 -0.498 . . . . 10.0 110.799 179.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 515' ' ' ARG . . . . . . . . . . . . . 79.7 mtt180 -66.42 -29.07 69.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.945 -0.57 . . . . 10.0 110.237 178.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -103.86 -6.49 21.32 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 115.753 -0.658 . . . . 10.0 110.733 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 25.0 m170 -102.09 -55.68 2.43 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.0 -0.545 . . . . 10.0 111.461 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 86.4 mt -78.35 -54.77 5.83 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.497 0.554 . . . . 10.0 112.497 -178.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 519' ' ' ALA . . . . . . . . . . . . . . . -48.78 -59.43 6.26 Favored Pre-proline 0 CA--C 1.537 0.462 0 N-CA-C 113.796 1.036 . . . . 10.0 113.796 -178.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 520' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -60.63 -37.28 80.77 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 121.725 1.617 . . . . 10.0 111.057 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -65.37 -37.24 86.43 Favored 'General case' 0 C--O 1.224 -0.276 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.265 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 13.6 m -62.62 -37.59 86.91 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.097 0.475 . . . . 10.0 110.072 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -66.68 -38.83 87.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.875 -0.602 . . . . 10.0 109.649 179.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -70.83 -36.75 73.04 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.145 -0.687 . . . . 10.0 109.145 178.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 66.2 mt -62.32 -34.59 76.92 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 109.232 -0.655 . . . . 10.0 109.232 178.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 526' ' ' ARG . . . . . . . . . . . . . 63.7 mtt180 -63.52 -40.63 97.53 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.546 -0.538 . . . . 10.0 109.546 178.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -63.16 -38.85 92.78 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.844 -0.617 . . . . 10.0 109.703 178.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 528' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -71.4 -45.3 63.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.638 -0.71 . . . . 10.0 109.586 179.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 41.4 mt -62.89 -34.67 77.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.784 -0.644 . . . . 10.0 110.425 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -64.43 -38.18 90.12 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.22 -0.659 . . . . 10.0 109.22 178.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -67.62 -43.6 80.01 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.103 -0.703 . . . . 10.0 109.103 178.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -64.35 -40.66 96.31 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.711 -0.677 . . . . 10.0 109.633 178.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 16.0 mt -64.17 -38.72 92.09 Favored 'General case' 0 C--O 1.223 -0.291 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 178.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -63.15 -41.04 99.21 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.982 -0.747 . . . . 10.0 108.982 178.256 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -66.48 -41.68 88.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.547 -0.751 . . . . 10.0 109.491 178.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 49.2 mt -68.07 -24.28 65.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.718 179.143 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 39.8 mtmt -81.1 -43.25 19.72 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.098 -0.704 . . . . 10.0 109.098 178.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -66.01 -48.58 70.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.774 -0.648 . . . . 10.0 109.563 179.255 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -75.19 -31.34 60.92 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.902 -0.59 . . . . 10.0 109.866 179.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -63.22 -52.58 46.19 Favored Glycine 0 N--CA 1.45 -0.431 0 N-CA-C 111.135 -0.786 . . . . 10.0 111.135 179.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -60.46 -38.71 95.25 Favored Glycine 0 N--CA 1.449 -0.479 0 N-CA-C 110.938 -0.865 . . . . 10.0 110.938 178.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -64.53 -50.26 68.04 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.8 -0.445 . . . . 10.0 109.8 178.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -59.85 -40.47 88.67 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 116.163 -0.471 . . . . 10.0 110.157 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 79.6 mt -64.27 -42.34 96.49 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-O 120.979 0.418 . . . . 10.0 109.881 179.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -62.01 -39.46 92.36 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.476 -0.564 . . . . 10.0 109.476 179.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -70.7 -44.16 67.49 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.565 -0.743 . . . . 10.0 109.854 178.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -59.67 -49.51 77.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.598 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 38.0 m-70 -64.71 -38.94 92.7 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.952 0.406 . . . . 10.0 110.659 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -66.72 -47.46 72.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.137 0.494 . . . . 10.0 109.939 179.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.7 -23.02 65.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.723 -0.671 . . . . 10.0 110.477 179.501 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -68.13 -42.53 80.04 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.397 -0.594 . . . . 10.0 109.397 178.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 2.6 m -68.16 -41.11 82.01 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.784 -0.644 . . . . 10.0 109.297 178.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -63.23 -41.55 99.11 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 109.008 -0.738 . . . . 10.0 109.008 178.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -65.29 -41.25 94.31 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 115.556 -0.747 . . . . 10.0 109.083 178.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 30.1 tp -60.34 -47.28 86.71 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.607 -0.724 . . . . 10.0 110.698 179.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 2.9 p -64.72 -40.6 95.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.421 -0.354 . . . . 10.0 111.411 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 1.5 p -70.58 -33.4 71.04 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.845 0.355 . . . . 10.0 110.911 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 38.1 mt -70.36 -51.84 26.9 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.243 178.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 12.5 p -65.33 -33.97 77.23 Favored 'General case' 0 C--N 1.332 -0.155 0 O-C-N 123.265 0.353 . . . . 10.0 110.625 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -52.67 -37.55 58.97 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.144 178.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 36.2 mttp -99.15 -33.91 10.58 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.01 -0.541 . . . . 10.0 111.818 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -55.37 -37.66 67.81 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 111.857 0.317 . . . . 10.0 111.857 -179.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -65.5 -63.3 3.52 Favored Pre-proline 0 CA--C 1.539 0.521 0 N-CA-C 111.953 0.353 . . . . 10.0 111.953 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_endo -63.14 -35.25 65.55 Favored 'Trans proline' 0 C--N 1.354 0.844 0 C-N-CA 122.133 1.889 . . . . 10.0 112.085 179.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -63.58 -49.05 74.91 Favored 'General case' 0 CA--C 1.52 -0.196 0 C-N-CA 121.239 -0.184 . . . . 10.0 110.753 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 11.5 mt -63.16 -39.89 95.97 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.783 -0.367 . . . . 10.0 110.179 179.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -62.4 -56.36 18.99 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.807 -0.633 . . . . 10.0 109.935 178.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -60.19 -45.18 94.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.493 -0.776 . . . . 10.0 111.761 -179.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 36.3 mt -58.23 -44.06 88.04 Favored 'General case' 0 C--O 1.223 -0.307 0 CA-C-N 116.506 -0.316 . . . . 10.0 110.638 179.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 62.7 mtt180 -69.14 -39.18 78.99 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.873 0.368 . . . . 10.0 110.09 178.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -65.56 -23.71 66.92 Favored 'General case' 0 C--O 1.228 -0.077 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.545 179.012 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -93.35 -36.9 5.76 Favored Glycine 0 N--CA 1.443 -0.856 0 N-CA-C 111.108 -0.797 . . . . 10.0 111.108 178.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 24.6 mt -60.59 -41.41 94.65 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 122.08 0.152 . . . . 10.0 111.34 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 94.9 mt -54.22 -62.09 4.46 Favored Pre-proline 0 CA--C 1.538 0.519 0 N-CA-C 113.171 0.804 . . . . 10.0 113.171 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_endo -62.97 -37.27 54.7 Favored 'Trans proline' 0 C--N 1.355 0.887 0 C-N-CA 122.19 1.926 . . . . 10.0 112.08 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 34.6 t -64.77 -43.11 96.49 Favored 'Isoleucine or valine' 0 C--O 1.231 0.09 0 CA-C-N 116.433 -0.349 . . . . 10.0 110.463 179.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 29.9 mt -64.05 -37.85 88.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.449 -0.341 . . . . 10.0 110.486 179.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -62.24 -45.54 92.87 Favored 'General case' 0 C--N 1.334 -0.095 0 N-CA-C 109.406 -0.59 . . . . 10.0 109.406 178.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 39.8 m -65.37 -38.79 91.09 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.496 -0.557 . . . . 10.0 109.496 178.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -61.82 -40.64 95.98 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.533 -0.543 . . . . 10.0 109.533 178.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -61.02 -40.48 93.73 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.174 -0.466 . . . . 10.0 109.801 178.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 53.1 t -59.91 -50.23 80.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.469 179.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.71 -32.05 72.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 10.0 111.019 179.39 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -69.14 -51.12 41.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.881 -0.599 . . . . 10.0 110.137 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 82.1 mt -59.65 -49.97 75.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.506 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 9.1 p -59.85 -36.1 76.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.702 0.287 . . . . 10.0 111.284 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -67.1 -49.45 64.95 Favored 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 109.87 -0.419 . . . . 10.0 109.87 178.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 80.3 mt -57.59 -48.33 79.67 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 115.896 -0.593 . . . . 10.0 111.0 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -57.38 -51.01 71.14 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 116.266 -0.425 . . . . 10.0 111.442 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -66.95 -38.39 86.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.672 -0.24 . . . . 10.0 111.577 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -61.73 -38.96 89.87 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-O 120.786 0.327 . . . . 10.0 110.27 178.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 29.6 m -64.46 -31.0 72.04 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.156 0.503 . . . . 10.0 110.571 179.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -81.51 -35.87 29.88 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.647 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 5.1 mptt -74.23 -37.82 63.71 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.135 0.493 . . . . 10.0 110.994 179.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 55.4 mt -102.73 54.22 0.78 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.004 -0.544 . . . . 10.0 109.878 179.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.283 -0.417 . . . . 10.0 110.301 179.656 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 C--O 1.234 0.26 0 CA-C-O 120.748 0.308 . . . . 10.0 110.66 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.01 131.54 46.07 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 116.275 -0.421 . . . . 10.0 110.829 179.653 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -96.21 135.96 37.32 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.846 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -131.27 124.43 30.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.259 -0.428 . . . . 10.0 110.252 179.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -88.91 105.61 17.87 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.186 179.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 17.7 mt -104.97 116.96 32.85 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.829 -178.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 46.2 t -107.11 129.57 60.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.324 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 11.5 t -91.86 109.79 21.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.052 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 16.4 m -110.29 147.19 14.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.104 0.478 . . . . 10.0 111.145 -179.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 150.82 172.94 20.41 Favored Glycine 0 N--CA 1.445 -0.727 0 N-CA-C 110.946 -0.862 . . . . 10.0 110.946 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.27 -173.36 1.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.043 0.449 . . . . 10.0 111.451 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.29 150.88 19.76 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.116 0.484 . . . . 10.0 111.215 -179.665 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 71.22 20.14 77.87 Favored Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.248 -0.887 . . . . 10.0 113.601 179.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 26.8 m -98.76 -14.16 7.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.982 0.391 . . . . 10.0 111.875 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 113.26 23.31 5.23 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.921 -0.657 . . . . 10.0 113.05 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -63.04 -52.41 62.94 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.075 0.464 . . . . 10.0 110.983 -179.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.05 -40.77 62.61 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.587 -179.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.42 -49.97 72.99 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.877 -0.601 . . . . 10.0 111.997 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 2.9 tp -60.47 -49.39 77.75 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.827 0.346 . . . . 10.0 110.959 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 7.4 m -61.75 -45.82 92.26 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.86 -0.609 . . . . 10.0 112.068 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.43 -34.85 69.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.789 0.328 . . . . 10.0 111.078 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -65.91 -23.44 66.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.142 0.496 . . . . 10.0 111.062 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 36.8 tp -91.95 -39.67 11.56 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.828 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 51.0 mm -77.78 -64.31 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.046 -0.525 . . . . 10.0 112.2 -179.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -89.36 -10.54 46.25 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.398 -0.365 . . . . 10.0 111.71 -178.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 63.42 35.73 11.93 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 114.206 1.187 . . . . 10.0 114.206 178.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -142.1 160.0 41.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.725 -0.216 . . . . 10.0 110.76 178.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -104.34 126.65 51.62 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.227 0.537 . . . . 10.0 112.25 -178.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 3.3 m -90.85 125.19 43.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.511 -0.768 . . . . 10.0 109.725 178.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.15 -11.5 32.64 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.334 -0.393 . . . . 10.0 110.6 -179.646 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -93.5 138.42 31.81 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.171 -0.468 . . . . 10.0 110.243 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . 0.413 ' CD1' " C5'" ' B' ' 201' ' ' GSP . 82.6 t80 -75.71 120.72 21.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.489 -0.323 . . . . 10.0 111.224 -179.487 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -127.34 101.06 25.37 Favored Pre-proline 0 C--O 1.237 0.437 0 CA-C-O 120.9 0.381 . . . . 10.0 111.647 179.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -68.42 106.38 1.41 Allowed 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 122.788 2.326 . . . . 10.0 112.056 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' THR . . . . . 0.427 ' OG1' ' O3G' ' B' ' 201' ' ' GSP . 2.0 m -88.41 139.03 30.9 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.796 -0.638 . . . . 10.0 110.447 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 47.2 mm -93.12 -49.45 12.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 109.117 -0.697 . . . . 10.0 109.117 178.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -169.46 87.72 0.16 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.746 -0.661 . . . . 10.0 109.875 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -107.82 152.77 23.94 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.85 0.357 . . . . 10.0 110.357 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -126.41 136.13 52.29 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.218 -0.447 . . . . 10.0 111.246 -179.158 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -131.85 133.38 44.59 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.2 -0.455 . . . . 10.0 110.287 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -113.46 139.37 48.98 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.446 -0.343 . . . . 10.0 110.603 -179.675 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 65.8 tttp -157.8 126.41 5.6 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.102 -0.499 . . . . 10.0 111.117 179.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -93.66 126.48 38.85 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.069 -0.514 . . . . 10.0 109.772 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 2.7 m -139.19 161.36 28.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.748 0.308 . . . . 10.0 111.032 -179.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 36.3 t -98.03 103.97 15.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.228 -0.656 . . . . 10.0 109.228 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 60.0 mt -115.27 127.78 72.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.181 -0.463 . . . . 10.0 111.011 -179.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 68.61 8.3 6.62 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.827 -0.624 . . . . 10.0 111.842 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.59 -1.9 45.85 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.736 -0.745 . . . . 10.0 111.837 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -120.56 131.06 54.48 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.589 0.233 . . . . 10.0 110.583 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -74.59 131.0 40.59 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.049 -0.723 . . . . 10.0 109.049 179.441 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 50.0 m -136.0 150.04 49.07 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.04 0.448 . . . . 10.0 111.506 -179.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 53.4 tp -100.87 112.35 24.76 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.333 -0.988 . . . . 10.0 108.333 178.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 43.9 mt -96.23 127.29 42.1 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.384 0.612 . . . . 10.0 112.397 -178.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -101.21 97.36 7.89 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.142 -0.936 . . . . 10.0 108.477 178.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 5.7 mt -89.41 133.28 31.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.567 -178.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 29.1 tp -123.17 104.23 9.04 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.286 0.565 . . . . 10.0 111.447 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -89.13 98.51 11.8 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.755 -0.831 . . . . 10.0 108.755 179.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.71 166.5 11.62 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.517 0.562 . . . . 10.0 112.517 -178.376 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.18 154.16 38.85 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.697 -0.683 . . . . 10.0 112.2 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -135.29 33.58 2.42 Favored Glycine 0 N--CA 1.448 -0.545 0 N-CA-C 110.824 -0.91 . . . . 10.0 110.824 179.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -104.71 18.53 22.09 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.59 0.233 . . . . 10.0 111.344 -179.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 65.05 -158.98 0.29 Allowed 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.801 -0.636 . . . . 10.0 112.163 179.279 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 73.44 -56.08 0.66 Allowed 'General case' 0 N--CA 1.464 0.248 0 O-C-N 123.783 0.677 . . . . 10.0 112.396 179.671 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -64.79 93.0 0.1 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.777 0.658 . . . . 10.0 112.777 -178.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 5.4 m -94.74 -48.88 5.86 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.946 -0.57 . . . . 10.0 109.642 179.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.46 -38.01 86.39 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 116.211 -0.45 . . . . 10.0 111.065 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 25.4 ttt -64.16 -37.25 86.77 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.183 179.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.99 -38.66 83.25 Favored 'General case' 0 C--N 1.334 -0.097 0 CA-C-N 115.53 -0.759 . . . . 10.0 111.282 -179.549 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.38 -20.96 66.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.762 -0.654 . . . . 10.0 112.316 -179.358 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -79.25 -65.75 0.96 Allowed 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 120.812 -0.355 . . . . 10.0 111.64 -179.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 46.9 p90 -65.36 -29.75 70.5 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 113.752 1.019 . . . . 10.0 113.752 -178.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 35.1 mtt -71.48 -16.78 62.37 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-O 120.879 0.371 . . . . 10.0 111.228 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 41.4 ttm105 -85.62 -46.61 10.62 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.15 0.5 . . . . 10.0 110.302 179.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.31 -29.65 61.71 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.714 -0.676 . . . . 10.0 112.436 -179.024 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -61.41 138.74 47.21 Favored Glycine 0 C--N 1.329 0.172 0 C-N-CA 121.0 -0.619 . . . . 10.0 113.594 -178.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -98.67 -43.06 6.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.018 0.437 . . . . 10.0 110.101 179.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -123.11 132.02 8.43 Favored Glycine 0 N--CA 1.444 -0.818 0 N-CA-C 110.667 -0.973 . . . . 10.0 110.667 179.074 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -112.89 117.55 32.43 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.701 0.63 . . . . 10.0 112.701 -178.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 11.9 tp -88.32 105.16 17.39 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 108.941 -0.763 . . . . 10.0 108.941 179.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 3.8 m -81.8 96.17 7.52 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.236 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 25.3 t -98.24 127.8 50.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.234 0.54 . . . . 10.0 111.582 -178.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -141.18 149.56 41.61 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.396 -0.82 . . . . 10.0 109.305 178.127 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -89.42 132.64 34.9 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.906 -0.405 . . . . 10.0 109.906 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 2.5 pp -66.95 -17.26 22.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.882 0.372 . . . . 10.0 111.608 -179.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 25.1 p-10 -100.1 19.53 16.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.595 179.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -139.29 113.22 8.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.283 179.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.74 -34.94 67.36 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.165 0.432 . . . . 10.0 112.165 -179.047 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 29.3 tptp -60.38 -50.99 71.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 10.0 111.392 -179.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 2.9 m -60.13 -34.98 74.27 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 112.233 0.457 . . . . 10.0 112.233 -179.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -63.69 -51.11 66.52 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.764 0.316 . . . . 10.0 111.53 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -73.83 -18.86 60.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.458 -0.337 . . . . 10.0 111.731 -179.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -68.7 -24.14 64.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.744 0.307 . . . . 10.0 111.206 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 51.8 mm -59.41 -37.9 72.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.769 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 63.5 t60 -61.59 -45.96 91.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 10.0 110.396 179.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 62.2 m-70 -64.35 -37.12 86.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.766 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -69.45 -42.67 74.63 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.706 -0.679 . . . . 10.0 110.413 179.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 43.0 ttt-85 -60.74 -45.21 95.16 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 120.902 0.382 . . . . 10.0 110.43 179.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -62.66 -38.72 91.41 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.178 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -64.52 -50.62 66.64 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.565 -0.743 . . . . 10.0 110.453 179.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 76.8 mt -56.65 -44.18 80.61 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 CA-C-N 116.165 -0.47 . . . . 10.0 111.221 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 36.3 mtmt -59.41 -36.61 76.16 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.297 -0.41 . . . . 10.0 111.496 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 6.8 tmm_? -74.22 -44.21 54.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.989 -0.551 . . . . 10.0 110.999 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 52.2 t -64.22 -42.76 96.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.528 -0.305 . . . . 10.0 111.698 -179.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -89.5 -6.16 56.66 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.367 0.506 . . . . 10.0 112.367 -179.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 32.6 t0 53.75 51.1 15.58 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 121.316 0.579 . . . . 10.0 110.728 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 27.0 t -163.01 144.5 9.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.326 -0.852 . . . . 10.0 109.891 -179.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -89.85 -27.93 19.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.852 0.358 . . . . 10.0 110.105 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -84.09 92.76 7.97 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.837 -0.619 . . . . 10.0 110.478 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 62.1 t -127.19 127.06 24.34 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.488 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo -67.63 110.3 2.06 Favored 'Trans proline' 0 C--O 1.235 0.345 0 C-N-CA 122.891 2.394 . . . . 10.0 111.304 179.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 54.9 mtm -136.6 148.27 47.4 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.832 -0.622 . . . . 10.0 111.189 -179.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 88.3 t -121.16 127.76 75.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.084 -0.507 . . . . 10.0 109.871 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 13.5 tp -85.15 109.85 18.57 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.233 -0.654 . . . . 10.0 109.233 179.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 72.2 t -114.33 115.63 50.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.962 0.41 . . . . 10.0 112.041 -178.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -99.24 105.72 3.1 Favored Glycine 0 N--CA 1.446 -0.684 0 N-CA-C 109.058 -1.617 . . . . 10.0 109.058 177.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -92.21 162.88 14.13 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 112.288 0.477 . . . . 10.0 112.288 -178.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 90.9 mttt 71.26 25.41 3.56 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.102 -0.954 . . . . 10.0 112.518 179.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 18.7 m -63.32 -18.41 63.6 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 113.058 0.762 . . . . 10.0 113.058 -179.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -82.67 -5.93 59.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.773 0.321 . . . . 10.0 111.143 -179.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 45.8 mt -88.33 138.73 30.25 Favored Pre-proline 0 C--N 1.328 -0.36 0 N-CA-C 109.992 -0.373 . . . . 10.0 109.992 179.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -73.71 158.68 46.72 Favored 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 123.066 2.511 . . . . 10.0 112.438 -179.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 22.6 m 63.7 67.58 0.62 Allowed 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.707 -0.679 . . . . 10.0 112.305 178.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 17.6 ptp180 -84.86 137.63 33.03 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.688 -0.687 . . . . 10.0 110.536 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.5 -33.27 20.38 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.745 -0.465 . . . . 10.0 109.745 179.096 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 60.5 t -96.66 112.17 28.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.168 179.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.32 145.24 44.07 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.736 -0.666 . . . . 10.0 109.43 179.178 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 1.5 m -55.83 -37.3 68.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.234 0.54 . . . . 10.0 110.699 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 20.4 mtmt -58.61 -56.99 15.0 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.146 -0.934 . . . . 10.0 111.806 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -63.67 -26.84 68.85 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 111.924 0.342 . . . . 10.0 111.924 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -71.17 -49.7 41.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 10.0 109.913 179.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -68.87 -29.87 68.26 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.167 179.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -61.81 -38.38 87.92 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.278 178.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 34.5 tp -70.79 -38.41 73.37 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.811 -0.632 . . . . 10.0 110.45 179.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -69.99 -31.05 68.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.66 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? -57.8 -44.69 86.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.634 -0.712 . . . . 10.0 111.115 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.1 -20.49 63.19 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.097 -0.501 . . . . 10.0 111.756 -179.776 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 20.5 m-30 -88.08 -42.71 12.2 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.258 0.551 . . . . 10.0 110.903 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 105.66 -0.01 39.64 Favored Glycine 0 N--CA 1.448 -0.54 0 N-CA-C 111.169 -0.772 . . . . 10.0 111.169 -179.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 45.2 pt -99.79 158.83 31.4 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 109.991 -0.374 . . . . 10.0 109.991 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -88.12 151.9 6.92 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.671 2.248 . . . . 10.0 113.405 -179.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -112.65 134.84 53.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.652 -0.704 . . . . 10.0 109.377 178.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 13.6 mt -123.23 133.62 68.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.781 0.324 . . . . 10.0 111.619 -179.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -87.32 111.88 21.51 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.164 -1.05 . . . . 10.0 108.164 177.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -120.28 164.88 15.62 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.553 0.692 . . . . 10.0 112.211 -177.284 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 5.4 t -153.23 116.14 4.54 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 107.98 -1.119 . . . . 10.0 107.98 178.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.7 -29.23 61.12 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.62 -0.511 . . . . 10.0 109.62 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -62.43 -43.21 99.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.515 -0.766 . . . . 10.0 110.948 179.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 68.5 p -93.71 -19.87 20.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.945 0.402 . . . . 10.0 110.779 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 23.2 ttt-85 72.69 15.05 4.95 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.579 -0.737 . . . . 10.0 111.474 -179.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 150' ' ' GLN . . . . . 0.405 HE22 ' NE2' ' C' ' 150' ' ' GLN . 35.6 tt0 -81.93 123.73 29.11 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.312 -0.404 . . . . 10.0 111.135 -179.704 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 84.36 -2.19 88.1 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 121.1 -0.571 . . . . 10.0 113.216 179.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 55.3 t -58.53 -51.25 73.96 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 N-CA-C 111.948 0.351 . . . . 10.0 111.948 -179.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -63.34 -44.19 95.57 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 110.156 -0.313 . . . . 10.0 110.156 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -58.94 -42.36 89.57 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.041 -0.527 . . . . 10.0 112.18 -179.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -53.53 -52.04 60.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.016 0.436 . . . . 10.0 111.124 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -69.03 -37.48 78.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.807 -0.633 . . . . 10.0 111.103 179.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -61.74 -40.64 95.81 Favored 'General case' 0 N--CA 1.457 -0.104 0 CA-C-O 120.934 0.397 . . . . 10.0 110.361 179.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 22.1 m -60.99 -39.57 90.17 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.852 179.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 15.2 tp -58.52 -40.19 82.2 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.731 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 39.4 t -67.31 -38.83 81.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.474 -0.565 . . . . 10.0 109.474 178.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.44 -39.54 94.76 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.022 179.065 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -64.17 -41.42 97.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.857 -0.611 . . . . 10.0 110.692 179.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 79.9 mt -65.3 -43.24 95.12 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.122 0 N-CA-C 109.488 -0.56 . . . . 10.0 109.488 178.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 35.1 mtt180 -61.96 -39.01 90.68 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 116.129 -0.487 . . . . 10.0 109.881 178.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 22.1 mtmt -65.94 -37.07 85.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.956 -0.565 . . . . 10.0 110.205 179.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 14.3 t-160 -64.63 -44.31 90.92 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 109.882 -0.414 . . . . 10.0 109.882 179.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -64.9 -42.12 95.04 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.897 -0.409 . . . . 10.0 109.897 178.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -60.43 -44.16 96.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.358 -0.837 . . . . 10.0 109.088 178.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 37.4 tttm -68.69 -35.8 77.67 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.398 -0.819 . . . . 10.0 110.903 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 54.9 mmm -67.61 -22.79 65.34 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.061 0.458 . . . . 10.0 111.316 179.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 12.6 m -73.63 -40.64 63.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.35 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 1.1 mttm -89.51 -15.75 32.29 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.216 179.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 173' ' ' ASP . . . . . 0.435 ' CG ' ' H ' ' B' ' 174' ' ' GLY 0.281 4.4 p30 48.05 -102.29 0.08 Allowed 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 113.254 0.835 . . . . 10.0 113.254 -178.745 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 174' ' ' GLY . . . . . 0.435 ' H ' ' CG ' ' B' ' 173' ' ' ASP . . . -140.68 -12.02 0.6 Allowed Glycine 0 N--CA 1.44 -1.046 0 N-CA-C 111.151 -0.78 . . . . 10.0 111.151 179.198 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 175' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -120.86 -95.64 0.48 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.752 0.31 . . . . 10.0 111.248 -179.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 176' ' ' LYS . . . . . . . . . . . . . 40.8 mmtm 55.88 -103.28 0.18 Allowed 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.749 -0.66 . . . . 10.0 111.754 -178.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 177' ' ' LYS . . . . . . . . . . . . . 53.3 tttp -91.77 -24.38 19.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.862 0.363 . . . . 10.0 110.501 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 10.9 ttpp 55.39 79.3 0.16 Allowed 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.763 -0.653 . . . . 10.0 111.16 -179.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 179' ' ' LYS . . . . . . . . . . . . . 3.6 mmmt -85.41 -33.61 21.91 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.591 -0.731 . . . . 10.0 111.107 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -110.84 177.08 4.79 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.187 -0.461 . . . . 10.0 111.074 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.55 130.46 46.91 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.662 -0.699 . . . . 10.0 112.03 -179.375 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -151.43 32.24 0.58 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.116 0.484 . . . . 10.0 111.395 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -93.95 -96.79 0.15 Allowed 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.828 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 184' ' ' LYS . . . . . 0.463 ' HZ1' ' C11' ' C' ' 212' ' ' PCW . 1.6 mttp . . . . . 0 C--O 1.237 0.413 0 CA-C-N 116.361 -0.381 . . . . 10.0 110.135 -179.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 8.5 m . . . . . 0 CA--C 1.529 0.141 0 CA-C-O 120.83 0.347 . . . . 10.0 111.545 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.21 126.58 30.09 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.4 -0.364 . . . . 10.0 111.502 -179.215 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -97.87 135.0 40.24 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.784 -0.45 . . . . 10.0 109.784 179.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -125.26 114.08 18.47 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.425 -0.352 . . . . 10.0 110.921 -179.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 51.3 mttm -85.71 119.65 26.27 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.543 -0.54 . . . . 10.0 109.543 179.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 20.1 mt -124.58 133.54 53.25 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.011 0.434 . . . . 10.0 111.289 -178.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 58.7 t -113.31 129.25 69.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.048 -0.524 . . . . 10.0 110.212 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 3.0 t -92.35 109.73 21.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.595 -0.52 . . . . 10.0 109.595 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 15.9 m -106.49 150.18 9.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.481 -0.327 . . . . 10.0 111.446 -179.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 155.66 176.79 28.22 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 121.229 -0.51 . . . . 10.0 112.034 -179.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.88 -174.51 5.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.987 0.422 . . . . 10.0 111.363 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.67 144.14 26.04 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.847 0.356 . . . . 10.0 110.957 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.76 11.99 83.3 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 121.121 -0.562 . . . . 10.0 113.523 179.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 34.8 m -89.52 -21.49 6.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 117.407 0.603 . . . . 10.0 111.922 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . 0.403 ' CA ' ' C8 ' ' C' ' 201' ' ' GSP . . . 108.68 20.2 8.25 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.635 -0.793 . . . . 10.0 113.709 179.052 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 33.6 mtmt -56.96 -45.17 83.03 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 112.126 0.417 . . . . 10.0 112.126 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 17' ' ' SER . . . . . 0.43 ' OG ' ' O3G' ' C' ' 201' ' ' GSP . 0.7 OUTLIER -76.28 -39.09 55.18 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.644 -0.253 . . . . 10.0 110.64 -179.833 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.91 -48.59 77.87 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.407 -0.36 . . . . 10.0 110.92 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 84.2 mt -61.4 -46.86 88.38 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.335 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 6.6 m -66.88 -46.16 75.84 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.133 -0.485 . . . . 10.0 112.106 -179.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 84.7 mt -61.58 -32.9 54.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.181 0.515 . . . . 10.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -65.23 -27.28 68.56 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.547 -0.751 . . . . 10.0 111.268 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 16.6 tp -92.43 -34.26 14.2 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.973 0.416 . . . . 10.0 111.324 -179.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 50.8 mm -81.91 -59.3 2.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.207 -0.451 . . . . 10.0 112.114 -178.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -91.23 -16.35 27.77 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.694 0.283 . . . . 10.0 111.75 -178.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 70.16 30.36 3.5 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 114.149 1.166 . . . . 10.0 114.149 178.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -137.21 156.4 48.36 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 120.929 -0.309 . . . . 10.0 110.748 179.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -93.88 135.33 35.32 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.086 0.469 . . . . 10.0 110.721 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 5.8 m -100.43 132.84 45.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.143 -0.481 . . . . 10.0 110.979 179.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -108.52 -9.63 15.34 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.975 0.893 . . . . 10.0 109.472 179.009 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -91.45 143.45 26.59 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.013 -0.994 . . . . 10.0 109.985 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -75.34 115.53 15.09 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.607 -0.269 . . . . 10.0 110.693 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -110.49 108.56 58.34 Favored Pre-proline 0 C--O 1.238 0.48 0 CA-C-N 116.286 -0.415 . . . . 10.0 111.708 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -75.69 77.66 3.29 Favored 'Trans proline' 0 N--CA 1.459 -0.559 0 C-N-CA 122.727 2.285 . . . . 10.0 110.514 178.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.47 120.89 19.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.019 -0.537 . . . . 10.0 109.871 179.416 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 27.1 mm -95.38 -46.01 13.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.073 0.463 . . . . 10.0 110.203 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -164.83 91.57 0.56 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.776 -0.647 . . . . 10.0 109.271 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.42 131.55 54.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.471 -0.331 . . . . 10.0 111.499 -179.001 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 4.4 m -100.64 144.64 29.37 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.796 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -135.29 136.25 41.48 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.314 -0.403 . . . . 10.0 110.24 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -124.1 129.11 50.3 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.713 0.292 . . . . 10.0 110.648 179.19 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -143.2 146.83 34.03 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.51 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -104.03 120.94 42.13 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.504 -0.554 . . . . 10.0 109.504 179.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 31.2 m -127.65 150.37 33.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.137 0.494 . . . . 10.0 111.131 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 22.2 t -112.64 82.88 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.096 -0.705 . . . . 10.0 109.096 179.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 34.5 pt -107.98 139.25 30.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.589 -179.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 61.87 15.98 7.6 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.406 -0.816 . . . . 10.0 111.219 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 86.09 14.0 67.73 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.888 -0.672 . . . . 10.0 111.767 -179.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -118.11 134.93 54.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.778 0.323 . . . . 10.0 110.865 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -86.77 103.16 14.94 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.03 -1.1 . . . . 10.0 108.03 178.25 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -108.3 144.59 35.61 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 112.627 0.603 . . . . 10.0 112.627 -178.353 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 62.9 tp -104.21 113.98 27.91 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 108.315 -0.994 . . . . 10.0 108.315 178.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 33.1 mt -85.13 121.35 27.76 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 112.711 0.634 . . . . 10.0 112.711 -178.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -109.75 74.63 0.9 Allowed 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 107.447 -1.316 . . . . 10.0 107.447 178.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 2.5 mt -86.79 158.36 3.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.415 -0.811 . . . . 10.0 111.761 -177.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 6.6 tp -152.24 120.99 6.51 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.323 -0.398 . . . . 10.0 111.307 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -97.33 116.49 29.64 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 108.575 -0.898 . . . . 10.0 108.575 177.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -107.98 157.49 18.18 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.258 -0.428 . . . . 10.0 111.612 -178.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.96 121.03 14.17 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.814 -0.63 . . . . 10.0 112.623 -179.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -103.03 41.93 2.01 Favored Glycine 0 N--CA 1.448 -0.512 0 N-CA-C 110.382 -1.087 . . . . 10.0 110.382 178.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -94.14 13.13 24.15 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.651 -0.275 . . . . 10.0 111.713 -178.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 68.13 172.16 0.28 Allowed 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.062 -0.517 . . . . 10.0 111.845 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 67.42 39.65 2.87 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.316 0.579 . . . . 10.0 109.651 -179.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -131.02 35.55 3.94 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.151 -0.932 . . . . 10.0 110.269 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 1.9 m -62.71 -24.43 67.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.933 -0.576 . . . . 10.0 111.797 -179.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.15 -40.59 9.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.957 0.408 . . . . 10.0 110.96 179.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 21.2 ttt -67.5 -41.19 84.9 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.972 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 68' ' ' ARG . . . . . . . . . . . . . 6.8 ttp180 -66.91 -12.84 60.74 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.991 -0.549 . . . . 10.0 111.632 -179.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -81.49 -23.38 37.39 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.021 -0.536 . . . . 10.0 111.172 -179.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -74.61 -73.73 0.23 Allowed 'General case' 0 C--O 1.234 0.285 0 N-CA-C 112.768 0.655 . . . . 10.0 112.768 -178.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 71' ' ' TYR . . . . . . . . . . . . . 15.1 p90 -60.54 -11.32 6.74 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.426 0.899 . . . . 10.0 113.426 -178.176 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 26.2 ttm -71.84 -24.46 61.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.339 0.59 . . . . 10.0 110.345 179.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 69.0 mtt180 -80.8 -43.31 20.29 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.78 -0.646 . . . . 10.0 109.705 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -73.8 -41.67 62.03 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.542 -0.754 . . . . 10.0 112.065 -179.291 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.9 131.01 36.58 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 121.012 -0.613 . . . . 10.0 112.795 -179.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -96.07 -45.75 6.77 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.05 0.452 . . . . 10.0 110.518 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -108.99 131.94 10.83 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.95 -0.643 . . . . 10.0 111.775 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 78' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -113.96 122.0 45.62 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.8 0.333 . . . . 10.0 111.09 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 17.5 tp -91.83 106.98 18.88 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.873 -0.603 . . . . 10.0 110.465 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 2.7 m -84.96 85.15 7.51 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.857 -0.61 . . . . 10.0 110.819 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 94.9 t -97.54 131.87 43.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.562 -0.745 . . . . 10.0 110.099 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 34.4 p90 -139.89 158.49 44.0 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.826 -0.625 . . . . 10.0 110.185 178.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -90.89 126.93 36.19 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.556 -0.535 . . . . 10.0 109.556 179.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 84' ' ' ILE . . . . . . . . . . . . . 21.4 pt -67.2 -17.99 23.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.929 0.395 . . . . 10.0 111.694 -179.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 19.9 p-10 -95.41 -8.03 36.7 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.488 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -120.73 103.18 8.91 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.981 0.42 . . . . 10.0 110.039 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.06 -24.78 67.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.956 -0.566 . . . . 10.0 112.523 -178.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -58.07 -44.38 87.51 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 120.95 0.405 . . . . 10.0 110.155 179.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -31.17 71.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.95 -0.568 . . . . 10.0 111.291 179.637 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -69.05 -39.75 78.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.037 -0.528 . . . . 10.0 111.096 -179.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 63.9 mt-10 -80.5 -27.8 37.66 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.902 0.382 . . . . 10.0 110.777 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.74 -21.45 66.76 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.97 -0.559 . . . . 10.0 111.164 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 42.0 mm -57.16 -43.3 81.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 10.0 111.019 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -60.19 -36.3 77.31 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.123 -0.489 . . . . 10.0 110.853 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 50.6 m-70 -62.82 -42.01 99.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.369 179.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -69.02 -46.72 67.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.881 -0.6 . . . . 10.0 110.117 179.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -52.91 -51.36 61.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.692 -179.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -67.41 -37.23 82.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.312 -0.404 . . . . 10.0 112.03 -179.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -66.27 -47.0 75.12 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.606 -0.27 . . . . 10.0 110.797 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 87.3 mt -60.12 -39.78 81.48 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 CA-C-O 121.092 0.473 . . . . 10.0 110.347 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 3.0 mtmt -67.56 -21.36 65.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.685 -0.689 . . . . 10.0 111.676 179.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 15.6 ttm180 -88.03 -47.17 8.72 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.35 0.595 . . . . 10.0 111.439 -179.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 60.8 t -64.8 -51.05 71.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.791 -0.64 . . . . 10.0 111.522 -179.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -79.52 -16.52 55.84 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 116.407 -0.36 . . . . 10.0 111.455 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 20.6 t0 58.12 32.83 22.51 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 121.448 0.642 . . . . 10.0 112.371 178.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 4.4 m -122.79 150.98 42.08 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.883 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -88.48 -48.8 7.34 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.632 -0.507 . . . . 10.0 109.632 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -76.48 98.61 4.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.401 -0.818 . . . . 10.0 110.298 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 76.3 t -119.41 110.03 37.92 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 115.563 -0.744 . . . . 10.0 109.905 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -65.37 112.99 2.28 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.817 2.345 . . . . 10.0 111.153 179.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 111' ' ' MET . . . . . . . . . . . . . 56.3 mtm -137.94 163.8 30.6 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.504 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 75.5 t -139.12 127.43 27.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 108.872 -0.788 . . . . 10.0 108.872 179.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 14.0 tp -88.31 110.87 21.11 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.356 -0.609 . . . . 10.0 109.356 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 60.9 t -116.15 127.92 73.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 112.44 0.533 . . . . 10.0 112.44 -178.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -101.53 118.1 6.05 Favored Glycine 0 N--CA 1.444 -0.808 0 N-CA-C 109.284 -1.526 . . . . 10.0 109.284 178.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -100.44 158.38 15.95 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.927 0.364 . . . . 10.0 111.938 -178.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 79.2 mttt 64.83 41.54 4.92 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-N 115.547 -0.751 . . . . 10.0 112.09 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 118' ' ' CYS . . . . . . . . . . . . . 73.8 m -74.82 2.48 10.07 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.2 -0.454 . . . . 10.0 111.813 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -92.73 -9.35 40.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.007 0.432 . . . . 10.0 110.489 179.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 64.1 mt -74.81 132.82 77.01 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.894 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -72.38 139.25 31.47 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.539 2.16 . . . . 10.0 111.909 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 13.2 m 70.31 76.09 0.2 Allowed 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 115.582 -0.735 . . . . 10.0 111.636 -179.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 9.5 ptp180 -81.03 136.63 36.0 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.667 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -76.08 -48.78 19.5 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.881 0.372 . . . . 10.0 110.902 179.449 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 99.1 t -85.16 121.01 36.5 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 CA-C-N 116.299 -0.41 . . . . 10.0 110.772 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.5 137.58 34.58 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.949 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.24 -25.03 67.59 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.167 0.508 . . . . 10.0 110.258 179.19 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -51.88 -49.89 62.07 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 115.122 -0.944 . . . . 10.0 111.932 179.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -96.52 -16.72 20.95 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.972 0.36 . . . . 10.0 111.972 -179.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.85 -42.82 94.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.843 0.354 . . . . 10.0 110.663 179.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -81.81 -22.15 37.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.295 -0.411 . . . . 10.0 110.673 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -63.81 -40.07 95.76 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.921 -0.582 . . . . 10.0 110.04 178.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 13.4 tp -66.02 -38.25 87.97 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.378 -0.828 . . . . 10.0 109.711 179.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -68.85 -27.91 66.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.636 -0.711 . . . . 10.0 111.077 179.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -57.19 -47.26 81.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.998 -0.547 . . . . 10.0 112.069 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.96 -21.15 55.2 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.898 0.38 . . . . 10.0 112.009 -179.128 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 15.3 m-30 -83.2 -33.62 26.11 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.736 0.303 . . . . 10.0 110.981 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 91.18 16.58 53.36 Favored Glycine 0 N--CA 1.451 -0.332 0 N-CA-C 110.975 -0.85 . . . . 10.0 110.975 -179.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 49.9 pt -106.12 154.49 39.57 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 115.276 -0.462 . . . . 10.0 110.197 -179.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -88.72 150.74 6.13 Favored 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 122.353 2.035 . . . . 10.0 112.805 179.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -113.78 128.7 56.52 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.205 -0.665 . . . . 10.0 109.205 178.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 54.9 mt -123.07 126.16 73.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.046 0.451 . . . . 10.0 111.969 -179.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -83.63 128.75 34.76 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.718 -1.215 . . . . 10.0 107.718 177.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 5.7 p -137.36 160.26 39.59 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 114.088 1.144 . . . . 10.0 114.088 -178.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 26.0 t -153.71 108.91 3.17 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.398 -1.274 . . . . 10.0 107.626 177.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -69.35 -24.79 63.95 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.334 -0.394 . . . . 10.0 111.524 -179.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -63.97 -42.43 97.26 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.957 179.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 7.9 p -93.76 -14.1 26.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.357 -0.383 . . . . 10.0 111.392 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 59.75 48.22 9.46 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.94 -179.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 150' ' ' GLN . . . . . 0.405 ' NE2' HE22 ' B' ' 150' ' ' GLN . 56.2 tt0 -118.43 112.48 20.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.849 -0.614 . . . . 10.0 112.005 -179.376 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 84.84 -11.86 58.67 Favored Glycine 0 N--CA 1.452 -0.248 0 CA-C-N 115.847 -0.615 . . . . 10.0 113.58 178.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 38.6 t -63.4 -42.44 96.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.742 0.306 . . . . 10.0 111.744 -178.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.26 -54.98 37.19 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.861 -0.609 . . . . 10.0 111.761 -179.095 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -65.44 -24.02 67.08 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 112.661 0.615 . . . . 10.0 112.661 -178.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -59.89 -44.17 94.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.018 0.437 . . . . 10.0 110.512 179.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -68.3 -38.57 81.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.653 -0.703 . . . . 10.0 110.461 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 15.2 m-30 -66.37 -38.29 87.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.882 -0.599 . . . . 10.0 111.113 -179.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 37.3 m -63.68 -35.21 79.8 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.198 -0.455 . . . . 10.0 110.125 179.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 33.5 tp -63.27 -37.89 89.03 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 116.17 -0.468 . . . . 10.0 109.754 178.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 44.0 t -70.67 -40.88 77.53 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 CA-C-N 115.753 -0.658 . . . . 10.0 110.17 179.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 28.5 mtm-85 -62.37 -36.83 83.49 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.228 -0.442 . . . . 10.0 111.867 -179.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -61.0 -30.0 70.03 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.611 -0.268 . . . . 10.0 110.905 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 46.0 mm -68.76 -43.66 82.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.064 178.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 33.2 ttm180 -68.12 -39.2 82.8 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 109.125 -0.695 . . . . 10.0 109.125 179.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.76 -40.21 91.64 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.336 -0.847 . . . . 10.0 109.425 178.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 15.9 t-80 -65.47 -44.26 87.72 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.606 -0.725 . . . . 10.0 110.293 179.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -58.97 -45.78 89.71 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.33 -0.395 . . . . 10.0 110.846 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -64.36 -51.45 63.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.947 -0.57 . . . . 10.0 111.373 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -66.4 -24.75 66.52 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.32 -0.4 . . . . 10.0 111.978 -178.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -66.93 -30.64 70.83 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.74 -0.467 . . . . 10.0 109.74 178.345 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 10.2 m -75.26 -17.29 60.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.823 -0.626 . . . . 10.0 109.723 178.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -98.94 17.89 18.5 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.645 -0.707 . . . . 10.0 109.957 179.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 173' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -118.44 106.3 12.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.51 179.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . 91.11 -91.72 1.68 Allowed Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.887 -0.673 . . . . 10.0 112.761 179.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 175' ' ' LYS . . . . . 0.485 ' NZ ' ' O4 ' ' C' ' 214' ' ' 17F . 12.0 mptt -75.71 87.25 2.75 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.262 0.553 . . . . 10.0 112.313 -178.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 176' ' ' LYS . . . . . . . . . . . . . 5.7 tmtt? -138.36 130.41 28.44 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.492 -0.777 . . . . 10.0 109.661 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 177' ' ' LYS . . . . . . . . . . . . . 31.4 ttmt -70.14 -88.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.056 0.391 . . . . 10.0 112.056 -179.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 178' ' ' LYS . . . . . . . . . . . . . 7.4 pttt -163.51 -148.79 0.13 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.567 -0.288 . . . . 10.0 110.818 -179.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 179' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -83.52 -77.28 0.26 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.681 0.277 . . . . 10.0 111.052 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 180' ' ' LYS . . . . . . . . . . . . . 13.0 tptp -150.9 4.06 0.47 Allowed 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 111.838 0.311 . . . . 10.0 111.838 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 19.4 m 71.26 18.61 5.63 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.175 0.435 . . . . 10.0 112.175 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 182' ' ' LYS . . . . . . . . . . . . . 5.8 tmtp? 51.39 67.15 1.0 Allowed 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.866 -0.606 . . . . 10.0 112.105 179.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 1.4 p -96.13 110.28 22.58 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.287 -0.415 . . . . 10.0 111.251 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 184' ' ' LYS . . . . . 0.436 ' N ' ' C6 ' ' A' ' 410' ' ' PCW . 58.7 mttt . . . . . 0 N--CA 1.467 0.383 0 CA-C-N 115.864 -0.607 . . . . 10.0 111.768 -179.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 401' ' ' PCW . . . . . 0.456 ' C22' ' C18' ' A' ' 401' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 402' ' ' PCW . . . . . 0.598 ' C35' ' C31' ' A' ' 402' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 403' ' ' PCW . . . . . 0.623 ' C3 ' ' O1P' ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 404' ' ' PCW . . . . . 0.842 ' C22' ' C18' ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 405' ' ' PCW . . . . . 0.467 ' O11' ' C2 ' ' A' ' 405' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 406' ' ' PCW . . . . . 0.544 ' O3P' ' O31' ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 407' ' ' PCW . . . . . 0.812 ' C21' ' C17' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 408' ' ' PCW . . . . . 0.57 ' O4P' ' C6 ' ' A' ' 408' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 409' ' ' PCW . . . . . 0.815 ' C14' ' C19' ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 410' ' ' PCW . . . . . 0.479 ' O4P' ' C7 ' ' A' ' 410' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 411' ' ' PCW . . . . . 0.516 ' C31' ' O3 ' ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 412' ' ' PCW . . . . . 0.487 ' O31' ' O3 ' ' A' ' 412' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 413' ' ' PCW . . . . . 0.529 ' C5 ' ' O2P' ' C' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 414' ' ' PCW . . . . . 0.641 ' C47' ' C43' ' A' ' 414' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 415' ' ' 17F . . . . . 0.479 ' C2 ' ' O1 ' ' A' ' 415' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 416' ' ' 17F . . . . . 0.48 ' O10' ' O6 ' ' A' ' 416' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 417' ' ' PCW . . . . . 0.53 ' O31' ' P ' ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 418' ' ' PCW . . . . . 0.583 ' C6 ' ' O4P' ' A' ' 418' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 419' ' ' PCW . . . . . 0.512 ' O3 ' ' O31' ' A' ' 419' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 420' ' ' PCW . . . . . 0.51 ' C31' ' O3 ' ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 421' ' ' PCW . . . . . 0.604 ' O3P' ' O31' ' A' ' 421' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 422' ' ' 17F . . . . . 0.541 ' C6 ' ' C14' ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 601' ' ' PCW . . . . . 0.657 ' C42' ' C46' ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 602' ' ' PCW . . . . . 0.627 ' C21' ' C17' ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 603' ' ' PCW . . . . . 0.545 ' C41' ' C37' ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 604' ' ' PCW . . . . . 0.558 ' O3 ' ' O31' ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 605' ' ' PCW . . . . . 0.679 ' O31' ' P ' ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 606' ' ' PCW . . . . . 0.614 ' C17' ' C21' ' D' ' 606' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 607' ' ' PCW . . . . . 0.55 ' C11' ' O31' ' D' ' 607' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 608' ' ' PCW . . . . . 0.514 ' O1P' ' C22' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 609' ' ' PCW . . . . . 0.563 ' C6 ' ' O11' ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 610' ' ' PCW . . . . . 0.63 ' C20' ' C24' ' D' ' 610' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 611' ' ' PCW . . . . . 0.478 ' O11' ' O2 ' ' D' ' 611' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 612' ' ' PCW . . . . . 0.56 ' C32' ' C35' ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 613' ' ' PCW . . . . . 0.666 ' C21' ' C17' ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 614' ' ' PCW . . . . . 0.609 ' C5 ' ' O1P' ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 615' ' ' PCW . . . . . 0.644 ' C46' ' C42' ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 616' ' ' PCW . . . . . 0.46 ' C7 ' ' C12' ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 617' ' ' PCW . . . . . 0.492 ' C39' ' C14' ' D' ' 619' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 618' ' ' PCW . . . . . 0.628 ' C23' ' C27' ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 619' ' ' PCW . . . . . 0.508 ' C35' ' C34' ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 620' ' ' PCW . . . . . 0.503 ' C39' ' C43' ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 621' ' ' PCW . . . . . 0.563 ' O11' ' C6 ' ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 622' ' ' PCW . . . . . 0.541 ' C14' ' C6 ' ' A' ' 422' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 623' ' ' PCW . . . . . 0.677 ' C32' ' C36' ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 624' ' ' PCW . . . . . 0.645 ' C24' ' C20' ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 625' ' ' PCW . . . . . 0.56 ' C15' ' C19' ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 626' ' ' PCW . . . . . 0.656 ' C23' ' C27' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 627' ' ' PCW . . . . . 0.605 ' C20' ' C35' ' C' ' 217' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 628' ' ' 17F . . . . . 0.636 ' C31' ' C19' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 629' ' ' 17F . . . . . 0.56 ' O10' ' O7 ' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 630' ' ' 17F . . . . . 0.54 ' O10' ' O6 ' ' D' ' 630' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 631' ' ' 17F . . . . . 0.567 ' O10' ' O7 ' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 632' ' ' 17F . . . . . 0.519 ' C6 ' ' O10' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 201' ' ' GSP . . . . . 0.609 ' O3G' 'MG ' ' B' ' 202' ' ' ' MG' . . . . . . . . 0 O4'--C1' 1.436 1.86 2 O4'-C1'-N19 112.911 4.711 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 202' ' ' ' MG' . . . . . 0.609 'MG ' ' O3G' ' B' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 203' ' ' PCW . . . . . 0.536 ' C7 ' ' O31' ' C' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 204' ' ' PCW . . . . . 0.72 ' C21' ' C17' ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 205' ' ' PCW . . . . . 0.659 ' C21' ' C25' ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 206' ' ' PCW . . . . . 0.582 ' C6 ' ' O4P' ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 207' ' ' PCW . . . . . 0.527 ' O1P' ' C3 ' ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 208' ' ' PCW . . . . . 0.646 ' O31' ' O4P' ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 209' ' ' 17F . . . . . 0.646 ' C31' ' C19' ' B' ' 209' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 210' ' ' 17F . . . . . 0.534 ' C23' ' C12' ' B' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 211' ' ' 17F . . . . . 0.447 ' O2 ' ' C2 ' ' B' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 201' ' ' GSP . . . . . 0.625 ' O3G' 'MG ' ' C' ' 202' ' ' ' MG' . . . . . . . . 0 O4'--C1' 1.436 1.843 2 O4'-C1'-N19 112.5 4.3 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 202' ' ' ' MG' . . . . . 0.625 'MG ' ' O3G' ' C' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 203' ' ' PCW . . . . . 0.63 ' C21' ' C25' ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 204' ' ' PCW . . . . . 0.614 ' C42' ' C46' ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 205' ' ' PCW . . . . . 0.653 ' P ' ' C31' ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 206' ' ' PCW . . . . . 0.505 ' C1 ' ' C12' ' C' ' 214' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 207' ' ' PCW . . . . . 0.517 ' C3 ' ' P ' ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 208' ' ' PCW . . . . . 0.551 ' C7 ' ' O31' ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 209' ' ' PCW . . . . . 0.641 ' C22' ' C26' ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 210' ' ' PCW . . . . . 0.655 ' C26' ' C22' ' C' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 211' ' ' PCW . . . . . 0.573 ' C34' ' C1 ' ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 212' ' ' PCW . . . . . 0.651 ' C20' ' C24' ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 213' ' ' 17F . . . . . 0.471 ' O10' ' C12' ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 214' ' ' 17F . . . . . 0.545 ' N1 ' ' O31' ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 215' ' ' 17F . . . . . 0.643 ' N1 ' ' O2 ' ' C' ' 215' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 216' ' ' PCW . . . . . 0.53 ' C1 ' ' O31' ' C' ' 216' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 217' ' ' PCW . . . . . 0.605 ' C35' ' C20' ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 218' ' ' 17F . . . . . 0.69 ' O7 ' ' C18' ' C' ' 218' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 219' ' ' 17F . . . . . 0.428 ' O10' ' O7 ' ' C' ' 219' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 55.4 mt . . . . . 0 N--CA 1.454 -0.252 0 CA-C-O 121.071 0.462 . . . . 10.0 110.275 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 18.2 tttm -64.53 -41.55 96.3 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.461 -0.791 . . . . 10.0 111.323 -179.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 96.4 mt -65.66 -29.0 69.51 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.903 0.334 . . . . 10.0 111.903 -179.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 45.8 mt -82.2 -50.9 8.48 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.51 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -63.32 -43.42 97.83 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.579 -0.737 . . . . 10.0 112.495 -179.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -69.95 -23.73 63.24 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.845 0.355 . . . . 10.0 111.409 -179.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 27.6 t90 -77.82 -26.3 49.46 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.212 0.53 . . . . 10.0 109.654 179.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -61.48 -28.8 69.55 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.427 -0.806 . . . . 10.0 110.9 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -74.2 -25.76 59.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.825 -0.625 . . . . 10.0 109.654 178.613 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 5.0 t -77.18 -46.42 28.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.153 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -59.39 -44.19 92.82 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.749 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 2.3 p -62.05 -42.59 99.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.801 0.334 . . . . 10.0 110.366 179.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 40.2 m -63.75 -39.45 94.3 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 109.693 -0.484 . . . . 10.0 109.693 178.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -62.12 -42.48 99.28 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 116.111 -0.495 . . . . 10.0 109.791 178.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 14.1 m -63.13 -44.89 94.3 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.956 -0.566 . . . . 10.0 110.128 179.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 45.1 mmtt -61.89 -43.27 99.18 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 115.946 -0.57 . . . . 10.0 109.849 178.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 21.0 mt -59.74 -43.23 94.34 Favored 'General case' 0 C--O 1.221 -0.408 0 CA-C-N 115.696 -0.684 . . . . 10.0 110.135 178.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 -65.44 -31.79 73.06 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.107 0.479 . . . . 10.0 110.918 179.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -69.37 -27.95 65.77 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 109.282 -0.636 . . . . 10.0 109.282 178.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -87.95 -34.98 17.91 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.448 -0.796 . . . . 10.0 109.756 179.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 30.6 mt -55.97 -36.49 67.9 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 115.749 -0.659 . . . . 10.0 111.747 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -54.42 -68.88 1.44 Allowed Glycine 0 C--N 1.335 0.504 0 N-CA-C 110.702 -0.959 . . . . 10.0 110.702 178.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -55.68 -39.92 88.3 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.514 2.143 . . . . 10.0 111.403 177.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 11.4 t -56.27 -54.02 32.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-N 116.564 -0.289 . . . . 10.0 111.669 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 11.7 p -64.77 -36.5 84.5 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.892 -0.323 . . . . 10.0 110.499 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -63.5 -51.0 67.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.639 179.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -66.86 -36.55 82.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.078 0.466 . . . . 10.0 110.231 179.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -66.66 -50.61 62.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.504 179.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -66.31 -34.77 78.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.056 -0.52 . . . . 10.0 111.079 179.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -61.43 -43.28 99.14 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.626 -0.509 . . . . 10.0 109.626 179.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -72.49 -35.58 68.21 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 115.731 -0.668 . . . . 10.0 110.106 178.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 41.5 mt -60.8 -38.59 85.88 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.378 -0.601 . . . . 10.0 109.378 178.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -65.14 -31.21 72.29 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.732 -0.667 . . . . 10.0 110.734 178.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 74.4 mttt -72.29 -43.58 64.02 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.343 -0.614 . . . . 10.0 109.343 179.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -63.95 -44.65 92.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.164 179.053 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 6.4 p -67.8 -40.18 83.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.709 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -59.96 -41.2 91.43 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 109.893 -0.41 . . . . 10.0 109.893 179.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -62.14 -45.18 96.59 Favored Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 110.186 -1.165 . . . . 10.0 110.186 177.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 94.0 mt -65.95 -31.02 71.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.906 0.384 . . . . 10.0 110.491 179.137 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 64.2 mtt180 -66.11 -38.93 89.42 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 109.601 -0.518 . . . . 10.0 109.601 178.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -74.81 -36.06 62.47 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.857 -0.794 . . . . 10.0 108.857 178.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -65.04 -27.17 68.61 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.474 -0.785 . . . . 10.0 110.13 178.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 41.0 ttm -55.41 -34.2 64.18 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.362 179.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.99 -2.81 10.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.801 -0.636 . . . . 10.0 111.051 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 58.0 mttm -130.55 -61.68 0.95 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.408 -0.36 . . . . 10.0 110.511 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 246' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -54.75 -34.36 62.46 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.948 -178.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . 96.3 mt -107.48 -44.04 4.39 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.454 -0.339 . . . . 10.0 111.837 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -65.4 -42.04 93.0 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.651 0.612 . . . . 10.0 112.651 -179.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -67.89 -36.86 80.97 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.793 -0.363 . . . . 10.0 110.229 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 250' ' ' VAL . . . . . . . . . . . . . 1.6 p -69.68 -20.84 23.98 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.388 0 CA-C-O 121.045 0.45 . . . . 10.0 110.439 179.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 23.0 mmtp -79.99 -42.5 23.76 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.077 -0.712 . . . . 10.0 109.077 178.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -73.11 -40.62 64.81 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.721 -0.672 . . . . 10.0 110.731 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -77.61 -19.67 55.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.077 -0.511 . . . . 10.0 111.675 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 254' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.25 -26.68 39.98 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.152 0 N-CA-C 109.989 -0.375 . . . . 10.0 109.989 179.466 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -63.3 -66.25 1.64 Allowed Pre-proline 0 CA--C 1.536 0.413 0 CA-C-N 115.855 -0.612 . . . . 10.0 110.823 179.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -61.72 -32.53 86.57 Favored 'Trans proline' 0 C--N 1.357 1.014 0 C-N-CA 121.792 1.661 . . . . 10.0 111.849 179.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 5.3 m-30 -64.89 -53.63 43.47 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.451 -0.34 . . . . 10.0 110.649 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 64.3 mt -71.61 -36.3 70.75 Favored 'General case' 0 C--O 1.222 -0.393 0 CA-C-N 116.323 -0.399 . . . . 10.0 110.769 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -62.67 -42.23 99.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.686 0.279 . . . . 10.0 111.231 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -64.99 -44.74 88.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.037 0.446 . . . . 10.0 109.953 179.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -67.88 -42.4 81.29 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.655 -0.702 . . . . 10.0 110.794 179.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -62.56 -44.94 95.09 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.448 -0.342 . . . . 10.0 110.543 179.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -62.87 -44.41 96.18 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.742 -0.466 . . . . 10.0 109.742 179.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 264' ' ' LYS . . . . . . . . . . . . . 35.9 mttt -64.23 -38.47 91.16 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.792 -0.64 . . . . 10.0 109.974 178.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -66.15 -37.27 85.27 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.801 -0.636 . . . . 10.0 110.172 178.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -61.41 -44.97 96.22 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.857 -0.794 . . . . 10.0 108.857 178.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -64.93 -44.66 88.78 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.706 -0.679 . . . . 10.0 109.45 178.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -58.88 -51.31 70.56 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.745 -0.661 . . . . 10.0 110.966 179.293 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 28.8 mmm -62.42 -43.36 98.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.888 -0.597 . . . . 10.0 111.354 -179.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -63.64 -45.51 89.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.397 -0.365 . . . . 10.0 110.374 178.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 52.1 mt -61.87 -37.36 84.26 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-O 121.045 0.45 . . . . 10.0 110.163 178.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -64.93 -38.26 90.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 10.0 109.956 178.793 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 78.7 mtt180 -70.7 -41.98 71.25 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.276 0.56 . . . . 10.0 110.07 179.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -64.63 -19.59 65.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.167 -0.924 . . . . 10.0 110.079 179.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 275' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -98.35 -46.58 5.74 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.993 -0.548 . . . . 10.0 110.552 179.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 3.9 p -54.93 -31.51 24.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 112.768 0.655 . . . . 10.0 112.768 -178.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -66.06 -63.88 2.84 Favored Pre-proline 0 CA--C 1.536 0.417 0 N-CA-C 111.641 0.237 . . . . 10.0 111.641 179.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -64.18 -36.13 48.64 Favored 'Trans proline' 0 C--N 1.356 0.931 0 C-N-CA 121.849 1.699 . . . . 10.0 112.435 178.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 19.2 mt -63.18 -36.17 82.74 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-O 120.749 0.309 . . . . 10.0 110.202 179.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -64.81 -34.96 79.59 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 116.181 -0.463 . . . . 10.0 109.83 179.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -62.25 -47.14 85.68 Favored 'General case' 0 C--N 1.332 -0.168 0 O-C-N 123.279 0.362 . . . . 10.0 110.184 179.312 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -62.9 -39.9 95.91 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.7 -0.682 . . . . 10.0 110.19 179.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 84.6 mt -70.45 -38.86 74.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.922 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -67.92 -55.48 12.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.343 -0.389 . . . . 10.0 110.549 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -62.65 -38.21 89.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.923 -0.581 . . . . 10.0 110.92 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -66.18 -45.99 82.87 Favored Glycine 0 N--CA 1.444 -0.788 0 N-CA-C 111.093 -0.803 . . . . 10.0 111.093 178.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -61.43 -38.57 87.65 Favored 'General case' 0 CA--C 1.517 -0.318 0 N-CA-C 110.354 -0.239 . . . . 10.0 110.354 179.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 65.5 mtt180 -55.78 -50.03 71.56 Favored 'General case' 0 CA--C 1.52 -0.18 0 O-C-N 123.575 0.547 . . . . 10.0 110.411 179.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 4.2 tm0? -66.38 -45.53 79.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.965 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -60.46 -44.65 95.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.345 -0.389 . . . . 10.0 111.062 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 68.1 mt -65.15 -39.06 92.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 10.0 109.873 178.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -64.52 -44.45 90.86 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 115.893 -0.594 . . . . 10.0 109.767 178.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.73 -42.66 84.31 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 121.41 0.624 . . . . 10.0 109.619 178.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 95.6 mt -66.28 -43.92 85.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.53 -0.759 . . . . 10.0 110.123 178.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -63.13 -34.6 77.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.207 -0.451 . . . . 10.0 110.915 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -65.07 -11.53 40.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.934 -0.576 . . . . 10.0 110.924 179.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -114.64 -38.55 3.97 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.321 178.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 61.4 mt -59.2 -28.59 66.79 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.72 0.637 . . . . 10.0 112.72 -179.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 299' ' ' SER . . . . . . . . . . . . . 20.1 m -84.21 -63.02 0.25 Allowed Pre-proline 0 CA--C 1.539 0.539 0 N-CA-C 112.853 0.686 . . . . 10.0 112.853 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 300' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -64.13 -50.02 3.25 Favored 'Trans proline' 0 C--N 1.355 0.883 0 C-N-CA 121.468 1.445 . . . . 10.0 111.834 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 95.7 mt -72.77 -25.51 61.2 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.95 -0.389 . . . . 10.0 109.95 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -67.53 -46.75 66.94 Favored Glycine 0 N--CA 1.448 -0.546 0 N-CA-C 110.135 -1.186 . . . . 10.0 110.135 178.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -68.63 -34.19 75.31 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.633 -0.506 . . . . 10.0 109.633 178.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -65.66 -36.0 82.41 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.831 -0.803 . . . . 10.0 108.831 178.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 15.3 tpt -63.55 -41.09 98.45 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 108.803 -0.814 . . . . 10.0 108.803 178.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 72.4 mtt180 -68.53 -40.03 80.9 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.416 -0.811 . . . . 10.0 109.329 179.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -59.26 -45.18 91.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.419 -0.809 . . . . 10.0 109.633 178.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 -72.31 -33.14 67.15 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.495 -0.775 . . . . 10.0 110.354 178.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -65.96 -32.65 74.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.063 -0.517 . . . . 10.0 109.721 178.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 310' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -58.75 -54.99 40.87 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 108.68 -0.859 . . . . 10.0 108.68 177.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -63.58 -38.39 90.93 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 115.762 -0.654 . . . . 10.0 109.997 179.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.55 -54.7 29.26 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 115.827 -0.624 . . . . 10.0 110.079 178.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 47.6 t -76.34 -36.93 30.45 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 CA-C-N 115.775 -0.648 . . . . 10.0 111.753 -179.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.23 -46.5 90.13 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.842 0.353 . . . . 10.0 111.014 -179.661 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -65.35 -32.01 73.43 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.546 -0.539 . . . . 10.0 109.546 178.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 12.0 mt -67.69 -49.01 64.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.589 -0.732 . . . . 10.0 109.31 178.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 35.2 ttm105 -60.58 -40.28 91.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.063 179.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 86.4 m -61.1 -30.38 70.32 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.489 -0.778 . . . . 10.0 110.729 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 27.5 m80 -91.25 -36.12 14.08 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.362 -0.381 . . . . 10.0 110.42 179.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 35.4 mt -63.58 -37.14 86.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.847 -0.615 . . . . 10.0 112.506 -179.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -53.52 -60.07 7.95 Favored Pre-proline 0 CA--C 1.536 0.435 0 N-CA-C 111.829 0.307 . . . . 10.0 111.829 179.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -67.54 -32.88 30.38 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 121.631 1.554 . . . . 10.0 111.179 178.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 4.7 m-30 -61.29 -46.48 90.14 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-N 116.569 -0.287 . . . . 10.0 110.874 179.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 12.8 p -71.74 -34.17 69.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.065 0.459 . . . . 10.0 109.924 179.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -60.5 -51.68 68.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.769 -0.65 . . . . 10.0 109.384 178.436 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -69.44 -27.96 65.7 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.892 -0.595 . . . . 10.0 109.816 178.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.22 -38.37 90.18 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.341 -0.614 . . . . 10.0 109.341 178.541 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -65.18 -35.77 82.11 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.369 -0.604 . . . . 10.0 109.369 178.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -67.58 -42.36 82.65 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 108.249 -1.019 . . . . 10.0 108.249 178.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 22.3 mtt-85 -63.1 -46.37 87.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.311 -0.858 . . . . 10.0 110.071 179.127 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 89.3 mt -56.72 -43.31 80.47 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.646 -0.501 . . . . 10.0 109.646 179.038 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -65.24 -46.46 80.48 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.644 -0.707 . . . . 10.0 110.251 179.003 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -59.83 -42.71 94.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.953 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 8.7 mmt180 -67.75 -48.48 66.29 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.038 179.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 56.1 mt -63.45 -39.3 94.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.86 -0.609 . . . . 10.0 112.275 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -60.15 -49.51 77.35 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 120.907 0.384 . . . . 10.0 110.266 179.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -65.48 -45.56 83.19 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.806 -0.634 . . . . 10.0 110.238 179.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 23.7 mt -64.23 -23.5 67.33 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.2 -0.454 . . . . 10.0 112.104 179.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -85.71 -47.95 9.3 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 122.058 -0.401 . . . . 10.0 110.7 179.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.01 -41.61 97.41 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.044 0.449 . . . . 10.0 109.875 179.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -75.95 -35.72 59.59 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.823 -0.806 . . . . 10.0 108.823 178.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -61.45 -44.38 98.09 Favored Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 115.648 -0.706 . . . . 10.0 111.544 179.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -61.75 -36.57 92.92 Favored Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 110.482 -1.047 . . . . 10.0 110.482 178.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -66.59 -43.81 83.87 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 109.322 -0.621 . . . . 10.0 109.322 178.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 16.5 mtm180 -62.83 -44.07 97.12 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.27 179.1 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 56.1 mt -60.74 -43.37 98.02 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.791 179.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -66.87 -36.68 82.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.196 0.522 . . . . 10.0 109.863 178.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -66.38 -52.78 43.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.67 -0.695 . . . . 10.0 110.012 178.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -63.69 -29.54 70.76 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.035 -0.53 . . . . 10.0 111.012 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.88 -44.3 85.72 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.39 -0.967 . . . . 10.0 108.39 178.102 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -67.78 -43.63 79.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.394 -0.821 . . . . 10.0 109.847 179.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 28.1 mttm -59.49 -42.23 91.67 Favored 'General case' 0 C--O 1.225 -0.201 0 CA-C-N 115.813 -0.631 . . . . 10.0 110.026 178.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -60.01 -41.12 91.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.857 -0.61 . . . . 10.0 110.016 178.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 7.8 m -63.39 -41.97 98.79 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.187 -0.46 . . . . 10.0 109.941 178.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -68.65 -33.17 73.53 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.546 179.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 10.3 m-70 -72.43 -32.04 65.99 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 109.148 -0.686 . . . . 10.0 109.148 178.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 33.2 mt -72.08 -38.49 69.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.017 -0.538 . . . . 10.0 111.211 179.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.19 -47.04 78.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.952 0.406 . . . . 10.0 110.079 179.162 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 7.5 p -69.47 -29.27 66.91 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.945 -0.571 . . . . 10.0 109.693 179.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 51.6 tp -68.54 -32.98 73.31 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 108.788 -0.819 . . . . 10.0 108.788 178.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 50.9 m -65.72 -32.0 73.3 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.783 -0.644 . . . . 10.0 109.782 179.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -68.22 -19.56 64.76 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.694 0.759 . . . . 10.0 109.513 178.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 363' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -99.32 -32.28 11.26 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.487 -0.779 . . . . 10.0 110.018 178.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -75.44 -29.07 59.58 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.851 -0.613 . . . . 10.0 112.057 -179.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 66.9 mttt -106.67 -73.44 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.436 0 N-CA-C 112.521 0.563 . . . . 10.0 112.521 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -58.31 -53.27 4.31 Favored 'Trans proline' 0 C--N 1.36 1.177 0 C-N-CA 122.22 1.947 . . . . 10.0 113.02 -179.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 367' ' ' ALA . . . . . . . . . . . . . . . -63.3 -50.21 70.96 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.242 0.46 . . . . 10.0 112.242 -179.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 7.8 mt -61.0 -40.79 94.86 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.706 0.261 . . . . 10.0 111.706 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -66.81 -41.83 86.91 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.858 -0.423 . . . . 10.0 109.858 179.114 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -60.55 -45.79 92.57 Favored 'General case' 0 C--O 1.232 0.143 0 N-CA-C 109.197 -0.668 . . . . 10.0 109.197 178.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 91.7 mt -63.1 -40.91 99.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.563 -0.744 . . . . 10.0 109.955 178.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 86.0 mtt180 -61.63 -47.17 86.61 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.48 178.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -64.75 -33.73 76.65 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.68 -0.691 . . . . 10.0 110.36 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -73.65 -34.2 57.06 Favored Glycine 0 N--CA 1.447 -0.581 0 N-CA-C 111.022 -0.831 . . . . 10.0 111.022 178.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 61.8 mt -70.55 -28.8 65.2 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 115.791 -0.204 . . . . 10.0 111.328 179.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 77.8 mt -49.24 -62.56 2.31 Favored Pre-proline 0 CA--C 1.534 0.356 0 N-CA-C 112.352 0.501 . . . . 10.0 112.352 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -71.38 -25.91 21.08 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 121.575 1.516 . . . . 10.0 111.313 179.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 4.3 t -63.04 -44.36 99.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 109.618 -0.512 . . . . 10.0 109.618 179.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 67.8 mt -66.54 -32.59 74.03 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.381 -0.6 . . . . 10.0 109.381 178.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -63.59 -48.95 75.31 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.969 -0.56 . . . . 10.0 109.515 178.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.31 -32.62 73.39 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 110.033 -0.358 . . . . 10.0 110.033 178.64 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -66.75 -42.97 85.32 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-N 116.186 -0.461 . . . . 10.0 109.999 178.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -61.32 -47.82 84.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.14 179.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 56.1 t -59.06 -43.54 89.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.764 -0.653 . . . . 10.0 111.235 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 4.8 p -73.18 -40.93 64.41 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.164 0.431 . . . . 10.0 112.164 -179.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -64.54 -45.84 85.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.607 -0.27 . . . . 10.0 111.169 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 95.1 mt -60.71 -51.61 68.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.3 -0.409 . . . . 10.0 111.388 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 5.6 p -60.38 -40.67 91.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.299 -0.41 . . . . 10.0 111.098 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -61.07 -44.41 97.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.817 0.341 . . . . 10.0 110.532 179.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 74.0 mt -59.65 -41.15 89.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.481 . . . . 10.0 109.987 179.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -67.14 -41.16 86.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.103 -0.498 . . . . 10.0 109.884 179.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -57.67 -50.29 73.67 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 115.955 -0.566 . . . . 10.0 111.199 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -61.44 -44.28 97.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.747 -0.661 . . . . 10.0 110.759 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 50.7 m -65.41 -38.32 89.57 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.111 -0.495 . . . . 10.0 112.043 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 46.2 mtmt -66.79 -35.23 79.59 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.731 0.641 . . . . 10.0 112.731 -179.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -97.09 -44.58 6.91 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 113.934 1.087 . . . . 10.0 113.934 -177.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 83.1 mt -76.51 -23.73 53.72 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.667 0.618 . . . . 10.0 112.667 -178.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 45.3 t30 . . . . . 0 C--N 1.324 -0.536 0 CA-C-O 120.885 0.374 . . . . 10.0 111.291 -179.125 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 CA--C 1.522 -0.116 0 CA-C-O 121.202 0.525 . . . . 10.0 110.752 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.85 30.94 5.87 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.76 -0.655 . . . . 10.0 109.961 179.532 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 4.3 mt -58.69 -49.07 78.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.247 -0.888 . . . . 10.0 110.283 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 71.0 mt -64.05 -33.75 76.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.376 -0.829 . . . . 10.0 110.943 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.87 -51.25 63.03 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.94 -0.573 . . . . 10.0 109.611 179.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -63.9 -40.74 97.22 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-O 120.979 0.419 . . . . 10.0 110.318 179.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 1.6 m95 -59.73 -39.13 83.68 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.099 178.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -60.98 -46.69 89.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.769 -0.65 . . . . 10.0 110.401 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 1.5 m -60.73 -44.83 96.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.745 -0.661 . . . . 10.0 110.194 179.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 62.9 t -64.05 -41.81 93.66 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.478 179.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 33.9 m -61.78 -38.26 87.38 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 109.656 -0.498 . . . . 10.0 109.656 178.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 35.4 m -64.64 -40.53 95.61 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 109.286 -0.635 . . . . 10.0 109.286 178.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 11.0 m -63.12 -43.69 97.7 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 109.693 -0.484 . . . . 10.0 109.693 178.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -60.48 -38.8 85.43 Favored 'General case' 0 C--O 1.232 0.155 0 N-CA-C 109.595 -0.521 . . . . 10.0 109.595 178.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 36.5 m -63.69 -46.11 87.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.669 -0.696 . . . . 10.0 109.643 178.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 37.2 mmtt -60.16 -35.02 74.41 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.378 179.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 75.0 mt -66.92 -40.7 87.71 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.033 178.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 61.3 mtt180 -66.71 -36.17 81.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.134 -0.484 . . . . 10.0 110.633 179.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -66.17 -18.66 65.49 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 115.786 -0.643 . . . . 10.0 110.185 178.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -94.95 -50.39 5.13 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 115.716 -0.675 . . . . 10.0 109.481 178.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 78.8 mt -46.65 -43.82 17.89 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.523 -0.762 . . . . 10.0 112.305 -179.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -55.39 -72.04 0.63 Allowed Glycine 0 CA--C 1.519 0.302 0 C-N-CA 121.203 -0.522 . . . . 10.0 112.273 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -57.58 -39.07 91.22 Favored 'Trans proline' 0 CA--C 1.533 0.455 0 C-N-CA 122.783 2.322 . . . . 10.0 112.294 178.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 8.7 t -57.55 -50.44 77.21 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.32 0 N-CA-C 112.177 0.436 . . . . 10.0 112.177 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 8.1 p -63.74 -35.36 80.31 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.796 -0.361 . . . . 10.0 111.382 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -60.77 -54.04 50.0 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.88 -0.415 . . . . 10.0 109.88 179.114 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -73.24 -28.78 62.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.046 -0.525 . . . . 10.0 111.586 -179.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -66.66 -43.91 83.28 Favored 'General case' 0 CA--C 1.519 -0.228 0 N-CA-C 109.375 -0.602 . . . . 10.0 109.375 178.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 23.2 m0 -65.4 -38.67 90.67 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 108.899 -0.778 . . . . 10.0 108.899 177.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -65.61 -35.38 80.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.453 -0.794 . . . . 10.0 109.597 178.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 24.0 t30 -70.92 -41.91 70.59 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 108.647 -0.872 . . . . 10.0 108.647 178.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 61.6 mt -59.17 -35.69 74.0 Favored 'General case' 0 C--O 1.218 -0.569 0 CA-C-N 115.073 -0.967 . . . . 10.0 110.593 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -62.89 -38.49 91.11 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.325 0.583 . . . . 10.0 109.978 178.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 49.2 mttp -68.26 -34.57 76.44 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.718 -0.674 . . . . 10.0 109.761 179.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -78.91 -44.36 22.83 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.762 -0.653 . . . . 10.0 111.637 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 20.5 p -62.83 -57.2 11.7 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 121.187 -0.205 . . . . 10.0 110.487 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -67.01 -37.23 83.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.32 -0.4 . . . . 10.0 111.242 179.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -61.96 -51.71 55.2 Favored Glycine 0 N--CA 1.451 -0.345 0 N-CA-C 111.101 -0.8 . . . . 10.0 111.101 179.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 92.8 mt -64.87 -24.76 67.63 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 110.143 -0.317 . . . . 10.0 110.143 178.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 68.3 mtt180 -72.4 -28.88 63.26 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 110.374 -0.232 . . . . 10.0 110.374 178.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -68.54 -29.77 68.41 Favored 'General case' 0 CA--C 1.519 -0.224 0 N-CA-C 108.399 -0.963 . . . . 10.0 108.399 178.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -83.01 -46.98 12.21 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 114.563 -1.199 . . . . 10.0 109.253 178.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.17 -43.7 87.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.115 -0.948 . . . . 10.0 112.667 -179.174 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 3.6 p -57.61 -49.0 77.86 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.974 0.416 . . . . 10.0 110.931 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -68.25 -41.05 81.73 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.913 179.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -59.85 -47.02 87.43 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.743 -0.466 . . . . 10.0 109.743 179.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 92.0 mt -67.77 -50.55 56.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.131 -0.486 . . . . 10.0 111.821 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -58.06 -46.81 84.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.717 0.294 . . . . 10.0 111.348 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 447' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -72.28 -31.99 66.22 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.488 -0.324 . . . . 10.0 110.969 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.82 -30.53 50.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 C-N-CA 120.58 -0.448 . . . . 10.0 109.837 179.223 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -63.66 -39.11 93.52 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 108.835 -0.802 . . . . 10.0 108.835 178.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -88.94 9.5 24.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.68 -0.691 . . . . 10.0 110.734 179.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 54.6 mttm -115.83 -39.94 3.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 10.0 111.03 179.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 77.6 t -69.4 -39.26 78.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.557 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -58.68 -57.91 23.19 Favored Pre-proline 0 CA--C 1.534 0.362 0 N-CA-C 112.037 0.384 . . . . 10.0 112.037 179.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -63.99 -28.13 66.31 Favored 'Trans proline' 0 C--N 1.356 0.96 0 C-N-CA 121.757 1.638 . . . . 10.0 110.981 178.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -66.58 -43.93 83.61 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 108.3 -1.0 . . . . 10.0 108.3 178.543 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 71.0 mt -67.5 -42.32 83.06 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-N 115.784 -0.644 . . . . 10.0 109.316 178.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -59.59 -52.88 63.65 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.835 179.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 458' ' ' ASP . . . . . 0.456 ' CG ' ' HZ2' ' D' ' 462' ' ' LYS . 28.5 t70 -62.56 -41.15 98.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.714 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -65.98 -44.74 84.02 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.111 179.157 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -59.41 -41.14 88.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.465 -0.334 . . . . 10.0 110.491 179.028 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 69.4 mttt -62.1 -41.09 97.85 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.54 -0.541 . . . . 10.0 109.54 178.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 462' ' ' LYS . . . . . 0.456 ' HZ2' ' CG ' ' D' ' 458' ' ' ASP . 1.3 mtmm -69.24 -41.61 76.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.472 -0.785 . . . . 10.0 110.372 178.758 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 33.1 m0 -65.03 -37.47 87.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.042 0.448 . . . . 10.0 109.835 178.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -62.05 -44.45 96.66 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.689 -0.856 . . . . 10.0 108.689 178.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 465' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -57.84 -54.55 45.66 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 108.899 -0.778 . . . . 10.0 108.899 178.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -55.2 -49.58 71.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.792 -0.64 . . . . 10.0 111.584 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 71.7 mtm -62.67 -46.06 89.94 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 111.908 0.336 . . . . 10.0 111.908 -179.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -66.12 -33.66 76.28 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.855 0.359 . . . . 10.0 110.362 179.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 469' ' ' LEU . . . . . . . . . . . . . 31.5 mt -70.83 -38.39 73.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 10.0 109.806 178.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 7.1 m-30 -61.04 -36.89 80.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.227 0.536 . . . . 10.0 109.656 178.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 65.1 mtt180 -76.52 -4.19 41.42 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.713 -0.676 . . . . 10.0 111.018 179.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -118.21 -3.77 11.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.975 0.417 . . . . 10.0 110.49 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 473' ' ' LYS . . . . . . . . . . . . . 44.3 mttp -127.42 -65.35 0.94 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.554 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 26.2 t -61.16 -41.16 88.37 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.31 0 CA-C-N 116.378 -0.374 . . . . 10.0 111.738 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -62.11 -56.31 32.56 Favored Pre-proline 0 CA--C 1.535 0.385 0 N-CA-C 111.502 0.186 . . . . 10.0 111.502 179.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -59.52 -38.91 80.02 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 121.745 1.63 . . . . 10.0 110.514 177.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 38.2 mt -65.69 -27.18 68.16 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.167 178.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 16.4 mtt-85 -62.91 -36.88 84.84 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 108.435 -0.95 . . . . 10.0 108.435 178.053 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -76.32 -41.94 46.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.36 -0.836 . . . . 10.0 109.823 178.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.35 -44.04 97.86 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.347 0.594 . . . . 10.0 109.701 178.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 93.2 mt -74.39 -28.27 61.02 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.815 -0.629 . . . . 10.0 110.476 179.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -68.94 -49.23 59.83 Favored 'General case' 0 CA--C 1.521 -0.162 0 N-CA-C 109.475 -0.565 . . . . 10.0 109.475 179.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.83 -41.03 96.06 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 109.401 -0.592 . . . . 10.0 109.401 178.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -63.77 -40.16 98.19 Favored Glycine 0 N--CA 1.449 -0.481 0 N-CA-C 111.007 -0.837 . . . . 10.0 111.007 178.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -68.9 -36.39 77.99 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 110.054 -0.35 . . . . 10.0 110.054 179.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 77.4 mtt180 -65.29 -45.97 82.27 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.12 -0.696 . . . . 10.0 109.12 178.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -64.41 -38.43 91.01 Favored 'General case' 0 C--O 1.224 -0.238 0 N-CA-C 108.805 -0.813 . . . . 10.0 108.805 178.029 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 54.2 tttt -63.35 -42.02 98.89 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.734 -0.666 . . . . 10.0 109.632 178.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 36.1 mt -66.44 -37.06 84.33 Favored 'General case' 0 C--O 1.224 -0.276 0 N-CA-C 109.238 -0.652 . . . . 10.0 109.238 178.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 -65.73 -42.68 90.75 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 108.948 -0.76 . . . . 10.0 108.948 178.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -57.09 -47.2 81.63 Favored 'General case' 0 CA--C 1.521 -0.173 0 N-CA-C 108.365 -0.976 . . . . 10.0 108.365 177.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 59.6 mt -64.15 -43.53 94.92 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 115.392 -0.822 . . . . 10.0 110.556 179.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -55.71 -37.51 68.48 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.968 0.413 . . . . 10.0 110.831 179.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -72.02 0.97 8.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.96 -0.564 . . . . 10.0 111.546 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 495' ' ' LYS . . . . . . . . . . . . . 9.8 mttp -125.66 -28.24 3.29 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.717 178.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 73.9 mt -64.14 -37.9 89.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.008 -0.542 . . . . 10.0 111.357 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 497' ' ' SER . . . . . . . . . . . . . 1.8 m -81.9 -60.61 0.39 Allowed Pre-proline 0 C--N 1.32 -0.703 0 C-N-CA 120.731 -0.387 . . . . 10.0 111.065 178.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 498' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_exo -59.37 -65.4 0.08 OUTLIER 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 122.305 2.004 . . . . 10.0 112.696 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 499' ' ' LEU . . . . . . . . . . . . . 12.4 mt -66.61 -36.09 81.76 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.651 -0.249 . . . . 10.0 111.19 -179.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -58.66 -53.71 43.87 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.84 -0.695 . . . . 10.0 111.785 179.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -69.25 -27.49 65.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.823 0.344 . . . . 10.0 110.545 179.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 502' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -67.64 -42.44 82.26 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 108.678 -0.86 . . . . 10.0 108.678 177.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 87.9 mmm -63.26 -37.2 86.31 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 109.29 -0.633 . . . . 10.0 109.29 178.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 -63.82 -41.44 97.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.791 -0.64 . . . . 10.0 109.541 178.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -63.86 -41.15 97.84 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.505 -0.554 . . . . 10.0 109.505 178.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 506' ' ' ARG . . . . . . . . . . . . . 60.5 mtt180 -61.4 -42.64 99.05 Favored 'General case' 0 CA--C 1.52 -0.202 0 N-CA-C 108.303 -0.999 . . . . 10.0 108.303 177.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -59.82 -41.52 91.48 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.711 -0.677 . . . . 10.0 109.594 178.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 508' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -60.6 -44.86 95.79 Favored 'General case' 0 C--O 1.223 -0.313 0 N-CA-C 109.154 -0.684 . . . . 10.0 109.154 178.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -63.29 -34.9 78.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.849 -0.614 . . . . 10.0 110.678 179.492 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 29.5 m-70 -73.94 -49.88 22.61 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.706 179.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 91.6 t -63.24 -41.43 92.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.363 -0.38 . . . . 10.0 110.001 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -61.62 -39.18 90.33 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 109.344 -0.613 . . . . 10.0 109.344 178.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -62.75 -46.78 86.46 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 108.604 -0.888 . . . . 10.0 108.604 178.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 514' ' ' LEU . . . . . . . . . . . . . 89.1 mt -60.22 -27.27 67.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.613 -0.721 . . . . 10.0 110.994 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 515' ' ' ARG . . . . . . . . . . . . . 74.6 mtt180 -68.06 -21.43 65.0 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.128 0.49 . . . . 10.0 110.534 178.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 4.4 m -111.22 -15.3 13.68 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.679 179.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 35.6 m170 -96.23 -39.62 9.58 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.026 -0.534 . . . . 10.0 111.221 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 88.6 mt -94.85 -54.98 3.26 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.508 0.558 . . . . 10.0 112.508 -178.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 519' ' ' ALA . . . . . . . . . . . . . . . -47.96 -59.78 5.29 Favored Pre-proline 0 N--CA 1.47 0.532 0 N-CA-C 114.02 1.118 . . . . 10.0 114.02 -178.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 520' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -63.54 -35.26 60.76 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 121.863 1.709 . . . . 10.0 111.478 179.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -66.41 -38.16 86.83 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.498 -0.319 . . . . 10.0 110.265 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 20.7 m -62.01 -34.27 75.89 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.375 -0.602 . . . . 10.0 109.375 178.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.91 -41.23 87.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.788 -0.642 . . . . 10.0 109.64 179.002 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -68.83 -37.23 79.03 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.465 -0.788 . . . . 10.0 109.372 178.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 20.1 mt -63.6 -35.94 82.16 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.692 -0.685 . . . . 10.0 109.468 178.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 526' ' ' ARG . . . . . . . . . . . . . 76.7 mtt180 -62.69 -38.88 92.12 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-N 115.916 -0.584 . . . . 10.0 109.701 178.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -67.79 -42.92 80.89 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-N 116.114 -0.493 . . . . 10.0 109.699 179.27 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 528' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -65.09 -44.46 88.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.635 -0.711 . . . . 10.0 109.279 179.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 17.9 mt -65.83 -31.14 71.94 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.504 178.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -64.56 -46.89 80.85 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.112 -0.699 . . . . 10.0 109.112 178.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -67.77 -40.85 83.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.794 -0.639 . . . . 10.0 109.575 178.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 22.3 ttm180 -60.67 -48.66 80.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.352 -0.84 . . . . 10.0 109.791 179.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 27.9 mt -65.8 -34.57 78.47 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.462 179.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -61.4 -46.09 91.58 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 108.853 -0.795 . . . . 10.0 108.853 178.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -65.4 -42.07 92.97 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.766 -0.652 . . . . 10.0 109.837 178.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 90.8 mt -65.63 -27.4 68.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.966 -0.561 . . . . 10.0 111.01 179.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -79.91 -45.91 17.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.44 -0.345 . . . . 10.0 110.141 178.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -63.13 -44.74 94.75 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.441 -0.577 . . . . 10.0 109.441 179.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -71.53 -31.26 66.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.352 -0.84 . . . . 10.0 109.2 178.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -65.2 -50.7 55.42 Favored Glycine 0 N--CA 1.446 -0.693 0 N-CA-C 111.092 -0.803 . . . . 10.0 111.092 179.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -63.18 -36.58 93.63 Favored Glycine 0 N--CA 1.445 -0.708 0 N-CA-C 110.98 -0.848 . . . . 10.0 110.98 178.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -65.03 -48.86 72.37 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 109.183 -0.673 . . . . 10.0 109.183 178.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 50.1 mtt85 -63.42 -37.97 89.34 Favored 'General case' 0 C--O 1.218 -0.585 0 CA-C-N 115.859 -0.61 . . . . 10.0 110.864 179.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 33.1 mt -59.49 -41.33 89.59 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 109.394 -0.595 . . . . 10.0 109.394 178.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -67.33 -41.12 85.77 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.172 -0.922 . . . . 10.0 109.218 178.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -64.49 -45.47 87.16 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 115.943 -0.571 . . . . 10.0 109.943 178.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -59.43 -44.65 92.87 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 115.934 -0.575 . . . . 10.0 109.618 178.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.73 -41.25 96.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.57 179.646 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -64.64 -51.1 64.35 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.624 -0.51 . . . . 10.0 109.624 178.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.89 -31.4 72.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.854 179.698 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -66.25 -44.55 83.36 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.059 -0.719 . . . . 10.0 109.059 178.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 10.1 m -64.51 -43.42 94.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.857 -0.61 . . . . 10.0 109.575 178.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -62.74 -49.26 75.74 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.094 179.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 17.4 t60 -61.46 -39.47 90.99 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.119 179.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 61.4 tp -62.46 -36.9 83.92 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.664 -0.495 . . . . 10.0 109.664 178.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 35.3 m -66.38 -46.09 77.85 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.609 -0.723 . . . . 10.0 109.754 178.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 2.5 p -70.76 -25.51 62.94 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.017 0.437 . . . . 10.0 110.619 179.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 4.2 mt -67.27 -55.44 13.92 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 115.804 -0.635 . . . . 10.0 109.898 179.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 2.5 p -66.04 -35.99 82.04 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.255 -0.43 . . . . 10.0 110.626 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.41 -26.35 68.44 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.889 179.334 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.71 -42.87 7.03 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.213 -0.448 . . . . 10.0 111.253 179.704 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -56.91 -45.32 82.74 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.912 -0.586 . . . . 10.0 112.299 -179.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -53.3 -64.29 1.8 Allowed Pre-proline 0 CA--C 1.539 0.526 0 N-CA-C 112.908 0.707 . . . . 10.0 112.908 -179.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -64.14 -38.57 35.64 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 121.66 1.573 . . . . 10.0 112.145 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -61.92 -53.09 60.58 Favored 'General case' 0 CA--C 1.522 -0.121 0 CA-C-O 120.64 0.257 . . . . 10.0 111.5 -179.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 77.4 mt -63.25 -42.21 99.16 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.564 -0.289 . . . . 10.0 111.22 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -61.82 -47.9 83.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.502 -0.317 . . . . 10.0 110.243 178.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -65.32 -38.54 90.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.093 0.473 . . . . 10.0 110.236 179.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 18.8 mt -59.57 -48.78 80.31 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-N 115.71 -0.677 . . . . 10.0 110.059 178.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 56.6 mtt180 -64.08 -37.9 89.11 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.015 0.436 . . . . 10.0 109.966 179.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -66.54 -14.08 61.84 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.598 -0.728 . . . . 10.0 110.491 178.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -105.83 -31.97 4.01 Favored Glycine 0 N--CA 1.444 -0.827 0 N-CA-C 110.696 -0.961 . . . . 10.0 110.696 178.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 65.6 mt -64.06 -45.23 89.71 Favored 'General case' 0 C--O 1.225 -0.214 0 C-N-CA 122.571 0.348 . . . . 10.0 111.562 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 46.1 mt -56.54 -59.77 11.21 Favored Pre-proline 0 CA--C 1.536 0.437 0 N-CA-C 112.044 0.386 . . . . 10.0 112.044 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -63.39 -34.52 65.84 Favored 'Trans proline' 0 C--N 1.356 0.956 0 C-N-CA 121.751 1.634 . . . . 10.0 112.045 178.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -66.58 -36.89 78.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.707 0.289 . . . . 10.0 110.491 179.463 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 52.0 mt -66.85 -40.08 87.79 Favored 'General case' 0 CA--C 1.521 -0.146 0 N-CA-C 109.444 -0.576 . . . . 10.0 109.444 178.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -65.64 -37.74 87.41 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.935 -0.575 . . . . 10.0 109.811 178.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 46.6 m -68.81 -39.73 79.91 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.756 -0.656 . . . . 10.0 109.52 178.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -64.89 -40.71 95.53 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.145 178.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -56.68 -45.34 81.8 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.513 179.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 90.8 t -60.51 -49.7 83.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.362 -0.381 . . . . 10.0 111.119 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 1.3 p -66.32 -42.22 88.54 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.637 -0.256 . . . . 10.0 111.624 -179.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -65.29 -46.5 80.18 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.871 0.323 . . . . 10.0 111.871 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 67.2 mt -62.8 -42.79 99.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.585 -0.28 . . . . 10.0 110.508 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 16.2 m -67.25 -30.86 70.87 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.179 0.514 . . . . 10.0 110.196 179.138 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -72.27 -57.31 4.32 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.468 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 87.9 mt -59.42 -41.38 89.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.124 -0.489 . . . . 10.0 111.905 -179.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -60.84 -47.96 83.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.91 0.385 . . . . 10.0 110.303 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -68.95 -32.36 71.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.374 -0.376 . . . . 10.0 110.731 179.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -62.95 -36.99 85.3 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.704 -0.48 . . . . 10.0 109.704 178.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 7.0 m -66.07 -24.65 66.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.978 -0.556 . . . . 10.0 110.823 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -81.66 -40.37 22.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.164 179.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 10.8 mptt -73.21 -40.16 64.95 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.646 -0.706 . . . . 10.0 110.755 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 57.9 mt -93.37 36.93 1.05 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.264 -0.426 . . . . 10.0 110.561 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 . . . . . 0 C--N 1.323 -0.569 0 CA-C-N 116.397 -0.365 . . . . 10.0 111.331 -179.737 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.535 0.372 0 CA-C-O 120.925 0.393 . . . . 10.0 111.299 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 2.1 m -77.43 142.48 39.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.857 -179.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -93.23 139.05 31.04 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.321 -0.399 . . . . 10.0 109.983 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -130.7 111.03 11.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.76 0.314 . . . . 10.0 111.332 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -79.79 110.64 15.33 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.478 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -112.65 116.4 30.09 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.867 -178.724 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 22.8 t -102.36 129.79 53.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.486 -0.325 . . . . 10.0 110.204 179.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 14.9 t -92.77 116.48 34.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 120.927 0.394 . . . . 10.0 111.248 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 11.3 m -111.97 149.95 14.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.878 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 150.14 163.33 11.09 Favored Glycine 0 N--CA 1.444 -0.827 0 N-CA-C 110.757 -0.937 . . . . 10.0 110.757 -179.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.14 155.97 39.48 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.914 0.387 . . . . 10.0 111.178 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.1 135.06 41.19 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.084 0.468 . . . . 10.0 110.619 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 114.73 -20.27 15.27 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.522 -0.847 . . . . 10.0 111.791 -179.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 10.7 m -73.3 -16.21 17.4 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 CA-C-O 120.803 0.335 . . . . 10.0 111.665 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 91.54 42.7 4.76 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.822 -0.704 . . . . 10.0 113.561 179.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 46.3 mtmt -66.2 -39.66 89.83 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.868 -0.419 . . . . 10.0 109.868 179.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' SER . . . . . 0.412 ' OG ' ' O2B' ' B' ' 201' ' ' GSP . 6.3 m -76.27 -34.57 59.12 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.242 -0.436 . . . . 10.0 110.906 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.49 -42.43 82.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.29 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 30.3 mt -64.01 -46.39 84.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.666 -0.697 . . . . 10.0 110.534 179.24 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 3.0 m -63.54 -44.15 95.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.016 -0.538 . . . . 10.0 111.469 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 97.8 mt -62.62 -37.07 78.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.965 0.412 . . . . 10.0 110.566 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -68.02 -26.0 65.67 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.251 0.548 . . . . 10.0 110.481 178.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 36.5 tp -88.63 -38.93 14.43 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.077 -0.511 . . . . 10.0 111.474 -179.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 46.2 mm -84.23 -61.1 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 112.137 0.421 . . . . 10.0 112.137 -178.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -82.41 -14.56 54.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.72 0.295 . . . . 10.0 111.697 -179.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 32.4 m-80 70.91 30.1 2.9 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 113.355 0.872 . . . . 10.0 113.355 178.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 35.4 p80 -149.76 160.92 43.16 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.878 0.371 . . . . 10.0 111.803 178.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -97.26 142.97 28.5 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.833 -0.621 . . . . 10.0 110.673 -179.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 12.8 m -114.24 137.09 48.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 120.866 0.365 . . . . 10.0 110.914 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -90.26 -26.63 19.95 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.004 -0.543 . . . . 10.0 109.835 179.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -75.46 118.14 18.01 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.614 -0.721 . . . . 10.0 111.496 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -73.89 134.23 43.22 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.817 -0.438 . . . . 10.0 109.817 179.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -127.42 120.92 22.24 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-O 120.928 0.394 . . . . 10.0 111.132 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -76.83 72.35 5.78 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 123.105 2.537 . . . . 10.0 112.156 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.21 128.88 38.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.112 -0.495 . . . . 10.0 111.577 179.774 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 50.4 mm -91.35 -44.59 14.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.586 -0.524 . . . . 10.0 109.586 179.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -168.21 107.38 0.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.751 -0.659 . . . . 10.0 110.666 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -133.95 137.36 44.81 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.305 -0.407 . . . . 10.0 110.186 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 8.5 p -110.83 143.53 41.25 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.194 0.521 . . . . 10.0 111.421 -179.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -135.97 141.54 44.44 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.457 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -113.38 140.45 48.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.816 0.341 . . . . 10.0 111.331 -179.729 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 53.8 tttp -147.14 134.66 20.89 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.325 179.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -112.5 111.91 23.08 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.869 -0.419 . . . . 10.0 109.869 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 2.9 m -132.65 161.09 42.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.123 -0.489 . . . . 10.0 111.166 -179.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 27.9 t -96.36 103.87 15.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.036 179.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 39.8 mt -112.15 121.15 64.02 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 N-CA-C 109.469 -0.567 . . . . 10.0 109.469 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 62.11 16.52 8.33 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.184 0.516 . . . . 10.0 111.794 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 100.39 -6.96 57.95 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.912 -0.661 . . . . 10.0 112.265 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.427 ' CD ' ' HG ' ' B' ' 51' ' ' CYS . 0.7 OUTLIER -102.84 130.7 49.94 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.79 0.329 . . . . 10.0 110.46 -179.62 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.46 68.98 9.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.445 179.33 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . 0.427 ' HG ' ' CD ' ' B' ' 49' ' ' GLU . 4.3 m -69.49 149.87 47.81 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.706 -0.679 . . . . 10.0 112.552 -178.739 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 45.0 tp -105.1 114.08 28.05 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.416 -0.811 . . . . 10.0 109.033 178.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 25.6 mt -83.2 126.92 33.15 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.113 -0.494 . . . . 10.0 111.691 -178.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -113.64 79.4 1.24 Allowed 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 107.98 -1.118 . . . . 10.0 107.98 178.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 3.8 mt -80.99 148.24 5.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.919 -0.582 . . . . 10.0 111.949 -177.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 18.4 tp -145.57 118.27 8.64 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.899 -0.591 . . . . 10.0 110.927 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -91.69 125.46 36.42 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 109.335 -0.617 . . . . 10.0 109.335 178.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 26.0 p -108.09 151.88 25.28 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.476 -0.329 . . . . 10.0 111.199 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.27 110.35 5.86 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.536 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -91.69 44.93 2.72 Favored Glycine 0 N--CA 1.453 -0.211 0 N-CA-C 111.597 -0.601 . . . . 10.0 111.597 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -106.0 28.21 7.83 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.431 -0.385 . . . . 10.0 110.371 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 66.61 -175.06 0.19 Allowed 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.761 -0.654 . . . . 10.0 111.29 -179.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 60.84 -149.13 0.42 Allowed 'General case' 0 C--O 1.234 0.284 0 N-CA-C 109.344 -0.613 . . . . 10.0 109.344 -178.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 53.28 40.89 31.98 Favored 'General case' 0 C--O 1.234 0.273 0 O-C-N 123.112 0.258 . . . . 10.0 111.496 179.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.6 -43.1 79.8 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 115.948 -0.569 . . . . 10.0 111.564 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.77 -39.84 63.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.807 0.337 . . . . 10.0 110.526 179.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -46.01 92.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.121 -0.491 . . . . 10.0 110.8 179.749 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -62.65 -41.73 99.21 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 115.6 -0.727 . . . . 10.0 111.057 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.9 -13.26 59.33 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.9 -0.591 . . . . 10.0 112.218 -179.591 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -93.28 -60.39 1.8 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 111.853 0.316 . . . . 10.0 111.853 -179.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -60.29 -25.84 66.04 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 113.328 0.862 . . . . 10.0 113.328 -178.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 43.7 mtt -68.87 -28.96 67.17 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.036 0.446 . . . . 10.0 111.659 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 14.7 mtm180 -76.78 -32.01 57.41 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 116.514 -0.312 . . . . 10.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.07 -29.68 26.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.956 0.407 . . . . 10.0 110.877 179.595 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.29 128.18 35.9 Favored Glycine 0 C--N 1.334 0.422 0 CA-C-N 115.791 -0.641 . . . . 10.0 112.858 -179.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -95.71 -29.23 14.39 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.569 -0.53 . . . . 10.0 109.569 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -135.69 142.02 13.27 Favored Glycine 0 N--CA 1.448 -0.534 0 N-CA-C 110.216 -1.154 . . . . 10.0 110.216 178.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -122.54 132.15 54.18 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 117.535 0.668 . . . . 10.0 112.096 -179.161 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 19.0 tp -99.46 94.07 6.22 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.309 -0.86 . . . . 10.0 109.732 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 3.0 m -79.11 101.81 8.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.933 -0.576 . . . . 10.0 109.721 179.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 44.0 t -113.96 134.17 57.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.914 -0.585 . . . . 10.0 111.541 -179.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 25.7 p90 -134.66 167.65 20.43 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 115.487 -0.778 . . . . 10.0 109.318 178.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -105.93 128.41 53.78 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.313 -0.403 . . . . 10.0 109.96 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 33.8 pt -68.03 -14.08 17.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.868 -179.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 19.8 p-10 -101.97 3.24 38.75 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.321 179.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -131.27 96.36 4.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.252 -0.431 . . . . 10.0 110.179 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.5 -31.59 68.01 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.852 -0.613 . . . . 10.0 112.501 -179.233 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -57.92 -48.11 80.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 10.0 111.792 -179.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 78.9 p -62.44 -33.84 75.62 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.639 0.257 . . . . 10.0 111.687 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -65.34 -39.73 92.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.152 0.501 . . . . 10.0 110.238 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -75.72 -33.4 60.3 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.431 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.45 -22.39 66.95 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.153 179.658 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 25.4 mm -58.03 -36.28 55.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.096 -0.502 . . . . 10.0 109.721 178.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 28.8 t60 -64.46 -41.03 96.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.443 -0.799 . . . . 10.0 110.208 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 64.4 m-70 -66.52 -41.03 89.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.838 -179.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -66.06 -46.08 79.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.016 -0.538 . . . . 10.0 111.356 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 26.6 ttt180 -56.52 -48.11 77.93 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.012 -0.54 . . . . 10.0 111.944 -179.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -65.68 -39.18 91.04 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.195 -0.457 . . . . 10.0 111.378 -179.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -65.63 -49.47 68.56 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.997 -0.281 . . . . 10.0 110.883 179.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 96.8 mt -54.95 -47.05 76.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-O 121.098 0.475 . . . . 10.0 111.319 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 19.1 mtmt -64.51 -37.06 86.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.772 -0.649 . . . . 10.0 111.474 -179.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? -71.81 -39.06 70.08 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.277 -0.42 . . . . 10.0 111.061 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 69.1 t -66.92 -47.74 81.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.999 -0.546 . . . . 10.0 111.347 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -83.17 -12.53 56.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.626 -0.261 . . . . 10.0 111.523 -179.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 25.9 t0 57.79 57.29 4.27 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.642 0.734 . . . . 10.0 110.457 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 6.1 t -156.74 179.1 9.61 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.492 -0.776 . . . . 10.0 110.123 -179.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -131.26 -34.69 1.4 Allowed 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.856 0.36 . . . . 10.0 111.156 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -85.89 57.42 4.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.247 0.546 . . . . 10.0 111.55 -179.214 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 46.7 t -94.89 119.9 65.31 Favored Pre-proline 0 C--N 1.323 -0.552 0 N-CA-C 109.583 -0.525 . . . . 10.0 109.583 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -61.95 114.93 2.51 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 123.339 2.693 . . . . 10.0 112.469 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 55.4 mtm -148.34 154.7 40.33 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.983 -0.553 . . . . 10.0 109.939 -179.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 47.8 t -133.63 139.87 47.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.714 -0.476 . . . . 10.0 109.714 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 24.8 tp -95.83 120.82 36.77 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.252 -0.647 . . . . 10.0 109.252 179.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 2.3 t -124.49 138.4 54.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 120.828 0.347 . . . . 10.0 111.269 -179.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -106.96 135.78 12.96 Favored Glycine 0 N--CA 1.449 -0.442 0 N-CA-C 110.877 -0.889 . . . . 10.0 110.877 179.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 116' ' ' ASN . . . . . 0.41 ' ND2' ' N7 ' ' B' ' 201' ' ' GSP . 59.8 t30 -111.25 161.66 15.78 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 117.185 0.493 . . . . 10.0 110.667 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 80.5 mttt 63.13 34.85 13.29 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.033 -0.53 . . . . 10.0 111.23 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 71.2 m -74.13 0.1 14.96 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.195 -0.457 . . . . 10.0 111.524 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -95.83 -2.47 47.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.087 179.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 21.2 mt -80.52 131.49 61.27 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 115.838 -0.619 . . . . 10.0 110.772 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -69.69 149.28 67.11 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.369 2.046 . . . . 10.0 111.47 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 2.6 m 61.41 80.81 0.21 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.234 0.54 . . . . 10.0 111.79 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 -88.09 153.26 21.41 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.767 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 13.1 m -95.0 -39.75 10.01 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.154 -0.476 . . . . 10.0 110.42 179.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 60.8 t -98.68 120.03 47.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.384 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.03 154.72 29.24 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.057 -0.52 . . . . 10.0 110.694 179.556 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -62.24 -39.8 94.06 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.165 -0.47 . . . . 10.0 112.249 -178.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 4.0 mptt -59.18 -56.44 22.13 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.422 -179.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -60.09 -37.96 81.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.662 0.268 . . . . 10.0 111.656 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.59 -44.16 74.96 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.092 0.473 . . . . 10.0 110.517 179.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -70.98 -35.52 72.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.974 -0.557 . . . . 10.0 111.456 179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -62.43 -44.56 96.12 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.328 0.585 . . . . 10.0 109.708 178.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 13.2 tp -60.11 -49.53 77.27 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.517 -0.765 . . . . 10.0 109.66 178.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.78 -39.81 95.16 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.794 179.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -38.81 90.9 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.977 -0.556 . . . . 10.0 110.881 179.795 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 15.5 m -69.67 -20.36 63.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.057 -0.52 . . . . 10.0 110.786 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 21.0 m-30 -89.73 -26.03 20.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.024 179.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 95.14 21.47 25.13 Favored Glycine 0 N--CA 1.448 -0.554 0 CA-C-N 115.534 -0.757 . . . . 10.0 111.786 -179.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 44.8 pt -120.46 153.84 56.4 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-O 120.482 0.182 . . . . 10.0 110.762 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -80.92 159.6 21.1 Favored 'Trans proline' 0 C--O 1.234 0.301 0 C-N-CA 122.661 2.24 . . . . 10.0 112.231 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -128.7 130.51 47.26 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.056 -0.52 . . . . 10.0 109.831 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 24.0 mt -125.94 132.93 70.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.901 0.381 . . . . 10.0 111.308 -179.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -91.75 120.37 32.43 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.451 -0.944 . . . . 10.0 108.451 178.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 32.0 p -127.93 173.51 9.95 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.604 0.716 . . . . 10.0 112.83 -177.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 7.0 t -155.53 110.79 3.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.209 -0.905 . . . . 10.0 109.15 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -17.66 61.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.863 0.363 . . . . 10.0 110.453 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 55.4 tttt -60.05 -42.28 94.12 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.476 -0.783 . . . . 10.0 111.973 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.23 22.81 6.54 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.535 0.198 . . . . 10.0 111.535 -179.455 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 53.24 50.62 17.24 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.384 0.611 . . . . 10.0 111.43 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -82.17 89.45 6.5 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.42 -0.809 . . . . 10.0 111.377 -178.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 58.97 33.73 75.41 Favored Glycine 0 C--N 1.332 0.358 0 CA-C-N 116.117 -0.492 . . . . 10.0 114.137 178.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 22.8 t -67.02 -42.71 88.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.109 0.48 . . . . 10.0 110.758 -179.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.93 -34.39 78.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.936 -0.575 . . . . 10.0 111.679 -179.468 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -56.79 -46.35 81.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.206 -179.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.69 -40.91 96.67 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.89 -179.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -66.45 -45.62 79.17 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.599 -0.728 . . . . 10.0 111.648 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 18.1 m-30 -62.39 -40.69 97.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.096 0.474 . . . . 10.0 110.319 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 93.0 m -61.73 -36.68 81.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.763 -0.653 . . . . 10.0 111.775 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 40.0 tp -65.77 -44.81 84.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.176 -0.465 . . . . 10.0 110.645 179.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 57.5 t -65.63 -40.39 87.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.193 0.52 . . . . 10.0 110.485 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 28.2 ttp-105 -61.42 -31.89 71.83 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.46 -0.791 . . . . 10.0 111.394 179.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -66.69 -50.76 61.8 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.347 -0.388 . . . . 10.0 110.962 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 14.9 mt -59.71 -29.54 43.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.509 -0.769 . . . . 10.0 112.194 -179.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 3.0 mtt85 -66.27 -17.72 64.92 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.119 0.414 . . . . 10.0 112.119 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -89.34 2.79 53.9 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.114 0.413 . . . . 10.0 112.114 -179.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 24.7 t-80 -64.53 -44.9 89.38 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.928 0.394 . . . . 10.0 110.481 179.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 41.9 pttt -88.11 28.1 1.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.839 -0.619 . . . . 10.0 111.157 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -143.49 -70.7 0.31 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.293 -0.412 . . . . 10.0 111.31 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 28.0 mtpt -63.35 -38.0 89.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 10.0 111.8 -178.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 51.7 ttm -80.08 -24.46 40.6 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.035 0.445 . . . . 10.0 111.878 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 6.4 m -70.64 -34.75 72.4 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.301 -0.629 . . . . 10.0 109.301 178.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 46.8 mtpt -71.91 -48.19 47.23 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.53 -0.759 . . . . 10.0 109.093 178.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 173' ' ' ASP . . . . . . . . . . . . . 6.8 t0 69.85 -44.62 0.56 Allowed 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.294 -0.866 . . . . 10.0 112.51 179.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . 135.97 -41.42 1.43 Allowed Glycine 0 N--CA 1.449 -0.465 0 N-CA-C 109.484 -1.446 . . . . 10.0 109.484 -179.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 175' ' ' LYS . . . . . . . . . . . . . 12.6 mmmt -151.56 -161.29 1.29 Allowed 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 107.682 -1.229 . . . . 10.0 107.682 179.028 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 176' ' ' LYS . . . . . . . . . . . . . 24.8 ttpt 69.39 -64.46 0.34 Allowed 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 113.177 0.806 . . . . 10.0 113.177 178.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 177' ' ' LYS . . . . . . . . . . . . . 52.0 mmtt -114.55 -48.6 2.86 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 111.901 0.334 . . . . 10.0 111.901 -179.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? 68.45 -168.96 0.19 Allowed 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.959 -179.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 179' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -85.84 -55.25 4.05 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.07 0.462 . . . . 10.0 110.729 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -94.98 109.83 21.8 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.162 -0.472 . . . . 10.0 111.425 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 42.7 m -77.46 -45.2 26.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.072 -0.513 . . . . 10.0 109.626 178.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 182' ' ' LYS . . . . . 0.438 ' HZ2' ' C3 ' ' A' ' 416' ' ' 17F . 83.7 tttt -90.82 124.02 34.82 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.98 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 14.6 t -145.3 17.88 1.54 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.195 0.522 . . . . 10.0 110.023 179.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 184' ' ' LYS . . . . . 0.409 ' NZ ' ' O11' ' B' ' 204' ' ' PCW . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.404 0 CA-C-N 115.811 -0.632 . . . . 10.0 110.724 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.454 -0.227 0 CA-C-O 120.884 0.373 . . . . 10.0 110.865 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 4.2 m -77.05 124.88 28.43 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.314 -0.403 . . . . 10.0 110.71 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -89.59 128.83 36.09 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.991 -0.55 . . . . 10.0 110.007 179.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -117.99 125.47 50.45 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.992 -0.373 . . . . 10.0 109.992 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -95.1 111.66 23.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.388 -0.369 . . . . 10.0 110.569 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -123.61 131.28 53.58 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.143 -0.48 . . . . 10.0 111.938 -179.396 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 20.4 t -114.36 132.37 63.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.354 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 10.1 t -96.55 122.22 47.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.552 -0.536 . . . . 10.0 109.552 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 11.5 m -123.04 157.38 28.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.41 -179.369 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 152.14 176.31 24.68 Favored Glycine 0 N--CA 1.451 -0.33 0 N-CA-C 111.289 -0.724 . . . . 10.0 111.289 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.74 174.91 4.63 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.946 0.373 . . . . 10.0 111.344 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.65 145.53 27.94 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.983 0.42 . . . . 10.0 111.337 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 74.62 18.35 80.0 Favored Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 115.439 -0.801 . . . . 10.0 113.944 179.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 30.5 m -87.36 -29.73 5.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 117.456 0.628 . . . . 10.0 112.299 -179.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 116.09 18.11 6.04 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.684 -0.77 . . . . 10.0 113.195 179.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -57.94 -46.41 85.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.14 0.495 . . . . 10.0 111.33 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 17' ' ' SER . . . . . 0.418 ' OG ' ' O3G' ' C' ' 201' ' ' GSP . 14.9 m -76.56 -35.12 58.4 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.998 -178.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.19 -47.33 86.42 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.931 0.396 . . . . 10.0 110.72 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 71.3 mt -61.57 -45.72 92.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.923 -0.58 . . . . 10.0 111.141 179.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 8.1 m -63.26 -40.56 97.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.085 0.469 . . . . 10.0 111.639 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 71.3 mt -65.81 -29.95 48.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.508 179.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -69.36 -17.2 63.67 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.338 -0.392 . . . . 10.0 111.39 179.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 20.7 tp -94.68 -37.05 11.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.96 0.409 . . . . 10.0 110.708 179.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 36.6 mm -83.91 -72.31 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.472 -0.331 . . . . 10.0 111.217 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -76.11 -21.49 56.6 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.117 -0.492 . . . . 10.0 111.385 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 32.7 m-80 68.67 34.68 3.37 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 113.403 0.89 . . . . 10.0 113.403 178.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 3.8 p80 -140.11 156.49 46.54 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.468 -0.333 . . . . 10.0 110.117 178.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -97.31 118.13 33.09 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.028 0.442 . . . . 10.0 111.413 -179.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -78.84 103.82 6.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 109.359 -0.608 . . . . 10.0 109.359 178.788 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -74.27 -16.53 60.94 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.208 0.528 . . . . 10.0 110.966 -179.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.89 142.76 27.1 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.386 -0.825 . . . . 10.0 109.08 178.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -93.96 112.01 23.79 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 112.285 0.476 . . . . 10.0 112.285 -179.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -114.58 108.97 48.64 Favored Pre-proline 0 C--N 1.326 -0.423 0 N-CA-C 109.011 -0.737 . . . . 10.0 109.011 178.033 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -62.74 85.02 0.11 Allowed 'Trans proline' 0 CA--C 1.528 0.213 0 C-N-CA 123.137 2.558 . . . . 10.0 113.147 -179.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.75 106.97 6.55 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.509 -0.552 . . . . 10.0 109.509 178.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 49.0 mm -64.5 -52.11 59.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 CA-C-N 116.029 -0.532 . . . . 10.0 111.319 -179.127 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -155.56 98.16 1.93 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.882 -0.599 . . . . 10.0 109.387 -179.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -123.05 139.56 53.94 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.283 -0.417 . . . . 10.0 111.032 -179.072 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.53 140.78 48.85 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.911 0.386 . . . . 10.0 111.623 -179.259 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -127.18 141.86 51.64 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.953 -0.567 . . . . 10.0 109.584 -179.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -118.87 122.74 43.02 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.909 -0.404 . . . . 10.0 109.909 179.493 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 47.1 tptt -132.4 123.22 26.31 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 121.18 -0.208 . . . . 10.0 111.122 -179.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -102.22 104.98 15.58 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.673 -0.491 . . . . 10.0 109.673 179.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 3.1 m -132.95 164.0 36.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.879 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 23.7 t -96.7 111.68 27.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.035 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 75.6 mt -113.58 119.1 60.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.934 -179.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 60.05 28.79 18.37 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.719 -0.673 . . . . 10.0 112.485 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.88 -14.93 63.98 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.753 -0.737 . . . . 10.0 113.652 179.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -104.51 137.65 42.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 122.438 -0.449 . . . . 10.0 111.324 -179.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 1.1 m -78.54 122.21 25.59 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.691 -0.855 . . . . 10.0 108.691 178.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 3.8 m -119.01 143.73 46.91 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 113.111 0.782 . . . . 10.0 113.111 -177.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 59.5 tp -105.84 99.49 9.09 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 107.199 -1.408 . . . . 10.0 107.199 177.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 22.5 mt -80.09 119.39 22.82 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 113.071 0.767 . . . . 10.0 113.071 -177.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -103.18 86.09 2.62 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.319 -1.363 . . . . 10.0 107.319 177.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 5.6 mt -85.88 135.43 25.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.4 -0.818 . . . . 10.0 111.449 -177.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 43.5 tp -125.86 111.76 15.2 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.669 179.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -94.8 118.08 31.18 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.455 -0.793 . . . . 10.0 109.462 179.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 69.8 p -108.11 147.29 31.44 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.478 -179.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.12 139.15 57.5 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.839 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -98.53 29.49 11.41 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.802 -0.713 . . . . 10.0 112.022 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -82.74 0.09 45.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.463 0.173 . . . . 10.0 111.073 -179.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 62' ' ' GLU . . . . . 0.413 ' C ' ' H ' ' C' ' 64' ' ' TYR . 31.9 mm-40 65.29 -162.65 0.26 Allowed 'General case' 0 C--O 1.235 0.32 0 N-CA-C 112.538 0.569 . . . . 10.0 112.538 -179.433 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 77.89 -28.71 0.16 Allowed 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.345 0.658 . . . . 10.0 111.579 -178.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 64' ' ' TYR . . . . . 0.413 ' H ' ' C ' ' C' ' 62' ' ' GLU . 11.2 m-85 -76.06 79.18 2.9 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.936 -179.753 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.45 -74.36 0.26 Allowed 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.214 0.53 . . . . 10.0 110.55 179.686 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -72.64 -25.84 61.43 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.227 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 24.6 ttt -64.14 -25.32 68.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.758 -0.655 . . . . 10.0 110.501 179.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 68' ' ' ARG . . . . . . . . . . . . . 1.4 tpp180 -73.41 -38.55 65.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.608 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.07 -35.89 69.9 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.233 -0.439 . . . . 10.0 111.89 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -50.49 -48.93 56.63 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.828 -0.624 . . . . 10.0 112.399 -179.293 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 71' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -95.58 -10.64 29.01 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.41 0.522 . . . . 10.0 112.41 -179.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 22.2 mtt -76.03 -33.82 59.66 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.804 0.335 . . . . 10.0 111.17 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 25.8 mtm180 -73.88 -35.45 64.72 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.891 0.377 . . . . 10.0 111.226 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -75.0 -45.32 42.76 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.913 -0.585 . . . . 10.0 112.54 -179.126 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -63.42 146.0 50.19 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.773 -0.727 . . . . 10.0 113.141 -179.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -100.22 -51.49 3.64 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.109 0.481 . . . . 10.0 110.003 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -105.92 137.81 13.99 Favored Glycine 0 N--CA 1.448 -0.544 0 CA-C-N 115.593 -0.73 . . . . 10.0 111.353 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 78' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -114.37 125.26 53.66 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.341 0.591 . . . . 10.0 112.145 -179.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 12.4 tp -102.38 104.56 15.05 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.369 -0.832 . . . . 10.0 109.853 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 72.6 m -90.54 104.89 17.42 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.378 -0.374 . . . . 10.0 110.087 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 94.8 t -104.89 119.84 54.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.813 -0.63 . . . . 10.0 110.721 -179.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 36.5 p90 -123.48 163.75 20.28 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.476 -0.784 . . . . 10.0 109.459 178.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -100.85 131.74 46.59 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 120.807 0.337 . . . . 10.0 110.306 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 84' ' ' ILE . . . . . . . . . . . . . 14.7 pt -67.1 -14.7 18.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.321 -0.4 . . . . 10.0 112.047 -179.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 28.8 p-10 -102.68 0.65 33.43 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.96 0.41 . . . . 10.0 110.429 179.41 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 44.3 t-20 -122.33 94.83 4.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.359 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -62.07 -32.57 73.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.859 -0.61 . . . . 10.0 111.799 -179.422 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -60.96 -42.77 98.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.86 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 98.4 p -69.0 -30.09 68.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.431 -0.35 . . . . 10.0 111.031 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -66.15 -48.59 70.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.548 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -72.6 -19.4 61.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.937 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.67 -22.56 60.9 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.362 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 47.6 mm -60.26 -32.52 50.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.222 -0.445 . . . . 10.0 109.817 179.212 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 64.1 t60 -61.38 -47.3 86.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.907 -0.588 . . . . 10.0 109.874 179.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 81.6 m-70 -64.3 -32.4 73.98 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.824 -0.625 . . . . 10.0 110.631 -179.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -71.08 -49.63 42.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.239 179.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -58.46 -43.05 88.7 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.642 179.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -66.02 -35.95 81.95 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.998 -0.546 . . . . 10.0 111.551 179.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -67.74 -45.05 76.08 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.814 0.34 . . . . 10.0 110.203 179.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 80.5 mt -56.26 -49.94 73.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 115.672 -0.694 . . . . 10.0 111.193 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 36.5 mtmt -59.5 -35.54 74.35 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.297 0.48 . . . . 10.0 112.297 -179.293 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 9.0 tmm_? -76.42 -41.69 46.81 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.067 0.46 . . . . 10.0 110.793 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 44.5 t -68.45 -42.75 84.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 112.801 0.667 . . . . 10.0 112.801 -178.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -93.95 -15.62 24.74 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.984 0.735 . . . . 10.0 112.984 -178.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 26.3 t70 61.58 58.62 2.01 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.412 0.625 . . . . 10.0 111.794 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 69.3 m -159.54 140.76 12.75 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.337 -0.392 . . . . 10.0 111.462 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -84.48 -39.22 19.16 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.295 -0.632 . . . . 10.0 109.295 178.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.86 96.42 9.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.517 -0.765 . . . . 10.0 110.181 179.551 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 14.5 t -124.56 129.2 24.73 Favored Pre-proline 0 C--N 1.323 -0.553 0 N-CA-C 109.606 -0.516 . . . . 10.0 109.606 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_exo -67.11 97.67 0.42 Allowed 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 122.664 2.242 . . . . 10.0 111.126 179.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 111' ' ' MET . . . . . . . . . . . . . 53.1 mtm -130.02 152.66 49.23 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.344 -0.389 . . . . 10.0 110.388 -179.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 91.3 t -135.95 134.54 50.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.971 -0.559 . . . . 10.0 109.774 179.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 14.7 tp -92.21 114.25 26.74 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.378 -0.601 . . . . 10.0 109.378 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 40.6 t -117.71 121.46 67.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.261 -0.427 . . . . 10.0 111.791 -179.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -100.07 115.61 5.35 Favored Glycine 0 N--CA 1.45 -0.375 0 N-CA-C 110.794 -0.922 . . . . 10.0 110.794 178.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -94.02 166.6 12.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 117.204 0.502 . . . . 10.0 111.801 -178.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 93.4 mttt 64.96 31.65 11.16 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.526 -0.761 . . . . 10.0 111.59 179.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 118' ' ' CYS . . . . . . . . . . . . . 90.7 m -73.02 -1.9 19.03 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.578 0.585 . . . . 10.0 112.578 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -92.45 -7.78 46.54 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.974 0.416 . . . . 10.0 110.299 179.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 71.0 mt -89.98 135.46 30.18 Favored Pre-proline 0 C--O 1.235 0.319 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.576 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -76.46 168.46 23.74 Favored 'Trans proline' 0 C--O 1.238 0.518 0 C-N-CA 122.877 2.385 . . . . 10.0 112.635 -179.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 12.9 m 58.18 64.66 1.45 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.585 -0.734 . . . . 10.0 111.337 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -84.84 152.43 23.61 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.42 -179.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 3.3 p -94.09 -39.34 10.65 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.855 0.36 . . . . 10.0 110.789 179.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 91.8 t -93.06 109.95 22.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-O 120.988 0.423 . . . . 10.0 110.531 179.312 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -69.43 146.64 51.85 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.11 -0.7 . . . . 10.0 109.11 178.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 11.1 m -55.28 -35.48 65.09 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.811 0.338 . . . . 10.0 110.401 179.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 24.7 mttp -63.57 -49.31 73.89 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 112.999 0.741 . . . . 10.0 112.999 -178.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -63.5 -35.38 80.26 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.693 -0.403 . . . . 10.0 111.217 -179.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -69.11 -38.05 78.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.048 0.452 . . . . 10.0 109.784 178.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -67.35 -42.09 84.09 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.745 -0.661 . . . . 10.0 110.099 179.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -62.96 -44.4 96.14 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 116.115 -0.493 . . . . 10.0 111.077 179.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 37.8 tp -61.75 -41.27 97.46 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 116.544 -0.298 . . . . 10.0 110.305 179.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.2 -30.8 71.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.481 179.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -64.14 -36.33 83.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.595 179.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 14.7 m -80.46 -10.59 59.74 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.027 -0.533 . . . . 10.0 111.22 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 10.2 m-30 -99.88 -31.94 11.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.111 179.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 90.06 13.42 60.56 Favored Glycine 0 C--N 1.332 0.313 0 N-CA-C 111.351 -0.7 . . . . 10.0 111.351 -179.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 43.3 pt -108.52 165.62 12.35 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.554 -0.323 . . . . 10.0 110.481 -179.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -91.67 154.65 3.49 Favored 'Trans proline' 0 CA--C 1.536 0.619 0 C-N-CA 123.051 2.501 . . . . 10.0 112.339 178.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -127.59 131.37 49.96 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.171 -0.468 . . . . 10.0 110.486 -179.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 34.3 mt -131.1 139.63 50.55 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.106 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -94.88 116.84 29.22 Favored 'General case' 0 C--O 1.233 0.204 0 N-CA-C 108.984 -0.747 . . . . 10.0 108.984 178.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 72.6 p -124.42 176.46 6.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.881 0.848 . . . . 10.0 112.92 -178.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 12.0 t -157.2 129.15 7.16 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.792 -1.095 . . . . 10.0 108.371 178.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 146' ' ' ALA . . . . . 0.431 ' N ' ' O6 ' ' C' ' 201' ' ' GSP . . . -78.19 -25.3 47.07 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.006 0.431 . . . . 10.0 110.076 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 39.6 mtpt -67.95 -52.13 39.62 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.72 -0.673 . . . . 10.0 110.998 179.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -85.62 -11.35 54.13 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.453 -0.34 . . . . 10.0 111.067 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 27.9 ttt-85 60.51 34.3 20.41 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.549 0.69 . . . . 10.0 110.599 -179.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -97.54 126.73 43.0 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.164 -0.926 . . . . 10.0 111.094 -179.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 83.47 -4.03 83.0 Favored Glycine 0 CA--C 1.52 0.351 0 CA-C-N 115.897 -0.592 . . . . 10.0 113.572 179.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 98.8 t -57.78 -52.25 60.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.772 0.32 . . . . 10.0 111.719 -179.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -62.53 -50.51 71.07 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.187 -0.46 . . . . 10.0 111.938 -178.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -59.09 -38.97 80.78 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.571 0.582 . . . . 10.0 112.571 -178.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -57.24 -43.94 83.38 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.904 0.383 . . . . 10.0 110.899 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -73.92 -46.48 44.03 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.778 179.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -57.8 -47.79 81.57 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.771 -0.65 . . . . 10.0 111.724 -179.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 43.7 m -62.2 -37.95 87.27 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.317 -0.401 . . . . 10.0 111.217 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 54.3 tp -62.17 -43.17 99.43 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 120.996 0.427 . . . . 10.0 109.953 178.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 84.4 t -63.88 -42.27 95.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.554 0.692 . . . . 10.0 109.376 178.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 6.7 ttp180 -61.5 -37.07 82.34 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.857 -1.065 . . . . 10.0 110.607 179.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 162' ' ' GLU . . . . . 0.441 ' CD ' ' HZ1' ' C' ' 165' ' ' LYS . 18.1 mm-40 -69.07 -34.23 74.81 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.743 179.376 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 71.4 mt -62.37 -45.48 98.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 109.679 -0.489 . . . . 10.0 109.679 178.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -60.97 -45.48 94.59 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.127 -0.694 . . . . 10.0 109.127 178.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 165' ' ' LYS . . . . . 0.441 ' HZ1' ' CD ' ' C' ' 162' ' ' GLU . 29.1 ttmt -53.9 -49.74 67.92 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.083 -0.962 . . . . 10.0 109.989 179.069 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 14.8 t-80 -55.37 -47.49 75.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.438 . . . . 10.0 111.298 179.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 71.8 mttt -62.32 -41.17 98.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.273 -0.422 . . . . 10.0 111.861 -179.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -73.16 -46.56 50.09 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.82 0.343 . . . . 10.0 110.538 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt -59.79 -39.19 84.11 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.352 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 74.8 mmm -71.08 -15.79 62.55 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.257 -0.429 . . . . 10.0 112.128 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 51.0 m -78.28 -18.28 55.49 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-O 121.317 0.579 . . . . 10.0 109.478 178.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 30.5 mtpt -102.88 -41.95 5.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.387 -0.824 . . . . 10.0 109.342 179.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 173' ' ' ASP . . . . . . . . . . . . . 4.6 t70 73.6 168.88 0.31 Allowed 'General case' 0 C--O 1.238 0.45 0 O-C-N 123.835 0.709 . . . . 10.0 111.488 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . -90.71 -4.66 69.7 Favored Glycine 0 N--CA 1.447 -0.582 0 N-CA-C 111.115 -0.794 . . . . 10.0 111.115 179.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 175' ' ' LYS . . . . . . . . . . . . . 14.2 pttm -147.21 -173.59 4.29 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.992 -0.373 . . . . 10.0 109.992 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 176' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt 68.94 -80.04 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 112.757 0.651 . . . . 10.0 112.757 179.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 177' ' ' LYS . . . . . . . . . . . . . 2.6 ptmt -109.78 85.15 2.05 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.725 0.774 . . . . 10.0 111.863 -179.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 178' ' ' LYS . . . . . 0.68 ' HZ3' ' C3 ' ' C' ' 215' ' ' 17F . 41.6 mttt -80.29 103.17 9.98 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.459 -0.791 . . . . 10.0 110.358 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 179' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -91.31 40.02 1.02 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.258 0.551 . . . . 10.0 111.503 -179.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 180' ' ' LYS . . . . . . . . . . . . . 32.4 tttp -165.01 -169.95 1.81 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.665 -0.698 . . . . 10.0 109.616 179.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.18 178.77 1.76 Allowed 'General case' 0 C--O 1.237 0.433 0 N-CA-C 110.22 -0.289 . . . . 10.0 110.22 179.308 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 182' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 68.65 84.47 0.15 Allowed 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.224 0.535 . . . . 10.0 110.501 179.652 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 4.3 p -96.48 -73.53 0.59 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.748 -0.66 . . . . 10.0 111.477 -179.137 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 184' ' ' LYS . . . . . . . . . . . . . 30.6 mttt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.912 179.996 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 401' ' ' PCW . . . . . 0.534 ' C31' ' O3 ' ' A' ' 401' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 402' ' ' PCW . . . . . 0.68 ' C35' ' O31' ' A' ' 402' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 403' ' ' PCW . . . . . 0.807 ' C23' ' C28' ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 404' ' ' PCW . . . . . 0.597 ' C42' ' C16' ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 405' ' ' PCW . . . . . 0.454 ' C8 ' ' O2 ' ' B' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 406' ' ' PCW . . . . . 0.518 ' O3P' ' O31' ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 407' ' ' PCW . . . . . 0.759 ' C21' ' C17' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 408' ' ' PCW . . . . . 0.653 ' C3 ' ' O1P' ' A' ' 408' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 409' ' ' PCW . . . . . 0.789 ' C14' ' C19' ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 410' ' ' PCW . . . . . 0.556 ' C7 ' ' O2P' ' A' ' 402' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 411' ' ' PCW . . . . . 0.516 ' C6 ' ' O4 ' ' B' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 412' ' ' PCW . . . . . 0.447 ' C31' ' O3 ' ' A' ' 412' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 413' ' ' PCW . . . . . 0.575 ' C11' ' O31' ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 414' ' ' PCW . . . . . 0.641 ' C47' ' C43' ' A' ' 414' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 415' ' ' 17F . . . . . 0.529 ' C4 ' ' O10' ' A' ' 415' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 416' ' ' 17F . . . . . 0.438 ' C3 ' ' HZ2' ' B' ' 182' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 417' ' ' PCW . . . . . 0.425 ' C37' ' C41' ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 418' ' ' PCW . . . . . 0.616 ' C34' ' C13' ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 419' ' ' PCW . . . . . 0.536 ' O2P' ' C2 ' ' A' ' 419' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 420' ' ' PCW . . . . . 0.458 ' C31' ' O3 ' ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 421' ' ' PCW . . . . . 0.479 ' O3P' ' O31' ' A' ' 421' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 422' ' ' 17F . . . . . 0.496 ' P1 ' ' O10' ' A' ' 422' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 601' ' ' PCW . . . . . 0.642 ' C42' ' C46' ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 602' ' ' PCW . . . . . 0.586 ' C6 ' ' O4P' ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 603' ' ' PCW . . . . . 0.615 ' O11' ' C6 ' ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 604' ' ' PCW . . . . . 0.715 ' C11' ' C31' ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 605' ' ' PCW . . . . . 0.668 ' O31' ' P ' ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 606' ' ' PCW . . . . . 0.605 ' C14' ' C18' ' D' ' 606' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 607' ' ' PCW . . . . . 0.468 ' C11' ' O31' ' D' ' 607' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 608' ' ' PCW . . . . . 0.504 ' O31' ' O3P' ' D' ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 609' ' ' PCW . . . . . 0.586 ' O3 ' ' O31' ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 610' ' ' PCW . . . . . 0.587 ' C20' ' C24' ' D' ' 610' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 611' ' ' PCW . . . . . 0.433 ' O11' ' O2 ' ' D' ' 611' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 612' ' ' PCW . . . . . 0.463 ' O3 ' ' O31' ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 613' ' ' PCW . . . . . 0.693 ' C21' ' C17' ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 614' ' ' PCW . . . . . 0.618 ' C5 ' ' O1P' ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 615' ' ' PCW . . . . . 0.656 ' C46' ' C42' ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 616' ' ' PCW . . . . . 0.564 ' C5 ' ' O4 ' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 617' ' ' PCW . . . . . 0.572 ' C3 ' ' P ' ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 618' ' ' PCW . . . . . 0.645 ' O1P' ' O2 ' ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 619' ' ' PCW . . . . . 0.54 ' C14' ' C37' ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 620' ' ' PCW . . . . . 0.51 ' C20' ' C44' ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 621' ' ' PCW . . . . . 0.575 ' O1P' ' C5 ' ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 622' ' ' PCW . . . . . 0.643 ' O3P' ' O31' ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 623' ' ' PCW . . . . . 0.654 ' C32' ' C36' ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 624' ' ' PCW . . . . . 0.688 ' C6 ' ' O4P' ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 625' ' ' PCW . . . . . 0.623 ' O1P' ' C5 ' ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 626' ' ' PCW . . . . . 0.672 ' C23' ' C27' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 627' ' ' PCW . . . . . 0.626 ' C20' ' C35' ' C' ' 217' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 628' ' ' 17F . . . . . 0.624 ' C31' ' C19' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 629' ' ' 17F . . . . . 0.585 ' O7 ' ' C17' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 630' ' ' 17F . . . . . 0.488 ' O10' ' O7 ' ' D' ' 630' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 631' ' ' 17F . . . . . 0.542 ' O8 ' ' C4 ' ' D' ' 610' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 632' ' ' 17F . . . . . 0.564 ' O4 ' ' C5 ' ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 201' ' ' GSP . . . . . 0.694 ' O2B' ' O3G' ' B' ' 201' ' ' GSP . . . . . . . . 0 O4'--C1' 1.436 1.796 2 C1'-O4'-C4' 101.397 -9.114 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 202' ' ' ' MG' . . . . . 0.601 'MG ' ' O2B' ' B' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 204' ' ' PCW . . . . . 0.657 ' C23' ' C27' ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 205' ' ' PCW . . . . . 0.657 ' C21' ' C25' ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 206' ' ' PCW . . . . . 0.585 ' C6 ' ' O4P' ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 207' ' ' PCW . . . . . 0.564 ' C11' ' C31' ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 208' ' ' PCW . . . . . 0.628 ' C43' ' C47' ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 209' ' ' 17F . . . . . 0.659 ' C31' ' C19' ' B' ' 209' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 210' ' ' 17F . . . . . 0.48 ' O6 ' ' C18' ' B' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 211' ' ' 17F . . . . . 0.651 ' C17' ' C7 ' ' B' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 201' ' ' GSP . . . . . 0.655 ' O3G' 'MG ' ' C' ' 202' ' ' ' MG' . . . . . . . . 0 O4'--C1' 1.437 1.95 2 O4'-C1'-N19 112.813 4.613 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 202' ' ' ' MG' . . . . . 0.655 'MG ' ' O3G' ' C' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 203' ' ' PCW . . . . . 0.58 ' C21' ' C25' ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 204' ' ' PCW . . . . . 0.692 ' O1P' ' C3 ' ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 205' ' ' PCW . . . . . 0.54 ' C15' ' C23' ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 206' ' ' PCW . . . . . 0.551 ' C7 ' ' O1P' ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 207' ' ' PCW . . . . . 0.707 ' O1P' ' C3 ' ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 208' ' ' PCW . . . . . 0.55 ' C15' ' C15' ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 209' ' ' PCW . . . . . 0.668 ' C22' ' C26' ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 210' ' ' PCW . . . . . 0.615 ' C35' ' O31' ' C' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 211' ' ' PCW . . . . . 0.518 ' C7 ' ' C1 ' ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 212' ' ' PCW . . . . . 0.599 ' C20' ' C24' ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 213' ' ' 17F . . . . . 0.472 ' O7 ' ' O10' ' C' ' 213' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 214' ' ' 17F . . . . . 0.534 ' O8 ' ' C5 ' ' C' ' 214' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 215' ' ' 17F . . . . . 0.68 ' C3 ' ' HZ3' ' C' ' 178' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 216' ' ' PCW . . . . . 0.507 ' C1 ' ' O31' ' C' ' 216' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 217' ' ' PCW . . . . . 0.626 ' C35' ' C20' ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 218' ' ' 17F . . . . . 0.729 ' O7 ' ' C18' ' C' ' 218' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 219' ' ' 17F . . . . . 0.549 ' C1Z' ' C14' ' C' ' 217' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 76.5 mt . . . . . 0 C--O 1.234 0.266 0 CA-C-O 120.836 0.351 . . . . 10.0 110.865 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 7.1 tmtm? -63.61 -58.78 5.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.791 -0.64 . . . . 10.0 110.965 -179.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 82.1 mt -64.84 -33.73 76.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.812 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 61.7 mt -58.45 -46.14 87.14 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.805 -0.634 . . . . 10.0 111.646 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -80.09 -34.43 37.98 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.566 -0.453 . . . . 10.0 111.454 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -64.45 -35.26 80.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.023 0.439 . . . . 10.0 110.282 178.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 42.3 t90 -70.2 -27.83 64.81 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.431 -0.581 . . . . 10.0 109.431 178.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -64.08 -38.84 92.54 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.793 -0.639 . . . . 10.0 109.868 179.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.16 -34.96 78.68 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.168 179.132 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 46.4 t -68.89 -40.61 81.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 109.068 -0.716 . . . . 10.0 109.068 178.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 90.3 m -60.64 -44.04 96.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.366 -0.834 . . . . 10.0 110.337 179.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.75 -35.59 81.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.993 0.425 . . . . 10.0 109.914 179.321 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 34.9 m -64.81 -44.63 89.27 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.096 -0.705 . . . . 10.0 109.096 178.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -59.48 -42.67 92.61 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.178 179.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 19.4 m -60.55 -50.55 73.11 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.824 -0.626 . . . . 10.0 110.293 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 36.3 mmtt -62.41 -33.75 75.4 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.163 -0.472 . . . . 10.0 110.451 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 71.4 mt -65.47 -47.35 76.36 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.099 178.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 58.8 mtt85 -64.88 -38.75 92.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.33 -0.396 . . . . 10.0 110.774 179.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -63.54 -24.48 67.83 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.681 179.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -96.95 -33.55 11.55 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.812 -0.631 . . . . 10.0 110.675 179.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 17.6 mt -53.15 -42.6 66.28 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 116.357 -0.383 . . . . 10.0 111.488 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -54.79 -67.32 2.26 Favored Glycine 0 N--CA 1.45 -0.403 0 N-CA-C 111.368 -0.693 . . . . 10.0 111.368 178.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -53.24 -42.93 61.41 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.516 2.144 . . . . 10.0 111.233 178.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 5.7 t -55.57 -52.04 51.59 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 CA-C-N 116.387 -0.369 . . . . 10.0 111.542 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 6.6 p -67.03 -37.39 84.03 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.866 -0.334 . . . . 10.0 110.856 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -62.71 -50.36 71.42 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.028 0.442 . . . . 10.0 110.838 179.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -66.8 -41.93 86.76 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.925 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -66.3 -43.72 85.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.425 -0.352 . . . . 10.0 111.339 179.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -65.1 -38.42 90.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.779 0.323 . . . . 10.0 110.714 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -60.99 -45.57 94.26 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.291 0.567 . . . . 10.0 109.672 178.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 62.5 m-20 -70.83 -35.56 72.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.483 -0.78 . . . . 10.0 110.256 179.242 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 19.3 mt -65.02 -40.22 94.54 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.469 -0.567 . . . . 10.0 109.469 178.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -63.09 -34.5 77.73 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.665 179.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 50.7 mttt -62.54 -37.4 85.94 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 108.607 -0.886 . . . . 10.0 108.607 178.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -72.26 -44.78 62.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.073 -0.967 . . . . 10.0 110.682 178.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.96 -38.7 92.03 Favored 'General case' 0 CA--C 1.521 -0.143 0 C-N-CA 120.745 -0.382 . . . . 10.0 110.328 179.385 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -65.24 -42.1 93.7 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 108.873 -0.788 . . . . 10.0 108.873 178.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -62.66 -40.35 99.06 Favored Glycine 0 N--CA 1.447 -0.576 0 N-CA-C 110.021 -1.232 . . . . 10.0 110.021 178.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 13.4 mt -67.74 -34.57 77.1 Favored 'General case' 0 C--O 1.224 -0.272 0 C-N-CA 122.655 0.382 . . . . 10.0 110.662 178.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 41.4 mtt180 -65.24 -39.69 93.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.101 0.477 . . . . 10.0 109.925 178.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -77.99 -28.03 49.16 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.014 -0.735 . . . . 10.0 109.014 178.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -69.48 -37.2 77.16 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 108.302 -0.999 . . . . 10.0 108.302 178.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 38.1 ttm -60.57 -34.47 74.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.442 -0.799 . . . . 10.0 110.259 178.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 14.7 m -70.15 1.88 4.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.716 -0.674 . . . . 10.0 111.59 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -128.79 -46.98 1.26 Allowed 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.751 -0.659 . . . . 10.0 110.025 178.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 246' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -64.43 -56.24 15.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.339 -0.391 . . . . 10.0 110.839 179.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . 13.6 mt -75.68 -40.63 55.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.387 -0.369 . . . . 10.0 111.6 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -60.49 -51.53 69.06 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.491 -0.322 . . . . 10.0 111.781 -179.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -70.53 -33.42 71.14 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 121.031 -0.268 . . . . 10.0 111.577 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 250' ' ' VAL . . . . . . . . . . . . . 1.9 p -67.02 -32.15 56.64 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.209 0 C-N-CA 120.889 -0.324 . . . . 10.0 110.881 179.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -80.55 -38.14 30.15 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-O 121.025 0.441 . . . . 10.0 110.595 179.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -68.41 -39.05 81.75 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.005 -0.543 . . . . 10.0 109.691 178.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 50.3 mttt -80.15 -23.68 40.95 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.718 -0.674 . . . . 10.0 111.32 179.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 254' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.74 -27.6 43.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 C-N-CA 121.066 -0.254 . . . . 10.0 110.896 -179.59 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -61.04 -63.61 4.12 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.987 179.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -65.97 -32.82 43.88 Favored 'Trans proline' 0 C--N 1.355 0.921 0 C-N-CA 121.687 1.591 . . . . 10.0 112.057 178.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 4.8 m-30 -62.4 -55.19 30.29 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.871 0.367 . . . . 10.0 110.242 179.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 49.6 mt -66.66 -33.5 75.79 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.855 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -62.95 -46.05 89.57 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 109.716 -0.475 . . . . 10.0 109.716 179.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -63.0 -47.8 81.57 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.821 -0.627 . . . . 10.0 110.272 179.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -61.94 -42.72 99.43 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.978 179.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -65.78 -40.47 92.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.052 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 14.4 ttmt -61.54 -46.19 91.01 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.017 -0.734 . . . . 10.0 109.017 178.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 264' ' ' LYS . . . . . . . . . . . . . 44.9 mttp -61.74 -47.15 86.5 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 115.444 -0.798 . . . . 10.0 109.67 178.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 20.1 m95 -58.71 -42.54 88.91 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 115.681 -0.691 . . . . 10.0 110.782 179.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -59.33 -52.18 66.75 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 110.065 -0.346 . . . . 10.0 110.065 179.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -60.81 -47.1 87.89 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.545 179.108 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -59.54 -44.1 93.32 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.715 -0.675 . . . . 10.0 111.489 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 82.4 mmm -66.53 -46.07 77.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.284 -0.416 . . . . 10.0 111.111 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -62.52 -41.75 99.06 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.583 -0.28 . . . . 10.0 110.691 179.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 35.3 mt -65.65 -39.58 91.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 10.0 109.897 178.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -63.85 -44.08 94.2 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.292 179.049 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -69.61 -36.5 76.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.39 -0.368 . . . . 10.0 110.965 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -67.51 -17.63 64.74 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.901 -0.591 . . . . 10.0 110.045 178.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 275' ' ' LYS . . . . . . . . . . . . . 8.0 mptt -101.39 -44.64 5.57 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.663 -0.699 . . . . 10.0 110.808 179.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 4.2 p -56.31 -34.87 41.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 112.773 0.657 . . . . 10.0 112.773 -178.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -64.05 -60.84 7.88 Favored Pre-proline 0 CA--C 1.539 0.542 0 N-CA-C 112.338 0.496 . . . . 10.0 112.338 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -64.59 -35.03 49.83 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 121.927 1.751 . . . . 10.0 111.745 178.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 51.5 mt -66.8 -37.86 85.38 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.846 0.355 . . . . 10.0 110.323 179.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -65.17 -33.24 75.54 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.079 -0.712 . . . . 10.0 109.079 179.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -64.46 -46.98 80.75 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.06 -0.718 . . . . 10.0 109.06 178.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -60.33 -46.14 90.96 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.259 178.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 95.2 mt -63.38 -43.77 96.65 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 115.625 -0.716 . . . . 10.0 110.898 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -66.25 -51.89 53.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 10.0 111.115 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -61.5 -42.67 99.14 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 120.79 0.329 . . . . 10.0 110.587 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -62.17 -46.26 94.35 Favored Glycine 0 N--CA 1.447 -0.601 0 N-CA-C 110.789 -0.924 . . . . 10.0 110.789 178.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -63.07 -39.95 96.23 Favored 'General case' 0 C--O 1.221 -0.422 0 N-CA-C 109.998 -0.371 . . . . 10.0 109.998 179.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -55.6 -43.84 76.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.424 179.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -74.34 -45.48 46.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.755 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -59.74 -42.45 93.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.301 -0.409 . . . . 10.0 110.544 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 93.8 mt -67.37 -33.1 74.51 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.75 -0.463 . . . . 10.0 109.75 178.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -66.89 -42.02 86.22 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.183 -0.673 . . . . 10.0 109.183 178.073 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.94 -35.12 79.64 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.036 -0.728 . . . . 10.0 109.036 178.02 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 76.9 mt -67.32 -48.75 66.65 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 109.069 -0.715 . . . . 10.0 109.069 178.158 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -59.97 -35.83 75.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.927 -0.579 . . . . 10.0 110.236 179.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -65.61 -7.47 15.18 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.515 -0.766 . . . . 10.0 111.3 179.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 16.0 mmtp -120.75 -29.95 4.56 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 120.943 0.401 . . . . 10.0 110.13 178.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 91.6 mt -67.89 -32.82 73.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.349 -0.387 . . . . 10.0 111.331 179.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 299' ' ' SER . . . . . . . . . . . . . 12.8 m -74.79 -60.42 1.26 Allowed Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 112.433 0.531 . . . . 10.0 112.433 179.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 300' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -64.91 -53.08 0.99 Allowed 'Trans proline' 0 C--N 1.357 1.021 0 C-N-CA 121.876 1.717 . . . . 10.0 112.809 -179.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 59.4 mt -68.3 -23.77 64.78 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.81 0.338 . . . . 10.0 110.301 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -73.54 -47.4 21.64 Favored Glycine 0 N--CA 1.448 -0.545 0 N-CA-C 110.545 -1.022 . . . . 10.0 110.545 178.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -64.16 -40.44 96.15 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 109.074 -0.713 . . . . 10.0 109.074 178.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.16 -42.76 99.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.556 -0.747 . . . . 10.0 109.126 178.435 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 10.3 tpt -59.22 -41.47 88.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.211 179.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 63.9 mtt180 -65.93 -41.77 90.92 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.289 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -69.29 -38.4 78.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.169 0.509 . . . . 10.0 110.08 179.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -65.79 -42.27 90.93 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.066 -0.716 . . . . 10.0 109.066 178.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -61.52 -31.84 71.86 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.529 -0.76 . . . . 10.0 109.791 178.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 310' ' ' ARG . . . . . . . . . . . . . 89.6 mtt180 -58.18 -57.78 11.34 Favored 'General case' 0 C--O 1.221 -0.42 0 N-CA-C 109.017 -0.734 . . . . 10.0 109.017 178.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -67.64 -36.47 80.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.092 -0.504 . . . . 10.0 110.684 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -53.43 -52.35 59.69 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 115.95 -0.568 . . . . 10.0 109.929 179.397 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 60.4 t -81.28 -36.2 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.455 -0.793 . . . . 10.0 111.758 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -54.5 -47.12 73.42 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.699 0.285 . . . . 10.0 111.107 -179.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -61.39 -41.59 97.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.914 -0.585 . . . . 10.0 110.287 179.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 29.1 mt -69.1 -40.27 78.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.989 -0.551 . . . . 10.0 111.273 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 25.2 ttm105 -65.81 -46.99 76.57 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.976 -0.379 . . . . 10.0 109.976 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 88.9 m -64.68 -35.2 80.27 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.637 -0.505 . . . . 10.0 109.637 179.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.24 -32.39 64.7 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.15 -0.477 . . . . 10.0 110.186 179.488 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 1.4 mt -74.24 -22.73 59.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.789 -0.641 . . . . 10.0 111.807 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -54.67 -58.57 13.65 Favored Pre-proline 0 CA--C 1.536 0.411 0 N-CA-C 112.108 0.41 . . . . 10.0 112.108 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_exo -73.94 -28.13 11.49 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 121.909 1.739 . . . . 10.0 110.747 178.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 8.4 m-30 -63.99 -51.35 64.72 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.076 -0.511 . . . . 10.0 111.187 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 35.0 p -68.3 -35.85 78.44 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.879 0.371 . . . . 10.0 110.186 179.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -59.27 -49.86 76.2 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.399 -0.593 . . . . 10.0 109.399 178.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -72.88 -24.56 60.87 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.696 -0.684 . . . . 10.0 110.768 179.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 7.0 mt -64.55 -36.04 82.91 Favored 'General case' 0 CA--C 1.52 -0.188 0 N-CA-C 108.86 -0.793 . . . . 10.0 108.86 177.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 63.7 mtt180 -65.34 -37.01 85.77 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 108.768 -0.827 . . . . 10.0 108.768 178.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -70.32 -37.38 74.7 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.539 -0.755 . . . . 10.0 109.39 178.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 330' ' ' ARG . . . . . 0.412 HH21 ' CB ' ' D' ' 447' ' ' GLU . 16.7 mtt-85 -62.91 -47.67 82.25 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 108.342 -0.985 . . . . 10.0 108.342 177.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 48.2 mt -61.15 -41.2 96.33 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 115.074 -0.966 . . . . 10.0 109.687 178.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -60.88 -48.35 82.22 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.017 179.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -59.9 -46.21 90.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.458 -0.337 . . . . 10.0 110.519 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -63.3 -45.58 90.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.042 -0.527 . . . . 10.0 109.916 179.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 53.8 mt -63.77 -40.95 97.94 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.494 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -62.14 -40.93 97.61 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.71 -0.478 . . . . 10.0 109.71 179.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -65.89 -40.76 91.86 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.07 -0.715 . . . . 10.0 109.07 178.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 83.5 mt -74.6 -7.01 51.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.645 -0.707 . . . . 10.0 110.656 179.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 54.3 mttt -96.3 -53.06 3.75 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.507 -0.553 . . . . 10.0 109.507 179.045 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -66.38 -58.54 5.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.927 -0.579 . . . . 10.0 109.831 179.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -70.52 -36.2 73.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.716 -0.675 . . . . 10.0 109.698 179.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -59.27 -44.73 96.28 Favored Glycine 0 C--N 1.335 0.514 0 CA-C-N 115.769 -0.65 . . . . 10.0 111.57 179.334 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -62.16 -39.78 98.1 Favored Glycine 0 N--CA 1.45 -0.381 0 N-CA-C 110.697 -0.961 . . . . 10.0 110.697 178.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -64.37 -40.62 96.2 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.821 -0.437 . . . . 10.0 109.821 178.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 46.8 mtm180 -62.05 -41.38 98.07 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 115.898 -0.592 . . . . 10.0 109.886 178.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 70.6 mt -63.27 -49.28 74.67 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.138 -0.483 . . . . 10.0 109.81 179.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.41 -41.62 89.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.094 179.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -65.58 -45.94 81.33 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.867 -0.606 . . . . 10.0 110.147 178.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 5.4 m-30 -60.35 -41.72 94.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.355 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 48.4 m-70 -66.18 -42.2 89.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.481 179.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -63.65 -44.04 95.01 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.033 0.444 . . . . 10.0 110.102 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 10.9 mtmm -66.16 -34.67 78.56 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 115.721 -0.672 . . . . 10.0 109.863 178.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -63.17 -40.31 97.17 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.44 -0.578 . . . . 10.0 109.44 178.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 2.6 m -64.28 -35.91 82.37 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.57 -0.53 . . . . 10.0 109.57 178.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -66.27 -36.83 84.0 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 109.243 -0.651 . . . . 10.0 109.243 178.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 45.2 m-70 -73.26 -27.77 61.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.417 -0.811 . . . . 10.0 109.984 178.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 79.6 mt -74.41 -42.11 59.76 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.992 -0.549 . . . . 10.0 111.664 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 1.4 p -64.85 -43.02 94.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.067 0.461 . . . . 10.0 110.057 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 4.3 p -71.24 -25.98 62.71 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.932 -0.576 . . . . 10.0 109.558 178.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 38.0 tp -69.77 -31.05 68.78 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 108.569 -0.9 . . . . 10.0 108.569 177.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 15.5 m -63.07 -32.43 73.8 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.839 -0.619 . . . . 10.0 109.975 178.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -68.55 -22.16 64.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.633 0.73 . . . . 10.0 109.358 179.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 363' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -92.17 -40.77 10.82 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.469 -0.787 . . . . 10.0 109.124 178.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -67.64 -35.01 78.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.744 -0.662 . . . . 10.0 112.203 -179.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -105.94 -74.42 0.02 OUTLIER Pre-proline 0 C--N 1.327 -0.4 0 N-CA-C 113.497 0.925 . . . . 10.0 113.497 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -54.66 -49.53 16.48 Favored 'Trans proline' 0 C--N 1.357 0.998 0 C-N-CA 122.324 2.016 . . . . 10.0 113.817 -179.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 367' ' ' ALA . . . . . . . . . . . . . . . -66.87 -56.95 8.05 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.262 0.468 . . . . 10.0 112.262 -179.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 18.3 mt -55.81 -43.14 76.62 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 112.405 0.52 . . . . 10.0 112.405 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -60.69 -51.3 69.94 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.639 -0.504 . . . . 10.0 109.639 179.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.52 -39.35 90.7 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.979 -0.555 . . . . 10.0 111.325 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 71.7 mt -61.83 -49.07 77.77 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.961 -0.563 . . . . 10.0 109.9 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -64.24 -36.15 83.15 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.158 -0.473 . . . . 10.0 110.607 179.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -65.86 -19.19 65.79 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 121.062 0.458 . . . . 10.0 110.472 178.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -97.75 -32.4 6.26 Favored Glycine 0 N--CA 1.447 -0.609 0 N-CA-C 110.915 -0.874 . . . . 10.0 110.915 178.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 84.8 mt -68.84 -35.98 77.6 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 111.653 0.242 . . . . 10.0 111.653 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 20.5 mt -56.26 -59.23 12.52 Favored Pre-proline 0 N--CA 1.468 0.466 0 N-CA-C 112.987 0.736 . . . . 10.0 112.987 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -60.46 -32.82 94.22 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 121.918 1.746 . . . . 10.0 111.029 178.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 25.2 t -67.38 -40.12 84.05 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 N-CA-C 109.586 -0.524 . . . . 10.0 109.586 178.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 20.7 mt -62.54 -40.52 97.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.979 -0.555 . . . . 10.0 109.847 178.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -61.46 -43.33 99.05 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 109.323 -0.621 . . . . 10.0 109.323 178.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 12.3 m -64.65 -38.81 92.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.733 -0.667 . . . . 10.0 109.684 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -68.11 -35.77 78.67 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.809 -0.632 . . . . 10.0 110.586 178.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -59.5 -47.71 84.47 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 109.354 -0.61 . . . . 10.0 109.354 178.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 34.7 t -60.71 -48.16 89.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.66 -0.7 . . . . 10.0 109.337 178.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 15.3 m -57.83 -41.3 82.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.732 -0.667 . . . . 10.0 110.852 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -64.24 -44.19 92.61 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.424 179.079 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 94.8 mt -58.29 -50.41 73.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.479 -0.782 . . . . 10.0 110.775 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 2.0 p -67.21 -38.26 84.99 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 116.21 -0.45 . . . . 10.0 111.475 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -63.2 -48.17 79.46 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 120.598 0.237 . . . . 10.0 110.9 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 54.8 mt -60.56 -43.29 97.44 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.247 -0.433 . . . . 10.0 109.935 179.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -61.86 -50.09 73.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.525 -0.761 . . . . 10.0 110.623 179.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -54.45 -56.08 22.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.109 -0.496 . . . . 10.0 111.945 -179.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -57.21 -43.35 82.67 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.586 0.587 . . . . 10.0 112.586 -179.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 10.9 m -73.36 -29.74 62.85 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.467 0.543 . . . . 10.0 112.467 -179.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 41.1 mtmt -70.53 -36.63 73.83 Favored 'General case' 0 N--CA 1.464 0.228 0 O-C-N 122.272 -0.268 . . . . 10.0 111.705 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 3.3 mptt -87.71 -46.39 9.53 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.779 0.659 . . . . 10.0 112.779 -179.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 75.4 mt -76.55 -26.16 54.84 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.071 0.767 . . . . 10.0 113.071 -178.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 54.8 t30 . . . . . 0 C--N 1.327 -0.385 0 N-CA-C 112.08 0.4 . . . . 10.0 112.08 -178.959 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 2.9 mm? . . . . . 0 CA--C 1.523 -0.075 0 CA-C-O 121.517 0.675 . . . . 10.0 110.467 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -86.37 19.15 2.87 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.407 -0.815 . . . . 10.0 110.221 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 22.6 mt -61.59 -48.91 78.81 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.242 -0.89 . . . . 10.0 110.971 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 91.5 mt -66.95 -34.18 77.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.793 0.33 . . . . 10.0 111.126 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -62.33 -49.96 73.54 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.568 -0.53 . . . . 10.0 109.568 179.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -68.74 -40.95 79.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.424 -0.807 . . . . 10.0 110.235 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 12.6 t90 -55.57 -42.23 74.41 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.672 -0.695 . . . . 10.0 110.427 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -61.07 -50.29 73.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.052 -0.522 . . . . 10.0 111.161 179.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 19.6 m -60.53 -41.39 94.37 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.463 -0.335 . . . . 10.0 111.187 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 88.5 t -65.26 -45.8 92.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.814 0.34 . . . . 10.0 110.377 179.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 20.5 m -64.25 -34.25 77.68 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.914 -0.402 . . . . 10.0 109.914 179.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 68.7 m -67.62 -27.22 66.71 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.466 -0.568 . . . . 10.0 109.466 178.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 24.1 m -69.72 -35.81 75.35 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.385 -0.969 . . . . 10.0 108.385 177.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -66.26 -35.93 81.68 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 108.929 -0.767 . . . . 10.0 108.929 178.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 3.4 m -64.3 -38.78 92.26 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 108.608 -0.886 . . . . 10.0 108.608 177.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 47.0 mmtt -64.58 -34.19 77.68 Favored 'General case' 0 CA--C 1.522 -0.117 0 CA-C-N 115.912 -0.585 . . . . 10.0 109.474 178.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 76.4 mt -65.98 -39.57 90.47 Favored 'General case' 0 N--CA 1.453 -0.325 0 N-CA-C 108.913 -0.773 . . . . 10.0 108.913 178.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 36.4 mtt180 -69.26 -34.15 74.33 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.72 -0.673 . . . . 10.0 110.136 178.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -62.41 -29.65 70.65 Favored 'General case' 0 C--O 1.227 -0.103 0 N-CA-C 109.306 -0.627 . . . . 10.0 109.306 177.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -83.45 -52.96 6.06 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.734 -0.839 . . . . 10.0 108.734 178.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 87.5 mt -44.81 -47.94 10.98 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 115.28 -0.873 . . . . 10.0 112.87 -179.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -50.41 -79.16 0.08 OUTLIER Glycine 0 CA--C 1.523 0.535 0 C-N-CA 121.126 -0.559 . . . . 10.0 113.326 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -57.3 -39.84 86.8 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.872 2.381 . . . . 10.0 112.649 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 37.2 t -60.02 -50.68 79.23 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.198 0 N-CA-C 112.434 0.531 . . . . 10.0 112.434 -179.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 59.9 p -65.98 -30.49 71.05 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 120.51 -0.476 . . . . 10.0 111.74 -179.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -59.84 -45.32 92.79 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 120.963 0.411 . . . . 10.0 110.293 179.115 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -86.62 -21.67 26.63 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.791 178.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -64.81 -41.36 95.84 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.58 -0.896 . . . . 10.0 108.58 178.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 21.1 m0 -69.73 -37.3 76.45 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.792 -0.818 . . . . 10.0 108.792 178.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -63.41 -38.89 92.91 Favored 'General case' 0 CA--C 1.519 -0.227 0 N-CA-C 108.683 -0.858 . . . . 10.0 108.683 178.259 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -66.56 -48.34 69.96 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.327 -0.851 . . . . 10.0 109.197 178.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 58.0 mt -56.18 -50.54 70.9 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.395 179.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -59.48 -44.38 93.05 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.077 -0.511 . . . . 10.0 109.819 179.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.15 -46.73 85.15 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.806 -0.634 . . . . 10.0 110.229 178.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -60.9 -53.7 54.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.45 -0.795 . . . . 10.0 110.47 179.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 6.0 p -59.22 -38.8 80.82 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-N 116.475 -0.33 . . . . 10.0 111.591 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -65.5 -43.89 88.74 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 116.821 -0.172 . . . . 10.0 110.837 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -67.16 -39.64 92.58 Favored Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 110.611 -0.996 . . . . 10.0 110.611 178.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 94.0 mt -68.62 -28.17 66.67 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-O 120.738 0.304 . . . . 10.0 110.942 179.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 43.9 mtt180 -66.91 -25.13 66.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.575 -0.284 . . . . 10.0 111.189 179.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -70.84 -48.06 55.99 Favored 'General case' 0 C--O 1.232 0.169 0 N-CA-C 109.559 -0.534 . . . . 10.0 109.559 178.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.98 -26.11 60.28 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.242 178.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 5.8 mmm -71.22 -44.6 65.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.914 -0.585 . . . . 10.0 111.8 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 10.8 p -61.91 -45.34 94.16 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.32 -0.622 . . . . 10.0 109.32 179.367 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 4.3 mtpp -65.35 -39.47 92.38 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.472 -0.786 . . . . 10.0 109.994 178.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -61.0 -51.96 67.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.399 179.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 73.6 mt -60.18 -50.3 74.23 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.28 0.474 . . . . 10.0 112.28 -179.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -63.98 -41.03 97.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.644 0.259 . . . . 10.0 111.166 -179.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 447' ' ' GLU . . . . . 0.412 ' CB ' HH21 ' A' ' 330' ' ' ARG . 20.2 mt-10 -66.11 -38.02 87.17 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 109.755 -0.461 . . . . 10.0 109.755 178.635 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 2.3 t -58.31 -44.3 87.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.014 -0.539 . . . . 10.0 109.608 178.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -65.81 -31.06 71.81 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.068 -0.515 . . . . 10.0 110.885 179.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -89.72 -8.22 52.81 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.609 0.596 . . . . 10.0 112.609 -179.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 54.2 mttm -114.02 -44.61 3.13 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.042 0.386 . . . . 10.0 112.042 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 55.9 t -62.63 -38.91 82.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.496 -0.32 . . . . 10.0 111.155 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -58.8 -60.16 11.35 Favored Pre-proline 0 C--N 1.33 -0.262 0 N-CA-C 112.485 0.55 . . . . 10.0 112.485 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -63.85 -25.7 67.6 Favored 'Trans proline' 0 C--N 1.353 0.814 0 C-N-CA 121.965 1.777 . . . . 10.0 111.435 178.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -72.59 -40.02 66.89 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.027 -0.731 . . . . 10.0 109.027 178.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 34.2 mt -66.99 -35.5 80.09 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 109.083 -0.71 . . . . 10.0 109.083 178.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -69.7 -41.62 75.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.374 -0.83 . . . . 10.0 109.339 178.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -62.4 -44.62 96.02 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 108.544 -0.909 . . . . 10.0 108.544 177.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 1.2 m-30 -64.7 -40.84 96.06 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.322 -0.854 . . . . 10.0 109.966 178.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -58.45 -40.61 83.09 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.317 179.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 51.9 mttt -68.42 -42.89 78.27 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.302 179.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 2.1 ttmm -65.44 -45.34 84.2 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.892 -0.595 . . . . 10.0 110.345 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 50.1 m0 -68.45 -30.1 68.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.019 178.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -65.73 -49.12 69.61 Favored 'General case' 0 CA--C 1.514 -0.419 0 N-CA-C 108.272 -1.01 . . . . 10.0 108.272 178.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 465' ' ' GLU . . . . . . . . . . . . . 77.5 mt-10 -61.89 -44.95 95.76 Favored 'General case' 0 C--O 1.223 -0.342 0 N-CA-C 108.449 -0.945 . . . . 10.0 108.449 177.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 31.1 tp10 -54.26 -47.84 71.84 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.478 -0.783 . . . . 10.0 110.196 179.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 66.9 mtm -65.72 -42.7 90.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.048 -0.524 . . . . 10.0 110.398 179.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -61.84 -38.27 87.58 Favored 'General case' 0 C--N 1.334 -0.075 0 N-CA-C 109.487 -0.56 . . . . 10.0 109.487 178.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 469' ' ' LEU . . . . . . . . . . . . . 77.2 mt -61.25 -40.51 94.34 Favored 'General case' 0 C--O 1.218 -0.574 0 N-CA-C 109.351 -0.611 . . . . 10.0 109.351 178.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 23.4 m-30 -65.17 -32.06 73.56 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.588 179.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -71.98 -27.22 62.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 10.0 110.011 178.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -103.39 4.66 36.48 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.01 -0.541 . . . . 10.0 111.294 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 473' ' ' LYS . . . . . . . . . . . . . 82.3 mttt -131.57 -73.29 0.53 Allowed 'General case' 0 C--O 1.221 -0.402 0 CA-C-N 116.473 -0.331 . . . . 10.0 110.681 179.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 95.5 t -52.07 -44.55 39.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.445 -0.343 . . . . 10.0 111.736 -179.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -59.68 -61.53 7.7 Favored Pre-proline 0 CA--C 1.537 0.468 0 N-CA-C 112.786 0.661 . . . . 10.0 112.786 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -64.23 -36.23 47.56 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 121.592 1.528 . . . . 10.0 112.049 178.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 65.4 mt -65.67 -37.1 85.56 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 110.103 -0.332 . . . . 10.0 110.103 179.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -63.32 -33.18 74.96 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 109.573 -0.528 . . . . 10.0 109.573 178.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -74.02 -46.59 42.56 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.868 -0.605 . . . . 10.0 109.485 179.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.79 -44.46 96.79 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.4 0.619 . . . . 10.0 109.772 178.71 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 63.4 mt -68.13 -33.34 74.31 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.656 -0.702 . . . . 10.0 110.46 179.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -67.5 -45.42 75.86 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.319 -0.623 . . . . 10.0 109.319 178.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -64.88 -44.18 90.51 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.805 -0.634 . . . . 10.0 109.382 178.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -64.54 -34.33 89.61 Favored Glycine 0 N--CA 1.45 -0.425 0 N-CA-C 111.212 -0.755 . . . . 10.0 111.212 178.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -68.73 -39.5 80.37 Favored 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 109.291 -0.633 . . . . 10.0 109.291 178.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 83.8 mtt180 -63.65 -36.84 85.17 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 108.883 -0.784 . . . . 10.0 108.883 178.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -67.43 -43.41 81.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.481 -0.781 . . . . 10.0 108.935 177.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -62.96 -39.79 95.73 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.805 -0.634 . . . . 10.0 109.597 178.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 84.2 mt -66.16 -38.34 87.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.702 -0.681 . . . . 10.0 109.266 178.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 9.0 t-160 -63.38 -42.85 98.86 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 108.775 -0.824 . . . . 10.0 108.775 178.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -58.79 -44.52 90.73 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 108.841 -0.8 . . . . 10.0 108.841 178.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 92.0 mt -64.59 -42.91 95.28 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.31 -0.859 . . . . 10.0 110.66 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -59.95 -38.62 83.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.002 0.43 . . . . 10.0 110.827 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 -75.27 -0.98 21.41 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 115.88 -0.6 . . . . 10.0 111.189 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 495' ' ' LYS . . . . . . . . . . . . . 18.9 mttp -116.7 -43.17 2.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.761 0.315 . . . . 10.0 110.724 179.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 78.1 mt -65.04 -20.07 66.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.257 -0.428 . . . . 10.0 111.601 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 497' ' ' SER . . . . . . . . . . . . . 7.9 m -83.28 -67.08 0.2 Allowed Pre-proline 0 C--N 1.326 -0.429 0 N-CA-C 111.847 0.314 . . . . 10.0 111.847 179.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 498' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -65.57 -51.01 1.53 Allowed 'Trans proline' 0 C--N 1.357 1.002 0 C-N-CA 121.6 1.533 . . . . 10.0 112.136 179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 499' ' ' LEU . . . . . . . . . . . . . 58.1 mt -70.05 -28.85 65.8 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 109.9 -0.408 . . . . 10.0 109.9 179.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -65.21 -53.1 35.09 Favored Glycine 0 N--CA 1.445 -0.749 0 N-CA-C 110.53 -1.028 . . . . 10.0 110.53 178.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -63.9 -35.77 81.74 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.899 -0.408 . . . . 10.0 109.899 179.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 502' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -63.74 -47.16 82.16 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.787 -0.642 . . . . 10.0 109.69 178.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 79.2 mmm -62.51 -37.02 84.42 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 178.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 77.3 mtt180 -66.16 -42.5 88.91 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.243 -0.651 . . . . 10.0 109.243 178.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -66.89 -37.52 84.53 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.87 -0.605 . . . . 10.0 109.87 179.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 506' ' ' ARG . . . . . . . . . . . . . 60.6 mtt180 -59.82 -48.12 82.98 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 107.871 -1.159 . . . . 10.0 107.871 177.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -63.72 -35.73 81.53 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.027 -0.988 . . . . 10.0 110.243 179.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 508' ' ' ARG . . . . . . . . . . . . . 48.6 mtt180 -61.3 -48.89 79.31 Favored 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 108.693 -0.854 . . . . 10.0 108.693 178.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -64.69 -37.08 86.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.413 179.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -62.66 -53.73 50.08 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.377 179.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 62.0 t -66.79 -35.16 74.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.688 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -60.66 -44.0 96.95 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.194 -0.669 . . . . 10.0 109.194 178.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -70.63 -43.45 69.24 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.351 -0.841 . . . . 10.0 109.66 178.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 514' ' ' LEU . . . . . . . . . . . . . 74.1 mt -59.03 -34.5 71.98 Favored 'General case' 0 C--O 1.225 -0.191 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.375 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 515' ' ' ARG . . . . . . . . . . . . . 6.3 mtm105 -66.88 -20.77 65.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.402 0.62 . . . . 10.0 110.135 178.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.89 11.33 22.34 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.631 -0.713 . . . . 10.0 109.29 179.037 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 17.5 m170 -118.67 -59.6 1.85 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.415 -0.811 . . . . 10.0 110.181 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 69.0 mt -72.93 -50.57 22.79 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.748 -0.66 . . . . 10.0 111.977 -178.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 519' ' ' ALA . . . . . . . . . . . . . . . -54.81 -57.46 19.15 Favored Pre-proline 0 C--N 1.329 -0.293 0 N-CA-C 112.156 0.428 . . . . 10.0 112.156 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 520' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -60.23 -33.63 94.6 Favored 'Trans proline' 0 C--N 1.357 1.002 0 C-N-CA 122.115 1.877 . . . . 10.0 111.456 178.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -70.6 -36.11 73.35 Favored 'General case' 0 CA--C 1.518 -0.262 0 C-N-CA 120.783 -0.367 . . . . 10.0 110.202 179.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 49.2 m -65.97 -30.12 70.63 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.137 -0.69 . . . . 10.0 109.137 178.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.24 -41.41 90.04 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.648 -0.871 . . . . 10.0 108.648 178.392 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -72.58 -33.46 66.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.44 -0.8 . . . . 10.0 109.386 178.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 53.9 mt -65.6 -33.97 77.14 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 115.587 -0.733 . . . . 10.0 109.224 177.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 526' ' ' ARG . . . . . . . . . . . . . 52.4 mtt180 -62.87 -33.8 76.03 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.311 178.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -70.56 -43.94 68.44 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.106 -0.701 . . . . 10.0 109.106 178.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 528' ' ' ARG . . . . . . . . . . . . . 62.2 mtt180 -65.7 -40.09 91.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.529 -0.76 . . . . 10.0 109.507 179.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 23.0 mt -65.62 -38.84 90.57 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.631 -0.713 . . . . 10.0 109.858 178.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -60.94 -45.42 94.77 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.802 -0.444 . . . . 10.0 109.802 179.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -68.19 -42.68 79.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.963 -0.562 . . . . 10.0 109.957 178.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 34.7 ttm180 -60.4 -49.37 77.86 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.746 -0.661 . . . . 10.0 109.986 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 82.9 mt -65.32 -36.81 85.2 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.388 179.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -59.48 -47.36 85.81 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.889 -0.782 . . . . 10.0 108.889 179.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -65.89 -45.6 81.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.691 -0.686 . . . . 10.0 110.509 178.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 69.3 mt -59.64 -40.32 87.27 Favored 'General case' 0 C--O 1.226 -0.152 0 CA-C-N 116.372 -0.376 . . . . 10.0 111.529 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 19.1 mtmt -72.57 -39.36 67.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.759 0.314 . . . . 10.0 110.406 179.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -64.96 -54.45 30.35 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.497 179.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -67.94 -33.1 74.03 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.438 -0.578 . . . . 10.0 109.438 179.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -63.27 -45.79 94.4 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 111.33 -0.708 . . . . 10.0 111.33 179.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -60.01 -42.46 98.38 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.671 -0.776 . . . . 10.0 111.194 179.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -66.75 -49.72 65.04 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.733 -0.469 . . . . 10.0 109.733 178.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 49.2 mtt85 -58.05 -37.24 74.04 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.922 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 74.2 mt -62.29 -47.44 84.28 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.937 -0.394 . . . . 10.0 109.937 178.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -63.27 -43.71 97.18 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.869 -0.605 . . . . 10.0 109.728 179.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -63.75 -46.67 84.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.396 179.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -60.16 -43.97 95.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.453 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -64.24 -42.88 96.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.94 -0.573 . . . . 10.0 109.782 178.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -61.52 -47.78 84.02 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.579 -0.526 . . . . 10.0 109.579 178.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.17 -37.16 84.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.787 -0.642 . . . . 10.0 109.86 179.029 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -66.73 -34.3 77.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.193 178.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 5.7 m -69.5 -39.2 77.76 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.352 -0.61 . . . . 10.0 109.352 178.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -68.01 -43.63 78.39 Favored 'General case' 0 C--O 1.231 0.128 0 N-CA-C 108.391 -0.966 . . . . 10.0 108.391 177.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 15.8 t60 -60.9 -39.26 88.65 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.08 -0.964 . . . . 10.0 109.097 179.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 42.4 tp -62.57 -41.32 98.85 Favored 'General case' 0 CA--C 1.521 -0.138 0 CA-C-N 115.55 -0.75 . . . . 10.0 109.934 178.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 68.8 m -63.16 -43.28 98.75 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.275 -0.639 . . . . 10.0 109.275 178.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 6.3 m -64.2 -38.26 90.41 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.983 -0.553 . . . . 10.0 109.533 178.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 92.4 mt -58.29 -53.36 59.13 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 115.896 -0.593 . . . . 10.0 109.96 179.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.86 -39.51 83.75 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 123.226 0.329 . . . . 10.0 110.898 -179.705 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -59.96 -30.1 68.87 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 115.757 -0.656 . . . . 10.0 111.381 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.16 -37.44 9.31 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 111.72 0.267 . . . . 10.0 111.72 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -62.75 -42.9 99.89 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 112.714 0.635 . . . . 10.0 112.714 -179.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -54.61 -61.36 5.78 Favored Pre-proline 0 C--O 1.236 0.39 0 N-CA-C 112.136 0.421 . . . . 10.0 112.136 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -64.64 -35.27 48.05 Favored 'Trans proline' 0 C--N 1.358 1.047 0 C-N-CA 121.854 1.703 . . . . 10.0 111.88 179.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -62.2 -50.92 69.86 Favored 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 110.145 -0.317 . . . . 10.0 110.145 179.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 81.0 mt -63.32 -40.68 98.01 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 110.022 -0.362 . . . . 10.0 110.022 179.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.87 -53.38 58.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.14 0.495 . . . . 10.0 110.049 178.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -65.19 -35.99 82.8 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.715 -0.675 . . . . 10.0 111.084 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 11.3 mt -61.72 -46.35 90.01 Favored 'General case' 0 C--O 1.221 -0.42 0 N-CA-C 109.402 -0.592 . . . . 10.0 109.402 178.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -65.64 -43.32 89.82 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.472 179.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -70.82 -15.38 62.65 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.38 -0.373 . . . . 10.0 111.092 179.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -98.19 -38.71 3.96 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.854 -0.689 . . . . 10.0 111.664 179.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 65.0 mt -65.53 -34.42 78.21 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.017 -0.091 . . . . 10.0 111.179 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 76.7 mt -54.68 -63.23 3.03 Favored Pre-proline 0 CA--C 1.535 0.388 0 N-CA-C 112.14 0.422 . . . . 10.0 112.14 179.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -62.49 -35.05 73.69 Favored 'Trans proline' 0 C--N 1.356 0.939 0 C-N-CA 121.677 1.585 . . . . 10.0 111.476 179.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 20.7 t -63.28 -45.97 96.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.442 -0.344 . . . . 10.0 110.274 179.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 55.5 mt -62.37 -42.02 99.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.517 -0.31 . . . . 10.0 110.208 179.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -62.86 -44.7 95.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 10.0 109.817 179.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 45.2 m -63.64 -39.89 95.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.895 -0.593 . . . . 10.0 109.813 178.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -63.83 -35.82 81.87 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 115.826 -0.625 . . . . 10.0 110.625 179.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -65.26 -40.91 94.57 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.728 -0.471 . . . . 10.0 109.728 178.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 90.7 t -61.34 -43.18 96.14 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.292 179.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.84 -39.56 69.67 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.126 179.754 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -67.53 -45.93 74.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.696 -0.229 . . . . 10.0 111.156 179.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 13.0 mt -57.04 -46.23 82.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.464 -0.335 . . . . 10.0 110.649 179.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 8.7 p -69.97 -38.61 76.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.219 -0.446 . . . . 10.0 111.13 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -63.94 -55.66 20.92 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.342 -0.39 . . . . 10.0 110.613 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 88.0 mt -60.53 -38.11 83.37 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 123.238 0.336 . . . . 10.0 111.84 -179.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -66.4 -54.48 23.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.955 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -64.65 -32.88 74.73 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.103 -0.498 . . . . 10.0 111.755 -179.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -63.99 -41.25 97.56 Favored 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 109.745 -0.465 . . . . 10.0 109.745 178.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 46.5 m -67.27 -29.34 68.92 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.192 0.52 . . . . 10.0 110.23 179.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -74.33 -48.38 28.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.977 -0.556 . . . . 10.0 111.256 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -73.85 -34.23 64.42 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.254 -0.43 . . . . 10.0 111.941 -179.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 36.4 mt -106.25 54.65 0.68 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.041 0.448 . . . . 10.0 110.298 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 . . . . . 0 C--N 1.323 -0.583 0 CA-C-N 115.98 -0.555 . . . . 10.0 111.24 -179.661 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 2.3 m . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.864 0.364 . . . . 10.0 110.38 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -94.42 124.29 38.35 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.523 -0.308 . . . . 10.0 110.785 -179.652 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -89.99 138.76 31.23 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.015 -0.735 . . . . 10.0 109.015 178.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -129.36 117.71 21.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 123.239 0.337 . . . . 10.0 110.595 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 31.8 mttm -81.95 106.9 14.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.114 0.483 . . . . 10.0 110.879 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 12.4 mt -110.11 121.84 46.2 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.634 -0.712 . . . . 10.0 110.621 -179.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 49.0 t -109.81 124.77 66.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 120.715 0.293 . . . . 10.0 110.564 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 22.4 t -88.29 121.22 38.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.141 -0.689 . . . . 10.0 109.141 179.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 31.7 m -122.52 156.77 27.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.292 -0.413 . . . . 10.0 111.176 -178.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 147.59 177.43 22.02 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.854 -0.688 . . . . 10.0 112.039 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.81 -175.21 0.85 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.392 0.615 . . . . 10.0 112.054 -179.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -92.19 146.69 23.52 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.85 -0.614 . . . . 10.0 111.649 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 65.51 25.64 71.53 Favored Glycine 0 CA--C 1.523 0.565 0 CA-C-N 115.497 -0.774 . . . . 10.0 113.953 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 27.8 m -95.27 -22.16 5.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 117.338 0.569 . . . . 10.0 112.067 -179.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 121.28 13.64 5.25 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.838 -0.696 . . . . 10.0 113.197 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 24.3 mtmm -59.95 -47.32 86.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.082 0.468 . . . . 10.0 111.182 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.24 -39.41 68.49 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.015 -179.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.61 -55.18 37.68 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.942 -0.572 . . . . 10.0 112.177 -179.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 38.5 mt -57.97 -47.88 81.64 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.015 0.376 . . . . 10.0 112.015 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 19.4 m -61.68 -47.16 86.59 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.62 -179.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 87.6 mt -65.21 -32.36 57.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.813 0.34 . . . . 10.0 110.83 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -66.12 -32.69 74.29 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-O 121.052 0.454 . . . . 10.0 110.508 179.081 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 13.4 tp -77.95 -31.73 51.05 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.786 -0.366 . . . . 10.0 111.303 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 34.8 mm -89.6 -61.39 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 112.786 0.661 . . . . 10.0 112.786 -178.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -85.12 -13.94 48.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.758 0.313 . . . . 10.0 111.799 -178.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 60.79 45.69 9.67 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 112.935 0.717 . . . . 10.0 112.935 178.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -150.5 157.88 43.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.54 -0.3 . . . . 10.0 110.942 179.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -91.94 120.84 32.98 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.619 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -84.26 122.89 38.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.425 -0.352 . . . . 10.0 110.285 179.392 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -86.83 -33.35 19.87 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.345 -179.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -84.93 148.53 26.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.28 -0.418 . . . . 10.0 110.076 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -93.36 127.34 38.93 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.904 0.383 . . . . 10.0 110.581 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -119.78 111.55 35.86 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.393 -0.367 . . . . 10.0 111.149 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -65.54 107.63 1.07 Allowed 'Trans proline' 0 N--CA 1.463 -0.272 0 C-N-CA 122.718 2.278 . . . . 10.0 109.648 178.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' THR . . . . . 0.452 ' OG1' ' O3G' ' B' ' 201' ' ' GSP . 1.3 m -84.46 135.91 34.06 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.333 -0.394 . . . . 10.0 111.861 -178.614 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 20.9 mm -95.38 -52.74 9.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 107.652 -1.24 . . . . 10.0 107.652 178.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -174.66 95.73 0.08 Allowed 'General case' 0 C--O 1.234 0.255 0 CA-C-N 114.7 -1.136 . . . . 10.0 108.979 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -114.45 148.76 37.3 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.655 -0.248 . . . . 10.0 110.502 -178.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -129.23 135.58 48.99 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.827 0.346 . . . . 10.0 111.638 -179.251 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -130.61 138.29 50.04 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.231 -0.44 . . . . 10.0 111.148 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -116.51 134.7 54.54 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.236 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 56.5 tttp -149.6 126.14 10.94 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.169 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -95.98 121.16 37.43 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.839 -0.619 . . . . 10.0 109.517 179.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -137.25 161.75 34.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.848 0.356 . . . . 10.0 110.852 -179.288 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 15.8 t -99.94 96.68 5.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.242 179.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 68.2 mt -104.14 123.99 58.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.556 -0.747 . . . . 10.0 110.58 -178.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 59.93 20.63 9.63 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.865 -0.607 . . . . 10.0 112.072 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.89 0.17 66.54 Favored Glycine 0 N--CA 1.454 -0.158 0 C-N-CA 121.022 -0.609 . . . . 10.0 112.644 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -108.77 136.99 47.43 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.661 0.267 . . . . 10.0 110.807 -179.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 1.8 m -79.85 103.39 9.72 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.341 -0.985 . . . . 10.0 108.341 178.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 15.2 m -108.09 135.46 49.41 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 112.256 0.465 . . . . 10.0 112.256 -178.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 41.4 tp -99.72 108.32 20.62 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 107.651 -1.241 . . . . 10.0 107.651 178.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 26.5 mt -82.58 124.41 30.12 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.89 0.7 . . . . 10.0 112.89 -177.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -108.43 85.7 2.16 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 106.902 -1.518 . . . . 10.0 106.902 177.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 19.5 mt -92.2 139.09 18.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 113.131 0.789 . . . . 10.0 113.131 -177.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 16.3 tp -125.5 117.85 24.52 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.297 -0.865 . . . . 10.0 110.096 178.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -93.78 110.92 22.54 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 108.899 -0.778 . . . . 10.0 108.899 179.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 69.9 p -90.64 -173.25 3.68 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.572 0.582 . . . . 10.0 112.572 -178.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -99.82 155.3 17.72 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.854 -0.612 . . . . 10.0 111.215 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -115.85 11.78 17.94 Favored Glycine 0 N--CA 1.444 -0.816 0 N-CA-C 111.158 -0.777 . . . . 10.0 111.158 179.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -89.17 7.89 32.92 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.529 -0.336 . . . . 10.0 111.222 -179.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.433 ' C ' ' H ' ' B' ' 64' ' ' TYR . 13.9 mm-40 59.81 -139.0 0.67 Allowed 'General case' 0 C--N 1.331 -0.236 0 O-C-N 123.571 0.545 . . . . 10.0 111.141 -179.21 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 73.51 -37.58 0.38 Allowed 'General case' 0 N--CA 1.467 0.394 0 O-C-N 123.401 0.438 . . . . 10.0 111.678 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' TYR . . . . . 0.433 ' H ' ' C ' ' B' ' 62' ' ' GLU . 31.2 m-85 -78.78 73.59 5.33 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.129 0.49 . . . . 10.0 111.623 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.61 -15.4 52.31 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.082 -0.508 . . . . 10.0 111.038 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -120.49 -33.18 3.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.049 -0.523 . . . . 10.0 111.842 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 28.8 ttp -67.7 -26.26 66.09 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.742 0.306 . . . . 10.0 111.378 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -59.05 -36.46 75.06 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.906 -0.588 . . . . 10.0 111.422 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -56.37 -35.11 67.31 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.68 -0.691 . . . . 10.0 111.903 -179.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -59.27 -58.18 9.77 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.244 0.461 . . . . 10.0 112.244 -178.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -72.68 -24.89 61.08 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.88 0.696 . . . . 10.0 112.88 -178.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 36.2 mtt -70.29 -35.9 74.0 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.939 0.4 . . . . 10.0 111.03 179.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -80.83 -19.97 43.46 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.129 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 4.2 m -94.36 -42.6 8.81 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.492 0.553 . . . . 10.0 112.492 -179.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -67.75 140.47 36.68 Favored Glycine 0 C--N 1.333 0.399 0 C-N-CA 121.128 -0.558 . . . . 10.0 113.437 -179.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -91.14 -47.6 7.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.697 0.284 . . . . 10.0 110.543 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -113.67 137.94 14.53 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.921 -0.657 . . . . 10.0 111.728 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -112.92 122.8 48.71 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.286 0.565 . . . . 10.0 111.55 -179.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 17.7 tp -95.47 104.08 15.97 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.529 -0.76 . . . . 10.0 110.086 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.7 97.81 7.44 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.035 -0.529 . . . . 10.0 109.895 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 90.9 t -104.87 121.52 56.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.043 0.449 . . . . 10.0 110.921 -179.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 20.6 p90 -135.26 157.83 45.91 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.59 179.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -96.83 136.4 37.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.04 179.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 35.0 pt -75.44 -12.17 14.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 112.369 0.507 . . . . 10.0 112.369 -179.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 22.5 p-10 -94.19 4.03 54.45 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.848 0.356 . . . . 10.0 111.118 179.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -137.94 107.09 6.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.821 179.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 1.6 m -61.91 -29.75 70.43 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.962 -0.563 . . . . 10.0 111.802 -179.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -55.7 -47.78 76.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.449 -0.342 . . . . 10.0 111.098 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.03 -33.56 73.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 10.0 111.488 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -67.68 -47.82 68.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.258 -0.428 . . . . 10.0 111.004 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -70.01 -31.98 69.91 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.241 -0.436 . . . . 10.0 110.743 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -61.77 -27.07 68.48 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.945 -0.57 . . . . 10.0 111.446 179.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 47.4 mm -57.11 -38.77 62.55 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-N 116.508 -0.315 . . . . 10.0 110.994 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -64.3 -46.5 83.3 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.543 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -61.28 -44.34 97.39 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.262 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -63.4 -45.61 90.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.532 178.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 4.7 tmt_? -58.56 -50.08 75.08 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.956 -0.565 . . . . 10.0 111.918 -178.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 -62.0 -34.6 76.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.691 0.281 . . . . 10.0 111.386 -179.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -68.29 -41.86 80.32 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.471 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 96.7 mt -58.07 -45.77 88.27 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.585 179.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 38.4 mtmt -62.06 -32.85 73.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.297 -0.411 . . . . 10.0 110.954 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 13.2 ttm180 -76.63 -43.46 38.17 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.118 -0.492 . . . . 10.0 111.692 -179.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 99.9 t -70.29 -46.98 69.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.965 0.412 . . . . 10.0 111.939 -179.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -80.93 -16.03 54.66 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.487 -0.324 . . . . 10.0 111.858 -179.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 2.9 t70 57.54 60.77 2.71 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.685 0.755 . . . . 10.0 111.259 -179.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 8.4 t -157.44 145.65 19.19 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.424 -0.807 . . . . 10.0 110.133 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -96.01 -25.89 15.75 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.247 0.546 . . . . 10.0 110.071 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.87 79.84 1.38 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.773 -0.649 . . . . 10.0 110.823 -179.301 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -110.36 133.33 21.13 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 116.205 -0.452 . . . . 10.0 111.457 -179.675 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.7 124.22 12.87 Favored 'Trans proline' 0 C--O 1.236 0.384 0 C-N-CA 122.839 2.359 . . . . 10.0 111.987 179.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 16.7 mtm -151.13 153.21 34.58 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.524 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 85.3 t -135.77 126.93 44.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.002 -0.545 . . . . 10.0 109.804 179.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 19.2 tp -85.94 115.59 23.65 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.009 0.433 . . . . 10.0 110.103 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 57.2 t -117.61 125.31 74.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.218 0.532 . . . . 10.0 112.001 -178.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -105.28 119.72 6.26 Favored Glycine 0 N--CA 1.445 -0.745 0 N-CA-C 110.429 -1.069 . . . . 10.0 110.429 178.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -102.47 166.82 10.33 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.63 0.215 . . . . 10.0 111.146 -179.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 91.7 mttt 65.51 32.29 9.54 Favored 'General case' 0 N--CA 1.463 0.189 0 O-C-N 123.746 0.654 . . . . 10.0 111.273 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 54.5 m -69.27 -14.02 62.72 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.866 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -84.13 -3.73 58.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.372 -0.376 . . . . 10.0 110.915 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 8.9 mt -92.51 130.48 37.11 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.052 179.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -75.58 175.02 11.83 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.921 2.414 . . . . 10.0 111.474 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 19.8 m 58.77 52.85 6.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.079 -0.509 . . . . 10.0 110.959 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 -69.56 137.23 52.23 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.055 -0.52 . . . . 10.0 111.243 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.03 -30.92 17.43 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.137 0.494 . . . . 10.0 109.757 179.157 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 48.1 t -100.53 117.85 46.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.891 -0.595 . . . . 10.0 109.511 179.143 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -75.1 142.79 43.62 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.175 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -56.83 -50.73 71.52 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.658 -179.545 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 15.5 pttm -63.55 -33.56 75.86 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 113.509 0.929 . . . . 10.0 113.509 -177.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -68.19 -27.55 66.49 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.302 -0.559 . . . . 10.0 110.93 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -88.1 -32.8 18.51 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.42 -0.585 . . . . 10.0 109.42 178.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -63.43 -52.46 61.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.267 -0.878 . . . . 10.0 112.015 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -62.52 -35.42 79.33 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.957 0.408 . . . . 10.0 110.939 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 27.7 tp -62.06 -46.03 90.94 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.02 179.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.82 -36.18 82.78 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 115.888 -0.596 . . . . 10.0 110.075 179.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? -62.26 -37.33 85.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.839 -0.619 . . . . 10.0 110.351 179.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 13.0 t -69.67 -12.2 61.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 10.0 111.453 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -106.33 -28.44 10.38 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.788 0.328 . . . . 10.0 110.869 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 101.33 -4.2 54.77 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.722 -0.752 . . . . 10.0 112.627 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 39.2 pt -82.54 152.49 67.0 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-O 120.585 0.231 . . . . 10.0 111.323 -179.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -80.37 156.85 22.4 Favored 'Trans proline' 0 C--O 1.239 0.563 0 C-N-CA 122.763 2.309 . . . . 10.0 111.823 179.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -143.57 131.43 21.53 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 115.901 -0.59 . . . . 10.0 110.463 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 12.2 tt -143.63 142.85 24.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.657 -179.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -78.56 135.37 37.28 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.485 -0.561 . . . . 10.0 109.485 179.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 16.8 p -136.01 143.31 44.69 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.32 0.581 . . . . 10.0 112.373 -178.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 1.7 m -133.48 101.49 5.17 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.127 -1.064 . . . . 10.0 108.127 178.367 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -64.5 -29.8 70.84 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.717 0.636 . . . . 10.0 112.717 -178.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -61.08 -33.79 73.9 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.744 0.307 . . . . 10.0 111.265 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.28 -8.81 24.43 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.922 179.746 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 74.28 -7.97 1.55 Allowed 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 113.408 0.892 . . . . 10.0 113.408 179.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.88 138.07 42.21 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 121.634 -0.666 . . . . 10.0 112.13 -179.77 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 86.96 -29.18 5.17 Favored Glycine 0 CA--C 1.524 0.63 0 C-N-CA 121.125 -0.56 . . . . 10.0 113.777 179.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 36.8 t -55.03 -41.63 60.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 112.105 0.409 . . . . 10.0 112.105 -178.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.31 -53.88 41.89 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.042 0.386 . . . . 10.0 112.042 -179.105 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -62.37 -32.77 73.62 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.731 0.641 . . . . 10.0 112.731 -178.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -56.92 -46.8 81.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.995 0.426 . . . . 10.0 110.421 179.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -74.61 -35.38 62.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.038 -0.528 . . . . 10.0 111.048 179.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -63.57 -44.53 93.85 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.499 179.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 28.7 m -67.44 -33.8 75.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.251 -0.432 . . . . 10.0 110.501 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 44.9 tp -59.22 -45.99 89.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.274 179.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 84.1 t -73.32 -35.62 46.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.227 179.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -57.52 -40.77 79.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.46 -0.791 . . . . 10.0 110.745 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -66.63 -31.25 71.82 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.365 -0.379 . . . . 10.0 111.092 179.269 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 51.9 mt -74.12 -44.88 49.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-O 120.708 0.289 . . . . 10.0 110.638 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 33.9 ttm105 -63.87 -38.35 90.77 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 109.085 -0.709 . . . . 10.0 109.085 179.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 26.4 ttmt -66.33 -43.69 85.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.363 -0.835 . . . . 10.0 109.308 178.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -54.04 -49.63 68.54 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-N 115.611 -0.722 . . . . 10.0 110.971 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -57.32 -48.01 80.07 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.466 -0.334 . . . . 10.0 111.653 -179.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -63.85 -47.56 80.22 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.482 179.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 13.3 mmmm -63.43 -32.43 73.87 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.806 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 14.4 mmt -79.5 -9.02 59.53 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.813 0.672 . . . . 10.0 112.813 -179.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 9.9 m -69.56 -34.46 74.2 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.301 0.572 . . . . 10.0 109.833 178.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 28.5 mtpt -107.2 -28.1 10.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.604 -0.726 . . . . 10.0 110.381 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 173' ' ' ASP . . . . . . . . . . . . 0.346 3.5 p30 52.66 -93.65 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 113.908 1.077 . . . . 10.0 113.908 -178.628 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . -126.77 -94.71 0.9 Allowed Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.698 -0.763 . . . . 10.0 112.649 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 175' ' ' LYS . . . . . 0.479 ' NZ ' ' C3 ' ' C' ' 215' ' ' 17F . 20.2 tptp -143.22 175.88 9.55 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.906 -0.405 . . . . 10.0 109.906 -179.182 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 176' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp 62.74 29.91 16.78 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 112.043 0.386 . . . . 10.0 112.043 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 177' ' ' LYS . . . . . . . . . . . . . 28.0 mmtp -114.63 -101.16 0.43 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.229 -0.441 . . . . 10.0 111.461 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 53.4 tttm 53.34 75.23 0.26 Allowed 'General case' 0 N--CA 1.468 0.445 0 O-C-N 123.559 0.537 . . . . 10.0 109.976 -179.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 179' ' ' LYS . . . . . . . . . . . . . 25.6 pttt -90.47 142.18 28.0 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.882 0.697 . . . . 10.0 112.882 -178.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -159.07 115.67 2.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.497 -0.774 . . . . 10.0 109.281 179.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -142.42 122.77 13.94 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 121.145 -0.222 . . . . 10.0 111.241 -179.206 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 29.6 tttm -125.16 90.27 3.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.002 0.43 . . . . 10.0 110.398 178.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 1.7 m -78.04 121.77 24.69 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.394 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 184' ' ' LYS . . . . . 0.613 ' H ' ' C7 ' ' A' ' 414' ' ' PCW . 54.0 mtpt . . . . . 0 C--N 1.326 -0.43 0 CA-C-O 120.626 0.25 . . . . 10.0 111.196 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 13.8 m . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.782 0.325 . . . . 10.0 110.971 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.99 131.36 38.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.873 -179.712 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -98.62 135.81 39.61 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.288 -0.415 . . . . 10.0 110.734 -179.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -132.53 116.49 16.8 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.56 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -88.19 117.96 27.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.892 0.377 . . . . 10.0 110.265 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 21.2 mt -116.04 132.52 56.63 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.945 -0.571 . . . . 10.0 110.801 -178.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 39.4 t -124.02 130.54 73.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 N-CA-C 110.145 -0.317 . . . . 10.0 110.145 179.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 3.7 m -99.46 118.95 46.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.197 0.522 . . . . 10.0 111.661 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 15.9 m -108.02 150.44 10.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.111 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 157.03 -178.02 33.62 Favored Glycine 0 N--CA 1.445 -0.711 0 N-CA-C 111.124 -0.79 . . . . 10.0 111.124 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.63 -176.47 6.28 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.067 0.46 . . . . 10.0 110.698 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.28 139.65 30.78 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.348 -0.387 . . . . 10.0 110.508 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 91.24 7.89 65.05 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.66 -0.781 . . . . 10.0 112.69 179.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 35.6 m -88.4 -14.33 9.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.851 0.358 . . . . 10.0 110.819 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 95.12 28.14 10.2 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.928 -0.653 . . . . 10.0 112.989 179.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 1.4 mtmt -58.22 -40.85 82.73 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.037 0.384 . . . . 10.0 112.037 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 17' ' ' SER . . . . . 0.422 ' OG ' ' O3G' ' C' ' 201' ' ' GSP . 0.9 OUTLIER -79.39 -33.87 42.37 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.606 -0.27 . . . . 10.0 111.412 -179.354 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.18 -43.11 87.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 10.0 111.498 -179.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 95.5 mt -63.02 -34.9 78.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 10.0 111.662 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -76.62 -46.12 27.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.449 -0.341 . . . . 10.0 111.147 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 81.5 mt -61.23 -35.99 69.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 10.0 111.283 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -65.91 -16.47 63.89 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.736 0.303 . . . . 10.0 111.394 179.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 13.6 tp -103.4 -42.33 5.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.981 0.419 . . . . 10.0 110.784 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 49.6 mm -71.44 -52.61 25.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.833 -0.621 . . . . 10.0 112.067 -179.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -110.05 -1.71 17.42 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.109 0.48 . . . . 10.0 112.013 -179.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 56.4 m-80 57.56 45.16 19.85 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 113.397 0.888 . . . . 10.0 113.397 178.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 8.0 p80 -151.25 166.47 30.8 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.559 0.219 . . . . 10.0 111.046 178.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -119.66 144.37 47.21 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.259 -0.428 . . . . 10.0 110.939 -179.042 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 4.3 m -111.4 121.27 63.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.805 -0.634 . . . . 10.0 109.926 179.084 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -77.82 -27.39 50.02 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.249 0.547 . . . . 10.0 110.7 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -80.71 136.76 36.23 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.695 -0.684 . . . . 10.0 110.594 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -65.82 142.67 57.87 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.846 -0.615 . . . . 10.0 110.142 179.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -142.09 101.81 5.76 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-O 120.712 0.291 . . . . 10.0 110.691 179.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -60.03 111.14 0.9 Allowed 'Trans proline' 0 C--O 1.233 0.26 0 C-N-CA 122.894 2.396 . . . . 10.0 111.889 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 35' ' ' THR . . . . . 0.443 ' OG1' ' O3G' ' C' ' 201' ' ' GSP . 1.3 m -93.64 119.06 32.18 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.61 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 49.8 mm -90.0 -49.99 13.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 108.257 -1.016 . . . . 10.0 108.257 178.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -166.34 85.1 0.3 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.088 -0.96 . . . . 10.0 109.958 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -111.15 126.05 54.43 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.07 -0.344 . . . . 10.0 110.07 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -110.29 138.69 46.33 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.025 0.441 . . . . 10.0 111.874 -179.65 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -127.05 140.94 51.93 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.095 -179.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -120.42 131.33 54.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.429 -0.35 . . . . 10.0 110.513 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 55.1 tttp -144.77 126.08 14.79 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.92 0.39 . . . . 10.0 111.486 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -94.3 106.61 18.58 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.883 -0.599 . . . . 10.0 109.937 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 4.4 m -125.05 163.43 25.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 121.009 0.433 . . . . 10.0 111.566 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 34.9 t -98.04 105.79 17.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.071 -0.513 . . . . 10.0 109.644 179.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 25.7 mt -112.07 119.88 61.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.509 -0.314 . . . . 10.0 110.744 -178.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 63.0 20.66 12.44 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.511 -0.768 . . . . 10.0 111.632 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.82 -4.22 75.15 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.818 -0.706 . . . . 10.0 111.99 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -107.86 136.9 46.81 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 110.1 -0.333 . . . . 10.0 110.1 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 4.6 m -72.01 118.53 15.0 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.095 -0.705 . . . . 10.0 109.095 178.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 35.8 m -120.88 124.26 44.54 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.983 -179.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 56.4 tp -95.41 107.22 19.34 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.459 -0.941 . . . . 10.0 108.459 178.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 38.5 mt -83.03 122.18 27.99 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 112.513 0.56 . . . . 10.0 112.513 -178.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -110.57 80.55 1.32 Allowed 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 107.249 -1.389 . . . . 10.0 107.249 177.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 23.8 mt -89.76 138.15 19.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.836 -0.62 . . . . 10.0 112.504 -178.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 32.8 tp -127.38 115.6 19.2 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.992 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -94.85 96.78 9.56 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.011 -0.737 . . . . 10.0 109.011 178.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.84 161.44 17.52 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.995 -0.548 . . . . 10.0 111.502 -179.597 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.34 129.19 40.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.833 -0.621 . . . . 10.0 112.303 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -112.0 32.77 6.12 Favored Glycine 0 N--CA 1.45 -0.405 0 CA-C-N 115.491 -0.777 . . . . 10.0 111.391 179.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.87 25.5 5.91 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.591 -0.304 . . . . 10.0 110.779 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 64.3 -161.14 0.29 Allowed 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.023 -0.535 . . . . 10.0 111.171 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 72.76 -54.98 0.69 Allowed 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.149 0.58 . . . . 10.0 112.369 179.376 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -58.18 92.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.745 0.646 . . . . 10.0 112.745 -179.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 3.8 m -106.67 -25.53 11.73 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.796 -0.638 . . . . 10.0 109.915 179.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.4 -54.68 3.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.252 0.549 . . . . 10.0 111.06 179.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 23.0 ttt -61.7 -33.68 74.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.898 -0.592 . . . . 10.0 111.437 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 68' ' ' ARG . . . . . . . . . . . . . 16.3 ttp180 -63.4 -35.49 80.59 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.181 -0.463 . . . . 10.0 111.223 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -66.94 -38.85 86.93 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.542 -0.754 . . . . 10.0 110.933 -179.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -62.85 -54.56 36.9 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.744 0.646 . . . . 10.0 112.744 -178.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 71' ' ' TYR . . . . . . . . . . . . . 5.4 p90 -65.39 -27.96 68.92 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.653 0.612 . . . . 10.0 112.653 -178.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 46.2 mtt -69.34 -21.91 63.79 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.114 0.483 . . . . 10.0 110.335 179.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 6.1 mtm180 -88.17 -12.38 44.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.971 -0.559 . . . . 10.0 110.017 178.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 2.4 m -101.98 -40.1 7.03 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.137 0.421 . . . . 10.0 112.137 -178.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -70.89 152.67 50.58 Favored Glycine 0 CA--C 1.519 0.3 0 C-N-CA 120.753 -0.737 . . . . 10.0 112.849 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -106.96 -51.34 2.94 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.731 0.301 . . . . 10.0 110.69 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -101.94 116.19 5.46 Favored Glycine 0 N--CA 1.441 -1.029 0 N-CA-C 111.13 -0.788 . . . . 10.0 111.13 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 78' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -103.97 119.14 38.31 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.914 0.388 . . . . 10.0 111.42 -179.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 11.2 tp -98.02 121.32 39.81 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.29 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 27.4 m -87.93 98.29 11.41 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.989 -0.745 . . . . 10.0 108.989 179.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 21.9 t -98.31 115.89 39.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.022 -0.536 . . . . 10.0 111.417 -178.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -128.4 161.82 28.57 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.577 -0.738 . . . . 10.0 109.894 179.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -105.46 131.97 52.22 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.454 -0.339 . . . . 10.0 110.256 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 84' ' ' ILE . . . . . . . . . . . . . 18.8 pt -68.48 -9.69 11.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.521 -0.309 . . . . 10.0 111.735 -179.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 22.2 p-10 -107.84 15.54 24.4 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.15 179.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -141.95 95.14 2.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.856 -0.611 . . . . 10.0 109.406 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.57 -32.13 70.07 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.064 -0.516 . . . . 10.0 112.19 -178.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -59.44 -47.55 85.05 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.343 -0.39 . . . . 10.0 111.668 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 89.8 p -60.58 -37.88 82.79 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.135 0.42 . . . . 10.0 112.135 -179.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -65.52 -42.59 91.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.934 0.397 . . . . 10.0 111.288 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -73.3 -29.46 62.72 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.391 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.58 -23.04 66.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.878 -0.601 . . . . 10.0 111.786 -179.753 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 40.4 mm -57.99 -36.58 56.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.177 0.513 . . . . 10.0 110.175 179.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 17.8 t60 -61.97 -41.78 98.4 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.674 -0.694 . . . . 10.0 110.164 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 77.3 m-70 -63.19 -44.95 93.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.493 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -67.0 -42.41 85.05 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.934 -0.576 . . . . 10.0 110.808 -179.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 97' ' ' ARG . . . . . 0.484 ' NH1' ' HZ2' ' C' ' 101' ' ' LYS . 3.9 tmt_? -56.54 -48.57 76.98 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.282 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -65.02 -35.63 81.8 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.108 -0.496 . . . . 10.0 111.777 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -66.26 -49.64 66.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.499 -0.318 . . . . 10.0 111.002 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 58.1 mt -54.8 -42.0 59.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 O-C-N 123.386 0.428 . . . . 10.0 110.866 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 101' ' ' LYS . . . . . 0.484 ' HZ2' ' NH1' ' C' ' 97' ' ' ARG . 44.8 mtmt -62.86 -39.28 93.94 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.897 -0.592 . . . . 10.0 111.05 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 9.8 tmm_? -74.33 -40.71 62.02 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.22 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 61.1 t -56.58 -49.3 78.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.113 -0.494 . . . . 10.0 111.924 -179.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 13.1 mttp -97.26 -1.73 44.17 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.708 -0.397 . . . . 10.0 111.823 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 32.3 t70 53.92 58.63 4.89 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.72 0.771 . . . . 10.0 111.087 -179.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 27.0 m -150.39 149.28 29.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.751 -0.659 . . . . 10.0 110.592 -179.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -92.52 -48.04 6.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.977 0.418 . . . . 10.0 110.988 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -79.97 92.98 5.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.053 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 66.0 t -112.14 131.49 22.5 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 116.299 -0.41 . . . . 10.0 110.108 -179.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -68.32 102.85 0.86 Allowed 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.676 2.251 . . . . 10.0 111.481 179.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 111' ' ' MET . . . . . . . . . . . . . 33.6 mtm -138.84 154.74 48.46 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.094 -0.503 . . . . 10.0 109.774 -179.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 93.6 t -134.59 130.47 53.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 N-CA-C 109.273 -0.64 . . . . 10.0 109.273 178.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 15.1 tp -84.42 117.79 23.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.924 0.392 . . . . 10.0 110.026 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 33.1 t -123.85 122.54 64.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.223 0.535 . . . . 10.0 111.451 -178.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -100.97 120.34 6.85 Favored Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 110.255 -1.138 . . . . 10.0 110.255 178.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -101.78 165.37 11.24 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.844 0.322 . . . . 10.0 111.424 -179.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 98.8 mttt 66.92 30.39 7.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.698 -0.683 . . . . 10.0 111.905 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 118' ' ' CYS . . . . . . . . . . . . . 57.9 m -69.88 -8.1 45.75 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.88 0.696 . . . . 10.0 112.88 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -94.03 1.31 56.24 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.928 0.394 . . . . 10.0 111.218 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 30.6 mt -90.96 128.47 47.74 Favored Pre-proline 0 C--O 1.236 0.362 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.652 179.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -67.75 152.99 77.02 Favored 'Trans proline' 0 C--O 1.236 0.407 0 C-N-CA 122.365 2.044 . . . . 10.0 111.443 179.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 6.7 m 65.59 79.76 0.24 Allowed 'General case' 0 CA--C 1.529 0.171 0 O-C-N 123.758 0.661 . . . . 10.0 111.364 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -93.51 139.01 31.21 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.983 -0.553 . . . . 10.0 111.224 -179.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 16.1 p -87.53 -32.96 19.12 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.02 0.438 . . . . 10.0 109.937 179.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 64.8 t -92.95 121.08 43.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-N 116.0 -0.546 . . . . 10.0 110.612 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -78.74 139.45 38.44 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.498 -0.774 . . . . 10.0 109.633 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.31 -37.37 82.98 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.324 0.583 . . . . 10.0 109.88 179.658 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.71 -46.45 87.3 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.097 -0.956 . . . . 10.0 111.786 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -68.41 -27.98 66.68 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.846 0.355 . . . . 10.0 111.527 -179.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -80.33 -44.94 18.66 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.006 0.431 . . . . 10.0 110.416 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -64.99 -42.7 94.28 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.967 -0.56 . . . . 10.0 111.041 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -68.64 -31.19 70.16 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.293 -0.412 . . . . 10.0 111.203 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 48.2 tp -67.77 -41.72 82.86 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.317 -0.623 . . . . 10.0 109.317 178.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -67.78 -26.37 66.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.337 -0.847 . . . . 10.0 109.693 179.042 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 6.8 tmm_? -61.27 -44.21 97.62 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.352 -0.84 . . . . 10.0 110.729 179.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -73.37 -22.36 60.3 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.984 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -83.06 -32.59 26.74 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.055 -0.521 . . . . 10.0 111.109 -179.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 93.19 11.11 58.93 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.744 -0.741 . . . . 10.0 112.121 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 41.4 pt -114.68 159.28 37.78 Favored Pre-proline 0 C--N 1.326 -0.446 0 N-CA-C 110.334 -0.247 . . . . 10.0 110.334 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -87.35 158.97 8.18 Favored 'Trans proline' 0 N--CA 1.46 -0.484 0 C-N-CA 122.488 2.125 . . . . 10.0 112.963 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -121.07 136.88 54.89 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.617 -0.719 . . . . 10.0 109.71 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 37.6 mt -131.21 137.13 56.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.738 -0.21 . . . . 10.0 111.329 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -89.52 134.44 34.11 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 108.437 -0.949 . . . . 10.0 108.437 178.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 21.7 p -131.19 171.15 13.63 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.959 0.725 . . . . 10.0 112.959 -178.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 14.4 t -168.74 117.85 0.7 Allowed 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 114.842 -1.072 . . . . 10.0 108.705 179.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -79.55 -0.11 32.11 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.74 0.305 . . . . 10.0 111.276 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 5.5 ttmt -82.48 -53.08 6.27 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.542 -0.54 . . . . 10.0 109.542 179.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -87.92 -22.22 24.48 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.649 -0.501 . . . . 10.0 109.649 178.573 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 26.9 ttt-85 63.39 48.15 3.66 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.503 -0.772 . . . . 10.0 111.194 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -123.92 134.47 53.51 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.683 -0.69 . . . . 10.0 109.578 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 86.17 -19.88 24.3 Favored Glycine 0 C--N 1.329 0.171 0 C-N-CA 120.946 -0.645 . . . . 10.0 112.671 179.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 3.7 t -64.99 -41.61 92.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.095 0.474 . . . . 10.0 110.608 -179.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.31 -36.64 82.78 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.857 -0.61 . . . . 10.0 110.723 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.11 -39.26 93.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.009 -0.542 . . . . 10.0 110.371 179.35 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.32 -47.15 87.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.504 -0.771 . . . . 10.0 111.486 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -59.41 -47.53 85.1 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.74 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 21.7 m-30 -61.76 -44.31 97.14 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.977 -0.556 . . . . 10.0 111.481 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 29.5 m -61.21 -42.43 98.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 10.0 112.154 -179.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 33.5 tp -60.99 -37.41 82.38 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.908 0.385 . . . . 10.0 111.2 -179.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 85.7 t -70.77 -42.39 77.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.913 -0.585 . . . . 10.0 111.035 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 78.4 mtm-85 -65.16 -32.54 74.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.099 -0.501 . . . . 10.0 111.766 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 162' ' ' GLU . . . . . 0.444 ' CD ' ' HZ2' ' C' ' 165' ' ' LYS . 14.9 tp10 -65.39 -31.96 73.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.989 0.423 . . . . 10.0 110.621 179.512 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 61.2 mt -67.58 -35.77 74.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.049 179.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 42.5 mtt85 -69.62 -19.0 63.65 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.052 -0.522 . . . . 10.0 111.272 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 165' ' ' LYS . . . . . 0.444 ' HZ2' ' CD ' ' C' ' 162' ' ' GLU . 30.1 ttmt -75.65 -19.01 59.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 10.0 111.189 -179.648 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 61.0 t60 -60.42 -45.82 92.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.19 0.519 . . . . 10.0 110.146 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 42.9 pttt -92.1 25.49 2.85 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.941 -0.572 . . . . 10.0 109.934 179.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -126.02 -54.88 1.49 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.445 -0.798 . . . . 10.0 110.704 -178.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 34.6 tttm -86.27 -43.86 12.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 10.0 111.901 -179.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 36.1 mmm -64.09 -38.43 91.03 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.552 0.575 . . . . 10.0 112.552 -178.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.98 -28.96 70.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.371 -0.377 . . . . 10.0 111.708 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -92.32 -4.66 53.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.538 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 173' ' ' ASP . . . . . . . . . . . . . 32.0 t70 51.43 60.38 3.9 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.841 0.829 . . . . 10.0 110.098 -178.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . 94.11 -106.74 3.45 Favored Glycine 0 N--CA 1.442 -0.908 0 CA-C-N 115.249 -0.887 . . . . 10.0 111.057 -178.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 175' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.15 31.8 2.4 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.24 0.543 . . . . 10.0 109.555 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 176' ' ' LYS . . . . . . . . . . . . . 7.5 tptp -83.02 90.0 6.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.834 -0.621 . . . . 10.0 111.678 -179.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 177' ' ' LYS . . . . . . . . . . . . . 47.3 tptt -150.69 142.15 23.43 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.9 -0.591 . . . . 10.0 109.95 179.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 178' ' ' LYS . . . . . 0.471 ' NZ ' ' O11' ' C' ' 207' ' ' PCW . 50.6 tttp -74.45 112.02 10.21 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.05 179.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 179' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -76.41 132.55 39.75 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.943 -0.571 . . . . 10.0 109.977 178.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 180' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -78.47 96.83 5.5 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.797 0.332 . . . . 10.0 110.91 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.6 134.1 36.45 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.89 -0.595 . . . . 10.0 110.545 179.561 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 182' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -79.53 170.8 16.04 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.35 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -101.71 -20.5 14.95 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.696 0.284 . . . . 10.0 111.23 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 184' ' ' LYS . . . . . . . . . . . . . 20.9 mtpp . . . . . 0 C--N 1.331 -0.206 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.628 179.805 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 401' ' ' PCW . . . . . 0.613 ' C6 ' ' O31' ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 402' ' ' PCW . . . . . 0.466 ' C35' ' C31' ' A' ' 402' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 403' ' ' PCW . . . . . 0.684 ' C3 ' ' O1P' ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 404' ' ' PCW . . . . . 0.724 ' O31' ' C35' ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 405' ' ' PCW . . . . . 0.576 ' C36' ' C44' ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 406' ' ' PCW . . . . . 0.5 ' C35' ' C8 ' ' B' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 407' ' ' PCW . . . . . 0.727 ' C21' ' C17' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 408' ' ' PCW . . . . . 0.567 ' O4P' ' C6 ' ' A' ' 408' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 409' ' ' PCW . . . . . 0.802 ' C14' ' C19' ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 410' ' ' PCW . . . . . 0.523 ' C3 ' ' P ' ' A' ' 410' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 411' ' ' PCW . . . . . 0.668 ' C21' ' C17' ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 412' ' ' PCW . . . . . 0.451 ' O31' ' O3 ' ' A' ' 412' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 413' ' ' PCW . . . . . 0.447 ' C11' ' O31' ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 414' ' ' PCW . . . . . 0.628 ' C47' ' C43' ' A' ' 414' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 415' ' ' 17F . . . . . 0.596 ' C2 ' ' O1 ' ' A' ' 415' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 416' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 417' ' ' PCW . . . . . 0.496 ' O31' ' O3 ' ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 418' ' ' PCW . . . . . 0.501 ' O3P' ' O31' ' A' ' 418' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 419' ' ' PCW . . . . . 0.55 ' O3 ' ' O31' ' A' ' 419' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 420' ' ' PCW . . . . . 0.545 ' O2 ' ' C41' ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 421' ' ' PCW . . . . . 0.565 ' C12' ' C9 ' ' D' ' 630' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 422' ' ' 17F . . . . . 0.571 ' C11' ' C38' ' C' ' 218' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 601' ' ' PCW . . . . . 0.632 ' C43' ' C47' ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 602' ' ' PCW . . . . . 0.582 ' C21' ' C17' ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 603' ' ' PCW . . . . . 0.496 ' O4P' ' O1 ' ' C' ' 219' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 604' ' ' PCW . . . . . 0.596 ' O3 ' ' O31' ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 605' ' ' PCW . . . . . 0.615 ' O31' ' P ' ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 606' ' ' PCW . . . . . 0.597 ' C14' ' C18' ' D' ' 606' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 607' ' ' PCW . . . . . 0.553 ' C11' ' O31' ' D' ' 607' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 608' ' ' PCW . . . . . 0.553 ' C26' ' C35' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 609' ' ' PCW . . . . . 0.436 ' O4P' ' C8 ' ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 610' ' ' PCW . . . . . 0.607 ' C20' ' C24' ' D' ' 610' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 611' ' ' PCW . . . . . 0.401 ' C21' ' C45' ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 612' ' ' PCW . . . . . 0.476 ' O11' ' C8 ' ' D' ' 620' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 613' ' ' PCW . . . . . 0.721 ' C21' ' C17' ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 614' ' ' PCW . . . . . 0.575 ' C8 ' ' O31' ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 615' ' ' PCW . . . . . 0.669 ' C46' ' C42' ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 616' ' ' PCW . . . . . 0.49 ' C22' ' C23' ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 617' ' ' PCW . . . . . 0.565 ' O2 ' ' O2P' ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 618' ' ' PCW . . . . . 0.664 ' C23' ' C27' ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 619' ' ' PCW . . . . . 0.422 ' O1P' ' C8 ' ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 620' ' ' PCW . . . . . 0.476 ' C8 ' ' O11' ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 621' ' ' PCW . . . . . 0.499 ' O4P' ' C7 ' ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 622' ' ' PCW . . . . . 0.627 ' O3P' ' O31' ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 623' ' ' PCW . . . . . 0.697 ' C32' ' C36' ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 624' ' ' PCW . . . . . 0.695 ' C24' ' C20' ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 625' ' ' PCW . . . . . 0.66 ' O1P' ' C5 ' ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 626' ' ' PCW . . . . . 0.679 ' C23' ' C27' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 627' ' ' PCW . . . . . 0.609 ' C2 ' ' C4 ' ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 628' ' ' 17F . . . . . 0.648 ' C31' ' C19' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 629' ' ' 17F . . . . . 0.596 ' O10' ' O7 ' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 630' ' ' 17F . . . . . 0.565 ' C9 ' ' C12' ' A' ' 421' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 631' ' ' 17F . . . . . 0.584 ' O10' ' O7 ' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 632' ' ' 17F . . . . . 0.54 ' O10' ' C4 ' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 201' ' ' GSP . . . . . 0.643 ' O3G' 'MG ' ' B' ' 202' ' ' ' MG' . . . . . . . . 0 O4'--C1' 1.438 2.026 2 O4'-C1'-N19 112.928 4.728 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 202' ' ' ' MG' . . . . . 0.643 'MG ' ' O3G' ' B' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 203' ' ' PCW . . . . . 0.509 ' C11' ' O31' ' B' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 204' ' ' PCW . . . . . 0.68 ' C21' ' C17' ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 205' ' ' PCW . . . . . 0.641 ' C21' ' C25' ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 206' ' ' PCW . . . . . 0.629 ' C21' ' C32' ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 207' ' ' PCW . . . . . 0.613 ' O31' ' C6 ' ' A' ' 401' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 208' ' ' PCW . . . . . 0.628 ' C43' ' C47' ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 209' ' ' 17F . . . . . 0.575 ' O5 ' ' C7 ' ' A' ' 414' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 210' ' ' 17F . . . . . 0.48 ' C24' ' C12' ' B' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 211' ' ' 17F . . . . . 0.537 ' N1 ' ' O1P' ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 201' ' ' GSP . . . . . 0.606 ' O3G' 'MG ' ' C' ' 202' ' ' ' MG' . . . . . . . . 0 O4'--C1' 1.436 1.832 3 O4'-C1'-N19 113.278 5.078 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 202' ' ' ' MG' . . . . . 0.606 'MG ' ' O3G' ' C' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 203' ' ' PCW . . . . . 0.636 ' C21' ' C25' ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 204' ' ' PCW . . . . . 0.668 ' O1P' ' C3 ' ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 205' ' ' PCW . . . . . 0.542 ' O3 ' ' O31' ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 206' ' ' PCW . . . . . 0.454 ' O4P' ' C8 ' ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 207' ' ' PCW . . . . . 0.52 ' C3 ' ' P ' ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 208' ' ' PCW . . . . . 0.49 ' C23' ' C22' ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 209' ' ' PCW . . . . . 0.667 ' C22' ' C26' ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 210' ' ' PCW . . . . . 0.638 ' C26' ' C22' ' C' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 211' ' ' PCW . . . . . 0.472 ' C5 ' ' C1 ' ' C' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 212' ' ' PCW . . . . . 0.668 ' C20' ' C24' ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 213' ' ' 17F . . . . . 0.549 ' O10' ' C4 ' ' C' ' 213' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 214' ' ' 17F . . . . . 0.554 ' O8 ' ' C5 ' ' C' ' 214' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 215' ' ' 17F . . . . . 0.479 ' C3 ' ' NZ ' ' B' ' 175' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 216' ' ' PCW . . . . . 0.492 ' C1 ' ' O31' ' C' ' 216' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 217' ' ' PCW . . . . . 0.462 ' C35' ' C20' ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 218' ' ' 17F . . . . . 0.571 ' C38' ' C11' ' A' ' 422' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 219' ' ' 17F . . . . . 0.496 ' O1 ' ' O4P' ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 94.6 mt . . . . . 0 CA--C 1.521 -0.144 0 CA-C-O 120.941 0.401 . . . . 10.0 110.572 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 7.1 tmtm? -63.29 -45.52 91.05 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.745 -0.662 . . . . 10.0 111.17 -179.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 73.2 mt -65.6 -39.16 91.26 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.648 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 27.8 mt -63.97 -47.41 80.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.084 -0.507 . . . . 10.0 111.194 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -62.55 -49.62 74.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.726 -0.67 . . . . 10.0 111.308 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -68.28 -27.65 66.51 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.768 -0.651 . . . . 10.0 112.243 -178.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 79.9 t90 -68.18 -35.07 77.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.121 -0.491 . . . . 10.0 109.935 179.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -61.71 -38.81 89.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.386 -0.37 . . . . 10.0 110.526 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 10.5 m -64.01 -30.43 71.5 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.857 179.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 46.3 t -76.05 -45.44 36.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 108.879 -0.785 . . . . 10.0 108.879 178.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 10.9 m -59.89 -42.62 94.2 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.358 -0.837 . . . . 10.0 111.786 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 2.8 p -63.22 -44.6 94.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.988 0.423 . . . . 10.0 109.926 179.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 29.6 m -63.42 -43.95 96.01 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.873 -0.603 . . . . 10.0 109.818 178.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.78 -38.35 84.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.693 179.359 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 21.7 m -65.67 -46.64 78.34 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.167 -0.469 . . . . 10.0 110.256 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -65.38 -37.38 86.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.184 179.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 31.6 mt -63.58 -42.21 98.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.049 -0.523 . . . . 10.0 109.89 178.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 47.7 mtt85 -67.88 -32.3 72.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 10.0 111.157 179.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -71.36 -31.77 67.73 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.377 -0.601 . . . . 10.0 109.377 178.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -79.52 -29.78 41.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.798 -0.637 . . . . 10.0 109.605 178.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 16.2 mt -55.06 -33.3 62.61 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-N 115.877 -0.602 . . . . 10.0 111.065 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -58.31 -69.69 1.2 Allowed Glycine 0 N--CA 1.45 -0.424 0 N-CA-C 110.699 -0.96 . . . . 10.0 110.699 178.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -52.25 -39.48 72.0 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.926 2.417 . . . . 10.0 111.364 178.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 8.8 t -56.82 -51.15 71.2 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 CA-C-O 120.82 0.343 . . . . 10.0 110.346 178.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 11.2 m -64.68 -39.67 94.07 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.513 -0.312 . . . . 10.0 110.299 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -62.14 -53.84 49.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.941 179.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -64.94 -43.02 94.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 10.0 111.472 -179.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -65.1 -48.2 74.53 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.87 0.322 . . . . 10.0 111.87 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 1.6 t-105 -65.71 -32.94 74.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.577 -0.283 . . . . 10.0 111.066 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -60.71 -45.4 94.36 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 178.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -71.37 -35.26 71.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.762 -0.654 . . . . 10.0 110.048 178.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 51.4 mt -61.39 -41.77 97.66 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.67 -0.492 . . . . 10.0 109.67 178.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -64.26 -31.59 72.85 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.188 178.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 74.1 mttt -71.15 -43.6 67.24 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.632 -0.507 . . . . 10.0 109.632 178.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -63.98 -45.83 87.33 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.117 179.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 10.3 p -66.52 -39.21 88.52 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.301 179.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -61.79 -44.68 96.39 Favored 'General case' 0 C--O 1.231 0.124 0 N-CA-C 109.457 -0.572 . . . . 10.0 109.457 178.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -60.05 -43.96 97.74 Favored Glycine 0 N--CA 1.445 -0.757 0 N-CA-C 109.923 -1.271 . . . . 10.0 109.923 178.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 79.0 mt -66.43 -26.73 67.36 Favored 'General case' 0 C--O 1.224 -0.276 0 CA-C-N 115.638 -0.281 . . . . 10.0 110.794 178.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 63.5 mtt180 -69.11 -45.62 69.74 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 108.58 -0.896 . . . . 10.0 108.58 178.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -67.14 -41.75 85.58 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 108.667 -0.864 . . . . 10.0 108.667 178.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -62.31 -38.99 91.55 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-N 114.98 -1.009 . . . . 10.0 111.002 179.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 3.2 mtm -58.1 -29.56 65.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.667 0.27 . . . . 10.0 110.875 179.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 1.9 m -70.62 -0.89 9.59 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-O 121.285 0.564 . . . . 10.0 110.759 179.113 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -131.11 -56.59 1.03 Allowed 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.36 -0.608 . . . . 10.0 109.36 178.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 246' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -57.09 -37.72 72.31 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.671 -0.695 . . . . 10.0 111.631 -179.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.49 -35.81 9.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 10.0 111.408 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -69.1 -43.19 74.96 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.738 -0.385 . . . . 10.0 111.686 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -73.18 -31.11 64.01 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 121.08 -0.248 . . . . 10.0 110.558 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 250' ' ' VAL . . . . . . . . . . . . . 1.6 p -63.78 -31.79 54.46 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.122 0 C-N-CA 120.485 -0.486 . . . . 10.0 109.888 179.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 66.0 mttt -82.17 -44.6 16.23 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.789 -0.641 . . . . 10.0 110.175 179.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -61.23 -43.71 98.43 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.388 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 24.9 mtpt -79.84 -18.41 50.85 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.918 -0.583 . . . . 10.0 111.851 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 254' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -66.28 -26.75 38.71 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 C-N-CA 120.686 -0.405 . . . . 10.0 110.215 179.461 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -60.57 -61.53 7.77 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 115.801 -0.636 . . . . 10.0 111.382 179.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -67.88 -28.42 36.07 Favored 'Trans proline' 0 C--N 1.355 0.901 0 C-N-CA 121.724 1.616 . . . . 10.0 111.697 179.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 6.7 m-30 -66.42 -55.23 16.73 Favored 'General case' 0 N--CA 1.46 0.053 0 CA-C-O 121.019 0.437 . . . . 10.0 110.315 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 55.5 mt -69.18 -31.6 70.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.167 -0.47 . . . . 10.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -61.34 -43.92 98.05 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.748 -0.464 . . . . 10.0 109.748 179.062 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -66.06 -54.49 25.17 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.104 179.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -56.23 -40.59 74.35 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.629 -0.714 . . . . 10.0 111.948 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -61.85 -47.26 85.83 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.012 -0.366 . . . . 10.0 110.012 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 16.5 mtmt -66.39 -35.03 79.29 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 110.294 -0.262 . . . . 10.0 110.294 179.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 264' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -63.46 -56.83 12.99 Favored 'General case' 0 CA--C 1.518 -0.255 0 N-CA-C 109.048 -0.723 . . . . 10.0 109.048 178.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 83.4 m95 -61.08 -32.16 71.82 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.566 179.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -61.76 -54.27 44.71 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 109.335 -0.617 . . . . 10.0 109.335 178.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -60.85 -37.34 81.75 Favored 'General case' 0 N--CA 1.456 -0.139 0 CA-C-N 116.229 -0.441 . . . . 10.0 109.903 179.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -59.66 -46.96 87.45 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.867 -0.606 . . . . 10.0 109.546 178.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 22.1 mmt -67.27 -40.89 86.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.746 -0.661 . . . . 10.0 110.227 179.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -57.29 -55.74 30.86 Favored 'General case' 0 CA--C 1.519 -0.231 0 N-CA-C 109.91 -0.404 . . . . 10.0 109.91 179.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 37.4 mt -59.4 -42.42 91.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.826 -0.624 . . . . 10.0 110.759 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.13 -27.62 66.6 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.752 0.279 . . . . 10.0 111.752 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 84.9 mtt180 -83.65 -33.06 25.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.894 0.378 . . . . 10.0 111.288 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -77.77 -27.04 50.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.321 0.581 . . . . 10.0 109.499 178.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 275' ' ' LYS . . . . . . . . . . . . . 53.2 mttp -91.15 -24.13 20.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.482 -0.781 . . . . 10.0 111.769 178.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 5.2 p -62.18 -30.38 48.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 O-C-N 122.085 -0.385 . . . . 10.0 110.893 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -62.52 -59.65 12.2 Favored Pre-proline 0 CA--C 1.535 0.368 0 CA-C-N 116.415 -0.357 . . . . 10.0 111.539 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_endo -62.11 -38.61 55.1 Favored 'Trans proline' 0 C--N 1.356 0.973 0 C-N-CA 121.689 1.592 . . . . 10.0 111.655 178.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 20.8 mt -60.74 -46.4 90.6 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.009 0.433 . . . . 10.0 110.383 179.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 -68.32 -31.95 71.74 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.076 -0.511 . . . . 10.0 109.858 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -65.5 -46.21 80.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.045 -0.525 . . . . 10.0 109.759 178.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -62.14 -44.55 96.38 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.367 -0.605 . . . . 10.0 109.367 178.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 34.8 mt -62.35 -44.2 97.03 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.381 -0.827 . . . . 10.0 110.866 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -66.3 -46.86 75.48 Favored 'General case' 0 C--O 1.234 0.249 0 O-C-N 123.063 0.227 . . . . 10.0 111.422 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -62.52 -48.42 79.63 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 109.544 -0.539 . . . . 10.0 109.544 179.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -61.04 -37.71 94.34 Favored Glycine 0 N--CA 1.447 -0.592 0 N-CA-C 111.097 -0.801 . . . . 10.0 111.097 178.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -62.35 -46.55 88.14 Favored 'General case' 0 CA--C 1.515 -0.376 0 N-CA-C 109.616 -0.513 . . . . 10.0 109.616 178.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 68.7 mtt180 -58.93 -47.52 84.77 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-O 121.034 0.445 . . . . 10.0 109.917 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.43 -54.64 43.2 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.186 -0.916 . . . . 10.0 110.937 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 65.0 mttt -63.4 -38.67 92.03 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.184 -0.462 . . . . 10.0 112.162 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 17.3 mt -68.67 -42.69 77.52 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.095 -0.335 . . . . 10.0 110.095 179.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.72 -40.35 94.74 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.479 -0.563 . . . . 10.0 109.479 178.783 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.07 -41.52 98.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.877 -0.601 . . . . 10.0 109.828 178.395 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 79.9 mt -67.2 -43.76 81.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.65 -0.705 . . . . 10.0 110.403 179.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -63.33 -33.83 76.37 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.16 0.505 . . . . 10.0 110.256 179.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -64.78 -15.06 61.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.505 -0.771 . . . . 10.0 110.587 178.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 10.5 mmtp -109.65 -34.34 6.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.012 178.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 79.3 mt -63.6 -25.74 68.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.322 -0.399 . . . . 10.0 111.578 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 299' ' ' SER . . . . . . . . . . . . . 3.7 m -80.2 -67.49 0.23 Allowed Pre-proline 0 CA--C 1.536 0.417 0 N-CA-C 112.456 0.539 . . . . 10.0 112.456 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 300' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -65.95 -54.08 0.6 Allowed 'Trans proline' 0 C--N 1.359 1.084 0 C-N-CA 121.792 1.661 . . . . 10.0 112.26 -179.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 94.4 mt -64.66 -29.05 70.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.947 0.404 . . . . 10.0 110.01 179.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -66.83 -53.28 28.17 Favored Glycine 0 N--CA 1.448 -0.516 0 N-CA-C 110.883 -0.887 . . . . 10.0 110.883 178.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -64.75 -34.23 77.85 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.159 0.504 . . . . 10.0 109.685 178.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -62.16 -43.64 98.37 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.695 -0.854 . . . . 10.0 108.695 177.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 16.1 tpt -66.38 -38.75 88.22 Favored 'General case' 0 C--O 1.22 -0.46 0 CA-C-N 115.732 -0.667 . . . . 10.0 109.514 178.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -61.84 -43.86 98.0 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.139 179.271 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -69.32 -43.85 72.9 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 116.059 -0.518 . . . . 10.0 110.592 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 15.3 mmt180 -63.08 -35.76 81.34 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.735 -0.468 . . . . 10.0 109.735 178.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -65.99 -35.69 81.25 Favored 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 108.92 -0.77 . . . . 10.0 108.92 178.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 310' ' ' ARG . . . . . . . . . . . . . 78.4 mtt180 -58.63 -52.19 66.73 Favored 'General case' 0 CA--C 1.518 -0.251 0 N-CA-C 108.509 -0.923 . . . . 10.0 108.509 178.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -63.89 -38.65 91.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.599 -0.728 . . . . 10.0 110.348 179.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -56.13 -50.62 70.58 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.875 179.518 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 9.7 t -78.82 -34.02 16.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.383 -179.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -60.35 -49.3 78.12 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 109.908 -0.405 . . . . 10.0 109.908 178.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -64.22 -31.53 72.76 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 109.31 -0.626 . . . . 10.0 109.31 178.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 10.7 mt -68.56 -47.0 67.97 Favored 'General case' 0 C--O 1.219 -0.545 0 CA-C-N 115.68 -0.691 . . . . 10.0 109.945 178.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 31.4 mtt85 -61.75 -40.38 94.91 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.789 0.328 . . . . 10.0 110.131 179.366 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 27.8 m -63.24 -26.98 69.04 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.679 -0.692 . . . . 10.0 110.549 179.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 14.4 m80 -91.74 -42.43 10.14 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.314 179.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 89.2 mt -62.56 -28.9 70.19 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.354 0.501 . . . . 10.0 112.354 -179.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -57.56 -63.24 3.99 Favored Pre-proline 0 C--O 1.237 0.41 0 N-CA-C 111.528 0.196 . . . . 10.0 111.528 179.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -66.43 -32.53 40.15 Favored 'Trans proline' 0 C--N 1.356 0.958 0 C-N-CA 121.306 1.337 . . . . 10.0 110.999 178.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -59.27 -51.14 71.23 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.315 -0.402 . . . . 10.0 111.094 179.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 34.1 p -68.69 -39.43 80.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.42 -0.354 . . . . 10.0 110.972 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -62.02 -40.97 97.51 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.917 0.389 . . . . 10.0 110.374 179.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -69.3 -35.61 76.17 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.223 -0.658 . . . . 10.0 109.223 178.024 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 28.7 mt -62.81 -35.68 80.67 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.493 -0.558 . . . . 10.0 109.493 178.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 65.7 mtt180 -61.98 -42.69 99.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.675 -0.693 . . . . 10.0 109.591 178.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -66.48 -42.97 86.68 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.921 -0.77 . . . . 10.0 108.921 178.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 22.0 mtt-85 -59.83 -47.81 84.22 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.126 -0.943 . . . . 10.0 110.154 178.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 79.7 mt -63.7 -39.37 94.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.54 179.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -62.68 -40.06 95.91 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.995 -0.372 . . . . 10.0 109.995 179.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -72.07 -42.94 65.62 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.95 -0.568 . . . . 10.0 110.017 178.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -60.17 -49.58 77.05 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 115.95 -0.568 . . . . 10.0 109.769 178.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 79.4 mt -64.29 -33.66 76.33 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.695 -0.684 . . . . 10.0 110.751 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -66.02 -48.66 70.39 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.597 -0.52 . . . . 10.0 109.597 178.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -61.41 -41.66 97.51 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.093 -0.706 . . . . 10.0 109.093 178.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 34.7 mt -64.32 -33.12 75.1 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-N 115.662 -0.699 . . . . 10.0 111.003 178.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 45.6 mttt -78.04 -44.79 25.44 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.755 -0.202 . . . . 10.0 110.797 179.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -62.24 -54.63 38.03 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.042 -0.527 . . . . 10.0 110.46 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -72.44 -32.33 66.2 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.966 -0.561 . . . . 10.0 109.938 179.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -62.94 -46.07 94.33 Favored Glycine 0 CA--C 1.507 -0.468 0 N-CA-C 111.56 -0.616 . . . . 10.0 111.56 179.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -60.63 -35.74 90.08 Favored Glycine 0 N--CA 1.452 -0.297 0 N-CA-C 110.755 -0.938 . . . . 10.0 110.755 178.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -69.24 -45.2 70.35 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.004 -0.739 . . . . 10.0 109.004 178.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 31.0 mtm180 -61.3 -39.59 91.02 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 115.788 -0.642 . . . . 10.0 110.283 179.027 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 43.5 mt -61.65 -50.44 72.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 10.0 109.852 178.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.13 -42.43 98.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.331 179.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -66.61 -46.65 75.18 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.99 179.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -60.9 -37.35 81.91 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.88 179.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -62.96 -43.11 99.7 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.569 -0.53 . . . . 10.0 109.569 178.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -64.83 -47.5 77.77 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.796 -0.638 . . . . 10.0 109.733 178.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 21.4 mttm -60.67 -38.52 85.2 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.712 -0.676 . . . . 10.0 110.719 179.269 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.41 -39.35 85.52 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.236 -0.438 . . . . 10.0 109.843 179.044 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 93.8 m -64.95 -43.19 93.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.134 179.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -62.17 -37.02 83.65 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 108.948 -0.76 . . . . 10.0 108.948 178.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -68.01 -33.13 74.03 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 115.185 -0.916 . . . . 10.0 109.33 178.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 74.7 mt -70.67 -39.88 73.3 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.266 178.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 15.6 m -59.65 -43.74 93.78 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 121.153 0.501 . . . . 10.0 109.784 178.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 1.1 p -76.87 -28.41 55.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.806 -0.633 . . . . 10.0 110.502 179.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 43.0 tp -66.03 -30.42 70.95 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 108.911 -0.774 . . . . 10.0 108.911 178.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 14.9 m -65.49 -29.48 70.14 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.564 -0.744 . . . . 10.0 109.385 178.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -70.71 -20.42 62.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.742 -0.663 . . . . 10.0 109.837 178.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 363' ' ' LYS . . . . . . . . . . . . . 79.7 mttt -94.71 -39.08 10.49 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.493 -0.776 . . . . 10.0 109.675 179.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -74.35 -24.94 59.25 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.759 -0.655 . . . . 10.0 112.528 -179.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 82.7 mttt -110.26 -76.96 0.01 OUTLIER Pre-proline 0 CA--C 1.538 0.495 0 N-CA-C 112.859 0.688 . . . . 10.0 112.859 179.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -57.18 -49.7 13.33 Favored 'Trans proline' 0 C--N 1.357 1.014 0 C-N-CA 121.972 1.781 . . . . 10.0 113.522 -179.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 367' ' ' ALA . . . . . . . . . . . . . . . -63.11 -54.09 43.29 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.626 0.232 . . . . 10.0 111.626 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 11.9 mt -58.19 -40.1 80.65 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 111.696 0.258 . . . . 10.0 111.696 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 56.8 tt0 -64.73 -51.12 64.06 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.98 -0.378 . . . . 10.0 109.98 179.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -59.12 -36.7 75.66 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.088 0.471 . . . . 10.0 109.743 179.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 61.3 mt -63.07 -52.8 61.32 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.752 -0.658 . . . . 10.0 109.867 178.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -62.27 -41.23 98.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.051 -0.522 . . . . 10.0 111.447 -179.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -62.06 -31.11 71.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.947 0.403 . . . . 10.0 110.972 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -89.66 -32.75 9.8 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.699 -0.762 . . . . 10.0 111.596 179.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 20.7 mt -68.0 -35.41 78.27 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.785 0.291 . . . . 10.0 111.785 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 31.4 mt -52.35 -61.02 5.07 Favored Pre-proline 0 CA--C 1.535 0.4 0 N-CA-C 112.075 0.398 . . . . 10.0 112.075 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -61.66 -35.71 79.03 Favored 'Trans proline' 0 C--N 1.359 1.093 0 C-N-CA 121.71 1.607 . . . . 10.0 111.872 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 35.8 t -61.69 -45.15 99.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 N-CA-C 109.85 -0.426 . . . . 10.0 109.85 179.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 87.4 mt -62.42 -35.4 79.13 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 115.965 -0.562 . . . . 10.0 109.929 178.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -63.15 -47.51 82.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.029 179.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.38 -32.24 73.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.211 0.529 . . . . 10.0 110.03 179.036 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -64.3 -43.17 95.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.533 -0.758 . . . . 10.0 109.669 178.644 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -62.62 -40.49 97.13 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.187 179.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 84.2 t -62.97 -48.03 89.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.786 179.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 2.5 p -68.88 -33.83 74.42 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.405 -0.361 . . . . 10.0 111.259 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -71.0 -44.56 65.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.591 -0.277 . . . . 10.0 111.056 179.368 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 34.8 mt -60.02 -45.04 94.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.356 -0.384 . . . . 10.0 110.58 179.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 3.2 p -67.59 -35.97 79.99 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.65 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -63.55 -42.94 98.34 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.429 -0.35 . . . . 10.0 110.071 179.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 96.6 mt -61.3 -37.07 81.87 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.079 0.466 . . . . 10.0 109.832 179.014 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -68.91 -44.46 73.11 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.242 -0.651 . . . . 10.0 109.242 178.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -54.99 -40.97 70.65 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.844 179.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -66.59 -53.99 28.33 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.236 179.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 23.2 m -60.46 -40.44 91.21 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 112.218 0.451 . . . . 10.0 112.218 -179.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -62.44 -28.61 69.93 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 112.94 0.719 . . . . 10.0 112.94 -179.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -108.29 -21.09 12.91 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 113.472 0.916 . . . . 10.0 113.472 -178.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 39.6 mt -94.25 -14.76 25.17 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.064 0.394 . . . . 10.0 112.064 -179.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 63.3 t30 . . . . . 0 C--N 1.324 -0.514 0 CA-C-O 120.82 0.343 . . . . 10.0 110.783 179.986 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 3.4 mm? . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.947 0.403 . . . . 10.0 110.716 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -112.96 26.29 10.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.326 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 67.5 mt -63.07 -45.23 93.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.004 -0.544 . . . . 10.0 111.096 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 54.8 mt -66.63 -35.66 80.7 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.213 -0.449 . . . . 10.0 110.584 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -61.4 -48.91 79.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.432 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -72.5 -39.52 67.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.903 -0.59 . . . . 10.0 111.095 -179.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -64.59 -37.34 87.22 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.988 -179.607 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -61.04 -36.77 80.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.422 -0.354 . . . . 10.0 110.977 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.42 -39.58 94.88 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 108.915 -0.772 . . . . 10.0 108.915 178.72 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 30.7 t -68.06 -36.31 74.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 CA-C-N 115.442 -0.799 . . . . 10.0 109.483 179.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 9.0 m -63.38 -38.45 91.21 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 109.275 -0.639 . . . . 10.0 109.275 178.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 16.6 m -65.77 -42.35 90.93 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.988 -0.551 . . . . 10.0 109.519 178.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 26.8 m -64.18 -39.27 93.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.099 -0.501 . . . . 10.0 110.23 178.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -61.74 -41.32 97.51 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.313 -0.625 . . . . 10.0 109.313 178.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 41.5 m -65.44 -40.86 93.79 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.458 -0.792 . . . . 10.0 110.059 178.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 51.8 mmtt -65.14 -32.33 73.96 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-O 121.028 0.442 . . . . 10.0 110.385 178.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 85.2 mt -65.94 -39.56 90.58 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 108.747 -0.834 . . . . 10.0 108.747 178.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 70.5 mtt180 -69.64 -35.95 75.67 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.816 -0.629 . . . . 10.0 109.92 179.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -64.78 -21.58 66.8 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.98 -0.554 . . . . 10.0 109.717 178.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -89.23 -44.55 10.2 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.492 -0.929 . . . . 10.0 108.492 177.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 82.5 mt -48.32 -55.2 11.29 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 115.329 -0.851 . . . . 10.0 111.949 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -47.87 -71.72 0.53 Allowed Glycine 0 CA--C 1.523 0.554 0 O-C-N 123.493 0.496 . . . . 10.0 113.738 -179.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -58.97 -45.18 29.87 Favored 'Trans proline' 0 CA--C 1.532 0.398 0 C-N-CA 122.838 2.359 . . . . 10.0 113.035 179.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 51.9 t -60.38 -46.88 94.45 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.201 0 N-CA-C 112.934 0.716 . . . . 10.0 112.934 -178.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 28.6 p -61.59 -40.25 94.11 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.726 -0.39 . . . . 10.0 111.181 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -58.85 -51.57 69.43 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.021 0.439 . . . . 10.0 110.52 179.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -72.38 -29.47 63.79 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.552 -0.459 . . . . 10.0 111.433 179.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -67.87 -41.31 83.05 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 109.545 -0.539 . . . . 10.0 109.545 178.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 6.3 m0 -62.26 -49.09 77.08 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 115.858 -0.61 . . . . 10.0 109.426 178.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -62.87 -35.09 78.86 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.603 -0.518 . . . . 10.0 109.603 178.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -63.84 -46.28 85.74 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 108.914 -0.772 . . . . 10.0 108.914 177.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 95.6 mt -65.15 -36.38 84.05 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.595 -0.729 . . . . 10.0 110.191 179.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -62.74 -37.57 87.09 Favored 'General case' 0 CA--C 1.521 -0.15 0 N-CA-C 110.094 -0.335 . . . . 10.0 110.094 178.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 42.6 mttp -64.7 -35.93 82.63 Favored 'General case' 0 CA--C 1.519 -0.215 0 N-CA-C 108.817 -0.809 . . . . 10.0 108.817 177.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -69.54 -47.89 62.22 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.356 -0.838 . . . . 10.0 110.629 179.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.76 -42.99 99.94 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 121.017 -0.273 . . . . 10.0 110.682 179.496 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -65.6 -44.83 85.4 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.595 -0.275 . . . . 10.0 110.338 178.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -62.14 -44.91 97.08 Favored Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 110.409 -1.076 . . . . 10.0 110.409 178.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 10.5 mt -61.2 -38.11 85.39 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.736 -0.468 . . . . 10.0 109.736 178.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 55.4 mtt180 -66.52 -31.23 71.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.523 -0.308 . . . . 10.0 111.014 179.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -68.65 -29.82 68.38 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-O 121.278 0.561 . . . . 10.0 109.666 178.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -85.93 -49.2 8.04 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.515 -0.766 . . . . 10.0 110.032 179.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 97.9 mmm -60.39 -29.82 69.19 Favored 'General case' 0 CA--C 1.522 -0.125 0 CA-C-N 115.639 -0.709 . . . . 10.0 112.775 -178.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 3.0 p -62.93 -56.68 15.09 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.026 -0.731 . . . . 10.0 109.026 178.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 59.1 tttp -63.26 -39.83 95.7 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.57 -0.741 . . . . 10.0 109.497 178.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -58.08 -53.89 53.14 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.496 -0.774 . . . . 10.0 111.671 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 67.7 mt -73.08 -44.0 61.1 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 113.339 0.866 . . . . 10.0 113.339 -178.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -64.75 -43.14 94.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.854 0.359 . . . . 10.0 111.326 -179.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 447' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -75.73 -29.06 58.77 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.459 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.64 -28.33 44.77 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.194 0 CA-C-O 120.767 0.317 . . . . 10.0 110.184 179.421 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -64.29 -42.43 96.39 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 108.263 -1.014 . . . . 10.0 108.263 178.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -81.42 7.49 11.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.496 -0.775 . . . . 10.0 110.571 179.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 48.9 mttm -113.89 -45.7 3.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.365 179.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 87.3 t -69.38 -35.91 69.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 CA-C-N 116.152 -0.476 . . . . 10.0 111.04 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -58.92 -59.2 14.58 Favored Pre-proline 0 C--N 1.325 -0.468 0 N-CA-C 112.231 0.456 . . . . 10.0 112.231 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -67.33 -23.17 44.91 Favored 'Trans proline' 0 C--N 1.356 0.962 0 C-N-CA 121.952 1.768 . . . . 10.0 110.979 178.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -68.62 -51.65 39.99 Favored 'General case' 0 CA--C 1.516 -0.347 0 N-CA-C 109.107 -0.701 . . . . 10.0 109.107 179.266 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 44.3 mt -68.28 -27.88 66.71 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.622 -0.717 . . . . 10.0 110.423 179.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -68.59 -50.75 49.18 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.482 -0.562 . . . . 10.0 109.482 178.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 458' ' ' ASP . . . . . 0.427 ' CG ' ' HZ2' ' D' ' 462' ' ' LYS . 33.0 t70 -63.83 -37.76 88.58 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 121.286 0.565 . . . . 10.0 109.584 178.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -67.85 -39.91 83.76 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.736 -0.665 . . . . 10.0 110.114 178.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -65.16 -37.92 88.9 Favored 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 109.468 -0.567 . . . . 10.0 109.468 178.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 64.9 mttt -58.37 -46.33 86.55 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.817 -0.808 . . . . 10.0 108.817 178.003 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 462' ' ' LYS . . . . . 0.427 ' HZ2' ' CG ' ' D' ' 458' ' ' ASP . 10.8 mtmm -65.87 -38.83 89.83 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.287 -0.87 . . . . 10.0 110.271 178.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 24.6 m0 -65.92 -39.31 90.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.362 -0.381 . . . . 10.0 110.073 178.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -63.53 -47.45 81.59 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 108.384 -0.969 . . . . 10.0 108.384 178.122 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 465' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -58.73 -49.75 76.46 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.424 -0.807 . . . . 10.0 109.897 178.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -45.14 94.32 Favored 'General case' 0 C--N 1.331 -0.214 0 O-C-N 123.453 0.471 . . . . 10.0 111.637 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 58.2 mtm -61.03 -41.15 96.03 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.813 -0.44 . . . . 10.0 109.813 178.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -68.06 -42.21 80.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 10.0 109.756 178.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 469' ' ' LEU . . . . . . . . . . . . . 64.9 mt -61.56 -44.3 97.29 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.138 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 20.1 m-30 -61.5 -32.75 72.79 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.697 179.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 45.1 mtt180 -71.08 -24.73 62.37 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.381 -0.372 . . . . 10.0 110.147 178.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -102.94 3.26 36.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.919 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 473' ' ' LYS . . . . . . . . . . . . . 51.6 mttm -127.18 -75.51 0.58 Allowed 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 116.117 -0.492 . . . . 10.0 111.19 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 46.0 t -57.71 -43.36 83.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 N-CA-C 111.851 0.315 . . . . 10.0 111.851 -179.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -59.85 -59.38 14.02 Favored Pre-proline 0 CA--C 1.537 0.459 0 N-CA-C 112.977 0.732 . . . . 10.0 112.977 -179.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -64.56 -35.75 46.5 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 121.605 1.537 . . . . 10.0 111.173 178.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 21.5 mt -66.98 -27.61 67.58 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 116.469 -0.332 . . . . 10.0 110.763 179.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 9.6 ttt180 -62.4 -41.3 98.57 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.995 -0.743 . . . . 10.0 108.995 178.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -75.18 -36.61 61.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.584 -0.735 . . . . 10.0 110.084 179.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -65.67 -45.83 81.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.978 -0.555 . . . . 10.0 109.607 179.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 90.6 mt -70.96 -30.17 66.38 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.959 -0.564 . . . . 10.0 109.638 178.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 47.4 tp60 -66.2 -43.39 86.88 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 109.327 -0.62 . . . . 10.0 109.327 178.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -63.56 -41.42 98.41 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 108.548 -0.908 . . . . 10.0 108.548 178.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -66.02 -38.41 94.06 Favored Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 110.623 -0.991 . . . . 10.0 110.623 178.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -65.99 -39.72 90.57 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.434 -0.58 . . . . 10.0 109.434 178.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 75.2 mtt180 -64.44 -43.98 92.6 Favored 'General case' 0 CA--C 1.514 -0.406 0 N-CA-C 108.335 -0.987 . . . . 10.0 108.335 178.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -59.81 -45.13 93.31 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.353 -0.84 . . . . 10.0 109.859 178.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 63.8 tttt -66.52 -38.23 86.74 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-N 116.422 -0.354 . . . . 10.0 110.44 179.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.31 -41.69 98.97 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 108.468 -0.938 . . . . 10.0 108.468 178.338 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -62.67 -44.06 97.22 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 108.82 -0.807 . . . . 10.0 108.82 177.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -59.88 -44.78 94.0 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.794 -0.639 . . . . 10.0 109.331 178.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 89.3 mt -68.4 -38.33 81.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.518 -0.765 . . . . 10.0 111.32 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -61.98 -38.3 88.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.302 0.572 . . . . 10.0 109.612 178.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -73.95 4.88 4.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.399 -0.819 . . . . 10.0 110.988 178.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 495' ' ' LYS . . . . . . . . . . . . . 49.6 mttp -121.13 -46.87 2.29 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.643 -0.708 . . . . 10.0 109.754 178.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 18.9 mt -61.05 -25.46 66.94 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.161 -0.472 . . . . 10.0 111.807 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 497' ' ' SER . . . . . . . . . . . . . 1.9 m -81.06 -64.5 0.28 Allowed Pre-proline 0 CA--C 1.542 0.66 0 C-N-CA 120.748 -0.381 . . . . 10.0 111.698 179.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 498' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -66.01 -49.08 2.27 Favored 'Trans proline' 0 C--N 1.357 1.012 0 C-N-CA 121.907 1.738 . . . . 10.0 112.474 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 499' ' ' LEU . . . . . . . . . . . . . 40.7 mt -71.86 -29.11 64.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.823 0.344 . . . . 10.0 110.09 179.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -64.79 -51.8 48.28 Favored Glycine 0 N--CA 1.448 -0.507 0 N-CA-C 109.905 -1.278 . . . . 10.0 109.905 178.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -65.63 -32.97 74.83 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 109.722 -0.473 . . . . 10.0 109.722 178.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 502' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -65.4 -46.64 79.24 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.798 -0.637 . . . . 10.0 109.92 179.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 89.2 mmm -61.99 -36.93 82.98 Favored 'General case' 0 CA--C 1.52 -0.182 0 N-CA-C 109.286 -0.635 . . . . 10.0 109.286 178.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -63.68 -44.58 93.3 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-N 115.61 -0.723 . . . . 10.0 109.222 177.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.16 -42.82 96.59 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.275 179.069 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 506' ' ' ARG . . . . . . . . . . . . . 56.4 mtt180 -59.09 -48.14 82.68 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 108.801 -0.814 . . . . 10.0 108.801 178.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -60.69 -40.1 90.93 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.669 -0.696 . . . . 10.0 110.309 179.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 508' ' ' ARG . . . . . . . . . . . . . 78.3 mtt180 -59.04 -45.94 89.47 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.501 -0.555 . . . . 10.0 109.501 178.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -63.58 -38.41 91.01 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.353 -0.84 . . . . 10.0 110.955 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 68.2 m-70 -70.34 -48.22 57.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.44 -0.346 . . . . 10.0 110.513 179.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 70.8 t -63.12 -45.21 99.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.361 -0.382 . . . . 10.0 110.744 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -62.27 -37.2 84.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.086 0.47 . . . . 10.0 110.671 179.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -66.63 -42.06 87.32 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.842 -0.799 . . . . 10.0 108.842 178.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 514' ' ' LEU . . . . . . . . . . . . . 97.8 mt -60.48 -26.21 66.63 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.638 179.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 515' ' ' ARG . . . . . . . . . . . . . 76.7 mtt180 -68.56 -24.12 64.58 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.926 -0.398 . . . . 10.0 109.926 178.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -108.2 -4.76 17.31 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.349 0.595 . . . . 10.0 109.981 179.37 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 27.4 m170 -105.41 -69.37 0.82 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.678 -0.692 . . . . 10.0 111.562 -179.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 38.1 mt -74.3 -46.19 42.65 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.858 0.688 . . . . 10.0 112.858 -178.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 519' ' ' ALA . . . . . . . . . . . . . . . -54.29 -57.92 16.19 Favored Pre-proline 0 N--CA 1.467 0.388 0 N-CA-C 113.235 0.828 . . . . 10.0 113.235 -179.122 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 520' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -64.16 -34.98 55.14 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 121.937 1.758 . . . . 10.0 110.904 179.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -65.0 -32.18 73.78 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.021 179.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 41.8 m -65.94 -34.02 77.15 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 109.162 -0.681 . . . . 10.0 109.162 178.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -71.91 -41.18 68.22 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-N 115.698 -0.683 . . . . 10.0 109.308 178.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -67.16 -32.23 73.18 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 109.146 -0.687 . . . . 10.0 109.146 178.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 22.6 mt -67.04 -34.01 76.76 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-N 115.63 -0.714 . . . . 10.0 109.368 177.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 526' ' ' ARG . . . . . . . . . . . . . 72.8 mtt180 -62.46 -37.72 87.04 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.076 -0.511 . . . . 10.0 109.839 178.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -63.06 -39.78 95.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.536 0.684 . . . . 10.0 109.796 179.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 528' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 -75.03 -48.12 25.61 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.014 -0.994 . . . . 10.0 110.223 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 69.7 mt -58.38 -37.77 75.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.924 179.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -61.35 -40.69 95.21 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.892 0.377 . . . . 10.0 110.076 178.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -70.8 -43.45 68.64 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.011 -0.54 . . . . 10.0 109.728 179.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -59.52 -47.14 86.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.438 -0.801 . . . . 10.0 110.02 179.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 71.6 mt -67.31 -36.49 81.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.901 -0.591 . . . . 10.0 110.665 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -62.13 -45.79 91.91 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 109.483 -0.562 . . . . 10.0 109.483 179.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -63.58 -39.36 94.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.55 -0.75 . . . . 10.0 109.461 178.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 54.0 mt -66.48 -34.44 77.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.855 -0.611 . . . . 10.0 110.815 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -74.46 -42.3 59.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.649 179.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -64.3 -44.32 92.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.526 0.679 . . . . 10.0 109.564 179.189 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -70.94 -34.59 71.62 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.615 -0.72 . . . . 10.0 109.549 178.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -66.66 -46.55 74.96 Favored Glycine 0 CA--C 1.508 -0.38 0 N-CA-C 111.283 -0.727 . . . . 10.0 111.283 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -59.41 -38.85 94.05 Favored Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 110.606 -0.998 . . . . 10.0 110.606 178.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -69.09 -45.09 71.14 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.4 -0.593 . . . . 10.0 109.4 178.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 56.5 mtt85 -63.51 -29.66 70.9 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 115.871 -0.604 . . . . 10.0 111.4 179.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 61.3 mt -66.64 -29.66 69.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.443 0.64 . . . . 10.0 109.354 178.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -81.1 -42.9 20.26 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 108.411 -0.959 . . . . 10.0 108.411 178.119 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -61.19 -47.37 86.46 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.523 -0.762 . . . . 10.0 109.668 178.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -62.83 -40.65 98.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.35 179.266 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -63.92 -43.25 96.47 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.435 -0.58 . . . . 10.0 109.435 178.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -64.01 -49.76 71.18 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.438 -0.801 . . . . 10.0 109.093 178.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.09 -40.43 85.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.996 179.68 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -63.2 -37.42 87.16 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.342 -0.614 . . . . 10.0 109.342 178.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 42.9 m -67.39 -47.49 70.17 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.889 -0.782 . . . . 10.0 108.889 178.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -60.29 -40.72 91.46 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.813 -0.63 . . . . 10.0 110.386 179.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 79.5 t60 -68.46 -41.64 79.91 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.749 -0.66 . . . . 10.0 109.86 179.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 20.8 tp -62.97 -40.27 97.2 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.307 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 1.2 p -65.0 -38.73 91.92 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.586 -0.279 . . . . 10.0 110.495 179.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 3.8 p -75.43 -31.31 60.31 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 120.855 0.359 . . . . 10.0 110.591 178.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 14.3 mt -62.8 -52.14 64.33 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 115.894 -0.594 . . . . 10.0 109.858 179.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 3.8 p -66.58 -35.63 80.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.447 . . . . 10.0 110.567 179.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -60.61 -32.24 71.38 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.488 -0.778 . . . . 10.0 111.287 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.06 -34.39 10.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.429 . . . . 10.0 111.721 -179.729 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -58.02 -45.05 87.53 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.918 0.34 . . . . 10.0 111.918 -179.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -55.44 -62.39 4.53 Favored Pre-proline 0 CA--C 1.533 0.311 0 N-CA-C 112.473 0.546 . . . . 10.0 112.473 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -63.76 -34.42 61.82 Favored 'Trans proline' 0 C--N 1.354 0.861 0 C-N-CA 121.832 1.688 . . . . 10.0 111.913 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -62.47 -52.82 61.99 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 120.593 0.235 . . . . 10.0 110.399 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 86.5 mt -59.72 -46.55 88.76 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.363 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -58.57 -53.42 58.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.981 -0.554 . . . . 10.0 111.353 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.8 -40.64 97.12 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.17 -0.468 . . . . 10.0 111.396 -179.422 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 38.3 mt -60.58 -44.25 96.41 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 110.081 -0.34 . . . . 10.0 110.081 179.128 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 -68.37 -41.83 80.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.857 0.36 . . . . 10.0 110.045 179.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -62.32 -23.72 66.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.767 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -96.14 -32.7 6.61 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.8 -0.714 . . . . 10.0 111.63 178.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 34.9 mt -66.29 -40.76 90.26 Favored 'General case' 0 C--O 1.224 -0.254 0 C-N-CA 122.413 0.285 . . . . 10.0 111.609 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 92.2 mt -55.64 -61.19 6.64 Favored Pre-proline 0 CA--C 1.536 0.426 0 N-CA-C 112.071 0.397 . . . . 10.0 112.071 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -64.79 -37.94 32.96 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 121.851 1.701 . . . . 10.0 111.754 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.64 -37.16 79.38 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 C-N-CA 121.306 -0.158 . . . . 10.0 111.227 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 29.5 mt -68.65 -39.9 80.47 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 109.477 -0.564 . . . . 10.0 109.477 178.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -65.12 -40.27 94.24 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.295 -0.631 . . . . 10.0 109.295 178.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 20.0 m -65.99 -43.96 86.25 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.209 -0.663 . . . . 10.0 109.209 178.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -60.07 -38.47 82.97 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.809 -0.632 . . . . 10.0 110.025 178.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -57.67 -43.78 85.27 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.479 -0.563 . . . . 10.0 109.479 178.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 88.2 t -61.58 -43.69 97.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.765 -0.652 . . . . 10.0 110.207 179.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 1.1 m -65.07 -43.5 92.0 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.471 179.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -66.53 -48.05 70.98 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.128 -0.487 . . . . 10.0 111.027 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 16.1 mt -56.09 -47.82 77.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.242 -0.435 . . . . 10.0 111.305 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 11.0 p -67.26 -41.4 85.6 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.386 -0.37 . . . . 10.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -62.72 -53.26 57.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.732 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 73.5 mt -60.7 -43.01 98.29 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.023 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -58.25 -53.97 52.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.338 -0.392 . . . . 10.0 110.868 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -67.76 -35.29 78.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.26 -0.427 . . . . 10.0 111.759 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -59.37 -43.45 92.87 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-O 121.021 0.438 . . . . 10.0 110.109 179.03 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 7.4 m -65.71 -19.42 65.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.683 -0.69 . . . . 10.0 110.985 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 82.3 mttt -90.6 -36.71 14.26 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.223 -0.444 . . . . 10.0 109.973 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 8.9 mptt -75.36 -20.63 58.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.715 -0.675 . . . . 10.0 110.618 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 72.2 mt -120.17 32.79 5.86 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.688 -0.687 . . . . 10.0 109.234 178.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 . . . . . 0 C--N 1.324 -0.525 0 CA-C-N 115.42 -0.809 . . . . 10.0 111.26 -179.02 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 15.0 m . . . . . 0 C--O 1.232 0.158 0 CA-C-O 121.076 0.465 . . . . 10.0 110.507 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -102.38 157.41 16.93 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.292 -0.632 . . . . 10.0 109.292 179.561 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -130.66 122.74 27.92 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.685 -0.487 . . . . 10.0 109.685 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 99.8 m-85 -121.35 118.89 30.61 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.931 0.396 . . . . 10.0 111.302 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 48.4 mttm -85.57 118.37 25.05 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.884 -0.598 . . . . 10.0 109.954 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 12.0 mt -118.22 122.59 43.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.357 -0.383 . . . . 10.0 111.098 -178.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 59.3 t -108.68 123.68 64.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 116.436 -0.347 . . . . 10.0 110.191 179.346 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 6.3 t -90.39 107.44 18.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 110.02 -0.363 . . . . 10.0 110.02 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 5.9 m -108.61 152.99 10.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.506 -179.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 152.75 -172.42 31.83 Favored Glycine 0 N--CA 1.445 -0.759 0 CA-C-N 115.526 -0.761 . . . . 10.0 111.446 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.94 -167.04 1.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.099 0.476 . . . . 10.0 111.543 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.5 144.46 30.91 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.846 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.24 3.22 85.24 Favored Glycine 0 N--CA 1.455 -0.099 0 CA-C-N 115.983 -0.553 . . . . 10.0 113.27 179.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 26.8 m -76.43 -19.84 15.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.692 0.282 . . . . 10.0 111.56 -179.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.8 19.88 8.85 Favored Glycine 0 C--N 1.33 0.216 0 C-N-CA 120.478 -0.868 . . . . 10.0 114.117 178.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 1.2 mtmp? -58.52 -34.68 71.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.147 0.499 . . . . 10.0 111.109 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 3.4 m -81.42 -42.59 20.16 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.978 -0.556 . . . . 10.0 110.085 179.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.42 -44.18 76.01 Favored 'General case' 0 C--O 1.234 0.278 0 O-C-N 123.57 0.544 . . . . 10.0 111.066 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 57.4 mt -64.75 -49.12 72.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.046 -0.525 . . . . 10.0 111.135 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 21.8 m -61.72 -42.96 99.65 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.324 -0.398 . . . . 10.0 111.936 -179.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.83 -31.46 53.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.989 0.423 . . . . 10.0 111.221 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -72.17 -14.5 61.83 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.355 -0.384 . . . . 10.0 111.165 179.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 17.6 tp -98.06 -40.33 8.48 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.977 0.418 . . . . 10.0 110.844 179.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 37.1 mm -77.21 -77.1 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.368 -179.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -77.01 -18.76 57.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.82 0.343 . . . . 10.0 111.074 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 66.22 41.17 3.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.885 -0.598 . . . . 10.0 112.564 178.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -140.98 156.47 46.04 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.436 -0.347 . . . . 10.0 110.102 178.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -105.68 138.29 42.11 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.676 0.275 . . . . 10.0 111.482 -179.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 6.7 m -119.85 141.93 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.784 179.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -100.53 -8.51 23.01 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.444 0.64 . . . . 10.0 109.874 179.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -80.44 129.05 34.26 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.116 -0.947 . . . . 10.0 109.931 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -82.22 114.45 20.73 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.96 0.409 . . . . 10.0 110.922 -179.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . 0.447 ' O ' ' S1G' ' B' ' 201' ' ' GSP . 9.4 t70 -117.75 101.16 52.34 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.494 179.397 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -57.93 106.8 0.27 Allowed 'Trans proline' 0 C--O 1.234 0.282 0 C-N-CA 122.797 2.331 . . . . 10.0 111.358 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' THR . . . . . 0.433 ' OG1' ' O3G' ' B' ' 201' ' ' GSP . 0.2 OUTLIER -89.2 114.73 26.08 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 115.764 -0.653 . . . . 10.0 109.885 -179.645 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 38.4 mm -79.68 -49.31 19.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.108 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -170.86 87.44 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.514 -0.766 . . . . 10.0 109.188 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -123.5 139.28 54.17 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.566 -0.288 . . . . 10.0 110.791 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 19.5 p -124.4 157.45 35.08 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 111.937 0.347 . . . . 10.0 111.937 -179.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -135.86 152.38 50.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.443 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -118.8 123.7 45.42 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.158 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 52.6 tttp -138.27 144.82 40.69 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.487 -0.324 . . . . 10.0 110.147 179.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -109.44 123.41 49.32 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.409 -0.359 . . . . 10.0 110.159 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 3.3 m -131.28 162.28 39.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.41 -0.359 . . . . 10.0 110.975 -179.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 2.5 m -104.65 56.22 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 121.289 0.566 . . . . 10.0 111.212 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 20.3 mt -62.72 123.59 15.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.928 -0.578 . . . . 10.0 111.412 -179.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 64.14 16.58 10.11 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.41 -0.814 . . . . 10.0 112.349 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.76 6.22 62.35 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.781 -0.723 . . . . 10.0 112.905 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -120.9 125.36 47.26 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.686 0.279 . . . . 10.0 110.843 179.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.81 120.47 18.48 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.036 0.446 . . . . 10.0 110.204 179.366 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -136.55 153.19 51.06 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.495 -179.535 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 42.4 tp -98.03 129.43 44.89 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.922 -0.581 . . . . 10.0 109.691 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 19.9 mt -102.09 128.33 48.61 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.884 0.374 . . . . 10.0 111.537 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -106.61 83.83 1.92 Allowed 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.005 -1.109 . . . . 10.0 108.005 177.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 61.3 mt -87.56 128.21 40.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.251 -178.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 27.3 tp -122.08 118.6 29.12 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.263 -0.426 . . . . 10.0 111.228 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -98.09 109.5 22.25 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-O 121.118 0.485 . . . . 10.0 110.016 178.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.14 176.68 5.99 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.917 -0.583 . . . . 10.0 111.014 -179.693 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -80.6 151.24 29.17 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.189 0.519 . . . . 10.0 111.924 -178.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -117.88 23.4 9.42 Favored Glycine 0 N--CA 1.45 -0.426 0 N-CA-C 110.32 -1.112 . . . . 10.0 110.32 179.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -89.56 3.49 52.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.418 -0.391 . . . . 10.0 111.132 -179.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 61.83 -159.77 0.31 Allowed 'General case' 0 C--O 1.234 0.284 0 O-C-N 123.328 0.393 . . . . 10.0 110.075 -178.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 58.44 39.84 24.74 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.09 0.471 . . . . 10.0 110.266 179.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -145.17 41.56 1.27 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.866 -179.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.79 -47.06 77.77 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.49 0.552 . . . . 10.0 112.49 -179.358 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -74.75 -25.02 58.81 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.876 0.324 . . . . 10.0 111.876 -179.072 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 20.9 ttt -80.24 -41.18 25.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.981 0.42 . . . . 10.0 110.605 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 11.0 ttp180 -62.31 -34.04 75.83 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.85 -0.614 . . . . 10.0 111.574 -179.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.29 2.39 4.84 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.021 -0.536 . . . . 10.0 112.288 -179.472 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -100.3 -67.25 0.86 Allowed 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 111.968 0.359 . . . . 10.0 111.968 -179.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -62.56 -18.8 62.83 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 112.919 0.711 . . . . 10.0 112.919 -178.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 19.7 mtt -66.13 -26.35 67.41 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-O 121.142 0.496 . . . . 10.0 110.394 179.069 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 -72.25 -43.12 64.8 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.19 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.37 -40.26 62.21 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.891 -0.595 . . . . 10.0 111.973 -179.379 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -57.13 118.54 12.52 Favored Glycine 0 C--N 1.33 0.215 0 C-N-CA 121.177 -0.535 . . . . 10.0 113.826 -179.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -88.84 -38.06 14.89 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.24 0.543 . . . . 10.0 109.699 179.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -121.33 130.53 8.2 Favored Glycine 0 N--CA 1.448 -0.564 0 N-CA-C 110.864 -0.894 . . . . 10.0 110.864 179.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -109.9 121.7 45.85 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.079 0.466 . . . . 10.0 111.522 -179.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 21.6 tp -103.5 101.32 11.2 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.819 -0.628 . . . . 10.0 109.634 179.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 2.9 m -83.95 108.1 16.72 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.855 -179.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 40.8 t -103.79 124.06 57.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.611 -0.722 . . . . 10.0 110.43 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 34.6 p90 -124.23 163.44 21.59 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.108 179.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -101.93 124.5 47.65 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.859 -0.423 . . . . 10.0 109.859 179.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 29.3 pt -65.84 -15.5 18.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.829 0.347 . . . . 10.0 111.383 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 19.3 p-10 -102.13 8.41 40.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.762 -0.654 . . . . 10.0 110.563 179.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -134.96 103.75 5.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.024 0.44 . . . . 10.0 110.75 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.44 -39.93 85.18 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.596 0.591 . . . . 10.0 112.596 -179.304 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -53.87 -51.49 63.5 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.461 0.541 . . . . 10.0 112.461 -178.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 77.7 p -57.06 -40.56 77.07 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.962 0.727 . . . . 10.0 112.962 -179.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -66.57 -46.35 76.31 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.084 0.402 . . . . 10.0 112.084 -179.18 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -71.17 -31.71 68.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.857 0.36 . . . . 10.0 111.111 -179.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.6 -26.31 68.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.816 -0.629 . . . . 10.0 111.776 -179.336 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 51.5 mm -55.68 -35.83 40.41 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.889 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -63.36 -41.92 98.86 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.22 -0.445 . . . . 10.0 110.344 179.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 -63.67 -42.73 98.03 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.008 -0.542 . . . . 10.0 110.439 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -63.46 -41.85 98.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.605 -0.725 . . . . 10.0 110.298 179.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -57.64 -47.69 81.54 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.815 -0.63 . . . . 10.0 111.849 -179.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -63.02 -36.25 82.95 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.576 -0.284 . . . . 10.0 111.455 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -68.24 -41.38 81.27 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 121.014 -0.274 . . . . 10.0 110.297 179.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 97.9 mt -56.94 -45.75 83.68 Favored 'Isoleucine or valine' 0 C--O 1.239 0.515 0 CA-C-O 121.021 0.439 . . . . 10.0 110.222 179.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 15.6 mtmt -68.32 -16.17 63.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.537 -0.756 . . . . 10.0 111.829 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? -92.63 -37.39 12.45 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.893 0.378 . . . . 10.0 110.835 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 49.8 t -71.06 -48.0 58.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.779 0.323 . . . . 10.0 110.848 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . 0.437 ' C ' ' H ' ' B' ' 106' ' ' SER . 21.9 mtpp -88.43 -17.25 30.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.398 -0.365 . . . . 10.0 110.865 -179.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 20.9 t70 71.57 -13.75 0.54 Allowed 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 115.662 -0.699 . . . . 10.0 112.513 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 106' ' ' SER . . . . . 0.437 ' H ' ' C ' ' B' ' 104' ' ' LYS . 23.2 t -71.07 145.75 49.7 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.971 -0.559 . . . . 10.0 112.253 -178.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -84.18 -40.99 17.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.393 0.616 . . . . 10.0 109.63 178.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -97.01 122.96 40.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.738 -0.664 . . . . 10.0 109.719 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 78.6 t -135.55 130.86 19.1 Favored Pre-proline 0 C--N 1.324 -0.536 0 N-CA-C 110.056 -0.349 . . . . 10.0 110.056 -179.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -66.69 105.68 0.97 Allowed 'Trans proline' 0 C--O 1.235 0.339 0 C-N-CA 122.719 2.279 . . . . 10.0 111.706 179.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 50.3 mtm -137.35 147.62 45.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.163 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 84.3 t -129.88 133.44 64.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 109.141 -0.688 . . . . 10.0 109.141 178.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 19.4 tp -95.92 111.65 23.58 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.723 -0.473 . . . . 10.0 109.723 -179.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 4.0 m -115.9 123.28 71.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.133 0.492 . . . . 10.0 112.144 -179.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -95.7 112.17 4.36 Favored Glycine 0 N--CA 1.443 -0.845 0 N-CA-C 109.56 -1.416 . . . . 10.0 109.56 178.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 116' ' ' ASN . . . . . 0.429 ' ND2' ' N7 ' ' B' ' 201' ' ' GSP . 66.4 t30 -93.06 160.03 15.04 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 112.003 0.372 . . . . 10.0 112.003 -178.653 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 82.1 mttt 68.39 35.14 3.48 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.733 0.642 . . . . 10.0 112.733 179.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 34.7 m -67.22 2.99 1.33 Allowed 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 112.847 0.684 . . . . 10.0 112.847 179.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -97.1 -7.89 31.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.931 0.396 . . . . 10.0 109.974 178.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 15.2 mt -74.88 132.03 78.15 Favored Pre-proline 0 C--O 1.236 0.378 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.857 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -73.82 143.96 34.13 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.888 2.392 . . . . 10.0 111.298 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 1.5 m 58.61 80.98 0.17 Allowed 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.094 0.473 . . . . 10.0 111.738 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 17.8 ptp180 -86.27 150.75 24.14 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.295 -0.411 . . . . 10.0 111.35 -179.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 10.8 m -80.55 -53.86 6.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.913 0.387 . . . . 10.0 110.384 179.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 72.3 t -87.06 104.14 13.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.13 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -69.03 154.16 42.54 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.798 -0.637 . . . . 10.0 109.923 179.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.99 -35.12 70.77 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.488 -0.324 . . . . 10.0 110.717 179.714 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 10.5 ptmm? -52.28 -39.22 60.18 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 115.469 -0.787 . . . . 10.0 112.899 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -92.08 -33.54 14.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.777 0.322 . . . . 10.0 111.683 -179.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.4 -39.83 94.62 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.928 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -77.17 -34.16 56.4 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.158 -0.474 . . . . 10.0 111.418 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -63.15 -41.62 99.31 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.014 0.435 . . . . 10.0 111.415 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 34.1 tp -64.31 -48.62 74.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.028 0.442 . . . . 10.0 109.873 179.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.1 -35.09 77.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.664 -0.698 . . . . 10.0 110.208 179.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 6.2 tmm_? -64.1 -40.44 96.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.831 -0.622 . . . . 10.0 109.903 179.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 32.2 m -72.7 -32.74 65.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.276 -0.42 . . . . 10.0 110.839 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 4.6 m-30 -79.36 -21.29 45.97 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.238 -0.437 . . . . 10.0 111.216 179.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 76.91 32.39 49.77 Favored Glycine 0 N--CA 1.45 -0.396 0 N-CA-C 111.422 -0.671 . . . . 10.0 111.422 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 46.9 pt -118.09 158.62 45.73 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 115.746 -0.227 . . . . 10.0 110.688 -179.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -78.4 131.99 10.94 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 122.866 2.377 . . . . 10.0 111.991 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -105.31 130.98 53.32 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.115 -0.493 . . . . 10.0 109.685 178.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 58.2 mt -128.71 129.39 68.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 111.968 0.358 . . . . 10.0 111.968 -179.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -89.61 125.93 35.43 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 107.207 -1.405 . . . . 10.0 107.207 177.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -142.45 -177.61 5.36 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 113.57 0.952 . . . . 10.0 113.57 -177.392 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 20.8 t -168.84 121.29 0.79 Allowed 'General case' 0 C--O 1.24 0.557 0 CA-C-N 114.92 -1.036 . . . . 10.0 109.142 179.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -70.84 -23.0 62.25 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.094 0.473 . . . . 10.0 110.067 -179.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 28.3 tttt -73.44 -46.73 46.72 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.636 -0.711 . . . . 10.0 110.974 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -78.26 -15.14 59.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.596 -0.274 . . . . 10.0 111.472 -179.704 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.54 38.95 18.62 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 121.226 0.536 . . . . 10.0 110.22 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -112.22 126.65 55.46 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.392 -0.822 . . . . 10.0 111.1 -179.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 70.27 16.2 73.09 Favored Glycine 0 N--CA 1.452 -0.298 0 CA-C-N 116.084 -0.507 . . . . 10.0 113.033 179.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 86.5 t -59.08 -60.94 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.93 0.395 . . . . 10.0 110.909 -179.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -69.55 -30.8 68.68 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.85 -0.614 . . . . 10.0 110.573 -179.306 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.97 -37.23 73.8 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.059 -0.519 . . . . 10.0 111.773 -179.238 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -63.15 -50.53 70.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.361 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -67.34 -39.97 85.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.927 -0.579 . . . . 10.0 110.719 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -58.07 -47.59 82.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.723 179.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 65.5 m -64.15 -40.44 96.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.833 -0.622 . . . . 10.0 111.231 179.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 61.9 tp -58.87 -50.04 75.5 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.337 -0.392 . . . . 10.0 111.001 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.8 -42.13 91.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.212 0.529 . . . . 10.0 110.371 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 9.8 ttp180 -62.46 -32.73 73.65 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.795 -0.639 . . . . 10.0 110.996 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -68.81 -34.81 76.14 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.938 0.399 . . . . 10.0 110.088 178.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 55.5 mt -67.5 -38.92 81.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 108.525 -0.917 . . . . 10.0 108.525 178.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 72.8 mtt180 -60.81 -40.65 93.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.456 -0.793 . . . . 10.0 108.979 178.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -60.59 -47.1 87.69 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.283 -0.871 . . . . 10.0 110.049 178.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -59.54 -53.73 54.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.664 -0.698 . . . . 10.0 111.385 -179.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -62.02 -38.76 89.89 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.404 -0.362 . . . . 10.0 111.863 -179.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -66.83 -51.73 52.1 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.867 0.365 . . . . 10.0 110.838 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 31.7 mtpt -65.78 -36.95 84.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.354 -0.384 . . . . 10.0 111.419 -179.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 43.9 mmm -66.86 -23.13 65.98 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 112.161 0.43 . . . . 10.0 112.161 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 68.9 m -65.89 -16.19 63.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.98 0.419 . . . . 10.0 110.573 179.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 23.2 mtpt -105.9 -2.19 23.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.132 -0.485 . . . . 10.0 109.99 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 173' ' ' ASP . . . . . . . . . . . . . 5.4 t70 68.69 -74.92 0.07 Allowed 'General case' 0 N--CA 1.472 0.656 0 O-C-N 123.841 0.713 . . . . 10.0 110.896 -178.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . -142.02 -60.38 0.03 OUTLIER Glycine 0 N--CA 1.444 -0.787 0 N-CA-C 109.625 -1.39 . . . . 10.0 109.625 178.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 175' ' ' LYS . . . . . . . . . . . . . 19.9 tptp 58.33 -93.06 0.04 OUTLIER 'General case' 0 C--O 1.231 0.112 0 C-N-CA 123.245 0.618 . . . . 10.0 111.892 179.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 176' ' ' LYS . . . . . . . . . . . . . 12.8 tptt 64.37 98.17 0.04 OUTLIER 'General case' 0 C--O 1.234 0.243 0 N-CA-C 112.579 0.585 . . . . 10.0 112.579 179.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 177' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -72.22 115.62 11.67 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.741 -0.663 . . . . 10.0 109.699 179.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.34 -169.79 0.76 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.152 -0.477 . . . . 10.0 110.614 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 179' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -91.54 -172.31 3.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.416 179.718 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 15.3 pttm -40.19 -66.07 0.34 Allowed 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 112.985 0.735 . . . . 10.0 112.985 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 46.0 m -142.65 34.57 1.43 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.206 -0.664 . . . . 10.0 109.206 179.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? 70.87 -144.37 0.07 Allowed 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.329 -0.85 . . . . 10.0 109.783 -178.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 1.8 m -138.36 89.49 2.39 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.89 -0.411 . . . . 10.0 109.89 179.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 184' ' ' LYS . . . . . 0.611 ' H ' ' C3 ' ' C' ' 214' ' ' 17F . 60.8 mmtt . . . . . 0 C--N 1.325 -0.468 0 CA-C-O 120.825 0.345 . . . . 10.0 111.032 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 CA--C 1.532 0.267 0 CA-C-O 121.056 0.455 . . . . 10.0 110.511 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.59 136.69 33.01 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.944 -0.571 . . . . 10.0 109.522 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -106.14 130.42 54.03 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.873 0.368 . . . . 10.0 111.385 -179.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -120.01 117.81 29.0 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.147 -0.479 . . . . 10.0 109.841 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -90.63 117.39 29.25 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.864 0.364 . . . . 10.0 110.304 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -127.19 137.07 52.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.084 0.469 . . . . 10.0 111.037 -178.511 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 24.9 t -118.46 132.28 68.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.382 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 10.6 t -91.6 129.59 42.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 109.949 -0.389 . . . . 10.0 109.949 179.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 8.8 m -119.45 165.75 14.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.054 0.454 . . . . 10.0 111.381 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 131.68 163.61 10.86 Favored Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 111.202 -0.759 . . . . 10.0 111.202 -179.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.44 176.93 4.94 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.099 0.476 . . . . 10.0 111.088 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -79.17 144.9 34.02 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.151 0.5 . . . . 10.0 110.769 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 87.29 -2.01 86.45 Favored Glycine 0 N--CA 1.448 -0.502 0 CA-C-N 115.821 -0.627 . . . . 10.0 113.744 179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 20.2 m -75.1 -28.97 21.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 117.681 0.741 . . . . 10.0 112.216 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 117.93 14.72 6.53 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.549 -0.834 . . . . 10.0 113.714 178.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -53.81 -58.9 5.55 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.157 0.428 . . . . 10.0 112.157 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 17' ' ' SER . . . . . 0.48 ' OG ' ' O3G' ' C' ' 201' ' ' GSP . 16.4 m -66.39 -33.21 75.2 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.776 0.658 . . . . 10.0 112.776 -178.788 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.33 -40.04 85.07 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.644 -0.502 . . . . 10.0 109.644 179.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 90.5 mt -68.78 -40.06 79.85 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 115.698 -0.683 . . . . 10.0 110.681 179.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.0 -43.69 86.98 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.449 -0.341 . . . . 10.0 110.597 179.739 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 86.0 mt -64.68 -38.67 83.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.401 -0.363 . . . . 10.0 111.314 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -66.76 -25.84 66.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.183 0.516 . . . . 10.0 110.895 179.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 16.2 tp -87.49 -43.68 11.87 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.004 -0.544 . . . . 10.0 111.185 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 44.4 mm -80.19 -68.11 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 112.483 0.549 . . . . 10.0 112.483 -178.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -78.87 -24.95 43.93 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.115 0.413 . . . . 10.0 112.115 -178.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 66.8 t30 72.96 51.36 0.14 Allowed 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 113.053 0.761 . . . . 10.0 113.053 178.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 9.6 p80 -157.36 164.71 37.28 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.01 178.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -101.56 141.97 33.63 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 120.941 0.401 . . . . 10.0 111.089 -179.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 3.7 m -108.25 131.73 57.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.46 179.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -98.24 -8.31 27.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.684 0.754 . . . . 10.0 109.873 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -95.69 143.31 27.07 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.391 -0.822 . . . . 10.0 110.775 -179.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -78.57 122.37 25.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.334 -0.394 . . . . 10.0 110.477 179.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -111.87 103.86 55.56 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 120.739 0.304 . . . . 10.0 111.586 -179.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -80.43 67.55 8.59 Favored 'Trans proline' 0 CA--C 1.532 0.379 0 C-N-CA 123.176 2.584 . . . . 10.0 111.769 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.2 130.3 41.1 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.196 -0.456 . . . . 10.0 111.282 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 48.1 mm -87.02 -40.02 13.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 109.372 -0.603 . . . . 10.0 109.372 179.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -172.45 104.76 0.16 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.387 -0.824 . . . . 10.0 109.826 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -130.23 136.8 49.6 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.899 -0.408 . . . . 10.0 109.899 179.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 2.9 p -114.58 134.74 54.81 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 112.136 0.421 . . . . 10.0 112.136 -178.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -125.52 143.63 50.92 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.681 -0.69 . . . . 10.0 110.122 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -127.54 134.87 49.74 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.356 -0.384 . . . . 10.0 110.469 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 54.9 tttt -149.04 140.16 23.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.425 179.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -93.81 120.53 34.2 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.548 -0.538 . . . . 10.0 109.548 179.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 18.6 m -130.9 162.39 39.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.283 0.563 . . . . 10.0 111.389 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 21.1 t -105.81 108.66 25.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.738 -0.664 . . . . 10.0 109.412 179.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 46' ' ' ILE . . . . . 0.415 ' C ' ' H ' ' C' ' 48' ' ' GLY . 63.6 mt -114.63 116.93 54.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.163 -0.471 . . . . 10.0 110.746 -179.192 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 71.57 -11.08 0.76 Allowed 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 115.647 -0.706 . . . . 10.0 112.011 179.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 48' ' ' GLY . . . . . 0.415 ' H ' ' C ' ' C' ' 46' ' ' ILE . . . 129.38 -16.43 5.69 Favored Glycine 0 N--CA 1.449 -0.445 0 N-CA-C 111.348 -0.701 . . . . 10.0 111.348 -179.26 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -94.55 122.63 37.33 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-O 120.747 0.308 . . . . 10.0 110.466 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -73.04 117.51 14.85 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.094 -0.706 . . . . 10.0 109.094 179.079 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -129.35 153.8 47.52 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 112.623 0.601 . . . . 10.0 112.623 -178.171 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 60.3 tp -101.82 124.08 46.85 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.095 -0.957 . . . . 10.0 108.908 178.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 37.1 mt -96.89 122.22 39.63 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 112.51 0.559 . . . . 10.0 112.51 -179.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -103.09 93.01 4.78 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.613 -1.254 . . . . 10.0 107.613 177.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 1.1 mp -100.18 131.57 47.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.506 -0.316 . . . . 10.0 111.834 -178.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 32.0 tp -118.54 121.24 39.77 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.124 -0.489 . . . . 10.0 111.179 179.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -97.32 104.81 16.87 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.037 -0.727 . . . . 10.0 109.037 178.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 28.6 p -95.75 156.6 16.26 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.619 -0.264 . . . . 10.0 110.612 -179.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.48 138.13 58.25 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.089 0.471 . . . . 10.0 110.954 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -98.79 23.8 34.85 Favored Glycine 0 N--CA 1.448 -0.535 0 N-CA-C 111.272 -0.731 . . . . 10.0 111.272 179.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -83.62 -1.55 54.16 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 111.588 0.218 . . . . 10.0 111.588 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 58.32 -160.7 0.26 Allowed 'General case' 0 C--O 1.233 0.226 0 N-CA-C 112.275 0.472 . . . . 10.0 112.275 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 77.58 -16.71 0.63 Allowed 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.365 0.666 . . . . 10.0 111.476 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -77.64 73.26 4.21 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.035 -0.53 . . . . 10.0 111.207 -179.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 1.8 p -76.4 -16.49 59.7 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.056 -0.52 . . . . 10.0 111.843 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -116.35 -36.97 3.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.488 -0.324 . . . . 10.0 111.504 -179.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 20.6 ttt -64.5 -28.83 69.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.045 0.45 . . . . 10.0 110.601 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 68' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -62.11 -43.33 99.07 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.894 -0.594 . . . . 10.0 111.907 -179.014 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -57.49 -36.23 71.24 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.3 -0.409 . . . . 10.0 110.999 -179.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -55.54 -56.31 21.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.842 -0.617 . . . . 10.0 112.366 -179.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 71' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -79.51 -24.33 42.32 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 113.697 0.999 . . . . 10.0 113.697 -178.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 27.3 mtt -69.13 -36.15 77.16 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.113 0.482 . . . . 10.0 110.423 179.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 29.5 ttm105 -73.2 -35.0 66.27 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.352 0.596 . . . . 10.0 110.411 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 6.3 m -76.27 -48.04 21.63 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.305 -0.862 . . . . 10.0 112.874 -178.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.74 148.87 51.48 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 121.376 -0.44 . . . . 10.0 113.856 -178.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -102.01 -41.17 6.54 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.227 0.537 . . . . 10.0 109.605 179.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -116.89 145.62 18.72 Favored Glycine 0 N--CA 1.447 -0.587 0 N-CA-C 110.712 -0.955 . . . . 10.0 110.712 178.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 78' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -121.14 126.34 49.49 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 117.194 0.497 . . . . 10.0 112.158 -179.015 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 13.6 tp -93.06 99.53 12.12 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.293 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 36.7 m -87.63 101.06 13.28 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.122 0.487 . . . . 10.0 110.551 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 40.4 t -109.99 136.32 46.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.855 -0.612 . . . . 10.0 110.036 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 35.8 p90 -132.06 149.97 52.27 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.929 0.395 . . . . 10.0 110.67 179.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -81.38 128.42 33.83 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.957 -0.565 . . . . 10.0 109.622 179.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 84' ' ' ILE . . . . . . . . . . . . . 1.5 pp -73.0 -10.79 14.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.954 0.407 . . . . 10.0 111.36 -179.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 21.0 p-10 -100.16 -1.6 36.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.295 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -133.68 112.59 11.54 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.203 0.525 . . . . 10.0 111.524 -179.269 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.6 -28.98 68.93 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.674 -0.694 . . . . 10.0 112.302 -179.311 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 26.0 tptp -57.81 -43.59 85.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.408 -0.36 . . . . 10.0 110.67 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -32.64 73.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.246 -0.434 . . . . 10.0 111.526 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -71.16 -33.29 69.89 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.843 0.354 . . . . 10.0 110.755 -179.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -79.24 -26.54 42.44 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.068 0.461 . . . . 10.0 110.515 179.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -67.27 -21.4 65.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.979 -0.555 . . . . 10.0 111.267 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 46.9 mm -57.75 -41.73 80.22 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-N 116.342 -0.39 . . . . 10.0 110.258 179.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -66.09 -44.01 85.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.224 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 55.1 m-70 -59.89 -42.04 92.92 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.101 0.477 . . . . 10.0 110.075 179.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -65.57 -49.74 67.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.677 -0.692 . . . . 10.0 110.344 179.06 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 18.6 ttt180 -54.24 -47.06 72.65 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.415 -0.812 . . . . 10.0 111.854 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -62.4 -35.29 78.75 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 116.305 -0.407 . . . . 10.0 111.899 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -75.82 -38.72 57.83 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.82 -0.352 . . . . 10.0 110.333 179.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 52.3 mt -56.52 -46.17 82.32 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 CA-C-N 116.01 -0.541 . . . . 10.0 109.943 179.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 27.5 mtmt -72.47 -25.19 61.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.722 -0.672 . . . . 10.0 111.198 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -75.17 -49.51 19.24 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.295 -179.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 42.2 t -66.1 -39.61 84.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.21 -0.45 . . . . 10.0 111.837 -179.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 5.8 tttp -87.08 -16.48 35.42 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.268 0.47 . . . . 10.0 112.268 -179.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 28.8 t70 60.56 56.67 3.0 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.442 0.639 . . . . 10.0 111.358 -179.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 1.9 t -166.93 143.93 4.68 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.763 -0.653 . . . . 10.0 110.222 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 -83.8 -37.19 22.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.94 0.4 . . . . 10.0 110.634 -179.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -86.75 105.84 17.25 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.972 -0.558 . . . . 10.0 111.355 -179.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 45.1 t -135.29 135.89 23.43 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.538 -0.756 . . . . 10.0 109.131 179.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_exo -64.38 106.74 0.74 Allowed 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.849 2.366 . . . . 10.0 111.427 179.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 111' ' ' MET . . . . . . . . . . . . . 57.4 mtm -142.02 144.86 33.84 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.635 -179.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 60.9 t -134.23 128.4 52.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 109.146 -0.687 . . . . 10.0 109.146 179.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 24.5 tp -82.74 121.6 27.1 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.152 -0.684 . . . . 10.0 109.152 179.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 21.7 t -115.9 129.91 71.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.003 0.43 . . . . 10.0 111.826 -178.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -109.91 123.8 6.9 Favored Glycine 0 N--CA 1.446 -0.66 0 N-CA-C 109.799 -1.32 . . . . 10.0 109.799 178.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -112.86 157.91 20.81 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.983 0.391 . . . . 10.0 111.311 -179.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt 71.86 29.59 2.43 Favored 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 123.295 0.638 . . . . 10.0 112.64 179.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 118' ' ' CYS . . . . . . . . . . . . . 68.2 m -72.73 -3.41 25.03 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.889 0.376 . . . . 10.0 111.762 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -85.87 -19.07 31.13 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.321 179.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 83.7 mt -85.35 143.5 39.18 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.653 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -78.02 172.66 15.18 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.748 2.299 . . . . 10.0 111.346 179.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 16.0 m 64.6 61.71 0.82 Allowed 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.2 0.524 . . . . 10.0 111.844 179.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -83.76 154.6 23.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.835 179.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 1.4 m -99.79 -48.39 4.72 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.145 -0.48 . . . . 10.0 111.787 -179.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 77.7 t -91.59 127.24 44.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.938 0.399 . . . . 10.0 110.713 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -70.75 142.19 51.44 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.361 -0.607 . . . . 10.0 109.361 179.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 7.5 m -56.78 -33.38 66.58 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.794 0.33 . . . . 10.0 110.575 179.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 30.8 mttp -63.35 -55.78 21.74 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 115.959 -0.564 . . . . 10.0 111.153 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -62.88 -31.99 73.15 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.81 0.338 . . . . 10.0 111.583 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.03 -47.16 72.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.078 179.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -71.9 -28.74 63.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.384 179.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -68.29 -42.03 80.11 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.319 178.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 10.3 tp -59.6 -44.53 93.35 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 109.291 -0.633 . . . . 10.0 109.291 179.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.84 -37.39 87.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.626 -0.715 . . . . 10.0 110.068 179.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -60.91 -39.68 90.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.662 -0.699 . . . . 10.0 110.316 179.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 17.1 m -69.84 -26.24 64.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.701 -0.681 . . . . 10.0 111.39 -179.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 23.4 m-30 -90.8 -14.38 32.03 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.971 0.415 . . . . 10.0 110.692 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 76.41 31.05 55.74 Favored Glycine 0 N--CA 1.451 -0.35 0 N-CA-C 110.736 -0.946 . . . . 10.0 110.736 -178.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 47.4 pt -126.24 162.56 45.41 Favored Pre-proline 0 C--N 1.327 -0.384 0 N-CA-C 109.902 -0.407 . . . . 10.0 109.902 -179.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -87.04 155.49 8.43 Favored 'Trans proline' 0 CA--C 1.533 0.453 0 C-N-CA 122.456 2.104 . . . . 10.0 112.801 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -136.42 122.34 20.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.9 -0.591 . . . . 10.0 109.556 178.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 3.6 mp -124.98 130.0 73.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 120.885 0.374 . . . . 10.0 111.346 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -80.83 131.73 35.42 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 108.91 -0.774 . . . . 10.0 108.91 178.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 77.3 p -134.86 176.41 8.68 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.274 0.559 . . . . 10.0 112.055 -177.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 12.7 t -151.89 117.24 5.3 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.29 -0.868 . . . . 10.0 108.865 178.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.61 -24.69 61.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.099 0.475 . . . . 10.0 110.433 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -65.82 -48.68 70.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.621 -0.718 . . . . 10.0 110.573 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 26.8 p -90.21 -15.84 30.63 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.922 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 23.1 ttt-85 62.71 44.48 6.54 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 115.364 -0.835 . . . . 10.0 111.023 -179.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -112.71 113.75 26.01 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.002 -0.545 . . . . 10.0 110.522 -179.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 94.14 -18.98 55.72 Favored Glycine 0 CA--C 1.518 0.226 0 C-N-CA 121.058 -0.591 . . . . 10.0 112.855 179.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 13.3 t -60.39 -40.22 83.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.72 0.295 . . . . 10.0 111.417 -179.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.12 -52.32 63.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.25 0.548 . . . . 10.0 110.699 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -66.01 -30.01 70.47 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.622 -0.717 . . . . 10.0 112.07 -178.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -57.13 -42.05 80.19 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.988 0.423 . . . . 10.0 110.494 179.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -68.76 -39.82 80.05 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.818 -0.628 . . . . 10.0 109.917 179.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 8.6 m-30 -64.71 -36.81 85.49 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.866 -0.606 . . . . 10.0 110.636 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 31.9 m -60.16 -42.56 95.17 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 116.187 -0.46 . . . . 10.0 111.074 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 17.6 tp -61.14 -39.91 91.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.175 0.512 . . . . 10.0 109.746 179.189 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 79.7 t -66.72 -40.0 85.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.643 -0.708 . . . . 10.0 109.541 178.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.01 -38.85 87.53 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.592 -0.731 . . . . 10.0 109.783 179.021 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 162' ' ' GLU . . . . . 0.41 ' CD ' ' HZ1' ' C' ' 165' ' ' LYS . 26.2 mm-40 -67.51 -39.92 85.14 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.732 -0.667 . . . . 10.0 110.685 179.079 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 97.9 mt -62.27 -43.6 98.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 N-CA-C 109.058 -0.719 . . . . 10.0 109.058 178.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -62.66 -44.5 96.11 Favored 'General case' 0 C--O 1.232 0.175 0 N-CA-C 109.056 -0.72 . . . . 10.0 109.056 178.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 165' ' ' LYS . . . . . 0.41 ' HZ1' ' CD ' ' C' ' 162' ' ' GLU . 29.2 ttmt -58.92 -49.53 77.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.116 -0.947 . . . . 10.0 110.502 179.321 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -57.63 -51.54 69.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.789 -0.642 . . . . 10.0 111.382 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -63.78 -39.76 95.04 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.583 0.586 . . . . 10.0 112.583 -179.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -66.58 -47.34 73.07 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.942 0.401 . . . . 10.0 110.62 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 49.0 mtpt -68.42 -32.8 73.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.09 -0.505 . . . . 10.0 110.715 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 23.6 ttm -66.2 -26.25 67.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.976 -0.556 . . . . 10.0 110.756 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 26.0 m -71.86 -11.64 60.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.005 -0.543 . . . . 10.0 111.344 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 61.0 mtpt -101.04 -13.07 18.37 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.735 -0.468 . . . . 10.0 109.735 179.062 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 173' ' ' ASP . . . . . . . . . . . . . 14.8 t70 71.37 -61.93 0.47 Allowed 'General case' 0 C--O 1.237 0.404 0 CA-C-N 115.569 -0.741 . . . . 10.0 112.908 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . 129.73 -35.1 2.62 Favored Glycine 0 N--CA 1.451 -0.339 0 N-CA-C 111.741 -0.544 . . . . 10.0 111.741 -179.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 175' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -115.32 -32.11 5.74 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.102 0.477 . . . . 10.0 110.542 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 176' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -68.83 -25.85 64.87 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.726 -0.67 . . . . 10.0 112.418 -179.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 177' ' ' LYS . . . . . . . . . . . . . 41.2 tptt -96.12 -77.85 0.47 Allowed 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.277 -0.569 . . . . 10.0 112.319 -179.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 178' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp 62.41 71.66 0.52 Allowed 'General case' 0 N--CA 1.466 0.325 0 O-C-N 123.329 0.393 . . . . 10.0 111.431 -179.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 179' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -91.79 98.67 11.76 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.908 0.385 . . . . 10.0 110.84 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 180' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -160.67 109.14 1.62 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.794 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 2.5 p -168.41 -179.43 3.94 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.526 -0.761 . . . . 10.0 109.035 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 182' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.1 -64.9 1.04 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.621 0.248 . . . . 10.0 110.622 179.6 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.49 -64.0 1.11 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.415 -0.357 . . . . 10.0 110.734 179.353 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 184' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt . . . . . 0 C--O 1.236 0.394 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.645 -179.984 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 401' ' ' PCW . . . . . 0.594 ' C6 ' ' O31' ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 402' ' ' PCW . . . . . 0.573 ' C8 ' ' C3 ' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 403' ' ' PCW . . . . . 0.66 ' C3 ' ' O1P' ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 404' ' ' PCW . . . . . 0.744 ' O31' ' C35' ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 405' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 406' ' ' PCW . . . . . 0.482 ' O3P' ' O31' ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 407' ' ' PCW . . . . . 0.754 ' C21' ' C17' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 408' ' ' PCW . . . . . 0.574 ' O4P' ' C6 ' ' A' ' 408' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 409' ' ' PCW . . . . . 0.791 ' C14' ' C19' ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 410' ' ' PCW . . . . . 0.501 ' C37' ' C6 ' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 411' ' ' PCW . . . . . 0.574 ' C22' ' C24' ' A' ' 408' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 412' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 413' ' ' PCW . . . . . 0.621 ' C11' ' O31' ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 414' ' ' PCW . . . . . 0.661 ' C47' ' C43' ' A' ' 414' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 415' ' ' 17F . . . . . 0.554 ' C2 ' ' O1 ' ' A' ' 415' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 416' ' ' 17F . . . . . 0.43 ' O7 ' ' O10' ' A' ' 416' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 417' ' ' PCW . . . . . 0.508 ' O31' ' O3 ' ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 418' ' ' PCW . . . . . 0.458 ' O3 ' ' O31' ' A' ' 418' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 419' ' ' PCW . . . . . 0.596 ' O1P' ' C4 ' ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 420' ' ' PCW . . . . . 0.51 ' C31' ' O3 ' ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 421' ' ' PCW . . . . . 0.41 ' C16' ' C31' ' D' ' 630' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 422' ' ' 17F . . . . . 0.505 ' C4 ' ' C13' ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 601' ' ' PCW . . . . . 0.631 ' C42' ' C46' ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 602' ' ' PCW . . . . . 0.548 ' C6 ' ' O4P' ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 603' ' ' PCW . . . . . 0.57 ' C2 ' ' C4 ' ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 604' ' ' PCW . . . . . 0.519 ' O3 ' ' O31' ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 605' ' ' PCW . . . . . 0.654 ' O31' ' P ' ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 606' ' ' PCW . . . . . 0.726 ' C17' ' C21' ' D' ' 606' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 607' ' ' PCW . . . . . 0.593 ' C11' ' O31' ' D' ' 607' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 608' ' ' PCW . . . . . 0.583 ' C19' ' C26' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 609' ' ' PCW . . . . . 0.578 ' C11' ' O31' ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 610' ' ' PCW . . . . . 0.621 ' C20' ' C24' ' D' ' 610' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 611' ' ' PCW . . . . . 0.461 ' C35' ' C22' ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 612' ' ' PCW . . . . . 0.469 ' C32' ' C35' ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 613' ' ' PCW . . . . . 0.66 ' C21' ' C17' ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 614' ' ' PCW . . . . . 0.529 ' C5 ' ' O1P' ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 615' ' ' PCW . . . . . 0.648 ' C46' ' C42' ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 616' ' ' PCW . . . . . 0.556 ' O31' ' O3 ' ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 617' ' ' PCW . . . . . 0.589 ' C3 ' ' P ' ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 618' ' ' PCW . . . . . 0.639 ' C23' ' C27' ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 619' ' ' PCW . . . . . 0.555 ' C14' ' C39' ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 620' ' ' PCW . . . . . 0.499 ' C39' ' C14' ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 621' ' ' PCW . . . . . 0.544 ' C41' ' C37' ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 622' ' ' PCW . . . . . 0.506 ' C14' ' C18' ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 623' ' ' PCW . . . . . 0.711 ' C32' ' C36' ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 624' ' ' PCW . . . . . 0.701 ' C24' ' C20' ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 625' ' ' PCW . . . . . 0.629 ' C15' ' C19' ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 626' ' ' PCW . . . . . 0.823 ' C25' ' C20' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 627' ' ' PCW . . . . . 0.604 ' C20' ' C35' ' C' ' 217' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 628' ' ' 17F . . . . . 0.604 ' C31' ' C19' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 629' ' ' 17F . . . . . 0.583 ' C26' ' C19' ' D' ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 630' ' ' 17F . . . . . 0.487 ' O4 ' ' C6 ' ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 631' ' ' 17F . . . . . 0.648 ' O10' ' O7 ' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 632' ' ' 17F . . . . . 0.527 ' C6 ' ' O10' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 201' ' ' GSP . . . . . 0.647 ' O2A' ' S1G' ' B' ' 201' ' ' GSP . . . . . . . . 0 O4'--C1' 1.438 1.98 2 O4'-C1'-N19 113.287 5.087 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 202' ' ' ' MG' . . . . . 0.621 'MG ' ' O3G' ' B' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 203' ' ' PCW . . . . . 0.546 ' C33' ' C21' ' B' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 204' ' ' PCW . . . . . 0.713 ' C21' ' C17' ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 205' ' ' PCW . . . . . 0.764 ' C3 ' ' O1P' ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 206' ' ' PCW . . . . . 0.594 ' C6 ' ' O4P' ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 207' ' ' PCW . . . . . 0.647 ' O1P' ' C3 ' ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 208' ' ' PCW . . . . . 0.628 ' C43' ' C47' ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 209' ' ' 17F . . . . . 0.686 ' C31' ' C19' ' B' ' 209' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 210' ' ' 17F . . . . . 0.558 ' C19' ' C19' ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 211' ' ' 17F . . . . . 0.42 ' C1 ' ' O2P' ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 201' ' ' GSP . . . . . 0.753 ' O1B' ' S1G' ' C' ' 201' ' ' GSP . . . . . . . . 0 O4'--C1' 1.44 2.14 2 O4'-C1'-N19 113.134 4.934 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 202' ' ' ' MG' . . . . . 0.628 'MG ' ' O3G' ' C' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 203' ' ' PCW . . . . . 0.651 ' C21' ' C25' ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 204' ' ' PCW . . . . . 0.673 ' O1P' ' C3 ' ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 205' ' ' PCW . . . . . 0.525 ' O3 ' ' O31' ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 206' ' ' PCW . . . . . 0.591 ' C15' ' C15' ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 207' ' ' PCW . . . . . 0.706 ' O1P' ' C3 ' ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 208' ' ' PCW . . . . . 0.591 ' C15' ' C15' ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 209' ' ' PCW . . . . . 0.614 ' C22' ' C26' ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 210' ' ' PCW . . . . . 0.658 ' C26' ' C22' ' C' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 211' ' ' PCW . . . . . 0.524 ' C6 ' ' C1 ' ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 212' ' ' PCW . . . . . 0.662 ' C20' ' C24' ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 213' ' ' 17F . . . . . 0.48 ' O7 ' ' O10' ' C' ' 213' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 214' ' ' 17F . . . . . 0.611 ' C3 ' ' H ' ' B' ' 184' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 215' ' ' 17F . . . . . 0.62 ' N1 ' ' O2 ' ' C' ' 215' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 216' ' ' PCW . . . . . 0.551 ' O2 ' ' O11' ' C' ' 216' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 217' ' ' PCW . . . . . 0.604 ' C35' ' C20' ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 218' ' ' 17F . . . . . 0.705 ' O7 ' ' C18' ' C' ' 218' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 219' ' ' 17F . . . . . 0.459 ' C1Z' ' C14' ' C' ' 217' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 77.0 mt . . . . . 0 C--O 1.234 0.277 0 CA-C-O 121.019 0.438 . . . . 10.0 110.655 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 6.1 tmtm? -70.6 -43.53 69.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.58 -0.737 . . . . 10.0 110.991 -179.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 74.2 mt -63.93 -33.85 76.64 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.315 -0.402 . . . . 10.0 110.427 179.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 1.7 mt -67.9 -46.7 70.87 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.508 -0.769 . . . . 10.0 111.112 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -66.67 -45.35 79.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.992 0.425 . . . . 10.0 111.288 -179.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -66.35 -28.61 68.8 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.118 -0.492 . . . . 10.0 111.31 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 15.1 t90 -63.4 -34.66 78.22 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.06 0.457 . . . . 10.0 109.902 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -67.86 -38.91 83.72 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.287 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 2.0 m -64.6 -32.64 74.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.292 0.568 . . . . 10.0 110.136 179.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 48.1 t -75.98 -45.35 37.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.892 -0.594 . . . . 10.0 110.013 179.241 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 9.9 m -60.63 -43.8 97.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.569 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 3.4 p -62.31 -37.99 87.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.955 0.407 . . . . 10.0 110.205 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 84.8 m -66.56 -40.8 89.17 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.908 -0.587 . . . . 10.0 109.522 178.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -61.71 -41.83 98.12 Favored 'General case' 0 C--O 1.224 -0.25 0 N-CA-C 109.648 -0.501 . . . . 10.0 109.648 178.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 24.3 m -62.32 -45.99 90.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.991 -0.55 . . . . 10.0 109.799 178.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -61.29 -40.21 93.29 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.302 -0.408 . . . . 10.0 109.983 178.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 80.7 mt -65.34 -42.09 93.25 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-N 115.72 -0.673 . . . . 10.0 110.028 179.256 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 88.1 mtt180 -65.74 -35.44 80.75 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.321 -0.4 . . . . 10.0 110.948 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -67.24 -36.3 81.35 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.642 -0.503 . . . . 10.0 109.642 178.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -76.74 -31.92 57.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.824 -0.626 . . . . 10.0 110.171 179.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 33.2 mt -53.84 -36.94 63.1 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.123 179.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -55.12 -70.39 0.98 Allowed Glycine 0 C--N 1.33 0.241 0 N-CA-C 111.121 -0.792 . . . . 10.0 111.121 178.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -51.3 -41.71 57.62 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.629 2.219 . . . . 10.0 111.778 178.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 54.3 t -57.16 -53.32 44.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-N 116.523 -0.308 . . . . 10.0 111.123 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 11.0 p -65.14 -36.82 85.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.884 0.374 . . . . 10.0 110.996 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -62.41 -49.55 75.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 10.0 110.492 179.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -66.99 -47.49 71.36 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.331 179.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -57.24 -50.95 71.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 10.0 111.585 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -66.16 -34.83 78.93 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.952 0.158 . . . . 10.0 111.358 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -63.14 -46.62 86.36 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.52 -0.548 . . . . 10.0 109.52 178.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -72.6 -34.7 67.57 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.756 -0.656 . . . . 10.0 110.755 178.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 21.0 mt -62.9 -42.2 99.7 Favored 'General case' 0 CA--C 1.52 -0.208 0 N-CA-C 109.773 -0.454 . . . . 10.0 109.773 178.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -64.11 -33.65 76.26 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.307 178.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -66.39 -45.52 79.74 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 108.611 -0.885 . . . . 10.0 108.611 177.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.41 -46.05 91.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.319 -0.855 . . . . 10.0 109.389 178.566 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 2.9 m -67.49 -37.11 82.35 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.831 -0.622 . . . . 10.0 110.735 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -62.41 -44.33 96.68 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 108.766 -0.828 . . . . 10.0 108.766 178.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -61.58 -41.48 99.58 Favored Glycine 0 N--CA 1.445 -0.702 0 N-CA-C 110.233 -1.147 . . . . 10.0 110.233 178.117 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 84.1 mt -65.68 -32.18 73.6 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.757 0.313 . . . . 10.0 110.573 179.032 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 56.5 mtt180 -70.24 -41.73 73.15 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.896 -0.779 . . . . 10.0 108.896 178.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -66.81 -41.95 86.69 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.652 -0.87 . . . . 10.0 108.652 178.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -64.31 -32.64 74.32 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 115.468 -0.787 . . . . 10.0 110.265 178.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 54.2 ttm -54.26 -31.43 53.59 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 122.925 0.49 . . . . 10.0 111.36 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -65.14 -7.1 10.96 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.19 0.519 . . . . 10.0 110.637 179.512 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -130.95 -52.32 1.05 Allowed 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.914 -0.584 . . . . 10.0 110.01 179.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 246' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -60.86 -13.43 15.54 Favored 'General case' 0 C--O 1.225 -0.21 0 N-CA-C 113.002 0.741 . . . . 10.0 113.002 -179.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . 18.8 mt -132.06 -46.88 0.93 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.771 0.32 . . . . 10.0 110.707 178.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -63.99 -39.97 95.32 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.244 0.461 . . . . 10.0 112.244 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -72.39 -29.05 63.4 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.472 -0.566 . . . . 10.0 109.472 179.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 250' ' ' VAL . . . . . . . . . . . . . 71.9 t -64.17 -44.22 97.5 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.308 0 N-CA-C 108.775 -0.824 . . . . 10.0 108.775 178.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -69.98 -37.19 75.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.306 178.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -64.34 -49.39 71.89 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.196 -0.457 . . . . 10.0 110.707 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -81.75 -10.25 59.41 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.194 0.442 . . . . 10.0 112.194 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 254' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.72 -30.75 50.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 120.609 0.243 . . . . 10.0 110.629 179.711 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -62.89 -63.35 4.26 Favored Pre-proline 0 N--CA 1.451 -0.397 0 CA-C-N 116.167 -0.47 . . . . 10.0 110.757 179.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -61.14 -36.24 82.05 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 121.807 1.671 . . . . 10.0 112.247 179.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 4.8 m-30 -62.83 -57.96 9.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.351 -0.386 . . . . 10.0 111.216 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 52.9 mt -67.83 -37.28 81.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.15 -0.477 . . . . 10.0 111.471 -179.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -63.26 -41.31 99.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.543 0.211 . . . . 10.0 110.859 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -69.42 -44.14 71.95 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.992 0.425 . . . . 10.0 110.073 179.282 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 1.5 m-30 -63.82 -43.4 96.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.757 -0.656 . . . . 10.0 110.233 178.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -66.96 -39.48 87.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.147 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 15.1 ttmt -59.21 -51.25 70.77 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.496 -0.557 . . . . 10.0 109.496 179.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 264' ' ' LYS . . . . . . . . . . . . . 69.0 mttt -66.08 -36.64 83.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.697 -0.683 . . . . 10.0 110.249 179.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -62.02 -40.25 95.05 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 109.502 -0.555 . . . . 10.0 109.502 178.707 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -60.99 -47.35 86.85 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 115.734 -0.666 . . . . 10.0 109.216 178.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -62.65 -40.36 96.8 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 115.792 -0.64 . . . . 10.0 109.766 178.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -59.01 -43.92 91.62 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.975 -0.557 . . . . 10.0 109.897 178.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 85.7 mmm -68.92 -38.64 79.67 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.503 -0.771 . . . . 10.0 110.318 179.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -62.4 -50.66 70.63 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.69 -0.485 . . . . 10.0 109.69 179.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 70.0 mt -61.58 -34.78 76.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.218 179.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -69.08 -40.02 78.71 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.399 -0.364 . . . . 10.0 110.526 179.087 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 84.9 mtt180 -74.96 -42.94 56.65 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.978 -0.556 . . . . 10.0 111.417 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -63.21 -23.75 67.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.959 -0.564 . . . . 10.0 111.159 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 275' ' ' LYS . . . . . . . . . . . . . 8.3 mptt -98.63 -35.33 10.23 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.027 -0.533 . . . . 10.0 111.347 179.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 4.3 p -60.31 -33.34 53.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 112.698 0.629 . . . . 10.0 112.698 -179.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -62.39 -60.98 8.47 Favored Pre-proline 0 CA--C 1.533 0.302 0 C-N-CA 120.904 -0.318 . . . . 10.0 111.555 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -62.93 -36.96 57.33 Favored 'Trans proline' 0 C--N 1.355 0.878 0 C-N-CA 121.841 1.694 . . . . 10.0 111.614 178.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 14.4 mt -62.58 -43.98 97.47 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-O 120.755 0.312 . . . . 10.0 110.386 179.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -63.46 -30.28 71.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 10.0 109.926 178.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -69.87 -44.89 68.89 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.174 -0.676 . . . . 10.0 109.174 178.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -63.21 -40.24 96.9 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 109.224 -0.658 . . . . 10.0 109.224 178.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 65.4 mt -64.02 -44.68 91.84 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.746 -0.661 . . . . 10.0 110.326 178.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -63.35 -52.19 62.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.055 -0.521 . . . . 10.0 110.626 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -61.69 -40.79 96.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.757 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -63.65 -43.42 97.95 Favored Glycine 0 N--CA 1.446 -0.663 0 N-CA-C 110.141 -1.184 . . . . 10.0 110.141 178.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -61.96 -38.49 88.7 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 110.228 -0.286 . . . . 10.0 110.228 178.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -53.47 -54.01 43.21 Favored 'General case' 0 CA--C 1.519 -0.215 0 N-CA-C 109.306 -0.628 . . . . 10.0 109.306 179.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -65.76 -48.73 70.9 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.925 -1.034 . . . . 10.0 111.246 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 60.5 mttt -59.13 -47.5 85.05 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.404 0.52 . . . . 10.0 112.404 -179.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 77.0 mt -68.5 -35.98 78.26 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.753 0.311 . . . . 10.0 110.248 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -63.77 -40.02 95.68 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.104 -0.702 . . . . 10.0 109.104 178.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.08 -35.35 78.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.729 -0.669 . . . . 10.0 109.754 178.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 84.8 mt -73.93 -40.39 63.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.286 178.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -61.15 -37.58 83.36 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.263 0.554 . . . . 10.0 109.946 179.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -72.86 5.42 3.25 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.75 -0.659 . . . . 10.0 111.627 179.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . 0.479 ' HZ2' ' CD ' ' D' ' 480' ' ' GLU . 9.1 mmtp -124.4 -39.73 2.3 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.091 -0.504 . . . . 10.0 109.704 178.126 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 61.3 mt -65.78 -23.98 66.83 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.09 -0.505 . . . . 10.0 111.367 179.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 299' ' ' SER . . . . . . . . . . . . . 16.0 m -85.34 -63.45 0.23 Allowed Pre-proline 0 C--N 1.322 -0.6 0 N-CA-C 112.186 0.439 . . . . 10.0 112.186 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 300' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -63.39 -52.58 1.88 Allowed 'Trans proline' 0 C--N 1.355 0.904 0 C-N-CA 121.733 1.622 . . . . 10.0 111.932 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 96.7 mt -71.13 -22.57 62.05 Favored 'General case' 0 C--O 1.224 -0.275 0 N-CA-C 109.93 -0.396 . . . . 10.0 109.93 179.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -72.92 -49.73 15.97 Favored Glycine 0 N--CA 1.451 -0.311 0 N-CA-C 110.632 -0.987 . . . . 10.0 110.632 178.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -62.49 -41.45 98.82 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.019 -0.734 . . . . 10.0 109.019 178.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -64.59 -40.86 96.29 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.449 -0.796 . . . . 10.0 109.508 178.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 14.3 tpt -62.22 -44.24 97.01 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.833 -0.432 . . . . 10.0 109.833 179.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 63.1 mtt180 -67.62 -32.01 72.42 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.833 -0.621 . . . . 10.0 110.177 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -73.48 -43.67 59.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 10.0 109.778 179.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 20.2 mmt180 -64.27 -34.3 77.79 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.932 -0.766 . . . . 10.0 108.932 177.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -64.16 -33.16 75.14 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.009 -0.737 . . . . 10.0 109.009 177.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 310' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 -60.83 -50.24 74.23 Favored 'General case' 0 C--O 1.225 -0.193 0 N-CA-C 108.536 -0.912 . . . . 10.0 108.536 178.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -64.62 -40.1 94.89 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.465 -0.789 . . . . 10.0 110.073 179.264 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -59.19 -51.56 69.45 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.189 179.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 89.2 t -68.53 -40.44 82.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.879 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -60.14 -46.75 88.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.881 0.372 . . . . 10.0 110.292 179.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -63.15 -40.57 97.95 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.9 -0.591 . . . . 10.0 109.996 179.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 20.9 mt -65.7 -44.08 87.22 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.43 179.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 19.2 ttm105 -61.46 -46.56 89.52 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.296 -0.411 . . . . 10.0 110.413 179.338 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 5.1 m -66.67 -18.98 65.65 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.661 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -91.16 -38.54 12.67 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.552 -0.536 . . . . 10.0 109.552 179.377 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 93.2 mt -70.46 -32.22 69.69 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.842 -0.617 . . . . 10.0 111.878 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -50.39 -59.64 6.82 Favored Pre-proline 0 CA--C 1.537 0.458 0 N-CA-C 112.418 0.525 . . . . 10.0 112.418 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -70.17 -26.81 25.26 Favored 'Trans proline' 0 C--N 1.355 0.918 0 C-N-CA 121.831 1.687 . . . . 10.0 111.846 179.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 15.5 m-30 -68.76 -48.07 64.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.479 -0.328 . . . . 10.0 110.672 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 7.0 p -69.0 -31.96 71.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.294 0.568 . . . . 10.0 110.151 179.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -63.58 -49.62 72.66 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.016 -0.735 . . . . 10.0 109.016 178.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -69.47 -29.29 66.93 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.41 -0.813 . . . . 10.0 109.315 178.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.81 -35.69 75.21 Favored 'General case' 0 CA--C 1.52 -0.185 0 N-CA-C 109.138 -0.69 . . . . 10.0 109.138 178.422 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 67.2 mtt180 -63.32 -40.93 98.71 Favored 'General case' 0 CA--C 1.518 -0.287 0 N-CA-C 108.899 -0.778 . . . . 10.0 108.899 178.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -67.75 -36.95 81.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.54 -0.755 . . . . 10.0 109.422 179.044 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -64.87 -53.95 38.57 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-N 115.508 -0.769 . . . . 10.0 109.709 178.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 84.7 mt -58.18 -45.73 87.01 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.717 -0.674 . . . . 10.0 110.537 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -59.56 -50.75 72.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.344 179.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -61.84 -47.33 85.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.515 -0.312 . . . . 10.0 110.973 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 15.1 mmt180 -60.64 -48.88 79.81 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.781 179.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 62.6 mt -66.37 -34.48 78.06 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 112.023 0.379 . . . . 10.0 112.023 -179.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -68.72 -39.01 80.64 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.738 -0.467 . . . . 10.0 109.738 178.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -65.09 -40.8 95.13 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 108.041 -1.096 . . . . 10.0 108.041 177.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 42.7 mt -66.13 -24.94 66.77 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-N 115.286 -0.87 . . . . 10.0 110.885 178.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 48.9 mttt -80.63 -48.63 12.37 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.81 0.338 . . . . 10.0 110.584 179.241 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -64.93 -55.12 21.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.282 179.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -68.75 -39.69 80.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.224 179.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -61.76 -39.36 97.34 Favored Glycine 0 N--CA 1.453 -0.219 0 N-CA-C 111.278 -0.729 . . . . 10.0 111.278 179.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -63.04 -41.51 99.83 Favored Glycine 0 N--CA 1.446 -0.669 0 N-CA-C 110.573 -1.011 . . . . 10.0 110.573 178.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -66.42 -43.83 84.61 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 108.946 -0.761 . . . . 10.0 108.946 178.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 29.8 mtm180 -59.28 -43.72 92.52 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.831 178.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 30.6 mt -62.75 -46.52 87.66 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.015 178.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.69 -42.74 89.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.0 -0.546 . . . . 10.0 109.664 179.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -66.47 -42.19 87.91 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.679 -0.691 . . . . 10.0 109.915 178.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 8.5 m-30 -62.1 -41.01 97.78 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.868 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 53.0 m-70 -62.38 -43.4 98.91 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 109.671 -0.492 . . . . 10.0 109.671 179.178 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -65.74 -46.27 79.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.787 -0.642 . . . . 10.0 109.525 178.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 30.5 mttm -59.75 -43.68 94.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.39 179.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -63.59 -39.46 94.45 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.97 -0.381 . . . . 10.0 109.97 178.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 86.7 m -63.77 -48.26 77.66 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.7 -0.481 . . . . 10.0 109.7 178.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -63.39 -34.8 78.52 Favored 'General case' 0 C--O 1.226 -0.169 0 CA-C-O 121.01 0.433 . . . . 10.0 110.213 179.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.1 -26.01 61.09 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.958 179.347 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 52.3 mt -79.18 -39.92 32.15 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.758 0.313 . . . . 10.0 110.587 179.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 1.2 p -66.91 -38.4 86.16 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.673 -0.492 . . . . 10.0 109.673 178.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 17.2 p -73.82 -30.02 62.47 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 116.005 -0.543 . . . . 10.0 109.837 178.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 24.5 tp -69.21 -25.95 64.57 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 108.92 -0.77 . . . . 10.0 108.92 178.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 24.7 m -66.16 -25.78 67.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.619 -0.719 . . . . 10.0 110.207 179.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -71.5 -23.68 61.84 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 108.874 -0.787 . . . . 10.0 108.874 178.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 363' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -91.81 -30.1 16.4 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.341 -0.845 . . . . 10.0 109.587 178.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -80.7 -29.54 36.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.791 -0.64 . . . . 10.0 112.461 -179.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 43.0 mtmt -105.7 -75.43 0.02 OUTLIER Pre-proline 0 CA--C 1.539 0.521 0 N-CA-C 113.083 0.771 . . . . 10.0 113.083 179.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -60.06 -56.85 0.95 Allowed 'Trans proline' 0 C--N 1.358 1.035 0 C-N-CA 122.21 1.94 . . . . 10.0 113.041 -179.178 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 367' ' ' ALA . . . . . . . . . . . . . . . -57.22 -48.2 79.41 Favored 'General case' 0 C--N 1.333 -0.135 0 N-CA-C 111.943 0.349 . . . . 10.0 111.943 -179.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 2.3 mt -63.15 -36.06 82.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.65 0.262 . . . . 10.0 110.905 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -63.67 -48.77 75.85 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 109.226 -0.657 . . . . 10.0 109.226 178.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -59.07 -42.37 90.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.652 -0.704 . . . . 10.0 109.888 179.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 83.8 mt -64.26 -50.34 68.35 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.663 -0.698 . . . . 10.0 110.783 179.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -61.42 -46.96 87.94 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.448 -0.342 . . . . 10.0 111.647 -179.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -66.85 -19.96 65.83 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.935 0.397 . . . . 10.0 110.806 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -88.58 -37.33 7.53 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.935 -0.65 . . . . 10.0 111.553 178.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 92.2 mt -72.68 -25.73 61.36 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 111.833 0.309 . . . . 10.0 111.833 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 58.6 mt -54.46 -59.28 10.69 Favored Pre-proline 0 CA--C 1.537 0.48 0 N-CA-C 111.679 0.251 . . . . 10.0 111.679 179.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -65.87 -27.23 51.45 Favored 'Trans proline' 0 C--N 1.357 0.991 0 C-N-CA 121.955 1.77 . . . . 10.0 110.806 178.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 18.0 t -62.51 -47.53 92.53 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 N-CA-C 108.589 -0.893 . . . . 10.0 108.589 178.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 81.1 mt -61.44 -39.77 92.02 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.114 -0.698 . . . . 10.0 109.114 178.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -58.63 -48.94 79.3 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.839 -0.619 . . . . 10.0 111.127 179.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 5.3 p -67.56 -34.29 76.76 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 121.133 0.492 . . . . 10.0 110.468 179.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -68.13 -37.24 80.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.798 179.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 79.7 mttt -60.55 -50.55 73.08 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.683 -0.488 . . . . 10.0 109.683 179.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 51.9 t -59.89 -47.56 91.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.53 -0.759 . . . . 10.0 111.144 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 2.6 p -65.23 -40.89 94.69 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.63 -0.259 . . . . 10.0 111.695 -179.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -66.52 -41.37 88.92 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.596 0.236 . . . . 10.0 110.704 179.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 85.5 mt -63.6 -47.2 82.4 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.898 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 2.5 p -66.66 -33.75 76.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.846 0.355 . . . . 10.0 110.423 179.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -63.85 -43.41 96.22 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 109.334 -0.617 . . . . 10.0 109.334 178.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 76.0 mt -60.02 -37.79 80.76 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 116.162 -0.472 . . . . 10.0 109.864 178.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -63.99 -44.2 93.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.168 0.508 . . . . 10.0 109.894 178.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -63.18 -40.48 97.64 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.811 -0.632 . . . . 10.0 111.637 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -76.72 2.76 13.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.877 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 57.2 m -114.26 -47.28 2.94 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.366 -0.379 . . . . 10.0 110.752 178.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -60.37 -34.14 73.45 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.794 0.664 . . . . 10.0 112.794 -179.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 1.9 mptt -111.23 11.69 21.77 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 113.585 0.958 . . . . 10.0 113.585 -178.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 66.1 mt -130.14 -13.15 4.03 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.389 0.515 . . . . 10.0 112.389 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 48.8 t30 . . . . . 0 C--N 1.327 -0.412 0 CA-C-N 116.566 -0.288 . . . . 10.0 110.652 179.925 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 4.2 mm? . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.981 0.419 . . . . 10.0 110.52 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 4.7 mtpm? -129.15 22.26 5.69 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.662 -0.699 . . . . 10.0 109.658 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 94.7 mt -78.63 -27.38 45.39 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.26 -0.882 . . . . 10.0 109.806 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 95.5 mt -63.65 -39.63 94.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.599 -0.728 . . . . 10.0 109.975 179.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -61.36 -47.32 86.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.296 -0.866 . . . . 10.0 109.765 179.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -67.82 -36.41 80.33 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.826 -0.624 . . . . 10.0 110.51 179.165 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.85 -32.57 71.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.502 . . . . 10.0 110.245 179.236 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -61.63 -45.58 93.46 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 115.909 -0.587 . . . . 10.0 109.472 178.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 1.5 m -61.39 -38.78 88.31 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 115.945 -0.571 . . . . 10.0 110.274 179.279 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 49.1 t -66.16 -42.97 92.19 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 CA-C-N 115.77 -0.65 . . . . 10.0 109.713 178.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 8.9 m -63.78 -40.4 96.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.211 179.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 13.1 m -62.15 -48.39 80.28 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 116.196 -0.457 . . . . 10.0 110.654 179.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 1.1 p -64.77 -36.69 85.14 Favored 'General case' 0 N--CA 1.456 -0.151 0 CA-C-N 116.671 -0.241 . . . . 10.0 111.111 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 4.7 m-30 -65.7 -43.61 88.65 Favored 'General case' 0 CA--C 1.522 -0.106 0 N-CA-C 109.904 -0.406 . . . . 10.0 109.904 179.058 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 20.3 m -66.45 -36.77 83.61 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 109.313 -0.625 . . . . 10.0 109.313 178.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 50.6 mmtt -66.33 -33.17 75.12 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 115.968 -0.56 . . . . 10.0 110.284 178.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 20.8 mt -65.41 -39.85 92.68 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 108.894 -0.78 . . . . 10.0 108.894 177.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -67.73 -36.71 81.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.538 -0.756 . . . . 10.0 109.888 178.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -64.24 -30.37 71.43 Favored 'General case' 0 C--N 1.334 -0.076 0 CA-C-N 115.663 -0.698 . . . . 10.0 109.398 178.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -80.06 -47.95 14.05 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.762 -0.654 . . . . 10.0 109.474 178.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 41.0 mt -46.62 -45.99 19.42 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 115.373 -0.83 . . . . 10.0 112.846 -179.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -49.78 -75.15 0.22 Allowed Glycine 0 C--N 1.335 0.496 0 C-N-CA 121.243 -0.503 . . . . 10.0 112.983 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -55.94 -45.89 35.31 Favored 'Trans proline' 0 CA--C 1.528 0.186 0 C-N-CA 122.865 2.377 . . . . 10.0 112.389 179.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 63.7 t -55.64 -49.88 70.97 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 N-CA-C 113.008 0.744 . . . . 10.0 113.008 -178.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 29.7 p -64.27 -39.74 94.55 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.919 -0.312 . . . . 10.0 111.221 -179.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -60.26 -51.62 68.79 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.539 -0.301 . . . . 10.0 110.757 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -70.6 -31.73 68.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.828 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -67.6 -38.68 84.32 Favored 'General case' 0 CA--C 1.521 -0.166 0 N-CA-C 109.336 -0.616 . . . . 10.0 109.336 178.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 4.2 m95 -67.2 -40.06 86.44 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.285 -0.635 . . . . 10.0 109.285 178.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -65.89 -33.61 76.22 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.786 -0.82 . . . . 10.0 108.786 177.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -69.78 -41.23 75.39 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.959 -0.756 . . . . 10.0 108.959 177.332 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 79.2 mt -61.3 -37.56 83.64 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 115.594 -0.73 . . . . 10.0 109.165 178.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -65.37 -41.78 93.44 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.167 -0.679 . . . . 10.0 109.167 178.089 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 40.8 mttp -61.07 -44.17 97.78 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.227 -0.657 . . . . 10.0 109.227 178.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -64.64 -48.21 75.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.551 -0.749 . . . . 10.0 111.452 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 3.2 p -63.41 -41.12 98.72 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.925 -0.31 . . . . 10.0 110.396 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -61.29 -46.54 89.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.92 0.391 . . . . 10.0 110.03 178.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -62.23 -47.96 86.03 Favored Glycine 0 N--CA 1.443 -0.898 0 N-CA-C 110.268 -1.133 . . . . 10.0 110.268 178.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 60.9 mt -60.88 -32.32 71.77 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 115.773 -0.213 . . . . 10.0 110.808 179.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 51.1 mtt180 -67.32 -43.2 82.18 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.567 -0.531 . . . . 10.0 109.567 178.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -65.42 -35.17 80.13 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.787 -0.642 . . . . 10.0 109.989 179.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -76.74 -50.75 12.84 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.753 -0.658 . . . . 10.0 110.436 179.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 13.2 mmm -63.11 -34.22 77.13 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 113.716 1.006 . . . . 10.0 113.716 -178.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 4.1 p -62.04 -52.6 63.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.318 0.58 . . . . 10.0 109.841 179.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -66.47 -37.83 85.98 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.445 -0.798 . . . . 10.0 109.871 179.159 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -62.12 -56.21 21.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.755 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 21.0 mt -61.81 -47.4 85.3 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.299 0.481 . . . . 10.0 112.299 -179.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 50.4 mm-40 -59.58 -46.03 90.13 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 120.849 0.357 . . . . 10.0 110.869 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 447' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -68.2 -34.33 76.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.011 -0.54 . . . . 10.0 109.603 179.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 1.5 t -60.14 -41.58 87.08 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.172 0 CA-C-N 115.902 -0.59 . . . . 10.0 109.963 179.002 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -60.19 -45.36 93.41 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.114 0.483 . . . . 10.0 109.845 179.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -76.95 5.01 8.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.72 -0.673 . . . . 10.0 111.512 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 56.8 mttm -115.3 -44.76 2.97 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.375 -0.375 . . . . 10.0 110.475 179.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 95.1 t -65.36 -39.38 85.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.693 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -55.38 -60.59 7.92 Favored Pre-proline 0 CA--C 1.537 0.469 0 CA-C-N 116.691 -0.231 . . . . 10.0 111.249 179.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -69.05 -23.26 34.25 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.014 1.809 . . . . 10.0 111.761 178.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -69.14 -48.2 63.0 Favored 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 108.655 -0.869 . . . . 10.0 108.655 178.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 49.8 mt -66.93 -35.25 79.57 Favored 'General case' 0 C--O 1.22 -0.496 0 CA-C-N 115.731 -0.668 . . . . 10.0 109.521 178.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -61.54 -54.02 48.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.055 178.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 458' ' ' ASP . . . . . 0.431 ' CG ' ' HZ2' ' D' ' 462' ' ' LYS . 35.8 t70 -64.4 -34.85 79.12 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.844 -0.617 . . . . 10.0 110.379 179.579 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.95 -40.09 75.65 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.329 178.782 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -63.97 -35.21 79.94 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 109.255 -0.646 . . . . 10.0 109.255 178.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 67.0 mttt -63.46 -46.22 87.21 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 115.626 -0.716 . . . . 10.0 109.141 177.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 462' ' ' LYS . . . . . 0.431 ' HZ2' ' CG ' ' D' ' 458' ' ' ASP . 6.9 mtmm -67.22 -34.96 78.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.056 178.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 17.8 m0 -63.98 -49.19 73.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.709 -0.678 . . . . 10.0 109.388 178.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -62.07 -41.94 98.68 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 115.833 -0.621 . . . . 10.0 110.109 179.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 465' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -56.93 -53.71 54.85 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 109.756 -0.461 . . . . 10.0 109.756 179.073 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -61.34 -40.76 95.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.893 -0.594 . . . . 10.0 110.343 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 56.6 ttm -60.75 -47.69 85.15 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.14 -0.482 . . . . 10.0 109.932 179.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -63.6 -43.38 97.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.952 -0.567 . . . . 10.0 109.809 178.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 469' ' ' LEU . . . . . . . . . . . . . 88.8 mt -62.93 -36.43 83.38 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.668 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 11.5 m-30 -65.91 -29.16 69.54 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.979 0.418 . . . . 10.0 110.816 179.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 74.5 mtt180 -73.2 -18.87 61.21 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.228 -0.656 . . . . 10.0 109.228 178.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -109.12 3.26 21.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.766 -0.652 . . . . 10.0 111.032 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 473' ' ' LYS . . . . . . . . . . . . . 52.0 mttp -125.51 -67.04 0.91 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.622 179.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 30.0 t -62.71 -43.34 98.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 10.0 111.389 -179.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -57.12 -59.47 12.57 Favored Pre-proline 0 CA--C 1.538 0.511 0 N-CA-C 112.657 0.614 . . . . 10.0 112.657 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -62.82 -38.61 47.38 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 121.725 1.617 . . . . 10.0 111.248 178.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 27.3 mt -63.7 -32.59 74.13 Favored 'General case' 0 C--O 1.22 -0.476 0 CA-C-N 116.699 -0.228 . . . . 10.0 110.414 179.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 13.7 mtt180 -61.29 -47.04 87.81 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.278 -0.638 . . . . 10.0 109.278 178.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -64.6 -44.53 90.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.578 179.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 480' ' ' GLU . . . . . 0.479 ' CD ' ' HZ2' ' A' ' 297' ' ' LYS . 48.7 mt-10 -64.93 -44.64 88.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.731 179.451 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 65.3 mt -66.55 -31.92 72.94 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.883 -0.414 . . . . 10.0 109.883 178.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -67.49 -40.97 85.22 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 108.782 -0.821 . . . . 10.0 108.782 177.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.12 -41.15 95.12 Favored 'General case' 0 CA--C 1.517 -0.29 0 N-CA-C 109.16 -0.681 . . . . 10.0 109.16 178.599 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -66.15 -36.93 92.53 Favored Glycine 0 N--CA 1.441 -0.972 0 N-CA-C 110.262 -1.135 . . . . 10.0 110.262 178.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -66.96 -43.63 82.6 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 109.045 -0.724 . . . . 10.0 109.045 178.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 81.5 mtt180 -64.51 -40.3 95.38 Favored 'General case' 0 CA--C 1.518 -0.272 0 O-C-N 123.596 0.56 . . . . 10.0 109.802 178.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.17 -53.6 53.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.816 -0.629 . . . . 10.0 109.712 179.048 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 70.0 tttt -65.54 -32.82 74.61 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.777 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 1.6 mt -63.83 -47.8 79.37 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 108.639 -0.874 . . . . 10.0 108.639 178.277 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -62.02 -43.96 97.73 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 108.353 -0.98 . . . . 10.0 108.353 178.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -54.72 -51.71 64.76 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.64 -0.709 . . . . 10.0 109.246 178.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 92.5 mt -60.75 -47.33 86.81 Favored 'General case' 0 C--O 1.217 -0.616 0 CA-C-N 115.461 -0.791 . . . . 10.0 111.353 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -59.73 -37.53 79.2 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.067 0.46 . . . . 10.0 111.293 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -69.74 -7.11 36.67 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.023 -0.535 . . . . 10.0 111.358 179.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 495' ' ' LYS . . . . . . . . . . . . . 16.5 mttp -116.76 -33.62 4.75 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.879 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 81.3 mt -64.67 -28.0 69.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.452 -0.34 . . . . 10.0 111.506 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 497' ' ' SER . . . . . . . . . . . . . 6.5 m -74.43 -60.92 1.27 Allowed Pre-proline 0 C--N 1.323 -0.546 0 C-N-CA 120.672 -0.411 . . . . 10.0 111.432 178.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 498' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -65.21 -50.35 2.1 Favored 'Trans proline' 0 C--N 1.359 1.107 0 C-N-CA 121.719 1.613 . . . . 10.0 112.244 179.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 499' ' ' LEU . . . . . . . . . . . . . 6.5 mp -69.04 -28.73 66.82 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 120.548 0.213 . . . . 10.0 110.767 -179.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -65.89 -51.33 46.9 Favored Glycine 0 N--CA 1.446 -0.655 0 N-CA-C 110.014 -1.234 . . . . 10.0 110.014 178.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -65.36 -33.97 77.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.201 0.524 . . . . 10.0 109.616 178.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 502' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -63.97 -52.39 59.9 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.558 -0.746 . . . . 10.0 109.554 179.005 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 74.0 mmm -61.28 -37.22 82.38 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 121.019 0.438 . . . . 10.0 110.374 179.045 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 76.9 mtt180 -65.67 -43.51 89.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.893 -0.594 . . . . 10.0 109.842 178.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -69.09 -35.44 76.5 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.413 -0.358 . . . . 10.0 110.236 179.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 506' ' ' ARG . . . . . . . . . . . . . 52.1 mtt180 -61.4 -43.44 98.86 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 107.525 -1.287 . . . . 10.0 107.525 177.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -61.82 -39.07 90.49 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-N 114.975 -1.012 . . . . 10.0 109.567 178.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 508' ' ' ARG . . . . . . . . . . . . . 83.7 mtt180 -61.26 -43.89 98.13 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.184 -0.673 . . . . 10.0 109.184 178.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -63.86 -32.19 73.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.499 -0.773 . . . . 10.0 111.34 179.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 -83.09 -46.88 12.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.204 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 79.2 t -63.22 -41.35 92.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.556 -0.293 . . . . 10.0 110.623 179.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -65.9 -35.65 81.21 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.502 -0.555 . . . . 10.0 109.502 178.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -67.08 -43.16 83.31 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 108.648 -0.871 . . . . 10.0 108.648 178.071 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 514' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.6 -24.9 65.85 Favored 'General case' 0 CA--C 1.526 0.038 0 CA-C-O 120.97 0.414 . . . . 10.0 110.748 179.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 515' ' ' ARG . . . . . . . . . . . . . 77.7 mtt180 -69.47 -22.73 63.61 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.537 -0.542 . . . . 10.0 109.537 178.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.12 -4.58 15.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.807 -0.633 . . . . 10.0 110.109 179.119 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 16.3 m170 -103.45 -48.52 3.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.778 -0.647 . . . . 10.0 111.343 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 52.2 mt -94.36 -49.44 5.7 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.265 -0.425 . . . . 10.0 112.126 -178.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 519' ' ' ALA . . . . . . . . . . . . . . . -51.46 -55.31 30.33 Favored Pre-proline 0 CA--C 1.54 0.593 0 N-CA-C 114.298 1.221 . . . . 10.0 114.298 -178.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 520' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -70.72 -36.04 8.89 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 121.988 1.792 . . . . 10.0 111.812 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -69.53 -34.88 74.89 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.753 -0.658 . . . . 10.0 112.125 -178.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 3.1 p -63.96 -32.56 74.13 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.65 -0.5 . . . . 10.0 109.65 179.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -70.52 -37.15 74.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.886 -0.597 . . . . 10.0 109.498 178.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -67.64 -35.33 78.69 Favored 'General case' 0 CA--C 1.521 -0.139 0 N-CA-C 108.453 -0.943 . . . . 10.0 108.453 177.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 74.9 mt -65.91 -36.18 82.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.351 -0.84 . . . . 10.0 108.953 177.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 526' ' ' ARG . . . . . . . . . . . . . 80.1 mtt180 -60.81 -32.5 71.87 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.509 179.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -67.37 -42.82 82.81 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.036 -0.727 . . . . 10.0 109.036 178.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 528' ' ' ARG . . . . . . . . . . . . . 84.1 mtt180 -69.5 -39.24 77.72 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.05 -0.977 . . . . 10.0 109.004 179.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 32.9 mt -61.02 -35.34 76.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.716 -0.674 . . . . 10.0 110.101 178.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -69.9 -40.19 75.76 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 115.812 -0.631 . . . . 10.0 109.654 178.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -68.26 -45.98 71.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.044 -0.525 . . . . 10.0 109.981 179.254 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 -60.79 -41.72 96.16 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.054 -0.721 . . . . 10.0 109.054 178.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 1.2 mt -67.47 -38.65 84.74 Favored 'General case' 0 C--O 1.221 -0.418 0 CA-C-N 115.848 -0.614 . . . . 10.0 110.483 178.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -61.49 -42.99 99.63 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.594 -0.521 . . . . 10.0 109.594 179.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -67.62 -44.5 77.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.85 -0.614 . . . . 10.0 109.887 178.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 58.0 mt -62.34 -37.78 86.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.804 -0.634 . . . . 10.0 110.89 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -74.52 -36.49 63.2 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.532 -0.303 . . . . 10.0 110.998 179.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -68.83 -56.83 6.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.792 0.329 . . . . 10.0 110.14 179.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 51.8 m-20 -65.58 -31.33 72.32 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 109.093 -0.706 . . . . 10.0 109.093 179.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -66.87 -41.56 93.39 Favored Glycine 0 N--CA 1.445 -0.743 0 N-CA-C 110.87 -0.892 . . . . 10.0 110.87 179.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -65.08 -38.63 95.58 Favored Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 110.104 -1.198 . . . . 10.0 110.104 178.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -67.29 -46.88 72.27 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 109.091 -0.707 . . . . 10.0 109.091 178.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 57.0 mtt85 -61.53 -28.48 69.35 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.961 179.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 20.0 mt -65.42 -44.72 86.49 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.229 -0.656 . . . . 10.0 109.229 178.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -69.75 -41.96 74.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.662 -0.699 . . . . 10.0 109.392 178.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 64.9 mt-10 -60.5 -47.08 87.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.651 -0.704 . . . . 10.0 110.447 179.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -65.52 -36.06 82.69 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.879 179.446 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -67.61 -45.99 73.85 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.888 -0.412 . . . . 10.0 109.888 178.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -63.25 -41.72 99.1 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 108.968 -0.753 . . . . 10.0 108.968 178.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.63 -43.64 98.31 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.528 -0.76 . . . . 10.0 109.983 178.591 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -63.47 -35.28 79.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.283 -0.417 . . . . 10.0 110.38 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 38.8 m -68.58 -47.16 67.49 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.84 -0.618 . . . . 10.0 109.829 179.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -66.8 -36.49 82.5 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.134 0.493 . . . . 10.0 109.88 178.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -66.86 -43.59 83.2 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.713 -0.676 . . . . 10.0 109.958 178.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 21.4 tp -61.33 -39.56 90.97 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.077 -0.511 . . . . 10.0 111.197 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.76 -40.41 88.23 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.445 -0.343 . . . . 10.0 110.489 179.326 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.87 -29.52 65.64 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 121.011 0.434 . . . . 10.0 109.989 178.451 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 24.5 mt -64.71 -54.33 33.17 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 115.828 -0.623 . . . . 10.0 109.417 178.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 2.0 p -63.81 -34.81 78.75 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.771 -0.649 . . . . 10.0 110.744 179.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -58.97 -33.44 70.66 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 116.045 -0.525 . . . . 10.0 109.89 178.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.5 27.78 9.35 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.054 179.385 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -125.95 -49.0 1.61 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.695 -0.684 . . . . 10.0 110.371 179.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -58.68 -62.13 6.31 Favored Pre-proline 0 CA--C 1.535 0.371 0 CA-C-N 116.519 -0.31 . . . . 10.0 111.373 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.91 -23.77 25.15 Favored 'Trans proline' 0 C--N 1.358 1.063 0 C-N-CA 121.784 1.656 . . . . 10.0 110.934 179.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -67.04 -50.69 61.16 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 115.773 -0.649 . . . . 10.0 109.551 179.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 43.5 mt -62.73 -34.78 77.9 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 109.336 -0.616 . . . . 10.0 109.336 178.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -62.19 -52.58 63.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.498 -0.773 . . . . 10.0 109.208 178.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -64.36 -36.02 82.78 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 116.123 -0.49 . . . . 10.0 110.101 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 8.8 mt -59.47 -51.97 67.59 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.262 -0.644 . . . . 10.0 109.262 178.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -66.45 -39.18 88.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.35 -0.386 . . . . 10.0 110.889 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -64.7 -23.31 67.21 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.885 179.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -97.6 -29.74 7.63 Favored Glycine 0 N--CA 1.446 -0.668 0 N-CA-C 111.08 -0.808 . . . . 10.0 111.08 178.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 32.2 mt -70.54 -38.05 74.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.753 -0.224 . . . . 10.0 111.312 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 76.8 mt -56.37 -61.7 6.19 Favored Pre-proline 0 CA--C 1.536 0.437 0 N-CA-C 112.48 0.548 . . . . 10.0 112.48 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -64.96 -32.9 53.55 Favored 'Trans proline' 0 C--N 1.351 0.665 0 C-N-CA 121.766 1.644 . . . . 10.0 111.982 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -68.56 -39.34 80.4 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-O 120.729 0.299 . . . . 10.0 110.671 179.783 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 10.3 mt -65.96 -45.27 82.36 Favored 'General case' 0 CA--C 1.515 -0.402 0 N-CA-C 109.565 -0.532 . . . . 10.0 109.565 178.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -58.8 -42.35 88.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.675 179.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 32.2 m -71.1 -40.65 71.38 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.266 -0.424 . . . . 10.0 110.555 179.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 3.1 m-30 -64.82 -38.13 89.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.603 -0.271 . . . . 10.0 111.246 179.082 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 83.1 mttt -56.61 -45.71 81.3 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.391 -0.368 . . . . 10.0 110.685 179.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 68.8 t -64.43 -38.3 82.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.292 0.568 . . . . 10.0 109.962 179.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 5.5 m -65.35 -38.42 90.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.703 -0.68 . . . . 10.0 110.553 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -73.18 -41.61 63.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.278 179.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 77.9 mt -60.67 -53.54 56.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.984 -0.553 . . . . 10.0 111.336 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 23.4 p -63.05 -30.76 71.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.927 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -71.61 -56.7 5.36 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 116.503 -0.317 . . . . 10.0 110.181 178.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 87.5 mt -57.49 -42.96 83.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.075 -0.512 . . . . 10.0 111.737 -179.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -59.41 -50.99 71.84 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.544 -0.298 . . . . 10.0 110.999 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -68.56 -33.57 74.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.446 -0.343 . . . . 10.0 111.36 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -61.81 -42.59 99.21 Favored 'General case' 0 C--N 1.333 -0.127 0 N-CA-C 109.66 -0.496 . . . . 10.0 109.66 178.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 6.0 m -69.05 -30.43 68.78 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.163 179.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -68.84 -37.94 79.48 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.923 0.392 . . . . 10.0 110.209 178.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -79.4 -35.57 40.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.976 -0.556 . . . . 10.0 111.085 179.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 91.1 mt -88.46 26.35 1.48 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.0 0.429 . . . . 10.0 111.431 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 . . . . . 0 C--N 1.324 -0.524 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.97 -179.826 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.451 -0.401 0 CA-C-O 121.269 0.557 . . . . 10.0 110.683 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.98 118.24 25.34 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.277 -179.663 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -85.91 127.83 34.7 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.767 -0.457 . . . . 10.0 109.767 179.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -124.63 119.75 29.9 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 120.725 0.297 . . . . 10.0 110.75 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 50.2 mttm -87.21 110.22 20.02 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.044 -0.525 . . . . 10.0 111.005 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -115.09 127.27 55.5 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.589 -179.115 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 47.7 t -114.45 124.64 71.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.015 0.436 . . . . 10.0 110.721 179.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 6.0 t -86.89 110.23 20.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.08 -0.711 . . . . 10.0 109.08 179.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 16.1 m -111.63 147.96 15.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.184 0.516 . . . . 10.0 111.769 -178.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 149.87 175.8 22.41 Favored Glycine 0 N--CA 1.446 -0.692 0 CA-C-N 115.57 -0.741 . . . . 10.0 111.477 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.18 178.01 4.11 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.01 0.433 . . . . 10.0 111.138 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -89.8 146.39 24.49 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.416 -0.357 . . . . 10.0 110.689 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 83.72 7.21 86.26 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 121.051 -0.595 . . . . 10.0 113.623 179.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 24.3 m -89.65 -16.85 8.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 112.265 0.468 . . . . 10.0 112.265 -179.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 110.35 22.16 6.59 Favored Glycine 0 C--N 1.331 0.281 0 C-N-CA 120.534 -0.841 . . . . 10.0 113.34 179.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 11.6 mtmm -60.17 -42.54 95.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.221 0.534 . . . . 10.0 111.184 -179.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' SER . . . . . 0.488 ' OG ' ' O3G' ' B' ' 201' ' ' GSP . 60.9 m -86.21 -33.54 20.73 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.974 -179.368 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.59 -46.34 87.16 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.949 179.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 88.8 mt -63.69 -39.28 93.93 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.198 0.523 . . . . 10.0 110.695 179.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 25.3 m -68.35 -42.05 79.79 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.892 -0.594 . . . . 10.0 111.023 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 97.8 mt -63.34 -35.65 73.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 109.819 -0.437 . . . . 10.0 109.819 179.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -70.75 -16.85 62.79 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.236 179.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -94.4 -39.0 10.69 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.086 0.469 . . . . 10.0 111.267 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 38.5 mm -86.68 -65.62 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.111 -0.495 . . . . 10.0 111.96 -179.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -83.18 -13.83 54.65 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.86 0.362 . . . . 10.0 111.834 -179.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 54.3 m-80 62.54 44.52 6.89 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 113.97 1.1 . . . . 10.0 113.97 178.065 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 5.6 p80 -152.48 159.39 43.34 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 122.246 -0.284 . . . . 10.0 111.058 178.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -114.2 121.07 42.61 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.272 -0.422 . . . . 10.0 111.377 -179.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 6.7 m -95.93 142.97 12.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.124 -0.489 . . . . 10.0 109.795 179.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.13 15.66 14.73 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.011 0.434 . . . . 10.0 110.321 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -104.79 131.47 52.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.464 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -81.9 120.3 25.03 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.952 -0.388 . . . . 10.0 109.952 178.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -117.31 117.08 36.88 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-O 121.234 0.54 . . . . 10.0 111.163 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -86.44 63.63 4.86 Favored 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 123.239 2.626 . . . . 10.0 111.77 179.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' THR . . . . . 0.441 ' OG1' ' O3G' ' B' ' 201' ' ' GSP . 0.0 OUTLIER -63.75 118.27 8.07 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 116.167 -0.469 . . . . 10.0 111.122 179.818 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 42.6 mm -75.12 -49.44 28.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.502 -0.555 . . . . 10.0 109.502 179.082 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -140.15 115.76 10.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.769 -0.65 . . . . 10.0 110.25 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -140.56 143.6 35.43 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.668 -0.494 . . . . 10.0 109.668 179.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 3.0 p -134.18 143.62 48.0 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.739 0.304 . . . . 10.0 111.064 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -138.16 146.96 43.37 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.48 -0.327 . . . . 10.0 111.145 -179.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 2.2 mpp_? -123.49 139.71 53.74 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.07 179.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 54.5 tttp -152.16 133.89 14.75 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 110.307 -0.257 . . . . 10.0 110.307 -179.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.25 107.22 18.08 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.961 -0.385 . . . . 10.0 109.961 179.625 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 2.2 m -123.26 160.67 26.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.396 -0.365 . . . . 10.0 111.632 -179.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 16.5 t -98.15 103.93 15.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.072 -0.513 . . . . 10.0 109.72 179.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 79.8 mt -109.79 118.82 57.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.314 -0.403 . . . . 10.0 110.232 -179.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 62.98 29.06 16.47 Favored 'General case' 0 C--O 1.234 0.273 0 O-C-N 123.617 0.573 . . . . 10.0 110.805 -179.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.52 -3.69 81.28 Favored Glycine 0 N--CA 1.452 -0.295 0 CA-C-N 115.657 -0.701 . . . . 10.0 111.979 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -107.08 116.85 32.65 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 110.26 -0.274 . . . . 10.0 110.26 -178.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.84 125.09 24.25 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.972 -0.381 . . . . 10.0 109.972 179.552 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 39.4 m -130.56 136.99 49.47 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 121.173 0.511 . . . . 10.0 111.88 -179.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 65.0 tp -95.18 113.57 25.27 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.291 -0.868 . . . . 10.0 108.729 178.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 29.5 mt -84.59 117.93 24.04 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.824 -0.625 . . . . 10.0 112.135 -178.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -103.63 79.43 1.68 Allowed 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 107.332 -1.358 . . . . 10.0 107.332 177.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -79.92 148.14 6.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.088 -0.96 . . . . 10.0 111.834 -177.41 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 29.9 tp -135.74 111.5 9.39 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 115.645 -0.707 . . . . 10.0 110.745 179.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . 0.416 ' OD2' ' O3G' ' B' ' 201' ' ' GSP . 21.6 t70 -91.52 119.12 31.19 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.581 -0.896 . . . . 10.0 108.581 179.406 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 23.5 p -116.27 152.66 33.39 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.289 -0.414 . . . . 10.0 111.425 -178.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.34 151.96 46.01 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.393 179.344 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -130.88 37.75 2.05 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.427 -0.892 . . . . 10.0 111.997 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -91.42 12.87 19.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.838 0.351 . . . . 10.0 110.816 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 69.27 172.31 0.3 Allowed 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.501 -0.772 . . . . 10.0 112.089 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 68.8 50.4 0.64 Allowed 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 121.543 0.687 . . . . 10.0 110.195 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -135.29 41.79 2.77 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.516 -0.766 . . . . 10.0 109.391 179.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -56.49 -44.78 80.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.66 -0.7 . . . . 10.0 112.653 -178.483 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -77.43 -41.74 38.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.13 0.49 . . . . 10.0 111.883 -179.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 28.0 ttt -64.57 -40.24 95.2 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.874 -0.603 . . . . 10.0 111.821 -179.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.84 -48.19 82.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 10.0 111.663 -179.45 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -55.37 -36.85 66.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.562 -0.745 . . . . 10.0 111.798 -179.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -61.49 -60.59 3.48 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.466 0.543 . . . . 10.0 112.466 -178.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 30.1 p90 -71.85 -22.9 61.46 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 113.412 0.893 . . . . 10.0 113.412 -178.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 34.1 mtt -65.25 -32.43 74.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.081 0.467 . . . . 10.0 110.65 179.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 7.6 mtm105 -87.96 1.56 53.81 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.222 -0.444 . . . . 10.0 110.356 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 9.3 m -108.79 -51.01 2.94 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.617 -179.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.93 147.21 46.05 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 121.129 -0.558 . . . . 10.0 113.608 -179.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -95.48 -48.9 5.65 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.724 -0.473 . . . . 10.0 109.724 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -108.1 132.28 11.03 Favored Glycine 0 N--CA 1.444 -0.774 0 N-CA-C 111.364 -0.694 . . . . 10.0 111.364 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -110.84 119.88 40.57 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.348 0.594 . . . . 10.0 111.806 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 12.6 tp -90.12 104.19 16.78 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.49 -0.777 . . . . 10.0 109.466 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 35.5 m -83.66 95.01 8.24 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.458 -0.337 . . . . 10.0 110.37 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 44.9 t -98.31 123.98 51.15 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 CA-C-O 120.935 0.398 . . . . 10.0 110.769 -179.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 32.2 p90 -127.23 161.82 27.64 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.364 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -97.32 125.63 42.03 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.194 179.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 2.2 pp -64.51 -23.35 33.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 111.774 0.287 . . . . 10.0 111.774 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 27.3 p-10 -100.02 11.24 39.81 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.322 -0.399 . . . . 10.0 111.117 -179.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -136.45 95.86 3.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.103 0.478 . . . . 10.0 110.035 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.97 -30.71 68.13 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.679 -0.691 . . . . 10.0 112.23 -178.809 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -57.77 -47.7 81.78 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.192 -0.458 . . . . 10.0 111.602 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 78.6 p -62.2 -35.81 79.99 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 111.827 0.306 . . . . 10.0 111.827 -179.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -66.92 -43.52 83.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.139 0.495 . . . . 10.0 110.535 179.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -69.01 -33.01 72.97 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.064 0.459 . . . . 10.0 110.271 178.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.66 -27.48 68.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.392 -0.822 . . . . 10.0 110.983 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 44.7 mm -56.84 -38.77 60.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-N 116.092 -0.504 . . . . 10.0 110.157 178.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 57.5 t60 -62.6 -46.08 89.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.976 -0.557 . . . . 10.0 109.845 179.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 24.2 m-70 -68.57 -31.28 70.37 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.035 -0.53 . . . . 10.0 111.529 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 20.2 m-30 -67.93 -49.22 63.08 Favored 'General case' 0 CA--C 1.521 -0.165 0 N-CA-C 109.37 -0.604 . . . . 10.0 109.37 178.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -58.87 -43.37 90.84 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.756 -0.657 . . . . 10.0 111.034 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -62.15 -35.57 79.19 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.941 0.4 . . . . 10.0 110.69 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -70.54 -44.34 67.68 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.101 -0.499 . . . . 10.0 109.856 179.165 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 84.0 mt -56.7 -45.09 82.66 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.746 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 32.4 mtmt -57.67 -40.15 78.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.973 -0.558 . . . . 10.0 111.695 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 15.9 ttm180 -66.95 -45.7 76.97 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.934 -0.576 . . . . 10.0 110.877 -179.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 33.3 t -66.93 -49.28 75.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.853 -0.612 . . . . 10.0 112.348 -179.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -79.37 -11.53 59.92 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.567 -0.288 . . . . 10.0 111.297 -179.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 7.8 t70 56.65 51.19 11.44 Favored 'General case' 0 N--CA 1.465 0.31 0 O-C-N 123.638 0.586 . . . . 10.0 111.594 179.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 8.9 t -157.15 152.11 25.9 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.948 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 28.1 tp10 -93.45 -14.52 26.62 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.249 0.547 . . . . 10.0 109.795 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -112.5 106.56 15.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.947 -0.569 . . . . 10.0 110.048 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 61.9 t -131.77 132.22 23.17 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.404 -0.362 . . . . 10.0 110.325 -179.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -64.61 103.59 0.48 Allowed 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.857 2.371 . . . . 10.0 111.829 179.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 46.6 mtm -134.0 155.91 49.13 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.244 -0.434 . . . . 10.0 110.038 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 69.4 t -136.2 127.66 43.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.526 -0.546 . . . . 10.0 109.526 179.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 19.2 tp -84.92 111.87 20.06 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.399 -0.593 . . . . 10.0 109.399 179.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 77.2 t -115.86 118.22 58.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.15 -0.477 . . . . 10.0 111.664 -178.279 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -97.45 122.61 7.52 Favored Glycine 0 N--CA 1.444 -0.773 0 N-CA-C 109.451 -1.46 . . . . 10.0 109.451 178.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 116' ' ' ASN . . . . . 0.457 ' ND2' ' N7 ' ' B' ' 201' ' ' GSP . 65.0 t30 -105.95 158.56 16.69 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 117.179 0.489 . . . . 10.0 111.613 -178.755 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 70.4 mttt 68.22 29.04 6.24 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 123.862 0.726 . . . . 10.0 111.489 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 118' ' ' CYS . . . . . 0.419 ' HG ' ' CD ' ' B' ' 143' ' ' GLU . 94.3 m -64.98 -9.8 24.35 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 112.832 0.678 . . . . 10.0 112.832 -179.457 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -94.41 1.43 55.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.936 0.398 . . . . 10.0 111.465 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 21.4 mt -85.17 141.56 37.44 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.584 -0.28 . . . . 10.0 110.571 179.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -70.29 135.88 30.25 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.906 2.404 . . . . 10.0 112.431 -179.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 4.2 m 71.86 93.93 0.08 Allowed 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 113.064 0.764 . . . . 10.0 113.064 179.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -106.04 146.45 30.09 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.924 -0.58 . . . . 10.0 109.781 179.176 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.72 -49.6 8.96 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 120.697 0.284 . . . . 10.0 111.45 -179.516 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 95.7 t -89.31 118.31 34.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 N-CA-C 109.525 -0.546 . . . . 10.0 109.525 179.109 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -74.03 152.32 40.03 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.94 -0.573 . . . . 10.0 109.893 179.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 1.2 m -59.71 -31.25 69.43 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.427 -0.351 . . . . 10.0 111.021 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 31.9 mtmm -59.85 -59.55 5.24 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.305 -0.407 . . . . 10.0 111.472 179.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -64.37 -30.21 71.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.393 -0.367 . . . . 10.0 111.73 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.8 -45.0 88.12 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.939 0.4 . . . . 10.0 110.637 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -74.45 -25.18 59.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.796 179.61 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -64.28 -48.36 76.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.923 -0.581 . . . . 10.0 110.3 178.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 48.5 tp -61.5 -46.27 90.69 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.174 0.512 . . . . 10.0 110.939 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.8 -39.66 92.49 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.537 -0.756 . . . . 10.0 111.172 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 10.9 ttm180 -59.95 -46.78 88.3 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.408 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 22.3 m -69.7 -28.62 65.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.305 -0.407 . . . . 10.0 111.859 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 2.4 m-30 -78.88 -35.47 43.65 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.146 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 97.43 21.65 19.02 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.821 -0.704 . . . . 10.0 111.596 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 36.4 pt -118.06 153.21 51.17 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-O 120.6 0.238 . . . . 10.0 110.468 -179.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -78.13 146.93 23.1 Favored 'Trans proline' 0 CA--C 1.531 0.352 0 C-N-CA 122.404 2.07 . . . . 10.0 112.562 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -114.83 130.73 56.92 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.017 -0.538 . . . . 10.0 109.934 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 34.9 mt -128.86 133.67 65.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.996 0.427 . . . . 10.0 111.597 -179.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 143' ' ' GLU . . . . . 0.419 ' CD ' ' HG ' ' B' ' 118' ' ' CYS . 1.4 mm-40 -93.04 118.22 30.94 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 107.958 -1.127 . . . . 10.0 107.958 178.184 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 51.6 p -126.38 178.93 5.55 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 113.318 0.859 . . . . 10.0 113.318 -177.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 13.5 t -163.06 121.62 2.06 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.9 -1.148 . . . . 10.0 107.9 178.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -75.86 -23.74 55.69 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.299 0.571 . . . . 10.0 109.582 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 72.1 tttt -64.97 -52.53 55.78 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.055 -0.975 . . . . 10.0 111.114 179.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -92.58 -7.54 46.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.574 0.226 . . . . 10.0 111.117 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 60.69 15.6 5.94 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 113.044 0.757 . . . . 10.0 113.044 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -84.44 126.73 33.52 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.544 -179.493 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 92.57 -14.87 63.8 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 120.902 -0.666 . . . . 10.0 112.892 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 67.6 t -57.83 -48.9 82.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.923 0.392 . . . . 10.0 111.353 -179.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -63.01 -45.37 92.68 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.401 -0.363 . . . . 10.0 110.443 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -55.87 -43.75 77.43 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.716 -0.674 . . . . 10.0 111.61 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.06 -47.35 86.24 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.832 -0.622 . . . . 10.0 111.879 179.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 46.4 m-85 -66.26 -39.33 89.39 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.751 -179.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -63.71 -46.54 85.0 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.228 0.537 . . . . 10.0 110.286 179.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 59.0 m -59.99 -47.28 86.49 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.2 -0.909 . . . . 10.0 113.002 -178.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 55.2 tp -57.6 -41.82 81.98 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 111.919 0.34 . . . . 10.0 111.919 -178.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 78.6 t -61.99 -40.12 86.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.19 0.519 . . . . 10.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 -69.45 -32.52 71.51 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.883 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -67.03 -31.95 72.82 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.97 0.414 . . . . 10.0 110.18 178.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 78.6 mt -70.59 -42.91 78.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 108.645 -0.872 . . . . 10.0 108.645 178.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 24.9 ttm180 -63.61 -36.94 85.48 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 108.596 -0.89 . . . . 10.0 108.596 178.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -62.72 -43.56 98.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 114.862 -1.063 . . . . 10.0 110.23 178.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 37.8 t-80 -56.53 -50.35 72.09 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.381 -0.372 . . . . 10.0 110.468 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -62.96 -41.71 99.61 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.999 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -63.08 -50.56 70.06 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.322 179.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -59.8 -41.75 91.89 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.423 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 86.2 mmm -68.77 -28.25 66.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.35 -0.386 . . . . 10.0 111.831 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 49.7 m -71.83 -21.45 61.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.168 0.509 . . . . 10.0 110.329 179.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 42.9 mtpt -88.88 -8.5 54.16 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.816 -0.629 . . . . 10.0 109.873 179.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 173' ' ' ASP . . . . . . . . . . . . . 2.0 t70 70.8 -59.13 0.54 Allowed 'General case' 0 N--CA 1.468 0.445 0 O-C-N 124.028 0.83 . . . . 10.0 111.678 -179.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . 160.91 -136.64 4.55 Favored Glycine 0 N--CA 1.447 -0.623 0 N-CA-C 110.321 -1.112 . . . . 10.0 110.321 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 175' ' ' LYS . . . . . 0.63 ' HZ1' ' C3 ' ' B' ' 210' ' ' 17F . 5.9 ttpp -107.59 57.1 0.63 Allowed 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 108.74 -0.837 . . . . 10.0 108.74 179.137 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 176' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -76.87 -35.03 57.73 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.924 -0.58 . . . . 10.0 111.778 -179.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 177' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -97.55 123.66 41.51 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 112.232 0.456 . . . . 10.0 112.232 -178.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 178' ' ' LYS . . . . . 0.501 ' NZ ' ' O4 ' ' B' ' 210' ' ' 17F . 9.3 ttmm -114.82 135.76 53.83 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.17 -0.678 . . . . 10.0 109.17 178.412 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 179' ' ' LYS . . . . . . . . . . . . . 36.7 tptt -104.12 80.15 1.69 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.042 0.448 . . . . 10.0 111.232 -179.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -126.86 96.55 4.67 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.169 -0.468 . . . . 10.0 110.45 179.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 4.3 m -88.95 131.13 35.29 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.406 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.74 -154.57 0.64 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.372 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.81 -68.97 0.35 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.429 -0.35 . . . . 10.0 111.093 179.768 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 184' ' ' LYS . . . . . 0.443 ' H ' ' C8 ' ' A' ' 409' ' ' PCW . 48.1 tttp . . . . . 0 C--O 1.234 0.243 0 CA-C-N 116.567 -0.288 . . . . 10.0 110.715 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 C--O 1.234 0.243 0 CA-C-O 120.523 0.202 . . . . 10.0 110.786 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 3.3 m -68.09 121.78 16.86 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 120.784 0.326 . . . . 10.0 110.962 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -92.25 137.18 32.58 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.827 0.346 . . . . 10.0 111.175 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -127.28 120.6 29.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.087 179.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 49.9 mttm -88.52 109.09 19.77 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.231 0.539 . . . . 10.0 110.495 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 11.1 mt -109.67 118.65 37.12 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.239 -0.891 . . . . 10.0 110.503 -179.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 17.2 t -104.59 131.53 53.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 110.131 -0.322 . . . . 10.0 110.131 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 3.3 t -92.59 108.32 20.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 109.687 -0.486 . . . . 10.0 109.687 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 15.8 m -106.98 147.45 12.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.569 -179.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 150.34 170.23 17.32 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.613 -0.803 . . . . 10.0 111.318 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.19 175.11 6.33 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.17 0.509 . . . . 10.0 110.586 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.03 153.37 21.06 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.037 -0.529 . . . . 10.0 111.071 179.708 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 79.29 4.77 89.15 Favored Glycine 0 N--CA 1.447 -0.595 0 CA-C-N 115.582 -0.735 . . . . 10.0 113.261 179.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 17.0 m -86.56 -25.7 6.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 117.117 0.459 . . . . 10.0 111.317 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 113.59 26.52 3.9 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 120.515 -0.85 . . . . 10.0 114.14 178.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 1.4 mtmm -62.85 -39.17 93.55 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 121.379 0.609 . . . . 10.0 110.789 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 3.8 m -74.93 -43.94 51.36 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.473 -0.785 . . . . 10.0 110.268 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.43 -44.99 76.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.066 -0.515 . . . . 10.0 111.232 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 94.9 mt -63.29 -52.53 61.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 10.0 111.85 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 3.7 m -63.36 -42.23 98.89 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.191 0.441 . . . . 10.0 112.191 -179.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 95.5 mt -64.49 -27.96 43.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.961 0.41 . . . . 10.0 110.765 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -68.12 -14.74 63.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.135 -0.484 . . . . 10.0 111.618 179.18 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 23.1 tp -107.28 -35.46 6.81 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.89 0.376 . . . . 10.0 110.179 178.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 48.4 mm -75.97 -48.32 29.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.26 -0.427 . . . . 10.0 111.517 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -108.46 -17.24 14.03 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.728 0.299 . . . . 10.0 110.527 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 65.52 37.5 6.03 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.806 -0.634 . . . . 10.0 111.279 -179.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -137.76 152.72 49.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.705 -0.68 . . . . 10.0 109.853 179.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -96.67 120.69 37.46 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.506 -0.316 . . . . 10.0 111.266 -179.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -78.96 111.79 16.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.026 -0.533 . . . . 10.0 109.821 179.585 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -91.53 -11.52 37.12 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.115 0.483 . . . . 10.0 110.108 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -106.64 119.64 39.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.456 -0.793 . . . . 10.0 109.658 178.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -65.22 135.39 55.36 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.357 0.503 . . . . 10.0 112.357 -178.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . 0.432 ' O ' ' S1G' ' C' ' 201' ' ' GSP . 35.3 t70 -139.45 106.02 7.11 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 115.954 -0.566 . . . . 10.0 109.627 178.11 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_exo -53.11 124.41 15.55 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 123.179 2.586 . . . . 10.0 112.279 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 35' ' ' THR . . . . . 0.413 ' OG1' ' O3G' ' C' ' 201' ' ' GSP . 3.3 m -98.55 122.11 41.34 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.585 -179.453 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 47.9 mm -93.54 -49.7 12.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 108.996 -0.742 . . . . 10.0 108.996 178.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -168.15 85.05 0.19 Allowed 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.363 -0.835 . . . . 10.0 109.166 179.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -114.5 123.12 48.61 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.418 -0.355 . . . . 10.0 110.626 -179.282 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 1.5 m -95.63 147.8 23.21 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.992 -179.119 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -129.01 136.92 50.96 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.493 -0.558 . . . . 10.0 109.493 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -128.11 139.73 52.34 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 121.28 -0.168 . . . . 10.0 110.555 179.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 42.4 tttp -158.2 161.77 37.84 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.413 -0.358 . . . . 10.0 110.272 -179.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -129.86 112.42 13.55 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.576 -0.528 . . . . 10.0 109.576 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 24.4 m -135.5 164.44 32.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.783 0.325 . . . . 10.0 111.105 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 62.4 t -98.53 116.82 42.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.304 179.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 75.0 mt -119.69 120.16 62.56 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 CA-C-N 115.806 -0.633 . . . . 10.0 110.12 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 47' ' ' ASP . . . . . 0.488 ' CB ' HH11 ' C' ' 164' ' ' ARG . 41.2 m-20 63.05 16.83 9.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.492 -0.776 . . . . 10.0 111.612 -179.444 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.07 -7.48 52.42 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.898 -0.667 . . . . 10.0 112.551 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -105.46 135.25 47.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.563 0.221 . . . . 10.0 110.666 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 1.7 m -80.61 105.79 12.12 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.997 -1.112 . . . . 10.0 107.997 178.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 3.1 m -103.76 138.02 40.97 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 112.554 0.576 . . . . 10.0 112.554 -177.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 47.9 tp -91.03 115.9 28.38 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.447 -1.316 . . . . 10.0 107.447 177.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 34.0 mt -88.37 120.59 29.89 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 112.724 0.639 . . . . 10.0 112.724 -177.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -111.16 81.98 1.53 Allowed 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 107.171 -1.418 . . . . 10.0 107.171 177.136 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 1.1 mp -92.78 154.24 3.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.695 -0.684 . . . . 10.0 111.612 -178.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 21.3 tp -151.92 120.07 6.3 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.801 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -96.01 118.64 33.01 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 108.746 -0.835 . . . . 10.0 108.746 178.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 15.7 p -103.24 171.86 7.14 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.175 0.512 . . . . 10.0 112.089 -178.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.86 145.91 49.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.813 -0.63 . . . . 10.0 111.149 -179.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -123.03 29.17 5.42 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.844 -0.694 . . . . 10.0 111.382 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -103.24 19.85 18.84 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.698 0.285 . . . . 10.0 110.685 -179.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 61.36 -154.18 0.36 Allowed 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.042 -179.019 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 71.45 -50.03 0.69 Allowed 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 113.154 0.798 . . . . 10.0 113.154 179.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -78.23 58.33 2.04 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.406 -0.361 . . . . 10.0 111.941 -179.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 1.1 m -68.28 -42.73 79.09 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.492 -0.322 . . . . 10.0 110.883 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.31 -33.28 49.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.947 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 4.3 ttp -68.9 -36.9 78.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.297 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 68' ' ' ARG . . . . . . . . . . . . . 12.8 ttp180 -65.1 -31.45 72.67 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.813 -0.63 . . . . 10.0 110.777 179.36 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -58.95 -38.23 78.57 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.569 -0.741 . . . . 10.0 111.06 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -59.17 -48.16 82.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.958 -0.565 . . . . 10.0 111.763 -179.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 71' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -66.71 -29.59 69.62 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.55 -0.295 . . . . 10.0 111.577 -178.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -64.41 -35.41 80.82 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.847 0.684 . . . . 10.0 112.847 -178.754 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 30.0 mtm180 -78.79 -33.69 46.08 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.553 0.575 . . . . 10.0 112.553 -179.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 3.0 m -80.83 -41.97 22.39 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.304 0.483 . . . . 10.0 112.304 -179.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -69.2 148.57 47.72 Favored Glycine 0 CA--C 1.52 0.357 0 C-N-CA 121.075 -0.583 . . . . 10.0 113.638 -178.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -98.88 -56.3 2.47 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.783 -0.451 . . . . 10.0 109.783 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -107.28 139.25 14.89 Favored Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 111.328 -0.709 . . . . 10.0 111.328 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 78' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -116.41 119.45 35.7 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.118 0.485 . . . . 10.0 111.828 -179.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 14.0 tp -94.3 102.8 14.81 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.676 -0.693 . . . . 10.0 110.047 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -82.58 102.57 11.5 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.244 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 61.2 t -105.68 131.17 55.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.041 -0.527 . . . . 10.0 111.203 -179.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -139.53 155.68 47.37 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.118 179.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -89.61 127.95 35.98 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.353 -0.61 . . . . 10.0 109.353 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 84' ' ' ILE . . . . . . . . . . . . . 31.3 pt -67.43 -12.07 14.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 112.149 0.426 . . . . 10.0 112.149 -179.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -92.98 -3.85 53.71 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.839 -0.619 . . . . 10.0 110.674 179.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -128.44 106.13 8.78 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.116 0.484 . . . . 10.0 111.273 -179.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.98 -26.85 68.47 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.787 -0.642 . . . . 10.0 110.766 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 24.4 tptp -59.92 -46.72 88.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.641 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.43 -25.36 65.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.469 -0.332 . . . . 10.0 111.689 179.774 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -66.19 -44.13 84.83 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.727 -0.471 . . . . 10.0 109.727 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -73.11 -31.08 64.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.815 -0.63 . . . . 10.0 110.374 178.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.39 -38.88 72.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.459 -0.792 . . . . 10.0 110.232 179.539 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 42.0 mm -57.13 -39.98 70.31 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 CA-C-N 115.719 -0.673 . . . . 10.0 111.44 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -60.31 -45.3 93.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.081 -0.509 . . . . 10.0 111.014 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 38.9 m-70 -64.0 -38.34 90.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.69 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -64.65 -43.95 92.0 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.286 179.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 29.1 ttt-85 -58.0 -43.05 86.43 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.325 -0.398 . . . . 10.0 111.154 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -63.85 -41.62 97.77 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.936 -0.575 . . . . 10.0 111.807 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -67.97 -45.09 75.16 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 121.078 -0.249 . . . . 10.0 111.138 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 94.6 mt -54.75 -47.73 73.66 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 CA-C-O 120.671 0.272 . . . . 10.0 111.154 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 17.9 mtmt -64.69 -30.48 71.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.992 0.425 . . . . 10.0 111.671 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 4.3 ttm180 -74.15 -44.46 53.49 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.701 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 61.5 t -68.73 -44.45 82.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.926 -0.579 . . . . 10.0 111.901 -178.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -85.58 -10.9 55.22 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.828 0.307 . . . . 10.0 111.828 -179.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 14.8 t70 54.1 53.28 11.32 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.5 0.666 . . . . 10.0 111.487 -179.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 64.4 m -155.84 129.49 8.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.393 -0.821 . . . . 10.0 109.731 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 32.3 tp10 -76.33 -25.44 54.73 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.148 0.499 . . . . 10.0 110.294 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -103.48 97.67 7.69 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.161 -0.472 . . . . 10.0 111.184 -179.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 58.2 t -123.39 125.82 26.02 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 115.767 -0.651 . . . . 10.0 109.824 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_endo -57.78 105.99 0.23 Allowed 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.944 2.429 . . . . 10.0 112.147 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 111' ' ' MET . . . . . . . . . . . . . 50.6 mtm -138.66 156.15 47.67 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.414 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 92.1 t -133.74 128.73 54.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.866 -0.606 . . . . 10.0 109.373 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 15.0 tp -84.79 118.1 24.25 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.477 -0.564 . . . . 10.0 109.477 179.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 82.9 t -121.82 126.6 74.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.232 0.539 . . . . 10.0 111.818 -178.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -103.41 129.08 9.74 Favored Glycine 0 N--CA 1.441 -0.994 0 N-CA-C 109.586 -1.405 . . . . 10.0 109.586 178.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -110.39 165.03 12.11 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 117.084 0.442 . . . . 10.0 111.638 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 95.9 mttt 69.35 34.91 2.76 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.322 -0.854 . . . . 10.0 112.281 179.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 118' ' ' CYS . . . . . . . . . . . . . 64.6 m -71.57 -11.31 60.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 10.0 111.541 179.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -76.46 -34.17 58.71 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.119 0.485 . . . . 10.0 109.806 179.065 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 91.7 mt -67.88 134.72 92.05 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 115.678 -0.692 . . . . 10.0 111.487 -179.333 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_exo -73.49 172.4 15.78 Favored 'Trans proline' 0 C--O 1.237 0.473 0 C-N-CA 123.423 2.748 . . . . 10.0 111.889 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 5.7 m 59.25 57.06 3.57 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.724 -0.671 . . . . 10.0 111.497 -179.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.27 124.76 24.37 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.917 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -78.25 -38.69 42.25 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.142 0.496 . . . . 10.0 110.117 179.461 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 48.0 t -101.29 122.21 53.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.421 179.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -86.26 162.1 18.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.838 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 1.5 m -62.93 -42.21 99.73 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.047 -0.524 . . . . 10.0 111.716 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 11.7 pttp -54.11 -57.87 9.46 Favored 'General case' 0 C--N 1.334 -0.099 0 N-CA-C 113.149 0.796 . . . . 10.0 113.149 -178.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -59.24 -36.68 75.9 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.729 0.64 . . . . 10.0 112.729 -178.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -75.66 -38.5 58.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.063 0.459 . . . . 10.0 111.175 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -71.44 -45.82 61.65 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.117 -0.492 . . . . 10.0 112.015 -179.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -62.94 -33.88 76.29 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.99 0.424 . . . . 10.0 110.444 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 27.1 tp -64.36 -47.48 79.14 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.891 -0.781 . . . . 10.0 108.891 178.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.79 -37.79 88.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.34 -0.845 . . . . 10.0 110.415 178.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? -62.67 -47.13 85.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.689 -0.687 . . . . 10.0 110.229 179.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 21.9 m -61.46 -35.47 77.7 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.77 -0.65 . . . . 10.0 112.003 -179.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 20.5 m-30 -84.8 -32.52 23.3 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 111.994 0.368 . . . . 10.0 111.994 -178.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 104.2 37.83 2.8 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.703 -0.761 . . . . 10.0 113.297 179.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 11.9 pt -133.67 157.36 78.12 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 122.565 -0.373 . . . . 10.0 110.5 179.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -84.0 152.09 12.67 Favored 'Trans proline' 0 N--CA 1.462 -0.376 0 C-N-CA 122.424 2.083 . . . . 10.0 112.13 179.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -124.39 133.79 53.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.143 -0.481 . . . . 10.0 110.099 179.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 60.1 mt -131.08 126.92 60.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.762 0.315 . . . . 10.0 111.248 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -86.78 123.36 31.84 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.517 -0.92 . . . . 10.0 108.517 178.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 26.7 p -138.15 177.57 7.78 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.885 0.85 . . . . 10.0 112.288 -178.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.21 122.66 3.32 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.729 -1.123 . . . . 10.0 108.033 178.442 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -64.58 -26.12 68.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.916 0.388 . . . . 10.0 111.096 -179.148 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 5.0 mtpt -61.16 -50.22 74.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.795 -0.639 . . . . 10.0 111.042 179.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -86.65 -22.84 25.91 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.204 -179.566 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 65.07 14.21 9.21 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.517 0.675 . . . . 10.0 111.979 -179.307 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -82.92 124.03 29.97 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.374 -0.83 . . . . 10.0 110.861 -179.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 85.01 -13.27 55.14 Favored Glycine 0 C--N 1.33 0.211 0 CA-C-N 116.116 -0.493 . . . . 10.0 113.427 178.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 46.7 t -60.56 -33.91 56.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.042 0.449 . . . . 10.0 110.806 -179.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -66.48 -53.11 38.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.981 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -65.44 -25.83 67.69 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 112.552 0.575 . . . . 10.0 112.552 -178.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.86 -44.72 96.63 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.23 0.538 . . . . 10.0 109.566 178.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -75.69 -32.71 60.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.552 179.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 21.7 m-30 -68.4 -43.31 77.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.321 -0.4 . . . . 10.0 110.802 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 92.8 m -65.29 -30.79 71.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 10.0 111.382 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 34.5 tp -62.91 -40.28 97.1 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.485 -0.561 . . . . 10.0 109.485 178.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 39.6 t -69.33 -36.51 72.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.639 -0.709 . . . . 10.0 109.137 178.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 -60.65 -42.28 96.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.156 -0.929 . . . . 10.0 111.041 179.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -64.05 -38.76 92.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.539 -0.3 . . . . 10.0 110.594 179.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 73.6 mt -63.27 -49.02 84.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 CA-C-N 116.253 -0.43 . . . . 10.0 109.904 179.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 164' ' ' ARG . . . . . 0.488 HH11 ' CB ' ' C' ' 47' ' ' ASP . 18.8 ttm180 -63.69 -31.76 73.04 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.302 179.681 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 25.6 ttmt -66.06 -52.17 51.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.958 -0.565 . . . . 10.0 109.916 178.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 -58.82 -52.11 67.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.744 -0.662 . . . . 10.0 111.434 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -55.88 -40.78 73.47 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.3 0.481 . . . . 10.0 112.3 -179.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -72.61 -47.36 48.47 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.873 0.368 . . . . 10.0 111.185 -179.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 12.7 mtpt -63.44 -29.47 70.75 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.492 0.552 . . . . 10.0 112.492 -178.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 73.3 mmm -71.47 -23.08 61.76 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.764 0.316 . . . . 10.0 111.583 179.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 4.4 m -68.98 -13.28 62.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.966 0.413 . . . . 10.0 111.521 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.31 20.75 7.39 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.073 179.243 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 173' ' ' ASP . . . . . . . . . . . . . 14.9 t70 68.97 -72.14 0.11 Allowed 'General case' 0 N--CA 1.467 0.403 0 O-C-N 123.88 0.738 . . . . 10.0 110.647 -178.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . -140.08 -78.76 0.06 OUTLIER Glycine 0 N--CA 1.442 -0.96 0 N-CA-C 109.57 -1.412 . . . . 10.0 109.57 179.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 175' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -107.16 -83.59 0.53 Allowed 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.85 -0.426 . . . . 10.0 109.85 178.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 176' ' ' LYS . . . . . 0.579 ' HZ1' ' C3 ' ' C' ' 214' ' ' 17F . 97.4 mttt 51.19 34.52 11.43 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.409 0.522 . . . . 10.0 112.409 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 177' ' ' LYS . . . . . . . . . . . . . 29.7 ttmt -113.4 -109.52 0.36 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.373 -0.376 . . . . 10.0 110.448 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 178' ' ' LYS . . . . . . . . . . . . . 25.6 tptp 49.46 59.29 4.6 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.356 0.598 . . . . 10.0 110.625 -179.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 179' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -66.01 -55.39 16.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.643 -0.708 . . . . 10.0 111.758 -178.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 180' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -72.72 92.4 1.55 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.972 -0.558 . . . . 10.0 111.004 -179.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 17.8 m -140.69 168.82 18.89 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.17 -0.468 . . . . 10.0 111.209 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 182' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -121.62 79.72 1.59 Allowed 'General case' 0 CA--C 1.533 0.295 0 CA-C-O 121.228 0.537 . . . . 10.0 110.143 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.04 76.82 8.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.933 -0.576 . . . . 10.0 112.17 -178.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 184' ' ' LYS . . . . . . . . . . . . . 52.5 mttm . . . . . 0 C--N 1.326 -0.416 0 N-CA-C 111.838 0.31 . . . . 10.0 111.838 179.787 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 401' ' ' PCW . . . . . 0.471 ' C38' ' C17' ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 402' ' ' PCW . . . . . 0.431 ' C35' ' C31' ' A' ' 402' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 403' ' ' PCW . . . . . 0.756 ' C31' ' C36' ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 404' ' ' PCW . . . . . 0.73 ' C22' ' C18' ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 405' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 406' ' ' PCW . . . . . 0.43 ' C35' ' C9 ' ' B' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 407' ' ' PCW . . . . . 0.7 ' C21' ' C17' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 408' ' ' PCW . . . . . 0.625 ' C3 ' ' O2P' ' A' ' 408' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 409' ' ' PCW . . . . . 0.802 ' C14' ' C19' ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 410' ' ' PCW . . . . . 0.5 ' C33' ' C12' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 411' ' ' PCW . . . . . 0.504 ' C31' ' O3 ' ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 412' ' ' PCW . . . . . 0.527 ' O31' ' O3 ' ' A' ' 412' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 413' ' ' PCW . . . . . 0.551 ' C11' ' O31' ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 414' ' ' PCW . . . . . 0.635 ' C47' ' C43' ' A' ' 414' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 415' ' ' 17F . . . . . 0.589 ' C2 ' ' O1 ' ' A' ' 415' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 416' ' ' 17F . . . . . 0.482 ' O10' ' O6 ' ' A' ' 416' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 417' ' ' PCW . . . . . 0.597 ' O31' ' O3P' ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 418' ' ' PCW . . . . . 0.664 ' O3P' ' O31' ' A' ' 418' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 419' ' ' PCW . . . . . 0.593 ' O3 ' ' O31' ' A' ' 419' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 420' ' ' PCW . . . . . 0.505 ' C31' ' O3 ' ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 421' ' ' PCW . . . . . 0.619 ' C12' ' C9 ' ' D' ' 630' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 422' ' ' 17F . . . . . 0.587 ' P1 ' ' O10' ' A' ' 422' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 601' ' ' PCW . . . . . 0.609 ' C42' ' C46' ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 602' ' ' PCW . . . . . 0.572 ' C3 ' ' O31' ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 603' ' ' PCW . . . . . 0.439 ' C22' ' C33' ' D' ' 611' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 604' ' ' PCW . . . . . 0.632 ' C11' ' C31' ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 605' ' ' PCW . . . . . 0.7 ' O31' ' P ' ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 606' ' ' PCW . . . . . 0.621 ' C17' ' C21' ' D' ' 606' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 607' ' ' PCW . . . . . 0.554 ' C3 ' ' C37' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 608' ' ' PCW . . . . . 0.547 ' C17' ' C18' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 609' ' ' PCW . . . . . 0.478 ' O3 ' ' O31' ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 610' ' ' PCW . . . . . 0.579 ' C20' ' C24' ' D' ' 610' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 611' ' ' PCW . . . . . 0.439 ' C33' ' C22' ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 612' ' ' PCW . . . . . 0.499 ' O2P' ' C4 ' ' D' ' 620' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 613' ' ' PCW . . . . . 0.759 ' C21' ' C17' ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 614' ' ' PCW . . . . . 0.561 ' C5 ' ' O1P' ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 615' ' ' PCW . . . . . 0.672 ' C46' ' C42' ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 616' ' ' PCW . . . . . 0.462 ' C7 ' ' O11' ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 617' ' ' PCW . . . . . 0.55 ' C39' ' C16' ' D' ' 619' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 618' ' ' PCW . . . . . 0.611 ' C23' ' C27' ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 619' ' ' PCW . . . . . 0.614 ' C35' ' C34' ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 620' ' ' PCW . . . . . 0.499 ' C4 ' ' O2P' ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 621' ' ' PCW . . . . . 0.514 ' O31' ' O3P' ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 622' ' ' PCW . . . . . 0.476 ' C3 ' ' P ' ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 623' ' ' PCW . . . . . 0.72 ' C32' ' C36' ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 624' ' ' PCW . . . . . 0.67 ' C24' ' C20' ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 625' ' ' PCW . . . . . 0.611 ' C15' ' C19' ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 626' ' ' PCW . . . . . 0.661 ' C23' ' C27' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 627' ' ' PCW . . . . . 0.614 ' C34' ' C35' ' D' ' 619' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 628' ' ' 17F . . . . . 0.643 ' C31' ' C19' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 629' ' ' 17F . . . . . 0.586 ' O7 ' ' C17' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 630' ' ' 17F . . . . . 0.619 ' C9 ' ' C12' ' A' ' 421' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 631' ' ' 17F . . . . . 0.497 ' O8 ' ' C4 ' ' D' ' 610' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 632' ' ' 17F . . . . . 0.495 ' C17' ' C12' ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 201' ' ' GSP . . . . . 0.603 ' O3G' 'MG ' ' B' ' 202' ' ' ' MG' . . . . . . . . 0 O4'--C1' 1.438 2.04 2 O4'-C1'-N19 113.258 5.058 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 202' ' ' ' MG' . . . . . 0.603 'MG ' ' O3G' ' B' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 203' ' ' PCW . . . . . 0.53 ' C11' ' O31' ' B' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 204' ' ' PCW . . . . . 0.669 ' C21' ' C17' ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 205' ' ' PCW . . . . . 0.63 ' C21' ' C25' ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 206' ' ' PCW . . . . . 0.559 ' C6 ' ' O4P' ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 207' ' ' PCW . . . . . 0.573 ' O1P' ' C3 ' ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 208' ' ' PCW . . . . . 0.645 ' C43' ' C47' ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 209' ' ' 17F . . . . . 0.667 ' C31' ' C19' ' B' ' 209' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 210' ' ' 17F . . . . . 0.678 ' C24' ' C12' ' B' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 211' ' ' 17F . . . . . 0.548 ' C17' ' C7 ' ' B' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 201' ' ' GSP . . . . . 0.628 ' O3G' 'MG ' ' C' ' 202' ' ' ' MG' . . . . . . . . 0 O4'--C1' 1.438 1.988 2 O4'-C1'-N19 113.304 5.104 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 202' ' ' ' MG' . . . . . 0.628 'MG ' ' O3G' ' C' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 203' ' ' PCW . . . . . 0.66 ' C21' ' C25' ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 204' ' ' PCW . . . . . 0.649 ' C42' ' C46' ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 205' ' ' PCW . . . . . 0.522 ' C3 ' ' C15' ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 206' ' ' PCW . . . . . 0.521 ' O31' ' O3 ' ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 207' ' ' PCW . . . . . 0.564 ' O31' ' C1 ' ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 208' ' ' PCW . . . . . 0.49 ' C17' ' C18' ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 209' ' ' PCW . . . . . 0.664 ' C22' ' C26' ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 210' ' ' PCW . . . . . 0.665 ' C26' ' C22' ' C' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 211' ' ' PCW . . . . . 0.602 ' O31' ' O3P' ' C' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 212' ' ' PCW . . . . . 0.667 ' C20' ' C24' ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 213' ' ' 17F . . . . . 0.502 ' O7 ' ' O10' ' C' ' 213' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 214' ' ' 17F . . . . . 0.579 ' C3 ' ' HZ1' ' C' ' 176' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 215' ' ' 17F . . . . . 0.619 ' HN1' ' C4 ' ' C' ' 215' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 216' ' ' PCW . . . . . 0.472 ' O2 ' ' O11' ' C' ' 216' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 217' ' ' PCW . . . . . 0.553 ' C35' ' C20' ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 218' ' ' 17F . . . . . 0.646 ' O7 ' ' C18' ' C' ' 218' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 219' ' ' 17F . . . . . 0.517 ' C37' ' C25' ' A' ' 422' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 77.3 mt . . . . . 0 C--O 1.233 0.202 0 CA-C-O 120.931 0.396 . . . . 10.0 110.796 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -61.71 -44.86 96.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.524 -0.762 . . . . 10.0 111.254 -179.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 78.9 mt -64.74 -44.84 88.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.189 -0.46 . . . . 10.0 111.163 -179.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 29.9 mt -65.74 -36.42 83.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.984 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -66.01 -51.19 60.53 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.867 -0.606 . . . . 10.0 111.08 -179.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -67.32 -34.32 77.1 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.438 -0.346 . . . . 10.0 111.353 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 54.0 t90 -60.77 -31.43 70.79 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.808 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -64.82 -41.12 96.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.26 -0.427 . . . . 10.0 109.857 179.299 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 1.3 m -67.18 -34.62 77.91 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.324 0.583 . . . . 10.0 109.996 179.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 84.0 t -68.42 -45.18 82.63 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 N-CA-C 109.172 -0.677 . . . . 10.0 109.172 178.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 41.2 m -64.18 -42.23 96.79 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.684 -0.689 . . . . 10.0 111.758 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 2.0 p -62.47 -36.4 82.37 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.928 -0.397 . . . . 10.0 109.928 178.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 47.1 m -65.88 -39.5 90.73 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.873 -0.788 . . . . 10.0 108.873 178.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -63.62 -38.56 91.6 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.539 178.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 15.2 m -65.2 -45.54 84.36 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 109.426 -0.583 . . . . 10.0 109.426 178.383 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 216' ' ' LYS . . . . . 0.422 ' HZ3' ' CD ' ' D' ' 560' ' ' GLU . 39.0 mmtt -61.77 -33.87 74.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.733 -0.667 . . . . 10.0 110.094 179.162 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 66.5 mt -63.39 -43.42 97.62 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.713 -0.676 . . . . 10.0 110.038 179.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -66.41 -40.39 89.57 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.445 -0.343 . . . . 10.0 111.102 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -65.16 -18.09 65.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.767 -0.651 . . . . 10.0 110.823 179.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -98.4 -40.58 8.22 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.122 -0.695 . . . . 10.0 109.122 178.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 33.9 mt -55.87 -37.27 68.57 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.727 -0.67 . . . . 10.0 111.528 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -54.04 -68.89 1.42 Allowed Glycine 0 C--N 1.335 0.477 0 N-CA-C 110.461 -1.056 . . . . 10.0 110.461 178.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -53.09 -39.2 80.7 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.79 2.327 . . . . 10.0 110.804 177.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 24.4 t -57.59 -51.68 66.95 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.247 0 CA-C-N 116.398 -0.364 . . . . 10.0 111.268 179.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 3.2 p -61.77 -29.91 70.45 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.562 -0.455 . . . . 10.0 111.498 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -70.42 -50.09 42.07 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.495 -0.557 . . . . 10.0 109.495 179.189 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -66.26 -38.33 87.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.121 179.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -65.33 -45.72 83.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.332 179.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -66.28 -33.04 74.83 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 116.301 -0.409 . . . . 10.0 110.436 179.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -62.33 -45.52 92.83 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.424 -0.584 . . . . 10.0 109.424 178.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -67.12 -43.31 82.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.708 -0.678 . . . . 10.0 109.666 178.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 82.5 mt -59.91 -46.12 90.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.715 -0.675 . . . . 10.0 110.693 179.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -60.19 -36.02 76.69 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 115.852 -0.613 . . . . 10.0 111.113 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -72.59 -38.34 67.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.101 0.477 . . . . 10.0 109.834 178.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -68.75 -47.85 65.22 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.164 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 13.3 p -65.68 -33.45 75.92 Favored 'General case' 0 CA--C 1.521 -0.144 0 N-CA-C 109.641 -0.503 . . . . 10.0 109.641 179.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -59.22 -42.85 91.95 Favored 'General case' 0 CA--C 1.52 -0.19 0 N-CA-C 108.727 -0.842 . . . . 10.0 108.727 178.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -61.95 -44.83 97.27 Favored Glycine 0 N--CA 1.442 -0.965 0 N-CA-C 110.12 -1.192 . . . . 10.0 110.12 178.234 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 96.4 mt -61.38 -37.15 82.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.0 0.428 . . . . 10.0 110.711 179.019 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 73.8 mtt180 -64.89 -41.86 95.27 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.962 -0.563 . . . . 10.0 109.714 178.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -72.7 -43.67 62.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.681 -0.69 . . . . 10.0 109.909 179.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -67.78 -17.02 64.39 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 116.046 -0.524 . . . . 10.0 110.79 179.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 36.9 ttm -64.76 -29.77 70.75 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.783 -0.821 . . . . 10.0 108.783 178.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 11.1 m -80.74 7.62 9.91 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.422 -0.808 . . . . 10.0 110.028 178.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -125.1 -60.18 1.36 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.628 -0.715 . . . . 10.0 109.435 179.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 246' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.82 -64.06 1.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.768 -0.651 . . . . 10.0 110.741 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . 34.0 mt -69.96 -27.77 65.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.08 -0.509 . . . . 10.0 112.198 -178.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -73.03 -54.32 8.87 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 120.645 -0.422 . . . . 10.0 111.067 179.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -65.9 -34.73 78.79 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.8 -0.182 . . . . 10.0 110.986 179.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 250' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -64.59 -28.49 44.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 C-N-CA 120.905 -0.318 . . . . 10.0 111.531 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -97.18 -29.67 13.45 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.873 0.368 . . . . 10.0 111.319 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -71.26 -37.68 71.91 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.792 -0.818 . . . . 10.0 108.792 178.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -88.48 -14.11 38.66 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.322 -0.854 . . . . 10.0 110.16 178.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 254' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.79 -31.65 53.04 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.148 0 C-N-CA 121.003 -0.279 . . . . 10.0 110.722 179.685 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -60.9 -61.81 7.24 Favored Pre-proline 0 N--CA 1.45 -0.427 0 CA-C-N 116.255 -0.43 . . . . 10.0 111.112 179.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -67.34 -33.17 30.93 Favored 'Trans proline' 0 C--N 1.354 0.844 0 C-N-CA 121.439 1.426 . . . . 10.0 112.156 179.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 5.4 m-30 -64.01 -55.36 22.91 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 120.798 0.332 . . . . 10.0 110.86 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 43.7 mt -66.2 -40.21 90.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.308 -0.406 . . . . 10.0 110.705 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -59.23 -40.73 86.82 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.476 179.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -63.91 -55.32 23.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.483 179.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -58.23 -43.93 87.99 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.838 -0.619 . . . . 10.0 110.799 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -64.42 -41.72 96.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.085 -0.507 . . . . 10.0 111.271 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 10.7 ttmt -59.82 -47.42 85.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.17 0.51 . . . . 10.0 110.259 179.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 264' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -70.15 -38.46 75.48 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.614 -0.721 . . . . 10.0 110.684 179.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 2.1 m95 -60.2 -42.06 94.28 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.363 178.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -59.41 -46.36 88.92 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.012 -0.54 . . . . 10.0 109.833 178.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -63.01 -43.3 99.16 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.056 179.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -60.27 -44.51 95.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.774 -0.648 . . . . 10.0 110.408 178.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 95.5 mmm -67.12 -37.96 84.77 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.189 -0.459 . . . . 10.0 110.023 179.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -63.12 -49.85 72.79 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 116.036 -0.529 . . . . 10.0 109.641 179.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 93.1 mt -61.72 -39.62 92.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.351 179.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -62.02 -44.89 95.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.423 179.041 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 -74.35 -33.34 63.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.204 -0.453 . . . . 10.0 111.24 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -65.61 -44.41 86.61 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.765 -0.457 . . . . 10.0 109.765 179.095 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 275' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -78.3 -27.13 47.25 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.857 -0.61 . . . . 10.0 111.446 179.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -59.89 -26.95 37.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 N-CA-C 111.836 0.31 . . . . 10.0 111.836 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -64.84 -63.84 3.26 Favored Pre-proline 0 CA--C 1.533 0.298 0 C-N-CA 120.941 -0.304 . . . . 10.0 111.162 178.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -61.11 -35.97 83.76 Favored 'Trans proline' 0 C--N 1.356 0.936 0 C-N-CA 121.642 1.561 . . . . 10.0 111.257 178.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 10.9 mt -61.92 -43.62 98.47 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.638 0.256 . . . . 10.0 110.55 179.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -66.24 -36.94 84.34 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.669 -0.493 . . . . 10.0 109.669 178.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -64.29 -43.35 95.02 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.866 -0.606 . . . . 10.0 109.705 178.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.66 -43.83 88.17 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.109 0.48 . . . . 10.0 109.946 178.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 17.1 mt -63.54 -39.49 94.55 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.464 179.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -70.02 -48.37 58.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.656 179.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -60.47 -41.94 95.21 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.179 0.514 . . . . 10.0 109.936 179.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -68.62 -49.1 45.95 Favored Glycine 0 N--CA 1.44 -1.049 0 CA-C-N 115.263 -0.88 . . . . 10.0 110.999 178.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -55.08 -48.45 73.52 Favored 'General case' 0 C--O 1.223 -0.292 0 O-C-N 123.515 0.186 . . . . 10.0 110.986 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 12.2 mtt85 -55.89 -50.67 70.02 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 123.381 0.426 . . . . 10.0 111.463 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -66.34 -43.46 86.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.769 0.319 . . . . 10.0 111.084 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 74.4 mttt -61.94 -42.88 99.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.296 -0.411 . . . . 10.0 110.358 179.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 82.0 mt -66.75 -35.05 79.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 10.0 109.966 178.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 6.9 m170 -62.88 -47.09 84.83 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 108.696 -0.853 . . . . 10.0 108.696 178.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -60.55 -39.81 89.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.05 -0.977 . . . . 10.0 109.115 178.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 64.6 mt -64.7 -44.98 88.52 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 115.696 -0.684 . . . . 10.0 110.782 179.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -61.71 -40.42 94.99 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 120.834 0.35 . . . . 10.0 111.032 179.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -62.97 -13.59 36.86 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.064 -0.516 . . . . 10.0 111.03 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 12.3 mmtp -119.18 11.24 12.29 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.114 178.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 12.5 mt -116.6 -37.1 3.76 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.005 -0.543 . . . . 10.0 111.113 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 299' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -73.82 -62.86 1.02 Allowed Pre-proline 0 CA--C 1.539 0.529 0 N-CA-C 111.816 0.302 . . . . 10.0 111.816 179.516 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 300' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -65.8 -45.08 6.88 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 121.788 1.659 . . . . 10.0 111.575 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 34.5 mt -68.72 -26.28 65.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.047 179.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -70.22 -46.34 50.72 Favored Glycine 0 N--CA 1.446 -0.662 0 N-CA-C 110.157 -1.177 . . . . 10.0 110.157 178.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -66.57 -35.46 80.26 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 109.811 -0.44 . . . . 10.0 109.811 178.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -60.77 -47.44 86.3 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 108.314 -0.995 . . . . 10.0 108.314 177.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 6.3 tpt -62.45 -38.08 88.39 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 115.394 -0.821 . . . . 10.0 109.864 179.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -64.08 -44.19 93.12 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.99 -0.55 . . . . 10.0 111.539 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -70.94 -36.71 72.72 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.187 0.517 . . . . 10.0 110.216 179.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 19.5 mmt180 -67.03 -31.88 72.71 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 108.999 -0.741 . . . . 10.0 108.999 177.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -68.48 -36.77 79.41 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 108.801 -0.814 . . . . 10.0 108.801 177.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 310' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -57.72 -48.16 80.37 Favored 'General case' 0 C--O 1.222 -0.348 0 N-CA-C 108.704 -0.85 . . . . 10.0 108.704 178.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -69.35 -42.99 74.53 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.783 -0.644 . . . . 10.0 110.257 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -53.1 -52.98 56.87 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.38 179.184 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 74.7 t -73.06 -44.72 56.07 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.151 0 CA-C-N 115.683 -0.69 . . . . 10.0 111.988 -179.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -59.83 -46.46 89.17 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 121.12 -0.232 . . . . 10.0 111.247 -179.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -60.81 -37.3 81.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.098 0.475 . . . . 10.0 110.187 179.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 14.4 mt -69.43 -46.33 67.05 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.667 -0.697 . . . . 10.0 109.447 178.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 37.7 ttm105 -60.37 -40.71 91.8 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.445 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 56.1 m -59.68 -28.37 67.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.888 178.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 33.5 m80 -92.66 -40.28 10.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.507 179.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 95.1 mt -64.02 -31.91 73.27 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.075 -0.511 . . . . 10.0 111.758 -179.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -56.7 -60.26 9.88 Favored Pre-proline 0 CA--C 1.536 0.406 0 CA-C-N 116.669 -0.242 . . . . 10.0 111.415 179.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -67.48 -32.65 31.31 Favored 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 121.513 1.475 . . . . 10.0 110.839 177.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 11.7 m-30 -59.93 -47.76 84.49 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.706 -0.224 . . . . 10.0 111.085 179.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 11.0 p -65.59 -34.45 78.27 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.928 0.394 . . . . 10.0 110.721 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -68.92 -42.61 76.59 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 109.235 -0.654 . . . . 10.0 109.235 178.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -69.53 -28.91 66.42 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.289 -0.634 . . . . 10.0 109.289 178.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 30.4 mt -66.45 -35.85 81.32 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.226 -0.657 . . . . 10.0 109.226 178.095 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -62.82 -37.9 88.58 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 108.752 -0.833 . . . . 10.0 108.752 178.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -67.77 -46.75 71.15 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.627 -0.715 . . . . 10.0 109.312 178.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 46.4 mtt-85 -58.92 -49.6 77.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.317 -0.856 . . . . 10.0 110.281 179.268 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 90.8 mt -62.04 -38.49 88.94 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.646 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -64.05 -50.69 67.41 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.28 -0.418 . . . . 10.0 110.341 179.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -59.71 -40.01 86.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.682 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 52.8 mtt-85 -69.14 -46.14 68.35 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.378 179.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 27.1 mt -63.84 -36.03 82.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.544 -0.298 . . . . 10.0 111.165 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -65.1 -40.72 94.98 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.159 0.504 . . . . 10.0 109.689 178.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -65.54 -45.74 82.26 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 108.795 -0.817 . . . . 10.0 108.795 178.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 97.1 mt -69.42 -10.67 58.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.726 -0.67 . . . . 10.0 111.146 179.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 69.8 tttt -92.27 -53.06 4.39 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -66.5 -53.78 31.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.962 -0.563 . . . . 10.0 109.833 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -67.76 -38.39 83.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.771 -0.649 . . . . 10.0 109.682 178.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -60.75 -43.53 99.03 Favored Glycine 0 C--N 1.332 0.357 0 CA-C-N 115.778 -0.646 . . . . 10.0 112.01 179.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -66.05 -38.4 94.01 Favored Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 111.152 -0.779 . . . . 10.0 111.152 179.224 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -65.36 -40.59 93.75 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.564 -0.532 . . . . 10.0 109.564 178.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 29.2 mtm180 -63.74 -45.49 89.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.648 -0.705 . . . . 10.0 110.336 179.182 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 52.1 mt -60.88 -44.45 97.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.242 -0.436 . . . . 10.0 110.407 179.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.91 -43.4 91.07 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.166 0.508 . . . . 10.0 109.975 178.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -67.15 -46.77 73.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.691 179.094 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -61.02 -39.97 91.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.993 -0.549 . . . . 10.0 111.253 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 10.8 m170 -63.3 -42.14 99.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.973 0.416 . . . . 10.0 109.903 178.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -67.15 -47.56 70.65 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.837 -0.62 . . . . 10.0 110.218 179.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 13.4 mttm -58.79 -47.27 85.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.923 -0.58 . . . . 10.0 109.863 179.173 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.62 -44.2 93.54 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.742 179.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 86.4 m -61.48 -43.83 98.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.068 179.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -64.87 -41.65 95.49 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.22 178.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 36.4 m-70 -63.4 -31.9 73.19 Favored 'General case' 0 CA--C 1.518 -0.255 0 N-CA-C 109.506 -0.553 . . . . 10.0 109.506 178.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 59.0 mt -71.32 -36.32 71.54 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.615 -0.721 . . . . 10.0 110.174 178.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 34.4 m -66.11 -41.12 91.0 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.672 -0.492 . . . . 10.0 109.672 178.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 1.5 m -75.33 -23.09 57.21 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.513 0.673 . . . . 10.0 109.512 178.088 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 50.9 tp -69.33 -28.91 66.66 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 108.421 -0.955 . . . . 10.0 108.421 177.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 20.3 m -64.73 -31.29 72.45 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.573 -0.74 . . . . 10.0 109.239 178.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -67.44 -15.92 63.94 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 115.65 -0.704 . . . . 10.0 109.797 178.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 363' ' ' LYS . . . . . . . . . . . . . 82.7 mttt -101.03 -39.99 7.45 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.502 -0.772 . . . . 10.0 109.209 178.102 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -71.35 -30.38 66.11 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.651 -0.704 . . . . 10.0 112.892 -179.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 71.6 mttt -101.96 -71.75 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.526 0 N-CA-C 112.543 0.571 . . . . 10.0 112.543 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -61.07 -58.34 0.47 Allowed 'Trans proline' 0 C--N 1.356 0.947 0 C-N-CA 122.391 2.06 . . . . 10.0 112.899 -179.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 367' ' ' ALA . . . . . . . . . . . . . . . -57.57 -53.91 52.83 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.551 0.574 . . . . 10.0 112.551 -179.217 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 20.4 mt -58.42 -37.28 75.05 Favored 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 112.217 0.451 . . . . 10.0 112.217 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -68.46 -47.31 67.46 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 109.71 -0.478 . . . . 10.0 109.71 179.226 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -58.1 -39.52 78.81 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 109.534 -0.543 . . . . 10.0 109.534 179.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 73.5 mt -64.5 -45.39 87.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.492 -0.776 . . . . 10.0 110.011 178.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -65.48 -40.74 93.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.874 0.369 . . . . 10.0 110.653 179.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -65.42 -42.47 92.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.005 178.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -68.59 -33.46 76.49 Favored Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.793 -0.639 . . . . 10.0 111.615 179.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 32.3 mt -71.62 -21.83 61.78 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.808 0.299 . . . . 10.0 111.808 179.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 61.7 mt -55.77 -60.8 7.61 Favored Pre-proline 0 CA--C 1.536 0.418 0 N-CA-C 112.291 0.478 . . . . 10.0 112.291 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -65.32 -31.75 52.09 Favored 'Trans proline' 0 C--N 1.356 0.936 0 C-N-CA 121.751 1.634 . . . . 10.0 111.377 179.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 74.7 t -64.08 -53.94 37.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.295 179.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 95.3 mt -59.89 -41.28 91.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.386 -0.37 . . . . 10.0 110.634 179.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 -63.8 -45.48 89.47 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 116.276 -0.42 . . . . 10.0 110.916 179.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 78.7 p -67.35 -34.11 76.62 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-O 121.222 0.534 . . . . 10.0 110.231 178.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -64.81 -34.41 78.29 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.892 -0.594 . . . . 10.0 110.032 179.05 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -62.47 -46.57 87.9 Favored 'General case' 0 C--O 1.225 -0.185 0 N-CA-C 109.117 -0.697 . . . . 10.0 109.117 178.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 24.4 t -61.66 -42.38 94.0 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 CA-C-N 115.624 -0.716 . . . . 10.0 109.391 179.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 15.3 m -64.2 -47.31 80.22 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.743 -0.662 . . . . 10.0 110.573 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -62.99 -47.06 84.77 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.115 179.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 46.6 mt -58.62 -52.46 65.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.043 -0.526 . . . . 10.0 111.732 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 11.2 p -61.3 -38.03 85.37 Favored 'General case' 0 C--N 1.33 -0.269 0 O-C-N 123.202 0.314 . . . . 10.0 110.951 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -66.34 -41.23 89.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.013 0.435 . . . . 10.0 110.661 179.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 77.3 mt -62.83 -41.88 99.51 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.954 -0.566 . . . . 10.0 109.869 179.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -63.33 -33.76 76.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.589 -0.732 . . . . 10.0 110.717 179.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -64.03 -37.82 88.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.011 0.434 . . . . 10.0 110.381 179.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -69.13 -43.15 74.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.862 -0.608 . . . . 10.0 109.897 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.44 -13.71 61.92 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.993 0.425 . . . . 10.0 110.484 179.354 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 8.7 ttmt -88.67 -54.01 4.36 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 112.683 0.623 . . . . 10.0 112.683 -179.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 2.7 mptt -97.22 -19.27 18.71 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 113.932 1.086 . . . . 10.0 113.932 -177.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 38.4 mt -105.44 26.29 9.65 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.094 0.473 . . . . 10.0 111.403 -179.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 41.0 t30 . . . . . 0 C--N 1.325 -0.497 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.15 -179.86 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--O 1.231 0.106 0 CA-C-O 121.097 0.475 . . . . 10.0 110.77 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -90.9 21.85 3.94 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.874 -179.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 28.6 mt -64.9 -51.5 61.61 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.598 -0.728 . . . . 10.0 110.975 -179.191 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 69.9 mt -62.26 -34.98 77.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.75 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -64.16 -46.29 84.71 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.856 -0.611 . . . . 10.0 110.489 179.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 13.2 t30 -70.45 -32.22 69.71 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.187 179.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 1.1 m95 -58.67 -37.36 75.84 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.868 -0.606 . . . . 10.0 110.43 179.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -65.02 -41.26 95.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.906 -0.588 . . . . 10.0 109.78 178.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.44 -34.49 76.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.414 0.626 . . . . 10.0 109.642 178.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 66.5 t -73.27 -35.7 47.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.697 -0.683 . . . . 10.0 109.307 178.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 32.8 m -68.31 -42.14 79.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.689 -0.687 . . . . 10.0 110.227 179.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 17.8 m -60.31 -44.87 95.04 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 116.444 -0.344 . . . . 10.0 110.492 179.285 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.18 -38.88 89.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 10.0 110.732 179.752 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -64.88 -41.97 95.2 Favored 'General case' 0 CA--C 1.52 -0.174 0 N-CA-C 109.891 -0.411 . . . . 10.0 109.891 178.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 19.7 m -62.65 -41.72 99.2 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.838 -0.619 . . . . 10.0 109.657 178.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 50.6 mmtt -66.17 -30.22 70.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.15 178.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 65.8 mt -67.91 -39.24 83.61 Favored 'General case' 0 CA--C 1.519 -0.245 0 N-CA-C 109.216 -0.661 . . . . 10.0 109.216 178.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 65.5 mtt180 -66.27 -36.05 81.98 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.408 -0.589 . . . . 10.0 109.408 178.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -67.23 -21.96 65.72 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.647 178.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -90.53 -55.55 3.54 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.046 -0.724 . . . . 10.0 109.046 178.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 78.6 mt -48.57 -45.22 37.53 Favored 'General case' 0 C--O 1.228 -0.073 0 CA-C-N 115.433 -0.803 . . . . 10.0 112.585 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -53.03 -76.93 0.16 Allowed Glycine 0 C--N 1.333 0.396 0 C-N-CA 121.307 -0.473 . . . . 10.0 112.903 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -55.97 -38.2 95.01 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.838 2.359 . . . . 10.0 112.515 179.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 16.4 t -60.33 -47.26 93.08 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.252 0 N-CA-C 111.715 0.265 . . . . 10.0 111.715 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 24.8 p -67.04 -30.49 70.58 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 120.819 -0.352 . . . . 10.0 110.483 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -63.41 -50.1 71.15 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.115 -0.493 . . . . 10.0 109.714 179.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -76.22 -28.51 57.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 10.0 110.904 179.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -64.44 -39.09 93.17 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 109.3 -0.629 . . . . 10.0 109.3 178.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 5.0 m95 -66.91 -36.77 83.01 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 109.516 -0.549 . . . . 10.0 109.516 178.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -67.99 -30.89 70.26 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 108.867 -0.79 . . . . 10.0 108.867 178.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.53 -41.62 65.66 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.584 -0.895 . . . . 10.0 108.584 177.256 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 92.8 mt -60.62 -40.09 90.6 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.538 -0.755 . . . . 10.0 109.7 178.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -62.23 -31.85 72.44 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.279 0.561 . . . . 10.0 110.151 178.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 53.6 mttp -71.94 -43.24 65.56 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.643 -0.873 . . . . 10.0 108.643 178.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -65.42 -45.79 82.52 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.289 -0.869 . . . . 10.0 111.454 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 5.1 p -60.78 -50.16 74.56 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-O 120.619 0.247 . . . . 10.0 110.556 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -63.84 -46.3 85.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.642 179.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -58.78 -47.99 87.5 Favored Glycine 0 N--CA 1.452 -0.266 0 N-CA-C 111.235 -0.746 . . . . 10.0 111.235 179.126 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 61.4 mt -64.17 -32.74 74.43 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 110.051 -0.351 . . . . 10.0 110.051 178.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 63.4 mtt180 -64.78 -33.83 76.91 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-N 116.537 -0.302 . . . . 10.0 110.626 178.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -67.03 -44.06 81.19 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.728 -0.842 . . . . 10.0 108.728 178.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -68.43 -41.3 80.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.605 -0.725 . . . . 10.0 110.031 179.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 88.4 mmm -67.61 -40.52 84.7 Favored 'General case' 0 C--O 1.225 -0.204 0 N-CA-C 113.095 0.776 . . . . 10.0 113.095 -179.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 2.5 p -60.51 -52.44 65.17 Favored 'General case' 0 CA--C 1.518 -0.271 0 C-N-CA 120.901 -0.32 . . . . 10.0 110.166 179.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -61.57 -36.76 81.54 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.523 -0.547 . . . . 10.0 109.523 179.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -66.13 -58.73 4.79 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.802 -0.635 . . . . 10.0 111.835 -179.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 92.0 mt -63.23 -46.0 88.99 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.804 0.668 . . . . 10.0 112.804 -178.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -61.74 -48.22 81.66 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.85 0.357 . . . . 10.0 110.953 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 447' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -73.42 -22.89 60.11 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.43 -0.35 . . . . 10.0 110.695 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -64.56 -33.72 64.9 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.141 0 CA-C-N 116.46 -0.336 . . . . 10.0 110.714 179.711 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -64.37 -39.1 93.21 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.256 -1.016 . . . . 10.0 108.256 178.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -83.08 8.19 13.65 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.406 -0.815 . . . . 10.0 110.458 179.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 31.1 mmtm -114.27 -54.31 2.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.042 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 61.3 t -63.56 -38.69 82.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.914 -0.585 . . . . 10.0 111.69 -179.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -59.5 -60.5 10.39 Favored Pre-proline 0 C--N 1.329 -0.302 0 N-CA-C 112.306 0.484 . . . . 10.0 112.306 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -64.39 -32.54 60.46 Favored 'Trans proline' 0 C--N 1.357 1.0 0 C-N-CA 121.72 1.613 . . . . 10.0 111.774 178.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -63.0 -50.19 71.73 Favored 'General case' 0 C--N 1.333 -0.132 0 N-CA-C 109.802 -0.444 . . . . 10.0 109.802 179.191 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 24.8 mt -70.39 -27.97 64.72 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.763 179.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -66.26 -53.26 38.97 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.992 0.425 . . . . 10.0 109.998 178.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 458' ' ' ASP . . . . . 0.48 ' CG ' ' HZ2' ' D' ' 462' ' ' LYS . 22.5 t70 -66.91 -35.75 80.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.877 -0.601 . . . . 10.0 109.578 178.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -66.79 -37.54 84.77 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 116.08 -0.509 . . . . 10.0 109.656 178.354 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -63.37 -42.99 98.88 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.847 -0.797 . . . . 10.0 108.847 178.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -62.41 -38.17 88.65 Favored 'General case' 0 CA--C 1.52 -0.201 0 N-CA-C 109.169 -0.678 . . . . 10.0 109.169 178.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 462' ' ' LYS . . . . . 0.48 ' HZ2' ' CG ' ' D' ' 458' ' ' ASP . 0.2 OUTLIER -67.08 -41.4 86.41 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.489 -0.778 . . . . 10.0 109.632 178.628 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 32.0 m0 -65.31 -37.71 87.96 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.331 -0.618 . . . . 10.0 109.331 178.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -64.11 -47.61 79.34 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 108.599 -0.889 . . . . 10.0 108.599 178.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 465' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -55.39 -49.26 72.81 Favored 'General case' 0 C--O 1.224 -0.245 0 N-CA-C 109.615 -0.513 . . . . 10.0 109.615 178.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -60.44 -50.32 74.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.462 -0.79 . . . . 10.0 111.07 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 42.9 ttm -60.45 -50.02 75.25 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.88 0.371 . . . . 10.0 111.3 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -63.86 -35.08 79.45 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.178 -0.465 . . . . 10.0 110.597 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 469' ' ' LEU . . . . . . . . . . . . . 16.5 mt -67.73 -36.63 80.94 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 109.711 -0.478 . . . . 10.0 109.711 178.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -66.21 -24.66 66.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.954 0.407 . . . . 10.0 110.47 179.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -82.09 -8.53 59.66 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.049 0.452 . . . . 10.0 110.077 178.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -114.98 -2.41 12.84 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.604 -0.726 . . . . 10.0 109.423 178.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 473' ' ' LYS . . . . . . . . . . . . . 19.4 mttt -126.04 -64.65 1.03 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.703 -0.68 . . . . 10.0 110.781 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 82.1 t -62.48 -39.21 83.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.515 -0.312 . . . . 10.0 110.979 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -56.45 -60.68 8.43 Favored Pre-proline 0 CA--C 1.536 0.434 0 CA-C-N 116.705 -0.225 . . . . 10.0 111.183 178.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -63.4 -34.6 65.47 Favored 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 121.432 1.421 . . . . 10.0 110.855 178.131 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 16.6 mt -64.1 -33.77 76.51 Favored 'General case' 0 C--O 1.223 -0.317 0 C-N-CA 121.054 -0.258 . . . . 10.0 110.808 179.186 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 60.2 mtt-85 -66.1 -34.74 78.75 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.046 -0.724 . . . . 10.0 109.046 178.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -73.0 -41.72 63.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.524 -0.762 . . . . 10.0 109.027 178.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.82 -42.43 94.99 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.053 -0.521 . . . . 10.0 109.763 178.592 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 23.8 mt -65.72 -41.85 91.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.828 -0.624 . . . . 10.0 109.564 178.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -63.8 -44.89 91.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.374 -0.375 . . . . 10.0 110.018 179.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -63.11 -42.51 99.58 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.5 -0.556 . . . . 10.0 109.5 179.293 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -65.37 -42.59 95.93 Favored Glycine 0 N--CA 1.449 -0.493 0 N-CA-C 110.843 -0.903 . . . . 10.0 110.843 178.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -64.0 -37.85 88.92 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 109.934 -0.395 . . . . 10.0 109.934 178.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 89.2 mtt180 -60.95 -48.29 82.49 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 109.539 -0.541 . . . . 10.0 109.539 178.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -64.21 -42.75 96.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.624 179.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 69.8 tttt -65.22 -37.05 86.07 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.975 -0.38 . . . . 10.0 109.975 179.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 18.6 mt -65.85 -40.33 91.6 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.137 -0.69 . . . . 10.0 109.137 178.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -64.11 -41.67 97.16 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.252 -1.018 . . . . 10.0 108.252 178.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -60.35 -46.76 88.78 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.879 -0.785 . . . . 10.0 108.879 177.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 93.8 mt -64.42 -40.32 95.55 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-N 115.661 -0.699 . . . . 10.0 111.046 179.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -62.09 -36.39 81.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.382 0.61 . . . . 10.0 110.567 179.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -87.96 11.24 16.38 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.955 -0.566 . . . . 10.0 111.012 179.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 495' ' ' LYS . . . . . . . . . . . . . 53.7 mttp -124.11 -55.91 1.66 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.231 -0.441 . . . . 10.0 110.465 179.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 80.9 mt -62.87 -19.54 64.25 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.489 0.552 . . . . 10.0 112.489 -179.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 497' ' ' SER . . . . . . . . . . . . . 3.4 m -85.97 -65.55 0.2 Allowed Pre-proline 0 C--N 1.324 -0.531 0 C-N-CA 120.789 -0.364 . . . . 10.0 111.303 178.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 498' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -63.67 -48.35 5.74 Favored 'Trans proline' 0 C--N 1.356 0.974 0 C-N-CA 121.606 1.537 . . . . 10.0 111.952 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 499' ' ' LEU . . . . . . . . . . . . . 77.0 mt -73.32 -32.3 64.5 Favored 'General case' 0 CA--C 1.522 -0.107 0 CA-C-O 120.772 0.32 . . . . 10.0 110.19 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -65.62 -49.53 59.48 Favored Glycine 0 N--CA 1.449 -0.486 0 N-CA-C 110.634 -0.986 . . . . 10.0 110.634 179.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -63.86 -34.61 78.33 Favored 'General case' 0 CA--C 1.519 -0.235 0 N-CA-C 109.2 -0.667 . . . . 10.0 109.2 178.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 502' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -64.2 -43.19 95.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.521 -0.763 . . . . 10.0 109.163 178.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 86.0 mmm -61.93 -42.07 98.68 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 109.633 -0.506 . . . . 10.0 109.633 179.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 87.3 mtt180 -64.23 -38.77 92.24 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.514 -0.767 . . . . 10.0 109.382 178.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -68.05 -36.25 79.57 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.016 0.436 . . . . 10.0 110.378 179.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 506' ' ' ARG . . . . . . . . . . . . . 37.9 mtt180 -63.55 -43.82 95.97 Favored 'General case' 0 CA--C 1.52 -0.203 0 N-CA-C 107.477 -1.305 . . . . 10.0 107.477 177.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -63.06 -35.24 79.6 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 114.933 -1.03 . . . . 10.0 110.003 178.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 508' ' ' ARG . . . . . . . . . . . . . 72.8 mtt180 -61.8 -33.56 74.34 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.828 -0.434 . . . . 10.0 109.828 178.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -79.73 -35.38 38.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.436 179.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 52.0 m-70 -73.25 -49.41 27.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.223 -0.444 . . . . 10.0 111.263 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 96.2 t -63.1 -40.45 89.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.413 -0.358 . . . . 10.0 110.036 179.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -65.1 -34.09 77.57 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 121.037 0.446 . . . . 10.0 109.845 178.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -65.87 -42.58 90.17 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 108.669 -0.863 . . . . 10.0 108.669 178.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 514' ' ' LEU . . . . . . . . . . . . . 89.3 mt -57.83 -32.76 67.92 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.077 -0.511 . . . . 10.0 110.476 179.095 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 515' ' ' ARG . . . . . . . . . . . . . 68.0 mtt180 -67.66 -20.62 65.33 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.22 179.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -112.1 -1.7 15.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.362 0.601 . . . . 10.0 110.078 179.429 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 25.5 m170 -110.81 -72.27 0.73 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.037 -0.529 . . . . 10.0 111.491 -179.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 61.4 mt -70.95 -42.32 69.96 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.969 0.729 . . . . 10.0 112.969 -178.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 519' ' ' ALA . . . . . . . . . . . . . . . -56.66 -57.1 25.88 Favored Pre-proline 0 C--O 1.238 0.462 0 N-CA-C 112.449 0.537 . . . . 10.0 112.449 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 520' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -65.8 -31.09 49.05 Favored 'Trans proline' 0 C--N 1.355 0.871 0 C-N-CA 121.953 1.769 . . . . 10.0 111.418 179.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -68.48 -35.46 77.57 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 116.227 -0.442 . . . . 10.0 109.94 179.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 71.0 m -63.89 -34.12 77.23 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 109.722 -0.473 . . . . 10.0 109.722 178.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -68.48 -38.74 81.29 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 115.954 -0.566 . . . . 10.0 109.582 178.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -68.54 -34.28 75.58 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.833 -0.803 . . . . 10.0 108.833 178.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 25.3 mt -69.0 -34.01 74.58 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 115.442 -0.799 . . . . 10.0 109.837 177.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 526' ' ' ARG . . . . . . . . . . . . . 85.0 mtt180 -59.94 -38.01 81.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.081 0.467 . . . . 10.0 109.843 178.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -69.77 -37.74 76.49 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.257 -0.646 . . . . 10.0 109.257 178.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 528' ' ' ARG . . . . . . . . . . . . . 74.5 mtt180 -68.65 -42.04 78.5 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.616 -0.72 . . . . 10.0 109.465 178.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 81.6 mt -66.62 -32.61 74.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.89 -0.596 . . . . 10.0 109.975 178.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -64.11 -43.7 94.5 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.536 -0.542 . . . . 10.0 109.536 178.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -69.57 -38.07 77.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.501 -0.772 . . . . 10.0 109.168 178.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 -61.45 -52.7 63.47 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.057 -0.974 . . . . 10.0 109.828 178.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 97.4 mt -64.06 -32.13 73.58 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 115.793 -0.639 . . . . 10.0 110.283 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -62.03 -47.69 83.63 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 108.981 -0.748 . . . . 10.0 108.981 178.277 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -63.98 -43.31 96.13 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.469 -0.787 . . . . 10.0 109.324 178.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 89.7 mt -63.15 -28.13 69.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.853 179.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -79.87 -46.5 16.71 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 110.252 -0.277 . . . . 10.0 110.252 178.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.36 -50.99 67.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.051 179.357 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -70.36 -32.48 70.19 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 109.198 -0.668 . . . . 10.0 109.198 178.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -64.7 -44.73 94.48 Favored Glycine 0 CA--C 1.51 -0.275 0 N-CA-C 110.85 -0.9 . . . . 10.0 110.85 179.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -62.53 -37.06 94.08 Favored Glycine 0 N--CA 1.448 -0.557 0 N-CA-C 110.608 -0.997 . . . . 10.0 110.608 178.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -67.13 -48.36 68.33 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 108.555 -0.906 . . . . 10.0 108.555 178.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 30.5 mtt180 -56.4 -45.97 80.36 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.704 -0.68 . . . . 10.0 110.512 179.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 48.2 mt -58.56 -40.99 84.64 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.592 0.234 . . . . 10.0 110.846 179.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -68.49 -44.92 73.69 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.057 -0.519 . . . . 10.0 110.369 179.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -64.25 -52.65 57.68 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.859 179.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -59.34 -35.87 74.65 Favored 'General case' 0 C--O 1.225 -0.208 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.9 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 9.7 t-160 -66.77 -45.71 77.6 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.768 -0.456 . . . . 10.0 109.768 178.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -64.02 -45.91 86.82 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 109.581 -0.526 . . . . 10.0 109.581 178.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.93 -36.95 85.12 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-N 115.533 -0.758 . . . . 10.0 110.542 179.387 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -66.29 -38.17 87.12 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 110.082 -0.34 . . . . 10.0 110.082 179.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 6.2 m -70.63 -43.2 69.73 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.124 -0.695 . . . . 10.0 109.124 178.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -62.37 -45.82 91.42 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 109.463 -0.569 . . . . 10.0 109.463 178.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -62.01 -41.39 98.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.513 -0.767 . . . . 10.0 110.246 179.268 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 20.9 tp -63.91 -33.49 75.83 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 109.611 -0.514 . . . . 10.0 109.611 178.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 24.3 m -69.69 -42.75 73.68 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.74 -0.664 . . . . 10.0 110.294 179.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.1 -34.44 71.12 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.03 0.443 . . . . 10.0 109.845 178.627 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 32.4 mt -63.14 -46.12 88.71 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.029 178.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 2.8 p -71.54 -30.66 66.15 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.091 0.472 . . . . 10.0 110.283 178.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 560' ' ' GLU . . . . . 0.422 ' CD ' ' HZ3' ' A' ' 216' ' ' LYS . 19.8 tt0 -64.26 -31.95 73.35 Favored 'General case' 0 C--O 1.224 -0.242 0 N-CA-C 109.127 -0.694 . . . . 10.0 109.127 178.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -103.5 4.36 35.85 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.59 -0.732 . . . . 10.0 110.354 179.15 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -90.21 -55.11 3.73 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.476 -0.329 . . . . 10.0 110.587 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -52.46 -55.29 33.46 Favored Pre-proline 0 CA--C 1.532 0.272 0 CA-C-N 116.247 -0.433 . . . . 10.0 112.112 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -62.73 -40.94 33.55 Favored 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 121.835 1.69 . . . . 10.0 112.22 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -66.44 -48.2 70.75 Favored 'General case' 0 C--O 1.224 -0.245 0 N-CA-C 112.055 0.391 . . . . 10.0 112.055 -179.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 91.3 mt -60.08 -46.27 90.12 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 120.621 0.248 . . . . 10.0 110.844 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -67.66 -41.15 84.23 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.424 -0.353 . . . . 10.0 110.855 179.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -63.62 -44.55 93.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.442 -0.345 . . . . 10.0 110.216 179.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 40.1 mt -62.84 -40.67 98.15 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-N 116.136 -0.483 . . . . 10.0 110.196 178.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 66.3 mtt180 -65.68 -47.85 74.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.91 0.386 . . . . 10.0 110.456 179.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -71.46 -12.29 61.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.033 -0.53 . . . . 10.0 111.38 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -100.14 -31.75 5.81 Favored Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 111.317 -0.713 . . . . 10.0 111.317 179.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 20.2 mt -74.5 -36.79 63.25 Favored 'General case' 0 C--O 1.22 -0.468 0 N-CA-C 111.38 0.141 . . . . 10.0 111.38 179.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 34.6 mt -55.54 -60.5 8.3 Favored Pre-proline 0 CA--C 1.536 0.419 0 N-CA-C 112.302 0.482 . . . . 10.0 112.302 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -63.4 -37.27 50.35 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 122.001 1.8 . . . . 10.0 112.081 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -69.53 -34.32 61.22 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 C-N-CA 120.812 -0.355 . . . . 10.0 111.121 -179.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 11.4 mt -64.55 -44.29 91.26 Favored 'General case' 0 CA--C 1.511 -0.539 0 N-CA-C 109.365 -0.606 . . . . 10.0 109.365 178.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -60.64 -40.26 91.32 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.829 -0.623 . . . . 10.0 109.459 178.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 13.6 m -62.81 -44.55 95.85 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 109.16 -0.682 . . . . 10.0 109.16 178.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -64.67 -36.96 85.96 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.758 -0.655 . . . . 10.0 110.739 179.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -62.09 -50.48 71.78 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 116.448 -0.342 . . . . 10.0 110.122 179.205 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 81.4 t -57.73 -49.77 79.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.706 179.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 20.2 m -61.62 -37.74 85.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.278 -0.419 . . . . 10.0 111.073 179.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.34 -48.6 64.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.436 -0.347 . . . . 10.0 111.211 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 84.6 mt -59.85 -47.93 83.73 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.333 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 10.0 p -65.52 -35.25 80.32 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.934 0.397 . . . . 10.0 110.571 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -67.58 -55.4 13.55 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.207 178.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 93.8 mt -56.74 -43.77 81.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.906 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -56.02 -50.32 71.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.855 179.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -71.1 -37.28 72.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.325 -0.398 . . . . 10.0 111.602 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -60.85 -41.14 95.27 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.878 0.371 . . . . 10.0 110.102 179.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 16.7 m -64.08 -38.8 92.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.538 179.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -71.45 -39.18 71.17 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.919 0.39 . . . . 10.0 110.625 179.217 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 7.7 mptt -70.39 -29.78 66.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 10.0 112.291 -179.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 71.5 mt -102.39 11.39 38.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.007 0.432 . . . . 10.0 111.965 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 . . . . . 0 C--N 1.323 -0.576 0 CA-C-N 116.33 -0.395 . . . . 10.0 111.703 -179.704 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 N--CA 1.456 -0.166 0 CA-C-O 120.897 0.379 . . . . 10.0 110.646 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 22.0 m -143.63 136.6 27.59 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.321 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -91.2 140.26 29.97 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.924 -0.399 . . . . 10.0 109.924 179.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -127.51 114.19 17.13 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 120.807 0.337 . . . . 10.0 110.433 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 47.4 mttm -83.23 107.74 15.98 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.551 -179.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -111.87 138.51 48.39 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.744 -0.662 . . . . 10.0 111.437 -178.054 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 45.4 t -124.64 123.1 65.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.018 179.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 67.7 t -95.11 111.11 25.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.411 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 15.8 m -107.69 164.36 5.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.32 -0.4 . . . . 10.0 111.155 -179.224 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 152.76 -175.41 31.33 Favored Glycine 0 N--CA 1.443 -0.894 0 N-CA-C 111.35 -0.7 . . . . 10.0 111.35 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -84.12 -168.07 2.01 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.788 0.327 . . . . 10.0 111.342 -179.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -94.28 136.43 34.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.197 0.523 . . . . 10.0 111.374 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.34 14.88 81.72 Favored Glycine 0 N--CA 1.451 -0.319 0 CA-C-N 115.581 -0.736 . . . . 10.0 113.163 179.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 27.6 m -81.89 -23.5 9.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.086 0.47 . . . . 10.0 111.222 -179.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.51 18.86 10.4 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.583 -0.818 . . . . 10.0 112.289 179.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 9.9 ptmm? -63.42 -22.65 67.01 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 121.391 0.615 . . . . 10.0 110.927 179.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' SER . . . . . 0.44 ' N ' ' O2B' ' B' ' 201' ' ' GSP . 0.5 OUTLIER -89.22 -46.46 8.77 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 109.295 -0.631 . . . . 10.0 109.295 178.473 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.82 -49.52 73.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.617 -0.719 . . . . 10.0 111.805 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 68.7 mt -58.72 -48.34 81.49 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.384 -0.371 . . . . 10.0 111.456 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 13.3 m -62.97 -44.66 95.43 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 116.067 -0.515 . . . . 10.0 111.166 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 93.6 mt -63.73 -33.61 62.83 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 CA-C-N 116.43 -0.35 . . . . 10.0 111.75 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -66.35 -23.35 66.33 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.849 0.356 . . . . 10.0 111.686 179.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 6.2 tp -92.78 -34.52 13.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.144 0.497 . . . . 10.0 110.784 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 47.6 mm -78.79 -60.79 2.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 112.519 0.563 . . . . 10.0 112.519 -178.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -101.31 -0.42 35.66 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.782 0.66 . . . . 10.0 112.782 -177.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 58.28 36.8 25.9 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 113.597 0.962 . . . . 10.0 113.597 178.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -139.31 155.1 47.95 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.745 0.307 . . . . 10.0 111.075 179.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -97.46 142.76 28.92 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.771 -179.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 3.9 m -104.11 113.66 41.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.141 -0.481 . . . . 10.0 111.284 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -90.38 -6.64 54.76 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.437 0.637 . . . . 10.0 109.586 179.361 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -106.7 121.5 44.48 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.449 -0.796 . . . . 10.0 110.51 179.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -71.92 127.96 34.22 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.898 -179.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . 0.52 ' O ' ' S1G' ' B' ' 201' ' ' GSP . 21.3 t70 -135.3 109.21 10.42 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.68 -0.236 . . . . 10.0 110.803 179.433 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -56.21 115.17 2.28 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 123.082 2.522 . . . . 10.0 112.047 -179.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' THR . . . . . 0.411 ' OG1' ' O3G' ' B' ' 201' ' ' GSP . 1.3 m -91.71 118.75 30.94 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.673 -179.552 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 40.7 mm -81.8 -45.41 20.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 109.016 -0.735 . . . . 10.0 109.016 178.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -178.76 95.26 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.223 -0.899 . . . . 10.0 109.706 178.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -118.0 127.21 53.6 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 121.0 -0.28 . . . . 10.0 110.425 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.6 p -104.8 130.39 52.91 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.933 0.397 . . . . 10.0 111.043 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -119.56 137.22 53.97 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.255 -0.43 . . . . 10.0 110.886 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? -108.71 128.51 54.93 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.466 -0.334 . . . . 10.0 110.77 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 41.0 tptt -131.16 145.51 51.99 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.146 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -128.88 111.2 12.81 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 110.212 -0.292 . . . . 10.0 110.212 179.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 2.0 m -135.91 158.85 39.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.415 -0.357 . . . . 10.0 111.348 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 13.5 t -94.43 96.82 6.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.322 -0.399 . . . . 10.0 109.946 179.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 73.3 mt -103.71 120.73 54.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.275 -0.421 . . . . 10.0 110.554 -179.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 68.6 25.65 6.54 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.505 -0.771 . . . . 10.0 111.764 179.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.42 5.27 85.15 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.756 -0.735 . . . . 10.0 112.814 179.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -125.57 135.89 52.71 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.856 0.328 . . . . 10.0 110.492 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 1.7 m -68.31 128.75 37.7 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.804 -0.443 . . . . 10.0 109.804 179.328 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 2.1 m -123.56 126.4 46.6 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.834 0.35 . . . . 10.0 111.3 -179.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 47.2 tp -90.94 102.03 14.8 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.451 -0.944 . . . . 10.0 108.451 178.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 34.1 mt -82.7 113.7 20.55 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 116.02 -0.536 . . . . 10.0 111.78 -178.088 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -103.95 89.29 3.25 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 107.849 -1.167 . . . . 10.0 107.849 178.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 1.4 mt -94.56 148.74 4.76 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 115.953 -0.567 . . . . 10.0 111.984 -177.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 20.6 tp -140.09 121.15 14.68 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.259 -0.428 . . . . 10.0 110.459 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -89.99 105.94 18.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.783 0.325 . . . . 10.0 110.318 179.082 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 22.9 p -77.9 162.47 26.8 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.839 -0.619 . . . . 10.0 111.58 -179.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -83.66 113.4 20.83 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 116.137 -0.483 . . . . 10.0 109.872 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -91.35 35.75 3.84 Favored Glycine 0 N--CA 1.452 -0.266 0 CA-C-N 116.133 -0.485 . . . . 10.0 112.473 -179.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -93.49 1.34 56.82 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.96 0.41 . . . . 10.0 110.701 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 61.73 -166.59 0.21 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.48 -0.782 . . . . 10.0 112.846 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 78.01 -41.78 0.34 Allowed 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.268 0.627 . . . . 10.0 111.355 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -58.71 96.51 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 121.086 0.469 . . . . 10.0 110.781 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.33 -40.57 12.69 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.753 -179.408 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -82.93 -32.8 27.02 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.683 -0.488 . . . . 10.0 109.683 179.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 17.6 tpp -78.14 67.8 4.04 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.249 -0.649 . . . . 10.0 109.249 179.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.11 -60.13 0.32 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.188 -179.151 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -48.14 -50.77 27.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.27 -0.877 . . . . 10.0 112.697 -179.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -40.13 -61.9 0.81 Allowed 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 114.272 1.212 . . . . 10.0 114.272 -178.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -78.24 -21.51 49.83 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 113.417 0.895 . . . . 10.0 113.417 -178.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 59.1 mtt -74.51 -40.3 61.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.908 0.385 . . . . 10.0 111.353 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 87.5 mtt180 -72.4 -28.41 62.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.913 0.387 . . . . 10.0 110.803 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 9.1 m -86.04 -42.88 13.58 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.046 -0.525 . . . . 10.0 112.007 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -66.68 143.2 43.42 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 121.256 -0.497 . . . . 10.0 112.846 -179.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -104.26 -38.99 6.66 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.233 0.539 . . . . 10.0 110.35 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -116.48 131.55 9.61 Favored Glycine 0 N--CA 1.447 -0.604 0 N-CA-C 111.21 -0.756 . . . . 10.0 111.21 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -113.72 125.78 54.5 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.115 0.483 . . . . 10.0 111.562 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 14.7 tp -104.39 115.11 29.8 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.683 -0.689 . . . . 10.0 109.347 179.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 14.5 m -92.78 97.6 10.87 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.803 0.335 . . . . 10.0 110.264 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 99.0 t -99.53 121.82 50.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.809 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 36.6 p90 -131.1 161.02 33.02 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.701 -0.681 . . . . 10.0 109.879 179.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -97.02 128.26 43.81 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.208 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 18.9 pt -67.05 -12.76 15.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.053 0.454 . . . . 10.0 111.693 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 32.7 p-10 -105.6 13.79 29.41 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.971 -0.558 . . . . 10.0 110.894 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -140.98 101.94 4.15 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 115.497 -0.774 . . . . 10.0 109.897 179.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.75 -18.85 65.02 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.523 0.564 . . . . 10.0 112.523 -179.035 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -61.18 -49.31 77.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.61 0.243 . . . . 10.0 111.2 -179.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 2.5 p -63.53 -39.03 93.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.397 -0.365 . . . . 10.0 111.108 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -62.31 -36.06 80.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.364 -0.38 . . . . 10.0 111.279 179.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -73.86 -38.83 64.35 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.715 179.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.05 -21.28 64.1 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.018 -0.537 . . . . 10.0 112.309 -179.461 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 23.5 mm -55.23 -40.51 56.39 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 CA-C-N 116.165 -0.471 . . . . 10.0 110.684 179.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -66.49 -41.04 89.53 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.925 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -64.73 -44.81 88.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.011 -0.541 . . . . 10.0 110.99 -179.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -59.88 -44.6 94.09 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.154 -0.476 . . . . 10.0 111.263 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -60.32 -49.09 78.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.044 -0.525 . . . . 10.0 111.813 -179.276 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -66.24 -27.46 67.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.796 0.331 . . . . 10.0 111.567 -179.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -75.56 -47.31 27.33 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.522 -0.308 . . . . 10.0 110.463 179.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 93.9 mt -58.22 -41.4 80.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-N 116.066 -0.515 . . . . 10.0 111.31 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 32.0 mtmt -60.69 -26.32 67.03 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.563 0.579 . . . . 10.0 112.563 -179.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 8.5 ttm180 -83.97 -36.75 23.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.151 0.5 . . . . 10.0 110.201 179.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 91.1 t -71.68 -46.71 60.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.406 -0.815 . . . . 10.0 111.547 -179.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 30.7 mtpp -86.81 -8.68 57.11 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.923 0.342 . . . . 10.0 111.923 -179.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 31.3 t0 54.34 71.16 0.54 Allowed 'General case' 0 N--CA 1.468 0.449 0 O-C-N 123.736 0.647 . . . . 10.0 112.083 -179.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 28.8 t -175.29 132.82 0.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.669 -0.696 . . . . 10.0 109.737 179.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 38.7 tp10 -80.1 -19.41 47.47 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.336 -0.616 . . . . 10.0 109.336 179.048 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -114.88 120.7 40.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.949 -0.569 . . . . 10.0 111.196 -179.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -149.27 149.15 28.62 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 115.938 -0.573 . . . . 10.0 110.892 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -66.65 115.17 3.41 Favored 'Trans proline' 0 C--O 1.236 0.388 0 C-N-CA 122.518 2.145 . . . . 10.0 110.989 178.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 11.1 ttm -145.61 144.71 30.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.743 -0.208 . . . . 10.0 110.552 -179.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 82.3 t -127.97 128.32 68.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.79 -0.448 . . . . 10.0 109.79 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 18.6 tp -92.59 123.79 36.14 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.068 -0.716 . . . . 10.0 109.068 179.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 71.7 t -127.01 125.19 66.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.029 0.442 . . . . 10.0 112.114 -178.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -99.25 118.37 6.16 Favored Glycine 0 N--CA 1.445 -0.719 0 N-CA-C 109.242 -1.543 . . . . 10.0 109.242 178.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 116' ' ' ASN . . . . . 0.492 ' ND2' ' N7 ' ' B' ' 201' ' ' GSP . 65.5 t30 -99.23 167.95 10.35 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.905 0.352 . . . . 10.0 111.813 -178.475 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 94.5 mttt 66.09 32.01 8.5 Favored 'General case' 0 C--O 1.235 0.3 0 O-C-N 123.725 0.64 . . . . 10.0 111.399 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 78.0 m -72.69 5.07 3.37 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 113.825 1.046 . . . . 10.0 113.825 -178.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -112.08 7.24 19.63 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.227 0.537 . . . . 10.0 110.481 178.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 51.0 mt -95.35 139.0 21.81 Favored Pre-proline 0 C--O 1.236 0.394 0 CA-C-N 115.846 -0.616 . . . . 10.0 110.019 179.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo -72.27 156.08 55.41 Favored 'Trans proline' 0 C--O 1.237 0.449 0 C-N-CA 123.06 2.507 . . . . 10.0 112.88 -178.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 4.3 m 54.7 77.21 0.21 Allowed 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.209 -0.905 . . . . 10.0 112.66 179.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 2.7 ptp180 -90.2 165.16 14.1 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.124 -0.489 . . . . 10.0 109.966 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -105.33 -45.94 4.35 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.882 0.373 . . . . 10.0 111.095 178.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 63.6 t -92.97 107.89 19.68 Favored 'Isoleucine or valine' 0 C--O 1.238 0.473 0 CA-C-O 120.963 0.411 . . . . 10.0 110.57 179.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -71.32 148.29 47.23 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.777 -0.647 . . . . 10.0 109.515 179.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 2.0 m -53.64 -40.2 65.64 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.125 0.417 . . . . 10.0 112.125 -179.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 36.9 mtmm -57.92 -50.21 74.13 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.467 0.543 . . . . 10.0 112.467 -178.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -70.33 -23.27 62.8 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.93 0.395 . . . . 10.0 111.339 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -73.09 -45.4 57.39 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.229 -0.656 . . . . 10.0 109.229 178.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -68.71 -33.16 73.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.53 -0.759 . . . . 10.0 109.193 178.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -61.73 -41.85 98.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.449 -0.796 . . . . 10.0 110.321 178.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 23.6 tp -69.15 -35.7 76.62 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.01 0.433 . . . . 10.0 110.915 179.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.08 -20.94 66.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.789 -0.641 . . . . 10.0 111.772 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 42.8 mtm105 -64.7 -36.83 85.53 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-O 120.814 0.34 . . . . 10.0 111.254 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 2.0 m -69.67 -22.18 63.46 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.133 -0.485 . . . . 10.0 111.25 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -93.19 -39.46 11.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.515 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 84.91 37.27 10.33 Favored Glycine 0 N--CA 1.449 -0.498 0 N-CA-C 110.64 -0.984 . . . . 10.0 110.64 -179.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 25.2 pt -125.12 157.89 65.47 Favored Pre-proline 0 C--N 1.324 -0.511 0 N-CA-C 109.913 -0.402 . . . . 10.0 109.913 -179.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -77.94 144.95 21.95 Favored 'Trans proline' 0 CA--C 1.531 0.35 0 C-N-CA 122.63 2.22 . . . . 10.0 112.606 -179.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -131.22 134.96 46.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 10.0 109.849 179.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 5.5 pt -138.78 150.47 23.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.422 -0.354 . . . . 10.0 111.152 179.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -84.6 137.25 33.4 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.934 -0.765 . . . . 10.0 108.934 178.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 15.6 m -140.46 156.07 46.48 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.134 0.492 . . . . 10.0 111.589 -178.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 3.2 t -145.68 116.79 7.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.592 -0.731 . . . . 10.0 109.066 178.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 146' ' ' ALA . . . . . 0.404 ' N ' ' O6 ' ' B' ' 201' ' ' GSP . . . -74.56 -26.11 59.73 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.749 0.309 . . . . 10.0 110.23 179.717 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -63.76 -44.03 94.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.912 -0.586 . . . . 10.0 110.218 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 32.2 p -91.71 -16.7 26.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.423 0.63 . . . . 10.0 110.067 179.176 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 13.9 ttt-85 68.27 24.33 7.47 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 114.824 -1.08 . . . . 10.0 111.024 -179.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -96.93 125.75 41.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.708 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 89.99 -8.62 79.49 Favored Glycine 0 N--CA 1.452 -0.244 0 CA-C-N 115.929 -0.578 . . . . 10.0 112.926 179.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 77.5 t -57.68 -58.11 7.54 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-O 120.704 0.288 . . . . 10.0 111.67 -179.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.8 -44.34 94.01 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.255 -0.429 . . . . 10.0 111.284 -179.175 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -59.37 -37.14 77.18 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.979 -0.555 . . . . 10.0 112.255 -178.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.26 -45.26 93.92 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.139 0.495 . . . . 10.0 110.487 179.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -69.27 -39.19 78.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.758 -0.656 . . . . 10.0 110.822 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -59.54 -46.14 89.75 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.403 0.62 . . . . 10.0 110.689 179.13 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 27.9 m -60.12 -41.71 93.21 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.525 -0.762 . . . . 10.0 111.644 -179.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 23.3 tp -61.48 -38.42 87.19 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 120.9 0.381 . . . . 10.0 111.567 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 89.5 t -66.44 -41.65 89.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.265 0.555 . . . . 10.0 109.783 179.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 1.9 tpp180 -63.47 -35.46 80.51 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 115.251 -0.886 . . . . 10.0 110.12 179.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -65.47 -38.45 89.83 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.869 -0.605 . . . . 10.0 111.162 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 65.7 mt -65.34 -43.99 94.82 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 N-CA-C 109.385 -0.598 . . . . 10.0 109.385 178.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -65.55 -32.46 74.07 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.677 -0.692 . . . . 10.0 109.886 179.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 3.9 tmmm? -62.77 -49.48 74.81 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 108.868 -0.79 . . . . 10.0 108.868 178.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -58.37 -41.32 84.5 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.809 -0.632 . . . . 10.0 110.374 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 33.3 mtpt -62.54 -44.81 95.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.828 179.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -63.29 -41.73 99.01 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 109.71 -0.478 . . . . 10.0 109.71 179.04 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 5.1 mtpt -60.95 -40.04 91.8 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 115.693 -0.685 . . . . 10.0 110.421 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 69.5 mmm -76.0 -32.7 59.55 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.363 0.505 . . . . 10.0 112.363 -179.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 37.5 m -62.6 -33.45 75.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.044 0.449 . . . . 10.0 111.367 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -98.05 -37.6 9.69 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.0 -0.546 . . . . 10.0 111.168 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 173' ' ' ASP . . . . . . . . . . . . . 2.1 t70 60.48 -159.68 0.31 Allowed 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.894 -0.594 . . . . 10.0 111.003 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . -159.32 -93.18 0.09 OUTLIER Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.776 -0.726 . . . . 10.0 112.119 179.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 175' ' ' LYS . . . . . . . . . . . . . 11.6 mttm -134.73 -179.23 5.47 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.553 0.216 . . . . 10.0 110.62 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 176' ' ' LYS . . . . . . . . . . . . . 79.4 tttt 69.31 -76.84 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.727 -0.669 . . . . 10.0 112.653 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 177' ' ' LYS . . . . . . . . . . . . . 23.0 mmtm -78.87 -69.11 0.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.238 0.459 . . . . 10.0 112.238 -178.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 3.7 tppt? 55.09 63.09 2.23 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.433 0.635 . . . . 10.0 109.769 -178.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 179' ' ' LYS . . . . . . . . . . . . . 29.7 mmtt -71.05 144.6 50.33 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 113.09 0.774 . . . . 10.0 113.09 -177.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 180' ' ' LYS . . . . . 0.409 ' NZ ' ' O2P' ' C' ' 203' ' ' PCW . 0.0 OUTLIER -98.52 151.13 20.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.156 -0.929 . . . . 10.0 110.011 179.704 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 69.9 m -127.54 171.05 11.96 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 116.596 -0.275 . . . . 10.0 110.589 179.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -71.62 169.5 15.41 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.981 179.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.07 -50.59 6.07 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.141 179.193 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 184' ' ' LYS . . . . . . . . . . . . . 36.8 mttp . . . . . 0 C--N 1.327 -0.41 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.297 178.71 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.889 0.376 . . . . 10.0 110.962 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.94 125.01 38.31 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.737 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -90.66 136.89 32.77 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.46 -0.336 . . . . 10.0 110.202 179.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 99.6 m-85 -129.94 121.19 26.11 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.8 -0.444 . . . . 10.0 109.8 179.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 48.1 mttm -91.55 111.43 22.93 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.967 0.413 . . . . 10.0 110.856 -179.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 34.7 mt -113.85 129.08 56.63 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.646 -0.706 . . . . 10.0 110.296 -179.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 46.2 t -115.06 118.32 58.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-O 121.113 0.482 . . . . 10.0 110.734 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 10.9 t -84.21 119.05 32.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.978 -0.556 . . . . 10.0 109.517 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 31.2 m -114.43 151.69 16.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 116.319 -0.4 . . . . 10.0 110.832 -179.182 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 163.19 179.69 37.84 Favored Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 111.434 -0.667 . . . . 10.0 111.434 -179.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -86.56 -166.09 1.46 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.185 0.517 . . . . 10.0 111.938 -179.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.6 132.74 33.82 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.864 -0.607 . . . . 10.0 111.837 -179.592 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 77.27 17.28 79.62 Favored Glycine 0 N--CA 1.45 -0.383 0 CA-C-N 115.603 -0.726 . . . . 10.0 113.955 178.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 16.2 m -79.6 -32.44 14.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 122.287 -0.537 . . . . 10.0 111.727 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.83 32.01 3.47 Favored Glycine 0 C--N 1.33 0.199 0 C-N-CA 120.654 -0.784 . . . . 10.0 113.599 179.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 6.8 mtmp? -68.95 -45.37 70.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.67 0.748 . . . . 10.0 109.749 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 17' ' ' SER . . . . . 0.484 ' OG ' ' O3G' ' C' ' 201' ' ' GSP . 14.7 m -73.22 -38.75 65.95 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.484 -0.78 . . . . 10.0 111.1 -179.531 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.5 -42.06 70.34 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 87.1 mt -72.08 -43.97 64.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.895 179.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 9.7 m -66.54 -43.48 85.0 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.274 0.472 . . . . 10.0 112.274 -179.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.04 -35.39 71.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.942 0.401 . . . . 10.0 110.659 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -68.0 -31.17 70.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.272 0.558 . . . . 10.0 109.879 178.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 5.4 tp -78.46 -43.11 27.99 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.646 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 47.7 mm -75.34 -68.1 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 113.158 0.799 . . . . 10.0 113.158 -178.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -91.42 -17.52 25.66 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 113.185 0.809 . . . . 10.0 113.185 -177.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 39.2 m-80 71.86 47.43 0.32 Allowed 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 114.377 1.251 . . . . 10.0 114.377 178.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 15.5 p80 -146.52 155.1 42.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 122.287 -0.258 . . . . 10.0 111.463 178.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -93.26 120.23 33.31 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.925 -0.58 . . . . 10.0 110.614 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 3.4 m -92.13 97.6 7.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.135 0.493 . . . . 10.0 110.954 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -71.69 -20.95 61.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.993 -0.549 . . . . 10.0 109.947 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -87.53 124.03 33.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.708 -0.678 . . . . 10.0 109.596 179.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -74.82 133.42 41.91 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.857 -0.337 . . . . 10.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -119.59 117.68 32.62 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.736 179.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_exo -76.14 75.59 4.14 Favored 'Trans proline' 0 N--CA 1.461 -0.427 0 C-N-CA 122.97 2.446 . . . . 10.0 109.948 178.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 35' ' ' THR . . . . . 0.447 ' OG1' ' O3G' ' C' ' 201' ' ' GSP . 4.3 m -60.1 136.59 58.07 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.48 -0.782 . . . . 10.0 112.655 -179.017 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 43.0 mm -96.04 -48.58 12.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 108.202 -1.036 . . . . 10.0 108.202 178.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -171.63 102.67 0.19 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.768 -1.106 . . . . 10.0 108.656 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -118.45 148.35 42.67 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.517 0.199 . . . . 10.0 110.662 -179.089 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 40.1 p -131.37 129.53 41.46 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.7 0.286 . . . . 10.0 110.914 179.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -120.85 142.14 49.93 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 110.156 -0.313 . . . . 10.0 110.156 -179.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? -117.6 136.32 53.37 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.457 -0.338 . . . . 10.0 110.54 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 51.3 tttp -146.02 139.11 25.87 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.745 -0.207 . . . . 10.0 110.554 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -115.19 107.64 15.57 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.968 -0.382 . . . . 10.0 109.968 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 10.2 m -129.65 174.25 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.075 0.464 . . . . 10.0 111.589 -179.205 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 21.9 t -105.86 116.24 49.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.426 -0.583 . . . . 10.0 109.426 178.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 39.9 mt -122.54 121.16 62.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.902 -179.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 61.34 31.31 19.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.445 -0.798 . . . . 10.0 111.954 179.058 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.58 8.02 83.64 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.843 -0.694 . . . . 10.0 113.385 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -125.97 132.41 52.06 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.877 0.338 . . . . 10.0 110.9 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 1.3 m -74.15 128.73 36.3 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.367 -0.975 . . . . 10.0 108.367 178.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -130.79 149.66 52.32 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.256 0.55 . . . . 10.0 112.474 -178.155 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 32.2 tp -106.52 102.4 11.79 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.191 -1.04 . . . . 10.0 108.191 178.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 83.6 mt -83.98 116.42 22.81 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.982 -0.553 . . . . 10.0 112.298 -178.005 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -106.5 91.24 3.61 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.024 -1.102 . . . . 10.0 108.024 178.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 70.4 mt -101.62 131.69 48.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.444 -0.798 . . . . 10.0 112.051 -177.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 1.5 tt -114.8 135.45 54.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.837 -0.62 . . . . 10.0 110.004 179.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 57' ' ' ASP . . . . . 0.511 ' OD2' ' O3G' ' C' ' 201' ' ' GSP . 24.0 t0 -95.91 116.06 28.36 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.897 -0.592 . . . . 10.0 110.206 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 49.0 p -85.5 171.45 11.75 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.442 -0.799 . . . . 10.0 111.268 -179.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -107.35 110.7 22.76 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.071 178.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -85.46 39.56 3.01 Favored Glycine 0 CA--C 1.507 -0.42 0 C-N-CA 120.763 -0.732 . . . . 10.0 112.129 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -98.68 6.82 46.73 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.509 0.195 . . . . 10.0 111.13 -179.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 62' ' ' GLU . . . . . 0.406 ' CG ' ' H ' ' C' ' 63' ' ' GLU . 4.3 tp10 63.57 -162.91 0.27 Allowed 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.0 -0.545 . . . . 10.0 110.368 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 63' ' ' GLU . . . . . 0.406 ' H ' ' CG ' ' C' ' 62' ' ' GLU . 2.7 tt0 72.61 -43.08 0.55 Allowed 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 113.459 0.911 . . . . 10.0 113.459 179.588 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -79.27 71.76 5.81 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.634 0.605 . . . . 10.0 112.634 -179.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.51 -33.66 54.32 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.3 0.571 . . . . 10.0 110.616 179.705 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -77.89 -37.82 47.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.792 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 44.5 ttp -66.96 -22.41 65.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.943 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 68' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -63.92 -41.92 97.53 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.113 -0.494 . . . . 10.0 111.646 -179.039 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -60.19 -33.66 72.53 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 116.091 -0.504 . . . . 10.0 111.506 -179.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -55.47 -66.27 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 113.173 0.805 . . . . 10.0 113.173 -177.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 71' ' ' TYR . . . . . . . . . . . . . 13.8 p90 -69.93 -16.31 63.2 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 113.892 1.071 . . . . 10.0 113.892 -178.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 44.7 mtt -74.85 -28.85 60.84 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.971 0.415 . . . . 10.0 111.17 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 75.0 mtt180 -78.18 -35.65 48.47 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.986 -0.552 . . . . 10.0 111.58 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.45 -22.01 25.21 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.208 -0.451 . . . . 10.0 112.128 -179.349 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -80.13 128.75 8.67 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.507 -0.854 . . . . 10.0 113.137 -179.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -89.77 -33.97 16.35 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.867 -0.42 . . . . 10.0 109.867 179.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -132.42 145.84 17.65 Favored Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 111.191 -0.764 . . . . 10.0 111.191 179.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 78' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -121.52 134.54 55.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.266 0.555 . . . . 10.0 111.907 -179.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 8.0 tp -105.62 102.5 11.95 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.661 -0.699 . . . . 10.0 109.367 178.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 11.0 m -82.3 93.16 7.09 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.801 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 48.3 t -98.37 123.16 50.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.258 0.551 . . . . 10.0 111.159 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -128.41 160.23 32.9 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.626 -0.716 . . . . 10.0 109.663 178.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -99.1 127.02 44.97 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.999 -0.371 . . . . 10.0 109.999 -179.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 84' ' ' ILE . . . . . . . . . . . . . 24.8 pt -65.41 -18.1 23.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.286 -0.415 . . . . 10.0 111.702 -179.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 11.7 p-10 -92.41 4.15 54.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.731 -0.668 . . . . 10.0 110.638 179.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -135.27 98.74 4.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.796 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -58.14 -36.01 72.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.739 -0.664 . . . . 10.0 112.133 -179.281 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -59.63 -39.92 85.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 10.0 112.038 -179.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 96.6 p -66.01 -24.69 66.81 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.973 0.416 . . . . 10.0 111.64 -179.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -74.9 -38.22 61.89 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.51 -0.552 . . . . 10.0 109.51 179.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -72.76 -33.35 66.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.679 -0.691 . . . . 10.0 110.291 179.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -58.23 -32.79 68.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.203 179.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 47.1 mm -59.72 -40.8 83.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.001 -0.545 . . . . 10.0 111.26 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -59.84 -48.88 79.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.629 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -65.21 -37.81 88.46 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.719 -0.673 . . . . 10.0 111.151 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 6.8 m-30 -63.93 -45.28 89.93 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.029 -0.532 . . . . 10.0 111.191 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 20.1 ttt-85 -62.68 -42.97 99.91 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.674 -0.239 . . . . 10.0 111.193 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -58.58 -30.91 67.55 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 116.317 -0.402 . . . . 10.0 111.486 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -80.64 -39.86 26.63 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.393 -0.367 . . . . 10.0 110.578 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 96.7 mt -55.1 -44.79 75.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.057 179.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 18.9 mtmt -62.79 -30.53 71.53 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.41 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 26.6 ttm180 -77.05 -44.47 30.64 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.147 -0.478 . . . . 10.0 111.226 -179.115 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 25.0 t -69.63 -45.12 78.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.215 -0.448 . . . . 10.0 111.541 -179.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 18.8 mtpp -82.64 -10.19 59.05 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.386 -0.37 . . . . 10.0 111.288 -179.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 105' ' ' ASP . . . . . 0.454 ' C ' ' HG ' ' C' ' 106' ' ' SER . 21.7 t70 56.95 42.14 26.7 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.363 0.602 . . . . 10.0 111.448 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 106' ' ' SER . . . . . 0.454 ' HG ' ' C ' ' C' ' 105' ' ' ASP . 17.0 m -153.39 133.23 13.16 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.679 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -74.81 -32.99 62.13 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.617 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -102.81 103.18 13.36 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.309 -0.405 . . . . 10.0 111.545 -179.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 45.5 t -129.9 135.01 26.83 Favored Pre-proline 0 C--N 1.328 -0.344 0 N-CA-C 108.899 -0.778 . . . . 10.0 108.899 179.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -58.8 108.42 0.41 Allowed 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.736 2.291 . . . . 10.0 112.233 179.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 111' ' ' MET . . . . . . . . . . . . . 53.6 mtm -137.05 152.84 50.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.807 -0.633 . . . . 10.0 110.192 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 94.4 t -131.17 133.0 63.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 110.207 -0.294 . . . . 10.0 110.207 179.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 21.7 tp -91.55 122.95 34.59 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.364 -0.606 . . . . 10.0 109.364 179.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 61.8 t -122.71 125.82 73.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-O 121.046 0.451 . . . . 10.0 111.453 -178.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -102.27 102.33 2.29 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 109.942 -1.263 . . . . 10.0 109.942 178.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -87.18 163.91 16.66 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.231 0.456 . . . . 10.0 112.231 -177.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 86.8 mttt 64.01 30.25 14.1 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.243 -0.89 . . . . 10.0 111.989 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 118' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.51 -6.48 30.89 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 112.893 0.701 . . . . 10.0 112.893 -179.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -94.48 -5.21 46.66 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 120.741 -0.384 . . . . 10.0 110.245 178.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 35.1 mt -82.65 138.94 43.82 Favored Pre-proline 0 C--O 1.234 0.252 0 N-CA-C 109.413 -0.588 . . . . 10.0 109.413 178.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -71.48 158.44 53.97 Favored 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 122.498 2.132 . . . . 10.0 113.162 -179.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 35.3 m 56.04 76.24 0.29 Allowed 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.126 -0.943 . . . . 10.0 113.189 179.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 17.1 ptp180 -85.94 138.1 32.25 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.541 -0.3 . . . . 10.0 110.493 179.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -86.22 -33.37 20.77 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.096 0.474 . . . . 10.0 110.576 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 57.6 t -98.56 117.53 43.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.035 -0.529 . . . . 10.0 110.115 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -75.81 159.0 31.47 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.6 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.52 -44.72 70.45 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.321 -0.4 . . . . 10.0 110.758 -179.315 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 9.8 pttm -53.6 -52.62 59.22 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.737 -0.665 . . . . 10.0 112.624 -179.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -62.13 -36.39 81.64 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.249 0.462 . . . . 10.0 112.249 -178.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -73.63 -43.1 60.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.153 0.501 . . . . 10.0 110.335 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -66.08 -40.02 90.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.578 -0.737 . . . . 10.0 111.931 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -66.22 -41.12 90.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.753 0.311 . . . . 10.0 110.431 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 22.4 tp -62.53 -41.48 98.89 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.985 -0.746 . . . . 10.0 108.985 178.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -67.07 -35.04 78.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.711 -0.677 . . . . 10.0 109.636 178.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? -65.47 -43.4 90.4 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.4 -0.818 . . . . 10.0 110.37 179.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 18.2 m -58.67 -39.41 80.59 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.314 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -83.56 -33.89 25.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.081 -0.509 . . . . 10.0 111.043 -179.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 102.16 30.39 5.71 Favored Glycine 0 N--CA 1.454 -0.137 0 C-N-CA 120.913 -0.661 . . . . 10.0 112.705 179.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 49.1 pt -117.03 154.04 49.7 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-O 120.631 0.253 . . . . 10.0 110.839 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -80.16 155.19 22.45 Favored 'Trans proline' 0 CA--C 1.534 0.508 0 C-N-CA 122.551 2.168 . . . . 10.0 112.283 179.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -126.85 124.33 39.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.48 179.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 50.2 mt -127.19 133.95 67.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.301 -0.409 . . . . 10.0 110.364 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -90.46 127.21 36.15 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.174 -0.676 . . . . 10.0 109.174 178.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 81.1 p -127.74 -178.68 4.59 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.565 0.698 . . . . 10.0 112.262 -178.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 145' ' ' SER . . . . . 0.485 ' CB ' ' HG1' ' C' ' 148' ' ' THR . 1.9 t -170.5 126.33 0.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.805 -1.089 . . . . 10.0 108.824 178.72 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -66.93 -26.07 66.67 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.441 -0.345 . . . . 10.0 111.657 -178.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -80.21 -40.38 27.26 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 112.25 0.463 . . . . 10.0 112.25 -179.328 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 148' ' ' THR . . . . . 0.485 ' HG1' ' CB ' ' C' ' 145' ' ' SER . 31.9 p -84.94 -23.36 28.84 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.38 0.511 . . . . 10.0 112.38 -178.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 68.21 22.86 8.04 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 121.778 0.799 . . . . 10.0 110.1 -179.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -91.88 128.97 37.92 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.762 -0.654 . . . . 10.0 111.231 -179.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 72.59 -3.52 25.35 Favored Glycine 0 C--N 1.333 0.365 0 CA-C-N 115.891 -0.595 . . . . 10.0 114.307 178.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 61.0 t -60.16 -51.82 68.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 111.971 0.36 . . . . 10.0 111.971 -178.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.0 -42.14 76.86 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.376 -179.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -67.06 -33.36 75.35 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.611 0.597 . . . . 10.0 112.611 -178.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -56.97 -47.2 81.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.947 0.403 . . . . 10.0 110.637 179.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -68.89 -39.54 79.68 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.62 179.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 3.8 m-30 -64.64 -37.14 86.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.914 -0.585 . . . . 10.0 111.243 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 97.3 m -62.38 -34.96 77.72 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.033 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 12.5 tp -64.71 -30.78 71.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.469 0.652 . . . . 10.0 109.625 178.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 21.8 t -73.34 -39.91 56.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.076 -0.713 . . . . 10.0 109.076 178.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.73 -46.28 90.31 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 115.715 -0.675 . . . . 10.0 110.196 179.217 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -62.38 -41.14 98.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.924 -0.58 . . . . 10.0 111.326 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 18.9 mt -62.22 -44.55 99.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.203 0.525 . . . . 10.0 109.835 178.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 80.4 mtt180 -65.24 -40.75 94.47 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.719 -0.673 . . . . 10.0 110.431 179.058 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 20.4 ttpt -65.76 -43.04 90.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.508 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 29.3 t-80 -59.78 -56.37 22.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.954 -0.567 . . . . 10.0 110.879 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -59.78 -37.61 79.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 10.0 111.984 -179.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -70.49 -46.89 62.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.978 0.418 . . . . 10.0 111.011 179.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.2 -31.64 72.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.494 . . . . 10.0 110.743 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 50.6 mmm -71.02 -30.51 66.75 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.235 -0.438 . . . . 10.0 110.747 179.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 69.8 m -67.34 -29.14 68.61 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.061 0.457 . . . . 10.0 110.17 179.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -100.14 -7.43 24.83 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 116.02 -0.536 . . . . 10.0 110.496 179.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 173' ' ' ASP . . . . . . . . . . . . . 29.5 t70 71.64 -56.24 0.64 Allowed 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 115.195 -0.911 . . . . 10.0 113.42 179.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . -123.92 -174.8 14.23 Favored Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.626 -0.797 . . . . 10.0 112.499 -179.004 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 175' ' ' LYS . . . . . . . . . . . . . 14.0 ptpt -91.78 106.56 18.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.187 0.518 . . . . 10.0 110.717 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 176' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -146.55 93.31 2.28 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.753 -0.658 . . . . 10.0 110.41 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 177' ' ' LYS . . . . . . . . . . . . . 4.5 tptp -124.15 38.6 4.16 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.044 -0.725 . . . . 10.0 109.044 179.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 178' ' ' LYS . . . . . . . . . . . . . 46.0 tttm -60.43 145.9 46.51 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.545 -0.752 . . . . 10.0 111.895 -179.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 179' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.42 161.49 25.9 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.733 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 180' ' ' LYS . . . . . . . . . . . . . 25.0 ttpt -82.63 119.17 23.94 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.794 -0.447 . . . . 10.0 109.794 179.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 16.3 m -134.16 160.88 36.46 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.727 -0.215 . . . . 10.0 110.537 -179.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 182' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.7 149.56 42.35 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 110.334 -0.247 . . . . 10.0 110.334 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -132.11 -83.09 0.5 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.055 179.63 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 184' ' ' LYS . . . . . . . . . . . . . 19.3 pttp . . . . . 0 C--O 1.237 0.418 0 CA-C-N 116.514 -0.312 . . . . 10.0 111.63 179.925 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 401' ' ' PCW . . . . . 0.647 ' C6 ' ' O31' ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 402' ' ' PCW . . . . . 0.477 ' O2 ' ' O4P' ' A' ' 402' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 403' ' ' PCW . . . . . 0.598 ' C5 ' ' O11' ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 404' ' ' PCW . . . . . 0.756 ' C22' ' C18' ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 405' ' ' PCW . . . . . 0.45 ' C7 ' ' O1 ' ' B' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 406' ' ' PCW . . . . . 0.503 ' O2P' ' C5 ' ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 407' ' ' PCW . . . . . 0.817 ' C21' ' C17' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 408' ' ' PCW . . . . . 0.577 ' O4P' ' C6 ' ' A' ' 408' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 409' ' ' PCW . . . . . 0.783 ' C14' ' C19' ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 410' ' ' PCW . . . . . 0.479 ' O11' ' C2 ' ' A' ' 410' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 411' ' ' PCW . . . . . 0.476 ' C32' ' C4 ' ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 412' ' ' PCW . . . . . 0.427 ' O31' ' O3 ' ' A' ' 412' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 413' ' ' PCW . . . . . 0.567 ' C11' ' O31' ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 414' ' ' PCW . . . . . 0.672 ' C22' ' C18' ' A' ' 414' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 415' ' ' 17F . . . . . 0.567 ' C37' ' C12' ' A' ' 414' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 416' ' ' 17F . . . . . 0.428 ' O7 ' ' C17' ' A' ' 416' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 417' ' ' PCW . . . . . 0.504 ' O31' ' P ' ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 418' ' ' PCW . . . . . 0.559 ' C6 ' ' O4P' ' A' ' 418' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 419' ' ' PCW . . . . . 0.477 ' O3 ' ' O31' ' A' ' 419' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 420' ' ' PCW . . . . . 0.527 ' C31' ' O3 ' ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 421' ' ' PCW . . . . . 0.502 ' C12' ' C9 ' ' D' ' 630' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 422' ' ' 17F . . . . . 0.493 ' C36' ' C39' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 601' ' ' PCW . . . . . 0.665 ' C42' ' C46' ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 602' ' ' PCW . . . . . 0.605 ' C6 ' ' O4P' ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 603' ' ' PCW . . . . . 0.492 ' C6 ' ' P ' ' C' ' 216' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 604' ' ' PCW . . . . . 0.606 ' O3 ' ' O31' ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 605' ' ' PCW . . . . . 0.701 ' O31' ' P ' ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 606' ' ' PCW . . . . . 0.603 ' C14' ' C18' ' D' ' 606' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 607' ' ' PCW . . . . . 0.599 ' C1 ' ' C37' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 608' ' ' PCW . . . . . 0.445 ' C2 ' ' O11' ' D' ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 609' ' ' PCW . . . . . 0.489 ' O3 ' ' O31' ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 610' ' ' PCW . . . . . 0.627 ' C20' ' C24' ' D' ' 610' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 611' ' ' PCW . . . . . 0.433 ' C33' ' C22' ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 612' ' ' PCW . . . . . 0.563 ' C32' ' C35' ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 613' ' ' PCW . . . . . 0.725 ' C21' ' C17' ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 614' ' ' PCW . . . . . 0.571 ' C5 ' ' O1P' ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 615' ' ' PCW . . . . . 0.675 ' C46' ' C42' ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 616' ' ' PCW . . . . . 0.524 ' C31' ' O3 ' ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 617' ' ' PCW . . . . . 0.467 ' C34' ' C34' ' C' ' 216' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 618' ' ' PCW . . . . . 0.644 ' C23' ' C27' ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 619' ' ' PCW . . . . . 0.454 ' O3P' ' O31' ' D' ' 619' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 620' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 621' ' ' PCW . . . . . 0.584 ' O1P' ' C6 ' ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 622' ' ' PCW . . . . . 0.584 ' C6 ' ' O1P' ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 623' ' ' PCW . . . . . 0.702 ' C32' ' C36' ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 624' ' ' PCW . . . . . 0.661 ' C24' ' C20' ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 625' ' ' PCW . . . . . 0.573 ' O3P' ' O31' ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 626' ' ' PCW . . . . . 0.661 ' C23' ' C27' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 627' ' ' PCW . . . . . 0.622 ' C20' ' C35' ' C' ' 217' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 628' ' ' 17F . . . . . 0.648 ' C31' ' C19' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 629' ' ' 17F . . . . . 0.496 ' O7 ' ' C17' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 630' ' ' 17F . . . . . 0.543 ' O8 ' ' C5 ' ' D' ' 630' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 631' ' ' 17F . . . . . 0.594 ' O10' ' O7 ' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 632' ' ' 17F . . . . . 0.546 ' O8 ' ' C5 ' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 201' ' ' GSP . . . . . 0.656 ' O2A' ' S1G' ' B' ' 201' ' ' GSP . . . . . . . . 0 O4'--C1' 1.439 2.089 2 O4'-C1'-N19 113.546 5.346 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 202' ' ' ' MG' . . . . . 0.629 'MG ' ' O3G' ' B' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 203' ' ' PCW . . . . . 0.538 ' C5 ' ' C33' ' C' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 204' ' ' PCW . . . . . 0.446 ' C40' ' C6 ' ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 205' ' ' PCW . . . . . 0.663 ' C21' ' C25' ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 206' ' ' PCW . . . . . 0.626 ' C3 ' ' O1P' ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 207' ' ' PCW . . . . . 0.647 ' O31' ' C6 ' ' A' ' 401' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 208' ' ' PCW . . . . . 0.655 ' C43' ' C47' ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 209' ' ' 17F . . . . . 0.692 ' C31' ' C19' ' B' ' 209' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 210' ' ' 17F . . . . . 0.498 ' C24' ' C12' ' B' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 211' ' ' 17F . . . . . 0.501 ' O10' ' O7 ' ' B' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 201' ' ' GSP . . . . . 0.607 ' O3G' 'MG ' ' C' ' 202' ' ' ' MG' . . . . . . . . 0 O4'--C1' 1.438 2.019 2 O4'-C1'-N19 113.894 5.694 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 202' ' ' ' MG' . . . . . 0.607 'MG ' ' O3G' ' C' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 203' ' ' PCW . . . . . 0.671 ' C21' ' C25' ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 204' ' ' PCW . . . . . 0.678 ' C42' ' C46' ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 205' ' ' PCW . . . . . 0.586 ' O3 ' ' O31' ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 206' ' ' PCW . . . . . 0.655 ' C24' ' C28' ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 207' ' ' PCW . . . . . 0.467 ' O31' ' C1 ' ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 208' ' ' PCW . . . . . 0.516 ' O3 ' ' O31' ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 209' ' ' PCW . . . . . 0.668 ' C22' ' C26' ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 210' ' ' PCW . . . . . 0.604 ' C26' ' C22' ' C' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 211' ' ' PCW . . . . . 0.538 ' C33' ' C5 ' ' B' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 212' ' ' PCW . . . . . 0.644 ' C20' ' C24' ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 213' ' ' 17F . . . . . 0.493 ' O7 ' ' O10' ' C' ' 213' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 214' ' ' 17F . . . . . 0.504 ' O8 ' ' C5 ' ' C' ' 214' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 215' ' ' 17F . . . . . 0.672 ' HN1' ' P1 ' ' C' ' 215' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 216' ' ' PCW . . . . . 0.495 ' C1 ' ' O31' ' C' ' 216' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 217' ' ' PCW . . . . . 0.622 ' C35' ' C20' ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 218' ' ' 17F . . . . . 0.51 ' C7 ' ' C18' ' C' ' 218' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 219' ' ' 17F . . . . . 0.439 ' O1 ' ' C5 ' ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 59.5 mt . . . . . 0 CA--C 1.519 -0.212 0 CA-C-O 120.975 0.417 . . . . 10.0 110.511 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 9.2 tmtm? -60.41 -48.49 81.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.635 -0.711 . . . . 10.0 111.349 -179.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 95.5 mt -67.76 -38.39 83.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.755 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 51.2 mt -65.34 -43.59 90.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.166 0.508 . . . . 10.0 111.209 -179.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -61.72 -39.61 92.12 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.826 -0.625 . . . . 10.0 111.17 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -78.95 -22.54 45.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.112 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 81.8 t90 -71.83 -40.03 69.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.198 179.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -61.8 -35.26 77.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.406 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.68 -45.37 94.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.873 -0.603 . . . . 10.0 110.225 179.327 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 39.1 t -66.92 -39.38 83.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.371 -0.603 . . . . 10.0 109.371 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 31.3 m -60.98 -46.53 90.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.655 -0.702 . . . . 10.0 110.943 179.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 2.4 p -68.58 -28.28 66.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.025 0.441 . . . . 10.0 110.65 179.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 94.0 m -67.3 -43.43 81.71 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 108.625 -0.879 . . . . 10.0 108.625 177.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -60.32 -43.63 96.2 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 115.732 -0.667 . . . . 10.0 110.111 178.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 12.9 m -56.03 -54.1 48.94 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.78 179.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 22.5 mmtp -61.31 -40.74 95.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.352 -0.385 . . . . 10.0 111.668 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 67.6 mt -65.86 -35.41 80.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.348 -0.387 . . . . 10.0 111.055 179.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 55.7 mtt180 -73.48 -35.1 65.63 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 116.645 -0.252 . . . . 10.0 110.951 179.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -65.64 -34.17 77.6 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.498 -0.927 . . . . 10.0 108.498 178.046 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -77.91 -30.83 50.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.326 -0.852 . . . . 10.0 109.881 179.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 10.6 mt -56.24 -34.62 66.51 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.883 -0.599 . . . . 10.0 111.323 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -56.41 -69.79 1.17 Allowed Glycine 0 C--N 1.333 0.384 0 N-CA-C 111.01 -0.836 . . . . 10.0 111.01 178.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -51.91 -40.92 65.85 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.697 2.264 . . . . 10.0 111.534 177.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 56.1 t -55.98 -56.1 14.65 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 O-C-N 123.069 0.231 . . . . 10.0 111.152 179.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 9.2 p -63.57 -38.33 90.72 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 120.929 -0.308 . . . . 10.0 110.923 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -61.78 -47.29 85.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.375 -0.375 . . . . 10.0 111.047 179.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -70.71 -40.89 72.56 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 120.97 0.414 . . . . 10.0 110.877 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -64.25 -44.99 90.09 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.893 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -67.19 -34.57 77.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.423 179.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -62.25 -50.85 70.1 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.821 -0.437 . . . . 10.0 109.821 178.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -63.77 -35.4 80.48 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.185 -0.672 . . . . 10.0 109.185 178.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 6.0 mt -62.65 -40.08 95.9 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.675 -0.693 . . . . 10.0 109.917 178.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -63.59 -41.26 98.35 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-N 116.122 -0.49 . . . . 10.0 109.907 179.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 66.6 mttt -64.99 -41.97 94.93 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.254 -0.647 . . . . 10.0 109.254 178.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.54 -48.08 83.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.081 -0.963 . . . . 10.0 110.051 178.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.57 -34.49 72.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.077 -0.511 . . . . 10.0 111.146 179.558 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -61.03 -43.62 98.62 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.261 -0.644 . . . . 10.0 109.261 178.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -61.68 -42.29 99.73 Favored Glycine 0 N--CA 1.448 -0.549 0 N-CA-C 109.975 -1.25 . . . . 10.0 109.975 178.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 94.0 mt -65.37 -33.64 76.43 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-O 120.762 0.315 . . . . 10.0 110.692 178.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 42.1 mtt180 -67.89 -46.73 70.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.981 0.42 . . . . 10.0 110.279 178.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -65.62 -41.19 92.98 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 121.451 0.644 . . . . 10.0 109.292 179.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -70.32 -20.73 62.98 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.45 -0.796 . . . . 10.0 111.003 179.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 37.3 ttm -62.76 -30.65 71.6 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.967 -0.753 . . . . 10.0 108.967 178.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 19.0 m -73.69 1.56 10.02 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.434 -0.803 . . . . 10.0 110.337 178.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -124.25 -62.91 1.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.734 -0.667 . . . . 10.0 109.279 178.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 246' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -50.37 -49.72 53.47 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.442 -0.799 . . . . 10.0 112.616 -178.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . 35.5 mt -91.01 -38.61 12.71 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.664 0.616 . . . . 10.0 112.664 -179.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -65.29 -45.06 85.94 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 111.934 0.346 . . . . 10.0 111.934 -179.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -69.66 -38.83 77.25 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 121.142 -0.223 . . . . 10.0 110.537 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 250' ' ' VAL . . . . . . . . . . . . . 2.8 p -63.46 -34.42 67.3 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.188 0 C-N-CA 120.968 -0.293 . . . . 10.0 111.011 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -80.97 -32.82 34.22 Favored 'General case' 0 N--CA 1.456 -0.144 0 CA-C-O 120.918 0.389 . . . . 10.0 110.761 179.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -69.27 -38.95 78.64 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.325 -0.62 . . . . 10.0 109.325 179.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -86.61 -16.89 35.32 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.72 -0.673 . . . . 10.0 111.105 179.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 254' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.93 -25.72 38.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.831 0.348 . . . . 10.0 110.654 179.702 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -63.96 -64.48 2.81 Favored Pre-proline 0 N--CA 1.448 -0.539 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.337 179.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -66.57 -30.89 42.38 Favored 'Trans proline' 0 C--N 1.359 1.109 0 C-N-CA 121.85 1.7 . . . . 10.0 112.276 178.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 4.5 m-30 -63.52 -57.37 10.41 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.175 0.512 . . . . 10.0 110.406 179.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 55.9 mt -67.92 -34.19 76.14 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.762 -0.654 . . . . 10.0 111.262 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -64.59 -36.38 84.05 Favored 'General case' 0 CA--C 1.52 -0.178 0 O-C-N 123.211 0.319 . . . . 10.0 110.454 179.304 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -64.91 -52.62 55.44 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 121.292 0.568 . . . . 10.0 109.908 178.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -64.09 -34.54 78.27 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.651 -0.704 . . . . 10.0 110.641 178.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -66.83 -46.82 73.92 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.806 -0.442 . . . . 10.0 109.806 178.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -61.42 -46.22 91.02 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.65 -0.704 . . . . 10.0 109.64 179.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 264' ' ' LYS . . . . . . . . . . . . . 55.4 mttt -66.1 -37.49 85.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.721 -0.672 . . . . 10.0 110.627 178.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -62.4 -40.03 95.18 Favored 'General case' 0 CA--C 1.516 -0.363 0 N-CA-C 109.276 -0.639 . . . . 10.0 109.276 178.122 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -62.51 -39.39 93.36 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.671 -0.695 . . . . 10.0 109.38 178.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -68.72 -45.66 70.98 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.01 -0.541 . . . . 10.0 109.564 178.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -57.96 -48.03 81.16 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 115.975 -0.557 . . . . 10.0 109.829 179.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 59.7 mmm -64.23 -41.31 97.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.371 -0.832 . . . . 10.0 110.712 179.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -60.06 -49.22 78.52 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.04 179.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 59.5 mt -65.27 -43.43 91.25 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.621 -0.718 . . . . 10.0 110.006 179.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -57.91 -43.49 86.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.657 179.681 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 81.9 mtt180 -69.61 -42.85 73.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.099 -0.5 . . . . 10.0 110.34 178.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.78 -23.34 67.32 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.812 -0.631 . . . . 10.0 111.161 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 275' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -94.53 -40.41 9.88 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 116.371 -0.377 . . . . 10.0 111.09 179.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 3.2 p -56.86 -28.13 27.74 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 N-CA-C 112.573 0.582 . . . . 10.0 112.573 -179.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -68.16 -63.13 2.62 Favored Pre-proline 0 CA--C 1.537 0.457 0 N-CA-C 111.881 0.326 . . . . 10.0 111.881 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -69.17 -39.04 8.19 Favored 'Trans proline' 0 C--N 1.353 0.799 0 C-N-CA 121.913 1.742 . . . . 10.0 112.783 179.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 40.4 mt -62.27 -46.02 90.69 Favored 'General case' 0 C--N 1.333 -0.136 0 N-CA-C 111.716 0.265 . . . . 10.0 111.716 -179.228 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 23.2 ttm180 -66.95 -32.02 72.98 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 179.015 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -63.27 -43.47 97.87 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.812 -0.81 . . . . 10.0 108.812 178.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -62.26 -42.18 99.1 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.123 -0.695 . . . . 10.0 109.123 178.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 95.4 mt -64.24 -39.47 94.02 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.389 -0.823 . . . . 10.0 110.458 179.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -64.33 -53.75 43.79 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 120.905 0.384 . . . . 10.0 110.458 179.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -63.25 -36.75 84.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.893 -0.594 . . . . 10.0 110.376 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -68.64 -39.23 86.55 Favored Glycine 0 N--CA 1.445 -0.742 0 N-CA-C 110.392 -1.083 . . . . 10.0 110.392 178.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -65.11 -45.49 84.91 Favored 'General case' 0 CA--C 1.515 -0.379 0 N-CA-C 109.126 -0.694 . . . . 10.0 109.126 178.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -62.01 -34.53 76.37 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.782 -0.451 . . . . 10.0 109.782 179.084 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -68.4 -49.46 59.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.73 -0.668 . . . . 10.0 109.909 179.318 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -65.13 -45.11 86.4 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.838 -0.619 . . . . 10.0 110.748 179.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 69.0 mt -63.86 -31.19 72.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.193 179.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.4 -55.49 30.9 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.993 -0.743 . . . . 10.0 108.993 178.606 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.38 -33.58 75.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.753 179.472 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 59.6 mt -66.0 -50.6 63.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.271 -0.422 . . . . 10.0 109.948 178.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -63.88 -31.06 72.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.972 0.415 . . . . 10.0 110.512 179.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -67.93 -10.34 52.55 Favored 'General case' 0 C--O 1.225 -0.185 0 CA-C-N 115.899 -0.592 . . . . 10.0 110.995 178.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 16.7 mmtp -116.35 -26.83 7.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.242 178.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 48.0 mt -65.7 -38.92 90.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.38 -0.373 . . . . 10.0 111.282 179.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 299' ' ' SER . . . . . . . . . . . . . 19.4 m -72.98 -61.52 1.52 Allowed Pre-proline 0 C--N 1.324 -0.529 0 N-CA-C 113.015 0.746 . . . . 10.0 113.015 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 300' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -64.44 -53.74 0.99 Allowed 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 122.028 1.818 . . . . 10.0 112.944 -179.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 94.6 mt -67.98 -30.41 69.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.672 0.273 . . . . 10.0 110.708 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -69.64 -44.52 63.11 Favored Glycine 0 N--CA 1.451 -0.364 0 N-CA-C 109.879 -1.289 . . . . 10.0 109.879 178.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -60.58 -43.71 97.02 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 108.509 -0.923 . . . . 10.0 108.509 178.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.26 -43.65 94.21 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.073 -0.967 . . . . 10.0 110.049 179.257 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 28.1 ttt -61.65 -35.62 78.46 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.082 0.468 . . . . 10.0 110.001 179.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -68.52 -38.73 81.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.959 -0.564 . . . . 10.0 109.796 178.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -72.03 -38.82 69.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.942 -0.572 . . . . 10.0 109.904 179.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -64.47 -35.34 80.61 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.694 -0.854 . . . . 10.0 108.694 178.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -64.25 -33.52 75.99 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 115.603 -0.726 . . . . 10.0 109.08 178.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 310' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -59.01 -49.98 75.83 Favored 'General case' 0 CA--C 1.519 -0.236 0 N-CA-C 109.118 -0.697 . . . . 10.0 109.118 178.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -67.58 -40.55 84.83 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.236 179.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -54.35 -51.79 63.63 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 115.766 -0.652 . . . . 10.0 109.925 178.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 61.6 t -75.7 -34.55 28.91 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.262 0 CA-C-N 115.757 -0.656 . . . . 10.0 111.541 -179.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -60.19 -47.89 84.05 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.968 0.413 . . . . 10.0 110.053 179.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -61.86 -37.81 85.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.748 -0.66 . . . . 10.0 109.552 178.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 32.4 mt -67.57 -46.06 73.75 Favored 'General case' 0 C--O 1.225 -0.211 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.204 178.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 18.4 mtm105 -59.25 -46.84 87.42 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 120.918 0.39 . . . . 10.0 110.534 179.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 2.9 m -67.05 -16.07 64.12 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 121.358 0.599 . . . . 10.0 111.366 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 6.8 m80 -96.04 -43.11 7.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.912 0.387 . . . . 10.0 110.496 179.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 91.7 mt -67.97 -32.5 72.96 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.858 -0.61 . . . . 10.0 111.688 -179.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -54.16 -60.57 7.16 Favored Pre-proline 0 CA--C 1.539 0.538 0 N-CA-C 112.255 0.465 . . . . 10.0 112.255 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -69.12 -33.21 19.56 Favored 'Trans proline' 0 C--N 1.352 0.732 0 C-N-CA 121.512 1.474 . . . . 10.0 111.409 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 6.5 m-30 -61.94 -50.17 73.22 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 116.244 -0.435 . . . . 10.0 111.081 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 29.1 p -65.95 -39.64 90.63 Favored 'General case' 0 C--O 1.233 0.2 0 O-C-N 123.324 0.39 . . . . 10.0 110.754 -179.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -59.98 -44.32 94.55 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.966 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -78.89 -24.37 44.22 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.176 -0.465 . . . . 10.0 110.239 179.044 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 23.8 tp -65.17 -34.31 78.07 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 107.877 -1.157 . . . . 10.0 107.877 177.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 73.2 mtt180 -62.58 -38.52 90.43 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 108.503 -0.925 . . . . 10.0 108.503 178.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -68.78 -42.99 76.64 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 115.459 -0.791 . . . . 10.0 109.196 178.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 9.8 mtt-85 -59.58 -48.26 82.34 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-N 115.563 -0.744 . . . . 10.0 109.668 178.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 93.7 mt -61.38 -44.11 97.71 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.501 -0.772 . . . . 10.0 110.116 179.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -61.24 -44.45 97.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.496 . . . . 10.0 110.339 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -58.75 -44.65 90.62 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.91 0.385 . . . . 10.0 110.457 179.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 58.9 mtt-85 -66.94 -45.56 77.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.788 -0.642 . . . . 10.0 110.304 179.053 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 36.2 mt -60.92 -41.52 96.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.901 -0.59 . . . . 10.0 111.663 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -64.52 -45.24 88.05 Favored 'General case' 0 C--O 1.232 0.159 0 N-CA-C 109.778 -0.453 . . . . 10.0 109.778 179.007 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -63.05 -50.26 71.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.712 -0.677 . . . . 10.0 110.034 179.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 75.0 mt -66.94 -13.15 61.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.053 -0.521 . . . . 10.0 112.287 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 60.7 tttt -89.7 -48.2 7.43 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.857 -0.423 . . . . 10.0 109.857 178.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -69.91 -52.63 23.04 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.783 -0.451 . . . . 10.0 109.783 179.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -68.22 -36.52 79.64 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.135 -0.691 . . . . 10.0 109.135 178.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -64.96 -40.25 97.04 Favored Glycine 0 N--CA 1.443 -0.866 0 N-CA-C 110.975 -0.85 . . . . 10.0 110.975 179.159 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -63.81 -37.58 94.89 Favored Glycine 0 N--CA 1.451 -0.344 0 N-CA-C 110.216 -1.153 . . . . 10.0 110.216 178.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -65.98 -41.88 90.55 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 108.923 -0.769 . . . . 10.0 108.923 178.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 39.4 mtm180 -63.05 -43.91 97.34 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 115.72 -0.673 . . . . 10.0 109.982 178.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 54.0 mt -61.83 -45.3 94.4 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.67 179.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -63.1 -43.52 98.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.984 -0.553 . . . . 10.0 109.67 178.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -62.62 -47.67 82.74 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 115.653 -0.703 . . . . 10.0 109.976 178.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -60.21 -32.28 70.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.384 -0.371 . . . . 10.0 110.743 179.394 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -62.9 -50.01 72.57 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.044 -0.724 . . . . 10.0 109.044 178.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -63.7 -44.19 94.4 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.586 -0.734 . . . . 10.0 110.185 179.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 19.8 mttm -59.47 -47.26 86.16 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 123.527 0.517 . . . . 10.0 110.05 178.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -63.3 -34.62 78.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.565 179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 72.0 m -63.22 -48.09 79.75 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 109.348 -0.612 . . . . 10.0 109.348 179.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -63.78 -35.17 79.72 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 109.774 -0.454 . . . . 10.0 109.774 179.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -64.56 -38.64 91.71 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.825 -0.625 . . . . 10.0 109.411 178.317 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 92.4 mt -69.43 -38.24 77.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.037 -0.529 . . . . 10.0 109.995 179.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 11.8 m -61.9 -44.55 96.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.106 178.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 1.5 p -74.77 -27.06 60.17 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.012 -0.54 . . . . 10.0 110.175 179.192 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 26.9 tp -70.69 -30.14 66.63 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.14 -0.689 . . . . 10.0 109.14 178.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 21.8 m -66.66 -28.71 68.68 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.685 -0.689 . . . . 10.0 109.422 178.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -71.38 -22.29 61.9 Favored 'General case' 0 C--O 1.227 -0.117 0 N-CA-C 108.721 -0.844 . . . . 10.0 108.721 178.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 363' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -93.13 -27.81 16.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.398 -0.819 . . . . 10.0 110.005 179.125 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -79.97 -41.41 25.99 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.515 -0.766 . . . . 10.0 111.83 -179.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -92.27 -74.35 0.04 OUTLIER Pre-proline 0 C--N 1.322 -0.628 0 N-CA-C 112.944 0.72 . . . . 10.0 112.944 -179.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -61.61 -53.06 2.5 Favored 'Trans proline' 0 C--N 1.355 0.911 0 C-N-CA 122.456 2.104 . . . . 10.0 113.387 -178.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 367' ' ' ALA . . . . . . . . . . . . . . . -57.34 -51.81 67.89 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.215 0.45 . . . . 10.0 112.215 -179.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 16.5 mt -63.18 -37.42 87.14 Favored 'General case' 0 C--N 1.334 -0.081 0 C-N-CA 121.175 -0.21 . . . . 10.0 110.834 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -63.13 -52.81 61.06 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 110.167 -0.308 . . . . 10.0 110.167 178.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.66 -35.98 79.53 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.219 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 33.2 tp -66.17 -45.05 82.28 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.84 -0.618 . . . . 10.0 110.305 179.09 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 65.6 mtt180 -67.39 -36.89 82.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.825 0.345 . . . . 10.0 110.363 179.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -63.83 -20.99 66.22 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.182 178.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -98.8 -36.08 4.64 Favored Glycine 0 N--CA 1.443 -0.892 0 N-CA-C 111.406 -0.678 . . . . 10.0 111.406 179.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 20.3 mt -66.34 -40.23 89.7 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.61 0.226 . . . . 10.0 111.61 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 81.2 mt -52.65 -60.29 6.84 Favored Pre-proline 0 CA--C 1.533 0.313 0 N-CA-C 112.934 0.716 . . . . 10.0 112.934 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -60.68 -33.34 93.39 Favored 'Trans proline' 0 C--N 1.355 0.899 0 C-N-CA 122.073 1.849 . . . . 10.0 111.741 179.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 24.9 t -64.92 -43.13 96.29 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 N-CA-C 109.797 -0.446 . . . . 10.0 109.797 178.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 77.9 mt -61.85 -38.57 88.72 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.834 -0.621 . . . . 10.0 109.904 178.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -61.6 -47.95 83.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.564 179.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.92 -32.89 74.58 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.379 -0.373 . . . . 10.0 110.207 179.149 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -71.97 -36.84 69.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.754 179.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -62.27 -47.76 82.93 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 109.865 -0.42 . . . . 10.0 109.865 178.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 59.5 t -60.46 -49.21 85.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.8 -0.636 . . . . 10.0 111.097 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 3.6 p -63.32 -40.79 98.29 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.365 -0.379 . . . . 10.0 111.087 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -63.64 -43.61 96.3 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.611 179.377 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 27.0 mt -61.98 -41.02 97.56 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.05 -0.523 . . . . 10.0 109.744 178.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 14.9 m -64.67 -39.8 94.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.757 -0.656 . . . . 10.0 109.721 179.075 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -65.08 -40.81 95.18 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.251 179.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 9.3 mt -57.6 -44.02 85.11 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 116.081 -0.509 . . . . 10.0 109.949 178.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -63.86 -41.93 97.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.579 -0.737 . . . . 10.0 110.552 179.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -52.75 -47.45 67.42 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.959 -0.564 . . . . 10.0 111.531 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -64.42 -47.69 78.19 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.95 -0.568 . . . . 10.0 111.25 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 7.3 m -66.86 -20.67 65.96 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.296 0.48 . . . . 10.0 112.296 -179.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -86.16 -45.27 11.5 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.432 0.53 . . . . 10.0 112.432 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -94.41 -36.45 11.9 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 114.47 1.285 . . . . 10.0 114.47 -177.733 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 77.2 mt -94.87 -1.3 52.96 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.185 0.517 . . . . 10.0 111.881 -178.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 34.8 t-20 . . . . . 0 C--N 1.322 -0.623 0 CA-C-N 116.101 -0.5 . . . . 10.0 110.307 -179.635 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 2.8 mm? . . . . . 0 N--CA 1.455 -0.2 0 CA-C-O 120.995 0.426 . . . . 10.0 110.554 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -93.66 32.59 1.39 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.493 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 90.4 mt -69.19 -42.06 76.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.998 -0.546 . . . . 10.0 111.108 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 81.7 mt -68.29 -37.92 81.15 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.968 -179.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -63.23 -46.43 86.97 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.83 -0.623 . . . . 10.0 109.579 178.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -65.59 -46.85 77.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.798 -0.637 . . . . 10.0 109.875 179.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -58.3 -40.29 81.61 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.953 -0.567 . . . . 10.0 111.15 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -65.97 -36.54 83.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.076 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 46.0 m -64.22 -36.43 84.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.289 0.566 . . . . 10.0 109.579 178.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 38.4 t -70.03 -32.27 50.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 CA-C-N 115.561 -0.745 . . . . 10.0 109.059 178.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 21.8 m -62.86 -42.27 99.69 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 108.903 -0.777 . . . . 10.0 108.903 178.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 2.9 m -61.12 -31.68 71.38 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.743 -0.662 . . . . 10.0 109.389 178.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 26.3 m -68.71 -42.02 78.26 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.519 -0.764 . . . . 10.0 109.307 178.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -63.75 -42.19 97.88 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.955 -0.566 . . . . 10.0 109.689 178.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 16.7 m -60.01 -41.25 91.71 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.188 178.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 66.6 mmtt -66.59 -30.08 70.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.988 0.423 . . . . 10.0 110.452 179.317 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 87.3 mt -67.85 -41.8 82.37 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.067 -0.716 . . . . 10.0 109.067 178.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 31.6 mtt180 -66.39 -32.8 74.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.748 -0.66 . . . . 10.0 110.3 179.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -61.82 -33.02 73.39 Favored 'General case' 0 C--O 1.227 -0.089 0 CA-C-N 115.819 -0.628 . . . . 10.0 109.832 179.057 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -87.35 -46.81 9.33 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.588 -0.733 . . . . 10.0 110.175 179.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 19.3 mt -42.12 -50.39 4.77 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 113.059 0.762 . . . . 10.0 113.059 -179.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -55.28 -75.12 0.25 Allowed Glycine 0 CA--C 1.517 0.198 0 C-N-CA 120.735 -0.745 . . . . 10.0 112.385 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -52.22 -43.55 52.63 Favored 'Trans proline' 0 C--O 1.235 0.341 0 C-N-CA 123.251 2.634 . . . . 10.0 113.295 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 41.7 t -58.79 -52.27 62.16 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.22 0 O-C-N 123.254 0.346 . . . . 10.0 111.57 -179.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 12.6 m -64.54 -36.56 84.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.878 0.37 . . . . 10.0 110.747 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -59.71 -50.43 73.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.495 179.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -76.12 -24.04 54.91 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.871 -0.331 . . . . 10.0 110.937 179.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -66.69 -42.6 86.21 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.848 -0.797 . . . . 10.0 108.848 178.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 32.9 m0 -65.31 -39.27 92.28 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.4 -0.593 . . . . 10.0 109.4 178.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -66.13 -39.9 90.22 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.171 -0.678 . . . . 10.0 109.171 178.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.36 -41.49 98.83 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 108.738 -0.838 . . . . 10.0 108.738 177.481 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 27.7 mt -58.84 -39.06 80.13 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 115.657 -0.702 . . . . 10.0 110.272 179.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -61.88 -42.05 98.6 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.128 -0.487 . . . . 10.0 109.931 178.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 36.5 mttp -67.35 -43.49 81.35 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.523 178.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -62.85 -51.19 67.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.692 -0.686 . . . . 10.0 110.695 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 9.0 p -59.33 -48.92 79.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.459 -0.337 . . . . 10.0 110.829 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -61.75 -44.04 97.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.465 -0.334 . . . . 10.0 110.773 179.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -60.83 -47.32 91.79 Favored Glycine 0 N--CA 1.446 -0.66 0 N-CA-C 110.527 -1.029 . . . . 10.0 110.527 178.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 90.9 mt -62.21 -39.14 91.77 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 109.778 -0.453 . . . . 10.0 109.778 178.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 60.6 mtt180 -64.56 -36.75 85.23 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 116.491 -0.322 . . . . 10.0 111.021 179.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -63.0 -30.64 71.76 Favored 'General case' 0 N--CA 1.456 -0.131 0 CA-C-O 121.192 0.52 . . . . 10.0 110.1 179.095 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -85.35 -39.76 17.27 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.01 -0.737 . . . . 10.0 109.01 178.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 85.7 mmm -63.51 -37.76 88.53 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 115.566 -0.743 . . . . 10.0 112.05 -179.277 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 5.5 p -62.45 -46.3 89.12 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.24 0.543 . . . . 10.0 109.763 179.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -70.1 -37.73 75.47 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.629 -0.714 . . . . 10.0 110.658 178.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -67.95 -53.4 26.56 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.921 -0.581 . . . . 10.0 111.98 -179.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 93.5 mt -62.77 -52.51 62.93 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.741 0.645 . . . . 10.0 112.741 -178.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -59.84 -46.08 90.41 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-O 120.661 0.267 . . . . 10.0 111.068 -179.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 447' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -72.44 -24.84 61.27 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 120.897 -0.321 . . . . 10.0 111.069 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -65.29 -38.59 82.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 109.206 -0.665 . . . . 10.0 109.206 178.485 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 74.2 mttt -66.35 -32.71 74.28 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.899 -0.591 . . . . 10.0 109.598 178.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -90.35 6.62 42.37 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.793 -0.639 . . . . 10.0 111.629 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 37.9 mttp -125.82 -41.78 1.95 Allowed 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 111.97 0.359 . . . . 10.0 111.97 179.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 69.6 t -69.35 -39.28 78.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.388 -0.369 . . . . 10.0 110.347 179.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -58.09 -57.55 25.17 Favored Pre-proline 0 CA--C 1.542 0.646 0 CA-C-N 116.619 -0.264 . . . . 10.0 111.329 179.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -65.34 -25.47 56.63 Favored 'Trans proline' 0 C--N 1.357 1.021 0 C-N-CA 121.682 1.588 . . . . 10.0 111.623 178.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -71.87 -43.48 65.38 Favored 'General case' 0 C--O 1.226 -0.184 0 N-CA-C 109.141 -0.688 . . . . 10.0 109.141 178.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 37.4 mt -66.49 -37.15 84.45 Favored 'General case' 0 C--O 1.223 -0.32 0 N-CA-C 109.128 -0.693 . . . . 10.0 109.128 178.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -64.46 -48.75 74.09 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.823 -0.626 . . . . 10.0 109.659 178.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 458' ' ' ASP . . . . . 0.425 ' CG ' ' HZ2' ' D' ' 462' ' ' LYS . 26.4 t70 -62.29 -41.17 98.27 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.028 178.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -65.22 -44.66 87.59 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.936 178.742 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -62.93 -35.6 80.66 Favored 'General case' 0 C--O 1.224 -0.259 0 CA-C-N 116.386 -0.37 . . . . 10.0 110.386 179.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 70.8 mttt -64.67 -37.81 88.86 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.423 -0.584 . . . . 10.0 109.423 178.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 462' ' ' LYS . . . . . 0.425 ' HZ2' ' CG ' ' D' ' 458' ' ' ASP . 7.9 mtmm -75.04 -38.54 61.39 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.843 -0.617 . . . . 10.0 109.656 178.605 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 37.3 m0 -65.58 -41.9 92.37 Favored 'General case' 0 C--O 1.222 -0.354 0 N-CA-C 109.399 -0.593 . . . . 10.0 109.399 178.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -63.82 -44.44 93.24 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.811 -0.811 . . . . 10.0 108.811 178.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 465' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.61 -55.37 34.86 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.355 -0.839 . . . . 10.0 109.436 178.446 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -62.75 -37.83 88.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.453 -0.794 . . . . 10.0 111.418 -179.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 53.2 ttm -61.06 -46.04 92.3 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 109.565 -0.531 . . . . 10.0 109.565 179.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -67.35 -34.46 77.35 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.144 -0.687 . . . . 10.0 109.144 178.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 469' ' ' LEU . . . . . . . . . . . . . 84.4 mt -66.14 -28.2 68.61 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 115.75 -0.659 . . . . 10.0 110.234 178.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -66.39 -29.62 69.83 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 108.425 -0.954 . . . . 10.0 108.425 177.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 68.8 mtt180 -85.05 -17.74 36.52 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.53 -0.759 . . . . 10.0 110.152 179.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -96.06 -14.4 22.95 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.778 -0.646 . . . . 10.0 111.009 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 473' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -124.5 -64.62 1.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.359 -0.382 . . . . 10.0 111.768 -179.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 25.4 t -58.98 -41.7 83.98 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.328 0 N-CA-C 111.834 0.309 . . . . 10.0 111.834 -178.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -59.16 -59.31 14.25 Favored Pre-proline 0 CA--C 1.541 0.618 0 N-CA-C 112.89 0.7 . . . . 10.0 112.89 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -62.39 -37.17 62.27 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 121.431 1.42 . . . . 10.0 111.028 178.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 30.9 mt -65.86 -30.22 70.8 Favored 'General case' 0 C--O 1.225 -0.203 0 CA-C-O 120.793 0.33 . . . . 10.0 110.307 179.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 6.8 ttt-85 -61.78 -37.33 83.93 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.072 -0.714 . . . . 10.0 109.072 178.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -75.44 -39.68 58.55 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.741 -0.663 . . . . 10.0 109.551 178.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.0 -43.73 98.46 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 109.18 -0.674 . . . . 10.0 109.18 178.61 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 96.2 mt -72.23 -27.52 62.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.417 -0.81 . . . . 10.0 110.537 179.023 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -67.98 -46.67 70.68 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 108.789 -0.819 . . . . 10.0 108.789 178.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.34 -37.85 86.29 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.854 -0.795 . . . . 10.0 108.854 177.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -63.56 -39.59 97.79 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 110.422 -1.071 . . . . 10.0 110.422 178.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -68.41 -41.66 80.12 Favored 'General case' 0 C--O 1.223 -0.321 0 N-CA-C 109.416 -0.587 . . . . 10.0 109.416 178.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 75.3 mtt180 -60.64 -42.78 97.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.294 -0.412 . . . . 10.0 110.032 178.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -67.49 -44.55 78.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.939 -0.573 . . . . 10.0 109.828 178.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 59.2 tttt -60.31 -42.06 94.77 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.539 -0.541 . . . . 10.0 109.539 178.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 47.8 mt -62.44 -35.18 78.47 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.8 -0.636 . . . . 10.0 109.701 178.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 50.8 t60 -69.98 -42.17 73.48 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 108.892 -0.781 . . . . 10.0 108.892 178.126 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -59.11 -42.56 90.81 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 108.594 -0.891 . . . . 10.0 108.594 178.275 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 85.0 mt -70.59 -41.01 72.89 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.368 -0.833 . . . . 10.0 110.611 179.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 493' ' ' GLN . . . . . 0.465 ' C ' ' H ' ' D' ' 495' ' ' LYS . 28.1 mt-30 -56.99 -49.17 76.59 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-O 120.637 0.256 . . . . 10.0 110.998 179.478 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -76.61 19.76 0.26 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.264 0.554 . . . . 10.0 111.484 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 495' ' ' LYS . . . . . 0.465 ' H ' ' C ' ' D' ' 493' ' ' GLN . 37.5 mttp -132.27 -49.9 0.93 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.601 -0.727 . . . . 10.0 109.612 178.258 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 42.1 mt -63.58 -28.44 69.93 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.288 -0.414 . . . . 10.0 111.225 179.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 497' ' ' SER . . . . . . . . . . . . . 37.3 m -76.66 -61.05 0.79 Allowed Pre-proline 0 CA--C 1.539 0.52 0 C-N-CA 121.015 -0.274 . . . . 10.0 111.713 178.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 498' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -65.21 -50.31 2.12 Favored 'Trans proline' 0 C--N 1.356 0.953 0 C-N-CA 122.082 1.854 . . . . 10.0 111.87 179.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 499' ' ' LEU . . . . . . . . . . . . . 74.3 mt -70.56 -29.32 65.74 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 116.684 -0.234 . . . . 10.0 110.494 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -62.52 -49.16 76.26 Favored Glycine 0 N--CA 1.448 -0.564 0 N-CA-C 110.723 -0.951 . . . . 10.0 110.723 179.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -71.08 -28.98 64.73 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.901 -0.407 . . . . 10.0 109.901 178.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 502' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -68.36 -46.49 69.96 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.113 -0.699 . . . . 10.0 109.113 178.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 95.3 mmm -63.44 -36.99 85.58 Favored 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 109.059 -0.719 . . . . 10.0 109.059 178.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -63.43 -44.15 95.4 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.09 -0.707 . . . . 10.0 109.09 177.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -62.53 -41.69 99.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.55 -0.75 . . . . 10.0 109.972 179.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 506' ' ' ARG . . . . . . . . . . . . . 80.0 mtt180 -62.47 -47.58 83.38 Favored 'General case' 0 CA--C 1.522 -0.111 0 N-CA-C 108.416 -0.957 . . . . 10.0 108.416 178.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -57.95 -43.49 86.44 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.333 -0.849 . . . . 10.0 110.296 179.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 508' ' ' ARG . . . . . . . . . . . . . 37.6 mtt180 -61.7 -41.74 98.0 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.918 -0.401 . . . . 10.0 109.918 178.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -65.57 -35.87 82.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.77 179.476 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 71.1 m-70 -75.55 -43.82 46.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.319 178.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 41.7 t -63.85 -43.28 97.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.178 179.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -65.3 -32.52 74.22 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.732 -0.47 . . . . 10.0 109.732 179.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -66.02 -44.94 83.26 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 108.523 -0.917 . . . . 10.0 108.523 177.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 514' ' ' LEU . . . . . . . . . . . . . 89.9 mt -59.15 -28.62 66.75 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.914 -0.584 . . . . 10.0 110.912 179.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 515' ' ' ARG . . . . . . . . . . . . . 76.6 mtt180 -65.25 -30.4 71.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.042 0.449 . . . . 10.0 110.556 179.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 1.2 m -105.15 -7.26 19.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.294 0.568 . . . . 10.0 110.693 -179.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 23.6 m170 -100.74 -59.31 1.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.953 -0.567 . . . . 10.0 111.382 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 81.7 mt -77.43 -51.48 10.71 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.708 0.633 . . . . 10.0 112.708 -178.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 519' ' ' ALA . . . . . . . . . . . . . . . -48.31 -59.39 6.08 Favored Pre-proline 0 CA--C 1.538 0.509 0 N-CA-C 113.789 1.033 . . . . 10.0 113.789 -178.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 520' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -64.68 -44.7 10.18 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 121.788 1.659 . . . . 10.0 111.882 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -61.31 -42.65 99.01 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 112.15 0.426 . . . . 10.0 112.15 -179.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 24.7 p -65.35 -30.22 71.03 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.895 0.379 . . . . 10.0 110.837 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -74.83 -38.16 62.1 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.435 -0.58 . . . . 10.0 109.435 178.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -67.91 -33.18 74.21 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 107.798 -1.186 . . . . 10.0 107.798 176.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 7.8 mt -66.17 -34.91 79.11 Favored 'General case' 0 C--O 1.217 -0.615 0 CA-C-N 114.988 -1.006 . . . . 10.0 108.806 177.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 526' ' ' ARG . . . . . . . . . . . . . 58.5 mtt180 -63.35 -34.57 77.99 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 109.48 -0.563 . . . . 10.0 109.48 178.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -67.18 -40.22 86.53 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 108.34 -0.985 . . . . 10.0 108.34 178.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 528' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -67.83 -39.84 83.84 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.733 -0.84 . . . . 10.0 108.733 178.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 97.5 mt -61.93 -39.31 91.6 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.895 -0.593 . . . . 10.0 109.66 178.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -65.24 -37.49 87.43 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.663 -0.699 . . . . 10.0 109.893 178.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -71.1 -40.32 71.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.986 -0.552 . . . . 10.0 109.567 178.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -64.49 -48.94 73.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.807 -0.633 . . . . 10.0 109.453 178.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 79.7 mt -64.41 -28.23 69.54 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.057 179.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -64.66 -48.57 74.29 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 108.423 -0.954 . . . . 10.0 108.423 178.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -68.11 -37.29 80.99 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.674 -0.694 . . . . 10.0 109.723 178.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 93.1 mt -66.98 -26.33 66.76 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.849 -0.614 . . . . 10.0 110.696 179.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -83.1 -41.34 18.69 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.14 -0.689 . . . . 10.0 109.14 178.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -62.43 -51.64 66.72 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 109.199 -0.667 . . . . 10.0 109.199 178.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -71.53 -30.31 65.77 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.574 179.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -65.12 -51.74 47.63 Favored Glycine 0 N--CA 1.447 -0.624 0 CA-C-N 115.88 -0.6 . . . . 10.0 111.642 179.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -62.28 -37.35 94.43 Favored Glycine 0 N--CA 1.448 -0.522 0 N-CA-C 111.049 -0.82 . . . . 10.0 111.049 179.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -67.57 -51.04 55.34 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.945 -0.391 . . . . 10.0 109.945 178.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 56.3 mtt180 -61.69 -32.2 72.38 Favored 'General case' 0 C--O 1.223 -0.303 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.944 179.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 27.0 mt -62.9 -41.41 99.42 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.247 -0.649 . . . . 10.0 109.247 178.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -71.86 -41.69 67.79 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.819 -0.628 . . . . 10.0 109.519 178.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -62.8 -48.88 77.19 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.878 179.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -67.61 -36.27 80.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.326 -0.397 . . . . 10.0 111.004 179.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.17 -44.59 79.33 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 109.248 -0.649 . . . . 10.0 109.248 178.48 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -61.49 -45.5 93.97 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 109.137 -0.69 . . . . 10.0 109.137 178.463 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.43 -30.18 71.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.71 -0.677 . . . . 10.0 110.662 179.133 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -65.9 -42.9 89.63 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.687 -0.486 . . . . 10.0 109.687 178.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.6 -43.33 97.23 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.174 -0.676 . . . . 10.0 109.174 178.273 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -64.74 -41.33 96.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.416 -0.811 . . . . 10.0 109.911 179.202 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 62.6 t60 -64.12 -46.55 83.66 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.059 179.05 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 23.2 tp -61.85 -43.25 99.22 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.368 -0.378 . . . . 10.0 111.172 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 3.7 p -66.48 -40.01 89.07 Favored 'General case' 0 C--O 1.225 -0.202 0 C-N-CA 121.131 -0.228 . . . . 10.0 110.664 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 33.2 m -69.58 -33.16 72.33 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.168 0.508 . . . . 10.0 110.279 179.145 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 14.2 mt -72.07 -50.57 27.21 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.923 -0.581 . . . . 10.0 110.394 178.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 9.0 p -63.39 -31.19 72.27 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.87 0.367 . . . . 10.0 110.628 179.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -56.62 -32.28 65.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.293 -0.867 . . . . 10.0 110.746 178.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 51.9 mttp -109.29 -23.22 11.69 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 116.236 -0.438 . . . . 10.0 111.438 179.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -59.06 -48.58 81.09 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-O 120.725 0.298 . . . . 10.0 111.143 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -58.63 -58.33 20.03 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.009 -0.541 . . . . 10.0 111.523 179.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -59.59 -37.59 87.46 Favored 'Trans proline' 0 C--N 1.359 1.082 0 C-N-CA 122.234 1.956 . . . . 10.0 111.868 178.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -62.46 -49.52 75.11 Favored 'General case' 0 CA--C 1.514 -0.431 0 N-CA-C 110.172 -0.307 . . . . 10.0 110.172 179.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 22.5 mt -58.29 -48.28 81.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.203 179.025 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -61.35 -49.86 75.24 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.995 -0.548 . . . . 10.0 111.755 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -62.96 -42.77 99.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.854 0.359 . . . . 10.0 110.861 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 37.5 mt -60.87 -44.36 97.15 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 109.667 -0.494 . . . . 10.0 109.667 179.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 75.7 mtt180 -63.43 -43.1 98.42 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.945 0.402 . . . . 10.0 110.142 178.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -63.32 -25.68 68.41 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.588 -0.733 . . . . 10.0 111.368 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -92.82 -36.77 5.96 Favored Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 111.17 -0.772 . . . . 10.0 111.17 179.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 21.2 mt -64.27 -42.39 96.47 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.167 0.432 . . . . 10.0 112.167 -179.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 61.8 mt -53.34 -60.67 6.39 Favored Pre-proline 0 CA--C 1.535 0.389 0 N-CA-C 112.803 0.668 . . . . 10.0 112.803 -179.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -65.07 -39.79 22.65 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 121.917 1.745 . . . . 10.0 111.817 179.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 7.7 t -60.9 -41.26 88.17 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-O 120.843 0.354 . . . . 10.0 110.83 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 20.0 mt -64.5 -34.99 79.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.123 178.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -66.93 -40.7 87.67 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 108.789 -0.819 . . . . 10.0 108.789 178.17 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 2.7 m -65.51 -38.4 89.57 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 108.745 -0.835 . . . . 10.0 108.745 178.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 2.3 m-30 -62.6 -41.32 98.9 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.678 -0.692 . . . . 10.0 110.183 178.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -63.26 -41.39 99.04 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.106 -0.701 . . . . 10.0 109.106 178.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 53.1 t -61.34 -48.52 88.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.612 -0.722 . . . . 10.0 110.473 179.139 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 1.2 p -66.79 -40.25 88.08 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.123 -0.49 . . . . 10.0 111.375 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -62.79 -48.28 79.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.017 179.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 70.5 mt -60.0 -50.02 75.39 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.891 -0.595 . . . . 10.0 111.424 -179.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 7.5 p -62.96 -31.73 72.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.698 0.285 . . . . 10.0 111.4 -179.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -75.69 -54.26 7.24 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.712 0.292 . . . . 10.0 110.413 178.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 94.4 mt -56.79 -45.33 82.25 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.004 -0.544 . . . . 10.0 112.087 -179.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -58.74 -43.78 90.35 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.512 -0.313 . . . . 10.0 111.301 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -74.82 -35.26 62.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.494 -0.321 . . . . 10.0 111.415 -179.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -61.07 -43.4 98.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.037 0.446 . . . . 10.0 109.804 178.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 4.8 m -71.76 -10.0 59.12 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 115.721 -0.672 . . . . 10.0 111.231 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -88.76 -46.25 9.13 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.106 0.479 . . . . 10.0 109.907 178.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 11.1 mptt -75.72 -40.03 56.3 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.854 -0.612 . . . . 10.0 111.848 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 82.3 mt -93.11 33.39 1.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.119 0.485 . . . . 10.0 110.557 179.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 . . . . . 0 C--N 1.325 -0.468 0 CA-C-N 115.921 -0.582 . . . . 10.0 111.095 -179.746 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 4.2 m . . . . . 0 CA--C 1.53 0.203 0 CA-C-O 121.135 0.493 . . . . 10.0 110.792 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.87 121.89 39.08 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.104 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -97.82 132.64 43.24 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.386 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -121.28 114.67 21.7 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.412 -0.358 . . . . 10.0 110.089 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 52.3 mttm -81.62 107.82 14.68 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.444 -0.343 . . . . 10.0 110.168 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 8.6 mt -116.42 126.95 54.15 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.154 -0.475 . . . . 10.0 111.132 -178.321 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 88.6 t -107.88 131.44 58.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.725 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 11.8 t -90.85 120.05 39.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 108.84 -0.8 . . . . 10.0 108.84 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 13.9 m -116.52 144.64 23.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 120.87 0.367 . . . . 10.0 111.688 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 154.9 167.8 17.2 Favored Glycine 0 N--CA 1.447 -0.597 0 N-CA-C 111.456 -0.657 . . . . 10.0 111.456 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.17 171.36 11.14 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 121.131 0.491 . . . . 10.0 111.437 -179.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -84.33 123.79 30.56 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.115 0.484 . . . . 10.0 111.238 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 116.65 -9.69 16.58 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.683 -0.77 . . . . 10.0 112.596 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 17.2 m -78.73 -9.61 12.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.956 0.408 . . . . 10.0 111.105 179.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 97.38 32.97 6.11 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 121.054 -0.593 . . . . 10.0 111.682 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 6.9 mmmm -52.48 -57.83 8.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.094 0.473 . . . . 10.0 111.313 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.43 -28.17 41.71 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.724 -0.671 . . . . 10.0 111.474 -179.083 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.12 -47.67 82.58 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.45 -0.341 . . . . 10.0 111.281 -179.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 79.7 mt -65.03 -39.15 92.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.185 0.517 . . . . 10.0 110.75 179.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 21.5 m -65.08 -51.56 60.69 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.44 -36.22 71.68 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 CA-C-N 116.603 -0.271 . . . . 10.0 111.485 -179.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -66.62 -24.89 66.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.985 0.421 . . . . 10.0 110.806 179.514 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 18.2 tp -91.28 -35.3 14.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.458 -0.337 . . . . 10.0 110.964 179.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 47.5 mm -81.49 -61.45 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 112.283 0.475 . . . . 10.0 112.283 -179.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -91.03 -11.37 38.99 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.342 -0.39 . . . . 10.0 111.977 -178.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 71.1 19.98 5.34 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 114.187 1.18 . . . . 10.0 114.187 178.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -131.35 156.86 44.79 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.483 -0.487 . . . . 10.0 111.684 179.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -95.17 130.79 41.75 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.259 -179.125 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 2.0 m -91.89 116.33 32.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.191 -0.458 . . . . 10.0 110.521 179.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -94.73 18.21 12.08 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.353 0.597 . . . . 10.0 109.814 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -126.96 130.08 49.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.718 -0.674 . . . . 10.0 110.692 -179.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . 0.408 ' CD1' " C5'" ' B' ' 201' ' ' GSP . 63.9 t80 -59.84 142.25 53.81 Favored 'General case' 0 C--O 1.237 0.402 0 O-C-N 123.368 0.418 . . . . 10.0 111.342 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -146.21 105.14 4.1 Favored Pre-proline 0 C--O 1.236 0.383 0 CA-C-N 115.887 -0.597 . . . . 10.0 111.4 -179.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -71.1 79.2 1.39 Allowed 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.914 2.409 . . . . 10.0 111.32 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.3 111.23 5.08 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.56 -0.746 . . . . 10.0 111.177 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 45.8 mm -78.14 -49.19 21.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.546 -0.538 . . . . 10.0 109.546 179.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -174.08 101.67 0.1 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.811 -0.631 . . . . 10.0 110.406 179.32 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -133.12 136.27 45.71 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.419 -0.585 . . . . 10.0 109.419 179.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 2.2 m -105.28 146.81 28.82 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.815 0.341 . . . . 10.0 111.489 -178.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -134.04 123.04 23.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.118 -179.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -101.73 128.24 48.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.172 -0.467 . . . . 10.0 111.399 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 47.6 tttp -142.2 122.75 14.13 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.141 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -100.24 125.6 46.44 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.616 -0.513 . . . . 10.0 109.616 179.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -141.14 166.22 18.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 120.936 0.398 . . . . 10.0 111.211 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 15.8 t -96.99 107.47 19.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.779 -0.646 . . . . 10.0 109.707 179.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 37.5 mt -117.89 126.87 75.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.2 -0.455 . . . . 10.0 110.083 -179.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 63.77 14.23 8.09 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 115.909 -0.587 . . . . 10.0 111.988 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 98.88 3.09 57.11 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.905 -0.664 . . . . 10.0 112.435 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -117.19 143.34 45.96 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.897 0.349 . . . . 10.0 111.094 -179.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -85.2 105.86 16.21 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 109.054 -0.721 . . . . 10.0 109.054 178.431 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 3.3 m -116.88 147.46 42.17 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.315 -0.402 . . . . 10.0 111.513 -178.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 18.0 tp -105.6 116.34 31.77 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.344 -0.613 . . . . 10.0 109.344 178.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 53.2 mt -88.69 122.47 32.15 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.323 -0.399 . . . . 10.0 110.928 -179.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -99.69 88.95 3.96 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.408 -0.96 . . . . 10.0 108.408 178.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 mt -86.41 137.93 19.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.058 0.456 . . . . 10.0 111.331 -178.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 66.2 tp -137.04 111.16 8.34 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.879 -0.6 . . . . 10.0 110.572 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -84.27 124.8 31.61 Favored 'General case' 0 CA--C 1.519 -0.227 0 N-CA-C 109.501 -0.555 . . . . 10.0 109.501 179.181 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 40.6 p -102.1 147.69 26.3 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.248 -179.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.18 104.36 1.79 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.214 0.53 . . . . 10.0 111.029 179.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -82.86 35.29 2.72 Favored Glycine 0 N--CA 1.454 -0.13 0 C-N-CA 121.033 -0.604 . . . . 10.0 112.446 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -99.76 10.11 41.89 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.08 0.467 . . . . 10.0 110.935 -179.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.515 ' CG ' ' H ' ' B' ' 63' ' ' GLU . 3.4 tp10 65.1 -166.81 0.22 Allowed 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.524 -0.762 . . . . 10.0 112.595 178.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . 0.515 ' H ' ' CG ' ' B' ' 62' ' ' GLU . 0.5 OUTLIER 77.02 -10.14 1.4 Allowed 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.782 0.833 . . . . 10.0 112.193 -179.611 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 21.4 m-30 -93.26 109.16 20.69 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.914 0.388 . . . . 10.0 111.825 -179.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 2.6 p -108.34 -65.21 1.14 Allowed 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.018 -0.734 . . . . 10.0 109.018 178.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.63 -34.65 60.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.58 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 26.5 ttt -62.43 -39.23 92.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.27 -0.423 . . . . 10.0 111.11 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 7.3 ttp180 -69.74 -34.66 74.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.695 -0.684 . . . . 10.0 111.054 -179.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -57.61 -37.68 73.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.423 -0.808 . . . . 10.0 112.255 -179.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -58.19 -66.17 0.53 Allowed 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.88 0.696 . . . . 10.0 112.88 -178.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -67.12 -20.49 65.78 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.847 0.684 . . . . 10.0 112.847 -178.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 22.9 mtt -67.87 -36.8 80.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.766 0.317 . . . . 10.0 110.734 179.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 6.6 mtm180 -76.04 -37.4 58.39 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.974 0.416 . . . . 10.0 110.776 179.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 4.3 m -71.8 -36.32 70.25 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.749 -0.659 . . . . 10.0 111.587 -179.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.5 145.26 48.44 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.811 -0.709 . . . . 10.0 112.358 -179.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -103.0 -39.06 7.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.907 0.384 . . . . 10.0 110.221 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -121.48 139.82 13.41 Favored Glycine 0 N--CA 1.447 -0.63 0 N-CA-C 111.04 -0.824 . . . . 10.0 111.04 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -125.67 128.92 48.57 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.008 0.433 . . . . 10.0 111.126 -179.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 9.8 tp -109.43 114.33 27.89 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.684 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 10.8 m -84.28 99.51 10.63 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 120.976 0.417 . . . . 10.0 110.113 179.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 49.0 t -98.08 128.83 49.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.599 -0.728 . . . . 10.0 110.008 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 30.6 p90 -141.9 156.34 45.5 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.548 179.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -98.67 128.87 45.09 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.076 -0.713 . . . . 10.0 109.076 178.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 26.0 pt -66.53 -12.09 14.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 120.767 0.318 . . . . 10.0 111.349 -179.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -95.9 9.55 40.22 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.822 -0.626 . . . . 10.0 110.813 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -140.45 106.65 5.24 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.4 179.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.69 -33.13 75.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 10.0 112.29 -179.285 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 26.0 tptp -54.81 -47.39 74.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.021 0.439 . . . . 10.0 110.839 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 19.9 m -63.57 -25.43 68.24 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.988 -0.551 . . . . 10.0 112.348 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -75.51 -38.52 59.38 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.154 0.502 . . . . 10.0 110.569 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -75.12 -32.35 61.37 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.425 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.53 -28.28 69.21 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.764 -0.653 . . . . 10.0 111.378 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 41.4 mm -54.33 -43.33 61.71 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.174 179.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 69.5 t60 -59.05 -52.19 66.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.044 -0.526 . . . . 10.0 111.259 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 72.8 m-70 -64.76 -33.39 75.86 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.042 -0.527 . . . . 10.0 111.604 -178.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -68.03 -47.84 67.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.598 -0.274 . . . . 10.0 110.297 178.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 17.3 ttt180 -58.55 -47.96 82.49 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.594 179.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -62.34 -39.2 92.31 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.783 -0.644 . . . . 10.0 111.155 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -66.37 -50.82 62.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.13 -0.486 . . . . 10.0 111.151 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 73.6 mt -57.93 -39.28 70.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-O 120.773 0.321 . . . . 10.0 110.788 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 22.9 mtmt -63.43 -31.18 72.27 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.121 0.486 . . . . 10.0 111.496 179.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? -80.18 -35.59 36.21 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.33 -0.395 . . . . 10.0 110.501 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 57.6 t -68.45 -57.77 8.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.306 -0.407 . . . . 10.0 111.8 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 30.9 mtpp -81.37 -12.61 58.93 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 111.865 0.32 . . . . 10.0 111.865 -178.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 33.6 t0 58.59 56.75 4.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.244 0.545 . . . . 10.0 112.183 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 8.1 t -154.14 128.77 9.3 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.745 -0.661 . . . . 10.0 109.696 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -78.02 -43.78 28.46 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.316 -0.402 . . . . 10.0 111.156 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -91.35 105.48 17.81 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.232 0.539 . . . . 10.0 111.548 -179.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 95.5 t -133.76 129.71 20.41 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 115.473 -0.785 . . . . 10.0 109.657 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -59.04 106.71 0.31 Allowed 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.908 2.405 . . . . 10.0 112.443 179.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 65.1 mtm -132.26 150.41 52.16 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.357 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 98.5 t -129.77 132.7 65.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 109.53 -0.544 . . . . 10.0 109.53 179.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 15.9 tp -82.72 114.62 21.19 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.056 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 97.5 t -105.26 107.35 22.4 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 N-CA-C 112.606 0.595 . . . . 10.0 112.606 -178.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -92.97 105.3 3.29 Favored Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 108.834 -1.707 . . . . 10.0 108.834 177.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 34.3 t-20 -99.36 154.39 18.23 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 112.534 0.568 . . . . 10.0 112.534 -177.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . 0.515 ' NZ ' ' N7 ' ' B' ' 201' ' ' GSP . 4.9 mtmm 74.5 38.1 0.52 Allowed 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.15 -0.932 . . . . 10.0 112.99 179.234 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 56.6 m -75.34 -9.48 58.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.913 -0.585 . . . . 10.0 112.257 179.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -86.67 -10.72 53.16 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.968 0.414 . . . . 10.0 111.258 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 62.6 mt -89.88 137.43 28.3 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 116.233 -0.44 . . . . 10.0 110.345 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -72.72 163.88 37.18 Favored 'Trans proline' 0 C--O 1.235 0.348 0 C-N-CA 122.876 2.384 . . . . 10.0 112.802 -179.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 1.8 m 55.56 71.0 0.58 Allowed 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.85 -0.614 . . . . 10.0 112.459 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -88.75 137.33 32.42 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.822 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.93 -51.58 13.41 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.198 -0.456 . . . . 10.0 110.921 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 76.5 t -86.46 112.96 23.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.121 -0.696 . . . . 10.0 109.121 178.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -74.45 149.89 40.18 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.067 -0.515 . . . . 10.0 109.924 -179.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.39 -28.33 66.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.107 0.479 . . . . 10.0 109.88 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 15.0 mttp -59.2 -58.63 7.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.311 -0.859 . . . . 10.0 111.133 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -68.28 -26.93 65.9 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 112.452 0.538 . . . . 10.0 112.452 -179.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.42 -47.08 83.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.03 0.443 . . . . 10.0 110.313 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -79.59 -24.93 41.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.722 179.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -64.58 -42.57 95.54 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.707 -0.678 . . . . 10.0 110.629 179.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 17.1 tp -69.39 -32.41 71.41 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.616 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -71.29 -19.92 62.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.95 -0.568 . . . . 10.0 112.061 -179.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 34.5 mtm105 -56.79 -60.96 2.79 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.228 0.455 . . . . 10.0 112.228 -179.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 2.6 m -68.37 -18.84 64.57 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.804 -0.635 . . . . 10.0 112.525 -178.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 17.2 m-30 -82.22 -38.91 23.85 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.948 -0.301 . . . . 10.0 110.813 179.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 93.23 11.13 58.87 Favored Glycine 0 C--N 1.332 0.318 0 C-N-CA 121.038 -0.601 . . . . 10.0 112.379 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 44.3 pt -102.59 156.38 35.35 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-O 120.499 0.19 . . . . 10.0 110.82 -179.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -88.44 158.0 6.63 Favored 'Trans proline' 0 N--CA 1.457 -0.653 0 C-N-CA 122.755 2.303 . . . . 10.0 112.274 179.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -133.57 132.75 41.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.849 -0.614 . . . . 10.0 110.184 179.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 3.5 mp -130.59 139.12 52.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.408 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -77.37 136.55 38.44 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.581 -0.896 . . . . 10.0 108.581 178.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -136.83 153.66 50.73 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 113.344 0.868 . . . . 10.0 113.344 -178.201 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 15.7 t -153.65 117.96 4.87 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.807 -1.088 . . . . 10.0 108.287 178.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -79.79 -16.12 56.13 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.003 0.43 . . . . 10.0 110.701 -179.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 72.4 tttt -72.02 -32.73 67.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.833 -0.621 . . . . 10.0 110.658 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 2.0 p -115.95 -10.34 11.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.306 -0.406 . . . . 10.0 110.965 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 3.9 mtt-85 66.87 25.51 9.49 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 115.525 -0.761 . . . . 10.0 111.956 -179.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -75.03 118.63 18.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.298 -0.41 . . . . 10.0 111.55 -179.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 66.81 13.32 61.2 Favored Glycine 0 C--N 1.335 0.474 0 CA-C-N 115.975 -0.557 . . . . 10.0 114.191 178.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 41.8 t -67.9 -56.3 13.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 112.564 0.579 . . . . 10.0 112.564 -178.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.15 -38.41 90.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.654 0.264 . . . . 10.0 110.942 -178.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -63.11 -38.53 91.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.349 -0.387 . . . . 10.0 111.613 -179.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -59.37 -40.23 85.82 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.814 0.34 . . . . 10.0 110.438 179.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -69.3 -38.66 78.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.831 179.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 19.0 m-30 -68.42 -33.3 73.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.886 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 32.5 m -61.88 -37.1 83.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.069 179.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.07 -39.68 93.23 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.448 179.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 3.4 t -68.85 -38.61 78.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.232 179.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 1.7 tpp180 -59.02 -40.46 85.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.681 -0.691 . . . . 10.0 111.068 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -64.02 -36.66 84.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 10.0 111.176 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 69.2 mt -68.22 -40.18 82.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.131 -0.486 . . . . 10.0 109.722 179.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 57.0 mtp180 -66.5 -32.97 74.67 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.337 0.589 . . . . 10.0 110.317 179.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -65.77 -46.47 78.65 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.749 -0.659 . . . . 10.0 110.017 178.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 33.3 t-80 -61.99 -49.12 77.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.846 -0.616 . . . . 10.0 111.819 -179.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -49.54 -48.43 48.33 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 113.029 0.751 . . . . 10.0 113.029 -178.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -71.41 -50.05 35.78 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 113.001 0.741 . . . . 10.0 113.001 -178.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 17.8 mtpp -61.95 -38.33 88.08 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.102 0.408 . . . . 10.0 112.102 -178.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 21.7 ttt -66.42 -26.25 67.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 10.0 111.696 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 67.4 m -65.29 -20.72 66.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.357 -0.383 . . . . 10.0 111.661 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -109.49 11.9 24.73 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.91 0.386 . . . . 10.0 110.102 178.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 173' ' ' ASP . . . . . . . . . . . . . 18.2 t70 66.49 -83.53 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.372 -0.831 . . . . 10.0 112.224 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . 177.88 -113.13 0.4 Allowed Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.569 -0.824 . . . . 10.0 112.665 -179.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 175' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -127.85 -57.75 1.25 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.973 0.416 . . . . 10.0 111.042 -179.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 176' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt 75.73 -46.98 0.57 Allowed 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 114.218 1.192 . . . . 10.0 114.218 179.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 177' ' ' LYS . . . . . . . . . . . . . 5.2 mmpt? -78.85 -8.56 58.93 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.373 0.509 . . . . 10.0 112.373 -179.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 21.3 mtmm 62.79 23.89 14.24 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.256 -0.429 . . . . 10.0 111.921 179.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 179' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -88.41 16.55 6.27 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.31 0.576 . . . . 10.0 111.178 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -132.54 169.28 16.82 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.914 -0.584 . . . . 10.0 109.965 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.53 -170.37 0.2 Allowed 'General case' 0 C--O 1.238 0.486 0 CA-C-N 116.272 -0.422 . . . . 10.0 111.456 -179.417 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 8.5 mtpt -59.85 -72.87 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.078 0.466 . . . . 10.0 110.988 179.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -98.81 -54.53 2.98 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.248 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 184' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? . . . . . 0 C--O 1.236 0.365 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.886 -179.388 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 13.3 m . . . . . 0 C--O 1.237 0.429 0 CA-C-O 121.022 0.439 . . . . 10.0 111.005 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 1.2 m -93.87 125.8 38.7 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.421 -179.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -93.93 134.48 36.27 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 116.403 -0.362 . . . . 10.0 110.109 179.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -123.19 116.95 24.25 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.611 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 58.2 mttm -87.96 106.66 18.27 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.037 -0.529 . . . . 10.0 109.669 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 14.8 mt -111.74 131.57 55.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.96 -0.564 . . . . 10.0 111.527 -178.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 32.4 t -116.78 127.99 74.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.288 -0.415 . . . . 10.0 110.163 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 6.4 t -91.89 113.25 26.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 109.152 -0.685 . . . . 10.0 109.152 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 18.0 m -113.25 151.99 15.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.208 0.528 . . . . 10.0 111.604 -178.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 156.28 178.08 30.08 Favored Glycine 0 N--CA 1.446 -0.648 0 N-CA-C 111.329 -0.708 . . . . 10.0 111.329 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.3 154.26 37.47 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.266 0.555 . . . . 10.0 111.385 -179.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -68.81 111.69 5.04 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.573 -0.739 . . . . 10.0 110.991 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.5 -0.89 14.11 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.481 -0.866 . . . . 10.0 113.812 178.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 33.6 m -76.46 -25.0 16.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.997 0.398 . . . . 10.0 111.74 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 108.3 30.87 3.7 Favored Glycine 0 CA--C 1.52 0.403 0 C-N-CA 120.558 -0.829 . . . . 10.0 113.167 179.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 27.3 mtmt -62.46 -37.04 84.39 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.01 0.433 . . . . 10.0 110.974 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 3.7 m -73.83 -44.3 56.09 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.281 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.24 -48.72 78.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.949 -0.569 . . . . 10.0 111.553 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 60.7 mt -59.27 -47.67 84.5 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.903 0.383 . . . . 10.0 111.134 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 10.1 m -64.16 -45.9 86.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 10.0 111.693 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.23 -32.44 54.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.553 0.216 . . . . 10.0 110.842 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -64.07 -22.3 66.87 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 112.266 0.469 . . . . 10.0 112.266 179.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 22.2 tp -103.18 -34.73 8.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.943 0.402 . . . . 10.0 110.612 179.173 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 41.3 mm -74.99 -62.9 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.096 -0.502 . . . . 10.0 111.929 -179.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -93.91 -17.8 22.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.908 0.385 . . . . 10.0 110.82 -179.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 70.31 41.94 0.98 Allowed 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 114.099 1.148 . . . . 10.0 114.099 177.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 12.4 p80 -150.14 160.27 43.79 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 110.096 -0.335 . . . . 10.0 110.096 178.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -106.21 142.43 35.91 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.742 0.306 . . . . 10.0 111.297 -178.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 2.4 m -119.26 128.52 75.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.307 179.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -88.96 -24.81 22.33 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.27 0.557 . . . . 10.0 110.495 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -72.8 149.77 43.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.873 -0.603 . . . . 10.0 110.561 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 32' ' ' TYR . . . . . 0.502 ' CE1' " C5'" ' C' ' 201' ' ' GSP . 11.7 t80 -97.71 127.23 43.51 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.329 0.492 . . . . 10.0 112.329 -179.484 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -132.31 98.65 16.72 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.08 179.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -53.3 119.36 6.03 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 123.159 2.573 . . . . 10.0 111.956 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 35' ' ' THR . . . . . 0.424 ' OG1' ' O3G' ' C' ' 201' ' ' GSP . 0.2 OUTLIER -95.6 116.72 29.25 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.293 -179.631 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 51.4 mm -75.95 -49.34 26.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 108.48 -0.933 . . . . 10.0 108.48 178.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -176.65 96.61 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 114.926 -1.034 . . . . 10.0 109.892 178.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -116.25 147.01 41.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.014 -0.539 . . . . 10.0 110.124 -179.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 5.3 p -127.05 141.51 51.76 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.775 0.321 . . . . 10.0 111.213 -179.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -133.3 140.33 47.38 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.665 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 2.1 mpp_? -113.74 135.64 53.72 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.817 0.341 . . . . 10.0 110.845 179.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 41.1 tttp -148.75 130.68 15.24 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.207 -0.451 . . . . 10.0 110.433 179.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.84 121.92 38.08 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.121 -0.49 . . . . 10.0 109.863 179.096 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 12.8 m -133.26 162.24 40.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.949 0.404 . . . . 10.0 111.036 -179.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 14.5 t -102.54 100.64 10.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.899 -0.591 . . . . 10.0 109.742 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 51.9 mt -107.02 117.9 53.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.312 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 61.28 24.03 14.19 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.703 -0.681 . . . . 10.0 111.576 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.41 0.71 72.8 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.625 -0.798 . . . . 10.0 112.391 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -104.45 142.92 33.75 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.887 0.375 . . . . 10.0 110.95 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 7.2 m -81.31 100.17 9.04 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.064 -1.088 . . . . 10.0 108.064 178.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 11.5 m -101.41 129.84 47.51 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.205 -0.452 . . . . 10.0 112.116 -178.112 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 62.1 tp -97.99 111.23 23.62 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.256 -1.016 . . . . 10.0 108.256 178.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 16.9 mt -90.52 127.25 36.18 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 112.534 0.568 . . . . 10.0 112.534 -178.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -116.68 84.47 2.14 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 106.895 -1.521 . . . . 10.0 106.895 177.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 10.9 mt -84.88 140.12 16.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.54 -0.755 . . . . 10.0 111.747 -177.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 23.5 tp -132.94 116.23 16.19 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.29 -0.414 . . . . 10.0 111.522 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -100.12 104.67 16.24 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 109.476 -0.564 . . . . 10.0 109.476 178.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 45.9 p -93.47 165.03 12.96 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 116.012 -0.54 . . . . 10.0 111.27 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.84 132.81 47.36 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.573 179.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -112.16 30.38 7.7 Favored Glycine 0 CA--C 1.517 0.177 0 N-CA-C 111.583 -0.607 . . . . 10.0 111.583 179.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -94.15 20.6 7.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.826 0.346 . . . . 10.0 111.113 -179.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 62.04 -170.45 0.17 Allowed 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.601 -0.727 . . . . 10.0 111.799 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 75.53 -38.12 0.35 Allowed 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.49 0.716 . . . . 10.0 111.964 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -74.76 49.29 0.4 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.351 0.5 . . . . 10.0 112.351 -179.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.53 -37.04 82.14 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.727 0.299 . . . . 10.0 110.838 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.66 -43.98 44.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.302 0.572 . . . . 10.0 110.401 179.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 21.2 ttt -65.1 -30.48 71.43 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.787 -0.642 . . . . 10.0 110.913 179.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 68' ' ' ARG . . . . . . . . . . . . . 20.3 ttp180 -66.01 -45.83 80.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.639 -0.71 . . . . 10.0 110.493 179.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -57.51 -41.76 81.44 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.755 -0.657 . . . . 10.0 111.265 -179.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -55.64 -51.24 67.87 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 113.071 0.767 . . . . 10.0 113.071 -179.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 71' ' ' TYR . . . . . . . . . . . . . 10.0 p90 -78.92 -10.96 59.97 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 113.431 0.9 . . . . 10.0 113.431 -178.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 37.4 mtt -71.89 -22.9 61.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.082 0.468 . . . . 10.0 110.761 179.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 15.8 mtt180 -74.93 -43.3 54.97 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.704 -0.68 . . . . 10.0 111.098 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.68 -28.82 51.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.435 -0.348 . . . . 10.0 111.357 179.777 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.08 126.6 31.68 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.979 -0.629 . . . . 10.0 113.188 -179.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -96.44 -50.86 4.58 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.666 -0.494 . . . . 10.0 109.666 179.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -114.1 129.1 8.57 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 110.922 -0.871 . . . . 10.0 110.922 179.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 78' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -107.92 116.59 32.24 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.354 0.597 . . . . 10.0 111.976 -178.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 14.6 tp -88.19 96.81 10.69 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.219 -0.9 . . . . 10.0 109.582 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 58.5 m -78.36 96.19 5.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.116 -0.493 . . . . 10.0 109.936 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 51.1 t -103.89 134.58 44.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.095 -0.502 . . . . 10.0 111.191 -179.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 27.9 p90 -138.43 167.93 20.85 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.008 179.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -105.01 133.51 49.67 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.187 -0.461 . . . . 10.0 110.193 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 84' ' ' ILE . . . . . . . . . . . . . 36.7 pt -69.8 -16.44 20.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.921 0.391 . . . . 10.0 111.465 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -98.47 -0.85 42.65 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.546 179.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -126.72 99.34 5.73 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.634 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 1.5 m -62.12 -30.99 71.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.898 -0.592 . . . . 10.0 111.719 -178.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -57.99 -47.73 82.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.368 -0.378 . . . . 10.0 111.227 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 62.3 p -61.81 -31.03 71.23 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.262 0.467 . . . . 10.0 112.262 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -67.74 -43.02 80.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.214 0.531 . . . . 10.0 110.435 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -80.2 -23.31 41.05 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.068 -0.515 . . . . 10.0 110.875 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.26 -32.03 72.69 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.416 -0.811 . . . . 10.0 110.538 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 49.9 mm -56.87 -38.44 59.15 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-N 115.629 -0.714 . . . . 10.0 111.711 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -60.96 -42.39 98.2 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.31 -0.404 . . . . 10.0 110.473 -179.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -62.66 -39.97 95.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.553 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -69.42 -44.11 72.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.991 -0.549 . . . . 10.0 111.309 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -56.7 -46.7 81.07 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.49 -0.323 . . . . 10.0 111.369 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -61.18 -38.57 86.98 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.984 -0.553 . . . . 10.0 111.685 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -71.15 -45.06 64.29 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.626 -0.43 . . . . 10.0 110.985 179.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 87.4 mt -55.74 -43.53 74.01 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-O 121.094 0.474 . . . . 10.0 109.936 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 3.8 mtmt -62.18 -35.46 78.92 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.357 -0.838 . . . . 10.0 111.063 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 33.1 ttm180 -73.67 -37.81 65.14 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.126 -0.488 . . . . 10.0 111.489 -179.238 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 60.4 t -72.5 -54.15 17.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 112.246 0.461 . . . . 10.0 112.246 -178.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -80.33 -21.08 42.87 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 116.419 -0.355 . . . . 10.0 111.952 -178.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 21.8 t70 59.69 60.54 2.19 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.687 0.756 . . . . 10.0 110.704 -179.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 23.2 t -156.6 140.44 16.16 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.181 -0.918 . . . . 10.0 109.454 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -88.02 -39.3 14.77 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.495 0.664 . . . . 10.0 109.488 179.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -85.4 90.56 7.97 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.478 -0.783 . . . . 10.0 109.763 179.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 41.2 t -118.09 130.91 24.43 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 116.053 -0.522 . . . . 10.0 110.251 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -66.39 97.14 0.36 Allowed 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.831 2.354 . . . . 10.0 111.417 179.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 111' ' ' MET . . . . . . . . . . . . . 72.1 mtm -136.29 143.54 44.25 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.959 -0.564 . . . . 10.0 109.993 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 60.1 t -124.6 141.7 43.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.631 -0.507 . . . . 10.0 109.631 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 18.9 tp -98.79 117.72 33.91 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.214 -0.662 . . . . 10.0 109.214 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 53.5 t -126.24 129.13 72.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.134 0.493 . . . . 10.0 111.63 -178.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -101.22 136.13 12.55 Favored Glycine 0 N--CA 1.448 -0.51 0 N-CA-C 110.074 -1.211 . . . . 10.0 110.074 178.471 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -109.29 165.42 11.64 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 117.229 0.515 . . . . 10.0 110.986 -179.497 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 82.7 mttt 63.1 35.66 12.78 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.726 -0.67 . . . . 10.0 112.643 179.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 118' ' ' CYS . . . . . . . . . . . . . 1.4 m -72.05 -8.21 53.27 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 112.95 0.722 . . . . 10.0 112.95 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -86.72 -14.79 41.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.899 0.38 . . . . 10.0 110.325 179.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 53.8 mt -85.93 129.28 54.88 Favored Pre-proline 0 C--O 1.235 0.335 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.175 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_exo -71.59 165.93 30.99 Favored 'Trans proline' 0 C--O 1.235 0.367 0 C-N-CA 122.902 2.401 . . . . 10.0 112.412 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 6.1 m 66.25 77.17 0.29 Allowed 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.68 -0.691 . . . . 10.0 111.085 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 -106.66 144.13 33.77 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.637 -0.711 . . . . 10.0 111.415 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.56 -37.68 13.68 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.351 -0.386 . . . . 10.0 110.261 179.458 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 25.6 t -96.35 101.61 12.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.057 -0.52 . . . . 10.0 110.482 179.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -78.11 156.17 30.11 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.755 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 3.1 m -55.96 -30.25 61.43 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 112.026 0.38 . . . . 10.0 112.026 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 37.8 mtmm -57.72 -63.61 1.18 Allowed 'General case' 0 N--CA 1.46 0.072 0 CA-C-O 120.85 0.357 . . . . 10.0 111.422 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -66.42 -30.51 70.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.345 -0.389 . . . . 10.0 112.036 -179.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.49 -49.21 69.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.844 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -72.68 -24.34 61.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.527 -0.306 . . . . 10.0 111.266 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -63.9 -38.79 92.37 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.352 0.596 . . . . 10.0 110.368 178.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 42.5 tp -66.8 -42.63 85.62 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.921 -0.581 . . . . 10.0 109.689 179.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -68.02 -33.18 74.12 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 115.572 -0.74 . . . . 10.0 109.842 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 9.3 ttt180 -63.04 -40.03 96.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.504 -0.771 . . . . 10.0 110.097 179.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 18.3 m -73.75 -38.77 64.61 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.914 -0.585 . . . . 10.0 111.078 179.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 5.3 m-30 -74.07 -31.18 62.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.174 -0.467 . . . . 10.0 111.839 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 85.97 30.7 22.49 Favored Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 111.13 -0.788 . . . . 10.0 111.13 -179.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 44.9 pt -120.62 163.23 30.28 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 115.461 -0.37 . . . . 10.0 110.367 -179.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -81.35 153.23 18.29 Favored 'Trans proline' 0 CA--C 1.534 0.508 0 C-N-CA 122.292 1.995 . . . . 10.0 112.914 179.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -130.19 130.7 45.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.009 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 8.3 mt -130.57 131.95 64.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.548 -0.296 . . . . 10.0 110.839 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -96.25 117.44 30.8 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.475 -0.935 . . . . 10.0 108.475 177.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 81.1 p -125.69 -172.79 2.68 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.885 0.698 . . . . 10.0 112.885 -177.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 3.5 t -161.64 122.41 2.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.874 -1.057 . . . . 10.0 108.336 179.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 146' ' ' ALA . . . . . 0.468 ' N ' ' O6 ' ' C' ' 201' ' ' GSP . . . -73.09 -33.99 65.92 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.29 -0.414 . . . . 10.0 110.766 -178.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -63.94 -43.92 94.42 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.42 -0.355 . . . . 10.0 111.432 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 18.8 p -87.98 -8.29 55.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.015 0.436 . . . . 10.0 110.308 179.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 6.4 ttt-85 64.09 20.49 12.21 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.298 -0.865 . . . . 10.0 111.379 -179.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -82.0 125.0 30.28 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.548 -0.751 . . . . 10.0 111.353 -179.189 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 77.52 0.17 71.98 Favored Glycine 0 CA--C 1.52 0.391 0 N-CA-C 114.773 0.669 . . . . 10.0 114.773 178.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 79.0 t -57.0 -45.16 83.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.157 0.503 . . . . 10.0 111.431 -179.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.33 -46.51 69.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.607 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -57.48 -37.79 73.49 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.452 -0.34 . . . . 10.0 111.8 -179.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -57.37 -40.66 78.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.426 . . . . 10.0 111.599 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -87.57 -40.84 13.9 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 111.923 0.342 . . . . 10.0 111.923 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -59.93 -51.31 70.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.495 . . . . 10.0 111.65 -179.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 24.3 m -68.95 -27.65 65.94 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 112.161 0.43 . . . . 10.0 112.161 -178.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 56.1 tp -64.29 -38.47 91.14 Favored 'General case' 0 C--N 1.333 -0.114 0 N-CA-C 109.262 -0.644 . . . . 10.0 109.262 178.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 48.8 t -67.85 -35.71 73.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.226 -0.897 . . . . 10.0 109.574 178.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.06 -35.92 82.32 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.745 -0.662 . . . . 10.0 111.286 179.709 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -63.76 -36.15 82.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.651 0.262 . . . . 10.0 110.659 179.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 54.4 mt -65.42 -43.02 94.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.339 -0.391 . . . . 10.0 110.004 179.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 5.5 mtt85 -67.49 -42.48 82.82 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.04 0.448 . . . . 10.0 109.843 178.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 27.1 ttmt -61.6 -36.68 81.39 Favored 'General case' 0 C--O 1.222 -0.343 0 CA-C-N 115.816 -0.629 . . . . 10.0 109.584 179.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 14.8 t-80 -59.81 -45.81 91.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 10.0 109.957 179.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -65.56 -38.29 89.14 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.275 179.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -64.95 -53.04 52.61 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.107 178.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 20.8 mtpt -61.58 -35.94 79.23 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.569 -0.741 . . . . 10.0 111.657 -179.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 62.2 mmm -71.08 -15.11 62.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.311 -0.404 . . . . 10.0 112.041 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 36.0 m -71.12 -20.98 62.26 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.259 0.552 . . . . 10.0 110.055 179.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 38.5 mttm -96.78 -39.9 9.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.522 -0.763 . . . . 10.0 110.493 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 173' ' ' ASP . . . . . . . . . . . . . 22.5 t70 54.08 -101.39 0.12 Allowed 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.883 -0.599 . . . . 10.0 112.574 179.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . -129.67 20.69 5.15 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 121.046 -0.597 . . . . 10.0 112.769 -179.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 175' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt -94.23 152.13 18.93 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.892 0.346 . . . . 10.0 111.912 -179.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 176' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt 73.65 -176.13 0.16 Allowed 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.433 -0.803 . . . . 10.0 112.21 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 177' ' ' LYS . . . . . 0.602 ' HZ1' ' C3 ' ' C' ' 215' ' ' 17F . 0.0 OUTLIER -76.44 -6.62 52.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.381 -0.372 . . . . 10.0 111.927 -179.826 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 178' ' ' LYS . . . . . . . . . . . . . 34.0 mttt 69.76 -79.75 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 115.64 -0.709 . . . . 10.0 112.519 179.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 179' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -166.99 -53.19 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.707 0.289 . . . . 10.0 111.114 -179.518 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 180' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -68.42 156.78 37.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.168 0.508 . . . . 10.0 112.216 -179.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 14.5 m -139.92 -157.17 0.74 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.622 -0.717 . . . . 10.0 110.135 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 182' ' ' LYS . . . . . . . . . . . . . 20.5 ttmm -161.82 94.96 0.96 Allowed 'General case' 0 CA--C 1.529 0.149 0 CA-C-O 120.717 0.294 . . . . 10.0 110.501 179.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 54.0 m -154.4 136.04 14.35 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.047 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 184' ' ' LYS . . . . . 0.442 ' H ' ' C3 ' ' B' ' 209' ' ' 17F . 21.7 ptmt . . . . . 0 C--N 1.324 -0.53 0 CA-C-O 120.859 0.361 . . . . 10.0 111.254 179.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 401' ' ' PCW . . . . . 0.612 ' C31' ' O3 ' ' A' ' 401' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 402' ' ' PCW . . . . . 0.685 ' C35' ' O31' ' A' ' 402' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 403' ' ' PCW . . . . . 0.615 ' O11' ' C4 ' ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 404' ' ' PCW . . . . . 0.748 ' C22' ' C18' ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 405' ' ' PCW . . . . . 0.59 ' C5 ' ' O11' ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 406' ' ' PCW . . . . . 0.59 ' O11' ' C5 ' ' A' ' 405' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 407' ' ' PCW . . . . . 0.74 ' C21' ' C17' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 408' ' ' PCW . . . . . 0.575 ' O4P' ' C6 ' ' A' ' 408' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 409' ' ' PCW . . . . . 0.776 ' C14' ' C19' ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 410' ' ' PCW . . . . . 0.552 ' C18' ' C23' ' A' ' 410' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 411' ' ' PCW . . . . . 0.559 ' C44' ' C36' ' A' ' 405' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 412' ' ' PCW . . . . . 0.491 ' C1 ' ' O3P' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 413' ' ' PCW . . . . . 0.607 ' C11' ' O31' ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 414' ' ' PCW . . . . . 0.651 ' O2 ' ' C35' ' A' ' 414' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 415' ' ' 17F . . . . . 0.633 ' C1Z' ' C16' ' A' ' 414' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 416' ' ' 17F . . . . . 0.55 ' O5 ' ' C5 ' ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 417' ' ' PCW . . . . . 0.502 ' O4P' ' O31' ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 418' ' ' PCW . . . . . 0.616 ' O3P' ' O31' ' A' ' 418' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 419' ' ' PCW . . . . . 0.474 ' C6 ' ' C31' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 420' ' ' PCW . . . . . 0.575 ' O3 ' ' O31' ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 421' ' ' PCW . . . . . 0.567 ' C37' ' C14' ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 422' ' ' 17F . . . . . 0.619 ' P1 ' ' O10' ' A' ' 422' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 601' ' ' PCW . . . . . 0.672 ' C42' ' C46' ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 602' ' ' PCW . . . . . 0.589 ' C6 ' ' O4P' ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 603' ' ' PCW . . . . . 0.515 ' C24' ' C35' ' D' ' 611' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 604' ' ' PCW . . . . . 0.594 ' C3 ' ' P ' ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 605' ' ' PCW . . . . . 0.766 ' O31' ' P ' ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 606' ' ' PCW . . . . . 0.597 ' C17' ' C21' ' D' ' 606' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 607' ' ' PCW . . . . . 0.583 ' C11' ' O31' ' D' ' 607' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 608' ' ' PCW . . . . . 0.591 ' C15' ' C19' ' D' ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 609' ' ' PCW . . . . . 0.578 ' C11' ' O31' ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 610' ' ' PCW . . . . . 0.618 ' C20' ' C24' ' D' ' 610' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 611' ' ' PCW . . . . . 0.515 ' C35' ' C24' ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 612' ' ' PCW . . . . . 0.6 ' C11' ' O31' ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 613' ' ' PCW . . . . . 0.741 ' C21' ' C17' ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 614' ' ' PCW . . . . . 0.544 ' C3 ' ' O31' ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 615' ' ' PCW . . . . . 0.651 ' C46' ' C42' ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 616' ' ' PCW . . . . . 0.526 ' O31' ' O3 ' ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 617' ' ' PCW . . . . . 0.591 ' C3 ' ' P ' ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 618' ' ' PCW . . . . . 0.645 ' C23' ' C27' ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 619' ' ' PCW . . . . . 0.463 ' O2P' ' C8 ' ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 620' ' ' PCW . . . . . 0.483 ' C8 ' ' O11' ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 621' ' ' PCW . . . . . 0.538 ' O31' ' O3 ' ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 622' ' ' PCW . . . . . 0.587 ' C13' ' C4 ' ' A' ' 422' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 623' ' ' PCW . . . . . 0.698 ' C32' ' C36' ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 624' ' ' PCW . . . . . 0.628 ' C24' ' C20' ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 625' ' ' PCW . . . . . 0.634 ' O1P' ' C5 ' ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 626' ' ' PCW . . . . . 0.655 ' C23' ' C27' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 627' ' ' PCW . . . . . 0.643 ' C42' ' C38' ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 628' ' ' 17F . . . . . 0.64 ' C31' ' C19' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 629' ' ' 17F . . . . . 0.548 ' O7 ' ' C17' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 630' ' ' 17F . . . . . 0.443 ' O5 ' ' C8 ' ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 631' ' ' 17F . . . . . 0.508 ' O10' ' O7 ' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 632' ' ' 17F . . . . . 0.494 ' C6 ' ' O10' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 201' ' ' GSP . . . . . 0.627 ' O3G' 'MG ' ' B' ' 202' ' ' ' MG' . . . . . . . . 0 O4'--C1' 1.433 1.596 2 C1'-O4'-C4' 100.986 -9.571 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 202' ' ' ' MG' . . . . . 0.627 'MG ' ' O3G' ' B' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 203' ' ' PCW . . . . . 0.404 ' O11' ' C2 ' ' B' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 204' ' ' PCW . . . . . 0.622 ' C21' ' C17' ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 205' ' ' PCW . . . . . 0.681 ' C21' ' C25' ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 206' ' ' PCW . . . . . 0.59 ' C6 ' ' O4P' ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 207' ' ' PCW . . . . . 0.595 ' O1P' ' C3 ' ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 208' ' ' PCW . . . . . 0.618 ' C43' ' C47' ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 209' ' ' 17F . . . . . 0.648 ' C31' ' C19' ' B' ' 209' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 210' ' ' 17F . . . . . 0.451 ' O6 ' ' C18' ' B' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 211' ' ' 17F . . . . . 0.525 ' C17' ' O7 ' ' B' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 201' ' ' GSP . . . . . 0.631 ' O3G' 'MG ' ' C' ' 202' ' ' ' MG' . . . . . . . . 0 O4'--C1' 1.436 1.821 2 O4'-C1'-N19 112.926 4.726 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 202' ' ' ' MG' . . . . . 0.631 'MG ' ' O3G' ' C' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 203' ' ' PCW . . . . . 0.656 ' C21' ' C25' ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 204' ' ' PCW . . . . . 0.66 ' C42' ' C46' ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 205' ' ' PCW . . . . . 0.579 ' O3 ' ' O31' ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 206' ' ' PCW . . . . . 0.637 ' C24' ' C28' ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 207' ' ' PCW . . . . . 0.8 ' C28' ' C23' ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 208' ' ' PCW . . . . . 0.514 ' O3 ' ' O31' ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 209' ' ' PCW . . . . . 0.677 ' C22' ' C26' ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 210' ' ' PCW . . . . . 0.656 ' C26' ' C22' ' C' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 211' ' ' PCW . . . . . 0.469 ' O2 ' ' O11' ' C' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 212' ' ' PCW . . . . . 0.659 ' C20' ' C24' ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 213' ' ' 17F . . . . . 0.547 ' N1 ' ' O1P' ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 214' ' ' 17F . . . . . 0.496 ' O8 ' ' C5 ' ' C' ' 214' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 215' ' ' 17F . . . . . 0.684 ' HN1' ' C4 ' ' C' ' 215' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 216' ' ' PCW . . . . . 0.557 ' C1 ' ' O31' ' C' ' 216' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 217' ' ' PCW . . . . . 0.637 ' C14' ' C1Z' ' C' ' 219' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 218' ' ' 17F . . . . . 0.687 ' O7 ' ' C18' ' C' ' 218' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 219' ' ' 17F . . . . . 0.637 ' C1Z' ' C14' ' C' ' 217' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 50.5 mt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 121.024 0.44 . . . . 10.0 110.189 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 14.9 tttm -59.98 -45.05 93.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.803 -0.635 . . . . 10.0 111.414 -179.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 91.1 mt -64.88 -33.86 77.02 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.93 0.395 . . . . 10.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 79.4 mt -74.76 -37.46 62.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.978 -0.555 . . . . 10.0 110.623 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -64.92 -49.89 68.63 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.696 -0.684 . . . . 10.0 110.542 179.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -68.79 -21.94 64.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.933 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 70.7 t90 -71.4 -29.74 65.29 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.146 179.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -63.41 -37.03 85.72 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.467 -0.568 . . . . 10.0 109.467 179.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.11 -36.86 75.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.662 -0.699 . . . . 10.0 110.032 179.308 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 50.2 t -66.49 -42.73 90.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 108.988 -0.745 . . . . 10.0 108.988 178.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 38.2 m -59.99 -46.86 88.07 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.182 -0.917 . . . . 10.0 111.271 179.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.58 -35.69 81.81 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.093 0.473 . . . . 10.0 110.05 179.464 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 61.3 m -62.71 -47.42 83.68 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 109.29 -0.633 . . . . 10.0 109.29 178.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -65.4 -35.9 82.35 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.997 -0.547 . . . . 10.0 111.016 179.147 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 49.0 m -59.57 -53.58 56.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.558 179.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 216' ' ' LYS . . . . . 0.432 ' HZ2' ' CD ' ' D' ' 560' ' ' GLU . 71.0 mttt -67.93 -28.63 67.65 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.684 0.278 . . . . 10.0 111.002 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 16.9 mt -64.94 -42.8 94.32 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.748 -0.834 . . . . 10.0 108.748 177.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 48.3 mtt180 -68.93 -30.8 69.33 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.628 -0.715 . . . . 10.0 110.02 178.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -65.92 -48.02 72.79 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.741 -0.837 . . . . 10.0 108.741 177.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -68.73 -28.76 67.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.274 -0.875 . . . . 10.0 110.917 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 13.3 mt -54.84 -33.62 61.91 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.315 -0.402 . . . . 10.0 111.141 179.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -56.75 -69.86 1.15 Allowed Glycine 0 CA--C 1.521 0.453 0 N-CA-C 111.567 -0.613 . . . . 10.0 111.567 178.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -53.61 -39.31 83.39 Favored 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 122.65 2.233 . . . . 10.0 111.585 178.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 49.5 t -59.39 -51.2 75.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.432 -0.349 . . . . 10.0 111.064 179.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 7.9 p -64.54 -38.31 90.56 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.85 -0.34 . . . . 10.0 110.4 179.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -61.47 -50.74 71.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.925 179.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 227' ' ' GLU . . . . . 0.495 ' CD ' ' HZ2' ' D' ' 550' ' ' LYS . 73.9 mt-10 -67.42 -44.14 79.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.511 -0.313 . . . . 10.0 111.229 179.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.31 -50.56 73.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.435 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -64.43 -37.82 88.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.385 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -61.09 -46.75 89.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.057 179.304 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -70.48 -37.13 74.19 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.009 -0.542 . . . . 10.0 110.247 179.196 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 51.5 mt -63.45 -35.43 80.42 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.253 -0.647 . . . . 10.0 109.253 178.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -65.68 -41.68 92.17 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 109.649 -0.5 . . . . 10.0 109.649 178.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 63.4 mttt -62.98 -39.98 96.35 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.136 -0.69 . . . . 10.0 109.136 178.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.64 -52.16 58.82 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.277 -0.874 . . . . 10.0 110.13 179.171 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 1.7 p -65.48 -30.58 71.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 10.0 112.009 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -67.79 -44.46 77.32 Favored 'General case' 0 CA--C 1.517 -0.305 0 N-CA-C 108.438 -0.949 . . . . 10.0 108.438 178.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -61.64 -42.78 99.81 Favored Glycine 0 N--CA 1.445 -0.751 0 N-CA-C 109.838 -1.305 . . . . 10.0 109.838 177.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 79.5 mt -63.59 -33.48 75.69 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.967 0.413 . . . . 10.0 110.387 178.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 15.7 mtt180 -72.2 -39.68 68.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.318 -0.401 . . . . 10.0 109.948 178.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -67.34 -38.67 85.21 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.292 -1.003 . . . . 10.0 108.292 177.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -65.3 -33.87 76.99 Favored 'General case' 0 C--O 1.218 -0.584 0 CA-C-N 114.916 -1.038 . . . . 10.0 110.142 178.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 54.7 ttm -57.29 -30.84 65.05 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.052 0.453 . . . . 10.0 110.485 179.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 9.2 m -76.78 8.16 3.97 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 115.392 -0.822 . . . . 10.0 111.063 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -137.65 -56.77 0.68 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.008 -0.542 . . . . 10.0 109.707 179.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 246' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -57.04 -56.85 16.39 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.59 -0.732 . . . . 10.0 110.902 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . 16.1 mt -78.38 -33.18 49.03 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.239 -0.437 . . . . 10.0 111.375 179.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -61.74 -49.49 76.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.984 0.421 . . . . 10.0 111.001 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -70.72 -27.84 64.28 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.227 -0.442 . . . . 10.0 112.116 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 250' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -78.06 -18.46 13.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.202 0.525 . . . . 10.0 110.289 179.058 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -97.0 -36.42 10.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.74 -0.664 . . . . 10.0 109.903 179.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -74.87 -41.19 60.27 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.317 -0.402 . . . . 10.0 110.647 179.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 45.3 mttt -82.69 -10.06 59.09 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.995 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 254' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -62.66 -29.67 47.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 C-N-CA 120.796 -0.362 . . . . 10.0 110.38 179.673 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -63.99 -63.97 3.33 Favored Pre-proline 0 N--CA 1.453 -0.309 0 CA-C-N 116.274 -0.421 . . . . 10.0 111.371 178.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_endo -62.1 -36.04 72.3 Favored 'Trans proline' 0 C--N 1.356 0.943 0 C-N-CA 121.874 1.716 . . . . 10.0 112.284 179.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 4.3 m-30 -64.61 -53.0 54.57 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.86 0.362 . . . . 10.0 110.495 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 14.3 mt -69.28 -32.78 72.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.444 -0.343 . . . . 10.0 110.609 179.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -60.64 -45.82 92.63 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.319 -0.623 . . . . 10.0 109.319 178.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 260' ' ' ASP . . . . . 0.456 ' CG ' ' HZ1' ' A' ' 264' ' ' LYS . 23.8 t70 -63.69 -48.93 75.15 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.564 -0.744 . . . . 10.0 110.643 179.45 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -60.99 -50.31 73.89 Favored 'General case' 0 N--CA 1.457 -0.092 0 CA-C-N 115.933 -0.576 . . . . 10.0 111.285 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -64.52 -38.73 92.05 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 116.635 -0.257 . . . . 10.0 111.096 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 31.9 ttmt -58.64 -54.4 47.49 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.797 -0.446 . . . . 10.0 109.797 179.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 264' ' ' LYS . . . . . 0.456 ' HZ1' ' CG ' ' A' ' 260' ' ' ASP . 73.7 mttt -64.1 -36.57 84.47 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.666 -0.697 . . . . 10.0 110.161 179.302 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -63.83 -38.77 92.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.326 -0.397 . . . . 10.0 110.299 178.675 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -61.79 -45.39 94.09 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.936 -0.764 . . . . 10.0 108.936 178.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -65.07 -43.85 90.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.162 -0.926 . . . . 10.0 109.507 178.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -60.17 -44.7 94.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.708 -0.678 . . . . 10.0 111.078 179.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 70.8 mmm -65.52 -41.75 92.78 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.336 179.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -61.43 -48.36 81.55 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 116.008 -0.542 . . . . 10.0 109.594 178.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 85.4 mt -59.64 -41.49 90.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.848 -0.615 . . . . 10.0 110.063 179.095 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 1.5 m-30 -60.93 -44.94 96.51 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.607 179.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 78.1 mtt180 -68.57 -42.95 77.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.979 0.419 . . . . 10.0 111.001 179.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -65.48 -16.82 64.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.818 -0.628 . . . . 10.0 111.769 -179.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 275' ' ' LYS . . . . . . . . . . . . . 8.3 mptt -104.25 -48.05 3.96 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.576 -0.284 . . . . 10.0 110.809 179.115 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 2.5 p -53.38 -31.42 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 112.851 0.685 . . . . 10.0 112.851 -178.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -69.57 -63.34 2.01 Favored Pre-proline 0 CA--C 1.536 0.432 0 N-CA-C 112.151 0.426 . . . . 10.0 112.151 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_endo -60.21 -35.82 90.56 Favored 'Trans proline' 0 C--N 1.356 0.94 0 C-N-CA 121.476 1.45 . . . . 10.0 111.339 178.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 34.1 mt -67.0 -37.89 85.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.463 -0.335 . . . . 10.0 110.269 179.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 11.3 ttt180 -66.4 -34.37 77.81 Favored 'General case' 0 C--O 1.223 -0.31 0 N-CA-C 109.426 -0.583 . . . . 10.0 109.426 179.002 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -63.81 -43.18 97.03 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 109.167 -0.679 . . . . 10.0 109.167 178.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -65.09 -49.3 70.55 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.93 -0.577 . . . . 10.0 109.545 178.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 85.3 mt -61.35 -33.3 73.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.597 -0.729 . . . . 10.0 111.018 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -70.59 -45.21 65.78 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.408 -0.59 . . . . 10.0 109.408 178.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -62.74 -45.14 94.12 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.153 -0.684 . . . . 10.0 109.153 178.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -61.08 -45.49 96.48 Favored Glycine 0 N--CA 1.442 -0.927 0 N-CA-C 110.521 -1.032 . . . . 10.0 110.521 178.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -58.14 -44.8 88.04 Favored 'General case' 0 C--O 1.221 -0.429 0 N-CA-C 110.219 -0.289 . . . . 10.0 110.219 178.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 60.3 mtt180 -60.76 -49.6 76.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.853 0.358 . . . . 10.0 110.368 178.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -60.43 -41.53 94.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.898 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 69.6 mttt -71.41 -39.98 70.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.721 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 28.7 mt -64.11 -42.33 96.92 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.285 179.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -61.03 -40.41 93.49 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 109.79 -0.448 . . . . 10.0 109.79 178.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -62.04 -41.99 98.7 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.199 -0.667 . . . . 10.0 109.199 178.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 95.7 mt -67.37 -39.88 85.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.47 -0.786 . . . . 10.0 110.651 179.291 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -62.45 -40.38 96.43 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.142 0.496 . . . . 10.0 109.952 179.147 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -60.3 -28.51 68.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.676 -0.693 . . . . 10.0 110.386 179.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 15.2 mmtp -104.88 13.98 30.27 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.182 -0.463 . . . . 10.0 111.161 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 15.6 mt -110.97 -39.92 4.66 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-N 116.154 -0.476 . . . . 10.0 111.034 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 299' ' ' SER . . . . . . . . . . . . . 2.5 m -72.31 -68.11 0.45 Allowed Pre-proline 0 CA--C 1.544 0.725 0 N-CA-C 112.77 0.656 . . . . 10.0 112.77 -179.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 300' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -63.31 -48.24 6.45 Favored 'Trans proline' 0 C--N 1.354 0.827 0 C-N-CA 121.866 1.71 . . . . 10.0 112.135 -179.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 31.4 mt -65.66 -32.6 74.26 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 116.193 -0.458 . . . . 10.0 110.753 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -67.58 -48.02 58.99 Favored Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 110.564 -1.014 . . . . 10.0 110.564 178.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -62.47 -38.41 89.71 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.322 -0.621 . . . . 10.0 109.322 178.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -65.74 -36.67 84.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.78 -0.645 . . . . 10.0 109.849 178.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 5.9 tpt -68.05 -40.32 82.85 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 116.018 -0.537 . . . . 10.0 109.794 179.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 81.0 mtt180 -70.6 -39.7 73.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.914 -0.585 . . . . 10.0 110.562 178.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -64.36 -42.11 96.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.177 0.513 . . . . 10.0 109.805 178.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 11.7 mmt180 -69.8 -29.14 66.37 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.968 -0.56 . . . . 10.0 109.551 178.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -67.21 -37.58 83.87 Favored 'General case' 0 CA--C 1.52 -0.204 0 N-CA-C 108.333 -0.988 . . . . 10.0 108.333 177.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 310' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 -59.88 -45.34 92.8 Favored 'General case' 0 C--O 1.22 -0.47 0 N-CA-C 108.707 -0.849 . . . . 10.0 108.707 177.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -66.37 -43.68 85.29 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.802 -0.635 . . . . 10.0 109.897 178.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -55.48 -50.88 68.72 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.137 179.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 85.5 t -72.99 -35.45 48.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.156 -0.929 . . . . 10.0 111.457 -179.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -62.06 -49.34 76.36 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 109.977 -0.379 . . . . 10.0 109.977 179.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -61.84 -33.66 74.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.912 -0.585 . . . . 10.0 109.432 179.088 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 9.5 mt -68.66 -45.12 72.6 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.615 -0.72 . . . . 10.0 109.357 178.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 14.4 mtm105 -61.44 -46.19 91.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.424 . . . . 10.0 110.941 179.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 5.3 m -63.39 -22.43 66.87 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.623 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 14.0 m80 -93.47 -41.08 9.99 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.861 0.362 . . . . 10.0 110.392 178.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 61.5 mt -68.78 -28.27 66.63 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.101 -0.5 . . . . 10.0 112.234 -179.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -57.24 -60.01 10.99 Favored Pre-proline 0 CA--C 1.539 0.535 0 N-CA-C 111.383 0.142 . . . . 10.0 111.383 179.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -68.3 -29.69 31.67 Favored 'Trans proline' 0 C--N 1.357 0.998 0 C-N-CA 121.6 1.533 . . . . 10.0 110.552 178.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 6.3 m-30 -61.89 -51.48 68.02 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.592 179.002 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 5.1 p -62.17 -34.45 76.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.729 0.3 . . . . 10.0 110.477 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -61.84 -49.94 74.25 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.829 -0.623 . . . . 10.0 109.412 178.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -65.11 -39.52 93.25 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 115.614 -0.721 . . . . 10.0 109.501 178.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 75.6 mt -58.54 -37.91 76.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.454 179.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 66.5 mtt85 -62.98 -42.31 99.8 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.531 -0.544 . . . . 10.0 109.531 178.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -68.25 -41.83 80.57 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.486 -0.561 . . . . 10.0 109.486 178.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 3.8 mtt-85 -61.33 -51.0 70.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.458 -0.792 . . . . 10.0 110.128 179.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 91.0 mt -58.2 -46.2 86.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.058 179.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -58.59 -48.5 80.74 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-N 115.956 -0.565 . . . . 10.0 109.817 178.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -59.53 -46.64 88.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.394 -0.366 . . . . 10.0 111.259 179.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 8.4 mmt180 -62.28 -47.07 85.95 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.272 -0.422 . . . . 10.0 109.934 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 77.3 mt -64.46 -44.57 90.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.901 -0.59 . . . . 10.0 111.985 -179.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -64.3 -39.97 94.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.915 0.388 . . . . 10.0 110.803 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -64.39 -44.42 91.36 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.157 -0.683 . . . . 10.0 109.157 178.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 68.1 mt -71.7 -15.88 62.22 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 115.826 -0.625 . . . . 10.0 111.045 179.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 71.2 tttt -74.85 -44.67 47.83 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.702 -0.851 . . . . 10.0 108.702 178.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -73.99 -48.11 32.56 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.956 -0.757 . . . . 10.0 108.956 178.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -60.88 -49.8 76.01 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.501 -0.772 . . . . 10.0 110.387 179.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -62.68 -35.76 92.34 Favored Glycine 0 N--CA 1.444 -0.781 0 CA-C-N 115.732 -0.667 . . . . 10.0 111.512 179.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -64.43 -43.71 96.33 Favored Glycine 0 N--CA 1.45 -0.37 0 N-CA-C 110.891 -0.883 . . . . 10.0 110.891 178.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -64.07 -41.86 97.19 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 109.508 -0.553 . . . . 10.0 109.508 178.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 32.3 mtm180 -63.09 -40.07 96.57 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 115.801 -0.636 . . . . 10.0 110.274 178.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 62.4 mt -66.59 -48.01 70.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.317 179.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.13 -38.87 80.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.044 0.45 . . . . 10.0 110.017 179.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -70.63 -47.41 60.23 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.385 -0.825 . . . . 10.0 110.16 178.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -58.56 -36.92 74.68 Favored 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 116.229 -0.441 . . . . 10.0 111.553 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -62.3 -38.5 89.64 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.085 -0.709 . . . . 10.0 109.085 178.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -71.71 -41.5 68.49 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.049 -0.523 . . . . 10.0 109.658 178.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 42.8 mttm -60.97 -44.43 97.34 Favored 'General case' 0 C--N 1.338 0.102 0 CA-C-N 116.198 -0.455 . . . . 10.0 110.158 178.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -63.42 -41.52 98.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.628 -0.714 . . . . 10.0 110.293 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 27.6 m -64.82 -47.03 79.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.39 -0.368 . . . . 10.0 110.247 179.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -60.9 -41.64 96.46 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 109.318 -0.623 . . . . 10.0 109.318 178.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -63.25 -35.73 81.33 Favored 'General case' 0 C--O 1.226 -0.173 0 CA-C-N 115.788 -0.642 . . . . 10.0 109.855 178.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 46.2 mt -66.24 -38.79 88.73 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.402 -0.363 . . . . 10.0 110.593 179.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 3.9 m -61.26 -42.66 99.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.09 0.472 . . . . 10.0 110.282 179.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.9 -32.24 57.28 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.33 179.245 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 25.9 tp -66.81 -32.66 74.08 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.374 -0.602 . . . . 10.0 109.374 178.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 51.3 m -64.71 -26.13 68.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.727 -0.67 . . . . 10.0 110.161 178.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -71.54 -17.43 62.32 Favored 'General case' 0 C--O 1.231 0.118 0 N-CA-C 109.192 -0.67 . . . . 10.0 109.192 178.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 363' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -98.34 -26.1 14.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.588 -0.733 . . . . 10.0 109.399 178.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -78.58 -33.59 47.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.542 -0.754 . . . . 10.0 111.785 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -107.69 -72.0 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.449 0 N-CA-C 112.481 0.549 . . . . 10.0 112.481 179.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -55.9 -60.92 0.41 Allowed 'Trans proline' 0 C--N 1.357 0.985 0 C-N-CA 122.457 2.104 . . . . 10.0 112.899 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 367' ' ' ALA . . . . . . . . . . . . . . . -59.46 -42.79 92.82 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.446 0.536 . . . . 10.0 112.446 -179.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 5.2 mt -66.11 -42.47 89.19 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 120.809 -0.357 . . . . 10.0 111.108 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -63.68 -44.91 92.33 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.848 -0.797 . . . . 10.0 108.848 178.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -59.74 -40.96 89.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.374 -0.83 . . . . 10.0 109.838 179.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 12.4 mt -63.75 -45.81 88.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.656 -0.702 . . . . 10.0 109.922 178.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 84.8 mtt180 -63.21 -42.32 99.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.945 179.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -62.16 -31.21 71.68 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.486 -0.325 . . . . 10.0 110.916 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -86.02 -38.92 8.26 Favored Glycine 0 N--CA 1.442 -0.909 0 C-N-CA 120.465 -0.874 . . . . 10.0 111.367 179.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 39.1 mt -66.45 -36.34 82.54 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 111.957 0.355 . . . . 10.0 111.957 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 37.9 mt -50.1 -65.54 0.84 Allowed Pre-proline 0 CA--C 1.538 0.511 0 N-CA-C 112.607 0.595 . . . . 10.0 112.607 -179.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -64.98 -26.94 58.29 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 121.698 1.599 . . . . 10.0 111.448 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 2.9 t -65.94 -43.3 92.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 121.039 0.447 . . . . 10.0 109.892 179.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 97.2 mt -67.68 -35.55 79.05 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.377 -0.601 . . . . 10.0 109.377 178.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -66.76 -45.73 77.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.897 -0.592 . . . . 10.0 110.643 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 1.5 p -65.9 -32.19 73.56 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 109.228 -0.656 . . . . 10.0 109.228 178.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 1.4 m-30 -65.52 -43.45 90.01 Favored 'General case' 0 CA--C 1.517 -0.318 0 N-CA-C 108.952 -0.758 . . . . 10.0 108.952 177.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -55.19 -47.75 74.8 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.247 178.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 48.9 t -59.05 -40.58 81.09 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-N 115.888 -0.597 . . . . 10.0 110.138 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 11.5 m -69.13 -42.25 76.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.555 -0.748 . . . . 10.0 110.436 179.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -66.78 -43.36 84.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.521 -0.308 . . . . 10.0 111.117 179.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 61.8 mt -57.28 -53.65 55.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.436 . . . . 10.0 111.281 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 3.8 p -63.03 -38.88 92.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.11 -0.495 . . . . 10.0 111.156 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -62.42 -41.15 98.49 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.736 0.303 . . . . 10.0 110.98 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 77.1 mt -65.15 -39.84 93.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 10.0 109.871 179.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -66.08 -36.85 84.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.036 179.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -59.76 -42.0 92.29 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.42 179.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -62.2 -47.66 83.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.838 -0.619 . . . . 10.0 110.675 179.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 3.5 m -62.36 -39.64 93.8 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.253 -0.43 . . . . 10.0 111.747 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -72.03 -26.98 62.42 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 113.525 0.935 . . . . 10.0 113.525 -178.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -102.61 -41.9 6.1 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 113.763 1.023 . . . . 10.0 113.763 -178.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 87.0 mt -77.52 -36.85 52.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.816 0.341 . . . . 10.0 110.901 -179.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 47.8 t30 . . . . . 0 C--N 1.323 -0.557 0 CA-C-N 116.176 -0.466 . . . . 10.0 110.93 -179.833 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 2.9 mm? . . . . . 0 N--CA 1.463 0.184 0 CA-C-O 121.156 0.503 . . . . 10.0 110.733 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -92.85 17.72 10.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.095 -0.502 . . . . 10.0 111.354 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 77.0 mt -69.97 -35.51 74.51 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.036 0.446 . . . . 10.0 110.032 179.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 67.2 mt -67.36 -35.75 79.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.724 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.57 -45.51 86.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.878 -0.601 . . . . 10.0 109.973 179.555 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -68.87 -40.91 79.02 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.958 -0.565 . . . . 10.0 110.087 178.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 6.7 m95 -58.86 -36.5 74.7 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.857 -0.61 . . . . 10.0 110.57 179.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -58.76 -52.23 66.61 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.436 -0.579 . . . . 10.0 109.436 178.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.85 -36.5 76.99 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.542 -0.754 . . . . 10.0 110.62 178.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 79.6 t -67.55 -37.16 78.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.222 0.535 . . . . 10.0 109.846 178.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 15.8 m -67.8 -41.31 83.34 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.178 -0.675 . . . . 10.0 109.178 178.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 10.5 m -63.9 -44.78 91.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.596 179.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 1.1 p -64.02 -32.77 74.44 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.214 0.53 . . . . 10.0 110.344 179.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -69.61 -39.34 77.29 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.312 -0.625 . . . . 10.0 109.312 177.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 27.3 m -68.29 -30.93 70.05 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.621 -0.718 . . . . 10.0 109.324 178.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 43.0 mmtt -67.09 -34.91 78.66 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.319 -0.623 . . . . 10.0 109.319 178.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 87.5 mt -64.21 -39.4 93.9 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.032 -0.729 . . . . 10.0 109.032 178.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 78.1 mtt180 -67.0 -35.34 79.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.632 -0.713 . . . . 10.0 110.665 179.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -64.39 -29.54 70.6 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-O 121.303 0.573 . . . . 10.0 109.584 178.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -84.16 -46.48 11.86 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.532 -0.758 . . . . 10.0 109.608 179.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 59.3 mt -47.8 -42.34 25.73 Favored 'General case' 0 C--O 1.226 -0.16 0 CA-C-N 115.395 -0.821 . . . . 10.0 112.374 -179.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -53.4 -76.0 0.2 Allowed Glycine 0 CA--C 1.523 0.548 0 C-N-CA 120.903 -0.665 . . . . 10.0 112.629 179.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -57.63 -39.37 88.62 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 122.575 2.183 . . . . 10.0 112.152 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 19.5 t -58.54 -48.02 86.71 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.114 0 N-CA-C 112.307 0.484 . . . . 10.0 112.307 -179.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 34.2 p -68.61 -37.39 79.74 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.952 -0.299 . . . . 10.0 110.493 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -57.91 -53.3 59.76 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.07 179.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -71.3 -27.27 63.29 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.165 -0.471 . . . . 10.0 110.777 179.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -65.17 -46.53 80.47 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.025 -0.732 . . . . 10.0 109.025 178.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 12.2 m95 -65.33 -36.97 85.64 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.987 -0.551 . . . . 10.0 109.866 178.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -66.79 -37.63 84.93 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.123 -0.695 . . . . 10.0 109.123 178.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -67.98 -44.04 77.58 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.357 -0.838 . . . . 10.0 108.765 177.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 68.4 mt -57.81 -36.53 72.34 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 115.583 -0.735 . . . . 10.0 109.843 178.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -65.02 -44.81 87.94 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.041 178.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 39.7 mttp -62.83 -44.0 97.31 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.125 -0.694 . . . . 10.0 109.125 178.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -63.02 -55.24 27.34 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.329 -0.85 . . . . 10.0 111.016 179.31 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 13.6 p -56.8 -51.74 67.79 Favored 'General case' 0 C--O 1.224 -0.28 0 N-CA-C 111.384 0.142 . . . . 10.0 111.384 -179.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -59.2 -45.69 90.41 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 121.08 -0.248 . . . . 10.0 111.333 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -63.51 -46.23 92.92 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.873 -0.68 . . . . 10.0 111.633 179.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 96.6 mt -65.55 -33.55 76.18 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.738 0.304 . . . . 10.0 110.261 179.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 56.1 mtt180 -65.94 -34.04 77.21 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.272 -0.422 . . . . 10.0 110.135 179.201 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -65.65 -40.95 93.01 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 108.46 -0.941 . . . . 10.0 108.46 178.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -69.12 -43.97 73.36 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.17 -0.923 . . . . 10.0 108.865 178.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 67.0 mmm -57.4 -48.49 78.94 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.192 -0.913 . . . . 10.0 111.954 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 3.3 p -62.44 -49.42 75.52 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.629 0.252 . . . . 10.0 110.844 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -61.38 -36.39 80.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.008 -0.542 . . . . 10.0 111.013 179.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -73.34 -54.23 8.86 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.088 -0.506 . . . . 10.0 110.236 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 79.5 mt -56.07 -46.8 78.86 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.163 0.431 . . . . 10.0 112.163 -179.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -61.76 -35.95 79.61 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.859 0.362 . . . . 10.0 110.647 -179.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 447' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -74.88 -35.02 62.29 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.0 -0.546 . . . . 10.0 109.781 178.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 26.6 t -61.31 -42.28 92.97 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.299 0 CA-C-N 116.145 -0.479 . . . . 10.0 110.026 179.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -59.51 -43.94 93.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.137 0.494 . . . . 10.0 110.694 179.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -84.26 -1.88 56.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.965 -0.561 . . . . 10.0 111.851 -179.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 2.2 ttmm -104.7 -43.07 5.22 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.451 -0.341 . . . . 10.0 110.757 179.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 42.1 t -60.31 -39.18 80.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.21 -0.45 . . . . 10.0 111.27 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -57.14 -61.4 7.17 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-O 119.347 -0.358 . . . . 10.0 111.783 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -67.77 -29.69 35.16 Favored 'Trans proline' 0 C--N 1.355 0.908 0 C-N-CA 121.881 1.72 . . . . 10.0 112.011 179.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -66.51 -47.6 72.46 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.767 -0.457 . . . . 10.0 109.767 179.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 19.8 mt -68.65 -32.82 72.95 Favored 'General case' 0 CA--C 1.517 -0.301 0 N-CA-C 109.299 -0.63 . . . . 10.0 109.299 178.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -63.99 -52.66 58.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.818 -0.628 . . . . 10.0 109.963 178.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -62.33 -41.43 98.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.631 -0.713 . . . . 10.0 110.739 179.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -67.54 -44.93 77.14 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.099 -0.5 . . . . 10.0 111.061 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -64.5 -35.76 82.01 Favored 'General case' 0 C--O 1.222 -0.351 0 C-N-CA 120.993 -0.283 . . . . 10.0 110.239 179.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 62.5 mttt -65.51 -39.86 92.33 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 109.11 -0.7 . . . . 10.0 109.11 178.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 1.9 ttmm -66.5 -40.99 89.54 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.203 -0.908 . . . . 10.0 109.44 178.241 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 50.3 m0 -65.77 -39.84 91.41 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.187 -0.672 . . . . 10.0 109.187 178.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -61.56 -43.55 98.65 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.085 178.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 465' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -61.44 -46.54 89.67 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.317 -0.623 . . . . 10.0 109.317 178.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.83 -44.71 92.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.912 -0.586 . . . . 10.0 110.294 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 61.2 mtm -63.53 -37.51 87.58 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.83 0.348 . . . . 10.0 110.09 178.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -63.67 -46.83 83.82 Favored 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 108.755 -0.831 . . . . 10.0 108.755 178.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 469' ' ' LEU . . . . . . . . . . . . . 95.6 mt -60.37 -35.01 74.69 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.62 -0.718 . . . . 10.0 110.296 179.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 12.9 m-30 -63.73 -35.51 80.82 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.712 -0.477 . . . . 10.0 109.712 178.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 62.2 mtt180 -74.89 -21.22 59.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.916 -0.584 . . . . 10.0 111.346 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -109.43 3.76 21.74 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.156 0.428 . . . . 10.0 112.156 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 473' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -134.35 -61.41 0.78 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.545 0.202 . . . . 10.0 111.545 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 85.5 t -63.45 -38.0 81.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.703 0.287 . . . . 10.0 110.676 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -59.06 -60.88 9.09 Favored Pre-proline 0 CA--C 1.537 0.457 0 CA-C-N 116.019 -0.537 . . . . 10.0 111.683 178.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -60.74 -37.55 77.83 Favored 'Trans proline' 0 C--N 1.354 0.851 0 C-N-CA 122.0 1.8 . . . . 10.0 110.956 178.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 17.0 mt -62.57 -36.8 83.82 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.35 -0.386 . . . . 10.0 110.071 179.172 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 19.4 mtt180 -59.96 -33.51 72.03 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.937 -0.394 . . . . 10.0 109.937 178.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -80.6 -46.56 15.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.716 -0.675 . . . . 10.0 110.569 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -63.07 -42.12 99.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.023 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 56.5 mt -73.47 -23.49 60.08 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 110.006 -0.368 . . . . 10.0 110.006 178.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -69.67 -49.56 52.41 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 108.245 -1.02 . . . . 10.0 108.245 178.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.13 -38.79 92.34 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.515 -0.766 . . . . 10.0 109.099 178.604 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -64.44 -42.41 97.61 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 110.95 -0.86 . . . . 10.0 110.95 178.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -67.3 -36.22 81.06 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 109.419 -0.586 . . . . 10.0 109.419 178.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 89.7 mtt180 -63.96 -41.12 97.66 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 109.219 -0.66 . . . . 10.0 109.219 178.087 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -64.71 -43.37 93.68 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 108.822 -0.807 . . . . 10.0 108.822 178.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -62.11 -44.8 95.85 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.986 -0.552 . . . . 10.0 109.927 179.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 47.6 mt -63.06 -38.36 90.88 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.556 -0.535 . . . . 10.0 109.556 178.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -62.41 -46.56 88.04 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.71 -0.848 . . . . 10.0 108.71 178.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -59.25 -48.18 82.58 Favored 'General case' 0 C--O 1.232 0.146 0 N-CA-C 108.669 -0.863 . . . . 10.0 108.669 178.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 94.3 mt -59.2 -54.59 45.2 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 115.271 -0.877 . . . . 10.0 111.625 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -59.33 -38.58 80.68 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.086 0.402 . . . . 10.0 112.086 -179.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -70.14 -4.83 23.24 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 121.193 0.52 . . . . 10.0 111.375 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 495' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -114.26 -34.92 5.16 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.829 -0.623 . . . . 10.0 109.713 178.07 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 76.3 mt -62.18 -28.57 69.76 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 115.839 -0.619 . . . . 10.0 110.979 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 497' ' ' SER . . . . . . . . . . . . . 1.6 m -75.92 -63.1 0.66 Allowed Pre-proline 0 C--N 1.321 -0.64 0 C-N-CA 120.929 -0.308 . . . . 10.0 111.447 179.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 498' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -62.26 -49.13 6.62 Favored 'Trans proline' 0 C--N 1.356 0.971 0 C-N-CA 121.756 1.637 . . . . 10.0 112.288 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 499' ' ' LEU . . . . . . . . . . . . . 90.8 mt -69.31 -32.06 70.95 Favored 'General case' 0 CA--C 1.519 -0.217 0 N-CA-C 110.407 -0.22 . . . . 10.0 110.407 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -66.62 -50.28 49.9 Favored Glycine 0 N--CA 1.449 -0.495 0 N-CA-C 110.823 -0.911 . . . . 10.0 110.823 179.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -63.6 -34.92 78.89 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 109.555 -0.535 . . . . 10.0 109.555 178.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 502' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -67.17 -41.8 85.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.792 -0.64 . . . . 10.0 109.553 178.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 64.9 mmm -64.34 -37.93 89.25 Favored 'General case' 0 CA--C 1.521 -0.151 0 N-CA-C 109.577 -0.527 . . . . 10.0 109.577 178.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 75.0 mtt180 -68.08 -34.39 76.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.729 -0.669 . . . . 10.0 109.374 178.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -70.41 -40.21 73.99 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 109.316 -0.624 . . . . 10.0 109.316 178.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 506' ' ' ARG . . . . . . . . . . . . . 46.9 mtt180 -60.7 -44.13 96.93 Favored 'General case' 0 CA--C 1.518 -0.26 0 N-CA-C 107.943 -1.132 . . . . 10.0 107.943 177.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -58.79 -40.64 84.61 Favored 'General case' 0 C--O 1.225 -0.23 0 CA-C-N 115.249 -0.887 . . . . 10.0 109.958 178.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 508' ' ' ARG . . . . . . . . . . . . . 57.7 mtt85 -62.73 -48.07 80.82 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.433 -0.58 . . . . 10.0 109.433 178.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -59.68 -41.12 89.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.853 -0.612 . . . . 10.0 111.132 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 21.9 m-70 -71.89 -47.53 52.08 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.875 179.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 31.2 t -63.58 -43.25 98.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.714 0.292 . . . . 10.0 111.022 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -65.64 -31.09 71.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.129 0.49 . . . . 10.0 110.062 179.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -69.09 -44.7 71.97 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 108.122 -1.066 . . . . 10.0 108.122 177.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 514' ' ' LEU . . . . . . . . . . . . . 90.6 mt -59.8 -26.61 65.89 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.469 -0.787 . . . . 10.0 110.657 179.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 515' ' ' ARG . . . . . . . . . . . . . 76.3 mtt180 -63.91 -31.9 73.25 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.764 -0.458 . . . . 10.0 109.764 178.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.47 10.18 23.24 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.439 0.638 . . . . 10.0 110.215 179.507 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 26.1 m170 -115.61 -59.98 1.93 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.89 -0.595 . . . . 10.0 110.556 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 69.6 mt -80.58 -55.42 4.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.973 -0.558 . . . . 10.0 111.622 -179.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 519' ' ' ALA . . . . . . . . . . . . . . . -47.93 -56.17 14.7 Favored Pre-proline 0 N--CA 1.467 0.418 0 N-CA-C 113.585 0.957 . . . . 10.0 113.585 -178.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 520' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -63.02 -35.6 64.62 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 121.832 1.688 . . . . 10.0 110.914 179.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -67.03 -36.29 81.77 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.078 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 5.2 m -60.26 -39.93 88.54 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 108.437 -0.949 . . . . 10.0 108.437 178.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -69.79 -42.85 73.21 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.206 -0.906 . . . . 10.0 110.243 179.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -64.82 -33.76 76.75 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.231 0.539 . . . . 10.0 109.704 178.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 15.0 mt -68.58 -33.24 73.73 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-N 115.5 -0.773 . . . . 10.0 109.946 178.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 526' ' ' ARG . . . . . . . . . . . . . 69.7 mtt180 -58.82 -39.41 81.11 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.379 179.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -63.53 -43.34 97.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.841 -0.618 . . . . 10.0 109.889 179.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 528' ' ' ARG . . . . . . . . . . . . . 77.4 mtt180 -69.59 -49.15 56.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.421 -0.809 . . . . 10.0 110.433 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 92.6 mt -59.51 -35.72 74.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.931 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -66.26 -36.21 82.41 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.902 -0.407 . . . . 10.0 109.902 179.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -73.57 -42.68 61.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.696 -0.684 . . . . 10.0 109.178 179.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 18.7 ttm180 -61.73 -45.98 91.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.585 -0.734 . . . . 10.0 109.357 178.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 48.8 mt -66.59 -32.32 73.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.773 -0.649 . . . . 10.0 110.004 178.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -66.63 -44.98 80.57 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 108.993 -0.743 . . . . 10.0 108.993 178.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -62.57 -41.72 99.1 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 108.871 -0.789 . . . . 10.0 108.871 177.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 94.5 mt -66.39 -28.43 68.63 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.581 -0.736 . . . . 10.0 110.472 178.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 41.8 mtmt -77.5 -43.5 31.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.356 -0.384 . . . . 10.0 110.121 178.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -65.79 -48.53 71.48 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 109.761 -0.459 . . . . 10.0 109.761 179.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -66.75 -36.31 82.15 Favored 'General case' 0 CA--C 1.512 -0.483 0 N-CA-C 108.629 -0.878 . . . . 10.0 108.629 178.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -62.05 -46.45 94.0 Favored Glycine 0 N--CA 1.443 -0.836 0 N-CA-C 111.292 -0.723 . . . . 10.0 111.292 179.172 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -60.21 -43.85 98.03 Favored Glycine 0 N--CA 1.449 -0.438 0 N-CA-C 111.057 -0.817 . . . . 10.0 111.057 178.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -64.76 -49.3 71.32 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.942 -0.392 . . . . 10.0 109.942 178.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 59.2 mtt85 -61.27 -34.51 75.3 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.997 179.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 42.0 mt -64.92 -41.68 95.34 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.282 -0.636 . . . . 10.0 109.282 178.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -65.69 -43.87 87.92 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.116 -0.698 . . . . 10.0 109.116 178.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -62.93 -43.04 99.88 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 115.892 -0.594 . . . . 10.0 110.009 178.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -60.52 -47.92 84.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.684 -0.689 . . . . 10.0 110.261 179.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 32.1 m-70 -65.35 -39.95 93.01 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.482 -0.326 . . . . 10.0 110.885 179.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -65.46 -47.94 74.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.4 179.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 550' ' ' LYS . . . . . 0.495 ' HZ2' ' CD ' ' A' ' 227' ' ' GLU . 10.9 mptt -66.94 -29.68 69.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.498 . . . . 10.0 110.295 179.221 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -64.62 -42.75 95.29 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.566 -0.531 . . . . 10.0 109.566 178.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -69.2 -42.75 75.36 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.393 -0.367 . . . . 10.0 110.172 178.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -60.93 -45.24 95.47 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.417 -0.586 . . . . 10.0 109.417 178.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -64.94 -38.47 91.06 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.475 -0.784 . . . . 10.0 109.547 179.029 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 29.2 tp -62.09 -44.89 95.68 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.067 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 24.2 m -63.53 -42.84 98.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.044 -0.526 . . . . 10.0 109.761 178.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 9.8 m -66.83 -37.27 84.17 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.89 -0.595 . . . . 10.0 110.117 179.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 27.3 mt -62.17 -51.37 68.11 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.545 178.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 2.2 p -65.9 -36.72 84.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.604 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 560' ' ' GLU . . . . . 0.432 ' CD ' ' HZ2' ' A' ' 216' ' ' LYS . 24.7 tt0 -61.23 -31.12 70.9 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 115.878 -0.601 . . . . 10.0 111.03 179.467 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.47 -40.68 8.96 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 121.101 -0.24 . . . . 10.0 111.395 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -57.64 -43.86 85.2 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.491 0.552 . . . . 10.0 112.491 -179.003 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -56.42 -60.59 8.68 Favored Pre-proline 0 CA--C 1.536 0.408 0 N-CA-C 112.553 0.575 . . . . 10.0 112.553 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -63.49 -41.37 26.2 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 122.155 1.903 . . . . 10.0 111.734 179.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -60.35 -53.57 56.0 Favored 'General case' 0 C--N 1.331 -0.201 0 O-C-N 123.284 0.365 . . . . 10.0 110.919 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 45.4 mt -60.73 -40.47 92.5 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.625 -0.262 . . . . 10.0 110.913 179.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -62.84 -47.28 84.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.878 0.37 . . . . 10.0 110.49 179.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -64.21 -38.85 92.51 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.118 179.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 69.6 mt -65.92 -42.03 90.62 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.241 178.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 83.7 mtt180 -66.13 -46.1 78.7 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.216 0.531 . . . . 10.0 110.404 179.257 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -74.87 -6.8 51.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.676 -0.693 . . . . 10.0 110.815 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -104.39 -35.41 3.35 Favored Glycine 0 N--CA 1.451 -0.364 0 N-CA-C 111.179 -0.769 . . . . 10.0 111.179 179.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 30.0 mt -70.39 -41.33 73.19 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.728 -0.236 . . . . 10.0 110.525 179.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 92.4 mt -50.44 -59.29 7.51 Favored Pre-proline 0 CA--C 1.534 0.364 0 N-CA-C 112.295 0.479 . . . . 10.0 112.295 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -68.14 -38.01 13.32 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 122.01 1.806 . . . . 10.0 112.522 179.115 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.1 -37.4 79.75 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.157 0 C-N-CA 120.905 -0.318 . . . . 10.0 110.735 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 67.1 mt -66.99 -37.34 84.05 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 109.103 -0.703 . . . . 10.0 109.103 178.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -61.57 -43.59 98.58 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 109.36 -0.607 . . . . 10.0 109.36 178.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 8.9 m -63.68 -45.33 90.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.647 -0.706 . . . . 10.0 109.531 178.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -60.73 -42.31 97.07 Favored 'General case' 0 C--N 1.335 -0.056 0 CA-C-N 115.899 -0.592 . . . . 10.0 110.966 179.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -53.88 -45.89 71.19 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 109.989 -0.375 . . . . 10.0 109.989 179.051 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 65.6 t -61.8 -49.67 83.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.932 -0.576 . . . . 10.0 111.257 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.24 -27.53 67.3 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 112.402 0.519 . . . . 10.0 112.402 -179.288 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -80.37 -44.88 18.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.675 -0.239 . . . . 10.0 111.105 179.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 59.4 mt -59.85 -43.81 94.46 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.944 0.402 . . . . 10.0 110.84 179.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 3.4 p -64.0 -39.38 93.99 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.055 -0.52 . . . . 10.0 109.972 179.343 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -63.27 -47.82 80.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.903 -0.59 . . . . 10.0 110.697 179.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 90.5 mt -56.39 -47.64 78.56 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.796 179.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -62.18 -41.94 98.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 10.0 111.118 179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -67.71 -45.69 74.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.132 -0.485 . . . . 10.0 111.889 -179.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -63.05 -34.55 77.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.876 0.37 . . . . 10.0 111.074 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 12.2 m -77.35 -26.83 52.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.767 179.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 25.6 ttmt -75.68 -42.33 51.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.102 -0.499 . . . . 10.0 109.819 179.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 6.1 mptt -75.09 -45.15 43.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.758 -0.656 . . . . 10.0 110.748 179.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 18.2 mt -97.18 64.48 1.94 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.682 -0.488 . . . . 10.0 109.682 179.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 . . . . . 0 C--N 1.322 -0.611 0 CA-C-N 116.098 -0.501 . . . . 10.0 111.449 -179.293 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 46.6 m . . . . . 0 N--CA 1.456 -0.171 0 CA-C-O 120.85 0.357 . . . . 10.0 110.954 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.17 128.33 55.42 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.493 -0.322 . . . . 10.0 110.154 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 73.2 tt0 -87.45 139.2 30.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.623 0.249 . . . . 10.0 110.55 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 99.5 m-85 -131.68 109.86 10.48 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.194 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 46.4 mttm -79.61 108.26 13.02 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.266 -0.424 . . . . 10.0 110.483 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 17.6 mt -108.5 113.43 26.45 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.867 -0.606 . . . . 10.0 110.473 -179.115 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 89.5 t -100.84 123.0 53.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 N-CA-C 109.999 -0.371 . . . . 10.0 109.999 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 2.6 t -86.93 113.3 24.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.516 -0.55 . . . . 10.0 109.516 -179.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.5 m -111.64 152.63 13.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.834 -179.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 143.63 163.76 10.0 Favored Glycine 0 N--CA 1.444 -0.795 0 N-CA-C 111.122 -0.791 . . . . 10.0 111.122 -179.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.36 174.15 6.01 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.101 0.477 . . . . 10.0 111.092 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.48 145.24 27.51 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.906 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 92.94 8.29 61.92 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.975 -0.631 . . . . 10.0 112.284 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 32.0 m -90.83 -24.36 5.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.663 0.268 . . . . 10.0 111.156 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 100.33 22.56 11.42 Favored Glycine 0 CA--C 1.518 0.228 0 C-N-CA 120.921 -0.657 . . . . 10.0 113.113 179.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 2.3 ptmt -65.38 -25.59 67.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.112 0.482 . . . . 10.0 111.621 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.57 -45.85 15.28 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 109.017 -0.735 . . . . 10.0 109.017 178.359 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.17 -44.48 83.54 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.612 -0.722 . . . . 10.0 111.118 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 27.1 mt -59.5 -44.46 93.11 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.925 0.393 . . . . 10.0 110.773 179.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 21.6 m -65.6 -43.18 90.47 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.11 -0.495 . . . . 10.0 111.34 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 98.7 mt -62.76 -33.01 57.7 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 CA-C-O 121.118 0.485 . . . . 10.0 110.905 179.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -70.74 -19.3 62.75 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.967 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 8.2 tp -94.12 -36.94 11.85 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.317 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 51.3 mm -82.4 -67.16 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.899 -179.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -86.88 -13.71 44.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.763 0.316 . . . . 10.0 111.47 -179.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 50.5 m-80 64.33 41.72 5.71 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 113.429 0.9 . . . . 10.0 113.429 178.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 11.8 p80 -146.09 164.12 33.14 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.226 -0.443 . . . . 10.0 109.832 178.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -110.69 130.68 55.51 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.937 0.399 . . . . 10.0 111.605 -178.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 3.0 m -89.94 121.72 40.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.458 179.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -81.41 -26.38 35.44 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.028 0.442 . . . . 10.0 110.606 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -86.72 149.37 24.93 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.971 -0.559 . . . . 10.0 110.635 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . 0.472 ' CE1' ' S1G' ' B' ' 201' ' ' GSP . 1.7 t80 -96.36 107.74 20.16 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.08 0.467 . . . . 10.0 111.618 -179.285 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -112.12 118.09 46.69 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 115.37 -0.832 . . . . 10.0 109.028 179.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -61.67 151.61 79.26 Favored 'Trans proline' 0 CA--C 1.533 0.462 0 C-N-CA 123.158 2.572 . . . . 10.0 112.799 -179.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' THR . . . . . 0.439 ' OG1' ' O3G' ' B' ' 201' ' ' GSP . 1.4 m -119.54 117.7 29.07 Favored 'General case' 0 C--N 1.332 -0.192 0 O-C-N 122.249 -0.282 . . . . 10.0 110.762 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 47.6 mm -88.07 -48.55 15.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 108.295 -1.002 . . . . 10.0 108.295 178.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -175.52 96.8 0.07 Allowed 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.478 -0.783 . . . . 10.0 109.433 179.29 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -131.89 127.29 36.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.507 -0.315 . . . . 10.0 110.31 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 22.2 p -117.47 149.31 40.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.376 -0.375 . . . . 10.0 111.308 -179.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -132.15 146.76 52.24 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.156 -0.474 . . . . 10.0 110.196 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 2.2 mpp_? -112.89 132.55 55.26 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.037 -0.528 . . . . 10.0 109.75 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 54.4 tttp -143.51 125.37 15.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.754 0.311 . . . . 10.0 111.325 -179.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -98.94 116.58 31.49 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.434 -0.348 . . . . 10.0 110.105 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -133.28 164.35 35.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.888 0.375 . . . . 10.0 111.512 -179.152 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 21.7 t -102.61 98.58 7.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.907 -0.588 . . . . 10.0 109.504 179.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 17.4 mt -108.0 122.49 62.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.969 -0.56 . . . . 10.0 110.534 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 58.52 32.64 22.36 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.292 -0.867 . . . . 10.0 111.459 179.548 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.75 7.29 87.56 Favored Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 115.949 -0.569 . . . . 10.0 113.488 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -117.31 143.96 45.38 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.959 0.379 . . . . 10.0 111.47 -179.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.55 104.36 13.61 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.381 -0.599 . . . . 10.0 109.381 178.555 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 3.5 m -105.42 136.39 45.06 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 112.356 0.502 . . . . 10.0 112.356 -178.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 66.2 tp -103.31 103.81 13.87 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.355 -0.98 . . . . 10.0 108.355 177.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 51.4 mt -78.03 121.31 24.06 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 112.758 0.651 . . . . 10.0 112.758 -178.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -106.9 75.95 1.07 Allowed 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 107.578 -1.267 . . . . 10.0 107.578 178.291 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 3.9 mt -79.09 136.38 23.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.54 -0.755 . . . . 10.0 111.581 -177.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 53.7 tp -139.03 106.41 5.53 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.714 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -83.97 121.21 27.08 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.485 -0.561 . . . . 10.0 109.485 178.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 22.8 p -98.33 162.61 13.09 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.049 -0.523 . . . . 10.0 111.434 -178.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.91 127.07 31.8 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.738 -0.664 . . . . 10.0 110.979 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -102.35 15.87 55.77 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.716 -0.755 . . . . 10.0 111.463 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -92.48 20.72 5.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.719 0.295 . . . . 10.0 111.313 -179.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 59.2 -155.28 0.36 Allowed 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.872 -179.529 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 74.3 -44.74 0.57 Allowed 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.14 0.576 . . . . 10.0 111.684 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -76.43 68.68 2.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.12 0.486 . . . . 10.0 110.833 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.77 -57.72 3.53 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.905 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.18 -20.04 52.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.033 -0.53 . . . . 10.0 111.071 -179.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.05 -31.96 44.71 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.712 179.7 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -66.16 -31.02 71.61 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 116.134 -0.485 . . . . 10.0 111.624 -179.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -59.58 -37.1 77.61 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.384 0.612 . . . . 10.0 109.948 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -63.49 -39.74 95.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.331 -0.85 . . . . 10.0 111.262 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -71.43 -42.69 67.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.104 0.478 . . . . 10.0 110.575 179.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 66.2 mtt -63.22 -32.05 73.36 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.517 -0.765 . . . . 10.0 112.991 -178.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -78.27 -4.72 49.26 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.216 0.531 . . . . 10.0 111.515 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 5.5 m -109.4 -44.41 3.91 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 122.136 -0.353 . . . . 10.0 111.366 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.59 152.28 52.25 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.787 -0.72 . . . . 10.0 113.456 -179.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -103.78 -48.55 3.9 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.325 0.584 . . . . 10.0 109.908 179.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -108.59 130.4 10.04 Favored Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 110.919 -0.872 . . . . 10.0 110.919 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -110.68 115.93 30.43 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.282 0.563 . . . . 10.0 111.603 -179.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 12.3 tp -90.1 102.6 15.31 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.563 -0.744 . . . . 10.0 109.864 179.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 3.6 m -85.35 94.22 8.9 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.209 -0.451 . . . . 10.0 109.873 -179.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 42.3 t -101.06 125.49 54.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.144 -0.48 . . . . 10.0 111.341 -178.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -132.67 150.45 52.16 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.193 -0.458 . . . . 10.0 109.855 179.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -87.66 127.15 35.29 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.313 -0.625 . . . . 10.0 109.313 179.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 25.0 pt -65.52 -15.47 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 112.347 0.499 . . . . 10.0 112.347 -179.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -89.65 -11.34 42.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.89 0.376 . . . . 10.0 110.78 179.304 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 43.4 t-20 -116.64 108.84 16.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.293 -179.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 3.1 m -65.38 -33.92 77.09 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.709 0.633 . . . . 10.0 112.709 -179.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -56.27 -44.31 79.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.464 -0.335 . . . . 10.0 111.359 -179.196 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.81 -33.92 76.77 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.775 0.287 . . . . 10.0 111.775 -179.722 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -67.13 -46.41 74.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.299 -0.409 . . . . 10.0 111.209 -179.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -73.41 -27.12 61.28 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.945 0.402 . . . . 10.0 111.467 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -71.36 -17.98 62.39 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.225 0.454 . . . . 10.0 112.225 -179.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 28.3 mm -53.62 -46.46 61.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.796 0.331 . . . . 10.0 110.906 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -63.83 -38.31 90.61 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.472 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -61.93 -41.51 98.03 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.029 -0.532 . . . . 10.0 111.002 -179.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -76.6 -38.38 54.9 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.267 179.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 23.2 ttt180 -58.92 -46.48 87.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.016 -0.538 . . . . 10.0 111.587 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -62.51 -36.46 82.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 10.0 111.67 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -67.39 -43.72 80.66 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.53 -0.544 . . . . 10.0 109.53 179.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 91.9 mt -57.67 -49.68 79.9 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.393 179.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 3.8 mtmp? -65.25 -30.93 71.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.049 -0.523 . . . . 10.0 111.216 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -72.32 -51.71 19.49 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.181 -0.463 . . . . 10.0 111.524 -179.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 95.8 t -64.36 -49.39 81.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.893 -0.594 . . . . 10.0 111.548 -178.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -72.83 -15.58 61.62 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.856 0.317 . . . . 10.0 111.856 -179.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 33.1 t0 57.87 63.86 1.68 Allowed 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.492 0.663 . . . . 10.0 111.504 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 11.0 t -160.28 157.72 28.58 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.394 -0.821 . . . . 10.0 109.477 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -97.37 -30.05 13.16 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.174 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -106.4 103.84 13.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.413 -0.358 . . . . 10.0 110.99 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 55.2 t -118.86 131.84 24.16 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 116.197 -0.456 . . . . 10.0 109.87 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -65.12 104.12 0.57 Allowed 'Trans proline' 0 C--O 1.236 0.384 0 C-N-CA 122.969 2.446 . . . . 10.0 111.474 179.312 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 66.6 mtm -139.58 153.47 47.4 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.521 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 68.2 t -133.41 131.35 57.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 109.222 -0.658 . . . . 10.0 109.222 178.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 11.0 tp -86.2 119.07 26.09 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.735 -0.468 . . . . 10.0 109.735 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 79.5 t -121.22 127.93 75.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 120.992 0.425 . . . . 10.0 111.454 -178.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -105.43 117.22 5.47 Favored Glycine 0 N--CA 1.446 -0.671 0 N-CA-C 110.298 -1.121 . . . . 10.0 110.298 178.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -100.87 166.23 10.95 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 117.147 0.474 . . . . 10.0 111.132 -179.053 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 95.9 mttt 67.1 33.93 5.35 Favored 'General case' 0 N--CA 1.462 0.17 0 O-C-N 123.705 0.628 . . . . 10.0 112.215 179.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 54.7 m -69.64 -6.96 34.91 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.063 0.394 . . . . 10.0 112.063 179.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.79 -29.85 29.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.526 179.342 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 43.9 mt -65.83 127.14 92.89 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 115.911 -0.586 . . . . 10.0 111.951 -178.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -72.81 167.68 26.59 Favored 'Trans proline' 0 C--O 1.236 0.379 0 C-N-CA 122.453 2.102 . . . . 10.0 111.571 179.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 12.7 m 60.2 46.03 10.88 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.821 -0.627 . . . . 10.0 111.677 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 1.7 ptp180 -63.07 142.45 58.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.303 -0.862 . . . . 10.0 111.16 179.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.52 -46.89 8.35 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.671 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 45.7 t -87.67 122.18 39.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.385 -0.37 . . . . 10.0 110.1 179.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -87.2 156.42 19.68 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.105 -0.498 . . . . 10.0 109.756 179.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.29 -42.27 98.37 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.542 -0.299 . . . . 10.0 111.038 -179.26 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 18.5 pttt -54.81 -50.79 67.68 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.675 0.62 . . . . 10.0 112.675 -179.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -69.95 -35.78 74.76 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 111.915 0.339 . . . . 10.0 111.915 -179.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -70.96 -42.57 69.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.247 0.546 . . . . 10.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -70.03 -34.35 73.16 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.816 -0.629 . . . . 10.0 111.802 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -68.26 -35.47 77.95 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 109.726 -0.472 . . . . 10.0 109.726 178.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 16.1 tp -65.39 -43.84 89.41 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 108.825 -0.806 . . . . 10.0 108.825 178.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.4 -35.81 82.06 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.53 -0.759 . . . . 10.0 109.913 178.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -61.09 -41.09 96.02 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.782 -0.645 . . . . 10.0 110.043 179.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 20.1 m -72.33 -25.19 61.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.69 179.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 17.1 m-30 -82.78 -26.54 31.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.518 179.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 86.36 18.95 58.05 Favored Glycine 0 N--CA 1.45 -0.409 0 N-CA-C 111.487 -0.645 . . . . 10.0 111.487 -179.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 41.8 pt -118.33 153.15 51.59 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.787 -0.206 . . . . 10.0 110.563 -179.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -77.0 149.57 28.94 Favored 'Trans proline' 0 C--O 1.236 0.395 0 C-N-CA 122.825 2.35 . . . . 10.0 112.227 179.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -120.7 130.41 54.07 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.091 -0.504 . . . . 10.0 109.912 179.082 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 28.3 mt -127.77 132.05 69.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 120.816 0.341 . . . . 10.0 111.454 -179.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -83.54 127.62 33.87 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 108.804 -0.813 . . . . 10.0 108.804 178.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 62.0 p -139.03 176.82 8.37 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.626 0.727 . . . . 10.0 112.396 -178.077 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.95 114.22 1.08 Allowed 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.228 -1.027 . . . . 10.0 108.228 178.024 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -62.65 -35.19 78.84 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.184 0.439 . . . . 10.0 112.184 -178.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 147' ' ' LYS . . . . . 0.406 ' HZ3' HN21 ' B' ' 201' ' ' GSP . 34.8 ttpt -59.41 -45.73 90.7 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.208 0.447 . . . . 10.0 112.208 -179.036 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.73 -5.06 46.24 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.618 0.247 . . . . 10.0 111.034 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 29.1 ttt-85 61.65 31.66 18.62 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.784 -179.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -84.28 120.72 26.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.563 -0.744 . . . . 10.0 111.619 -179.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 74.17 10.58 81.55 Favored Glycine 0 CA--C 1.52 0.383 0 N-CA-C 114.545 0.578 . . . . 10.0 114.545 178.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 95.5 t -62.02 -49.16 85.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 117.261 0.531 . . . . 10.0 110.99 -179.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -67.02 -39.97 87.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.259 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -58.32 -43.91 88.42 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.687 -0.688 . . . . 10.0 111.55 -179.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.43 -44.58 95.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.002 -0.544 . . . . 10.0 111.365 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -72.15 -40.47 68.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.33 -0.395 . . . . 10.0 111.831 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 16.3 m-30 -61.25 -47.4 86.21 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.828 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 89.2 m -61.52 -35.24 77.16 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.086 -0.506 . . . . 10.0 111.452 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 17.5 tp -64.27 -35.89 82.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.239 -0.437 . . . . 10.0 110.473 179.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 92.0 t -67.25 -40.15 84.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.321 -0.4 . . . . 10.0 111.059 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.24 -34.89 75.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.413 -0.358 . . . . 10.0 111.181 -179.723 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -66.91 -30.83 71.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 10.0 111.325 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 67.0 mt -73.03 -43.53 58.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.296 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 39.8 mtt85 -63.3 -39.13 93.71 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 109.646 -0.502 . . . . 10.0 109.646 178.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 5.5 ttmt -62.82 -43.53 98.55 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.322 -0.854 . . . . 10.0 109.067 178.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -58.71 -42.35 88.45 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.4 -0.818 . . . . 10.0 110.077 179.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -61.4 -50.16 73.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.232 179.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -59.66 -41.55 90.85 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.027 0.442 . . . . 10.0 110.19 179.241 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 2.0 mtpm? -61.53 -49.88 74.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.612 -0.722 . . . . 10.0 110.444 179.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 95.1 mmm -63.48 -37.15 86.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.994 -0.548 . . . . 10.0 111.965 -179.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 19.0 m -64.25 -27.25 68.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.882 0.372 . . . . 10.0 111.858 -179.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -99.59 -8.27 24.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.407 -0.36 . . . . 10.0 111.197 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 173' ' ' ASP . . . . . . . . . . . . . 1.7 t70 61.65 -95.19 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.637 -0.711 . . . . 10.0 111.635 179.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . -170.7 145.32 8.93 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 121.097 -0.573 . . . . 10.0 112.043 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 175' ' ' LYS . . . . . . . . . . . . . 53.6 mmtt 62.31 21.18 12.33 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 112.794 0.664 . . . . 10.0 112.794 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 176' ' ' LYS . . . . . 0.625 ' HZ1' ' C3 ' ' B' ' 209' ' ' 17F . 61.1 mmtt -106.76 25.03 11.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.318 0.58 . . . . 10.0 109.63 178.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 177' ' ' LYS . . . . . . . . . . . . . 10.7 ttpt -149.53 -167.3 2.79 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.198 -0.91 . . . . 10.0 109.079 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 53.5 mttm 63.09 65.16 0.8 Allowed 'General case' 0 C--O 1.235 0.325 0 CA-C-O 120.986 0.422 . . . . 10.0 111.737 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 179' ' ' LYS . . . . . . . . . . . . . 17.3 ptmt -87.18 7.11 29.69 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.892 -0.594 . . . . 10.0 110.662 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 38.1 mttt -102.54 117.47 34.76 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.436 179.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.34 164.88 22.8 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.277 -0.42 . . . . 10.0 110.069 179.614 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 74.0 mttt -81.39 -74.69 0.32 Allowed 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 121.089 -0.245 . . . . 10.0 110.934 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 8.3 m 50.12 80.97 0.07 Allowed 'General case' 0 N--CA 1.465 0.29 0 O-C-N 123.821 0.701 . . . . 10.0 112.001 179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 184' ' ' LYS . . . . . 0.532 ' N ' ' C6 ' ' A' ' 409' ' ' PCW . 7.3 ttpt . . . . . 0 C--O 1.236 0.343 0 CA-C-N 116.021 -0.536 . . . . 10.0 111.541 -179.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 CA--C 1.532 0.268 0 CA-C-O 120.698 0.285 . . . . 10.0 111.285 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.65 121.14 26.86 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.558 -0.292 . . . . 10.0 110.412 179.743 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -82.79 134.51 35.11 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.111 0.481 . . . . 10.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -129.03 109.87 11.58 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.654 -0.703 . . . . 10.0 109.533 179.304 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 18.6 mtmm -86.27 115.09 23.59 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.225 -0.443 . . . . 10.0 111.581 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 68.2 mt -118.1 138.03 52.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.419 -0.355 . . . . 10.0 111.038 -179.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 61.9 t -117.97 131.98 69.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 116.22 -0.445 . . . . 10.0 110.049 179.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 3.0 t -93.21 110.89 23.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.065 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 11.2 m -109.99 144.51 18.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.125 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 152.81 160.0 9.38 Favored Glycine 0 N--CA 1.447 -0.604 0 N-CA-C 111.299 -0.72 . . . . 10.0 111.299 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.81 172.55 3.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.076 0.465 . . . . 10.0 111.724 -179.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -83.1 147.63 27.99 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.01 0.433 . . . . 10.0 110.659 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.46 -4.02 86.3 Favored Glycine 0 N--CA 1.45 -0.376 0 CA-C-N 115.909 -0.587 . . . . 10.0 113.543 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 12.6 m -80.51 -14.77 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 117.237 0.519 . . . . 10.0 112.28 -179.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . 0.539 ' CA ' ' C8 ' ' C' ' 201' ' ' GSP . . . 90.42 43.93 4.78 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.643 -0.789 . . . . 10.0 113.973 179.239 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . 0.496 ' HZ1' ' HAC' ' C' ' 201' ' ' GSP . 31.4 mtmm -71.71 -53.03 14.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.855 0.359 . . . . 10.0 110.349 179.231 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 17' ' ' SER . . . . . 0.486 ' OG ' ' O3G' ' C' ' 201' ' ' GSP . 17.4 m -65.9 -29.96 70.48 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.55 -0.75 . . . . 10.0 111.604 -179.329 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.93 -42.92 72.85 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.829 0.347 . . . . 10.0 110.308 178.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 32.3 mt -71.78 -39.18 70.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.541 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.72 -48.03 76.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.437 -0.347 . . . . 10.0 111.179 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 99.3 mt -64.54 -36.13 76.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.702 -179.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -67.8 -20.47 65.19 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.066 0.46 . . . . 10.0 110.989 179.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 10.0 tp -91.79 -40.64 11.11 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.279 179.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 45.9 mm -77.8 -66.8 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.84 -0.618 . . . . 10.0 112.612 -179.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -93.43 -4.92 50.47 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.451 0.537 . . . . 10.0 112.451 -177.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 58.24 52.73 7.13 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 113.832 1.049 . . . . 10.0 113.832 178.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 14.4 p80 -155.35 151.23 27.68 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 120.592 0.234 . . . . 10.0 110.966 178.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -96.48 131.23 43.28 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.149 -0.478 . . . . 10.0 111.272 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 9.4 m -99.11 129.18 49.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.281 179.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -99.44 -3.88 32.69 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.345 0.593 . . . . 10.0 110.198 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -98.05 122.88 41.72 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.529 -0.76 . . . . 10.0 110.279 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -63.01 122.02 15.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.016 -0.538 . . . . 10.0 111.936 -178.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -120.91 109.85 35.43 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.619 -0.719 . . . . 10.0 110.257 179.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -83.04 65.7 7.92 Favored 'Trans proline' 0 N--CA 1.456 -0.681 0 C-N-CA 123.157 2.571 . . . . 10.0 112.083 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 35' ' ' THR . . . . . 0.484 ' OG1' ' O3G' ' C' ' 201' ' ' GSP . 0.0 OUTLIER -70.93 122.33 19.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.994 0.426 . . . . 10.0 110.909 179.356 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 31.6 mm -77.38 -41.92 30.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.791 -0.641 . . . . 10.0 110.14 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -163.22 102.08 0.96 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.355 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -127.38 120.13 27.79 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.205 -0.452 . . . . 10.0 110.678 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.72 148.3 22.24 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.339 -0.391 . . . . 10.0 111.389 -179.405 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -136.61 145.47 44.92 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.28 -0.418 . . . . 10.0 110.278 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -122.72 144.91 48.85 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 116.791 -0.186 . . . . 10.0 110.671 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 49.6 tttp -159.52 153.77 23.71 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.199 179.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -126.9 120.21 28.63 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.881 -0.415 . . . . 10.0 109.881 179.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 4.3 m -139.28 163.06 26.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 110.366 -0.235 . . . . 10.0 110.366 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 24.5 t -97.77 96.03 4.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.204 0.526 . . . . 10.0 109.785 179.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 56.7 mt -94.5 115.31 33.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.649 -0.705 . . . . 10.0 111.31 -178.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 63.13 16.55 9.45 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.072 -0.967 . . . . 10.0 112.277 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 106.99 -10.79 40.68 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.269 -0.967 . . . . 10.0 112.411 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -103.22 131.74 50.03 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 110.133 -0.321 . . . . 10.0 110.133 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.73 109.91 12.14 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.209 -1.034 . . . . 10.0 108.209 178.185 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 2.7 m -107.93 150.91 26.49 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.15 0.5 . . . . 10.0 112.339 -178.03 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 32.1 tp -107.29 115.21 29.76 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 108.113 -1.069 . . . . 10.0 108.113 178.04 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 73.3 mt -89.89 127.27 35.97 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 113.035 0.754 . . . . 10.0 113.035 -177.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -121.64 79.5 1.56 Allowed 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 106.632 -1.618 . . . . 10.0 106.632 177.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 4.4 mt -87.34 143.42 11.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.365 -0.834 . . . . 10.0 111.778 -177.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 36.6 tp -127.44 110.57 12.9 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.872 -0.604 . . . . 10.0 110.845 179.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 57' ' ' ASP . . . . . 0.455 ' OD2' ' O3G' ' C' ' 201' ' ' GSP . 21.9 t70 -89.61 105.54 17.87 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.4 -0.593 . . . . 10.0 109.4 179.116 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 1.9 p -103.55 159.56 15.49 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.111 -0.495 . . . . 10.0 111.883 -179.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.25 162.06 29.3 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.378 -179.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -127.41 33.47 3.29 Favored Glycine 0 N--CA 1.445 -0.704 0 N-CA-C 111.482 -0.647 . . . . 10.0 111.482 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -90.74 12.2 19.91 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.47 0.176 . . . . 10.0 111.222 -179.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 59.66 -164.11 0.22 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.975 -0.557 . . . . 10.0 111.434 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 70.3 -2.68 2.06 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 112.484 0.55 . . . . 10.0 112.484 179.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -97.2 57.94 1.49 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.725 0.298 . . . . 10.0 110.793 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.6 -40.08 95.77 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.694 -0.684 . . . . 10.0 111.597 -179.218 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.02 -38.48 14.38 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.429 -0.351 . . . . 10.0 111.098 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 24.8 ttt -59.9 -40.94 90.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.368 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 68' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -59.44 -46.48 88.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.892 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -60.03 -30.16 68.99 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 115.765 -0.652 . . . . 10.0 112.036 -179.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -64.27 -60.02 3.7 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.478 0.547 . . . . 10.0 112.478 -179.192 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 71' ' ' TYR . . . . . . . . . . . . . 24.5 p90 -77.42 -20.87 53.91 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 113.468 0.914 . . . . 10.0 113.468 -178.147 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 33.0 mtt -66.39 -25.43 66.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.986 0.422 . . . . 10.0 111.361 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 10.2 mtm180 -82.28 -29.25 31.29 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.813 179.05 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.81 -36.13 20.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.038 -0.528 . . . . 10.0 111.164 -179.304 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.87 130.55 36.36 Favored Glycine 0 N--CA 1.449 -0.458 0 CA-C-N 116.004 -0.544 . . . . 10.0 113.038 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -92.29 -42.46 9.82 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.186 0.517 . . . . 10.0 110.029 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -120.69 138.53 12.84 Favored Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 110.378 -1.089 . . . . 10.0 110.378 178.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 78' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -115.53 131.6 56.88 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.143 0.497 . . . . 10.0 111.865 -178.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 12.0 tp -103.49 104.08 14.11 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.606 -0.725 . . . . 10.0 109.975 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 3.8 m -84.19 99.36 10.48 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.791 -0.448 . . . . 10.0 109.791 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 40.1 t -105.78 131.08 56.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 10.0 111.51 -179.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 17.4 p90 -144.38 157.61 44.17 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.961 -0.563 . . . . 10.0 109.948 179.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -93.9 133.09 37.68 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.28 -0.418 . . . . 10.0 110.662 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 84' ' ' ILE . . . . . . . . . . . . . 20.7 pt -68.07 -12.15 15.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.36 -0.382 . . . . 10.0 111.662 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 40.5 p30 -104.97 13.78 30.46 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.149 0.5 . . . . 10.0 110.492 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -134.92 95.81 3.4 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.136 179.445 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 6.5 m -62.07 -28.15 69.4 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.964 -0.562 . . . . 10.0 111.044 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 23.4 tptp -55.93 -54.08 49.09 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.55 179.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 2.7 p -65.6 -23.0 66.72 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 116.311 -0.404 . . . . 10.0 111.671 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -68.27 -33.63 74.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.067 0.461 . . . . 10.0 110.036 179.238 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -85.88 -21.07 28.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.178 179.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -67.54 -29.19 68.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.536 -0.756 . . . . 10.0 110.763 179.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 50.0 mm -52.31 -45.82 44.88 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.157 0 CA-C-N 115.895 -0.593 . . . . 10.0 111.123 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 42.9 t60 -59.09 -50.71 73.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 10.0 110.769 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 74.8 m-70 -56.0 -48.12 76.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.931 -0.577 . . . . 10.0 111.698 -179.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -65.06 -49.5 69.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.436 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -57.25 -48.31 79.16 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.068 -0.515 . . . . 10.0 111.951 -179.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -66.46 -31.5 72.29 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.198 -0.455 . . . . 10.0 111.719 -179.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -71.73 -42.19 67.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.682 0.277 . . . . 10.0 110.644 179.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 75.6 mt -57.26 -43.23 81.62 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.619 179.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 29.4 mtmt -59.54 -35.24 73.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.888 -0.596 . . . . 10.0 111.123 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 6.8 tmm_? -73.64 -45.28 53.69 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.037 -179.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 36.9 t -64.47 -44.48 96.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.019 -0.537 . . . . 10.0 112.101 -179.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 30.7 mtpp -88.36 -5.17 58.46 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.412 -179.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 30.2 t70 52.35 61.57 3.13 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.031 -0.531 . . . . 10.0 111.431 -179.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 43.5 t -169.31 131.82 1.22 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.736 -0.666 . . . . 10.0 110.65 -179.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.07 -22.81 58.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.431 0.634 . . . . 10.0 109.422 178.661 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -98.26 109.01 21.84 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.641 -0.708 . . . . 10.0 110.231 179.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 94.0 t -136.44 127.08 16.47 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 115.781 -0.645 . . . . 10.0 109.665 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -60.6 103.99 0.24 Allowed 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.661 2.241 . . . . 10.0 112.057 179.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 111' ' ' MET . . . . . . . . . . . . . 55.0 mtm -138.62 150.31 46.13 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.266 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 86.1 t -130.75 133.97 62.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.013 -0.736 . . . . 10.0 109.013 178.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 12.7 tp -84.45 108.92 17.51 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.53 -0.545 . . . . 10.0 109.53 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 59.7 t -104.48 116.33 48.07 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.479 -178.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -98.24 119.03 6.31 Favored Glycine 0 N--CA 1.443 -0.84 0 N-CA-C 110.128 -1.189 . . . . 10.0 110.128 178.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 67.3 t30 -105.15 164.87 11.49 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.796 0.298 . . . . 10.0 110.996 -179.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 89.4 mttt 67.79 28.38 7.15 Favored 'General case' 0 CA--C 1.522 -0.128 0 CA-C-N 115.36 -0.836 . . . . 10.0 112.004 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 118' ' ' CYS . . . . . . . . . . . . . 94.2 m -72.03 -16.34 62.05 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.81 0.67 . . . . 10.0 112.81 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -86.63 -3.8 59.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.76 0.314 . . . . 10.0 111.456 -179.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 87.0 mt -88.22 133.2 37.36 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.243 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -63.8 144.94 90.05 Favored 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 122.361 2.041 . . . . 10.0 111.855 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 20.7 m 72.12 110.24 0.06 Allowed 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.839 -0.618 . . . . 10.0 111.964 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -121.38 130.36 53.56 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.857 -0.61 . . . . 10.0 110.693 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -80.12 -34.93 37.41 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.242 0.544 . . . . 10.0 110.189 179.502 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 60.0 t -93.61 125.87 46.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.683 -0.689 . . . . 10.0 110.45 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -76.72 139.57 40.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.903 -0.59 . . . . 10.0 110.193 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 3.6 m -59.43 -45.51 91.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.442 -0.345 . . . . 10.0 111.014 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 33.5 mtmm -65.04 -32.58 74.37 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.427 -179.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -65.74 -45.11 83.83 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.0 -0.545 . . . . 10.0 109.851 179.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -70.11 -35.07 73.87 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.789 -0.641 . . . . 10.0 110.385 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -65.34 -48.19 73.88 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.824 -0.625 . . . . 10.0 110.679 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -65.06 -36.48 84.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.432 . . . . 10.0 110.874 179.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 22.5 tp -65.44 -43.18 91.26 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 109.647 -0.501 . . . . 10.0 109.647 178.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.17 -34.77 78.83 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.376 -0.602 . . . . 10.0 109.376 178.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 7.0 tmm_? -62.47 -37.23 85.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.642 -0.708 . . . . 10.0 109.436 178.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 5.8 m -66.39 -40.13 89.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.781 -0.645 . . . . 10.0 111.022 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -76.9 -26.94 54.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.801 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 88.06 24.24 35.43 Favored Glycine 0 N--CA 1.45 -0.395 0 N-CA-C 111.21 -0.756 . . . . 10.0 111.21 -179.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 47.0 pt -113.82 152.89 46.0 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 115.482 -0.359 . . . . 10.0 110.881 -179.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_exo -74.58 148.83 37.92 Favored 'Trans proline' 0 C--O 1.236 0.377 0 C-N-CA 122.91 2.407 . . . . 10.0 111.961 179.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -128.99 131.29 47.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.869 -0.605 . . . . 10.0 110.687 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 6.0 mt -139.52 127.62 26.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.169 -0.468 . . . . 10.0 111.098 179.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -76.83 132.18 39.05 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 108.818 -0.808 . . . . 10.0 108.818 177.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 11.0 p -137.67 178.5 7.06 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 113.76 1.022 . . . . 10.0 113.76 -178.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 11.0 t -167.42 118.4 0.87 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.084 -0.962 . . . . 10.0 109.017 179.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -75.15 -31.57 61.07 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.335 0.494 . . . . 10.0 112.335 -178.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -65.98 -28.8 69.17 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.885 0.374 . . . . 10.0 111.647 -179.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 42.2 p -107.32 -3.89 19.19 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.793 0.33 . . . . 10.0 110.685 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 56.34 57.3 5.04 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 122.016 0.912 . . . . 10.0 110.953 -178.801 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -107.39 110.69 22.74 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.098 -0.955 . . . . 10.0 110.941 -179.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 64.96 29.23 74.83 Favored Glycine 0 CA--C 1.52 0.389 0 N-CA-C 114.528 0.571 . . . . 10.0 114.528 178.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 29.6 t -66.36 -56.29 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.078 0.466 . . . . 10.0 109.947 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -67.07 -32.13 73.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.666 -0.697 . . . . 10.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -61.77 -46.24 90.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.057 -0.519 . . . . 10.0 111.913 -179.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -56.4 -44.91 80.74 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.92 0.39 . . . . 10.0 111.022 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -69.08 -41.91 76.9 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.33 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -58.74 -43.07 90.12 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.191 0.519 . . . . 10.0 110.109 179.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 86.7 m -63.44 -39.54 94.76 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.615 -0.721 . . . . 10.0 111.603 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 13.5 tp -63.05 -36.95 85.27 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-O 120.961 0.41 . . . . 10.0 111.244 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 22.7 t -66.9 -36.2 76.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 N-CA-C 109.695 -0.483 . . . . 10.0 109.695 178.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -63.2 -38.77 92.49 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 115.717 -0.674 . . . . 10.0 110.253 179.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -66.15 -38.68 88.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.027 -0.533 . . . . 10.0 109.996 179.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 82.5 mt -64.13 -48.07 87.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.162 178.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 44.2 mtt85 -65.78 -35.25 80.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.241 0.543 . . . . 10.0 109.621 179.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -62.69 -47.91 81.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.384 -0.826 . . . . 10.0 110.189 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 46.0 t-80 -59.17 -44.73 92.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 10.0 111.166 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -60.76 -45.25 95.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.485 -0.325 . . . . 10.0 111.356 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -68.75 -46.85 67.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.952 0.406 . . . . 10.0 111.141 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 39.7 mtpt -63.45 -31.89 73.18 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.131 -0.486 . . . . 10.0 112.133 -179.183 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 6.3 mmt -73.27 -23.46 60.31 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 112.107 0.41 . . . . 10.0 112.107 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 44.0 m -75.16 -1.56 23.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.152 0.501 . . . . 10.0 111.204 179.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 36.1 mtpt -105.37 -8.42 18.2 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.309 -0.626 . . . . 10.0 109.309 178.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 173' ' ' ASP . . . . . . . . . . . . . 1.3 t70 50.35 37.57 15.69 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 115.407 -0.815 . . . . 10.0 110.896 -178.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . 123.81 -105.93 0.93 Allowed Glycine 0 N--CA 1.442 -0.914 0 N-CA-C 109.974 -1.25 . . . . 10.0 109.974 -178.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 175' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -144.88 15.64 1.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.914 0.388 . . . . 10.0 111.426 179.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 176' ' ' LYS . . . . . 0.402 ' NZ ' ' O11' ' C' ' 212' ' ' PCW . 10.2 mmmt -91.86 99.41 12.28 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.187 -179.548 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 177' ' ' LYS . . . . . . . . . . . . . 5.0 mmtp -157.05 -62.07 0.09 Allowed 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.612 179.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 178' ' ' LYS . . . . . . . . . . . . . 12.8 tppt? 67.66 116.51 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.211 0 O-C-N 123.872 0.732 . . . . 10.0 112.536 179.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 179' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -78.46 -57.66 3.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.0 -0.545 . . . . 10.0 111.421 -179.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 180' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -116.9 125.43 51.48 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.462 -0.336 . . . . 10.0 110.515 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.65 -60.68 2.22 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.982 -0.554 . . . . 10.0 111.429 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 182' ' ' LYS . . . . . . . . . . . . . 25.5 mttm -110.38 114.55 28.08 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.985 0.422 . . . . 10.0 111.549 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -133.82 23.84 3.95 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.846 -0.616 . . . . 10.0 110.414 179.255 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 184' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.264 -179.72 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 401' ' ' PCW . . . . . 0.579 ' C22' ' C18' ' A' ' 401' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 402' ' ' PCW . . . . . 0.457 ' C35' ' C31' ' A' ' 402' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 403' ' ' PCW . . . . . 0.653 ' C31' ' C35' ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 404' ' ' PCW . . . . . 0.622 ' O31' ' C35' ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 405' ' ' PCW . . . . . 0.47 ' O11' ' C2 ' ' A' ' 405' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 406' ' ' PCW . . . . . 0.532 ' O3P' ' O31' ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 407' ' ' PCW . . . . . 0.679 ' C21' ' C17' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 408' ' ' PCW . . . . . 0.596 ' O4P' ' C6 ' ' A' ' 408' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 409' ' ' PCW . . . . . 0.822 ' C14' ' C19' ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 410' ' ' PCW . . . . . 0.43 ' O11' ' C2 ' ' A' ' 410' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 411' ' ' PCW . . . . . 0.512 ' C32' ' C4 ' ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 412' ' ' PCW . . . . . 0.468 ' O31' ' O3 ' ' A' ' 412' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 413' ' ' PCW . . . . . 0.542 ' C11' ' O31' ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 414' ' ' PCW . . . . . 0.674 ' C47' ' C43' ' A' ' 414' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 415' ' ' 17F . . . . . 0.476 ' C31' ' C34' ' A' ' 414' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 416' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 417' ' ' PCW . . . . . 0.604 ' O31' ' P ' ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 418' ' ' PCW . . . . . 0.584 ' C6 ' ' O4P' ' A' ' 418' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 419' ' ' PCW . . . . . 0.434 ' C43' ' C44' ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 420' ' ' PCW . . . . . 0.545 ' C37' ' C43' ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 421' ' ' PCW . . . . . 0.653 ' C12' ' C9 ' ' D' ' 630' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 422' ' ' 17F . . . . . 0.536 ' O9 ' ' O8 ' ' A' ' 422' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 601' ' ' PCW . . . . . 0.665 ' C42' ' C46' ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 602' ' ' PCW . . . . . 0.573 ' C21' ' C17' ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 603' ' ' PCW . . . . . 0.49 ' C13' ' C8 ' ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 604' ' ' PCW . . . . . 0.594 ' O3 ' ' O31' ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 605' ' ' PCW . . . . . 0.66 ' O31' ' P ' ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 606' ' ' PCW . . . . . 0.662 ' C17' ' C21' ' D' ' 606' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 607' ' ' PCW . . . . . 0.533 ' C35' ' C37' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 608' ' ' PCW . . . . . 0.541 ' O1P' ' C22' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 609' ' ' PCW . . . . . 0.493 ' C11' ' O31' ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 610' ' ' PCW . . . . . 0.601 ' C20' ' C24' ' D' ' 610' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 611' ' ' PCW . . . . . 0.584 ' O11' ' C6 ' ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 612' ' ' PCW . . . . . 0.6 ' C32' ' C35' ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 613' ' ' PCW . . . . . 0.763 ' C21' ' C17' ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 614' ' ' PCW . . . . . 0.625 ' C5 ' ' O1P' ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 615' ' ' PCW . . . . . 0.64 ' C46' ' C42' ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 616' ' ' PCW . . . . . 0.482 ' C7 ' ' O11' ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 617' ' ' PCW . . . . . 0.595 ' C3 ' ' O2P' ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 618' ' ' PCW . . . . . 0.667 ' C23' ' C27' ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 619' ' ' PCW . . . . . 0.511 ' C13' ' C32' ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 620' ' ' PCW . . . . . 0.542 ' C6 ' ' O11' ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 621' ' ' PCW . . . . . 0.48 ' C28' ' C21' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 622' ' ' PCW . . . . . 0.518 ' C19' ' O10' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 623' ' ' PCW . . . . . 0.664 ' C32' ' C36' ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 624' ' ' PCW . . . . . 0.654 ' C24' ' C20' ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 625' ' ' PCW . . . . . 0.654 ' C15' ' C19' ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 626' ' ' PCW . . . . . 0.646 ' C23' ' C27' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 627' ' ' PCW . . . . . 0.582 ' C20' ' C35' ' C' ' 217' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 628' ' ' 17F . . . . . 0.628 ' C31' ' C19' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 629' ' ' 17F . . . . . 0.571 ' O10' ' O7 ' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 630' ' ' 17F . . . . . 0.653 ' C9 ' ' C12' ' A' ' 421' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 631' ' ' 17F . . . . . 0.623 ' O10' ' O7 ' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 632' ' ' 17F . . . . . 0.578 ' C6 ' ' O10' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 201' ' ' GSP . . . . . 0.642 ' O3G' 'MG ' ' B' ' 202' ' ' ' MG' . . . . . . . . 0 O4'--C1' 1.436 1.838 2 O4'-C1'-N19 113.094 4.894 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 202' ' ' ' MG' . . . . . 0.642 'MG ' ' O3G' ' B' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 203' ' ' PCW . . . . . 0.593 ' C33' ' C21' ' B' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 204' ' ' PCW . . . . . 0.64 ' C21' ' C17' ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 205' ' ' PCW . . . . . 0.65 ' C3 ' ' O1P' ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 206' ' ' PCW . . . . . 0.559 ' C6 ' ' O4P' ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 207' ' ' PCW . . . . . 0.594 ' C11' ' C31' ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 208' ' ' PCW . . . . . 0.626 ' C43' ' C47' ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 209' ' ' 17F . . . . . 0.67 ' C31' ' C19' ' B' ' 209' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 210' ' ' 17F . . . . . 0.595 ' N1 ' ' O1P' ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 211' ' ' 17F . . . . . 0.442 ' O2 ' ' C2 ' ' B' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 201' ' ' GSP . . . . . 0.597 ' O3G' 'MG ' ' C' ' 202' ' ' ' MG' . . . . . . . . 0 O4'--C1' 1.438 1.984 2 O4'-C1'-N19 113.464 5.264 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 202' ' ' ' MG' . . . . . 0.597 'MG ' ' O3G' ' C' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 203' ' ' PCW . . . . . 0.63 ' C21' ' C25' ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 204' ' ' PCW . . . . . 0.664 ' C42' ' C46' ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 205' ' ' PCW . . . . . 0.408 ' O4P' ' C8 ' ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 206' ' ' PCW . . . . . 0.515 ' C18' ' C17' ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 207' ' ' PCW . . . . . 0.464 ' O31' ' C1 ' ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 208' ' ' PCW . . . . . 0.537 ' O3 ' ' O31' ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 209' ' ' PCW . . . . . 0.671 ' C22' ' C26' ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 210' ' ' PCW . . . . . 0.64 ' C26' ' C22' ' C' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 211' ' ' PCW . . . . . 0.583 ' C5 ' ' C1 ' ' C' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 212' ' ' PCW . . . . . 0.66 ' C20' ' C24' ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 213' ' ' 17F . . . . . 0.451 ' O1 ' ' C7 ' ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 214' ' ' 17F . . . . . 0.523 ' O9 ' ' C14' ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 215' ' ' 17F . . . . . 0.616 ' N1 ' ' O2 ' ' C' ' 215' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 216' ' ' PCW . . . . . 0.501 ' C1 ' ' O31' ' C' ' 216' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 217' ' ' PCW . . . . . 0.582 ' C35' ' C20' ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 218' ' ' 17F . . . . . 0.653 ' O7 ' ' C18' ' C' ' 218' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 219' ' ' 17F . . . . . 0.442 ' O1 ' ' O3P' ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 38.5 mt . . . . . 0 N--CA 1.455 -0.222 0 N-CA-C 110.052 -0.351 . . . . 10.0 110.052 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 5.1 tmtm? -63.24 -47.26 83.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.796 -0.638 . . . . 10.0 111.356 -179.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 36.7 mt -62.59 -36.09 81.59 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.201 0.445 . . . . 10.0 112.201 -179.352 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 71.5 mt -74.99 -52.53 10.89 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.786 0.327 . . . . 10.0 110.968 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -57.82 -44.22 86.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.73 -0.668 . . . . 10.0 112.118 -179.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -74.38 -18.18 60.71 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.071 0.463 . . . . 10.0 111.76 -179.63 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 35.6 t90 -77.67 -28.94 51.32 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.068 0.461 . . . . 10.0 110.146 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -63.61 -36.71 84.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.682 179.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.67 -39.4 94.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.342 179.607 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 40.1 t -68.7 -43.3 83.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 109.53 -0.545 . . . . 10.0 109.53 179.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 23.0 m -61.94 -44.86 95.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.364 -0.835 . . . . 10.0 111.51 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 4.2 p -64.25 -35.51 81.06 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.87 0.367 . . . . 10.0 110.51 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 30.7 m -64.32 -47.28 79.99 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 108.962 -0.755 . . . . 10.0 108.962 178.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -60.85 -38.77 86.68 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.152 -0.476 . . . . 10.0 111.201 179.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 60.5 m -62.35 -49.42 75.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.787 0.327 . . . . 10.0 110.412 178.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 41.9 mttt -65.52 -35.25 80.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.893 0.378 . . . . 10.0 110.33 179.114 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 58.9 mt -63.11 -40.92 99.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 10.0 109.916 178.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 78.3 mtt180 -67.89 -34.78 77.31 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.521 -0.309 . . . . 10.0 110.506 179.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -66.52 -31.44 72.17 Favored 'General case' 0 C--O 1.225 -0.219 0 N-CA-C 108.969 -0.752 . . . . 10.0 108.969 178.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -82.28 -31.1 30.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.354 -0.839 . . . . 10.0 109.737 178.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 38.9 mt -59.29 -33.73 71.44 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.426 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -53.87 -67.03 2.36 Favored Glycine 0 C--N 1.335 0.493 0 N-CA-C 110.717 -0.953 . . . . 10.0 110.717 177.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -56.44 -42.12 68.96 Favored 'Trans proline' 0 N--CA 1.464 -0.252 0 C-N-CA 122.475 2.117 . . . . 10.0 110.87 177.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 15.5 t -53.74 -51.42 44.04 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.145 0 CA-C-N 116.552 -0.295 . . . . 10.0 111.152 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 17.7 p -66.5 -37.4 84.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.737 0.303 . . . . 10.0 110.739 179.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -63.54 -52.88 59.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.413 -0.358 . . . . 10.0 110.75 179.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -60.53 -44.22 96.3 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.339 0.59 . . . . 10.0 109.9 179.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -63.17 -48.07 79.95 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.567 -0.742 . . . . 10.0 110.77 179.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -62.48 -39.35 93.17 Favored 'General case' 0 C--N 1.331 -0.219 0 O-C-N 123.435 0.46 . . . . 10.0 110.284 179.61 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -61.07 -45.65 93.9 Favored 'General case' 0 C--O 1.237 0.417 0 N-CA-C 109.141 -0.688 . . . . 10.0 109.141 178.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -64.26 -40.64 96.42 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.463 -0.79 . . . . 10.0 109.612 178.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 95.8 mt -61.78 -35.94 79.61 Favored 'General case' 0 N--CA 1.461 0.086 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.152 178.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -63.55 -37.89 89.04 Favored 'General case' 0 CA--C 1.52 -0.19 0 N-CA-C 109.765 -0.458 . . . . 10.0 109.765 178.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 68.6 mttt -73.49 -37.89 65.58 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.529 -0.545 . . . . 10.0 109.529 178.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.62 -46.83 83.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.521 -0.763 . . . . 10.0 109.871 179.544 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 21.4 p -72.18 -28.41 63.2 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.888 -0.596 . . . . 10.0 110.343 179.156 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.86 -45.63 91.67 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 108.506 -0.924 . . . . 10.0 108.506 178.538 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -63.01 -41.77 99.82 Favored Glycine 0 N--CA 1.44 -1.05 0 N-CA-C 110.287 -1.125 . . . . 10.0 110.287 178.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 87.4 mt -64.52 -38.12 89.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.66 0.267 . . . . 10.0 110.479 179.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 18.8 mtm180 -65.69 -38.42 89.2 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 110.097 -0.335 . . . . 10.0 110.097 178.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -69.23 -39.95 78.22 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.227 -0.657 . . . . 10.0 109.227 178.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -73.62 -18.76 61.01 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.685 -0.689 . . . . 10.0 111.001 179.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 42.6 ttm -62.59 -30.3 71.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.374 0.607 . . . . 10.0 109.476 178.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.41 4.55 20.52 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.513 -0.767 . . . . 10.0 110.335 179.121 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 41.4 mttm -127.15 -63.87 1.03 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.343 -0.39 . . . . 10.0 110.179 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 246' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.47 -50.08 60.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.465 -0.789 . . . . 10.0 111.667 -179.377 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . 94.6 mt -87.07 -37.0 17.83 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.428 0.529 . . . . 10.0 112.428 -179.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -65.88 -51.53 57.98 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.795 0.331 . . . . 10.0 111.472 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -68.64 -33.93 74.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.525 -0.307 . . . . 10.0 111.215 -179.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 250' ' ' VAL . . . . . . . . . . . . . 1.1 p -64.25 -33.81 64.98 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.169 0 C-N-CA 120.394 -0.522 . . . . 10.0 110.192 179.273 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -82.3 -40.75 21.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.556 179.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -62.04 -37.55 85.35 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.761 -0.459 . . . . 10.0 109.761 179.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -89.08 -18.56 27.02 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.627 -0.715 . . . . 10.0 111.732 179.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 254' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.83 -27.54 42.7 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 C-N-CA 120.753 -0.379 . . . . 10.0 110.74 -179.594 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -65.67 -62.02 5.0 Favored Pre-proline 0 CA--C 1.535 0.368 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.625 178.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -61.77 -34.71 82.4 Favored 'Trans proline' 0 C--N 1.356 0.958 0 C-N-CA 121.69 1.593 . . . . 10.0 111.528 178.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 6.2 m-30 -62.23 -51.27 68.44 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.928 0.394 . . . . 10.0 110.474 179.379 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 22.9 mt -69.3 -39.46 78.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.953 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -60.77 -45.42 94.4 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.346 -0.388 . . . . 10.0 110.528 179.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -66.85 -50.64 61.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.223 -0.444 . . . . 10.0 111.211 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -63.89 -48.04 78.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.291 -0.413 . . . . 10.0 112.104 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -64.0 -30.59 71.65 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.6 0.238 . . . . 10.0 110.444 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 23.1 ttmt -63.18 -47.72 81.41 Favored 'General case' 0 CA--C 1.52 -0.195 0 N-CA-C 109.048 -0.723 . . . . 10.0 109.048 178.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 264' ' ' LYS . . . . . . . . . . . . . 70.5 mttt -69.51 -39.17 77.74 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.182 -0.917 . . . . 10.0 110.395 178.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 20.7 m95 -64.17 -36.02 82.68 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.484 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -63.74 -43.65 95.84 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 108.741 -0.837 . . . . 10.0 108.741 177.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -64.16 -39.35 93.82 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 109.079 -0.712 . . . . 10.0 109.079 178.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -58.64 -45.45 89.24 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.936 -0.574 . . . . 10.0 109.499 178.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 92.3 mmm -68.44 -43.14 77.72 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.513 -0.767 . . . . 10.0 110.613 179.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -60.59 -53.52 56.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.297 -0.41 . . . . 10.0 110.155 179.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 32.7 mt -59.33 -38.92 81.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.339 -0.391 . . . . 10.0 110.417 179.384 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -61.2 -50.65 72.28 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.128 178.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -66.58 -31.09 71.57 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.326 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 -67.79 -24.34 65.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.171 0.51 . . . . 10.0 109.954 178.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 275' ' ' LYS . . . . . . . . . . . . . 10.2 mptt -96.31 -38.8 9.94 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.564 -0.743 . . . . 10.0 110.322 178.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 13.9 t -48.71 -49.21 14.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 N-CA-C 112.685 0.624 . . . . 10.0 112.685 -179.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 69.0 mt-10 -58.52 -60.71 9.45 Favored Pre-proline 0 CA--C 1.537 0.468 0 N-CA-C 113.427 0.899 . . . . 10.0 113.427 -179.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -63.37 -39.91 34.64 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 121.893 1.729 . . . . 10.0 112.466 179.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 279' ' ' LEU . . . . . . . . . . . . . 37.7 mt -65.4 -41.22 93.86 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 121.209 -0.196 . . . . 10.0 110.961 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 -64.85 -32.16 73.72 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.35 -0.611 . . . . 10.0 109.35 178.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -65.45 -44.07 88.41 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.298 -0.63 . . . . 10.0 109.298 178.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -63.18 -46.21 88.17 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 115.59 -0.732 . . . . 10.0 109.235 178.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 81.1 mt -66.02 -31.57 72.53 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.665 179.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -67.07 -48.66 67.56 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 109.2 -0.667 . . . . 10.0 109.2 179.117 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -67.12 -40.04 86.75 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.406 -0.59 . . . . 10.0 109.406 178.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -61.33 -46.05 95.22 Favored Glycine 0 N--CA 1.443 -0.887 0 N-CA-C 110.577 -1.009 . . . . 10.0 110.577 178.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -64.04 -38.76 92.23 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.845 -0.428 . . . . 10.0 109.845 178.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -58.26 -55.54 33.62 Favored 'General case' 0 C--O 1.223 -0.327 0 N-CA-C 109.447 -0.575 . . . . 10.0 109.447 178.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -60.95 -48.13 83.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.774 -0.648 . . . . 10.0 111.583 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 50.5 mttp -59.48 -42.39 91.99 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.646 0.26 . . . . 10.0 111.622 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 81.0 mt -74.99 -36.4 62.0 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.447 -0.342 . . . . 10.0 110.71 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -62.93 -46.64 86.84 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 109.387 -0.597 . . . . 10.0 109.387 178.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.81 -38.5 82.14 Favored 'General case' 0 N--CA 1.456 -0.165 0 O-C-N 123.739 0.649 . . . . 10.0 109.748 178.397 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 19.7 mt -65.44 -46.9 78.06 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 115.912 -0.586 . . . . 10.0 109.933 178.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -64.23 -30.63 71.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.162 -0.472 . . . . 10.0 111.244 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -63.38 -19.41 64.63 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.059 -0.518 . . . . 10.0 110.069 178.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -107.08 -38.19 6.09 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.638 -0.71 . . . . 10.0 110.191 178.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 72.5 mt -55.52 -27.03 46.33 Favored 'General case' 0 N--CA 1.462 0.161 0 C-N-CA 122.537 0.335 . . . . 10.0 111.851 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 299' ' ' SER . . . . . . . . . . . . . 5.0 m -79.31 -64.86 0.32 Allowed Pre-proline 0 CA--C 1.54 0.594 0 N-CA-C 111.887 0.328 . . . . 10.0 111.887 179.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 300' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -63.57 -43.82 16.05 Favored 'Trans proline' 0 C--N 1.355 0.904 0 C-N-CA 122.164 1.909 . . . . 10.0 112.183 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 80.8 mt -71.99 -27.69 62.92 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.76 -0.459 . . . . 10.0 109.76 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -69.68 -52.88 18.34 Favored Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 111.087 -0.805 . . . . 10.0 111.087 179.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -61.97 -39.14 91.13 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 109.33 -0.618 . . . . 10.0 109.33 179.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -63.73 -39.18 93.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.52 -0.764 . . . . 10.0 109.781 178.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 8.2 tpt -65.68 -39.19 91.05 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.816 -0.438 . . . . 10.0 109.816 179.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 45.3 mtt180 -68.26 -43.14 78.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.881 -0.599 . . . . 10.0 109.643 179.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -64.68 -43.25 94.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.801 -0.636 . . . . 10.0 110.417 179.172 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 7.6 mmt180 -65.2 -35.09 79.98 Favored 'General case' 0 CA--C 1.517 -0.307 0 N-CA-C 109.423 -0.584 . . . . 10.0 109.423 178.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -68.24 -31.82 71.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.743 -0.662 . . . . 10.0 109.447 178.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 310' ' ' ARG . . . . . . . . . . . . . 71.7 mtt180 -60.47 -51.48 69.29 Favored 'General case' 0 C--O 1.224 -0.27 0 N-CA-C 108.792 -0.818 . . . . 10.0 108.792 178.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -67.25 -34.25 77.05 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.065 -0.516 . . . . 10.0 109.93 179.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -58.69 -53.09 62.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.408 -0.815 . . . . 10.0 110.07 178.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 26.3 t -76.64 -35.25 25.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.72 -0.673 . . . . 10.0 111.852 -179.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.1 -43.13 99.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.931 0.396 . . . . 10.0 110.002 179.257 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -66.77 -35.53 80.3 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 109.194 -0.669 . . . . 10.0 109.194 178.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 17.2 mt -65.3 -47.11 77.74 Favored 'General case' 0 C--O 1.224 -0.248 0 CA-C-N 115.625 -0.716 . . . . 10.0 109.742 178.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 12.2 mtm105 -61.37 -41.6 97.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.126 0.488 . . . . 10.0 110.147 178.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 93.7 m -60.85 -32.64 72.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.628 -0.715 . . . . 10.0 110.6 179.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 12.2 m80 -87.31 -38.12 16.54 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.275 -0.42 . . . . 10.0 111.024 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 72.9 mt -67.14 -34.52 77.75 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.291 0.478 . . . . 10.0 112.291 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -52.64 -59.24 9.2 Favored Pre-proline 0 CA--C 1.537 0.451 0 N-CA-C 112.466 0.543 . . . . 10.0 112.466 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -70.73 -36.36 8.34 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 121.495 1.463 . . . . 10.0 111.422 179.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 11.0 m-30 -60.15 -45.37 93.3 Favored 'General case' 0 C--N 1.334 -0.086 0 CA-C-N 116.455 -0.339 . . . . 10.0 111.703 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 23.2 p -65.18 -36.01 82.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.785 0.326 . . . . 10.0 110.5 179.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.91 -43.41 79.3 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-O 121.02 0.438 . . . . 10.0 110.204 179.168 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -67.41 -31.77 72.21 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.349 -0.612 . . . . 10.0 109.349 178.061 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 12.3 mt -66.3 -35.56 80.71 Favored 'General case' 0 CA--C 1.519 -0.236 0 N-CA-C 109.116 -0.698 . . . . 10.0 109.116 177.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 -62.89 -40.37 97.32 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.688 -0.856 . . . . 10.0 108.688 178.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -67.09 -39.36 86.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.471 -0.786 . . . . 10.0 109.381 178.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 46.0 mtt-85 -62.38 -54.33 41.92 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 115.815 -0.63 . . . . 10.0 110.016 179.082 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 86.1 mt -60.56 -35.75 76.82 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.651 -0.704 . . . . 10.0 111.292 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -63.59 -51.46 65.2 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.017 179.057 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -60.91 -42.18 97.57 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.274 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 27.1 mmt180 -61.03 -49.64 76.59 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-N 115.753 -0.658 . . . . 10.0 109.86 178.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 16.4 mt -59.37 -43.51 92.86 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 116.27 -0.423 . . . . 10.0 111.433 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -63.79 -43.55 95.98 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.472 -0.331 . . . . 10.0 111.047 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -65.51 -42.75 91.72 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.555 -0.535 . . . . 10.0 109.555 178.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 80.0 mt -65.36 -26.19 67.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.425 -0.807 . . . . 10.0 110.786 179.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 71.3 mttt -82.2 -49.53 10.02 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.847 -0.161 . . . . 10.0 110.86 179.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -59.56 -51.57 69.28 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.159 0.504 . . . . 10.0 110.072 179.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -73.23 -31.3 64.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.795 -0.639 . . . . 10.0 109.8 179.234 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -62.67 -44.64 97.22 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 121.088 -0.577 . . . . 10.0 111.903 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -62.95 -39.23 97.8 Favored Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 110.483 -1.047 . . . . 10.0 110.483 178.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -65.11 -41.77 94.59 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.705 -0.48 . . . . 10.0 109.705 178.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 23.3 mtm180 -65.52 -45.32 83.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.568 -0.742 . . . . 10.0 110.754 179.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 22.0 mt -59.66 -49.59 77.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.416 -0.356 . . . . 10.0 110.615 179.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.88 -41.44 87.13 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.303 179.237 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -65.48 -45.01 85.31 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.563 179.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -66.25 -37.17 84.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.344 -0.389 . . . . 10.0 111.046 179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 32.0 m-70 -63.86 -41.01 97.88 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.201 -0.666 . . . . 10.0 109.201 178.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -67.94 -44.97 75.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.861 -0.609 . . . . 10.0 109.605 178.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 12.8 mtmm -60.52 -40.41 91.32 Favored 'General case' 0 C--O 1.226 -0.182 0 CA-C-N 116.049 -0.523 . . . . 10.0 110.172 179.004 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -62.68 -34.34 76.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.214 -0.448 . . . . 10.0 109.957 178.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 12.8 m -68.31 -37.59 80.74 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.032 -0.729 . . . . 10.0 109.032 178.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -68.94 -34.61 75.64 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.404 -0.591 . . . . 10.0 109.404 178.158 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -73.08 -29.58 63.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.646 -0.706 . . . . 10.0 109.549 178.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 17.9 mt -71.27 -41.99 69.33 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.924 -0.58 . . . . 10.0 111.358 179.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.49 -45.48 92.84 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.005 0.431 . . . . 10.0 110.043 179.605 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 1.9 p -71.26 -29.96 65.72 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.065 179.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 38.7 tp -68.62 -35.01 76.74 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 108.887 -0.783 . . . . 10.0 108.887 177.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 49.5 m -63.03 -32.0 73.27 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.807 -0.633 . . . . 10.0 109.775 178.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -70.63 -20.55 62.72 Favored 'General case' 0 CA--C 1.522 -0.1 0 CA-C-N 115.96 -0.563 . . . . 10.0 109.681 178.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 363' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -91.68 -46.94 7.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.719 -0.673 . . . . 10.0 109.6 179.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -67.19 -31.11 71.29 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.681 -0.69 . . . . 10.0 112.388 -179.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -102.66 -79.2 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.509 0 N-CA-C 113.867 1.062 . . . . 10.0 113.867 -179.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -59.15 -53.27 3.76 Favored 'Trans proline' 0 C--N 1.356 0.923 0 C-N-CA 122.101 1.867 . . . . 10.0 114.052 -178.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 367' ' ' ALA . . . . . . . . . . . . . . . -58.87 -53.52 57.48 Favored 'General case' 0 C--N 1.333 -0.135 0 N-CA-C 111.541 0.2 . . . . 10.0 111.541 -179.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 10.6 mt -60.63 -37.36 81.22 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-N 116.703 -0.226 . . . . 10.0 111.035 179.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.8 -53.18 60.98 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.826 -0.435 . . . . 10.0 109.826 178.657 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -59.78 -40.35 87.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.732 -0.667 . . . . 10.0 110.334 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 96.1 mt -66.46 -41.36 89.17 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.784 -0.644 . . . . 10.0 110.765 179.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -66.82 -44.59 80.78 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.834 -0.432 . . . . 10.0 109.834 179.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -63.92 -29.32 70.51 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.58 -0.737 . . . . 10.0 110.129 179.234 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -83.15 -28.78 35.89 Favored Glycine 0 N--CA 1.449 -0.461 0 N-CA-C 110.981 -0.848 . . . . 10.0 110.981 178.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 9.3 mt -73.45 -28.3 61.88 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 122.24 0.216 . . . . 10.0 111.009 179.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 71.6 mt -53.61 -59.78 8.72 Favored Pre-proline 0 CA--C 1.534 0.356 0 CA-C-N 116.158 -0.474 . . . . 10.0 111.148 179.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -65.34 -26.79 55.73 Favored 'Trans proline' 0 C--N 1.355 0.87 0 C-N-CA 121.774 1.649 . . . . 10.0 111.059 178.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 18.7 t -62.86 -51.22 74.65 Favored 'Isoleucine or valine' 0 C--O 1.231 0.125 0 N-CA-C 108.828 -0.805 . . . . 10.0 108.828 178.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 91.3 mt -61.83 -36.51 81.37 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.256 -0.646 . . . . 10.0 109.256 178.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -62.28 -49.5 75.41 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.493 178.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 7.6 p -65.26 -33.58 76.32 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 120.914 0.387 . . . . 10.0 110.702 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -70.82 -38.84 73.29 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.98 -0.555 . . . . 10.0 111.037 179.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -58.28 -45.47 87.85 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 109.749 -0.463 . . . . 10.0 109.749 178.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 43.0 t -56.58 -48.24 80.78 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.575 179.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 1.6 p -65.04 -35.25 80.56 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.312 -0.404 . . . . 10.0 111.928 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -69.63 -40.41 76.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.696 0.284 . . . . 10.0 110.746 179.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 53.2 mt -61.16 -46.66 89.6 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.84 179.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 2.0 p -69.16 -36.11 77.03 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 120.838 0.351 . . . . 10.0 110.836 179.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -58.94 -48.7 80.57 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.688 179.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 97.4 mt -61.09 -36.16 78.94 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.454 179.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -68.79 -45.24 71.81 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.956 -0.566 . . . . 10.0 110.134 179.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -56.98 -39.89 75.48 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.077 0.465 . . . . 10.0 110.358 179.024 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -64.82 -47.86 76.47 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.833 -0.621 . . . . 10.0 110.586 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 10.0 m -68.49 -26.44 65.47 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 112.205 0.446 . . . . 10.0 112.205 -179.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -81.16 -30.92 34.32 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.076 0.399 . . . . 10.0 112.076 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -99.6 -47.4 5.11 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 113.414 0.894 . . . . 10.0 113.414 -178.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 69.7 mt -83.38 -6.48 59.48 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.349 0.5 . . . . 10.0 112.349 -178.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 54.7 t30 . . . . . 0 C--N 1.325 -0.498 0 CA-C-O 120.594 0.235 . . . . 10.0 110.872 -179.949 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 3.0 mm? . . . . . 0 N--CA 1.462 0.147 0 CA-C-O 120.897 0.38 . . . . 10.0 110.408 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.91 18.2 22.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.562 -179.609 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 91.6 mt -66.52 -23.52 66.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.856 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 58.7 mt -64.33 -42.15 96.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.035 -0.529 . . . . 10.0 109.681 179.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -67.8 -36.55 80.62 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.522 -0.763 . . . . 10.0 109.686 179.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -64.66 -45.41 86.88 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.872 -0.788 . . . . 10.0 108.872 178.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -64.09 -36.57 84.45 Favored 'General case' 0 N--CA 1.456 -0.135 0 CA-C-N 115.414 -0.812 . . . . 10.0 110.542 179.587 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -63.11 -44.1 96.59 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.069 0.461 . . . . 10.0 109.85 178.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 40.1 m -61.76 -34.83 76.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.741 -0.663 . . . . 10.0 110.317 178.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 93.2 t -72.34 -42.61 65.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.263 0.554 . . . . 10.0 109.799 178.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 41.5 m -63.44 -39.64 95.01 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.892 -0.595 . . . . 10.0 110.016 179.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 50.7 m -63.74 -43.97 94.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.597 178.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -68.33 -32.83 73.23 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.814 0.34 . . . . 10.0 110.544 179.363 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 5.2 m-30 -66.68 -38.2 86.3 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.045 -0.724 . . . . 10.0 109.045 178.093 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 22.4 m -68.16 -37.17 80.73 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 108.799 -0.815 . . . . 10.0 108.799 178.091 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 38.4 mmtt -66.99 -27.21 67.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.028 178.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 68.7 mt -68.91 -38.22 79.43 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 108.513 -0.921 . . . . 10.0 108.513 177.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 71.5 mtt180 -66.31 -32.97 74.69 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.416 -0.811 . . . . 10.0 109.824 178.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -62.49 -26.42 68.53 Favored 'General case' 0 C--O 1.226 -0.157 0 CA-C-N 115.606 -0.724 . . . . 10.0 109.354 178.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -90.78 -50.7 5.75 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.565 -0.743 . . . . 10.0 109.106 178.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 95.9 mt -46.14 -43.86 15.31 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.603 -0.726 . . . . 10.0 112.212 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -57.11 -76.76 0.19 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 121.093 -0.575 . . . . 10.0 112.458 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -54.76 -43.09 62.5 Favored 'Trans proline' 0 C--O 1.234 0.291 0 C-N-CA 123.191 2.594 . . . . 10.0 113.135 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 46.6 t -56.23 -50.67 69.87 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.369 0 N-CA-C 111.995 0.368 . . . . 10.0 111.995 -179.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 39.5 p -65.58 -35.54 81.14 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.697 -0.401 . . . . 10.0 111.118 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -57.06 -49.54 75.53 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.033 -0.531 . . . . 10.0 110.434 179.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -81.55 -25.2 36.05 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.916 -0.584 . . . . 10.0 111.139 179.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -65.18 -42.78 93.3 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.831 -0.433 . . . . 10.0 109.831 179.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 10.3 m95 -66.94 -36.04 81.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.966 -0.561 . . . . 10.0 109.534 178.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -67.94 -37.42 81.61 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.515 -0.92 . . . . 10.0 108.515 178.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -65.08 -43.96 90.44 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 115.292 -0.867 . . . . 10.0 108.665 177.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 96.8 mt -59.09 -36.33 74.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.274 -0.875 . . . . 10.0 110.136 179.169 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -66.1 -42.36 89.39 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.219 178.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 36.7 mttp -63.69 -40.95 98.06 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 108.957 -0.757 . . . . 10.0 108.957 178.366 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -65.0 -46.93 79.35 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.493 -0.776 . . . . 10.0 110.361 178.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 1.7 p -65.72 -47.07 76.59 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-N 116.692 -0.231 . . . . 10.0 111.448 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -61.37 -42.19 98.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.683 0.278 . . . . 10.0 110.326 178.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -63.95 -49.32 68.41 Favored Glycine 0 N--CA 1.446 -0.64 0 N-CA-C 110.314 -1.114 . . . . 10.0 110.314 178.304 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 11.4 mt -60.27 -34.76 74.17 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-O 120.514 0.197 . . . . 10.0 110.791 178.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 71.2 mtt180 -66.25 -36.77 83.87 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.689 -0.485 . . . . 10.0 109.689 178.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -70.93 -34.1 71.16 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.275 0.56 . . . . 10.0 109.628 178.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -73.82 -47.86 35.48 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.504 -0.771 . . . . 10.0 109.965 178.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 96.8 mmm -72.07 -24.79 61.57 Favored 'General case' 0 C--O 1.225 -0.209 0 N-CA-C 113.453 0.909 . . . . 10.0 113.453 -178.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 2.8 p -64.08 -56.72 12.94 Favored 'General case' 0 CA--C 1.512 -0.489 0 C-N-CA 120.168 -0.613 . . . . 10.0 109.727 179.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 22.4 mtpp -62.89 -35.02 78.66 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.479 -0.563 . . . . 10.0 109.479 178.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -63.08 -54.41 38.48 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.481 -0.781 . . . . 10.0 110.729 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 89.6 mt -67.87 -42.92 80.56 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.336 -0.393 . . . . 10.0 111.922 -179.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 446' ' ' GLU . . . . . 0.41 ' CD ' ' HZ1' ' D' ' 449' ' ' LYS . 22.2 mm-40 -61.7 -49.63 75.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.77 0.319 . . . . 10.0 110.737 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 447' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -70.71 -23.49 62.47 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 116.366 -0.379 . . . . 10.0 110.214 179.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 1.2 t -64.2 -34.81 71.32 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.146 0 N-CA-C 109.125 -0.694 . . . . 10.0 109.125 178.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 449' ' ' LYS . . . . . 0.41 ' HZ1' ' CD ' ' D' ' 446' ' ' GLU . 85.6 mttt -66.31 -33.56 76.01 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 108.797 -0.816 . . . . 10.0 108.797 178.373 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -86.13 -0.96 56.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.057 -0.974 . . . . 10.0 110.619 179.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 33.2 mmtm -105.65 -52.74 2.77 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.065 -0.516 . . . . 10.0 109.899 179.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 90.8 t -58.25 -42.86 84.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.183 -0.462 . . . . 10.0 111.965 -179.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -56.69 -62.19 5.47 Favored Pre-proline 0 C--N 1.327 -0.389 0 N-CA-C 112.737 0.643 . . . . 10.0 112.737 -179.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -66.01 -32.47 44.22 Favored 'Trans proline' 0 C--N 1.353 0.79 0 C-N-CA 122.028 1.819 . . . . 10.0 111.95 179.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -63.3 -47.71 81.16 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 110.156 -0.313 . . . . 10.0 110.156 178.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 23.6 mt -71.11 -31.66 68.04 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 116.396 -0.365 . . . . 10.0 110.304 179.38 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -64.72 -48.73 73.55 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.124 -0.695 . . . . 10.0 109.124 178.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 458' ' ' ASP . . . . . 0.443 ' CG ' ' HZ2' ' D' ' 462' ' ' LYS . 35.3 t70 -68.39 -34.6 76.32 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.688 -0.687 . . . . 10.0 109.873 179.145 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.14 -41.61 85.78 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.618 -0.719 . . . . 10.0 109.43 178.755 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -62.23 -41.31 98.29 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 115.835 -0.62 . . . . 10.0 109.727 178.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 67.3 mttt -61.22 -41.99 97.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.939 -0.573 . . . . 10.0 109.59 178.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 462' ' ' LYS . . . . . 0.443 ' HZ2' ' CG ' ' D' ' 458' ' ' ASP . 3.8 mtmm -68.68 -35.61 77.43 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.829 178.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 30.9 m0 -64.95 -43.06 93.96 Favored 'General case' 0 CA--C 1.52 -0.197 0 N-CA-C 108.642 -0.873 . . . . 10.0 108.642 177.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -62.42 -43.57 98.51 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 115.595 -0.73 . . . . 10.0 109.405 178.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 465' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -56.65 -48.94 76.45 Favored 'General case' 0 CA--C 1.521 -0.172 0 N-CA-C 108.915 -0.772 . . . . 10.0 108.915 178.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.25 -40.54 96.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.765 -0.652 . . . . 10.0 110.718 179.274 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 61.1 mtt -62.53 -47.43 83.94 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 109.779 -0.452 . . . . 10.0 109.779 179.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -64.8 -43.08 94.33 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.707 -0.679 . . . . 10.0 109.803 178.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 469' ' ' LEU . . . . . . . . . . . . . 30.5 mt -61.65 -42.66 99.21 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.492 179.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 -63.79 -29.14 70.38 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.387 -0.37 . . . . 10.0 111.259 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 64.1 mtt85 -77.23 -20.81 54.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.218 0.533 . . . . 10.0 110.169 178.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -105.04 0.88 28.03 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.416 0.627 . . . . 10.0 109.767 179.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 473' ' ' LYS . . . . . . . . . . . . . 4.5 mptt -121.31 -80.7 0.63 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.239 -0.891 . . . . 10.0 110.105 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 8.5 t -53.42 -44.48 55.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.909 -0.587 . . . . 10.0 112.552 -178.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -59.81 -59.2 14.6 Favored Pre-proline 0 CA--C 1.535 0.398 0 N-CA-C 112.246 0.462 . . . . 10.0 112.246 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -63.66 -38.29 41.55 Favored 'Trans proline' 0 C--N 1.355 0.902 0 C-N-CA 121.98 1.787 . . . . 10.0 111.348 178.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 45.6 mt -64.06 -34.3 77.7 Favored 'General case' 0 C--O 1.22 -0.489 0 N-CA-C 109.624 -0.51 . . . . 10.0 109.624 178.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 2.2 mtt-85 -59.23 -35.64 74.03 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.062 -0.718 . . . . 10.0 109.062 178.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -73.55 -47.57 39.76 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.742 -0.663 . . . . 10.0 109.969 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.44 -40.63 97.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.365 -0.379 . . . . 10.0 110.689 179.306 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 90.9 mt -69.61 -33.8 73.19 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.504 -0.554 . . . . 10.0 109.504 178.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -66.6 -41.96 87.63 Favored 'General case' 0 CA--C 1.52 -0.204 0 N-CA-C 108.348 -0.982 . . . . 10.0 108.348 178.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -64.34 -43.62 94.05 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.342 -0.984 . . . . 10.0 108.342 178.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -63.16 -36.69 93.78 Favored Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 115.29 -0.868 . . . . 10.0 111.119 178.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -67.9 -39.74 83.57 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 109.673 -0.491 . . . . 10.0 109.673 178.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 74.0 mtt180 -64.96 -39.98 94.31 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.188 -0.671 . . . . 10.0 109.188 178.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -64.49 -48.71 74.17 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 108.79 -0.818 . . . . 10.0 108.79 178.079 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -59.39 -44.05 92.84 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.455 -0.793 . . . . 10.0 110.06 178.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 15.7 mt -61.78 -43.12 99.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.453 . . . . 10.0 109.802 178.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 6.5 t-160 -63.19 -47.99 80.24 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.862 -0.792 . . . . 10.0 108.862 179.021 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -55.1 -45.13 75.44 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.69 -0.686 . . . . 10.0 110.076 178.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 83.9 mt -68.03 -50.32 56.11 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.945 -0.57 . . . . 10.0 111.345 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -56.04 -40.49 73.58 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 112.409 0.522 . . . . 10.0 112.409 -179.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -68.24 -8.91 43.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.91 0.386 . . . . 10.0 111.442 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 495' ' ' LYS . . . . . . . . . . . . . 25.7 mttp -112.4 -25.91 8.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.082 0.468 . . . . 10.0 110.001 178.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 95.8 mt -70.12 -35.33 74.02 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.222 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 497' ' ' SER . . . . . . . . . . . . . 16.0 m -69.48 -59.63 4.68 Favored Pre-proline 0 CA--C 1.541 0.625 0 N-CA-C 112.163 0.431 . . . . 10.0 112.163 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 498' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -69.28 -60.17 0.08 OUTLIER 'Trans proline' 0 C--N 1.353 0.79 0 C-N-CA 121.814 1.676 . . . . 10.0 112.91 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 499' ' ' LEU . . . . . . . . . . . . . 56.4 mt -65.02 -34.9 79.55 Favored 'General case' 0 C--O 1.223 -0.296 0 N-CA-C 112.344 0.498 . . . . 10.0 112.344 -178.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -61.95 -44.44 97.81 Favored Glycine 0 N--CA 1.45 -0.371 0 N-CA-C 110.582 -1.007 . . . . 10.0 110.582 179.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -73.75 -34.79 64.89 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 109.513 -0.551 . . . . 10.0 109.513 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 502' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -63.79 -43.93 94.86 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.381 -0.6 . . . . 10.0 109.381 178.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 86.4 mmm -62.14 -36.25 81.23 Favored 'General case' 0 CA--C 1.516 -0.363 0 N-CA-C 108.975 -0.75 . . . . 10.0 108.975 178.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 -64.21 -45.91 86.2 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 108.818 -0.808 . . . . 10.0 108.818 177.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -60.38 -39.21 86.45 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.13 0.491 . . . . 10.0 109.819 178.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 506' ' ' ARG . . . . . . . . . . . . . 46.9 mtt180 -62.38 -50.06 73.06 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 108.387 -0.968 . . . . 10.0 108.387 178.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -58.46 -41.93 86.3 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.113 -0.949 . . . . 10.0 110.44 179.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 508' ' ' ARG . . . . . . . . . . . . . 80.1 mtt180 -60.18 -44.48 95.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.119 -0.492 . . . . 10.0 109.843 178.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -66.44 -34.19 77.39 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.713 179.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 28.7 m-70 -72.65 -43.64 62.92 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.086 -0.506 . . . . 10.0 110.0 178.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 37.4 t -65.04 -40.66 89.76 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 N-CA-C 108.951 -0.759 . . . . 10.0 108.951 178.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -60.98 -42.04 97.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.362 -0.835 . . . . 10.0 109.459 178.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -63.41 -46.3 87.02 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 109.042 -0.725 . . . . 10.0 109.042 178.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 514' ' ' LEU . . . . . . . . . . . . . 90.3 mt -59.25 -26.28 64.77 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.182 -0.463 . . . . 10.0 111.512 179.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 515' ' ' ARG . . . . . . . . . . . . . 86.6 mtt180 -69.19 -27.39 65.46 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 109.549 -0.538 . . . . 10.0 109.549 178.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 1.3 m -107.92 2.08 23.1 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.368 0.604 . . . . 10.0 110.265 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 28.9 m170 -113.69 -61.93 1.67 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.184 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 61.5 mt -74.07 -46.97 39.73 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.236 0.458 . . . . 10.0 112.236 -178.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 519' ' ' ALA . . . . . . . . . . . . . . . -55.61 -57.66 19.86 Favored Pre-proline 0 C--N 1.327 -0.393 0 N-CA-C 112.866 0.691 . . . . 10.0 112.866 -179.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 520' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -61.97 -38.14 60.03 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 122.01 1.807 . . . . 10.0 111.354 179.232 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -66.37 -30.14 70.47 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-O 120.817 0.342 . . . . 10.0 110.623 179.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 69.0 m -67.36 -34.24 76.9 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 108.746 -0.835 . . . . 10.0 108.746 178.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -70.54 -37.74 74.11 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 109.046 -0.724 . . . . 10.0 109.046 178.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.18 -42.85 99.44 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 108.224 -1.028 . . . . 10.0 108.224 177.214 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 49.2 mt -63.91 -32.98 74.7 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 115.266 -0.879 . . . . 10.0 110.013 178.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 526' ' ' ARG . . . . . . . . . . . . . 65.4 mtt180 -65.58 -42.22 92.0 Favored 'General case' 0 C--N 1.334 -0.087 0 N-CA-C 109.541 -0.541 . . . . 10.0 109.541 178.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -62.38 -43.34 99.05 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 109.008 -0.738 . . . . 10.0 109.008 178.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 528' ' ' ARG . . . . . . . . . . . . . 66.5 mtt180 -69.01 -37.14 78.5 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.991 -1.004 . . . . 10.0 110.417 179.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 1.7 mt -61.62 -42.71 99.26 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.367 -0.605 . . . . 10.0 109.367 178.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -60.29 -48.1 83.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.862 -0.608 . . . . 10.0 110.646 179.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -65.55 -46.42 79.6 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 116.024 -0.535 . . . . 10.0 110.367 179.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 5.2 ttm180 -58.79 -48.14 82.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.874 -0.603 . . . . 10.0 109.392 179.088 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 47.3 mt -61.64 -39.1 90.1 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.629 179.184 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -60.04 -43.71 95.15 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.945 -0.391 . . . . 10.0 109.945 178.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -64.83 -40.24 94.86 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.728 -0.669 . . . . 10.0 109.513 178.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 52.0 mt -68.68 -35.82 77.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.857 -0.61 . . . . 10.0 110.654 179.379 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 42.2 mtmt -71.11 -39.39 72.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.122 0.487 . . . . 10.0 109.834 179.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -66.45 -49.28 67.23 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.732 -0.667 . . . . 10.0 109.608 179.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -67.18 -43.7 81.52 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.443 -0.798 . . . . 10.0 110.492 179.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -64.23 -40.27 97.82 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 111.452 -0.659 . . . . 10.0 111.452 179.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -66.11 -38.23 93.77 Favored Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 110.987 -0.845 . . . . 10.0 110.987 178.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -69.93 -48.93 56.58 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 108.693 -0.854 . . . . 10.0 108.693 178.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 53.2 mtt180 -60.8 -25.22 66.4 Favored 'General case' 0 C--O 1.217 -0.634 0 CA-C-N 115.6 -0.727 . . . . 10.0 110.591 179.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 5.9 mt -65.0 -47.7 76.58 Favored 'General case' 0 CA--C 1.518 -0.267 0 N-CA-C 109.676 -0.49 . . . . 10.0 109.676 178.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -69.1 -39.27 79.07 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.875 -0.602 . . . . 10.0 109.47 178.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -62.45 -51.9 65.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.426 -0.807 . . . . 10.0 110.002 179.04 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 14.6 m-30 -61.88 -38.07 86.93 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.549 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 3.6 m170 -63.95 -45.47 88.98 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.043 0.449 . . . . 10.0 110.107 179.091 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -61.25 -48.55 80.92 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.542 -0.54 . . . . 10.0 109.542 178.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.81 -38.3 90.15 Favored 'General case' 0 C--O 1.219 -0.54 0 CA-C-N 115.713 -0.676 . . . . 10.0 110.695 179.427 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -64.38 -40.79 96.51 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 110.086 -0.339 . . . . 10.0 110.086 179.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 21.4 m -65.78 -44.19 86.54 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.042 -0.725 . . . . 10.0 109.042 178.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -65.08 -45.35 85.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.719 -0.673 . . . . 10.0 110.416 179.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 24.3 t60 -61.58 -34.67 76.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.117 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 15.1 tp -71.39 -38.41 71.5 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 116.275 -0.42 . . . . 10.0 110.551 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -42.91 96.68 Favored 'General case' 0 C--O 1.225 -0.185 0 C-N-CA 120.976 -0.29 . . . . 10.0 110.339 178.798 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.52 -33.4 75.0 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 109.623 -0.51 . . . . 10.0 109.623 178.54 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 16.0 mt -62.57 -46.29 89.03 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.713 -0.676 . . . . 10.0 109.933 178.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.06 -35.73 61.84 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.727 0.298 . . . . 10.0 110.624 179.753 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -60.15 -28.47 67.93 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.128 178.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -97.04 -39.1 9.5 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.806 -0.634 . . . . 10.0 110.904 179.08 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -61.36 -43.99 97.93 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 112.414 0.524 . . . . 10.0 112.414 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -54.41 -62.1 4.53 Favored Pre-proline 0 CA--C 1.536 0.437 0 N-CA-C 112.238 0.458 . . . . 10.0 112.238 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.22 -31.53 44.23 Favored 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 121.983 1.789 . . . . 10.0 111.861 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -65.69 -47.37 75.64 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 109.895 -0.409 . . . . 10.0 109.895 178.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 28.1 mt -59.95 -48.79 80.24 Favored 'General case' 0 CA--C 1.516 -0.355 0 N-CA-C 109.224 -0.658 . . . . 10.0 109.224 178.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -58.45 -53.17 61.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.84 -0.618 . . . . 10.0 110.9 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.55 -45.6 93.46 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.091 -0.504 . . . . 10.0 111.797 -179.543 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 26.9 mt -63.6 -38.64 91.9 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.809 -0.178 . . . . 10.0 111.02 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -66.39 -45.77 78.93 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.625 -0.509 . . . . 10.0 109.625 178.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -67.68 -20.82 65.34 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.968 -0.56 . . . . 10.0 111.063 179.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -88.47 -42.1 5.91 Favored Glycine 0 N--CA 1.443 -0.839 0 N-CA-C 110.668 -0.973 . . . . 10.0 110.668 178.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 19.8 mt -64.11 -28.12 69.55 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 122.276 0.231 . . . . 10.0 111.033 179.402 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 34.5 mt -54.6 -64.24 2.14 Favored Pre-proline 0 CA--C 1.536 0.417 0 O-C-N 123.111 0.257 . . . . 10.0 111.579 179.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -70.83 -30.06 17.88 Favored 'Trans proline' 0 C--N 1.355 0.883 0 C-N-CA 121.692 1.595 . . . . 10.0 111.612 179.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 16.8 t -63.99 -48.33 86.49 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-N 116.833 -0.167 . . . . 10.0 110.66 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 36.5 mt -63.37 -39.33 94.23 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 110.264 -0.273 . . . . 10.0 110.264 179.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -64.51 -43.41 94.16 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 109.647 -0.501 . . . . 10.0 109.647 178.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 69.3 m -61.94 -42.02 98.63 Favored 'General case' 0 CA--C 1.528 0.134 0 N-CA-C 109.42 -0.585 . . . . 10.0 109.42 178.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -63.51 -43.42 97.27 Favored 'General case' 0 C--N 1.334 -0.066 0 CA-C-N 115.593 -0.73 . . . . 10.0 110.616 179.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -58.48 -42.58 87.84 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.681 -0.488 . . . . 10.0 109.681 178.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 69.4 t -61.46 -48.75 87.39 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-N 115.824 -0.626 . . . . 10.0 110.173 178.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 13.8 p -63.25 -41.01 99.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.374 -0.376 . . . . 10.0 111.292 179.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -66.88 -45.04 79.31 Favored 'General case' 0 CA--C 1.523 -0.065 0 CA-C-N 116.493 -0.321 . . . . 10.0 111.013 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 34.3 mt -59.7 -46.08 90.15 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.867 0.365 . . . . 10.0 110.361 179.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 11.3 m -66.86 -32.25 73.4 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.843 179.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -72.16 -51.89 19.17 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.821 0.344 . . . . 10.0 110.776 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 82.1 mt -64.06 -41.42 97.38 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.261 -179.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -58.7 -47.67 83.77 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.055 -0.521 . . . . 10.0 111.089 -179.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -72.37 -31.57 65.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.978 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 1.8 m-30 -62.6 -43.95 97.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.517 -0.31 . . . . 10.0 110.878 179.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 4.1 m -66.86 -19.73 65.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.334 -0.394 . . . . 10.0 110.788 179.175 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -82.87 -43.88 16.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.128 179.111 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -73.73 -43.85 57.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.038 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 23.9 mt -89.81 49.35 1.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.395 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 . . . . . 0 C--N 1.32 -0.697 0 CA-C-N 116.053 -0.521 . . . . 10.0 111.07 -179.532 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 19.7 m . . . . . 0 N--CA 1.451 -0.407 0 CA-C-O 120.942 0.401 . . . . 10.0 110.847 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.22 126.16 49.13 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.001 179.756 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -92.99 142.24 27.51 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.753 0.311 . . . . 10.0 110.387 -179.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -135.6 106.61 6.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.047 179.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -80.53 118.73 22.39 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.075 179.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 mt -123.72 140.27 53.16 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.196 -0.456 . . . . 10.0 111.166 -178.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 21.5 t -119.8 138.04 51.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.147 -0.478 . . . . 10.0 110.422 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 6.1 t -102.09 105.71 18.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.409 -0.359 . . . . 10.0 110.091 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 18.2 m -105.66 150.75 8.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.302 -0.408 . . . . 10.0 111.375 -179.345 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 153.15 171.55 20.55 Favored Glycine 0 N--CA 1.446 -0.69 0 CA-C-N 115.563 -0.744 . . . . 10.0 111.41 -179.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.9 -178.01 4.68 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.115 0.483 . . . . 10.0 110.964 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -86.42 156.81 20.01 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.867 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 72.61 8.9 73.13 Favored Glycine 0 CA--C 1.517 0.187 0 CA-C-N 116.077 -0.51 . . . . 10.0 114.236 179.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 31.4 m -87.37 -28.97 5.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 117.288 0.544 . . . . 10.0 111.942 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.68 34.39 3.07 Favored Glycine 0 CA--C 1.518 0.224 0 C-N-CA 120.564 -0.827 . . . . 10.0 113.366 179.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 42.2 mtmt -63.56 -44.35 94.38 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 122.765 -0.256 . . . . 10.0 111.624 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' SER . . . . . 0.466 ' OG ' ' O3G' ' B' ' 201' ' ' GSP . 0.7 OUTLIER -74.1 -23.63 59.35 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.292 -0.413 . . . . 10.0 111.83 -178.833 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.03 -43.6 98.26 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 110.057 -0.349 . . . . 10.0 110.057 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 58.3 mt -65.64 -38.99 90.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.048 -0.524 . . . . 10.0 110.476 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.87 -46.71 67.73 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.742 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 71.6 mt -64.21 -37.8 80.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.81 179.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -64.83 -32.49 74.21 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.152 0.501 . . . . 10.0 110.707 179.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 17.7 tp -83.77 -40.19 19.1 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.457 -0.338 . . . . 10.0 111.81 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 38.4 mm -83.12 -65.04 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 112.695 0.628 . . . . 10.0 112.695 -178.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -78.25 -19.81 52.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.443 -0.344 . . . . 10.0 111.613 -178.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 71.01 38.06 1.16 Allowed 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 113.347 0.869 . . . . 10.0 113.347 178.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -155.93 177.31 11.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.529 -0.305 . . . . 10.0 110.947 178.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -120.81 130.17 53.87 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.078 0.466 . . . . 10.0 111.395 -179.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 17.4 m -92.14 150.58 3.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.857 -0.611 . . . . 10.0 110.138 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -101.67 -31.05 10.99 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.024 -0.534 . . . . 10.0 110.667 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -75.58 133.2 41.0 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.574 -0.739 . . . . 10.0 111.52 -179.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -76.11 130.59 38.54 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.163 -0.681 . . . . 10.0 109.163 178.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -134.41 109.72 11.37 Favored Pre-proline 0 C--N 1.321 -0.668 0 CA-C-O 120.838 0.351 . . . . 10.0 111.498 -179.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -64.33 99.58 0.3 Allowed 'Trans proline' 0 CA--C 1.53 0.309 0 C-N-CA 122.961 2.441 . . . . 10.0 111.599 179.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' THR . . . . . 0.422 ' OG1' ' O3G' ' B' ' 201' ' ' GSP . 3.1 m -71.35 115.14 10.17 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.165 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 44.2 mm -76.62 -51.44 19.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 108.521 -0.918 . . . . 10.0 108.521 178.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -179.77 103.85 0.03 OUTLIER 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 115.064 -0.971 . . . . 10.0 109.902 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -135.52 139.15 43.75 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.98 -0.288 . . . . 10.0 111.467 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 3.2 m -102.18 148.55 25.29 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.244 -0.435 . . . . 10.0 111.131 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -131.32 124.32 30.16 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.9 -0.591 . . . . 10.0 110.048 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -114.87 117.94 32.1 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.126 -0.488 . . . . 10.0 111.897 -179.064 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 35.4 tttp -134.78 133.79 40.22 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.81 -0.632 . . . . 10.0 109.939 179.31 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -101.39 112.84 25.49 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.113 -0.494 . . . . 10.0 109.904 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 3.5 m -126.21 165.66 23.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.41 -0.359 . . . . 10.0 111.312 -179.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 14.6 t -102.92 84.86 0.89 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.346 0 CA-C-O 121.367 0.603 . . . . 10.0 110.49 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 58.8 mt -89.86 121.81 40.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.611 -179.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 64.23 13.92 8.27 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.574 -0.739 . . . . 10.0 111.624 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.3 7.82 58.0 Favored Glycine 0 N--CA 1.454 -0.164 0 C-N-CA 120.752 -0.737 . . . . 10.0 112.554 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -116.13 144.83 43.63 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.674 0.274 . . . . 10.0 110.384 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 3.2 m -77.51 106.73 9.48 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.274 -0.639 . . . . 10.0 109.274 178.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 15.9 m -109.64 125.58 52.74 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.892 0.377 . . . . 10.0 111.834 -178.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 52.2 tp -94.23 107.34 19.28 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.587 -0.894 . . . . 10.0 108.587 178.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 34.5 mt -82.06 115.59 21.27 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.944 -0.571 . . . . 10.0 112.414 -177.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -105.52 79.67 1.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.193 -1.41 . . . . 10.0 107.193 177.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 39.0 mt -91.66 145.85 6.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.878 -0.601 . . . . 10.0 111.721 -177.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 23.1 tp -136.5 117.65 14.45 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.048 179.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -97.45 112.78 24.48 Favored 'General case' 0 C--O 1.233 0.223 0 N-CA-C 108.952 -0.758 . . . . 10.0 108.952 178.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.24 161.93 13.85 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.505 -0.316 . . . . 10.0 111.309 -179.537 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.5 129.53 41.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.134 -0.484 . . . . 10.0 111.752 -179.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -105.1 41.74 2.08 Favored Glycine 0 N--CA 1.447 -0.589 0 N-CA-C 111.161 -0.776 . . . . 10.0 111.161 179.083 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -107.54 18.67 21.21 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.639 0.257 . . . . 10.0 110.793 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 62.68 -160.66 0.3 Allowed 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.806 -0.634 . . . . 10.0 112.24 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 66.35 15.71 10.19 Favored 'General case' 0 C--O 1.225 -0.196 0 CA-C-N 115.853 -0.612 . . . . 10.0 111.239 -179.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 9.0 m-30 -118.38 75.42 1.01 Allowed 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.205 -0.665 . . . . 10.0 109.205 179.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 1.6 p -78.43 -67.26 0.76 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.362 -0.381 . . . . 10.0 111.092 -179.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.31 -29.85 42.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.945 -0.571 . . . . 10.0 111.408 -179.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 89.6 mtp -64.69 -31.51 72.76 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.909 0.385 . . . . 10.0 110.925 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -78.95 -25.96 43.57 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 121.175 0.512 . . . . 10.0 110.296 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.02 -8.05 41.31 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.907 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -86.1 -63.9 1.24 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.242 0.46 . . . . 10.0 112.242 -179.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 5.4 p90 -67.07 -16.65 64.47 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 113.126 0.787 . . . . 10.0 113.126 -179.189 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 33.0 mtt -69.71 -19.35 63.56 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.294 0.569 . . . . 10.0 110.048 178.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 59.4 mtt180 -81.49 -48.75 11.44 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.594 -0.73 . . . . 10.0 109.536 178.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.99 -40.34 75.35 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.317 -0.856 . . . . 10.0 112.124 -179.397 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -58.36 121.08 24.99 Favored Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 116.046 -0.525 . . . . 10.0 112.751 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -88.45 -40.34 13.55 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-O 120.635 0.255 . . . . 10.0 110.521 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -119.52 131.16 8.84 Favored Glycine 0 N--CA 1.446 -0.687 0 N-CA-C 111.374 -0.69 . . . . 10.0 111.374 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -111.05 129.48 55.9 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.069 0.462 . . . . 10.0 111.505 -179.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 57.0 tp -101.84 117.38 34.73 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.014 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 27.1 m -88.07 99.39 12.14 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.182 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 30.2 t -101.59 118.72 48.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.138 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 47.1 p90 -125.18 160.76 28.41 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.882 179.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -99.98 144.09 29.43 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.951 -0.568 . . . . 10.0 109.963 179.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 28.7 pt -85.58 -10.86 11.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.809 0.338 . . . . 10.0 111.28 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 27.0 p-10 -99.6 -28.81 13.03 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.272 -0.422 . . . . 10.0 111.964 -179.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 35.7 t-20 -108.56 113.48 26.52 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.002 0.43 . . . . 10.0 111.12 -178.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.81 -26.51 64.28 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.867 -0.606 . . . . 10.0 111.929 -179.629 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -59.86 -43.15 94.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.656 0.265 . . . . 10.0 110.889 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.21 -26.8 66.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.132 -0.485 . . . . 10.0 111.434 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -75.61 -44.94 40.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.071 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -72.45 -22.14 61.13 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.381 -0.372 . . . . 10.0 111.351 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.24 -18.04 61.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 10.0 111.732 -179.459 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 45.4 mm -59.89 -37.2 70.92 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 N-CA-C 109.598 -0.519 . . . . 10.0 109.598 179.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -63.0 -46.89 85.51 Favored 'General case' 0 C--O 1.231 0.084 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.035 179.122 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 39.9 m-70 -62.5 -41.9 99.14 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.012 -0.54 . . . . 10.0 110.837 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -63.5 -47.58 81.15 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.32 178.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 31.5 ttt-85 -59.53 -40.03 85.83 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 116.046 -0.525 . . . . 10.0 111.025 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -61.6 -44.97 96.01 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.408 -0.36 . . . . 10.0 111.314 179.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -65.48 -44.05 88.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.535 -0.302 . . . . 10.0 110.721 179.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 96.6 mt -55.34 -49.01 76.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-O 121.164 0.507 . . . . 10.0 110.459 179.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 7.8 mtmt -66.03 -24.44 66.75 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.657 -0.702 . . . . 10.0 111.934 -179.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 6.1 tmm_? -82.43 -41.81 19.37 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.676 -0.49 . . . . 10.0 109.676 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 71.2 t -64.65 -48.68 83.74 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 CA-C-N 115.818 -0.628 . . . . 10.0 111.282 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 22.2 mtpp -83.19 -2.87 56.6 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.187 -0.461 . . . . 10.0 111.189 -179.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 11.9 t70 50.12 49.22 20.84 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 121.455 0.645 . . . . 10.0 111.378 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 2.5 t -166.7 144.81 5.18 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.657 -0.701 . . . . 10.0 109.636 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -86.65 -34.93 19.63 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.866 0.365 . . . . 10.0 110.79 -179.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.91 98.06 6.25 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.203 0.525 . . . . 10.0 110.674 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 60.7 t -129.11 135.08 27.06 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 115.506 -0.77 . . . . 10.0 109.785 -179.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -64.42 105.68 0.63 Allowed 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.588 2.192 . . . . 10.0 111.54 179.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 67.1 mtm -139.25 153.68 47.86 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.199 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 99.3 t -133.1 136.78 54.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.999 -0.371 . . . . 10.0 109.999 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 15.5 tp -93.05 113.86 26.24 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.406 -0.59 . . . . 10.0 109.406 179.621 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 51.4 t -120.07 122.94 69.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.068 0.461 . . . . 10.0 111.763 -178.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -107.64 116.57 4.92 Favored Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 110.315 -1.114 . . . . 10.0 110.315 178.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -94.69 167.0 11.73 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.923 0.361 . . . . 10.0 111.324 -179.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 51.1 mttt 67.88 29.69 6.52 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 123.61 0.764 . . . . 10.0 112.655 179.201 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 70.8 m -66.19 -11.72 51.51 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.62 0.6 . . . . 10.0 112.62 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -90.23 -10.25 45.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.882 0.372 . . . . 10.0 110.933 179.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 29.7 mt -80.36 138.53 51.89 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 116.459 -0.337 . . . . 10.0 110.626 179.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -74.69 150.95 40.55 Favored 'Trans proline' 0 C--O 1.238 0.491 0 C-N-CA 122.474 2.116 . . . . 10.0 112.534 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 2.5 m 62.52 81.69 0.19 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.66 -0.7 . . . . 10.0 112.187 179.297 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 123' ' ' ARG . . . . . 0.434 HH12 ' CD ' ' B' ' 143' ' ' GLU . 15.8 ptt180 -105.85 139.35 40.55 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 122.287 -0.258 . . . . 10.0 111.259 178.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 7.4 m -66.81 -63.41 1.07 Allowed 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.229 0.455 . . . . 10.0 112.229 -179.078 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 73.2 t -76.41 117.7 21.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.908 0.385 . . . . 10.0 110.711 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -76.91 151.16 35.88 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.682 -0.69 . . . . 10.0 109.288 179.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 1.7 m -53.01 -42.54 65.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.505 -0.316 . . . . 10.0 111.675 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -68.47 -23.28 64.56 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.856 0.36 . . . . 10.0 111.963 -179.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -76.24 -44.56 36.91 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.713 -0.476 . . . . 10.0 109.713 179.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -69.42 -44.13 71.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.691 -0.686 . . . . 10.0 110.844 179.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -63.03 -36.73 84.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.867 -0.606 . . . . 10.0 111.314 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -63.93 -36.05 82.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.181 0.515 . . . . 10.0 110.968 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 13.3 tp -78.99 -38.21 37.32 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.253 -0.431 . . . . 10.0 110.566 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.78 -44.39 96.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.994 -0.548 . . . . 10.0 111.139 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 5.8 ppt_? -64.17 -23.68 67.41 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.373 -0.376 . . . . 10.0 111.951 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.68 -27.71 50.89 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.097 0.475 . . . . 10.0 109.839 179.371 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 21.1 m-30 -83.48 -36.4 24.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.037 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 101.21 17.15 23.27 Favored Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 111.026 -0.829 . . . . 10.0 111.026 -178.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 47.1 pt -116.78 150.33 45.57 Favored Pre-proline 0 C--N 1.326 -0.443 0 N-CA-C 110.185 -0.302 . . . . 10.0 110.185 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -80.38 144.2 16.0 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 122.371 2.048 . . . . 10.0 113.187 -179.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -106.34 142.14 36.51 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.33 -0.85 . . . . 10.0 109.372 179.046 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 37.0 mt -130.17 132.18 65.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-O 120.977 0.418 . . . . 10.0 111.941 -179.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 143' ' ' GLU . . . . . 0.434 ' CD ' HH12 ' B' ' 123' ' ' ARG . 3.7 mm-40 -85.48 122.5 29.71 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 107.658 -1.238 . . . . 10.0 107.658 177.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 24.5 p -133.48 166.19 23.12 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.799 1.037 . . . . 10.0 113.799 -177.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 10.5 t -155.32 103.41 2.34 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.51 -1.223 . . . . 10.0 108.159 178.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -64.57 -23.76 67.37 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.318 0.58 . . . . 10.0 110.567 -179.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 44.4 tttt -67.67 -31.36 71.28 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.086 -0.961 . . . . 10.0 111.735 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 65.8 p -120.02 2.56 10.98 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.836 0.31 . . . . 10.0 111.836 -178.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 45.0 ttm-85 61.94 34.73 16.65 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 121.662 0.744 . . . . 10.0 110.925 -178.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -80.36 105.46 11.63 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.984 -179.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 66.74 5.79 33.04 Favored Glycine 0 CA--C 1.519 0.339 0 CA-C-N 115.855 -0.611 . . . . 10.0 114.476 177.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 62.6 t -58.74 -47.56 88.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 117.291 0.545 . . . . 10.0 111.05 -179.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -64.5 -44.37 91.17 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.824 -0.625 . . . . 10.0 111.2 -179.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -65.11 -26.97 68.43 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.026 0.441 . . . . 10.0 110.985 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -66.02 -40.14 90.81 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.435 -0.58 . . . . 10.0 109.435 178.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -71.07 -33.99 70.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.833 -0.621 . . . . 10.0 109.865 178.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 4.2 m-30 -68.32 -44.92 74.29 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.75 -0.659 . . . . 10.0 109.945 179.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 50.5 m -61.92 -33.87 75.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.837 -0.62 . . . . 10.0 111.068 179.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 14.3 tp -59.06 -43.93 91.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.105 0.479 . . . . 10.0 109.726 179.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 39.6 t -74.53 -35.92 39.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.765 -0.652 . . . . 10.0 110.132 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -56.72 -40.16 75.19 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.562 -0.745 . . . . 10.0 110.377 179.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -67.54 -30.41 70.05 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.778 -0.646 . . . . 10.0 111.778 179.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 65.2 mt -67.64 -43.76 86.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 110.077 -0.342 . . . . 10.0 110.077 179.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 22.7 mtt85 -64.64 -36.16 83.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 10.0 109.903 178.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 29.1 ttmt -64.29 -44.91 90.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.751 -0.659 . . . . 10.0 109.858 179.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 45.1 t-80 -56.7 -43.97 81.07 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.927 -0.578 . . . . 10.0 111.075 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -55.06 -50.0 70.23 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.6 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -64.19 -47.16 80.84 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.861 179.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 34.9 mtpt -59.77 -32.28 70.45 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.929 0.714 . . . . 10.0 112.929 -178.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 82.0 mmm -94.63 -36.3 11.84 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 114.048 1.129 . . . . 10.0 114.048 -178.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 16.2 m -67.61 -31.27 71.18 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.063 0.459 . . . . 10.0 111.713 -179.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -89.04 -16.57 31.3 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.827 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 173' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 67.83 158.51 0.14 Allowed 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 121.449 0.642 . . . . 10.0 112.591 -179.541 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . -159.5 47.86 0.41 Allowed Glycine 0 N--CA 1.45 -0.427 0 N-CA-C 111.325 -0.71 . . . . 10.0 111.325 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 175' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -130.82 122.47 27.18 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 111.632 0.234 . . . . 10.0 111.632 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 176' ' ' LYS . . . . . . . . . . . . . 37.6 mmtt 64.07 94.87 0.05 Allowed 'General case' 0 N--CA 1.466 0.373 0 O-C-N 123.57 0.544 . . . . 10.0 111.709 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 177' ' ' LYS . . . . . . . . . . . . . 41.1 mmtt -117.49 -84.63 0.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.935 -0.575 . . . . 10.0 111.455 -179.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 27.1 mtmm -125.17 173.41 8.78 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.699 0.285 . . . . 10.0 110.496 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 179' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -137.9 146.8 43.76 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.665 -0.698 . . . . 10.0 109.626 179.535 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -104.97 -96.98 0.33 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.899 0.38 . . . . 10.0 110.897 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 181' ' ' SER . . . . . 0.447 ' O ' ' P1 ' ' A' ' 415' ' ' 17F . 1.1 m -138.24 129.26 27.08 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.784 -0.821 . . . . 10.0 108.784 179.231 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.32 105.23 3.41 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.398 0.518 . . . . 10.0 112.398 -178.79 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 10.9 m -102.5 -62.95 1.2 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.779 -0.646 . . . . 10.0 109.989 179.023 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 184' ' ' LYS . . . . . . . . . . . . . 19.6 mttm . . . . . 0 C--N 1.33 -0.252 0 CA-C-O 120.872 0.368 . . . . 10.0 111.359 179.488 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 12.9 m . . . . . 0 C--O 1.233 0.203 0 CA-C-O 120.887 0.375 . . . . 10.0 111.031 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.22 134.98 46.98 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.191 -0.458 . . . . 10.0 110.057 179.654 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -100.63 138.64 37.41 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.899 -0.408 . . . . 10.0 109.899 179.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -129.09 118.14 22.0 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.197 -0.456 . . . . 10.0 109.83 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 41.2 mttm -83.51 112.7 20.21 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 116.163 -0.471 . . . . 10.0 111.205 -179.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 14.2 mt -111.57 117.32 32.65 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.44 -0.8 . . . . 10.0 110.943 -178.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 49.7 t -106.23 120.27 56.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.365 -0.38 . . . . 10.0 110.112 179.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 3.1 t -88.42 116.45 30.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.356 -0.384 . . . . 10.0 110.078 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 19.9 m -118.96 162.34 17.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.006 0.432 . . . . 10.0 112.03 -179.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 152.1 -161.61 29.43 Favored Glycine 0 N--CA 1.447 -0.598 0 N-CA-C 110.598 -1.001 . . . . 10.0 110.598 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -90.77 -165.68 1.41 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.694 0.247 . . . . 10.0 110.352 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.57 144.97 25.58 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.989 0.423 . . . . 10.0 110.849 179.714 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 69.72 18.2 73.82 Favored Glycine 0 N--CA 1.451 -0.357 0 CA-C-N 115.898 -0.592 . . . . 10.0 113.598 178.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 17.1 m -82.88 -22.63 8.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 120.991 0.424 . . . . 10.0 111.186 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 108.9 21.83 7.25 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.682 -0.771 . . . . 10.0 113.532 179.079 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 2.0 mtmp? -61.48 -33.63 74.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.06 0.457 . . . . 10.0 110.917 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 1.9 m -79.78 -47.36 15.34 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.977 -0.556 . . . . 10.0 109.952 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.05 -47.53 80.73 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.002 -0.545 . . . . 10.0 111.523 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 37.4 mt -59.42 -51.33 70.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.391 -0.368 . . . . 10.0 111.314 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 4.4 m -65.05 -41.51 95.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.421 -0.354 . . . . 10.0 111.894 -179.21 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 79.0 mt -64.07 -30.71 50.79 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 CA-C-O 120.665 0.269 . . . . 10.0 110.564 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -67.02 -19.74 65.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.626 179.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 11.9 tp -97.39 -35.73 10.59 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.244 0.545 . . . . 10.0 111.092 179.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 48.0 mm -79.34 -63.03 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.687 -0.688 . . . . 10.0 111.537 -179.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -90.8 -8.86 48.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.098 0.475 . . . . 10.0 111.575 -179.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 62.11 31.64 17.71 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 114.103 1.149 . . . . 10.0 114.103 178.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 10.3 p80 -143.18 159.58 42.04 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 121.118 -0.233 . . . . 10.0 110.519 178.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -98.41 128.68 44.9 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 112.091 0.404 . . . . 10.0 112.091 -178.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 4.1 m -97.29 129.99 46.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.536 -0.756 . . . . 10.0 109.745 178.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -93.35 -22.94 18.65 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.808 0.337 . . . . 10.0 111.837 -179.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -83.34 138.96 33.31 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.094 0.473 . . . . 10.0 111.088 -179.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -86.45 115.75 24.16 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.678 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . 0.416 ' O ' ' S1G' ' C' ' 201' ' ' GSP . 10.7 t70 -118.94 105.79 44.63 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 116.486 -0.325 . . . . 10.0 110.294 179.381 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -51.56 112.23 0.77 Allowed 'Trans proline' 0 C--O 1.234 0.292 0 C-N-CA 123.162 2.575 . . . . 10.0 111.911 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 35' ' ' THR . . . . . 0.434 ' OG1' ' O3G' ' C' ' 201' ' ' GSP . 11.2 m -81.48 112.92 19.17 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.519 -0.764 . . . . 10.0 111.093 -179.411 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 36.1 mm -85.0 -42.92 16.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.828 -0.624 . . . . 10.0 109.602 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -175.23 86.4 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.265 -0.88 . . . . 10.0 109.014 179.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.12 134.91 44.62 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.838 -0.619 . . . . 10.0 111.202 -178.633 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 1.5 m -117.3 136.14 53.32 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.364 -0.38 . . . . 10.0 110.809 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -131.37 134.93 46.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.633 -0.258 . . . . 10.0 111.035 -179.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -125.75 127.87 46.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.47 -0.332 . . . . 10.0 111.188 179.281 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 40.7 tttp -145.69 157.64 43.93 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.523 -0.547 . . . . 10.0 109.523 -179.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -124.96 123.03 39.02 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.856 -0.424 . . . . 10.0 109.856 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 3.7 m -133.46 171.63 17.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.841 0.353 . . . . 10.0 111.906 -179.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 33.1 t -108.67 85.64 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.054 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 53.4 mt -88.62 111.53 22.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.971 -179.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 63.28 19.41 11.66 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 115.631 -0.713 . . . . 10.0 111.648 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.3 -16.21 55.52 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.827 -0.701 . . . . 10.0 111.817 -179.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -88.31 122.96 32.42 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.004 0.431 . . . . 10.0 111.214 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 3.0 m -77.65 113.58 15.64 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 107.783 -1.192 . . . . 10.0 107.783 178.108 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -126.61 152.23 46.94 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 113.342 0.867 . . . . 10.0 113.342 -177.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 52.9 tp -102.77 118.17 36.25 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 114.763 -1.108 . . . . 10.0 108.5 178.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 46.7 mt -87.17 116.04 24.98 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.039 -0.528 . . . . 10.0 112.104 -178.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -100.75 80.43 2.17 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 107.81 -1.182 . . . . 10.0 107.81 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 22.3 mt -90.46 141.71 13.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.872 -0.604 . . . . 10.0 112.17 -177.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 16.1 tp -136.51 119.27 16.15 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 115.606 -0.725 . . . . 10.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -99.03 116.72 31.9 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.498 -0.927 . . . . 10.0 108.498 178.143 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -105.58 171.34 7.38 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.363 -0.381 . . . . 10.0 111.778 -179.571 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.59 128.56 35.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.037 -0.528 . . . . 10.0 111.344 -179.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -105.81 25.3 24.53 Favored Glycine 0 N--CA 1.449 -0.475 0 CA-C-N 115.706 -0.679 . . . . 10.0 112.117 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -93.86 19.25 9.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.661 0.267 . . . . 10.0 111.302 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 59.05 -157.19 0.33 Allowed 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 115.864 -0.607 . . . . 10.0 112.098 179.761 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 73.86 -50.85 0.69 Allowed 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 123.369 0.668 . . . . 10.0 112.785 179.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -70.21 96.07 1.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.132 0.419 . . . . 10.0 112.132 -179.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.5 -55.82 3.5 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.768 -0.651 . . . . 10.0 110.898 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.21 -38.34 90.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.461 -179.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 28.4 ttm -62.72 -41.8 99.34 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.636 179.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 68' ' ' ARG . . . . . . . . . . . . . 5.6 ttp180 -65.18 -41.13 94.9 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.826 -0.624 . . . . 10.0 109.857 179.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -61.97 -34.67 76.56 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.027 -0.988 . . . . 10.0 111.534 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -65.18 -60.24 3.23 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 113.212 0.819 . . . . 10.0 113.212 -178.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 71' ' ' TYR . . . . . . . . . . . . . 31.1 p90 -68.34 -15.46 63.57 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 113.956 1.095 . . . . 10.0 113.956 -177.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 40.2 mtt -67.97 -22.26 65.04 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.169 0.509 . . . . 10.0 111.039 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 23.2 mtt180 -81.12 -30.68 34.5 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.013 0.435 . . . . 10.0 110.414 179.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 10.6 m -81.12 -48.81 11.64 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.62 -0.718 . . . . 10.0 111.448 -179.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.32 135.06 50.15 Favored Glycine 0 C--N 1.33 0.247 0 CA-C-N 115.827 -0.624 . . . . 10.0 113.109 -179.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -101.47 -42.24 6.33 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.669 -0.493 . . . . 10.0 109.669 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -112.28 128.62 8.61 Favored Glycine 0 N--CA 1.445 -0.753 0 N-CA-C 110.581 -1.007 . . . . 10.0 110.581 179.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 78' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -111.87 117.7 33.49 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.345 0.593 . . . . 10.0 111.969 -178.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 14.6 tp -91.74 104.76 17.18 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.591 -0.732 . . . . 10.0 109.434 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 23.5 m -85.12 94.95 8.98 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.703 -0.48 . . . . 10.0 109.703 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 58.7 t -102.39 131.38 50.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.021 -0.536 . . . . 10.0 111.285 -178.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -134.7 175.28 9.69 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.767 -0.651 . . . . 10.0 109.855 179.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -115.12 128.45 56.22 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.636 -0.505 . . . . 10.0 109.636 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 84' ' ' ILE . . . . . . . . . . . . . 37.1 pt -70.97 -8.5 11.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 112.995 0.739 . . . . 10.0 112.995 -178.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 26.4 p-10 -96.29 2.7 53.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.653 0.263 . . . . 10.0 111.095 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -146.33 106.08 3.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.931 0.396 . . . . 10.0 110.916 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 1.3 m -59.58 -29.28 67.84 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.915 -0.584 . . . . 10.0 112.027 -178.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -56.99 -36.14 70.02 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.405 -0.361 . . . . 10.0 111.161 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 87.7 p -69.87 -33.57 72.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.866 0.365 . . . . 10.0 111.2 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -74.42 -37.68 63.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.601 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -67.18 -36.41 81.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.275 -0.421 . . . . 10.0 110.242 179.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.93 -30.51 70.25 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.691 -0.686 . . . . 10.0 111.197 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 50.6 mm -59.5 -39.5 79.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.747 179.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -61.87 -32.75 73.14 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.507 -179.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 33.5 m-70 -77.32 -44.92 27.84 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.685 -0.688 . . . . 10.0 110.122 179.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -58.04 -44.74 87.57 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.888 -0.596 . . . . 10.0 111.405 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -57.19 -47.4 81.35 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.819 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -68.56 -34.17 75.35 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.433 -0.349 . . . . 10.0 111.353 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -67.2 -46.55 73.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.554 -0.294 . . . . 10.0 110.416 179.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 83.3 mt -59.23 -46.5 92.18 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 CA-C-O 120.974 0.416 . . . . 10.0 110.71 179.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 32.3 mtmt -60.66 -31.9 71.11 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.382 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 -73.96 -47.62 36.21 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.867 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 47.1 t -67.67 -40.7 84.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 112.165 0.432 . . . . 10.0 112.165 -178.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 21.4 mtpp -82.99 -16.69 46.21 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 111.831 0.308 . . . . 10.0 111.831 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 13.6 t0 57.42 53.45 7.5 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.422 0.629 . . . . 10.0 110.465 -179.232 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 29.4 m -154.02 153.86 32.69 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.978 -0.555 . . . . 10.0 110.527 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -96.8 -26.72 15.02 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.407 0.622 . . . . 10.0 109.675 179.153 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -99.73 96.79 7.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.609 -0.723 . . . . 10.0 110.387 -179.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 24.1 t -123.28 128.96 25.09 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 116.156 -0.475 . . . . 10.0 109.97 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_exo -65.48 99.83 0.38 Allowed 'Trans proline' 0 C--O 1.233 0.26 0 C-N-CA 122.595 2.197 . . . . 10.0 111.557 179.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 111' ' ' MET . . . . . . . . . . . . . 60.8 mtm -133.66 151.03 51.57 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.52 -179.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 85.1 t -133.76 134.22 56.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.655 -0.498 . . . . 10.0 109.655 179.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 14.3 tp -90.11 114.89 26.9 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.971 -0.752 . . . . 10.0 108.971 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 79.5 t -119.79 123.08 70.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 121.07 0.462 . . . . 10.0 111.595 -178.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -102.99 111.17 3.9 Favored Glycine 0 N--CA 1.448 -0.56 0 N-CA-C 110.697 -0.961 . . . . 10.0 110.697 179.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -88.46 168.13 12.87 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.494 0.147 . . . . 10.0 111.367 -178.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 85.2 mttt 61.3 37.92 16.78 Favored 'General case' 0 N--CA 1.462 0.144 0 O-C-N 123.658 0.599 . . . . 10.0 112.132 179.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 118' ' ' CYS . . . . . . . . . . . . . 65.6 m -73.51 -5.21 38.68 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.871 0.367 . . . . 10.0 111.799 179.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -91.03 -11.78 37.77 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.429 179.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 17.3 mt -80.9 136.8 50.54 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.9 179.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -74.59 169.79 21.76 Favored 'Trans proline' 0 C--O 1.238 0.48 0 C-N-CA 122.877 2.385 . . . . 10.0 112.354 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 4.3 m 57.64 59.23 3.33 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.502 -0.772 . . . . 10.0 111.486 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -75.73 120.45 21.13 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.397 0.618 . . . . 10.0 111.138 179.669 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -73.84 -39.89 63.69 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.751 -0.659 . . . . 10.0 110.293 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 49.4 t -97.08 120.2 46.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.467 179.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -81.9 159.03 23.75 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.022 179.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 3.6 m -67.44 -41.26 85.03 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.26 -0.427 . . . . 10.0 111.159 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 17.8 pttp -55.53 -46.49 77.04 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.791 -0.641 . . . . 10.0 112.478 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -69.29 -32.44 71.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.696 0.284 . . . . 10.0 111.067 -179.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -70.59 -42.64 70.77 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.103 -0.702 . . . . 10.0 109.103 179.174 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -71.35 -25.47 62.4 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.548 -0.751 . . . . 10.0 110.145 179.31 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -66.44 -45.83 78.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.471 0.653 . . . . 10.0 109.545 178.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 39.4 tp -69.63 -37.36 76.79 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.703 -0.681 . . . . 10.0 109.942 179.082 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.32 -33.95 76.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.598 -0.728 . . . . 10.0 109.999 179.012 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 20.2 ttm105 -65.54 -33.46 75.97 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.0 -0.546 . . . . 10.0 110.156 179.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 47.1 m -76.91 -32.25 57.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.742 178.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 11.2 m-30 -79.6 -30.75 41.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.011 -0.54 . . . . 10.0 111.933 -179.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 85.54 23.7 45.96 Favored Glycine 0 N--CA 1.447 -0.6 0 N-CA-C 110.449 -1.061 . . . . 10.0 110.449 -179.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 43.3 pt -117.63 154.54 50.84 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 115.367 -0.416 . . . . 10.0 110.462 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_endo -78.82 153.7 26.01 Favored 'Trans proline' 0 C--O 1.236 0.425 0 C-N-CA 122.455 2.103 . . . . 10.0 112.141 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -121.27 137.11 54.83 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.518 -0.765 . . . . 10.0 109.649 179.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 40.8 mt -133.51 133.62 57.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.959 0.409 . . . . 10.0 111.111 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -90.72 118.15 29.92 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 108.099 -1.074 . . . . 10.0 108.099 178.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 40.8 p -126.02 173.62 9.04 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.761 0.791 . . . . 10.0 113.004 -178.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 8.6 t -157.16 115.32 3.2 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.256 -1.338 . . . . 10.0 108.107 179.006 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 146' ' ' ALA . . . . . 0.433 ' N ' ' O6 ' ' C' ' 201' ' ' GSP . . . -70.99 -28.78 64.68 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.827 0.346 . . . . 10.0 110.621 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 52.7 mttt -63.66 -45.75 88.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.93 -0.577 . . . . 10.0 111.658 179.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 16.1 p -95.77 -7.82 36.1 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.76 0.314 . . . . 10.0 111.523 -179.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 21.5 ttt-85 61.21 31.13 19.55 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.771 -0.65 . . . . 10.0 112.231 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -96.24 126.33 41.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.477 -0.328 . . . . 10.0 110.7 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 85.59 -9.53 67.69 Favored Glycine 0 C--O 1.23 -0.153 0 CA-C-N 115.91 -0.586 . . . . 10.0 112.834 179.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 59.8 t -60.22 -42.56 90.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 111.848 0.314 . . . . 10.0 111.848 -179.148 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -65.06 -51.82 59.26 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.941 0.401 . . . . 10.0 111.407 -179.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -65.18 -28.4 69.37 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.962 0.727 . . . . 10.0 112.962 -178.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -55.86 -45.37 78.48 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.973 0.416 . . . . 10.0 109.967 179.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -76.45 -39.9 52.08 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.157 179.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -56.66 -52.87 63.26 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.967 -0.561 . . . . 10.0 110.669 179.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 31.6 m -63.93 -35.74 81.65 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.828 -0.624 . . . . 10.0 111.76 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 53.0 tp -61.11 -42.01 97.74 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.435 -0.58 . . . . 10.0 109.435 178.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 54.9 t -67.49 -36.77 77.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.432 -0.804 . . . . 10.0 109.963 178.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.56 -41.86 95.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.301 179.134 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -60.77 -42.53 97.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.163 179.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 60.0 mt -63.43 -49.79 81.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.474 179.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 22.0 ttm180 -60.63 -42.79 97.58 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.572 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 43.2 mtmt -63.68 -41.73 98.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.455 -0.338 . . . . 10.0 110.464 179.113 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 25.3 t-80 -61.07 -45.6 94.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.728 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -72.56 -28.87 63.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.802 0.334 . . . . 10.0 111.887 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -78.38 -42.63 29.78 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.349 0.595 . . . . 10.0 110.13 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -82.08 -5.92 58.77 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.872 -0.604 . . . . 10.0 110.906 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 1.2 tmm? -63.65 -40.28 96.47 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.125 0.488 . . . . 10.0 110.714 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -72.82 -5.36 37.57 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.867 -0.606 . . . . 10.0 110.524 179.405 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 46.7 mtpt -102.42 -8.28 21.26 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.384 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 173' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -63.71 -40.47 96.86 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.172 0.51 . . . . 10.0 110.453 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . -87.78 -93.86 0.98 Allowed Glycine 0 N--CA 1.443 -0.865 0 CA-C-N 115.564 -0.744 . . . . 10.0 111.588 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 175' ' ' LYS . . . . . . . . . . . . . 46.2 tttm -133.18 116.07 15.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 122.752 -0.264 . . . . 10.0 110.903 -179.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 176' ' ' LYS . . . . . . . . . . . . . 18.2 tptm -127.89 -78.5 0.57 Allowed 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.836 -0.345 . . . . 10.0 111.749 179.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 177' ' ' LYS . . . . . . . . . . . . . 7.6 mttm -126.06 168.43 13.99 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.838 0.351 . . . . 10.0 111.004 -179.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 178' ' ' LYS . . . . . . . . . . . . . 47.4 mttt -88.29 12.26 14.44 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.888 -0.597 . . . . 10.0 110.912 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 179' ' ' LYS . . . . . . . . . . . . . 52.9 tttp -96.06 129.48 43.33 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.929 0.395 . . . . 10.0 110.745 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 180' ' ' LYS . . . . . . . . . . . . . 1.9 mppt? -132.87 149.24 52.27 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.445 -0.946 . . . . 10.0 108.445 179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 9.2 t -79.9 -35.17 38.32 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.219 0.533 . . . . 10.0 109.648 179.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 182' ' ' LYS . . . . . . . . . . . . . 46.7 mttt -78.21 106.24 9.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.589 -0.732 . . . . 10.0 110.084 179.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.41 144.57 35.82 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.682 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 184' ' ' LYS . . . . . . . . . . . . . 10.2 pttp . . . . . 0 C--O 1.236 0.342 0 O-C-N 123.132 0.27 . . . . 10.0 110.514 179.574 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 401' ' ' PCW . . . . . 0.601 ' C22' ' C18' ' A' ' 401' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 402' ' ' PCW . . . . . 0.544 ' C35' ' C31' ' A' ' 402' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 403' ' ' PCW . . . . . 0.691 ' C3 ' ' O1P' ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 404' ' ' PCW . . . . . 0.668 ' O31' ' C35' ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 405' ' ' PCW . . . . . 0.473 ' C36' ' C44' ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 406' ' ' PCW . . . . . 0.59 ' O3P' ' O31' ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 407' ' ' PCW . . . . . 0.781 ' C21' ' C17' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 408' ' ' PCW . . . . . 0.601 ' C3 ' ' O1P' ' A' ' 408' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 409' ' ' PCW . . . . . 0.779 ' C14' ' C19' ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 410' ' ' PCW . . . . . 0.536 ' C22' ' C42' ' A' ' 422' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 411' ' ' PCW . . . . . 0.592 ' C22' ' C23' ' A' ' 408' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 412' ' ' PCW . . . . . 0.473 ' O1P' ' P ' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 413' ' ' PCW . . . . . 0.501 ' C1 ' ' C4 ' ' A' ' 408' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 414' ' ' PCW . . . . . 0.665 ' C47' ' C43' ' A' ' 414' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 415' ' ' 17F . . . . . 0.518 ' C2 ' ' O1 ' ' A' ' 415' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 416' ' ' 17F . . . . . 0.593 ' C17' ' C7 ' ' A' ' 416' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 417' ' ' PCW . . . . . 0.525 ' C45' ' C42' ' A' ' 421' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 418' ' ' PCW . . . . . 0.617 ' C41' ' C37' ' A' ' 418' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 419' ' ' PCW . . . . . 0.542 ' C40' ' C44' ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 420' ' ' PCW . . . . . 0.52 ' C36' ' C41' ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 421' ' ' PCW . . . . . 0.525 ' C42' ' C45' ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 422' ' ' 17F . . . . . 0.536 ' C42' ' C22' ' A' ' 410' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 601' ' ' PCW . . . . . 0.635 ' C42' ' C46' ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 602' ' ' PCW . . . . . 0.599 ' C21' ' C17' ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 603' ' ' PCW . . . . . 0.561 ' C2 ' ' C4 ' ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 604' ' ' PCW . . . . . 0.507 ' O3 ' ' O31' ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 605' ' ' PCW . . . . . 0.732 ' O31' ' P ' ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 606' ' ' PCW . . . . . 0.633 ' C14' ' C18' ' D' ' 606' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 607' ' ' PCW . . . . . 0.545 ' C1 ' ' C37' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 608' ' ' PCW . . . . . 0.433 ' C20' ' C26' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 609' ' ' PCW . . . . . 0.558 ' C11' ' O31' ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 610' ' ' PCW . . . . . 0.647 ' C20' ' C24' ' D' ' 610' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 611' ' ' PCW . . . . . 0.415 ' O3 ' ' O31' ' D' ' 611' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 612' ' ' PCW . . . . . 0.532 ' C32' ' C35' ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 613' ' ' PCW . . . . . 0.616 ' C21' ' C17' ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 614' ' ' PCW . . . . . 0.601 ' C5 ' ' O1P' ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 615' ' ' PCW . . . . . 0.699 ' C5 ' ' O1P' ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 616' ' ' PCW . . . . . 0.581 ' O31' ' O3 ' ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 617' ' ' PCW . . . . . 0.538 ' C39' ' C14' ' D' ' 619' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 618' ' ' PCW . . . . . 0.628 ' C23' ' C27' ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 619' ' ' PCW . . . . . 0.538 ' C14' ' C39' ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 620' ' ' PCW . . . . . 0.476 ' C6 ' ' C2 ' ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 621' ' ' PCW . . . . . 0.508 ' O1P' ' C7 ' ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 622' ' ' PCW . . . . . 0.575 ' O3P' ' O31' ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 623' ' ' PCW . . . . . 0.695 ' C32' ' C36' ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 624' ' ' PCW . . . . . 0.669 ' C24' ' C20' ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 625' ' ' PCW . . . . . 0.699 ' O1P' ' C5 ' ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 626' ' ' PCW . . . . . 0.673 ' C23' ' C27' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 627' ' ' PCW . . . . . 0.667 ' C20' ' C35' ' C' ' 217' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 628' ' ' 17F . . . . . 0.614 ' C31' ' C19' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 629' ' ' 17F . . . . . 0.571 ' O7 ' ' C17' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 630' ' ' 17F . . . . . 0.527 ' O10' ' O6 ' ' D' ' 630' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 631' ' ' 17F . . . . . 0.546 ' O10' ' O7 ' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 632' ' ' 17F . . . . . 0.461 ' O10' ' C4 ' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 201' ' ' GSP . . . . . 0.621 ' O3G' 'MG ' ' B' ' 202' ' ' ' MG' . . . . . . . . 0 O4'--C1' 1.437 1.942 2 C1'-O4'-C4' 101.324 -9.196 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 202' ' ' ' MG' . . . . . 0.621 'MG ' ' O3G' ' B' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 203' ' ' PCW . . . . . 0.407 ' C11' ' O31' ' B' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 204' ' ' PCW . . . . . 0.615 ' C21' ' C17' ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 205' ' ' PCW . . . . . 0.682 ' C21' ' C25' ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 206' ' ' PCW . . . . . 0.564 ' C6 ' ' O4P' ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 207' ' ' PCW . . . . . 0.574 ' C19' ' O10' ' B' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 208' ' ' PCW . . . . . 0.605 ' C43' ' C47' ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 209' ' ' 17F . . . . . 0.652 ' C31' ' C19' ' B' ' 209' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 210' ' ' 17F . . . . . 0.634 ' C24' ' C12' ' B' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 211' ' ' 17F . . . . . 0.475 ' C6 ' ' O10' ' B' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 201' ' ' GSP . . . . . 0.629 ' O3G' 'MG ' ' C' ' 202' ' ' ' MG' . . . . . . . . 0 O4'--C1' 1.438 1.966 2 O4'-C1'-N19 113.416 5.216 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 202' ' ' ' MG' . . . . . 0.629 'MG ' ' O3G' ' C' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 203' ' ' PCW . . . . . 0.637 ' C21' ' C25' ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 204' ' ' PCW . . . . . 0.653 ' C42' ' C46' ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 205' ' ' PCW . . . . . 0.542 ' O3 ' ' O31' ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 206' ' ' PCW . . . . . 0.561 ' C18' ' C15' ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 207' ' ' PCW . . . . . 0.581 ' O31' ' C1 ' ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 208' ' ' PCW . . . . . 0.561 ' C15' ' C18' ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 209' ' ' PCW . . . . . 0.656 ' C22' ' C26' ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 210' ' ' PCW . . . . . 0.628 ' C35' ' O31' ' C' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 211' ' ' PCW . . . . . 0.472 ' C31' ' O3 ' ' C' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 212' ' ' PCW . . . . . 0.619 ' C20' ' C24' ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 213' ' ' 17F . . . . . 0.607 ' O10' ' C4 ' ' C' ' 213' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 214' ' ' 17F . . . . . 0.522 ' N1 ' ' O1P' ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 215' ' ' 17F . . . . . 0.644 ' N1 ' ' O2 ' ' C' ' 215' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 216' ' ' PCW . . . . . 0.501 ' O2P' ' C6 ' ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 217' ' ' PCW . . . . . 0.667 ' C35' ' C20' ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 218' ' ' 17F . . . . . 0.708 ' O7 ' ' C18' ' C' ' 218' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 219' ' ' 17F . . . . . 0.466 ' O1 ' ' O4P' ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? . . . . . 0 CA--C 1.524 -0.027 0 CA-C-O 120.786 0.327 . . . . 10.0 111.142 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 97.3 mt -66.92 -36.87 83.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.282 -0.417 . . . . 10.0 111.243 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 95.6 mt -69.62 -45.33 68.77 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.336 -0.393 . . . . 10.0 111.154 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -66.8 -44.0 82.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.395 -0.366 . . . . 10.0 111.277 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 206' ' ' ASN . . . . . 0.405 ' O ' HG23 ' A' ' 210' ' ' VAL . 1.0 OUTLIER -64.49 -34.51 78.37 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.998 0.428 . . . . 10.0 110.498 -179.883 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 68.9 t90 -71.13 -32.88 69.54 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.807 -0.633 . . . . 10.0 109.93 178.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -59.28 -44.41 92.48 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.418 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 17.1 m -65.11 -34.72 79.07 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.061 -0.518 . . . . 10.0 111.043 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 210' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 206' ' ' ASN . 61.6 t -70.88 -38.57 73.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 109.643 -0.503 . . . . 10.0 109.643 179.077 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 27.9 m -61.06 -43.7 98.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.748 -0.66 . . . . 10.0 111.203 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.8 -29.01 68.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.37 0.605 . . . . 10.0 110.104 179.163 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 51.1 m -67.14 -41.04 86.74 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.87 -0.789 . . . . 10.0 108.87 178.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -62.95 -38.59 91.67 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.697 -0.683 . . . . 10.0 110.591 178.75 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 1.4 m -60.55 -51.42 69.5 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.123 -0.49 . . . . 10.0 109.95 179.023 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 39.0 mmtt -62.57 -38.94 92.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.468 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 57.1 mt -62.07 -45.92 91.39 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.11 -0.496 . . . . 10.0 110.235 179.098 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 218' ' ' ARG . . . . . 0.406 ' HA ' HD12 ' A' ' 221' ' ' LEU . 61.0 mtt180 -67.85 -36.82 81.0 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.31 -0.404 . . . . 10.0 110.611 179.359 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -66.18 -30.85 71.4 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.145 179.251 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -87.35 -26.08 23.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.15 179.043 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 221' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 218' ' ' ARG . 13.0 mt -60.51 -38.94 85.99 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.951 179.029 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -51.79 -62.7 5.36 Favored Glycine 0 CA--C 1.52 0.345 0 O-C-N 123.697 0.623 . . . . 10.0 111.831 179.049 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -56.3 -36.77 97.36 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 122.354 2.036 . . . . 10.0 110.797 177.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 14.9 t -58.73 -53.09 52.08 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.17 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.93 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 225' ' ' THR . . . . . 0.47 ' O ' ' HB2' ' A' ' 229' ' ' TRP . 0.7 OUTLIER -62.29 -37.34 85.13 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.777 0.322 . . . . 10.0 110.591 179.394 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -62.49 -54.68 36.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.581 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -62.79 -48.39 79.34 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.633 -0.712 . . . . 10.0 111.474 -179.574 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -58.7 -47.74 83.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.336 -0.393 . . . . 10.0 111.953 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 229' ' ' TRP . . . . . 0.47 ' HB2' ' O ' ' A' ' 225' ' ' THR . 1.1 m-90 -68.07 -35.94 79.02 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.781 -0.19 . . . . 10.0 111.273 179.757 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -59.75 -45.89 90.82 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.301 -0.629 . . . . 10.0 109.301 178.749 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 231' ' ' ASN . . . . . 0.564 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 81.1 m-20 -73.34 -36.54 66.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.787 -0.642 . . . . 10.0 110.362 179.352 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 232' ' ' LEU . . . . . 0.448 ' HB2' ' HA ' ' A' ' 229' ' ' TRP . 17.2 mt -61.55 -39.2 90.25 Favored 'General case' 0 CA--C 1.515 -0.379 0 N-CA-C 109.719 -0.474 . . . . 10.0 109.719 179.217 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -64.49 -31.17 72.26 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-N 115.542 -0.754 . . . . 10.0 110.122 178.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 234' ' ' LYS . . . . . 0.564 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 71.1 mttt -73.94 -36.63 64.67 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.074 -0.713 . . . . 10.0 109.074 178.561 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.11 -48.82 74.64 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 108.665 -0.865 . . . . 10.0 108.665 178.04 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -67.95 -35.48 78.47 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.545 -0.752 . . . . 10.0 109.928 179.246 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 237' ' ' GLU . . . . . 0.459 ' HA ' ' HD2' ' A' ' 240' ' ' ARG . 43.2 tt0 -58.72 -44.37 90.41 Favored 'General case' 0 CA--C 1.521 -0.16 0 N-CA-C 108.916 -0.772 . . . . 10.0 108.916 177.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -62.28 -44.6 97.45 Favored Glycine 0 N--CA 1.443 -0.89 0 N-CA-C 110.363 -1.095 . . . . 10.0 110.363 178.376 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 239' ' ' LEU . . . . . 0.409 ' HA ' ' HB2' ' A' ' 242' ' ' GLU . 93.5 mt -66.1 -30.28 70.76 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.824 0.345 . . . . 10.0 110.552 179.589 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 240' ' ' ARG . . . . . 0.459 ' HD2' ' HA ' ' A' ' 237' ' ' GLU . 62.0 mtt180 -69.04 -40.06 78.82 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.378 -0.601 . . . . 10.0 109.378 178.469 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 241' ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' A' ' 237' ' ' GLU . 23.5 mt-30 -73.52 -38.48 65.3 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.492 -0.929 . . . . 10.0 108.492 178.507 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 242' ' ' GLU . . . . . 0.409 ' HB2' ' HA ' ' A' ' 239' ' ' LEU . 11.2 mt-10 -66.44 -28.63 68.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.169 -0.923 . . . . 10.0 110.561 178.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 243' ' ' MET . . . . . 0.671 ' HG3' HD12 ' A' ' 247' ' ' LEU . 45.5 ttm -57.02 -32.66 66.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.487 -0.324 . . . . 10.0 110.617 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 244' ' ' SER . . . . . 0.578 ' HA ' ' HG3' ' A' ' 248' ' ' GLU . 3.5 m -70.01 1.21 4.81 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.805 179.253 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 245' ' ' LYS . . . . . 0.825 ' HA ' ' HG3' ' A' ' 249' ' ' GLU . 35.0 mttm -131.62 -59.61 0.95 Allowed 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.142 -0.481 . . . . 10.0 109.941 178.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 246' ' ' ASP . . . . . 0.632 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 1.6 t0 -55.1 -37.3 66.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.675 -0.693 . . . . 10.0 112.741 -178.781 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 247' ' ' LEU . . . . . 0.671 HD12 ' HG3' ' A' ' 243' ' ' MET . 40.0 mt -109.02 -26.09 10.36 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.194 0.442 . . . . 10.0 112.194 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 248' ' ' GLU . . . . . 0.578 ' HG3' ' HA ' ' A' ' 244' ' ' SER . 21.4 mm-40 -82.32 -49.21 10.29 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.068 0.395 . . . . 10.0 112.068 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 249' ' ' GLU . . . . . 0.825 ' HG3' ' HA ' ' A' ' 245' ' ' LYS . 64.2 mt-10 -66.9 -33.44 75.6 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.999 0.428 . . . . 10.0 109.878 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 250' ' ' VAL . . . . . 0.656 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 2.5 p -66.47 -34.89 73.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.749 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 68.1 mttt -79.78 -19.81 47.73 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.32 0.581 . . . . 10.0 110.781 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -84.94 -43.73 13.77 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.084 -0.71 . . . . 10.0 109.084 178.647 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 46.3 mttt -76.16 -24.88 54.84 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.529 -0.76 . . . . 10.0 111.071 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 254' ' ' VAL . . . . . 0.656 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 1.2 p -61.42 -24.53 33.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.611 0.243 . . . . 10.0 111.177 179.625 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 255' ' ' GLN . . . . . 0.586 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 11.4 mt-30 -60.06 -65.07 2.32 Favored Pre-proline 0 CA--C 1.535 0.402 0 CA-C-N 116.362 -0.381 . . . . 10.0 110.413 179.429 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 256' ' ' PRO . . . . . 0.586 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 36.7 Cg_endo -66.6 -30.15 43.02 Favored 'Trans proline' 0 C--N 1.355 0.916 0 C-N-CA 121.453 1.436 . . . . 10.0 111.55 178.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 5.4 m-30 -62.93 -52.88 61.32 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.897 0.379 . . . . 10.0 110.245 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 258' ' ' LEU . . . . . 0.509 ' HG ' HG22 ' A' ' 254' ' ' VAL . 21.1 mt -71.65 -39.21 70.5 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 116.15 -0.477 . . . . 10.0 111.25 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -61.09 -37.93 84.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.755 0.312 . . . . 10.0 110.798 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -67.69 -52.05 42.36 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 116.208 -0.451 . . . . 10.0 109.935 178.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 261' ' ' PHE . . . . . 0.524 ' O ' ' HB2' ' A' ' 265' ' ' TRP . 4.3 m-85 -61.94 -42.23 98.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.813 -0.63 . . . . 10.0 111.341 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -65.36 -39.2 92.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.398 -0.364 . . . . 10.0 110.773 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 263' ' ' LYS . . . . . 0.501 ' O ' ' HG3' ' A' ' 267' ' ' GLU . 2.4 ttmp? -64.29 -52.09 60.3 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.501 -0.555 . . . . 10.0 109.501 179.265 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 264' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -63.67 -35.06 79.3 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.676 -0.693 . . . . 10.0 110.51 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 265' ' ' TRP . . . . . 0.524 ' HB2' ' O ' ' A' ' 261' ' ' PHE . 0.3 OUTLIER -65.27 -37.16 86.33 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 115.927 -0.579 . . . . 10.0 110.306 179.2 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 266' ' ' GLN . . . . . 0.441 ' O ' ' HG3' ' A' ' 270' ' ' GLU . 58.5 mt-30 -62.76 -44.95 94.85 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.87 -0.789 . . . . 10.0 108.87 178.577 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 267' ' ' GLU . . . . . 0.501 ' HG3' ' O ' ' A' ' 263' ' ' LYS . 16.6 mt-10 -64.76 -42.21 95.31 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 108.592 -0.892 . . . . 10.0 108.592 178.23 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 268' ' ' GLU . . . . . 0.42 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 9.8 mt-10 -54.23 -45.09 72.22 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.712 -0.676 . . . . 10.0 110.724 179.214 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 90.2 mmm -74.45 -41.66 60.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.824 -0.626 . . . . 10.0 111.067 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 270' ' ' GLU . . . . . 0.441 ' HG3' ' O ' ' A' ' 266' ' ' GLN . 28.1 mt-10 -60.49 -39.47 87.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.951 0.405 . . . . 10.0 109.988 179.358 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 71.1 mt -65.96 -42.82 89.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.739 -0.664 . . . . 10.0 109.306 178.25 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 272' ' ' TYR . . . . . 0.436 ' HD1' ' HA ' ' A' ' 272' ' ' TYR . 1.4 m-30 -64.95 -32.19 73.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 10.0 110.674 178.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 273' ' ' ARG . . . . . 0.413 ' O ' HG12 ' A' ' 276' ' ' VAL . 88.2 mtt180 -74.39 -35.2 63.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.562 0.696 . . . . 10.0 109.602 178.202 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.59 -22.18 63.53 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.147 -0.933 . . . . 10.0 110.099 179.181 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 275' ' ' LYS . . . . . 0.624 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 11.8 mptt -99.11 -34.66 10.3 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.912 -0.585 . . . . 10.0 111.034 179.138 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 276' ' ' VAL . . . . . 0.413 HG12 ' O ' ' A' ' 273' ' ' ARG . 3.0 p -55.74 -37.66 47.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 112.697 0.628 . . . . 10.0 112.697 -178.709 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 277' ' ' GLU . . . . . 0.409 ' HB2' ' CD ' ' A' ' 278' ' ' PRO . 17.4 mt-10 -66.1 -60.74 6.48 Favored Pre-proline 0 CA--C 1.535 0.395 0 N-CA-C 112.096 0.406 . . . . 10.0 112.096 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 278' ' ' PRO . . . . . 0.455 ' O ' ' HG3' ' A' ' 282' ' ' GLU . 19.1 Cg_endo -59.98 -39.5 70.29 Favored 'Trans proline' 0 C--N 1.355 0.899 0 C-N-CA 121.988 1.792 . . . . 10.0 111.656 179.158 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 279' ' ' LEU . . . . . 0.713 HD22 ' HE3' ' D' ' 495' ' ' LYS . 24.3 mt -66.3 -40.34 89.93 Favored 'General case' 0 CA--C 1.521 -0.172 0 CA-C-N 116.746 -0.206 . . . . 10.0 110.677 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -65.13 -39.03 92.48 Favored 'General case' 0 CA--C 1.518 -0.254 0 N-CA-C 109.517 -0.549 . . . . 10.0 109.517 178.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -64.22 -43.66 94.3 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.517 -0.549 . . . . 10.0 109.517 178.703 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 282' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' A' ' 278' ' ' PRO . 50.5 mt-10 -61.62 -44.31 97.23 Favored 'General case' 0 C--O 1.231 0.108 0 N-CA-C 109.385 -0.598 . . . . 10.0 109.385 178.335 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 75.4 mt -63.26 -45.04 93.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.454 -0.793 . . . . 10.0 110.367 179.276 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -61.54 -55.16 34.03 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.12 -0.491 . . . . 10.0 111.11 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -61.91 -39.72 92.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.39 -0.368 . . . . 10.0 110.818 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -65.29 -47.37 80.8 Favored Glycine 0 N--CA 1.448 -0.545 0 N-CA-C 111.263 -0.735 . . . . 10.0 111.263 178.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -62.2 -36.01 80.62 Favored 'General case' 0 CA--C 1.519 -0.231 0 N-CA-C 110.067 -0.346 . . . . 10.0 110.067 179.307 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 288' ' ' ARG . . . . . 0.453 ' O ' ' HB2' ' A' ' 292' ' ' HIS . 90.7 mtt180 -56.53 -52.27 65.41 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.084 -0.507 . . . . 10.0 109.752 178.582 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -67.7 -46.71 71.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.829 -0.623 . . . . 10.0 111.159 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 290' ' ' LYS . . . . . 0.452 ' O ' ' HG ' ' A' ' 294' ' ' LEU . 69.7 mttt -59.99 -43.26 95.27 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.114 0.413 . . . . 10.0 112.114 -179.424 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 50.0 mt -75.66 -38.41 58.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.649 -0.251 . . . . 10.0 111.38 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 292' ' ' HIS . . . . . 0.458 ' O ' ' HG2' ' A' ' 296' ' ' GLU . 33.0 t-80 -61.46 -42.13 98.29 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.847 -0.427 . . . . 10.0 109.847 179.441 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -61.95 -40.3 95.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.718 -0.674 . . . . 10.0 109.298 178.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 294' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 290' ' ' LYS . 48.7 mt -63.87 -36.69 84.74 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.753 -0.658 . . . . 10.0 110.304 179.074 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -64.25 -40.2 95.52 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.113 0.482 . . . . 10.0 110.256 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 296' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 292' ' ' HIS . 5.1 mm-40 -66.33 -13.79 61.07 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.789 -0.641 . . . . 10.0 110.36 179.11 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 297' ' ' LYS . . . . . 0.401 ' HB3' HD12 ' A' ' 301' ' ' LEU . 25.5 mmtp -118.32 13.36 13.63 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.521 0.677 . . . . 10.0 109.833 178.708 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 298' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 294' ' ' LEU . 0.5 OUTLIER -115.47 -40.67 3.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.547 -0.751 . . . . 10.0 110.549 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 299' ' ' SER . . . . . 0.503 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 0.7 OUTLIER -72.95 -62.34 1.32 Allowed Pre-proline 0 C--N 1.322 -0.587 0 N-CA-C 112.112 0.412 . . . . 10.0 112.112 179.883 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 300' ' ' PRO . . . . . 0.503 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 34.9 Cg_endo -66.15 -46.93 3.87 Favored 'Trans proline' 0 C--N 1.356 0.969 0 C-N-CA 121.609 1.539 . . . . 10.0 112.119 -179.28 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 301' ' ' LEU . . . . . 0.789 HD13 ' HG3' ' D' ' 473' ' ' LYS . 67.3 mt -69.0 -23.1 64.06 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.049 179.477 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -75.65 -46.14 15.49 Favored Glycine 0 C--O 1.225 -0.428 0 N-CA-C 109.668 -1.373 . . . . 10.0 109.668 178.113 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -62.59 -39.32 93.35 Favored 'General case' 0 CA--C 1.517 -0.312 0 N-CA-C 109.336 -0.616 . . . . 10.0 109.336 177.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -63.58 -44.21 94.73 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.434 -0.803 . . . . 10.0 109.445 178.582 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 6.5 tpt -63.82 -39.98 95.53 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.572 -0.529 . . . . 10.0 109.572 178.774 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 59.1 mtt180 -66.0 -38.04 87.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.002 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 307' ' ' ASP . . . . . 0.665 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 0.3 OUTLIER -66.07 -43.26 87.9 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.84 -0.618 . . . . 10.0 109.659 179.199 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 20.0 mmt180 -68.98 -31.18 69.85 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.928 -0.578 . . . . 10.0 109.807 178.721 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 309' ' ' ALA . . . . . 0.579 ' HA ' ' HB2' ' A' ' 312' ' ' HIS . . . -66.88 -32.81 74.31 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.791 -0.641 . . . . 10.0 109.378 178.582 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 310' ' ' ARG . . . . . 0.665 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 74.5 mtt180 -59.09 -48.06 82.99 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 109.012 -0.736 . . . . 10.0 109.012 178.497 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -70.49 -35.27 73.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.826 -0.625 . . . . 10.0 109.77 178.691 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 312' ' ' HIS . . . . . 0.579 ' HB2' ' HA ' ' A' ' 309' ' ' ALA . 0.3 OUTLIER -53.57 -49.68 67.2 Favored 'General case' 0 N--CA 1.462 0.139 0 N-CA-C 109.26 -0.645 . . . . 10.0 109.26 178.467 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 313' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 309' ' ' ALA . 24.1 t -79.35 -38.44 19.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.408 -0.815 . . . . 10.0 111.115 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -59.56 -45.93 90.37 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 120.814 0.34 . . . . 10.0 111.705 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -64.46 -39.23 93.41 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.24 -0.652 . . . . 10.0 109.24 178.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 19.8 mt -64.69 -46.46 82.32 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-N 115.767 -0.651 . . . . 10.0 109.873 179.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 12.0 mtm105 -62.04 -43.13 99.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.1 0.476 . . . . 10.0 110.445 179.09 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 93.5 m -62.9 -28.6 70.16 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.556 -0.747 . . . . 10.0 110.445 179.328 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 319' ' ' HIS . . . . . 0.526 ' CE1' ' HB2' ' D' ' 458' ' ' ASP . 0.1 OUTLIER -88.28 -36.38 16.73 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.861 -0.608 . . . . 10.0 110.792 179.267 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 320' ' ' LEU . . . . . 0.504 ' HA ' ' HB2' ' A' ' 323' ' ' TYR . 78.1 mt -72.67 -26.65 61.7 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.907 0.336 . . . . 10.0 111.907 -179.624 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 321' ' ' ALA . . . . . 0.413 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -55.57 -58.9 13.05 Favored Pre-proline 0 CA--C 1.534 0.363 0 C-N-CA 121.236 -0.186 . . . . 10.0 111.464 178.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 322' ' ' PRO . . . . . 0.413 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 38.6 Cg_endo -70.1 -28.63 23.39 Favored 'Trans proline' 0 C--N 1.357 0.999 0 C-N-CA 121.577 1.518 . . . . 10.0 111.14 178.351 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 323' ' ' TYR . . . . . 0.504 ' HB2' ' HA ' ' A' ' 320' ' ' LEU . 8.9 m-30 -64.97 -51.94 59.0 Favored 'General case' 0 C--O 1.227 -0.125 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.816 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 324' ' ' SER . . . . . 0.419 ' HA ' ' HB2' ' A' ' 327' ' ' LEU . 22.6 p -63.85 -36.54 84.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.536 -0.302 . . . . 10.0 110.552 179.522 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -59.45 -52.7 64.48 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.514 -0.55 . . . . 10.0 109.514 178.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -70.38 -24.56 62.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.612 -0.722 . . . . 10.0 111.024 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 327' ' ' LEU . . . . . 0.419 ' HB2' ' HA ' ' A' ' 324' ' ' SER . 13.3 mt -66.65 -39.08 88.08 Favored 'General case' 0 N--CA 1.462 0.125 0 N-CA-C 108.906 -0.775 . . . . 10.0 108.906 178.18 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 53.8 mtt180 -67.88 -35.85 79.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.67 -0.695 . . . . 10.0 109.156 178.314 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -68.92 -41.8 77.66 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.361 -0.836 . . . . 10.0 109.002 178.587 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 330' ' ' ARG . . . . . 0.743 HH21 ' HB2' ' D' ' 447' ' ' GLU . 27.1 mtt180 -61.79 -46.48 89.37 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 115.677 -0.692 . . . . 10.0 109.264 177.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 7.2 mt -58.9 -46.12 88.62 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 115.352 -0.84 . . . . 10.0 110.01 179.009 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -60.18 -46.35 90.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.427 -0.351 . . . . 10.0 110.391 179.377 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -61.25 -45.61 93.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.883 -0.599 . . . . 10.0 110.837 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 334' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 334' ' ' ARG . 33.3 mtt-85 -67.41 -45.72 75.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.027 -0.533 . . . . 10.0 111.063 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 46.1 mt -60.62 -42.29 96.56 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 116.58 -0.282 . . . . 10.0 110.523 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -62.39 -45.67 92.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.156 179.176 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -63.44 -48.66 76.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.091 -0.504 . . . . 10.0 109.738 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 80.8 mt -64.27 -22.39 66.93 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.744 -0.662 . . . . 10.0 111.045 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -82.76 -43.93 16.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.637 -0.256 . . . . 10.0 110.341 178.266 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 73.9 mt-10 -62.79 -56.6 15.98 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.5 -0.926 . . . . 10.0 108.5 177.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -62.92 -39.58 94.98 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 114.756 -1.111 . . . . 10.0 109.686 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 342' ' ' GLY . . . . . 0.509 ' O ' ' HG ' ' A' ' 346' ' ' LEU . . . -60.45 -44.03 98.11 Favored Glycine 0 N--CA 1.449 -0.499 0 CA-C-N 115.631 -0.713 . . . . 10.0 111.954 179.685 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -61.15 -41.6 99.52 Favored Glycine 0 N--CA 1.449 -0.461 0 N-CA-C 110.969 -0.852 . . . . 10.0 110.969 178.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -65.01 -44.91 87.64 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.712 -0.477 . . . . 10.0 109.712 178.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 345' ' ' ARG . . . . . 0.441 ' HG2' ' OD1' ' D' ' 429' ' ' ASN . 30.9 mtm180 -59.79 -43.21 94.54 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.422 179.114 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 346' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 342' ' ' GLY . 48.0 mt -63.31 -47.3 82.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.906 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.63 -44.87 95.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.957 0.408 . . . . 10.0 110.435 179.395 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 348' ' ' GLU . . . . . 0.584 ' OE2' ' HB2' ' D' ' 429' ' ' ASN . 12.5 tt0 -66.42 -43.15 86.51 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.71 -0.677 . . . . 10.0 110.557 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -66.8 -34.84 78.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.582 -0.281 . . . . 10.0 110.729 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 3.8 m170 -64.5 -45.44 87.29 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.921 -0.77 . . . . 10.0 108.921 178.064 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -63.61 -41.84 98.27 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.272 -0.64 . . . . 10.0 109.272 178.381 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 10.8 ttmm -59.23 -48.41 81.73 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.53 -0.759 . . . . 10.0 110.067 178.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -62.76 -36.98 84.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.339 179.307 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 33.4 m -63.1 -46.17 88.62 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.244 -0.435 . . . . 10.0 109.857 179.23 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -67.15 -41.82 85.41 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.13 -0.486 . . . . 10.0 109.852 178.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -59.38 -38.55 80.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.9 -0.591 . . . . 10.0 110.557 178.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 30.8 mt -63.64 -37.57 87.82 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.437 -0.347 . . . . 10.0 111.183 179.135 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 19.7 m -62.98 -46.27 88.47 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.731 -0.47 . . . . 10.0 109.731 179.062 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -73.78 -29.41 62.18 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.849 179.037 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 20.3 tp -66.27 -34.63 78.43 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.952 -0.759 . . . . 10.0 108.952 178.383 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 50.9 m -63.08 -26.56 68.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.438 -0.801 . . . . 10.0 110.283 178.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -66.33 -28.15 68.45 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.311 -0.625 . . . . 10.0 109.311 178.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 363' ' ' LYS . . . . . 0.83 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 37.4 mtmt -91.84 -21.91 20.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.527 -0.76 . . . . 10.0 110.145 179.392 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 364' ' ' ALA . . . . . 0.462 ' HA ' HD12 ' A' ' 368' ' ' LEU . . . -87.76 -30.54 20.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.048 -0.524 . . . . 10.0 112.41 -178.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 365' ' ' LYS . . . . . 0.663 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 64.8 mttt -109.87 -72.62 0.02 OUTLIER Pre-proline 0 C--N 1.327 -0.407 0 N-CA-C 113.319 0.859 . . . . 10.0 113.319 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 366' ' ' PRO . . . . . 0.663 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 38.3 Cg_exo -58.79 -56.65 1.33 Allowed 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 122.145 1.897 . . . . 10.0 113.052 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 367' ' ' ALA . . . . . 0.83 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -60.99 -45.78 93.42 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 111.618 0.229 . . . . 10.0 111.618 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 368' ' ' LEU . . . . . 0.462 HD12 ' HA ' ' A' ' 364' ' ' ALA . 5.5 mt -63.48 -40.88 98.26 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 121.014 -0.274 . . . . 10.0 110.871 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -62.15 -44.26 97.01 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.785 -0.82 . . . . 10.0 108.785 178.442 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -60.72 -44.27 96.82 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.258 -0.883 . . . . 10.0 110.29 179.234 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 371' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 367' ' ' ALA . 94.7 mt -63.89 -44.4 93.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.753 -0.658 . . . . 10.0 110.559 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 372' ' ' ARG . . . . . 0.587 ' O ' ' HG ' ' A' ' 376' ' ' LEU . 60.8 mtt180 -60.13 -45.35 93.33 Favored 'General case' 0 CA--C 1.519 -0.227 0 N-CA-C 109.672 -0.492 . . . . 10.0 109.672 179.259 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -61.74 -36.72 81.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.795 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -76.71 -28.11 59.77 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.931 -0.652 . . . . 10.0 112.285 179.501 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 51.6 mt -79.6 -23.62 42.56 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 111.801 0.297 . . . . 10.0 111.801 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 376' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' A' ' 372' ' ' ARG . 75.7 mt -56.04 -57.77 20.21 Favored Pre-proline 0 CA--C 1.535 0.393 0 N-CA-C 111.973 0.36 . . . . 10.0 111.973 179.489 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -66.48 -27.18 46.83 Favored 'Trans proline' 0 C--N 1.357 0.994 0 C-N-CA 121.825 1.683 . . . . 10.0 110.53 178.681 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 20.3 t -63.95 -46.72 93.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 109.094 -0.706 . . . . 10.0 109.094 178.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 68.9 mt -64.94 -37.11 86.57 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 109.289 -0.634 . . . . 10.0 109.289 178.595 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -58.55 -50.16 74.79 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.693 -0.685 . . . . 10.0 110.615 179.073 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 2.1 p -69.41 -41.18 76.73 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.094 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -60.26 -37.35 80.16 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 116.303 -0.408 . . . . 10.0 110.669 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 78.3 mttt -59.87 -44.55 94.11 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 109.663 -0.495 . . . . 10.0 109.663 178.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 41.4 t -64.3 -43.44 97.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.002 179.312 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 37.2 m -63.15 -42.59 99.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.866 -0.606 . . . . 10.0 111.373 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -66.94 -42.82 84.66 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.519 -0.31 . . . . 10.0 110.492 179.208 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 76.6 mt -62.89 -48.02 80.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.981 -0.554 . . . . 10.0 111.253 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 388' ' ' SER . . . . . 0.433 ' HB2' ' HE2' ' D' ' 594' ' ' LYS . 8.8 p -65.22 -36.3 83.71 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.485 -0.325 . . . . 10.0 110.786 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -64.6 -42.35 95.63 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 116.299 -0.41 . . . . 10.0 110.216 179.118 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 45.9 mt -60.3 -41.93 94.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.656 -0.702 . . . . 10.0 109.766 179.311 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -69.27 -43.18 74.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.857 -0.61 . . . . 10.0 110.152 178.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -56.69 -47.05 80.76 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.359 -0.382 . . . . 10.0 111.163 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -64.1 -43.17 96.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.739 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 22.9 m -66.71 -41.53 87.82 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.384 -0.371 . . . . 10.0 111.643 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -63.62 -36.24 83.18 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 113.377 0.881 . . . . 10.0 113.377 -178.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 396' ' ' LYS . . . . . 0.418 ' HG2' ' HB2' ' D' ' 587' ' ' ALA . 0.7 OUTLIER -99.66 -29.51 12.62 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 114.351 1.241 . . . . 10.0 114.351 -177.853 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 84.2 mt -89.39 -17.19 29.29 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.683 0.623 . . . . 10.0 112.683 -178.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 50.1 t30 . . . . . 0 C--N 1.324 -0.542 0 C-N-CA 120.989 -0.284 . . . . 10.0 111.129 -179.503 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 3.2 mm? . . . . . 0 C--O 1.234 0.288 0 CA-C-O 121.137 0.494 . . . . 10.0 110.453 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' D' D ' 400' ' ' LYS . . . . . 0.435 ' HE2' ' HB2' ' D' ' 400' ' ' LYS . 4.1 mppt? -106.51 31.55 5.13 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.664 -0.698 . . . . 10.0 109.879 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 72.1 mt -59.4 -44.29 92.83 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.837 -0.62 . . . . 10.0 111.201 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 97.4 mt -60.66 -35.68 76.84 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.551 -0.295 . . . . 10.0 111.184 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -73.86 -37.79 64.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.232 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -72.12 -41.09 67.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.156 -0.474 . . . . 10.0 110.804 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 15.7 m95 -66.14 -26.66 67.54 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.57 179.515 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -64.25 -46.15 85.02 Favored 'General case' 0 CA--C 1.515 -0.379 0 N-CA-C 109.863 -0.421 . . . . 10.0 109.863 179.135 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.94 -42.01 79.27 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.2 -0.455 . . . . 10.0 109.816 178.76 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 18.3 t -67.4 -37.16 78.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.261 0.553 . . . . 10.0 110.759 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 33.5 m -67.51 -34.77 77.8 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.307 0.575 . . . . 10.0 109.533 178.651 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 13.0 m -67.81 -46.65 71.3 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.626 -0.715 . . . . 10.0 109.961 178.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 3.0 p -64.3 -37.32 87.09 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-O 120.802 0.334 . . . . 10.0 110.468 178.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 412' ' ' PHE . . . . . 0.413 ' HD1' ' HA ' ' D' ' 412' ' ' PHE . 3.0 m-30 -62.52 -40.98 98.5 Favored 'General case' 0 C--O 1.231 0.12 0 N-CA-C 108.97 -0.752 . . . . 10.0 108.97 177.555 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 413' ' ' SER . . . . . 0.605 ' HA ' ' HD2' ' D' ' 416' ' ' ARG . 63.9 m -66.67 -35.89 81.22 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.865 -0.607 . . . . 10.0 109.389 178.363 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 36.6 mmtt -63.12 -35.67 81.03 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.736 -0.666 . . . . 10.0 109.801 177.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 96.0 mt -67.16 -38.08 84.86 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.096 -0.705 . . . . 10.0 109.096 178.051 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 416' ' ' ARG . . . . . 0.605 ' HD2' ' HA ' ' D' ' 413' ' ' SER . 95.9 mtt180 -66.05 -37.55 86.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.63 -0.714 . . . . 10.0 109.719 178.697 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 69.0 mt-10 -61.19 -32.78 72.53 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.045 178.737 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -82.21 -45.9 14.45 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.56 -0.746 . . . . 10.0 110.038 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 41.2 mt -47.46 -42.09 21.88 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 115.789 -0.641 . . . . 10.0 112.656 -179.28 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -52.0 -73.71 0.36 Allowed Glycine 0 CA--C 1.522 0.524 0 C-N-CA 121.268 -0.491 . . . . 10.0 112.235 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -60.77 -35.4 89.1 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.428 2.086 . . . . 10.0 112.148 178.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 3.1 t -58.91 -45.75 91.67 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 O-C-N 123.178 0.299 . . . . 10.0 111.424 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 18.3 p -69.9 -33.11 71.76 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.975 0.417 . . . . 10.0 110.317 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -63.99 -50.12 69.78 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.766 -0.652 . . . . 10.0 109.995 178.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -71.54 -30.58 66.06 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.246 -0.434 . . . . 10.0 110.453 178.758 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -62.64 -44.59 95.89 Favored 'General case' 0 C--O 1.224 -0.279 0 N-CA-C 109.042 -0.725 . . . . 10.0 109.042 178.428 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 1.6 m0 -64.96 -38.28 90.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.634 -0.712 . . . . 10.0 110.311 178.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 428' ' ' ASP . . . . . 0.403 ' O ' ' HG3' ' D' ' 432' ' ' LYS . 3.1 t70 -65.83 -41.32 91.92 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.136 -0.691 . . . . 10.0 109.136 179.06 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 429' ' ' ASN . . . . . 0.584 ' HB2' ' OE2' ' A' ' 348' ' ' GLU . 16.1 t30 -66.67 -42.82 85.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.364 -0.835 . . . . 10.0 109.868 178.505 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 70.6 mt -58.61 -43.41 89.6 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.16 179.341 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -65.44 -36.57 84.32 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.36 178.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 432' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' D' ' 428' ' ' ASP . 41.6 mttp -64.76 -48.25 75.22 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.37 -0.604 . . . . 10.0 109.37 178.54 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -64.54 -47.69 77.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.831 -0.622 . . . . 10.0 111.573 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 434' ' ' THR . . . . . 0.526 ' O ' ' HB2' ' D' ' 438' ' ' ARG . 19.8 p -61.89 -38.8 89.69 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.767 0.284 . . . . 10.0 111.767 -179.572 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -72.77 -37.77 67.54 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.925 -0.398 . . . . 10.0 109.925 178.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 436' ' ' GLY . . . . . 0.467 ' O ' ' HG2' ' D' ' 439' ' ' GLN . . . -63.31 -49.75 68.17 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 110.318 -1.113 . . . . 10.0 110.318 178.277 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 437' ' ' LEU . . . . . 0.441 HD23 ' OE1' ' D' ' 440' ' ' GLU . 39.2 mt -67.58 -26.09 66.1 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 109.917 -0.401 . . . . 10.0 109.917 178.575 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 438' ' ' ARG . . . . . 0.526 ' HB2' ' O ' ' D' ' 434' ' ' THR . 25.0 ttm180 -63.25 -48.46 78.14 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.797 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 439' ' ' GLN . . . . . 0.467 ' HG2' ' O ' ' D' ' 436' ' ' GLY . 16.1 pt20 -64.86 -33.3 75.68 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 121.075 0.464 . . . . 10.0 110.011 179.533 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 440' ' ' GLU . . . . . 0.441 ' OE1' HD23 ' D' ' 437' ' ' LEU . 59.3 mt-10 -72.28 -38.26 68.85 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 109.17 -0.678 . . . . 10.0 109.17 179.238 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 58.9 mmm -66.87 -42.02 86.32 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 115.543 -0.753 . . . . 10.0 112.163 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.84 -48.17 80.2 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.832 -0.433 . . . . 10.0 109.832 179.263 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -63.42 -39.86 95.62 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.792 -0.64 . . . . 10.0 109.854 179.07 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 444' ' ' ASP . . . . . 0.419 ' HB2' ' O ' ' D' ' 440' ' ' GLU . 5.5 t70 -65.19 -54.79 24.26 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 115.837 -0.62 . . . . 10.0 110.828 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 73.3 mt -59.51 -46.56 88.48 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.164 0.431 . . . . 10.0 112.164 -179.275 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -60.49 -48.06 83.42 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.42 -0.354 . . . . 10.0 110.947 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 447' ' ' GLU . . . . . 0.743 ' HB2' HH21 ' A' ' 330' ' ' ARG . 63.8 mt-10 -67.65 -32.45 73.15 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.815 179.294 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 2.1 t -58.44 -38.87 72.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.777 0.323 . . . . 10.0 110.266 179.147 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 85.1 mttt -65.26 -31.1 72.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.026 0.441 . . . . 10.0 109.971 179.226 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -97.05 10.56 38.94 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.89 -0.595 . . . . 10.0 111.397 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 451' ' ' LYS . . . . . 0.437 ' O ' ' HB2' ' D' ' 455' ' ' TYR . 59.2 mttm -124.86 -45.67 1.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.328 -0.397 . . . . 10.0 111.274 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 73.7 t -70.42 -42.97 78.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.463 -0.335 . . . . 10.0 110.99 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -57.31 -57.17 26.83 Favored Pre-proline 0 CA--C 1.536 0.431 0 N-CA-C 112.01 0.374 . . . . 10.0 112.01 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -63.43 -27.48 70.76 Favored 'Trans proline' 0 C--N 1.356 0.954 0 C-N-CA 122.107 1.872 . . . . 10.0 111.482 178.704 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 455' ' ' TYR . . . . . 0.437 ' HB2' ' O ' ' D' ' 451' ' ' LYS . 9.9 t80 -71.76 -39.77 69.76 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.196 -0.668 . . . . 10.0 109.196 178.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 21.8 mt -66.59 -38.63 87.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.676 -0.693 . . . . 10.0 109.154 178.306 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -65.26 -45.73 83.38 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.75 -0.659 . . . . 10.0 109.344 178.543 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 458' ' ' ASP . . . . . 0.526 ' HB2' ' CE1' ' A' ' 319' ' ' HIS . 11.9 t70 -60.29 -44.45 95.38 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.373 -0.83 . . . . 10.0 109.533 178.656 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -66.77 -43.46 83.97 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.438 -0.801 . . . . 10.0 110.536 179.322 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -58.18 -41.31 83.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.739 0.304 . . . . 10.0 110.624 179.332 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 461' ' ' LYS . . . . . 0.42 ' O ' ' HG3' ' D' ' 465' ' ' GLU . 67.5 mttt -64.28 -42.72 96.29 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.772 -0.455 . . . . 10.0 109.772 178.645 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.42 -39.09 85.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.3 178.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 38.9 m0 -65.42 -40.71 93.67 Favored 'General case' 0 CA--C 1.517 -0.323 0 N-CA-C 109.428 -0.582 . . . . 10.0 109.428 178.579 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -60.03 -50.38 73.96 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 109.18 -0.674 . . . . 10.0 109.18 178.668 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 465' ' ' GLU . . . . . 0.464 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 42.6 mt-10 -61.89 -45.47 93.61 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 116.154 -0.476 . . . . 10.0 109.917 179.13 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 22.7 tp10 -56.33 -51.23 69.02 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.661 -0.7 . . . . 10.0 110.321 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 73.7 mtm -65.75 -41.46 92.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.881 -0.6 . . . . 10.0 111.118 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -59.6 -48.16 82.76 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.187 -0.671 . . . . 10.0 109.187 178.344 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 469' ' ' LEU . . . . . 0.556 ' O ' ' HB2' ' D' ' 473' ' ' LYS . 91.3 mt -61.56 -31.18 71.21 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.559 -0.746 . . . . 10.0 110.551 179.387 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 16.5 m-30 -71.35 -36.06 71.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.157 0.504 . . . . 10.0 110.048 178.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 74.6 mtt85 -76.4 -17.57 59.29 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.416 0.627 . . . . 10.0 109.637 178.622 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -101.04 1.49 39.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.434 -0.803 . . . . 10.0 110.647 178.686 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 473' ' ' LYS . . . . . 0.789 ' HG3' HD13 ' A' ' 301' ' ' LEU . 0.1 OUTLIER -134.26 -71.06 0.5 Allowed 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.043 179.59 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 51.1 t -54.66 -44.53 70.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.054 -0.521 . . . . 10.0 111.675 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 475' ' ' GLU . . . . . 0.48 ' O ' ' HB2' ' D' ' 478' ' ' ARG . 25.5 mt-10 -62.4 -59.0 14.11 Favored Pre-proline 0 CA--C 1.535 0.4 0 N-CA-C 113.036 0.754 . . . . 10.0 113.036 179.643 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -63.59 -36.08 55.44 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 121.539 1.493 . . . . 10.0 111.397 178.718 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 477' ' ' LEU . . . . . 0.497 ' HB2' ' O ' ' D' ' 473' ' ' LYS . 11.3 mt -67.24 -24.22 65.79 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 116.544 -0.298 . . . . 10.0 110.374 179.015 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 478' ' ' ARG . . . . . 0.614 ' O ' ' HB2' ' D' ' 482' ' ' GLN . 22.8 mtt180 -63.07 -34.37 77.44 Favored 'General case' 0 C--O 1.224 -0.289 0 N-CA-C 108.583 -0.895 . . . . 10.0 108.583 178.281 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -74.91 -43.6 53.38 Favored 'General case' 0 N--CA 1.456 -0.175 0 N-CA-C 109.361 -0.607 . . . . 10.0 109.361 179.032 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.25 -41.9 98.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.329 0.585 . . . . 10.0 110.255 178.773 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 80.9 mt -71.96 -37.31 69.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.781 -0.645 . . . . 10.0 109.878 179.012 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 482' ' ' GLN . . . . . 0.614 ' HB2' ' O ' ' D' ' 478' ' ' ARG . 13.8 tt0 -66.02 -41.27 91.18 Favored 'General case' 0 C--O 1.225 -0.218 0 N-CA-C 109.562 -0.532 . . . . 10.0 109.562 179.055 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 483' ' ' GLU . . . . . 0.408 ' OE2' ' HD2' ' D' ' 486' ' ' ARG . 2.7 tp10 -65.39 -41.84 93.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.251 0.548 . . . . 10.0 109.574 179.051 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -65.25 -36.61 93.01 Favored Glycine 0 N--CA 1.444 -0.816 0 N-CA-C 109.958 -1.257 . . . . 10.0 109.958 178.017 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -69.04 -40.06 78.82 Favored 'General case' 0 C--O 1.224 -0.276 0 N-CA-C 109.873 -0.417 . . . . 10.0 109.873 178.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 486' ' ' ARG . . . . . 0.408 ' HD2' ' OE2' ' D' ' 483' ' ' GLU . 59.1 mtt180 -62.71 -45.8 91.07 Favored 'General case' 0 CA--C 1.516 -0.354 0 N-CA-C 109.553 -0.536 . . . . 10.0 109.553 179.022 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -63.16 -41.07 99.2 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 115.952 -0.567 . . . . 10.0 109.594 178.65 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 488' ' ' LYS . . . . . 0.509 ' O ' ' HG ' ' D' ' 492' ' ' LEU . 82.5 tttt -63.01 -43.06 99.8 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 115.389 -0.823 . . . . 10.0 109.573 178.729 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 489' ' ' LEU . . . . . 0.417 ' O ' ' HG3' ' D' ' 493' ' ' GLN . 71.0 mt -64.07 -42.67 96.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.914 -0.585 . . . . 10.0 110.049 178.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -62.49 -45.01 94.97 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.257 -0.646 . . . . 10.0 109.257 178.472 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -59.57 -41.0 89.2 Favored 'General case' 0 CA--C 1.518 -0.254 0 N-CA-C 109.155 -0.683 . . . . 10.0 109.155 178.427 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 492' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' D' ' 488' ' ' LYS . 93.0 mt -66.31 -38.48 87.83 Favored 'General case' 0 C--O 1.221 -0.402 0 CA-C-N 115.542 -0.754 . . . . 10.0 110.185 178.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 493' ' ' GLN . . . . . 0.417 ' HG3' ' O ' ' D' ' 489' ' ' LEU . 94.0 mt-30 -61.64 -42.9 99.55 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.338 0.59 . . . . 10.0 110.112 179.205 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -72.17 0.89 8.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.539 -0.755 . . . . 10.0 111.334 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 495' ' ' LYS . . . . . 0.713 ' HE3' HD22 ' A' ' 279' ' ' LEU . 43.2 mttp -116.84 -45.94 2.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.156 -0.474 . . . . 10.0 110.09 179.385 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 95.6 mt -67.46 -13.71 62.27 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.073 -0.512 . . . . 10.0 112.328 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 497' ' ' SER . . . . . 0.457 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 14.3 m -87.5 -61.98 0.23 Allowed Pre-proline 0 C--N 1.326 -0.442 0 C-N-CA 120.806 -0.358 . . . . 10.0 111.015 179.053 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 498' ' ' PRO . . . . . 0.457 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 24.3 Cg_endo -63.71 -48.82 4.94 Favored 'Trans proline' 0 C--N 1.356 0.923 0 C-N-CA 121.73 1.62 . . . . 10.0 110.66 179.217 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 499' ' ' LEU . . . . . 0.457 ' HB2' ' O ' ' D' ' 495' ' ' LYS . 98.3 mt -70.1 -27.84 64.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.423 -0.353 . . . . 10.0 110.209 179.332 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -67.23 -48.88 56.46 Favored Glycine 0 N--CA 1.45 -0.369 0 N-CA-C 110.607 -0.997 . . . . 10.0 110.607 179.028 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -69.58 -35.09 75.04 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.545 -0.539 . . . . 10.0 109.545 178.538 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 502' ' ' GLU . . . . . 0.488 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 34.4 tt0 -65.62 -45.76 81.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.013 -0.54 . . . . 10.0 109.978 179.005 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 503' ' ' MET . . . . . 0.459 ' HA ' ' HD2' ' D' ' 506' ' ' ARG . 14.1 tmm? -63.31 -38.69 92.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.958 -0.564 . . . . 10.0 109.528 179.271 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 64.5 mtt180 -64.64 -39.28 93.41 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.06 -0.718 . . . . 10.0 109.06 178.52 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 505' ' ' ASP . . . . . 0.761 ' HA ' ' HD2' ' D' ' 508' ' ' ARG . 2.4 t70 -68.91 -34.96 76.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.013 -0.539 . . . . 10.0 109.557 178.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 506' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' D' ' 502' ' ' GLU . 49.5 mtt180 -63.09 -47.08 84.41 Favored 'General case' 0 CA--C 1.52 -0.174 0 N-CA-C 107.28 -1.378 . . . . 10.0 107.28 176.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -59.21 -40.41 85.73 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 115.369 -0.832 . . . . 10.0 109.358 178.444 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 508' ' ' ARG . . . . . 0.761 ' HD2' ' HA ' ' D' ' 505' ' ' ASP . 94.6 mtt180 -57.66 -52.94 63.39 Favored 'General case' 0 C--O 1.22 -0.464 0 N-CA-C 108.852 -0.796 . . . . 10.0 108.852 177.644 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -61.14 -30.78 70.59 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.82 -0.627 . . . . 10.0 111.619 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 510' ' ' HIS . . . . . 0.561 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 9.8 m-70 -73.35 -56.75 4.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.457 179.15 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 51.8 t -62.83 -39.83 86.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.734 -179.502 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 512' ' ' ASP . . . . . 0.552 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 30.4 t70 -60.86 -41.49 96.01 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.089 -0.505 . . . . 10.0 109.74 179.162 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -64.49 -43.37 94.33 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 108.515 -0.92 . . . . 10.0 108.515 178.287 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 514' ' ' LEU . . . . . 0.597 ' HA ' ' HB2' ' D' ' 517' ' ' HIS . 91.6 mt -58.24 -32.56 68.45 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.968 -0.56 . . . . 10.0 111.239 179.113 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 515' ' ' ARG . . . . . 0.552 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 73.2 mtt180 -63.86 -25.56 68.22 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.993 0.425 . . . . 10.0 110.203 178.836 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.22 7.56 21.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.656 -0.702 . . . . 10.0 110.086 179.691 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 517' ' ' HIS . . . . . 0.597 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 0.5 OUTLIER -118.05 -67.05 1.02 Allowed 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.642 -179.79 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 75.3 mt -67.9 -54.44 18.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.661 -0.7 . . . . 10.0 111.797 -179.269 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 519' ' ' ALA . . . . . 0.689 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -49.55 -58.81 8.03 Favored Pre-proline 0 CA--C 1.535 0.388 0 N-CA-C 112.977 0.732 . . . . 10.0 112.977 -179.308 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 520' ' ' PRO . . . . . 0.689 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 36.0 Cg_exo -61.46 -30.41 86.71 Favored 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 121.751 1.634 . . . . 10.0 111.492 179.275 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -71.45 -42.62 67.95 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 120.764 -0.375 . . . . 10.0 110.662 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 1.3 p -64.87 -26.96 68.55 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.47 -0.567 . . . . 10.0 109.47 178.507 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 523' ' ' ASP . . . . . 0.587 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 12.6 t0 -71.12 -40.56 71.37 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 108.568 -0.901 . . . . 10.0 108.568 178.583 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -66.78 -40.4 88.17 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 108.291 -1.003 . . . . 10.0 108.291 177.568 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 525' ' ' LEU . . . . . 0.436 ' O ' ' HG ' ' D' ' 529' ' ' LEU . 67.1 mt -63.4 -30.94 71.99 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 114.94 -1.027 . . . . 10.0 110.669 179.347 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 526' ' ' ARG . . . . . 0.587 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 60.3 mtt180 -59.62 -40.88 89.04 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 109.675 -0.491 . . . . 10.0 109.675 178.788 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -68.82 -41.06 79.14 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.633 -0.712 . . . . 10.0 110.25 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 528' ' ' ARG . . . . . 0.632 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 82.6 mtt180 -67.7 -41.29 83.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.534 -0.757 . . . . 10.0 110.27 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 529' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' D' ' 525' ' ' LEU . 79.0 mt -63.44 -38.7 92.15 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.006 -0.543 . . . . 10.0 109.609 178.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -63.58 -37.63 88.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 10.0 109.985 178.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -71.72 -43.58 65.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.813 -0.63 . . . . 10.0 110.248 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 532' ' ' ARG . . . . . 0.517 ' O ' ' HG ' ' D' ' 536' ' ' LEU . 13.8 ttm180 -64.21 -46.55 83.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.769 -0.65 . . . . 10.0 109.856 179.221 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 533' ' ' LEU . . . . . 0.557 HD23 HD12 ' D' ' 536' ' ' LEU . 31.7 mt -63.17 -31.98 73.26 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.048 178.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -64.27 -41.98 96.67 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 109.231 -0.655 . . . . 10.0 109.231 178.641 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -66.73 -39.9 88.14 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 109.151 -0.685 . . . . 10.0 109.151 178.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 536' ' ' LEU . . . . . 0.557 HD12 HD23 ' D' ' 533' ' ' LEU . 84.1 mt -65.81 -32.0 73.29 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.877 -0.602 . . . . 10.0 110.284 179.102 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -79.43 -40.89 28.87 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.399 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -65.88 -58.55 5.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.969 -0.56 . . . . 10.0 110.606 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 48.5 m-20 -68.1 -35.56 78.36 Favored 'General case' 0 CA--C 1.511 -0.524 0 N-CA-C 109.571 -0.529 . . . . 10.0 109.571 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 540' ' ' GLY . . . . . 0.562 ' O ' ' HG ' ' D' ' 544' ' ' LEU . . . -63.57 -45.63 94.21 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.764 -0.731 . . . . 10.0 111.516 179.234 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -62.07 -42.23 99.72 Favored Glycine 0 C--N 1.334 0.455 0 N-CA-C 110.768 -0.933 . . . . 10.0 110.768 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -64.43 -42.69 95.87 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 108.925 -0.769 . . . . 10.0 108.925 178.359 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 543' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' D' ' 543' ' ' ARG . 55.5 mtt85 -63.87 -35.65 81.34 Favored 'General case' 0 C--O 1.217 -0.648 0 CA-C-N 115.616 -0.72 . . . . 10.0 110.648 179.181 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 544' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' D' ' 540' ' ' GLY . 84.3 mt -61.99 -39.23 91.47 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.97 -0.752 . . . . 10.0 108.97 178.508 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -69.8 -38.57 76.68 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.531 -0.914 . . . . 10.0 108.531 178.139 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -64.41 -44.03 92.5 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.686 -0.688 . . . . 10.0 109.73 178.351 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -59.39 -48.27 82.26 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 115.728 -0.669 . . . . 10.0 109.254 178.584 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 6.7 m170 -62.38 -43.62 98.4 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.843 179.449 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -63.76 -52.71 59.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.511 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -30.19 71.25 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.729 0.3 . . . . 10.0 110.558 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -66.89 -45.41 78.1 Favored 'General case' 0 CA--C 1.513 -0.469 0 N-CA-C 109.733 -0.469 . . . . 10.0 109.733 178.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -69.56 -39.77 77.19 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 109.911 -0.403 . . . . 10.0 109.911 179.399 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -61.12 -52.4 65.04 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.988 -0.551 . . . . 10.0 109.61 178.472 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 554' ' ' HIS . . . . . 0.48 ' O ' ' HG ' ' D' ' 558' ' ' LEU . 7.8 t-160 -62.75 -37.4 86.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.566 -0.743 . . . . 10.0 110.181 179.423 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 44.0 tp -57.48 -45.28 85.0 Favored 'General case' 0 C--O 1.237 0.418 0 N-CA-C 109.853 -0.425 . . . . 10.0 109.853 178.6 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 10.9 m -62.78 -38.62 91.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.828 -0.623 . . . . 10.0 109.868 178.715 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 3.0 m -70.89 -37.4 73.01 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.767 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 558' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' D' ' 554' ' ' HIS . 92.3 mt -64.53 -50.93 65.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.764 -0.653 . . . . 10.0 110.534 179.45 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 2.2 p -65.04 -32.45 74.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.912 0.387 . . . . 10.0 110.116 179.426 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -63.52 -21.79 66.53 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.525 -0.762 . . . . 10.0 109.673 178.517 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.98 -45.24 5.48 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.757 -0.656 . . . . 10.0 109.767 179.274 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -56.19 -43.53 78.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.185 -0.461 . . . . 10.0 112.185 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 563' ' ' LYS . . . . . 0.535 ' O ' ' HG2' ' D' ' 567' ' ' GLU . 85.1 mttt -56.18 -64.28 2.5 Favored Pre-proline 0 CA--C 1.533 0.307 0 N-CA-C 112.237 0.458 . . . . 10.0 112.237 -179.688 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -68.18 -37.09 15.06 Favored 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 122.36 2.04 . . . . 10.0 113.197 -179.476 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -60.21 -49.61 76.94 Favored 'General case' 0 C--O 1.222 -0.387 0 C-N-CA 121.243 -0.183 . . . . 10.0 110.967 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 19.2 mt -63.52 -38.07 89.74 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.882 -0.327 . . . . 10.0 110.916 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 567' ' ' GLU . . . . . 0.535 ' HG2' ' O ' ' D' ' 563' ' ' LYS . 81.6 mm-40 -62.91 -52.65 62.26 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 108.956 -0.757 . . . . 10.0 108.956 178.372 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.89 -44.65 94.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.597 -0.729 . . . . 10.0 110.814 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 35.2 mt -59.3 -47.05 86.84 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.134 -0.484 . . . . 10.0 110.539 179.459 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 74.0 mtt180 -65.63 -40.58 92.7 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.89 0.376 . . . . 10.0 110.54 179.271 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -66.4 -17.94 65.07 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.864 -0.607 . . . . 10.0 111.218 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -102.6 -35.81 3.7 Favored Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.757 -0.735 . . . . 10.0 111.774 179.17 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 573' ' ' LEU . . . . . 0.566 ' HA ' HG12 ' D' ' 576' ' ' VAL . 84.2 mt -71.43 -37.96 71.42 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 111.722 0.268 . . . . 10.0 111.722 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 574' ' ' LEU . . . . . 0.406 ' O ' ' HG2' ' D' ' 578' ' ' GLU . 20.5 mt -56.2 -59.43 11.9 Favored Pre-proline 0 CA--C 1.535 0.401 0 N-CA-C 112.038 0.385 . . . . 10.0 112.038 179.698 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.53 -34.79 32.22 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 121.94 1.76 . . . . 10.0 111.974 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 576' ' ' VAL . . . . . 0.566 HG12 ' HA ' ' D' ' 573' ' ' LEU . 0.3 OUTLIER -66.99 -35.28 74.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 120.918 -0.313 . . . . 10.0 110.409 179.62 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 577' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' D' ' 577' ' ' LEU . 22.7 mt -67.3 -41.34 85.55 Favored 'General case' 0 CA--C 1.516 -0.336 0 N-CA-C 109.471 -0.566 . . . . 10.0 109.471 178.624 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 578' ' ' GLU . . . . . 0.501 ' O ' HG23 ' D' ' 582' ' ' VAL . 18.6 mm-40 -61.26 -43.99 97.97 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.119 -0.697 . . . . 10.0 109.119 178.729 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 19.7 m -66.42 -38.32 87.18 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.416 -0.811 . . . . 10.0 109.822 178.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 4.7 m-30 -62.78 -41.52 99.29 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 116.005 -0.543 . . . . 10.0 109.898 178.562 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 581' ' ' LYS . . . . . 0.439 ' HD2' ' HA ' ' D' ' 578' ' ' GLU . 87.8 mttt -58.32 -39.93 80.72 Favored 'General case' 0 CA--C 1.519 -0.245 0 N-CA-C 109.719 -0.474 . . . . 10.0 109.719 178.686 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 582' ' ' VAL . . . . . 0.501 HG23 ' O ' ' D' ' 578' ' ' GLU . 58.1 t -61.89 -49.32 84.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.078 -0.51 . . . . 10.0 109.995 179.037 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 6.8 p -67.1 -23.87 65.88 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.576 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -80.61 -44.56 18.72 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 109.986 -0.376 . . . . 10.0 109.986 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 53.4 mt -59.74 -46.16 90.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.811 -0.631 . . . . 10.0 111.09 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 5.4 p -65.48 -34.46 78.33 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.199 0.523 . . . . 10.0 110.678 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 587' ' ' ALA . . . . . 0.418 ' HB2' ' HG2' ' A' ' 396' ' ' LYS . . . -70.21 -55.68 8.69 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.359 179.19 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 90.9 mt -56.49 -47.49 79.15 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.445 0.535 . . . . 10.0 112.445 -179.126 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 589' ' ' GLU . . . . . 0.402 ' HG2' ' HE3' ' D' ' 593' ' ' LYS . 12.4 tt0 -58.91 -47.89 83.38 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.404 -0.362 . . . . 10.0 111.425 -179.499 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -70.36 -39.49 74.61 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 111.944 0.349 . . . . 10.0 111.944 -179.206 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -60.61 -45.61 93.37 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.708 0.289 . . . . 10.0 111.138 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 4.9 m -64.87 -24.93 67.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.239 -0.437 . . . . 10.0 111.213 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 593' ' ' LYS . . . . . 0.402 ' HE3' ' HG2' ' D' ' 589' ' ' GLU . 95.7 mttt -82.66 -35.63 26.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.837 0.351 . . . . 10.0 110.975 179.678 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 594' ' ' LYS . . . . . 0.433 ' HE2' ' HB2' ' A' ' 388' ' ' SER . 11.4 mptt -71.65 -37.43 70.81 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.066 0.46 . . . . 10.0 110.071 178.617 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 5.4 mt -100.11 27.23 5.73 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.423 -0.808 . . . . 10.0 110.525 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 . . . . . 0 C--N 1.324 -0.512 0 CA-C-N 116.438 -0.346 . . . . 10.0 111.277 -179.755 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 N--CA 1.454 -0.253 0 CA-C-O 120.71 0.29 . . . . 10.0 110.309 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.68 131.11 42.28 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.057 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -95.95 139.01 32.77 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.484 -0.325 . . . . 10.0 110.176 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 4' ' ' TYR . . . . . 0.423 ' HE2' ' HB3' ' B' ' 51' ' ' CYS . 99.6 m-85 -131.71 110.89 11.21 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.512 -0.313 . . . . 10.0 110.187 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.701 ' HA ' ' HB3' ' B' ' 54' ' ' ASP . 46.2 mttm -81.47 110.98 17.39 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.163 -0.471 . . . . 10.0 110.651 -179.619 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.515 ' HB3' HD23 ' B' ' 159' ' ' LEU . 11.1 mt -108.93 121.35 44.92 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.72 -0.673 . . . . 10.0 110.573 -178.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 48.0 t -107.36 121.66 60.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-O 120.764 0.316 . . . . 10.0 110.808 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.642 HG12 ' HD2' ' B' ' 16' ' ' LYS . 10.3 t -93.5 111.08 24.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.637 -0.505 . . . . 10.0 109.637 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 5.3 m -117.0 159.03 17.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.122 0.487 . . . . 10.0 111.842 -179.136 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 155.64 -163.45 31.68 Favored Glycine 0 N--CA 1.446 -0.649 0 CA-C-N 115.42 -0.809 . . . . 10.0 111.359 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -86.93 -170.49 3.09 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.709 0.29 . . . . 10.0 110.606 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' ASP . . . . . 0.416 ' HB2' ' OH ' ' B' ' 32' ' ' TYR . 2.3 p-10 -98.43 137.08 37.64 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.487 -0.324 . . . . 10.0 111.171 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 86.06 9.66 76.6 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 121.082 -0.58 . . . . 10.0 113.058 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.431 HG23 ' HG3' ' B' ' 16' ' ' LYS . 18.8 m -81.7 -15.87 12.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.696 0.248 . . . . 10.0 111.243 -179.645 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 99.58 26.43 8.63 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.483 -0.865 . . . . 10.0 113.811 178.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' LYS . . . . . 0.642 ' HD2' HG12 ' B' ' 8' ' ' VAL . 31.8 mtmt -63.84 -34.74 78.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.027 0.441 . . . . 10.0 110.033 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 2.1 m -78.87 -43.39 25.12 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.809 -0.632 . . . . 10.0 109.661 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.21 -44.55 79.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.086 -0.506 . . . . 10.0 110.898 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 73.8 mt -66.12 -49.31 67.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 10.0 111.476 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 16.2 m -63.96 -45.64 88.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.443 -0.344 . . . . 10.0 111.526 -179.384 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 95.2 mt -63.01 -34.2 65.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.677 0.275 . . . . 10.0 110.637 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' GLN . . . . . 0.63 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 2.0 mm-40 -69.77 -16.65 63.34 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.904 0.383 . . . . 10.0 111.348 179.636 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 9.8 tp -98.41 -37.4 9.62 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.997 0.427 . . . . 10.0 110.471 179.017 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 49.3 mm -79.74 -58.79 3.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.73 -0.668 . . . . 10.0 111.899 -179.443 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -93.79 -11.8 30.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.875 0.369 . . . . 10.0 111.093 -179.291 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' ASN . . . . . 0.63 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 64.7 m-80 62.66 29.4 16.86 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 113.802 1.038 . . . . 10.0 113.802 178.302 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -132.44 150.15 52.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.758 0.313 . . . . 10.0 110.805 179.033 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -93.98 129.58 40.4 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.878 -179.551 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 34.9 m -90.6 -171.27 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.625 -0.716 . . . . 10.0 109.605 178.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -149.87 -39.9 0.14 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.927 0.394 . . . . 10.0 110.918 179.114 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -79.88 146.53 32.12 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.1 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' TYR . . . . . 0.416 ' OH ' ' HB2' ' B' ' 12' ' ' ASP . 73.6 t80 -85.81 113.05 21.66 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.134 -179.323 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -114.85 101.85 54.61 Favored Pre-proline 0 C--N 1.324 -0.507 0 N-CA-C 109.654 -0.499 . . . . 10.0 109.654 179.216 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -49.72 124.21 11.92 Favored 'Trans proline' 0 N--CA 1.473 0.273 0 C-N-CA 123.484 2.79 . . . . 10.0 113.103 -178.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' THR . . . . . 0.42 ' CG2' ' HB2' ' B' ' 38' ' ' ASP . 6.0 m -101.84 115.12 29.85 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.677 -0.692 . . . . 10.0 110.003 -179.733 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 51.5 mm -81.77 -51.78 14.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 108.771 -0.826 . . . . 10.0 108.771 178.728 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -167.09 88.41 0.31 Allowed 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.35 -0.841 . . . . 10.0 110.243 179.111 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' ASP . . . . . 0.42 ' HB2' ' CG2' ' B' ' 35' ' ' THR . 0.6 OUTLIER -106.18 123.82 48.63 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.885 -0.598 . . . . 10.0 110.664 -179.411 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.8 p -106.91 129.21 54.77 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.6 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -124.49 140.59 52.8 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.535 -0.302 . . . . 10.0 110.893 -178.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.43 ' HD2' ' OD1' ' B' ' 54' ' ' ASP . 0.8 OUTLIER -117.82 134.56 54.8 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.785 -179.566 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 42.9 tttp -145.29 142.38 29.41 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.468 -0.333 . . . . 10.0 111.257 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -107.45 122.41 46.57 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.252 -0.431 . . . . 10.0 110.096 179.262 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 2.3 m -133.27 165.74 31.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.36 -0.382 . . . . 10.0 111.177 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 2.7 t -113.14 63.34 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.303 0.573 . . . . 10.0 110.315 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 22.1 mt -75.37 137.62 22.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.032 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 63.67 3.74 1.63 Allowed 'General case' 0 N--CA 1.474 0.746 0 O-C-N 123.615 0.572 . . . . 10.0 112.35 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 98.92 2.9 57.09 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.696 -0.764 . . . . 10.0 112.351 -179.594 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -117.99 135.99 53.81 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.884 0.342 . . . . 10.0 110.588 179.515 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 2.1 m -68.92 119.96 14.06 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.455 -0.572 . . . . 10.0 109.455 179.235 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' CYS . . . . . 0.423 ' HB3' ' HE2' ' B' ' 4' ' ' TYR . 0.1 OUTLIER -127.89 146.91 50.47 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.321 -0.399 . . . . 10.0 111.291 -178.896 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 42.6 tp -105.26 114.91 29.38 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.145 -0.687 . . . . 10.0 109.145 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 46.5 mt -85.88 124.13 32.01 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.122 -0.49 . . . . 10.0 111.666 -179.017 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' ASP . . . . . 0.701 ' HB3' ' HA ' ' B' ' 5' ' ' LYS . 29.2 t70 -107.23 79.96 1.37 Allowed 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.222 -1.029 . . . . 10.0 108.222 178.496 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 6.3 mt -84.11 144.38 10.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.544 -0.753 . . . . 10.0 111.265 -177.615 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 23.3 tp -141.99 115.17 8.82 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.213 -0.449 . . . . 10.0 111.465 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -98.64 117.99 34.34 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 109.264 -0.643 . . . . 10.0 109.264 178.069 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 58' ' ' THR . . . . . 0.426 HG21 ' CE1' ' B' ' 71' ' ' TYR . 1.2 p -111.16 167.78 10.01 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.688 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.06 155.85 40.0 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.185 0.517 . . . . 10.0 111.585 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -138.4 40.07 1.51 Allowed Glycine 0 N--CA 1.447 -0.571 0 CA-C-N 115.992 -0.549 . . . . 10.0 111.897 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -104.96 21.4 17.12 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.632 0.253 . . . . 10.0 110.6 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 65.69 177.45 0.21 Allowed 'General case' 0 N--CA 1.462 0.175 0 N-CA-C 112.817 0.673 . . . . 10.0 112.817 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 69.88 27.42 4.51 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.948 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -120.55 31.63 6.36 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.107 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.48 -44.42 65.62 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.269 -0.878 . . . . 10.0 113.324 -178.644 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.58 -11.69 50.78 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 112.557 0.577 . . . . 10.0 112.557 -178.624 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 28.2 ttt -94.01 -41.8 9.37 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.55 -0.296 . . . . 10.0 111.648 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 68' ' ' ARG . . . . . 0.516 ' HA ' ' CE1' ' B' ' 71' ' ' TYR . 4.4 ttp180 -59.83 -46.6 88.74 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.377 -0.374 . . . . 10.0 111.737 -179.075 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -59.27 -23.08 62.08 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 112.487 0.551 . . . . 10.0 112.487 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -70.03 -64.89 0.8 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.312 0.486 . . . . 10.0 112.312 -178.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 71' ' ' TYR . . . . . 0.516 ' CE1' ' HA ' ' B' ' 68' ' ' ARG . 49.5 p90 -70.87 -17.17 62.73 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 112.455 0.539 . . . . 10.0 112.455 -178.671 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 72' ' ' MET . . . . . 0.433 ' HG2' ' CE1' ' B' ' 78' ' ' PHE . 10.6 mtt -69.55 -23.9 63.64 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.939 0.399 . . . . 10.0 111.058 179.36 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 73' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' B' ' 73' ' ' ARG . 44.3 ttm180 -75.03 -43.23 54.81 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.101 -0.499 . . . . 10.0 110.036 179.381 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.12 -31.26 58.55 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.838 -0.619 . . . . 10.0 111.011 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -55.89 125.41 37.05 Favored Glycine 0 C--N 1.331 0.302 0 CA-C-N 116.045 -0.525 . . . . 10.0 113.135 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -92.83 -42.37 9.57 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.916 0.389 . . . . 10.0 110.193 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -120.91 135.19 10.61 Favored Glycine 0 N--CA 1.445 -0.74 0 N-CA-C 110.909 -0.876 . . . . 10.0 110.909 179.043 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 78' ' ' PHE . . . . . 0.501 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 68.1 m-85 -112.53 120.47 41.71 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.4 0.619 . . . . 10.0 112.435 -179.081 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.552 HD12 ' HB ' ' B' ' 112' ' ' VAL . 10.8 tp -100.9 112.19 24.56 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.523 -0.762 . . . . 10.0 109.39 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 80' ' ' CYS . . . . . 0.634 ' HB3' HD12 ' B' ' 93' ' ' ILE . 11.9 m -92.47 100.43 12.98 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.983 -0.553 . . . . 10.0 109.986 -179.421 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 81' ' ' VAL . . . . . 0.463 HG22 ' HB ' ' B' ' 114' ' ' VAL . 77.2 t -102.31 125.44 56.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.853 0.359 . . . . 10.0 111.07 -179.54 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 82' ' ' PHE . . . . . 0.454 ' HE2' ' HG ' ' B' ' 113' ' ' LEU . 38.7 p90 -133.29 163.31 29.6 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.084 -0.507 . . . . 10.0 109.817 179.334 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.44 ' HB1' ' OD1' ' B' ' 85' ' ' ASN . . . -100.69 129.74 46.64 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 110.074 -0.343 . . . . 10.0 110.074 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 84' ' ' ILE . . . . . 0.599 ' CD1' ' HA ' ' B' ' 118' ' ' CYS . 28.7 pt -68.55 -9.97 12.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 112.152 0.427 . . . . 10.0 112.152 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 85' ' ' ASN . . . . . 0.44 ' OD1' ' HB1' ' B' ' 83' ' ' ALA . 20.6 p-10 -106.52 13.09 28.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.42 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -140.34 98.66 3.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.251 -0.432 . . . . 10.0 110.179 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.3 -30.72 69.66 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.809 0.67 . . . . 10.0 112.809 -178.814 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 22.2 tptp -62.31 -47.68 83.19 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.968 -0.293 . . . . 10.0 111.437 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 89' ' ' SER . . . . . 0.449 ' O ' HG12 ' B' ' 93' ' ' ILE . 89.7 p -61.0 -27.45 68.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.388 -0.369 . . . . 10.0 110.934 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -72.47 -40.19 67.14 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.264 179.282 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -75.27 -34.44 61.35 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.954 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.35 -30.53 64.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.917 -0.583 . . . . 10.0 111.812 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 93' ' ' ILE . . . . . 0.634 HD12 ' HB3' ' B' ' 80' ' ' CYS . 41.9 mm -60.66 -37.06 74.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.135 -0.484 . . . . 10.0 111.334 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 48.8 t60 -59.87 -49.0 79.41 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.054 0.454 . . . . 10.0 110.008 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -67.22 -35.19 79.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.7 -0.682 . . . . 10.0 110.398 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -62.35 -44.29 96.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.788 -0.642 . . . . 10.0 109.879 179.172 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 97' ' ' ARG . . . . . 0.499 ' HA ' HD12 ' B' ' 100' ' ' ILE . 20.9 ttt180 -62.68 -42.37 99.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.079 -0.51 . . . . 10.0 110.766 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -61.45 -36.76 81.29 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.714 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 99' ' ' GLN . . . . . 0.434 ' O ' HG23 ' B' ' 103' ' ' VAL . 57.6 tt0 -67.97 -40.06 83.23 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.564 -0.532 . . . . 10.0 109.564 178.806 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 100' ' ' ILE . . . . . 0.499 HD12 ' HA ' ' B' ' 97' ' ' ARG . 88.0 mt -59.98 -45.21 95.62 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-O 121.047 0.451 . . . . 10.0 110.155 179.055 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 19.5 mtmt -64.36 -22.95 67.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.309 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -84.64 -50.63 7.49 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.411 -0.359 . . . . 10.0 111.093 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 103' ' ' VAL . . . . . 0.434 HG23 ' O ' ' B' ' 99' ' ' GLN . 47.1 t -59.04 -57.28 12.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.0 -0.546 . . . . 10.0 111.941 -179.186 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -79.25 -11.66 59.95 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.41 -0.359 . . . . 10.0 111.511 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 17.3 t0 56.11 32.94 21.03 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.642 0.734 . . . . 10.0 110.545 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 12.0 m -133.16 143.57 49.32 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.582 -0.735 . . . . 10.0 111.023 -178.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -92.69 -30.34 15.61 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.189 0.519 . . . . 10.0 110.053 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -92.27 82.54 4.97 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.833 -0.621 . . . . 10.0 110.738 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 109' ' ' VAL . . . . . 0.415 ' HA ' ' HD3' ' B' ' 110' ' ' PRO . 70.9 t -123.06 130.7 24.49 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 115.695 -0.684 . . . . 10.0 109.69 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 110' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 34.7 Cg_exo -62.61 109.42 0.88 Allowed 'Trans proline' 0 C--O 1.234 0.301 0 C-N-CA 123.094 2.529 . . . . 10.0 112.089 179.649 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 111' ' ' MET . . . . . 0.501 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 22.6 mtm -133.58 149.17 51.64 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.945 -0.57 . . . . 10.0 109.687 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 112' ' ' VAL . . . . . 0.552 ' HB ' HD12 ' B' ' 79' ' ' LEU . 60.5 t -133.32 142.44 41.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 109.697 -0.483 . . . . 10.0 109.697 179.042 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 113' ' ' LEU . . . . . 0.454 ' HG ' ' HE2' ' B' ' 82' ' ' PHE . 15.6 tp -99.31 118.88 36.95 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.96 0.409 . . . . 10.0 110.506 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 114' ' ' VAL . . . . . 0.463 ' HB ' HG22 ' B' ' 81' ' ' VAL . 85.7 t -114.75 113.12 42.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.222 -0.444 . . . . 10.0 111.391 -179.279 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -93.28 97.98 2.31 Favored Glycine 0 N--CA 1.45 -0.396 0 N-CA-C 110.481 -1.048 . . . . 10.0 110.481 178.587 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -89.19 174.39 7.88 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.827 0.346 . . . . 10.0 111.841 -178.765 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 16.1 mmtt 67.75 24.77 8.21 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.608 -0.724 . . . . 10.0 111.538 179.58 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 118' ' ' CYS . . . . . 0.599 ' HA ' ' CD1' ' B' ' 84' ' ' ILE . 53.7 m -68.87 -13.47 62.44 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.195 -0.457 . . . . 10.0 111.618 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.03 -25.04 55.29 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.449 179.096 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 120' ' ' LEU . . . . . 0.495 ' HA ' ' HD3' ' B' ' 121' ' ' PRO . 85.1 mt -79.77 132.84 59.92 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.868 -0.605 . . . . 10.0 110.891 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 121' ' ' PRO . . . . . 0.495 ' HD3' ' HA ' ' B' ' 120' ' ' LEU . 2.8 Cg_exo -77.66 169.27 21.15 Favored 'Trans proline' 0 N--CA 1.459 -0.511 0 C-N-CA 123.103 2.535 . . . . 10.0 111.403 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 16.3 m 62.14 54.45 2.69 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.495 0.664 . . . . 10.0 111.732 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 123' ' ' ARG . . . . . 0.456 ' HB3' HD12 ' B' ' 84' ' ' ILE . 1.4 ptp180 -73.41 148.16 43.57 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.444 -0.798 . . . . 10.0 110.666 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -97.53 -43.73 7.12 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.538 -0.541 . . . . 10.0 109.538 178.495 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 47.5 t -85.1 110.04 18.84 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-N 115.745 -0.661 . . . . 10.0 109.658 179.052 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 126' ' ' ASP . . . . . 0.574 ' OD1' ' HG2' ' B' ' 128' ' ' LYS . 6.3 t70 -77.74 153.2 33.16 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.76 -0.654 . . . . 10.0 110.37 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 127' ' ' THR . . . . . 0.42 HG23 ' HE2' ' B' ' 141' ' ' PHE . 1.8 m -60.36 -34.25 73.59 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.469 -0.332 . . . . 10.0 111.177 -179.614 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 128' ' ' LYS . . . . . 0.574 ' HG2' ' OD1' ' B' ' 126' ' ' ASP . 0.0 OUTLIER -59.59 -52.11 66.94 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 112.656 0.613 . . . . 10.0 112.656 -179.084 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -67.82 -34.6 77.06 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.041 0.386 . . . . 10.0 112.041 -178.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.54 -46.75 84.57 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.326 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 131' ' ' GLN . . . . . 0.438 ' HG3' ' HD2' ' B' ' 141' ' ' PHE . 78.7 mt-30 -73.93 -28.25 61.43 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.737 179.752 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -66.45 -42.11 88.12 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.088 -0.506 . . . . 10.0 110.628 179.278 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 34.4 tp -71.0 -44.34 66.12 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.208 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.2 -21.95 66.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.883 -0.599 . . . . 10.0 111.805 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 135' ' ' ARG . . . . . 0.473 ' HG3' ' HE2' ' C' ' 165' ' ' LYS . 37.5 ttm180 -61.62 -41.67 97.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.017 0.437 . . . . 10.0 111.283 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 19.4 m -77.82 -6.74 55.17 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.095 -0.502 . . . . 10.0 111.262 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 22.7 m-30 -100.26 -19.65 16.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.019 0.437 . . . . 10.0 110.268 179.263 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 77.9 16.43 79.94 Favored Glycine 0 N--CA 1.449 -0.492 0 N-CA-C 111.55 -0.62 . . . . 10.0 111.55 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 27.0 pt -106.16 149.44 38.16 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 120.674 0.273 . . . . 10.0 110.966 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -84.59 144.57 10.14 Favored 'Trans proline' 0 C--O 1.236 0.407 0 C-N-CA 122.858 2.372 . . . . 10.0 112.182 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 141' ' ' PHE . . . . . 0.438 ' HD2' ' HG3' ' B' ' 131' ' ' GLN . 49.7 t80 -121.28 122.22 39.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.782 -0.645 . . . . 10.0 110.416 178.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 5.1 mp -125.53 125.78 69.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.471 -0.332 . . . . 10.0 110.457 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -67.11 128.22 35.54 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.962 -0.384 . . . . 10.0 109.962 178.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.64 146.67 50.47 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.205 0.526 . . . . 10.0 112.327 -178.393 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 4.1 m -127.11 115.76 19.64 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.741 -0.837 . . . . 10.0 108.741 179.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -69.02 -26.21 64.88 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.867 0.692 . . . . 10.0 112.867 -178.468 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 147' ' ' LYS . . . . . 0.462 ' HB2' ' HE3' ' B' ' 147' ' ' LYS . 27.0 ttmt -68.25 -57.54 5.82 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.151 0.426 . . . . 10.0 112.151 -178.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 1.9 p -81.16 -16.66 52.26 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.744 0.276 . . . . 10.0 111.744 -178.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 65.83 10.88 7.22 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.656 -0.702 . . . . 10.0 112.107 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -70.18 113.84 7.75 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.494 -0.775 . . . . 10.0 111.125 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 91.16 -0.6 75.75 Favored Glycine 0 N--CA 1.447 -0.582 0 CA-C-N 115.76 -0.655 . . . . 10.0 112.803 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 91.3 t -72.44 -38.17 59.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.968 0.384 . . . . 10.0 111.434 -179.524 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.51 -51.32 67.88 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.165 -0.471 . . . . 10.0 111.309 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 154' ' ' ASP . . . . . 0.428 ' HA ' ' CD2' ' B' ' 157' ' ' TYR . 33.2 t70 -70.74 -23.39 62.42 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.893 -179.602 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -58.72 -47.53 84.25 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.834 0.349 . . . . 10.0 111.351 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -69.19 -29.49 67.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.21 0.528 . . . . 10.0 110.734 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 157' ' ' TYR . . . . . 0.428 ' CD2' ' HA ' ' B' ' 154' ' ' ASP . 16.4 m-30 -67.48 -29.0 68.33 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.821 -0.627 . . . . 10.0 111.061 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 158' ' ' THR . . . . . 0.519 ' O ' ' HG2' ' B' ' 162' ' ' GLU . 1.7 m -61.41 -47.03 87.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.982 -179.452 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 159' ' ' LEU . . . . . 0.515 HD23 ' HB3' ' B' ' 6' ' ' LEU . 14.1 tp -60.62 -40.72 92.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.934 0.397 . . . . 10.0 111.125 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 47.8 t -64.78 -39.23 84.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.029 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.64 -37.03 85.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.258 179.613 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 162' ' ' GLU . . . . . 0.519 ' HG2' ' O ' ' B' ' 158' ' ' THR . 62.9 mm-40 -62.58 -37.64 86.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.0 0.429 . . . . 10.0 110.082 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 57.9 mt -73.03 -37.7 53.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.055 -0.521 . . . . 10.0 109.96 179.386 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 57.7 mtt180 -68.02 -41.33 82.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.985 -0.552 . . . . 10.0 111.047 179.179 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 10.0 111.17 179.627 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 19.4 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.755 0.312 . . . . 10.0 110.58 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 3.4 m -111.96 134.94 53.21 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.249 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 49.4 tt0 -94.55 133.2 38.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.69 -0.232 . . . . 10.0 110.835 -179.597 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 4' ' ' TYR . . . . . 0.463 ' CD2' ' HB3' ' C' ' 51' ' ' CYS . 96.3 m-85 -128.22 115.56 18.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.316 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 5' ' ' LYS . . . . . 0.619 ' HA ' ' HB3' ' C' ' 54' ' ' ASP . 56.1 mttm -85.2 112.08 20.4 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.114 0.483 . . . . 10.0 110.814 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 11.8 mt -109.63 121.98 46.41 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.61 -0.723 . . . . 10.0 111.338 -178.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 7' ' ' VAL . . . . . 0.425 ' CG2' ' HA3' ' C' ' 75' ' ' GLY . 59.9 t -105.46 118.23 52.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.242 -0.435 . . . . 10.0 110.004 179.408 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 20.2 t -91.95 105.93 17.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 109.57 -0.53 . . . . 10.0 109.57 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 4.0 m -104.05 154.75 5.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.224 0.535 . . . . 10.0 111.464 -179.481 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.08 164.79 16.6 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 121.004 -0.617 . . . . 10.0 111.706 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.92 -167.03 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.248 0.547 . . . . 10.0 111.442 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -84.32 149.02 26.33 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.003 -0.544 . . . . 10.0 111.433 -179.412 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 57.18 29.4 59.78 Favored Glycine 0 CA--C 1.521 0.468 0 N-CA-C 114.772 0.669 . . . . 10.0 114.772 179.332 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 14' ' ' VAL . . . . . 0.493 HG23 ' HG3' ' C' ' 16' ' ' LYS . 20.6 m -88.79 -31.12 5.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 117.38 0.59 . . . . 10.0 111.795 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 15' ' ' GLY . . . . . 0.458 ' HA3' ' ND2' ' C' ' 116' ' ' ASN . . . 115.51 18.84 5.98 Favored Glycine 0 CA--C 1.518 0.242 0 C-N-CA 120.781 -0.724 . . . . 10.0 113.433 179.539 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 16' ' ' LYS . . . . . 0.493 ' HG3' HG23 ' C' ' 14' ' ' VAL . 51.8 mtmt -60.84 -50.5 73.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.312 0.577 . . . . 10.0 110.629 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 33.7 m -66.91 -42.29 85.66 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.486 -0.779 . . . . 10.0 110.954 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.25 -45.79 87.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.421 -0.354 . . . . 10.0 111.078 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 65.2 mt -65.27 -46.45 80.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.884 0.374 . . . . 10.0 110.983 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 27.8 m -63.33 -42.77 98.99 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.885 -0.598 . . . . 10.0 111.637 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 73.5 mt -63.48 -36.07 74.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 110.006 -0.368 . . . . 10.0 110.006 179.145 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 22' ' ' GLN . . . . . 0.72 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 1.2 mm-40 -65.47 -36.08 82.83 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.116 0.484 . . . . 10.0 110.209 178.677 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 24.0 tp -76.95 -35.6 57.15 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.329 -0.396 . . . . 10.0 111.627 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 50.8 mm -85.88 -61.1 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 112.904 0.705 . . . . 10.0 112.904 -178.557 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -88.68 -9.4 52.16 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 112.138 0.422 . . . . 10.0 112.138 -178.088 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 26' ' ' ASN . . . . . 0.72 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 6.4 m-20 67.97 32.63 5.0 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 114.629 1.344 . . . . 10.0 114.629 178.204 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -151.27 154.68 37.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.72 0.295 . . . . 10.0 111.114 178.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -102.27 130.33 48.94 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.2 -0.454 . . . . 10.0 110.723 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 4.8 m -104.84 125.71 59.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.86 -0.609 . . . . 10.0 109.597 178.741 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -79.9 -14.25 58.77 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.413 0.625 . . . . 10.0 110.864 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -77.79 136.01 38.06 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.505 -0.771 . . . . 10.0 110.097 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -79.79 119.59 22.89 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.946 0.403 . . . . 10.0 111.017 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -100.0 115.97 65.05 Favored Pre-proline 0 C--O 1.237 0.433 0 CA-C-N 115.73 -0.668 . . . . 10.0 110.492 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -78.09 70.1 7.24 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.946 2.43 . . . . 10.0 110.863 179.041 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.3 134.31 48.95 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.501 -0.772 . . . . 10.0 111.715 -179.487 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 44.6 mm -107.62 -47.1 7.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 108.266 -1.013 . . . . 10.0 108.266 178.215 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 37' ' ' GLU . . . . . 0.632 ' HG2' HD11 ' C' ' 56' ' ' LEU . 1.2 tt0 -163.61 96.68 0.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.344 -0.844 . . . . 10.0 109.862 178.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -126.95 127.43 44.84 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.412 -0.358 . . . . 10.0 110.727 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 2.4 p -99.92 147.7 25.27 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.279 -0.419 . . . . 10.0 111.413 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -138.88 132.39 30.36 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.5 -0.556 . . . . 10.0 109.5 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -114.96 134.28 55.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.748 0.308 . . . . 10.0 111.038 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 42' ' ' LYS . . . . . 0.6 ' HB3' HD12 ' C' ' 53' ' ' LEU . 50.4 tttp -143.45 143.21 31.5 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.471 -0.566 . . . . 10.0 109.471 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -117.5 109.99 17.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.639 0.256 . . . . 10.0 110.518 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 2.8 m -130.59 164.61 33.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.336 0.588 . . . . 10.0 111.448 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 47.7 t -93.48 94.88 4.89 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 115.669 -0.696 . . . . 10.0 109.877 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 46' ' ' ILE . . . . . 0.576 HG13 HG11 ' C' ' 160' ' ' VAL . 29.5 mm -77.09 100.79 2.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 108.076 -1.083 . . . . 10.0 108.076 178.786 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 47' ' ' ASP . . . . . 0.558 ' HA ' ' HB2' ' B' ' 128' ' ' LYS . 4.9 m-20 69.01 -97.4 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.555 -0.748 . . . . 10.0 109.857 -178.586 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . -124.67 12.48 7.82 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.75 -0.738 . . . . 10.0 111.869 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -125.74 132.82 52.27 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.829 0.347 . . . . 10.0 111.125 -179.242 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -78.54 121.95 25.27 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.751 -0.833 . . . . 10.0 108.751 177.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 51' ' ' CYS . . . . . 0.463 ' HB3' ' CD2' ' C' ' 4' ' ' TYR . 4.0 m -125.44 141.68 51.92 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 112.531 0.567 . . . . 10.0 112.531 -178.147 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 53.7 tp -97.54 117.56 32.07 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.369 -0.974 . . . . 10.0 108.369 177.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 53' ' ' LEU . . . . . 0.6 HD12 ' HB3' ' C' ' 42' ' ' LYS . 10.1 mt -88.88 121.09 30.89 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.462 0.648 . . . . 10.0 112.193 -178.357 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 54' ' ' ASP . . . . . 0.619 ' HB3' ' HA ' ' C' ' 5' ' ' LYS . 26.3 t0 -103.89 81.97 1.93 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.479 -1.304 . . . . 10.0 107.479 177.629 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 6.4 mt -89.03 148.15 4.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.495 -0.775 . . . . 10.0 111.883 -177.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 56' ' ' LEU . . . . . 0.632 HD11 ' HG2' ' C' ' 37' ' ' GLU . 16.6 tp -148.39 125.48 11.4 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.73 -0.668 . . . . 10.0 110.0 179.7 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -84.26 138.82 32.74 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 109.841 -0.429 . . . . 10.0 109.841 178.506 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 25.0 p -99.42 165.97 11.4 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.246 -0.434 . . . . 10.0 111.211 -178.56 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -88.4 119.74 29.12 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.015 -0.539 . . . . 10.0 109.716 178.662 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -92.21 11.9 70.97 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.913 -0.66 . . . . 10.0 112.728 -179.228 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -85.32 2.87 42.29 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.991 0.367 . . . . 10.0 111.991 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 62' ' ' GLU . . . . . 0.459 ' HG3' ' H ' ' C' ' 63' ' ' GLU . 3.5 tp10 62.66 -158.54 0.32 Allowed 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 109.781 -0.451 . . . . 10.0 109.781 -179.537 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 63' ' ' GLU . . . . . 0.459 ' H ' ' HG3' ' C' ' 62' ' ' GLU . 14.0 tt0 71.5 -42.58 0.54 Allowed 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 113.171 0.804 . . . . 10.0 113.171 179.414 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 64' ' ' TYR . . . . . 0.872 ' HB3' ' HB3' ' C' ' 67' ' ' MET . 70.5 m-85 -77.33 61.24 2.14 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.096 0.406 . . . . 10.0 112.096 -179.165 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.42 -37.61 77.52 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-O 120.836 0.35 . . . . 10.0 110.331 179.292 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.84 -39.23 51.92 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.494 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 67' ' ' MET . . . . . 0.872 ' HB3' ' HB3' ' C' ' 64' ' ' TYR . 8.9 ttt -62.95 -37.37 86.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.832 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 68' ' ' ARG . . . . . 0.586 ' HA ' ' CZ ' ' C' ' 71' ' ' TYR . 17.6 ttp180 -64.21 -37.58 87.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.035 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.52 -33.45 71.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.884 -0.598 . . . . 10.0 111.303 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -60.7 -62.29 1.97 Allowed 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.818 0.673 . . . . 10.0 112.818 -179.091 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 71' ' ' TYR . . . . . 0.586 ' CZ ' ' HA ' ' C' ' 68' ' ' ARG . 5.6 p90 -73.73 -16.18 61.19 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 112.95 0.722 . . . . 10.0 112.95 -179.015 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 72' ' ' MET . . . . . 0.575 ' HA ' ' HZ ' ' C' ' 78' ' ' PHE . 18.3 mtt -67.07 -32.38 73.51 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-O 121.131 0.491 . . . . 10.0 110.567 179.282 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 33.7 ttm105 -78.22 -32.46 49.87 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.297 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.97 -50.22 17.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.0 -0.545 . . . . 10.0 111.69 -179.512 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 75' ' ' GLY . . . . . 0.425 ' HA3' ' CG2' ' C' ' 7' ' ' VAL . . . -61.74 140.07 47.0 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 121.131 -0.557 . . . . 10.0 113.774 -178.759 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -95.89 -51.27 4.54 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.171 0.51 . . . . 10.0 110.082 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -106.02 132.55 11.18 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.466 -0.788 . . . . 10.0 111.627 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 78' ' ' PHE . . . . . 0.736 ' HB2' ' HG2' ' C' ' 111' ' ' MET . 54.9 m-85 -109.34 129.6 55.52 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.207 0.527 . . . . 10.0 111.625 -179.229 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 79' ' ' LEU . . . . . 0.42 HD13 HD22 ' C' ' 159' ' ' LEU . 12.4 tp -109.29 107.4 17.61 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.69 -0.686 . . . . 10.0 109.661 179.626 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 80' ' ' CYS . . . . . 0.517 ' HB3' HD12 ' C' ' 93' ' ' ILE . 47.7 m -87.15 96.4 10.3 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.379 0.609 . . . . 10.0 111.423 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 92.2 t -95.97 122.06 47.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.501 -0.772 . . . . 10.0 110.134 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 82' ' ' PHE . . . . . 0.598 ' HB3' HD11 ' C' ' 93' ' ' ILE . 29.2 p90 -132.9 151.97 51.96 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.406 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -90.27 123.99 34.51 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.109 -0.7 . . . . 10.0 109.109 179.063 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 84' ' ' ILE . . . . . 0.866 HD12 ' HD3' ' C' ' 123' ' ' ARG . 27.6 pt -67.9 -11.87 14.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 112.765 0.654 . . . . 10.0 112.765 -179.064 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 20.6 p-10 -95.63 12.77 28.53 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.287 0.565 . . . . 10.0 110.344 178.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 86' ' ' ASN . . . . . 0.42 ' OD1' ' HB3' ' C' ' 88' ' ' LYS . 24.6 t-20 -140.53 105.03 4.88 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.64 -0.709 . . . . 10.0 110.374 179.747 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 87' ' ' THR . . . . . 0.411 ' O ' ' HG3' ' C' ' 91' ' ' GLU . 0.4 OUTLIER -61.04 -34.88 75.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.984 -179.6 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 88' ' ' LYS . . . . . 0.42 ' HB3' ' OD1' ' C' ' 86' ' ' ASN . 25.8 tptp -55.83 -43.76 77.28 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.355 -0.384 . . . . 10.0 111.09 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 18.8 m -65.0 -32.56 74.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.055 -0.521 . . . . 10.0 110.987 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -73.11 -34.26 66.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.888 0.375 . . . . 10.0 111.236 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 91' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' C' ' 87' ' ' THR . 33.6 mt-10 -77.01 -32.53 57.22 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.081 0.467 . . . . 10.0 110.548 179.703 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.36 -28.2 69.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.515 -0.766 . . . . 10.0 111.506 179.385 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 93' ' ' ILE . . . . . 0.598 HD11 ' HB3' ' C' ' 82' ' ' PHE . 51.2 mm -52.1 -41.78 33.5 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-N 115.876 -0.602 . . . . 10.0 111.499 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 94' ' ' HIS . . . . . 0.55 ' HA ' ' OH ' ' C' ' 137' ' ' TYR . 62.7 t60 -60.56 -54.37 46.26 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.959 -0.564 . . . . 10.0 111.135 -179.772 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 62.3 m-70 -62.42 -38.71 90.77 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.918 -179.32 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 96' ' ' TYR . . . . . 0.405 ' O ' HG13 ' C' ' 100' ' ' ILE . 4.6 m-85 -61.77 -44.99 95.8 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.819 179.416 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 97' ' ' ARG . . . . . 0.411 ' HA ' HD12 ' C' ' 100' ' ' ILE . 1.5 tmt_? -66.02 -41.16 91.32 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.998 -0.546 . . . . 10.0 111.332 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -61.94 -42.51 99.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.117 -0.492 . . . . 10.0 111.59 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 99' ' ' GLN . . . . . 0.483 ' O ' HG23 ' C' ' 103' ' ' VAL . 28.1 tt0 -64.27 -43.6 94.33 Favored 'General case' 0 C--O 1.226 -0.177 0 C-N-CA 120.768 -0.373 . . . . 10.0 110.593 179.466 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 100' ' ' ILE . . . . . 0.411 HD12 ' HA ' ' C' ' 97' ' ' ARG . 92.9 mt -54.38 -48.53 68.42 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-O 121.271 0.558 . . . . 10.0 110.141 179.259 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 35.0 mtmt -63.36 -38.64 91.94 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.402 -0.817 . . . . 10.0 111.398 -179.479 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -70.31 -46.13 64.88 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.17 -0.468 . . . . 10.0 111.361 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 103' ' ' VAL . . . . . 0.483 HG23 ' O ' ' C' ' 99' ' ' GLN . 87.3 t -62.13 -52.6 58.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.332 -0.394 . . . . 10.0 111.723 -179.219 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -80.16 -6.68 58.19 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.618 -0.264 . . . . 10.0 111.65 -179.082 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 5.6 t70 53.05 51.53 15.59 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.461 0.648 . . . . 10.0 110.841 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 4.8 m -145.03 158.91 43.67 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.619 -0.719 . . . . 10.0 110.102 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 26.8 tp10 -107.81 -28.42 9.67 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.378 0.609 . . . . 10.0 110.356 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.81 91.34 3.95 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.436 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 55.1 t -118.24 128.92 25.69 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.001 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -59.18 105.43 0.24 Allowed 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.753 2.302 . . . . 10.0 111.713 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 111' ' ' MET . . . . . 0.736 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 58.4 mtm -134.55 157.01 47.65 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.802 -179.288 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 45.1 t -142.36 132.01 22.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.543 -0.539 . . . . 10.0 109.543 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 22.5 tp -91.29 121.9 33.44 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.949 -0.389 . . . . 10.0 109.949 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 83.9 t -118.57 117.28 54.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.17 -0.468 . . . . 10.0 111.552 -178.725 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -91.83 112.3 4.16 Favored Glycine 0 N--CA 1.446 -0.685 0 N-CA-C 110.358 -1.097 . . . . 10.0 110.358 178.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 116' ' ' ASN . . . . . 0.458 ' ND2' ' HA3' ' C' ' 15' ' ' GLY . 63.2 t30 -96.13 164.39 12.7 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.674 0.237 . . . . 10.0 111.214 -178.777 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 95.2 mttt 65.27 33.11 9.43 Favored 'General case' 0 C--O 1.234 0.239 0 O-C-N 123.793 0.683 . . . . 10.0 111.648 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 118' ' ' CYS . . . . . 0.838 ' HA ' HD11 ' C' ' 84' ' ' ILE . 90.3 m -73.39 -8.09 54.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.2 -0.455 . . . . 10.0 112.126 -179.424 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -95.47 -5.56 42.68 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.795 0.331 . . . . 10.0 110.109 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 120' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' C' ' 120' ' ' LEU . 17.7 mt -87.01 127.77 58.27 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 10.0 110.746 179.456 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -67.31 158.33 57.51 Favored 'Trans proline' 0 C--O 1.237 0.431 0 C-N-CA 122.709 2.273 . . . . 10.0 112.253 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 50.4 m 63.55 59.62 1.19 Allowed 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.751 -0.659 . . . . 10.0 111.589 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 123' ' ' ARG . . . . . 0.866 ' HD3' HD12 ' C' ' 84' ' ' ILE . 12.5 ptt180 -85.48 128.16 34.65 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 116.143 -0.481 . . . . 10.0 110.174 179.549 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.85 -45.85 63.73 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.613 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 57.5 t -84.77 123.82 39.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.275 -0.42 . . . . 10.0 110.232 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 126' ' ' ASP . . . . . 0.409 ' OD1' ' HG3' ' C' ' 128' ' ' LYS . 11.6 t70 -92.67 151.69 19.95 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.19 -0.459 . . . . 10.0 109.947 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 1.6 m -56.2 -36.42 68.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.375 -0.375 . . . . 10.0 111.709 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 128' ' ' LYS . . . . . 0.409 ' HG3' ' OD1' ' C' ' 126' ' ' ASP . 33.4 mttp -54.91 -51.82 64.83 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.308 -0.406 . . . . 10.0 112.025 -179.268 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -72.4 -31.19 65.32 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.008 0.432 . . . . 10.0 111.431 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.49 -42.31 92.31 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.038 0.447 . . . . 10.0 109.944 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -73.47 -27.81 61.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.02 179.006 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -64.0 -47.65 79.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.216 178.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 27.0 tp -64.53 -38.94 92.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.697 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.76 -34.8 79.18 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.428 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 135' ' ' ARG . . . . . 0.45 HH11 ' HD2' ' C' ' 135' ' ' ARG . 30.7 ttm180 -60.95 -46.06 92.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.681 -0.69 . . . . 10.0 110.874 179.477 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 69.3 m -64.6 -37.39 87.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.038 0.447 . . . . 10.0 111.641 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 137' ' ' TYR . . . . . 0.55 ' OH ' ' HA ' ' C' ' 94' ' ' HIS . 9.4 m-30 -79.27 -21.1 46.57 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 116.358 -0.383 . . . . 10.0 111.753 -178.603 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 75.11 30.92 58.3 Favored Glycine 0 N--CA 1.452 -0.29 0 N-CA-C 111.073 -0.811 . . . . 10.0 111.073 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 43.7 pt -120.73 154.86 57.49 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 115.396 -0.402 . . . . 10.0 110.457 -179.076 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -78.02 143.67 20.66 Favored 'Trans proline' 0 N--CA 1.462 -0.358 0 C-N-CA 122.921 2.414 . . . . 10.0 112.156 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -122.16 134.05 54.73 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.605 -0.517 . . . . 10.0 109.605 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 142' ' ' ILE . . . . . 0.652 HD12 ' HA ' ' C' ' 155' ' ' ALA . 79.0 mt -135.73 133.61 51.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.802 0.334 . . . . 10.0 110.729 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -85.4 125.88 33.34 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 108.782 -0.822 . . . . 10.0 108.782 178.39 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 76.4 p -133.83 177.61 7.59 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.205 0.526 . . . . 10.0 112.037 -178.557 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 6.2 t -152.74 130.27 11.46 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.815 -0.809 . . . . 10.0 108.815 179.135 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -71.26 -21.43 62.1 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.152 0.501 . . . . 10.0 110.619 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 18.5 ttmt -81.01 -58.43 3.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.701 -0.681 . . . . 10.0 111.648 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -73.81 -22.68 59.71 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 113.314 0.857 . . . . 10.0 113.314 -177.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 149' ' ' ARG . . . . . 0.438 ' O ' ' HG3' ' C' ' 149' ' ' ARG . 15.4 tpt180 68.49 17.37 9.09 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 122.128 0.966 . . . . 10.0 109.703 -179.409 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -80.14 125.47 29.86 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.149 -0.932 . . . . 10.0 111.512 -179.296 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 71.67 -2.57 22.72 Favored Glycine 0 C--N 1.333 0.403 0 CA-C-N 116.011 -0.54 . . . . 10.0 114.372 178.499 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 72.8 t -63.62 -48.44 86.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 111.977 0.362 . . . . 10.0 111.977 -178.711 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.35 -38.93 91.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.785 0.326 . . . . 10.0 110.442 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -64.27 -41.36 96.95 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 155' ' ' ALA . . . . . 0.652 ' HA ' HD12 ' C' ' 142' ' ' ILE . . . -62.88 -45.46 92.44 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.668 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -64.17 -44.15 92.95 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.807 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -62.44 -39.99 95.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.531 179.368 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 84.1 m -59.04 -42.78 91.08 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.96 -0.563 . . . . 10.0 111.992 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 159' ' ' LEU . . . . . 0.42 HD22 HD13 ' C' ' 79' ' ' LEU . 45.5 tp -61.52 -43.67 98.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.959 0.409 . . . . 10.0 110.538 179.688 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 160' ' ' VAL . . . . . 0.576 HG11 HG13 ' C' ' 46' ' ' ILE . 46.5 t -65.28 -38.71 83.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.889 -0.596 . . . . 10.0 109.837 179.401 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -63.47 -38.09 89.81 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.701 -0.682 . . . . 10.0 110.995 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -61.87 -42.65 99.31 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.472 -0.331 . . . . 10.0 110.753 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 41.8 mt -64.42 -45.0 97.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-N 116.31 -0.405 . . . . 10.0 110.349 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 27.3 ttm180 -65.16 -38.13 89.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.996 0.427 . . . . 10.0 110.033 179.346 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 165' ' ' LYS . . . . . 0.473 ' HE2' ' HG3' ' B' ' 135' ' ' ARG . 36.9 ttmt -64.79 -43.48 93.07 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.644 -0.707 . . . . 10.0 109.545 179.348 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -56.83 -45.24 82.46 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.901 -0.59 . . . . 10.0 110.591 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 63.9 mttm . . . . . 0 CA--C 1.53 0.174 0 CA-C-N 116.211 -0.449 . . . . 10.0 110.638 179.471 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.899 0.38 . . . . 10.0 111.613 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 47.3 mt -100.28 16.42 24.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.332 -0.395 . . . . 10.0 111.858 -178.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 67.1 mt -127.03 -53.84 1.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.889 0.376 . . . . 10.0 111.395 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -65.46 -47.54 75.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.832 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -73.76 -24.26 59.84 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.48 179.546 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 54.0 t90 -70.85 -28.19 64.39 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-N 115.604 -0.726 . . . . 10.0 109.511 179.065 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -61.05 -41.89 97.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.393 -0.821 . . . . 10.0 110.124 179.105 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 3.3 m -61.49 -36.99 82.04 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.222 -0.444 . . . . 10.0 110.771 179.32 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 24.5 t -64.08 -43.01 97.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 108.579 -0.897 . . . . 10.0 108.579 178.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 18.9 m -64.39 -40.25 95.45 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.223 -0.898 . . . . 10.0 110.138 179.373 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 5.2 m -63.05 -39.8 95.82 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.547 -0.538 . . . . 10.0 109.547 178.709 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 36.5 m -66.15 -47.55 73.66 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.815 -0.63 . . . . 10.0 110.228 179.069 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -58.54 -40.2 82.31 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.372 -0.376 . . . . 10.0 111.147 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 215' ' ' SER . . . . . 0.467 ' O ' ' HG3' ' A' ' 219' ' ' GLU . 16.9 m -64.32 -47.83 77.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 10.0 109.959 179.024 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp -61.48 -41.13 96.8 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.992 0.425 . . . . 10.0 109.864 179.159 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 217' ' ' LEU . . . . . 0.5 ' O ' ' HG ' ' A' ' 221' ' ' LEU . 65.7 mt -63.22 -43.17 98.88 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.081 178.784 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 218' ' ' ARG . . . . . 0.601 ' HA ' HD12 ' A' ' 221' ' ' LEU . 19.2 mtt180 -64.89 -39.71 93.95 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 123.371 0.42 . . . . 10.0 110.982 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 219' ' ' GLU . . . . . 0.467 ' HG3' ' O ' ' A' ' 215' ' ' SER . 51.9 mt-10 -69.25 -32.58 71.88 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.959 0.409 . . . . 10.0 110.448 179.178 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 220' ' ' GLN . . . . . 0.41 ' O ' HG23 ' A' ' 224' ' ' VAL . 6.5 tp-100 -77.91 -30.45 50.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.488 -0.778 . . . . 10.0 110.129 179.122 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 221' ' ' LEU . . . . . 0.601 HD12 ' HA ' ' A' ' 218' ' ' ARG . 33.4 mt -55.81 -34.21 65.15 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 115.91 -0.586 . . . . 10.0 111.356 179.716 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -55.66 -70.61 0.91 Allowed Glycine 0 C--N 1.332 0.326 0 N-CA-C 111.1 -0.8 . . . . 10.0 111.1 178.607 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -51.06 -42.15 54.08 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.956 2.437 . . . . 10.0 112.005 178.513 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 224' ' ' VAL . . . . . 0.518 HG22 ' HD3' ' D' ' 550' ' ' LYS . 77.7 t -56.69 -55.32 20.32 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 CA-C-O 120.731 0.3 . . . . 10.0 110.958 179.705 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 225' ' ' THR . . . . . 0.403 ' O ' ' HB2' ' A' ' 229' ' ' TRP . 17.7 p -65.77 -37.35 86.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.317 -0.401 . . . . 10.0 110.977 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -58.4 -50.65 72.93 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.095 0.474 . . . . 10.0 111.112 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -71.13 -40.53 71.36 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.907 -0.588 . . . . 10.0 111.34 -179.462 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 228' ' ' PHE . . . . . 0.562 ' HZ ' ' HE1' ' D' ' 547' ' ' TYR . 3.2 m-85 -66.22 -40.69 90.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.624 -0.262 . . . . 10.0 111.655 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 229' ' ' TRP . . . . . 0.403 ' HB2' ' O ' ' A' ' 225' ' ' THR . 1.0 OUTLIER -61.64 -38.7 88.66 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.765 -0.457 . . . . 10.0 109.765 178.895 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -67.92 -43.78 78.39 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.584 -0.524 . . . . 10.0 109.584 178.505 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 231' ' ' ASN . . . . . 0.85 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 67.7 m-20 -62.21 -40.28 95.58 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.899 -0.591 . . . . 10.0 109.92 178.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 67.9 mt -66.25 -39.73 89.68 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.179 -0.674 . . . . 10.0 109.179 178.186 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 233' ' ' GLU . . . . . 0.575 ' HA ' ' OG1' ' A' ' 236' ' ' THR . 12.7 mm-40 -65.04 -29.92 70.85 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.852 -0.613 . . . . 10.0 111.169 179.218 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 234' ' ' LYS . . . . . 0.85 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 37.3 mttt -67.55 -39.29 84.96 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.434 -0.951 . . . . 10.0 108.434 177.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.15 -46.63 64.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 114.823 -1.08 . . . . 10.0 110.366 179.43 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 236' ' ' THR . . . . . 0.575 ' OG1' ' HA ' ' A' ' 233' ' ' GLU . 2.8 p -64.3 -36.46 84.19 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 116.311 -0.404 . . . . 10.0 110.082 179.371 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 237' ' ' GLU . . . . . 0.508 ' HB2' ' O ' ' A' ' 233' ' ' GLU . 2.8 tp10 -60.38 -46.54 89.62 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 108.277 -1.008 . . . . 10.0 108.277 177.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 238' ' ' GLY . . . . . 0.414 ' O ' ' HG3' ' A' ' 242' ' ' GLU . . . -58.98 -46.67 93.35 Favored Glycine 0 N--CA 1.44 -1.054 0 N-CA-C 110.245 -1.142 . . . . 10.0 110.245 178.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 71.4 mt -63.98 -29.92 71.04 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.504 0.187 . . . . 10.0 111.504 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 52.7 mtt180 -69.13 -39.29 78.97 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.056 -0.72 . . . . 10.0 109.056 178.455 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -74.54 -39.48 62.3 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.034 -0.728 . . . . 10.0 109.034 178.44 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 242' ' ' GLU . . . . . 0.414 ' HG3' ' O ' ' A' ' 238' ' ' GLY . 12.9 mt-10 -66.05 -21.79 66.4 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.46 -0.791 . . . . 10.0 110.06 178.813 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 243' ' ' MET . . . . . 0.845 ' HG3' HD12 ' A' ' 247' ' ' LEU . 49.7 ttm -61.17 -35.54 77.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.38 0.61 . . . . 10.0 109.924 178.622 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 2.1 m -76.27 0.23 20.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.329 -0.85 . . . . 10.0 111.118 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 245' ' ' LYS . . . . . 0.562 ' O ' ' HB2' ' A' ' 249' ' ' GLU . 99.3 mttt -119.34 -60.88 1.69 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.411 -0.589 . . . . 10.0 109.411 178.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 246' ' ' ASP . . . . . 0.612 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 0.3 OUTLIER -58.6 -59.08 5.95 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.52 -0.764 . . . . 10.0 111.501 -179.47 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 247' ' ' LEU . . . . . 0.845 HD12 ' HG3' ' A' ' 243' ' ' MET . 95.7 mt -78.44 -48.65 14.99 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.807 0.669 . . . . 10.0 112.807 -178.734 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -58.94 -48.76 80.34 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.997 0.74 . . . . 10.0 112.997 -179.05 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 249' ' ' GLU . . . . . 0.562 ' HB2' ' O ' ' A' ' 245' ' ' LYS . 43.8 mt-10 -71.53 -32.16 67.85 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.855 -0.338 . . . . 10.0 111.666 -179.368 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 250' ' ' VAL . . . . . 0.577 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 1.1 p -70.29 -30.17 42.21 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 C-N-CA 120.505 -0.478 . . . . 10.0 110.138 178.678 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 251' ' ' LYS . . . . . 0.403 ' O ' HG12 ' A' ' 254' ' ' VAL . 69.5 tttt -82.15 -28.53 32.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.081 179.102 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -75.24 -39.97 59.42 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.168 -0.678 . . . . 10.0 109.168 178.567 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 47.2 mttt -81.63 -18.6 44.07 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.488 -0.778 . . . . 10.0 110.975 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 254' ' ' VAL . . . . . 0.577 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.3 OUTLIER -61.61 -27.22 41.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.789 0.328 . . . . 10.0 110.767 179.811 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 255' ' ' GLN . . . . . 0.549 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 71.6 mt-30 -61.92 -65.57 2.07 Favored Pre-proline 0 CA--C 1.531 0.25 0 CA-C-N 115.966 -0.561 . . . . 10.0 111.007 179.445 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 256' ' ' PRO . . . . . 0.549 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 38.2 Cg_endo -66.33 -33.37 38.79 Favored 'Trans proline' 0 C--N 1.355 0.91 0 C-N-CA 122.151 1.901 . . . . 10.0 112.599 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 5.4 m-30 -63.76 -49.54 72.57 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.455 -0.338 . . . . 10.0 110.753 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 44.9 mt -73.36 -30.93 63.65 Favored 'General case' 0 C--O 1.221 -0.419 0 N-CA-C 110.04 -0.356 . . . . 10.0 110.04 178.676 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 259' ' ' ASP . . . . . 0.43 ' HB3' ' HA ' ' A' ' 256' ' ' PRO . 5.9 t70 -60.56 -54.55 44.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.501 179.476 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -62.11 -47.18 85.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.864 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 2.8 m-30 -61.51 -40.46 94.69 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.187 -0.461 . . . . 10.0 111.652 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -68.13 -43.3 78.64 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.592 -0.276 . . . . 10.0 110.704 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 263' ' ' LYS . . . . . 0.45 ' O ' ' HG3' ' A' ' 267' ' ' GLU . 38.3 mtmt -62.26 -46.1 90.34 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.64 -0.504 . . . . 10.0 109.64 179.16 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 264' ' ' LYS . . . . . 0.694 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 73.6 mttt -62.59 -37.74 87.42 Favored 'General case' 0 C--O 1.223 -0.302 0 N-CA-C 109.715 -0.476 . . . . 10.0 109.715 178.362 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -64.41 -42.5 96.03 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 109.269 -0.641 . . . . 10.0 109.269 178.701 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -64.0 -42.83 97.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.597 -0.728 . . . . 10.0 109.493 178.653 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 267' ' ' GLU . . . . . 0.45 ' HG3' ' O ' ' A' ' 263' ' ' LYS . 48.3 mt-10 -64.48 -43.65 93.49 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.328 -0.619 . . . . 10.0 109.328 178.826 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 268' ' ' GLU . . . . . 0.434 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 27.2 mt-10 -59.67 -43.76 93.86 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.197 178.578 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 80.9 mmm -66.67 -39.92 88.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.492 . . . . 10.0 110.716 179.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -60.01 -48.3 82.27 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.514 -0.55 . . . . 10.0 109.514 178.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 95.4 mt -62.47 -42.8 99.74 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.971 -0.559 . . . . 10.0 110.386 179.17 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 272' ' ' TYR . . . . . 0.449 ' HD1' ' HA ' ' A' ' 272' ' ' TYR . 0.1 OUTLIER -65.42 -35.52 81.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.011 -0.541 . . . . 10.0 111.159 179.887 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 48.3 mtt180 -75.29 -37.44 60.87 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.148 0.499 . . . . 10.0 110.326 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -72.42 -17.92 61.76 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.596 179.324 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 275' ' ' LYS . . . . . 0.567 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 8.1 mptt -98.1 -37.32 9.78 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.232 -0.44 . . . . 10.0 111.189 179.266 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 5.4 p -56.75 -32.5 38.27 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.292 0 N-CA-C 112.624 0.602 . . . . 10.0 112.624 -178.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 83.4 mt-10 -67.03 -61.12 5.16 Favored Pre-proline 0 CA--C 1.534 0.36 0 N-CA-C 112.326 0.491 . . . . 10.0 112.326 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -61.43 -35.77 81.3 Favored 'Trans proline' 0 C--N 1.354 0.865 0 C-N-CA 121.756 1.637 . . . . 10.0 111.632 178.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 279' ' ' LEU . . . . . 0.64 ' O ' ' HG ' ' A' ' 283' ' ' LEU . 63.4 mt -66.8 -43.39 84.0 Favored 'General case' 0 CA--C 1.522 -0.132 0 CA-C-O 120.702 0.287 . . . . 10.0 110.248 179.281 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -58.97 -35.21 72.8 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 116.094 -0.503 . . . . 10.0 109.799 178.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -59.87 -50.88 72.04 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.014 178.721 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -62.92 -42.43 99.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.693 -0.685 . . . . 10.0 110.238 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 283' ' ' LEU . . . . . 0.64 ' HG ' ' O ' ' A' ' 279' ' ' LEU . 43.9 mt -65.09 -38.23 90.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.073 -0.512 . . . . 10.0 111.089 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -71.72 -54.67 9.55 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.377 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -61.36 -39.5 90.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.329 -0.396 . . . . 10.0 111.057 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -65.69 -44.35 92.62 Favored Glycine 0 N--CA 1.446 -0.679 0 N-CA-C 110.223 -1.151 . . . . 10.0 110.223 178.596 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -64.94 -39.57 93.71 Favored 'General case' 0 C--O 1.224 -0.27 0 N-CA-C 109.866 -0.42 . . . . 10.0 109.866 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -55.44 -47.0 76.69 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.154 -0.475 . . . . 10.0 109.833 178.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -68.33 -50.6 52.18 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.738 179.419 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 290' ' ' LYS . . . . . 0.431 ' O ' ' HG ' ' A' ' 294' ' ' LEU . 78.2 mttt -58.28 -43.81 88.15 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.288 0.477 . . . . 10.0 112.288 -179.215 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 88.3 mt -66.61 -42.76 86.33 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.718 0.294 . . . . 10.0 110.439 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 292' ' ' HIS . . . . . 0.409 ' O ' ' HG2' ' A' ' 296' ' ' GLU . 0.5 OUTLIER -65.17 -38.75 91.52 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.365 -0.606 . . . . 10.0 109.365 178.88 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 293' ' ' GLU . . . . . 0.472 ' O ' ' HG2' ' A' ' 297' ' ' LYS . 1.1 tp10 -60.19 -40.84 91.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.58 -0.736 . . . . 10.0 109.727 179.093 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 294' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 290' ' ' LYS . 87.5 mt -71.42 -35.4 70.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.739 -0.664 . . . . 10.0 110.0 179.111 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -67.39 -31.41 71.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.033 179.069 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 296' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' ' 292' ' ' HIS . 75.8 mm-40 -68.24 -10.39 54.23 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.764 -0.653 . . . . 10.0 109.994 178.486 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 297' ' ' LYS . . . . . 0.584 ' HB3' HD12 ' A' ' 301' ' ' LEU . 64.6 mmtt -107.48 -47.46 3.63 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.127 -0.694 . . . . 10.0 109.127 178.565 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 86.5 mt -59.54 -25.28 64.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.773 -0.649 . . . . 10.0 112.439 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 299' ' ' SER . . . . . 0.57 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 15.2 m -77.03 -66.07 0.35 Allowed Pre-proline 0 C--N 1.322 -0.594 0 CA-C-O 119.351 -0.357 . . . . 10.0 111.957 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 300' ' ' PRO . . . . . 0.57 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 39.6 Cg_endo -68.91 -50.0 0.63 Allowed 'Trans proline' 0 C--N 1.356 0.97 0 C-N-CA 121.654 1.569 . . . . 10.0 112.624 -179.745 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 301' ' ' LEU . . . . . 0.629 HD13 ' HG2' ' D' ' 473' ' ' LYS . 85.2 mt -65.83 -32.02 73.31 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 120.752 0.311 . . . . 10.0 110.512 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 302' ' ' GLY . . . . . 0.516 ' O ' ' HG3' ' A' ' 306' ' ' ARG . . . -70.32 -43.82 61.4 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 110.739 -0.945 . . . . 10.0 110.739 178.565 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -62.35 -45.9 91.07 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.023 -0.732 . . . . 10.0 109.023 178.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -62.61 -38.64 90.96 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.356 -0.838 . . . . 10.0 109.239 178.579 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 305' ' ' MET . . . . . 0.404 ' SD ' HD13 ' D' ' 469' ' ' LEU . 11.6 tpt -62.75 -39.36 93.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.429 179.106 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 306' ' ' ARG . . . . . 0.516 ' HG3' ' O ' ' A' ' 302' ' ' GLY . 47.1 mtt180 -63.71 -40.43 96.76 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.006 -0.543 . . . . 10.0 109.659 178.755 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -70.14 -36.58 74.86 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.213 179.279 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 308' ' ' ARG . . . . . 0.464 ' HD2' ' OE2' ' D' ' 465' ' ' GLU . 8.4 mmt85 -69.2 -35.5 76.29 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.229 -0.656 . . . . 10.0 109.229 178.256 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 309' ' ' ALA . . . . . 0.512 ' O ' HG23 ' A' ' 313' ' ' VAL . . . -62.72 -40.27 96.66 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 108.331 -0.989 . . . . 10.0 108.331 178.046 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 310' ' ' ARG . . . . . 0.516 ' HG3' ' O ' ' A' ' 306' ' ' ARG . 76.8 mtt180 -59.1 -49.47 77.77 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-N 115.308 -0.86 . . . . 10.0 108.75 178.077 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -60.77 -39.44 88.82 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.748 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -60.47 -54.01 50.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.893 -0.594 . . . . 10.0 109.993 179.303 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 313' ' ' VAL . . . . . 0.799 HG12 ' HE ' ' A' ' 317' ' ' ARG . 9.5 t -71.94 -26.38 25.37 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.24 0 CA-C-N 115.629 -0.714 . . . . 10.0 111.272 -179.453 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -64.2 -49.3 72.55 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 109.25 -0.648 . . . . 10.0 109.25 178.711 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -64.41 -37.38 87.31 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.669 -0.696 . . . . 10.0 109.209 178.736 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 316' ' ' LEU . . . . . 0.462 HD12 ' HA ' ' A' ' 313' ' ' VAL . 29.3 mt -63.82 -51.96 62.36 Favored 'General case' 0 C--O 1.22 -0.48 0 CA-C-N 115.685 -0.689 . . . . 10.0 110.1 179.106 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 317' ' ' ARG . . . . . 0.799 ' HE ' HG12 ' A' ' 313' ' ' VAL . 32.4 mtm180 -63.11 -43.52 98.2 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.799 0.296 . . . . 10.0 111.799 -179.474 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 26.0 m -63.39 -30.71 71.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.823 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 14.6 m170 -90.18 -33.62 16.14 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.985 -0.286 . . . . 10.0 111.68 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 31.7 mt -67.89 -31.09 70.64 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.944 0.35 . . . . 10.0 111.944 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 321' ' ' ALA . . . . . 0.409 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -55.36 -60.01 9.51 Favored Pre-proline 0 CA--C 1.536 0.411 0 N-CA-C 111.975 0.361 . . . . 10.0 111.975 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 322' ' ' PRO . . . . . 0.409 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 40.8 Cg_endo -69.53 -28.04 26.85 Favored 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 121.274 1.316 . . . . 10.0 111.489 178.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 323' ' ' TYR . . . . . 0.481 ' CD1' ' HE3' ' D' ' 451' ' ' LYS . 10.6 m-30 -66.9 -47.93 70.3 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 116.5 -0.318 . . . . 10.0 111.166 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 324' ' ' SER . . . . . 0.477 ' HA ' HD12 ' A' ' 327' ' ' LEU . 22.0 p -65.57 -36.97 85.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.792 0.33 . . . . 10.0 110.35 179.708 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -62.74 -38.55 90.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.175 0.512 . . . . 10.0 109.621 178.358 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -72.54 -31.9 65.65 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 109.258 -0.645 . . . . 10.0 109.258 178.115 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 327' ' ' LEU . . . . . 0.477 HD12 ' HA ' ' A' ' 324' ' ' SER . 53.5 mt -64.91 -32.84 74.74 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 108.89 -0.782 . . . . 10.0 108.89 177.567 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 328' ' ' ARG . . . . . 0.403 ' HG3' ' O ' ' A' ' 324' ' ' SER . 69.9 mtt180 -64.05 -44.0 93.79 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 108.645 -0.872 . . . . 10.0 108.645 178.254 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -64.35 -38.38 90.84 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.537 -0.756 . . . . 10.0 109.477 178.443 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 330' ' ' ARG . . . . . 0.443 ' NH2' ' HA ' ' D' ' 444' ' ' ASP . 35.0 mtt-85 -63.8 -50.55 68.5 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 109.15 -0.685 . . . . 10.0 109.15 178.613 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 48.6 mt -58.59 -43.85 89.65 Favored 'General case' 0 C--O 1.223 -0.341 0 CA-C-N 115.441 -0.8 . . . . 10.0 110.077 178.734 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -63.22 -52.48 62.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.666 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -58.92 -42.94 90.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 10.0 110.859 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 334' ' ' ARG . . . . . 0.468 ' O ' ' HG ' ' A' ' 338' ' ' LEU . 49.7 mtt-85 -66.77 -43.57 83.7 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.234 179.216 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 335' ' ' LEU . . . . . 0.45 ' HB3' ' HE3' ' A' ' 339' ' ' LYS . 30.8 mt -61.03 -43.38 98.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.598 -0.273 . . . . 10.0 110.709 178.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -62.93 -42.46 99.81 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.71 0.29 . . . . 10.0 110.413 179.238 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -63.5 -40.38 96.9 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.341 -0.614 . . . . 10.0 109.341 178.409 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 338' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 334' ' ' ARG . 96.0 mt -70.62 -17.78 62.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.111 -0.95 . . . . 10.0 110.6 178.744 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 339' ' ' LYS . . . . . 0.45 ' HE3' ' HB3' ' A' ' 335' ' ' LEU . 68.6 mttt -86.0 -47.65 9.39 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.372 -0.603 . . . . 10.0 109.372 178.476 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -60.33 -55.18 36.72 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.762 -0.654 . . . . 10.0 109.677 178.481 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -73.24 -31.34 64.07 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.666 -0.697 . . . . 10.0 110.486 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 342' ' ' GLY . . . . . 0.417 ' HA3' ' O ' ' A' ' 338' ' ' LEU . . . -63.13 -47.84 84.9 Favored Glycine 0 N--CA 1.454 -0.116 0 C-N-CA 120.994 -0.622 . . . . 10.0 111.875 179.654 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -60.39 -41.24 98.44 Favored Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 110.887 -0.885 . . . . 10.0 110.887 178.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -65.51 -44.42 87.05 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.701 -0.481 . . . . 10.0 109.701 178.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 10.1 mtm180 -60.62 -46.47 90.17 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.647 179.321 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 91.9 mt -59.91 -47.82 84.22 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.209 -0.451 . . . . 10.0 110.915 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.58 -49.04 79.13 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.499 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -63.73 -40.1 95.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.852 179.446 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -61.96 -43.97 97.74 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.426 -0.352 . . . . 10.0 110.319 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 48.0 m-70 -70.48 -34.83 72.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.378 -0.373 . . . . 10.0 110.441 179.332 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -65.63 -47.38 75.81 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.036 -0.727 . . . . 10.0 109.036 178.123 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 10.7 mtmm -63.29 -37.23 86.44 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 115.554 -0.748 . . . . 10.0 109.537 178.166 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 353' ' ' ALA . . . . . 0.465 ' O ' ' HG ' ' A' ' 357' ' ' LEU . . . -65.07 -37.92 89.09 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.709 -0.678 . . . . 10.0 109.638 179.096 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 40.3 m -63.77 -47.06 82.48 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.224 -0.443 . . . . 10.0 109.819 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -64.32 -36.98 85.9 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.191 0.519 . . . . 10.0 109.856 178.534 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -67.31 -35.38 79.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.436 -0.802 . . . . 10.0 109.833 178.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 357' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 353' ' ' ALA . 56.2 mt -68.26 -36.41 79.39 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.525 178.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 15.8 m -64.35 -46.33 83.91 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.744 -0.465 . . . . 10.0 109.744 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.48 -26.21 62.6 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.186 0.517 . . . . 10.0 110.168 179.07 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 31.3 tp -71.99 -31.0 65.83 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 108.835 -0.802 . . . . 10.0 108.835 178.073 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 49.1 m -68.16 -28.66 67.48 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.55 -0.75 . . . . 10.0 109.303 178.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 362' ' ' GLU . . . . . 0.423 ' O ' ' HD2' ' A' ' 366' ' ' PRO . 36.5 mm-40 -68.2 -25.82 65.41 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 108.765 -0.828 . . . . 10.0 108.765 177.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 363' ' ' LYS . . . . . 0.816 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 96.2 mttt -88.33 -32.05 18.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.437 -0.801 . . . . 10.0 109.893 178.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 364' ' ' ALA . . . . . 0.58 ' HA ' HD12 ' A' ' 368' ' ' LEU . . . -78.73 -39.52 36.05 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.9 0.704 . . . . 10.0 112.9 -178.733 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 365' ' ' LYS . . . . . 1.017 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 73.7 mttt -93.62 -74.29 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 113.057 0.762 . . . . 10.0 113.057 -179.296 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 366' ' ' PRO . . . . . 1.017 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 34.6 Cg_exo -63.11 -57.4 0.41 Allowed 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 122.18 1.92 . . . . 10.0 113.481 -179.131 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 367' ' ' ALA . . . . . 0.816 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -57.45 -49.26 76.83 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 113.079 0.77 . . . . 10.0 113.079 -178.388 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 368' ' ' LEU . . . . . 0.58 HD12 ' HA ' ' A' ' 364' ' ' ALA . 11.0 mt -64.36 -41.14 96.89 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.698 0.259 . . . . 10.0 111.698 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -62.35 -46.36 89.03 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.348 -0.612 . . . . 10.0 109.348 178.713 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -57.52 -43.09 83.99 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.632 -0.713 . . . . 10.0 110.204 178.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 13.2 mt -60.47 -48.83 80.03 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.028 178.779 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 372' ' ' ARG . . . . . 0.505 ' O ' ' HG ' ' A' ' 376' ' ' LEU . 78.0 mtt180 -63.29 -40.45 97.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.062 -0.517 . . . . 10.0 111.065 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -61.07 -41.85 97.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.399 179.223 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -75.74 -23.68 71.9 Favored Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.68 -0.691 . . . . 10.0 112.35 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 20.7 mt -81.81 -26.67 34.16 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.027 0.38 . . . . 10.0 112.027 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 376' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 372' ' ' ARG . 89.2 mt -50.47 -58.92 8.35 Favored Pre-proline 0 CA--C 1.535 0.37 0 N-CA-C 112.541 0.571 . . . . 10.0 112.541 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -67.47 -28.98 38.15 Favored 'Trans proline' 0 C--N 1.357 0.975 0 C-N-CA 121.892 1.728 . . . . 10.0 111.387 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 378' ' ' VAL . . . . . 0.432 ' O ' ' HB2' ' A' ' 382' ' ' PHE . 44.5 t -63.81 -42.2 95.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.223 179.486 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 82.0 mt -62.66 -36.7 83.7 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.585 -0.524 . . . . 10.0 109.585 179.075 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 380' ' ' GLU . . . . . 0.546 ' O ' HG23 ' A' ' 384' ' ' VAL . 22.3 mt-10 -68.58 -51.76 39.11 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.668 -0.697 . . . . 10.0 110.921 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 10.8 p -62.98 -35.1 79.05 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.009 0.433 . . . . 10.0 110.732 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 382' ' ' PHE . . . . . 0.432 ' HB2' ' O ' ' A' ' 378' ' ' VAL . 1.7 t80 -66.87 -40.65 87.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.168 -0.469 . . . . 10.0 109.812 178.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -62.59 -39.96 95.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.033 -0.53 . . . . 10.0 110.656 179.277 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 384' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 380' ' ' GLU . 50.8 t -57.9 -50.95 76.13 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-O 120.939 0.4 . . . . 10.0 109.922 179.217 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 14.8 m -68.62 -30.85 69.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.825 -0.625 . . . . 10.0 111.459 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -71.06 -47.41 58.59 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.539 -0.3 . . . . 10.0 110.733 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 387' ' ' LEU . . . . . 0.427 ' O ' ' HG3' ' A' ' 391' ' ' GLU . 94.7 mt -60.82 -43.72 97.85 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.522 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 388' ' ' SER . . . . . 0.821 ' HB2' ' HE2' ' D' ' 594' ' ' LYS . 3.3 p -66.74 -37.19 84.17 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.47 179.563 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -63.77 -40.23 96.18 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.978 0.418 . . . . 10.0 110.111 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 81.2 mt -62.89 -38.8 92.35 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.428 -0.582 . . . . 10.0 109.428 178.718 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 391' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' A' ' 387' ' ' LEU . 51.5 mt-10 -69.62 -38.29 77.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.637 -0.71 . . . . 10.0 109.562 178.5 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -55.3 -47.9 74.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.38 178.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -64.18 -44.5 91.84 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.543 -0.753 . . . . 10.0 110.119 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 394' ' ' THR . . . . . 0.417 ' O ' ' HB3' ' A' ' 398' ' ' ASN . 14.3 m -65.24 -34.69 78.96 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.093 -0.503 . . . . 10.0 111.958 -179.376 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -75.99 -35.91 59.42 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.713 0.635 . . . . 10.0 112.713 -179.125 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 396' ' ' LYS . . . . . 0.648 ' HG2' ' HB2' ' D' ' 587' ' ' ALA . 0.1 OUTLIER -93.5 -28.36 16.12 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 113.914 1.079 . . . . 10.0 113.914 -178.352 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 92.2 mt -98.45 0.74 45.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.776 0.322 . . . . 10.0 111.635 -179.498 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 398' ' ' ASN . . . . . 0.417 ' HB3' ' O ' ' A' ' 394' ' ' THR . 28.4 t30 . . . . . 0 C--N 1.321 -0.657 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.777 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.456 -0.171 0 CA-C-O 120.836 0.35 . . . . 10.0 110.391 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 400' ' ' LYS . . . . . 0.416 ' HB2' ' NZ ' ' D' ' 400' ' ' LYS . 0.0 OUTLIER -86.94 36.57 0.73 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.05 -179.767 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 75.7 mt -68.61 -43.54 76.19 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.613 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 402' ' ' LEU . . . . . 0.491 ' H ' HD12 ' D' ' 402' ' ' LEU . 5.4 mp -64.58 -32.43 74.08 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.967 -0.561 . . . . 10.0 110.594 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -63.43 -56.44 16.17 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.668 -0.697 . . . . 10.0 109.838 179.276 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 404' ' ' ASN . . . . . 0.404 ' O ' HG23 ' D' ' 408' ' ' VAL . 63.2 t30 -61.99 -37.64 85.59 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.928 -0.578 . . . . 10.0 109.977 179.501 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -59.29 -40.71 87.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.793 -0.639 . . . . 10.0 110.911 179.227 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -64.23 -44.14 92.78 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 109.951 -0.389 . . . . 10.0 109.951 179.348 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 5.1 m -59.78 -45.54 91.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.273 178.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 408' ' ' VAL . . . . . 0.404 HG23 ' O ' ' D' ' 404' ' ' ASN . 70.6 t -60.37 -45.32 96.73 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.145 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.381 179.095 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 24.1 m -62.32 -35.14 78.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.07 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 14.4 m -66.84 -34.21 77.31 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.224 179.247 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 411' ' ' THR . . . . . 0.479 HG22 ' HE2' ' A' ' 363' ' ' LYS . 0.1 OUTLIER -71.32 -27.73 63.6 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 109.509 -0.552 . . . . 10.0 109.509 178.668 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -70.88 -37.21 73.03 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 108.725 -0.842 . . . . 10.0 108.725 177.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 13.0 m -61.86 -43.85 98.01 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 108.97 -0.752 . . . . 10.0 108.97 177.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 414' ' ' LYS . . . . . 0.451 ' HD3' ' HA ' ' D' ' 414' ' ' LYS . 58.3 mmtt -65.41 -28.64 69.4 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.123 -0.49 . . . . 10.0 110.262 178.63 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.04 -45.57 66.84 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 108.29 -1.004 . . . . 10.0 108.29 178.055 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 74.8 mtt180 -63.11 -32.76 74.21 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.412 -0.813 . . . . 10.0 110.219 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -62.87 -38.84 92.47 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.319 0.58 . . . . 10.0 109.865 178.347 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 418' ' ' GLN . . . . . 0.573 ' O ' ' HB ' ' D' ' 422' ' ' VAL . 46.0 mt-30 -76.55 -37.33 56.8 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.687 -0.688 . . . . 10.0 110.473 179.523 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 62.2 mt -71.04 9.97 0.63 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.008 -0.542 . . . . 10.0 112.174 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -99.97 -79.99 1.48 Allowed Glycine 0 N--CA 1.444 -0.784 0 N-CA-C 110.919 -0.872 . . . . 10.0 110.919 178.541 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 421' ' ' PRO . . . . . 0.469 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 25.6 Cg_exo -65.31 -41.3 16.36 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.7 2.267 . . . . 10.0 112.203 179.445 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 422' ' ' VAL . . . . . 0.573 ' HB ' ' O ' ' D' ' 418' ' ' GLN . 83.1 t -57.52 -41.45 78.92 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.168 0 N-CA-C 112.381 0.512 . . . . 10.0 112.381 -179.172 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 6.4 p -68.17 -41.15 81.91 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.553 -0.459 . . . . 10.0 110.144 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -62.05 -48.25 81.06 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.796 179.275 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 425' ' ' GLU . . . . . 0.469 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 11.9 pt-20 -70.69 -32.26 69.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.044 -0.526 . . . . 10.0 110.672 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 426' ' ' PHE . . . . . 0.419 ' O ' ' HG ' ' D' ' 430' ' ' LEU . 24.4 t80 -66.72 -38.32 86.48 Favored 'General case' 0 CA--C 1.52 -0.208 0 N-CA-C 109.175 -0.676 . . . . 10.0 109.175 178.449 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 11.4 m0 -65.82 -39.77 91.19 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.26 -0.644 . . . . 10.0 109.26 178.247 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -66.25 -38.03 86.88 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.618 -0.882 . . . . 10.0 108.618 178.029 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -64.11 -47.62 79.29 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.757 -0.831 . . . . 10.0 108.757 177.499 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 430' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' D' ' 426' ' ' PHE . 74.9 mt -61.39 -37.07 82.09 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.529 -0.759 . . . . 10.0 109.725 179.186 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -61.76 -43.53 98.67 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.222 -0.658 . . . . 10.0 109.222 178.685 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 23.9 mttp -61.9 -42.91 99.63 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 108.679 -0.86 . . . . 10.0 108.679 178.02 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -63.0 -45.13 93.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.663 -0.699 . . . . 10.0 110.275 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 6.6 m -62.59 -46.45 88.26 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 110.067 -0.346 . . . . 10.0 110.067 179.228 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 435' ' ' GLU . . . . . 0.481 ' OE1' ' HD2' ' D' ' 438' ' ' ARG . 4.6 mm-40 -64.47 -43.27 94.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.942 179.467 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -64.06 -43.58 97.09 Favored Glycine 0 N--CA 1.452 -0.296 0 N-CA-C 110.86 -0.896 . . . . 10.0 110.86 178.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 84.2 mt -66.57 -31.65 72.49 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.989 -0.375 . . . . 10.0 109.989 178.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 438' ' ' ARG . . . . . 0.481 ' HD2' ' OE1' ' D' ' 435' ' ' GLU . 50.6 mtt180 -62.75 -35.83 81.06 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 109.952 -0.388 . . . . 10.0 109.952 178.589 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -65.46 -35.77 81.89 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 109.153 -0.684 . . . . 10.0 109.153 178.727 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 78.1 mt-10 -75.2 -49.83 18.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.862 -0.608 . . . . 10.0 109.63 178.584 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 97.7 mmm -58.88 -40.28 83.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.741 -0.663 . . . . 10.0 112.76 -178.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 5.7 p -61.56 -49.92 74.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.894 0.378 . . . . 10.0 110.048 179.362 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -65.15 -39.71 93.35 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.001 -0.545 . . . . 10.0 109.865 179.057 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 444' ' ' ASP . . . . . 0.443 ' HA ' ' NH2' ' A' ' 330' ' ' ARG . 9.2 t70 -60.76 -56.68 18.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.545 -0.752 . . . . 10.0 111.119 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 86.5 mt -65.83 -43.29 89.01 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.882 -0.599 . . . . 10.0 112.501 -178.696 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -61.98 -45.3 94.25 Favored 'General case' 0 CA--C 1.518 -0.27 0 C-N-CA 120.764 -0.374 . . . . 10.0 110.312 179.236 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 447' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -68.49 -36.33 78.78 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.918 -0.401 . . . . 10.0 109.918 178.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 2.0 t -55.19 -39.64 52.04 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.05 0 CA-C-O 120.845 0.355 . . . . 10.0 110.358 179.147 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -60.78 -39.7 89.82 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.217 0.532 . . . . 10.0 110.196 178.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -89.85 0.39 57.07 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.751 -0.659 . . . . 10.0 111.642 -179.327 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 451' ' ' LYS . . . . . 0.481 ' HE3' ' CD1' ' A' ' 323' ' ' TYR . 5.3 mmmm -107.2 -45.45 4.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.594 0.235 . . . . 10.0 110.895 179.523 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 82.6 t -64.85 -36.23 77.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.397 -0.365 . . . . 10.0 111.227 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -57.62 -60.9 8.43 Favored Pre-proline 0 CA--C 1.536 0.408 0 C-N-CA 121.06 -0.256 . . . . 10.0 111.644 179.58 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -66.86 -30.35 40.46 Favored 'Trans proline' 0 C--N 1.353 0.809 0 C-N-CA 121.944 1.762 . . . . 10.0 111.368 178.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 455' ' ' TYR . . . . . 0.405 ' O ' ' HB2' ' D' ' 459' ' ' PHE . 78.4 t80 -61.56 -47.71 84.26 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.229 -0.656 . . . . 10.0 109.229 178.85 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 21.1 mt -67.19 -37.3 83.44 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.589 -0.732 . . . . 10.0 110.856 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -67.18 -50.83 59.62 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.977 0.418 . . . . 10.0 110.348 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -61.09 -40.37 93.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.592 -0.731 . . . . 10.0 110.437 179.346 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 459' ' ' PHE . . . . . 0.405 ' HB2' ' O ' ' D' ' 455' ' ' TYR . 1.7 m-85 -70.71 -40.64 72.7 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.458 179.017 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -63.67 -36.69 84.66 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 110.146 -0.316 . . . . 10.0 110.146 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 57.4 mttt -62.97 -37.33 86.69 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 109.011 -0.737 . . . . 10.0 109.011 177.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 15.0 mtmm -71.16 -34.95 71.45 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.099 -0.5 . . . . 10.0 109.975 178.357 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 38.3 m0 -69.74 -38.75 76.93 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.736 -0.838 . . . . 10.0 108.736 178.13 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -61.26 -52.1 66.15 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 115.635 -0.711 . . . . 10.0 109.353 178.477 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 465' ' ' GLU . . . . . 0.532 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 12.5 mt-10 -52.8 -53.71 44.56 Favored 'General case' 0 C--N 1.333 -0.15 0 O-C-N 123.675 0.609 . . . . 10.0 110.152 178.76 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.18 -40.33 89.62 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.152 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 33.1 ttm -63.07 -46.26 88.28 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 120.98 0.419 . . . . 10.0 110.469 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -64.79 -39.77 94.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.916 -0.583 . . . . 10.0 109.743 178.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 469' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' D' ' 465' ' ' GLU . 97.4 mt -61.98 -39.67 92.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.791 -0.64 . . . . 10.0 110.389 178.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 18.9 m-30 -64.95 -30.93 71.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.918 0.39 . . . . 10.0 110.761 179.251 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 471' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' D' ' 471' ' ' ARG . 63.2 mtt180 -70.6 -26.97 63.75 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.223 179.728 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -107.64 2.25 23.76 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.951 -179.021 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 473' ' ' LYS . . . . . 0.629 ' HG2' HD13 ' A' ' 301' ' ' LEU . 88.8 mttt -127.15 -66.49 0.89 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.477 -0.329 . . . . 10.0 110.907 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 55.6 t -56.43 -44.5 80.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.533 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 475' ' ' GLU . . . . . 0.703 ' HB2' ' HD3' ' D' ' 476' ' ' PRO . 35.7 mt-10 -63.86 -60.73 8.29 Favored Pre-proline 0 CA--C 1.541 0.596 0 N-CA-C 112.25 0.463 . . . . 10.0 112.25 179.525 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 476' ' ' PRO . . . . . 0.703 ' HD3' ' HB2' ' D' ' 475' ' ' GLU . 68.9 Cg_exo -56.67 -39.21 92.92 Favored 'Trans proline' 0 C--N 1.355 0.872 0 C-N-CA 122.385 2.057 . . . . 10.0 111.557 179.047 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 477' ' ' LEU . . . . . 0.516 HD21 ' HG3' ' A' ' 297' ' ' LYS . 19.3 mt -67.86 -31.62 71.56 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 116.485 -0.325 . . . . 10.0 110.815 179.485 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 17.4 ttm180 -64.75 -41.21 96.07 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.265 -0.643 . . . . 10.0 109.265 178.623 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -71.24 -38.68 71.95 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.726 -0.67 . . . . 10.0 109.807 179.133 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -64.5 -47.96 76.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.621 -0.718 . . . . 10.0 109.699 179.135 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 76.9 mt -66.84 -32.11 73.16 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.746 -0.661 . . . . 10.0 110.454 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -66.38 -40.63 89.81 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.584 -0.524 . . . . 10.0 109.584 178.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -70.72 -42.63 70.31 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 109.439 -0.578 . . . . 10.0 109.439 179.13 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -61.71 -39.51 97.53 Favored Glycine 0 N--CA 1.45 -0.388 0 N-CA-C 110.257 -1.137 . . . . 10.0 110.257 178.078 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -69.08 -36.58 77.77 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.166 -0.679 . . . . 10.0 109.166 178.406 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 67.9 mtt180 -62.24 -44.4 96.65 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.126 -0.694 . . . . 10.0 109.126 178.418 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -63.9 -41.98 97.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.601 -0.727 . . . . 10.0 109.343 178.153 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -65.09 -36.9 85.77 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.848 -0.615 . . . . 10.0 109.751 178.612 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 27.8 mt -63.81 -38.73 92.17 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 108.537 -0.912 . . . . 10.0 108.537 178.304 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -67.59 -42.13 82.97 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 108.48 -0.933 . . . . 10.0 108.48 178.278 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -57.66 -43.14 84.74 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 108.273 -1.01 . . . . 10.0 108.273 177.713 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 93.2 mt -67.53 -39.62 85.04 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.583 -0.735 . . . . 10.0 110.705 178.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -58.87 -42.01 88.41 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.769 0.319 . . . . 10.0 110.353 179.166 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -77.19 13.8 1.06 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.921 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 495' ' ' LYS . . . . . 0.563 ' HE3' HD22 ' A' ' 279' ' ' LEU . 30.0 mttp -128.72 -45.86 1.3 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.113 -0.494 . . . . 10.0 109.745 178.738 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 496' ' ' LEU . . . . . 0.488 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 96.3 mt -59.77 -33.24 71.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.998 -0.547 . . . . 10.0 111.301 179.801 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 497' ' ' SER . . . . . 0.509 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 6.0 m -77.23 -65.9 0.35 Allowed Pre-proline 0 CA--C 1.538 0.494 0 CA-C-O 119.424 -0.322 . . . . 10.0 111.571 179.683 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 498' ' ' PRO . . . . . 0.509 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 25.6 Cg_endo -61.56 -53.02 2.56 Favored 'Trans proline' 0 C--N 1.358 1.065 0 C-N-CA 121.721 1.614 . . . . 10.0 112.574 -179.547 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 499' ' ' LEU . . . . . 0.518 HD21 ' HG2' ' A' ' 275' ' ' LYS . 78.7 mt -68.51 -25.8 65.13 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.915 0.388 . . . . 10.0 110.681 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 500' ' ' GLY . . . . . 0.488 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -71.93 -50.08 19.94 Favored Glycine 0 N--CA 1.448 -0.512 0 N-CA-C 110.45 -1.06 . . . . 10.0 110.45 178.619 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -63.44 -36.27 83.19 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 108.984 -0.747 . . . . 10.0 108.984 178.275 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 502' ' ' GLU . . . . . 0.44 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 32.7 tt0 -65.95 -41.2 91.55 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.522 -0.763 . . . . 10.0 109.247 178.675 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 503' ' ' MET . . . . . 0.432 ' HA ' ' HD2' ' D' ' 506' ' ' ARG . 3.3 tmm? -62.85 -40.42 97.4 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 108.783 -0.821 . . . . 10.0 108.783 178.31 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 504' ' ' ARG . . . . . 0.42 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 97.7 mtt180 -63.08 -43.09 99.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.398 -0.819 . . . . 10.0 109.513 178.472 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.86 -44.03 97.22 Favored 'General case' 0 N--CA 1.462 0.16 0 N-CA-C 109.675 -0.491 . . . . 10.0 109.675 178.56 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 506' ' ' ARG . . . . . 0.44 ' HG3' ' O ' ' D' ' 502' ' ' GLU . 46.8 mtt180 -60.0 -46.36 89.72 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 108.904 -0.776 . . . . 10.0 108.904 178.199 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -60.14 -41.6 93.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.605 -0.725 . . . . 10.0 109.942 179.144 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 508' ' ' ARG . . . . . 0.42 ' HG3' ' O ' ' D' ' 504' ' ' ARG . 74.7 mtt180 -60.02 -46.08 90.69 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 109.742 -0.466 . . . . 10.0 109.742 178.572 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 509' ' ' ALA . . . . . 0.694 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -65.74 -34.97 79.42 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.645 -0.707 . . . . 10.0 110.986 179.713 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 510' ' ' HIS . . . . . 0.579 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 7.3 m-70 -73.68 -49.89 23.59 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.29 -0.414 . . . . 10.0 110.429 179.148 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 62.2 t -62.12 -43.01 97.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.501 . . . . 10.0 110.95 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 512' ' ' ASP . . . . . 0.586 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 11.1 t70 -64.4 -35.45 80.95 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 109.849 -0.426 . . . . 10.0 109.849 179.356 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -68.16 -39.1 82.67 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 108.652 -0.87 . . . . 10.0 108.652 178.305 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 514' ' ' LEU . . . . . 0.579 ' HG ' ' O ' ' D' ' 510' ' ' HIS . 88.1 mt -61.47 -30.83 70.85 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.126 178.6 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 515' ' ' ARG . . . . . 0.586 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 90.4 mtt180 -68.98 -26.7 65.16 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.123 -0.49 . . . . 10.0 110.213 178.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -105.45 1.87 28.09 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.177 0.513 . . . . 10.0 110.951 179.691 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -115.0 -57.64 2.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.245 -0.434 . . . . 10.0 111.54 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 72.5 mt -75.59 -49.39 18.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.947 -0.57 . . . . 10.0 112.449 -178.471 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 519' ' ' ALA . . . . . 0.642 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -52.63 -56.86 18.81 Favored Pre-proline 0 CA--C 1.534 0.363 0 N-CA-C 112.592 0.589 . . . . 10.0 112.592 -179.49 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 520' ' ' PRO . . . . . 0.642 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 40.7 Cg_exo -60.13 -39.94 64.82 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 121.824 1.683 . . . . 10.0 110.959 179.071 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 521' ' ' TYR . . . . . 0.486 ' O ' ' HG ' ' D' ' 525' ' ' LEU . 20.3 t80 -61.69 -39.37 91.22 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.401 179.695 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 522' ' ' SER . . . . . 0.433 ' O ' ' HG3' ' D' ' 526' ' ' ARG . 45.2 m -63.71 -38.31 90.65 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 109.476 -0.564 . . . . 10.0 109.476 178.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 523' ' ' ASP . . . . . 0.847 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 13.5 t70 -68.31 -39.3 82.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.85 -0.614 . . . . 10.0 109.844 179.155 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -64.66 -42.24 95.54 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 108.552 -0.907 . . . . 10.0 108.552 177.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 525' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' D' ' 521' ' ' TYR . 80.5 mt -64.83 -29.46 70.42 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-N 115.429 -0.805 . . . . 10.0 110.451 178.838 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 526' ' ' ARG . . . . . 0.847 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 94.0 mtt180 -62.53 -42.77 99.74 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.075 -0.713 . . . . 10.0 109.075 178.295 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -67.76 -39.46 84.17 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.773 -0.649 . . . . 10.0 110.314 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 528' ' ' ARG . . . . . 0.612 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 76.0 mtt180 -71.4 -47.96 52.78 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.782 -0.644 . . . . 10.0 110.932 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 26.7 mt -61.73 -33.72 74.54 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.558 -0.292 . . . . 10.0 110.43 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 530' ' ' ALA . . . . . 0.49 ' O ' ' HB2' ' D' ' 534' ' ' GLU . . . -61.68 -43.61 98.53 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.174 -0.676 . . . . 10.0 109.174 178.325 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -69.71 -40.07 76.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.705 -0.679 . . . . 10.0 109.968 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -62.1 -51.55 67.45 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.821 -0.627 . . . . 10.0 109.915 178.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 533' ' ' LEU . . . . . 0.633 HD23 HD12 ' D' ' 536' ' ' LEU . 75.0 mt -64.87 -33.02 75.02 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.41 178.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 534' ' ' GLU . . . . . 0.748 ' HA ' ' HE3' ' D' ' 537' ' ' LYS . 19.5 tt0 -62.49 -44.4 96.47 Favored 'General case' 0 CA--C 1.518 -0.26 0 N-CA-C 108.911 -0.774 . . . . 10.0 108.911 178.565 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -66.49 -37.91 86.13 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 108.851 -0.796 . . . . 10.0 108.851 178.128 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 536' ' ' LEU . . . . . 0.633 HD12 HD23 ' D' ' 533' ' ' LEU . 87.6 mt -67.14 -26.24 66.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.879 178.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 537' ' ' LYS . . . . . 0.748 ' HE3' ' HA ' ' D' ' 534' ' ' GLU . 44.1 mtmt -83.01 -33.94 26.4 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.082 -0.71 . . . . 10.0 109.082 178.457 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -72.16 -57.66 4.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.389 -0.823 . . . . 10.0 109.864 179.067 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 13.8 m-20 -68.59 -33.34 73.88 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.454 -0.573 . . . . 10.0 109.454 179.335 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -65.53 -39.79 95.78 Favored Glycine 0 N--CA 1.445 -0.73 0 N-CA-C 110.52 -1.032 . . . . 10.0 110.52 178.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -64.44 -39.17 96.67 Favored Glycine 0 N--CA 1.447 -0.576 0 N-CA-C 109.889 -1.284 . . . . 10.0 109.889 178.413 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -66.31 -44.59 83.01 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.92 -0.77 . . . . 10.0 108.92 178.134 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 60.7 mtt85 -60.53 -40.54 91.89 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-N 115.7 -0.682 . . . . 10.0 109.98 178.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 13.8 mt -61.67 -48.44 80.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 10.0 110.141 178.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -62.71 -41.82 99.34 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.714 -0.676 . . . . 10.0 110.099 179.512 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -65.82 -41.13 92.2 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.821 -0.627 . . . . 10.0 109.967 178.742 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 547' ' ' TYR . . . . . 0.562 ' HE1' ' HZ ' ' A' ' 228' ' ' PHE . 0.5 OUTLIER -65.02 -34.52 78.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.124 -0.489 . . . . 10.0 109.903 179.084 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 9.2 m80 -69.91 -43.01 72.57 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.221 -0.659 . . . . 10.0 109.221 178.472 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -66.25 -51.3 58.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.783 -0.644 . . . . 10.0 110.287 179.49 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 550' ' ' LYS . . . . . 0.518 ' HD3' HG22 ' A' ' 224' ' ' VAL . 0.1 OUTLIER -65.14 -27.09 68.49 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.054 -0.521 . . . . 10.0 111.63 -179.774 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -66.85 -39.61 87.65 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.079 -0.711 . . . . 10.0 109.079 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 14.9 m -66.54 -44.88 81.2 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.72 -0.844 . . . . 10.0 108.72 178.44 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -61.61 -49.64 75.79 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 115.693 -0.685 . . . . 10.0 109.862 178.382 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 79.7 t60 -59.13 -40.36 85.23 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.142 179.426 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 12.4 tp -64.66 -45.25 87.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.013 -0.54 . . . . 10.0 111.093 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 5.0 p -60.0 -44.25 94.67 Favored 'General case' 0 CA--C 1.529 0.155 0 N-CA-C 111.898 0.333 . . . . 10.0 111.898 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -68.65 -29.96 68.55 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.934 0.397 . . . . 10.0 110.834 179.371 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 22.0 mt -66.59 -50.57 62.61 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 115.973 -0.558 . . . . 10.0 109.645 178.773 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 1.8 p -67.43 -34.67 77.7 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.616 -0.513 . . . . 10.0 109.616 178.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -58.52 -27.51 64.58 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.436 -0.802 . . . . 10.0 110.45 178.596 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.35 -41.56 6.99 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.519 179.082 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -56.02 -48.72 75.43 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.577 0.584 . . . . 10.0 112.577 -179.429 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 563' ' ' LYS . . . . . 0.421 ' HB2' ' HD3' ' D' ' 564' ' ' PRO . 93.4 mttt -54.16 -60.85 6.47 Favored Pre-proline 0 CA--C 1.535 0.377 0 N-CA-C 112.715 0.635 . . . . 10.0 112.715 -179.241 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 564' ' ' PRO . . . . . 0.421 ' HD3' ' HB2' ' D' ' 563' ' ' LYS . 52.6 Cg_endo -68.46 -34.97 18.97 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 121.64 1.56 . . . . 10.0 112.853 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -65.79 -47.02 76.54 Favored 'General case' 0 CA--C 1.516 -0.364 0 C-N-CA 121.208 -0.197 . . . . 10.0 111.224 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 43.2 mt -58.96 -46.74 87.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.485 -0.325 . . . . 10.0 110.253 179.442 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -65.15 -42.69 93.52 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.481 -0.327 . . . . 10.0 111.189 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.81 -42.47 94.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.411 -0.358 . . . . 10.0 110.41 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 77.5 mt -66.28 -41.64 89.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.004 178.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 570' ' ' ARG . . . . . 0.437 ' O ' ' HG ' ' D' ' 574' ' ' LEU . 66.0 mtt180 -62.43 -52.71 62.49 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.621 179.204 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -66.86 -23.43 66.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.959 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -82.23 -34.02 24.54 Favored Glycine 0 N--CA 1.444 -0.832 0 N-CA-C 111.054 -0.818 . . . . 10.0 111.054 178.694 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 573' ' ' LEU . . . . . 0.472 ' HA ' ' HB ' ' D' ' 576' ' ' VAL . 20.5 mt -71.77 -25.15 61.91 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 122.072 0.149 . . . . 10.0 111.348 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 574' ' ' LEU . . . . . 0.444 ' HB2' ' HD3' ' D' ' 575' ' ' PRO . 95.4 mt -53.92 -60.47 7.24 Favored Pre-proline 0 CA--C 1.542 0.65 0 O-C-N 123.106 0.254 . . . . 10.0 111.68 179.614 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 575' ' ' PRO . . . . . 0.444 ' HD3' ' HB2' ' D' ' 574' ' ' LEU . 40.9 Cg_endo -69.51 -28.44 26.47 Favored 'Trans proline' 0 C--N 1.357 0.998 0 C-N-CA 121.754 1.636 . . . . 10.0 111.11 178.41 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 576' ' ' VAL . . . . . 0.472 ' HB ' ' HA ' ' D' ' 573' ' ' LEU . 22.4 t -64.08 -50.09 78.56 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.127 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.329 179.238 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 89.3 mt -61.66 -36.06 79.74 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 110.102 -0.333 . . . . 10.0 110.102 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 578' ' ' GLU . . . . . 0.411 ' O ' HG23 ' D' ' 582' ' ' VAL . 54.0 mm-40 -66.01 -47.4 74.58 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 109.553 -0.536 . . . . 10.0 109.553 178.608 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 44.5 m -61.37 -41.1 96.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.791 -0.64 . . . . 10.0 109.98 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -66.04 -35.35 80.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.155 178.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -60.74 -47.42 86.37 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 108.753 -0.832 . . . . 10.0 108.753 178.378 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 582' ' ' VAL . . . . . 0.411 HG23 ' O ' ' D' ' 578' ' ' GLU . 61.6 t -61.48 -44.25 98.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.357 -0.838 . . . . 10.0 110.313 179.235 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 69.9 m -60.03 -50.68 72.75 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.363 -0.38 . . . . 10.0 110.575 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -61.72 -46.15 90.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.985 -0.552 . . . . 10.0 111.613 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 62.7 mt -57.82 -50.68 72.48 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.745 0.307 . . . . 10.0 111.244 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 4.7 m -66.62 -28.55 68.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.001 0.429 . . . . 10.0 111.387 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 587' ' ' ALA . . . . . 0.648 ' HB2' ' HG2' ' A' ' 396' ' ' LYS . . . -75.26 -57.99 3.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.737 179.537 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 84.2 mt -57.38 -41.37 80.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.471 . . . . 10.0 111.952 -179.165 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -59.06 -52.46 65.67 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.193 -0.458 . . . . 10.0 110.889 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -68.67 -35.79 77.7 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.128 0.418 . . . . 10.0 112.128 -179.525 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 9.2 m-30 -60.33 -42.59 95.97 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.86 0.362 . . . . 10.0 110.195 179.123 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 29.4 m -66.09 -31.92 73.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.498 -0.774 . . . . 10.0 110.739 179.619 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -79.3 -32.88 43.62 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.328 -0.396 . . . . 10.0 111.001 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 594' ' ' LYS . . . . . 0.821 ' HE2' ' HB2' ' A' ' 388' ' ' SER . 8.8 mptt -73.19 -43.69 60.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.07 0.462 . . . . 10.0 110.273 179.255 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 82.4 mt -98.17 41.51 1.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.421 0.629 . . . . 10.0 109.821 179.473 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 . . . . . 0 C--N 1.323 -0.578 0 CA-C-N 115.726 -0.67 . . . . 10.0 111.456 -179.131 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 C--O 1.235 0.308 0 CA-C-O 120.932 0.396 . . . . 10.0 111.113 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 2' ' ' THR . . . . . 0.539 ' HB ' ' CE2' ' B' ' 4' ' ' TYR . 0.2 OUTLIER -86.16 128.85 34.96 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.919 -179.681 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -91.45 133.94 35.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.513 -0.312 . . . . 10.0 110.658 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 4' ' ' TYR . . . . . 0.539 ' CE2' ' HB ' ' B' ' 2' ' ' THR . 97.4 m-85 -126.74 111.37 14.17 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.748 -0.464 . . . . 10.0 109.748 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.714 ' HA ' ' HB3' ' B' ' 54' ' ' ASP . 36.9 mttm -78.89 117.63 20.16 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 120.936 0.398 . . . . 10.0 111.119 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.473 HD22 ' HG ' ' B' ' 159' ' ' LEU . 12.6 mt -117.26 123.55 46.86 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.642 -0.708 . . . . 10.0 110.685 -179.093 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 7' ' ' VAL . . . . . 0.567 HG12 HG22 ' B' ' 9' ' ' VAL . 21.3 t -104.07 120.06 53.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 120.915 0.388 . . . . 10.0 111.335 179.638 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.583 HG12 ' HD2' ' B' ' 16' ' ' LYS . 42.7 t -98.24 105.9 17.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.317 -0.623 . . . . 10.0 109.317 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.567 HG22 HG12 ' B' ' 7' ' ' VAL . 0.0 OUTLIER -125.84 169.28 17.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.141 0.496 . . . . 10.0 112.104 -178.488 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 146.65 177.84 21.57 Favored Glycine 0 N--CA 1.444 -0.823 0 CA-C-N 115.057 -0.974 . . . . 10.0 111.03 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.11 159.88 30.08 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.815 0.341 . . . . 10.0 110.931 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.29 139.28 42.39 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.883 0.373 . . . . 10.0 111.376 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 98.34 4.07 57.45 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 121.009 -0.615 . . . . 10.0 113.229 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 34.6 m -85.14 -23.37 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 122.445 -0.444 . . . . 10.0 111.865 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 101.01 48.77 1.42 Allowed Glycine 0 C--O 1.223 -0.58 0 C-N-CA 120.654 -0.784 . . . . 10.0 113.031 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' LYS . . . . . 0.583 ' HD2' HG12 ' B' ' 8' ' ' VAL . 1.9 mtmp? -83.31 -41.39 18.31 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.293 0.568 . . . . 10.0 109.951 179.749 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.57 -39.64 73.78 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.746 -0.661 . . . . 10.0 109.425 179.588 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.95 -53.93 52.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.913 -0.585 . . . . 10.0 109.856 179.229 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 8.6 mt -52.82 -49.66 65.25 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.094 -0.503 . . . . 10.0 111.841 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 6.8 m -62.99 -47.44 83.13 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.056 -0.52 . . . . 10.0 111.438 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 86.0 mt -63.82 -36.34 76.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.386 -0.37 . . . . 10.0 111.592 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' GLN . . . . . 0.57 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 5.8 mm-40 -63.88 -26.64 68.7 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.566 -0.288 . . . . 10.0 111.382 179.668 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 4.4 tp -94.55 -37.43 11.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.867 0.365 . . . . 10.0 111.155 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.47 HD13 ' HD3' ' B' ' 42' ' ' LYS . 47.8 mm -77.85 -51.79 17.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 112.299 0.481 . . . . 10.0 112.299 -179.247 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -97.89 -8.17 28.76 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.056 0.391 . . . . 10.0 112.056 -178.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' ASN . . . . . 0.57 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 55.3 m-80 70.86 10.44 6.99 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 113.785 1.031 . . . . 10.0 113.785 178.577 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -130.03 168.55 16.55 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.578 0.585 . . . . 10.0 112.578 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -103.88 140.24 37.96 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.514 -179.489 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -92.89 123.64 45.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 109.867 -0.42 . . . . 10.0 109.867 179.122 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.05 8.8 27.89 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.091 0.472 . . . . 10.0 111.374 -178.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -128.0 162.57 26.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.35 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -102.36 119.94 39.65 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.861 -0.422 . . . . 10.0 109.861 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -120.52 102.07 45.55 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 116.233 -0.439 . . . . 10.0 110.626 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -55.23 118.1 4.79 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.952 2.434 . . . . 10.0 111.16 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.01 117.93 35.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.568 -0.287 . . . . 10.0 111.41 -178.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 33.9 mm -72.43 -57.0 8.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 108.672 -0.862 . . . . 10.0 108.672 178.567 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -168.12 102.15 0.45 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.462 -0.79 . . . . 10.0 109.791 178.429 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -107.9 171.87 7.16 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.371 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 19.1 m -147.6 131.02 16.66 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.762 0.315 . . . . 10.0 110.474 -179.515 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -134.52 143.2 47.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.347 -0.388 . . . . 10.0 110.241 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.444 ' HD2' ' OD1' ' B' ' 54' ' ' ASP . 0.7 OUTLIER -116.15 126.2 53.35 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.98 0.419 . . . . 10.0 110.914 -179.907 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 42' ' ' LYS . . . . . 0.47 ' HD3' HD13 ' B' ' 24' ' ' ILE . 46.2 tptt -124.62 128.86 49.52 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.068 -0.515 . . . . 10.0 110.035 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -106.61 100.37 9.89 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.888 0.375 . . . . 10.0 110.123 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' VAL . . . . . 0.456 HG23 HG13 ' B' ' 46' ' ' ILE . 3.5 m -124.59 158.3 31.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.158 -0.474 . . . . 10.0 111.007 -179.45 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 3.0 m -94.76 61.37 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.046 0.45 . . . . 10.0 111.917 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' ILE . . . . . 0.456 HG13 HG23 ' B' ' 44' ' ' VAL . 69.3 mt -67.15 125.89 25.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.856 0.36 . . . . 10.0 111.016 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 47' ' ' ASP . . . . . 0.696 ' HA ' ' HB2' ' C' ' 128' ' ' LYS . 64.6 m-20 66.13 16.77 10.57 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.509 -0.769 . . . . 10.0 112.141 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.85 -12.7 68.28 Favored Glycine 0 C--O 1.229 -0.207 0 C-N-CA 120.996 -0.621 . . . . 10.0 113.04 179.208 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -103.11 132.79 49.11 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 122.67 -0.312 . . . . 10.0 110.653 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 1.1 m -69.12 116.45 9.57 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.99 -0.745 . . . . 10.0 108.99 178.681 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' CYS . . . . . 0.427 ' HB3' ' CE2' ' B' ' 4' ' ' TYR . 0.1 OUTLIER -123.88 146.28 48.53 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.201 0.524 . . . . 10.0 112.047 -178.914 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 25.2 tp -103.31 109.12 20.62 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.425 -0.807 . . . . 10.0 108.984 178.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' B' ' 41' ' ' ARG . 17.2 mt -82.39 121.95 27.37 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.926 -0.579 . . . . 10.0 111.392 -178.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 54' ' ' ASP . . . . . 0.714 ' HB3' ' HA ' ' B' ' 5' ' ' LYS . 6.0 t70 -102.07 83.48 2.36 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.86 -1.163 . . . . 10.0 107.86 178.842 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 15.7 mt -85.62 139.41 17.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 112.829 0.678 . . . . 10.0 112.829 -177.46 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 4.6 tp -131.23 118.85 20.99 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 116.024 -0.534 . . . . 10.0 111.048 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -102.75 90.92 3.96 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 120.922 0.391 . . . . 10.0 110.22 178.721 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 58' ' ' THR . . . . . 0.554 HG21 ' CE1' ' B' ' 71' ' ' TYR . 0.2 OUTLIER -87.01 164.25 16.59 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.965 -0.561 . . . . 10.0 111.121 179.819 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.51 137.85 42.75 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.189 0.518 . . . . 10.0 111.848 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -111.57 48.69 0.91 Allowed Glycine 0 N--CA 1.447 -0.575 0 N-CA-C 110.77 -0.932 . . . . 10.0 110.77 179.14 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -107.29 15.29 25.18 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.749 0.309 . . . . 10.0 111.434 -179.124 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 63.48 -173.6 0.16 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.593 -0.73 . . . . 10.0 111.937 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 68.18 3.66 3.76 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 116.044 -0.526 . . . . 10.0 112.189 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -100.6 39.57 1.36 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.418 -0.355 . . . . 10.0 110.562 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 1.5 m -61.29 -34.34 75.05 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.584 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.44 -35.55 30.47 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.993 0.425 . . . . 10.0 110.945 179.668 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 67' ' ' MET . . . . . 0.599 ' HG2' ' HE1' ' B' ' 71' ' ' TYR . 28.2 ttt -74.0 -40.16 63.13 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.277 -0.419 . . . . 10.0 111.983 -179.124 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 68' ' ' ARG . . . . . 0.637 ' HA ' ' CZ ' ' B' ' 71' ' ' TYR . 1.9 ttp180 -54.67 -40.68 69.34 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.277 0.473 . . . . 10.0 112.277 -179.254 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.21 -25.24 65.46 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.131 -0.486 . . . . 10.0 112.259 -178.611 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -69.33 -64.71 0.82 Allowed 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.202 -0.454 . . . . 10.0 111.638 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 71' ' ' TYR . . . . . 0.637 ' CZ ' ' HA ' ' B' ' 68' ' ' ARG . 13.4 p90 -70.98 -21.3 62.33 Favored 'General case' 0 CA--C 1.529 0.157 0 N-CA-C 112.968 0.729 . . . . 10.0 112.968 -178.437 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 72' ' ' MET . . . . . 0.489 ' SD ' ' HG2' ' B' ' 99' ' ' GLN . 30.6 mtt -67.95 -25.61 65.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.25 0.548 . . . . 10.0 111.289 179.254 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -85.94 -36.64 19.73 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.663 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 1.4 m -78.67 -41.25 31.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 10.0 111.955 -179.301 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -66.0 137.81 36.47 Favored Glycine 0 C--O 1.236 0.265 0 C-N-CA 120.924 -0.655 . . . . 10.0 113.156 -178.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -96.73 -47.37 5.91 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.811 0.339 . . . . 10.0 110.212 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -106.16 129.5 9.78 Favored Glycine 0 N--CA 1.445 -0.719 0 N-CA-C 111.146 -0.781 . . . . 10.0 111.146 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 78' ' ' PHE . . . . . 0.554 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 84.5 m-85 -111.04 126.26 54.61 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.141 0.496 . . . . 10.0 111.587 -179.062 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.817 HD13 HD22 ' B' ' 159' ' ' LEU . 12.1 tp -98.74 114.07 26.43 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.68 -0.691 . . . . 10.0 110.184 179.657 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 80' ' ' CYS . . . . . 0.511 ' HB3' HD12 ' B' ' 93' ' ' ILE . 1.9 m -88.85 90.79 8.56 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.728 -0.669 . . . . 10.0 109.572 179.777 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 4.1 t -91.42 132.63 35.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.573 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 82' ' ' PHE . . . . . 0.493 ' HB3' HD11 ' B' ' 93' ' ' ILE . 21.1 p90 -146.29 157.0 43.76 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 116.141 -0.482 . . . . 10.0 110.403 178.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.551 ' HB3' ' HB3' ' B' ' 86' ' ' ASN . . . -96.0 132.38 41.4 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 109.433 -0.58 . . . . 10.0 109.433 179.105 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 17.4 pt -72.65 1.78 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.047 0.451 . . . . 10.0 111.635 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 33.9 p-10 -125.78 17.99 7.99 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.219 179.149 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.551 ' HB3' ' HB3' ' B' ' 83' ' ' ALA . 39.0 t-20 -137.53 112.26 8.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.932 -0.576 . . . . 10.0 109.713 179.519 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.11 -37.98 87.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.945 -0.571 . . . . 10.0 112.525 -179.005 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -56.29 -45.51 80.18 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.641 -0.254 . . . . 10.0 110.725 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 1.4 m -65.67 -36.97 85.17 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.88 0.326 . . . . 10.0 111.88 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 90' ' ' PHE . . . . . 0.464 ' CZ ' HD22 ' B' ' 133' ' ' LEU . 83.8 t80 -67.46 -45.16 76.76 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.788 0.328 . . . . 10.0 111.451 -179.523 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -75.61 -28.09 58.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.215 -0.448 . . . . 10.0 111.598 -179.265 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.12 -23.02 67.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.667 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 93' ' ' ILE . . . . . 0.511 HD12 ' HB3' ' B' ' 80' ' ' CYS . 45.4 mm -57.65 -42.05 80.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.092 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 58.2 t60 -63.86 -47.59 80.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.725 -0.671 . . . . 10.0 110.549 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -60.83 -43.22 98.55 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.123 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 96' ' ' TYR . . . . . 0.492 ' O ' HG13 ' B' ' 100' ' ' ILE . 7.7 m-85 -64.87 -47.34 78.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.848 -0.615 . . . . 10.0 110.08 178.681 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -55.76 -45.1 78.16 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.817 -0.629 . . . . 10.0 111.799 -179.165 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -64.56 -35.75 81.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.493 -0.321 . . . . 10.0 111.765 -179.448 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 99' ' ' GLN . . . . . 0.489 ' HG2' ' SD ' ' B' ' 72' ' ' MET . 60.4 tt0 -71.21 -42.4 69.0 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.939 -0.304 . . . . 10.0 111.304 179.603 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 100' ' ' ILE . . . . . 0.492 HG13 ' O ' ' B' ' 96' ' ' TYR . 61.5 mt -56.76 -48.91 80.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-O 120.899 0.381 . . . . 10.0 110.731 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 101' ' ' LYS . . . . . 0.493 ' HE3' ' HB2' ' B' ' 101' ' ' LYS . 34.3 mtmt -64.47 -27.09 68.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.924 -0.58 . . . . 10.0 111.251 -179.594 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 -77.45 -39.47 46.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.666 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 103' ' ' VAL . . . . . 0.437 HG23 ' O ' ' B' ' 99' ' ' GLN . 79.3 t -72.86 -45.6 55.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.952 -0.567 . . . . 10.0 111.437 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -84.82 -10.77 56.84 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 111.697 0.258 . . . . 10.0 111.697 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 17.6 t70 53.4 59.42 4.39 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 121.422 0.63 . . . . 10.0 112.228 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 18.1 t -164.67 146.6 8.3 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.487 -0.779 . . . . 10.0 109.956 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -85.96 -19.78 29.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.098 0.475 . . . . 10.0 110.011 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -95.09 106.85 18.88 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.813 -0.631 . . . . 10.0 110.714 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 109' ' ' VAL . . . . . 0.479 HG11 HG21 ' B' ' 100' ' ' ILE . 52.1 t -136.27 127.82 17.04 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.24 -179.55 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 110' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 17.4 Cg_exo -68.45 101.65 0.76 Allowed 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.841 2.361 . . . . 10.0 110.798 179.101 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 111' ' ' MET . . . . . 0.554 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 55.0 mtm -128.21 152.94 47.47 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.685 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 112' ' ' VAL . . . . . 0.407 HG22 ' HG2' ' B' ' 140' ' ' PRO . 39.0 t -136.62 126.31 38.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.108 -0.496 . . . . 10.0 109.77 179.309 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 113' ' ' LEU . . . . . 0.48 HD12 ' HB2' ' B' ' 80' ' ' CYS . 15.8 tp -85.81 119.46 26.16 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 110.033 -0.358 . . . . 10.0 110.033 -179.691 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 84.9 t -115.34 116.13 51.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 112.406 0.521 . . . . 10.0 112.406 -178.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -102.62 104.59 2.61 Favored Glycine 0 N--CA 1.447 -0.601 0 N-CA-C 110.253 -1.139 . . . . 10.0 110.253 178.359 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -92.94 167.23 11.95 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.379 0.133 . . . . 10.0 110.971 -178.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 117' ' ' LYS . . . . . 0.515 ' HB3' HD12 ' B' ' 120' ' ' LEU . 82.5 mttt 65.91 33.96 7.53 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 123.166 0.586 . . . . 10.0 112.224 179.391 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 86.5 m -71.78 -9.63 58.58 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 112.307 0.484 . . . . 10.0 112.307 -179.423 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -91.2 4.04 53.27 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.012 0.434 . . . . 10.0 110.613 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 120' ' ' LEU . . . . . 0.515 HD12 ' HB3' ' B' ' 117' ' ' LYS . 31.4 mt -91.49 136.97 26.15 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.11 -0.495 . . . . 10.0 110.232 179.191 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -77.24 158.11 33.47 Favored 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 122.488 2.126 . . . . 10.0 111.416 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 1.1 m 62.67 69.73 0.59 Allowed 'General case' 0 C--O 1.232 0.177 0 CA-C-O 121.475 0.655 . . . . 10.0 111.288 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -88.06 150.52 23.34 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.709 -0.678 . . . . 10.0 111.168 -179.245 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 25.3 m -81.97 -61.41 1.92 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.672 179.334 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 125' ' ' VAL . . . . . 0.75 HG13 ' HG3' ' B' ' 129' ' ' GLN . 32.3 t -92.9 123.45 45.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.075 0.464 . . . . 10.0 110.656 179.541 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.4 153.16 33.94 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.627 -0.715 . . . . 10.0 109.405 179.129 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 2.3 m -54.35 -41.38 69.03 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.183 0.438 . . . . 10.0 112.183 -179.083 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 128' ' ' LYS . . . . . 0.631 ' HB2' ' HA ' ' C' ' 47' ' ' ASP . 12.4 pttt -55.5 -52.47 63.55 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.477 0.547 . . . . 10.0 112.477 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 129' ' ' GLN . . . . . 0.75 ' HG3' HG13 ' B' ' 125' ' ' VAL . 4.2 pt20 -70.74 -27.7 64.15 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.994 -0.282 . . . . 10.0 111.67 -179.532 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.89 -44.45 76.97 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 121.488 0.661 . . . . 10.0 109.596 179.06 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -70.9 -29.35 65.4 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.285 -0.87 . . . . 10.0 109.624 178.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -66.56 -33.84 76.57 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.341 -0.845 . . . . 10.0 109.827 178.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 133' ' ' LEU . . . . . 0.464 HD22 ' CZ ' ' B' ' 90' ' ' PHE . 12.4 tp -78.02 -36.94 48.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.605 -0.725 . . . . 10.0 110.6 179.446 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.96 -27.91 69.72 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 121.171 0.51 . . . . 10.0 111.108 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 135' ' ' ARG . . . . . 0.617 HH21 ' HG2' ' C' ' 161' ' ' ARG . 36.7 ttm180 -66.06 -40.44 90.92 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.658 -0.701 . . . . 10.0 111.029 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.65 -30.79 71.81 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.071 -0.513 . . . . 10.0 111.316 -179.698 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 137' ' ' TYR . . . . . 0.441 ' HB2' HG12 ' B' ' 139' ' ' ILE . 21.1 m-85 -86.39 -30.87 21.81 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.432 179.673 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 85.07 33.79 16.81 Favored Glycine 0 N--CA 1.445 -0.711 0 N-CA-C 110.238 -1.145 . . . . 10.0 110.238 -178.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 139' ' ' ILE . . . . . 0.48 HG21 ' HB2' ' B' ' 111' ' ' MET . 37.5 pt -121.14 157.4 55.59 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 115.268 -0.466 . . . . 10.0 110.758 -178.77 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 140' ' ' PRO . . . . . 0.407 ' HG2' HG22 ' B' ' 112' ' ' VAL . 92.7 Cg_endo -82.89 141.49 10.71 Favored 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 122.819 2.346 . . . . 10.0 112.579 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -125.01 137.62 54.24 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.46 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 46.7 mt -143.11 132.49 21.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.507 -0.553 . . . . 10.0 109.507 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -73.69 134.36 43.55 Favored 'General case' 0 CA--C 1.522 -0.132 0 N-CA-C 108.709 -0.848 . . . . 10.0 108.709 178.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 144' ' ' THR . . . . . 0.712 HG22 ' HA3' ' B' ' 151' ' ' GLY . 34.5 p -136.66 165.79 25.07 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 113.787 1.032 . . . . 10.0 113.787 -177.487 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 30.2 t -156.01 101.19 2.08 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 107.45 -1.315 . . . . 10.0 107.45 178.682 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -65.37 -36.98 85.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.503 -0.317 . . . . 10.0 111.388 -178.43 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -56.67 -42.47 79.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.002 0.43 . . . . 10.0 110.273 178.409 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 1.6 m -88.24 -7.16 57.22 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.239 0.543 . . . . 10.0 110.3 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 2.9 ttt-85 59.21 42.8 17.99 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.489 -0.778 . . . . 10.0 111.575 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -122.21 113.22 19.16 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.066 -0.516 . . . . 10.0 111.334 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 151' ' ' GLY . . . . . 0.712 ' HA3' HG22 ' B' ' 144' ' ' THR . . . 110.14 -15.43 30.64 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 121.009 -0.615 . . . . 10.0 112.756 179.312 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 152' ' ' VAL . . . . . 0.424 HG23 ' H ' ' B' ' 152' ' ' VAL . 3.0 t -54.0 -52.94 31.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-O 120.932 0.396 . . . . 10.0 111.93 -179.196 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -62.23 -49.22 76.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.943 -0.571 . . . . 10.0 111.571 -179.018 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -54.7 -47.62 73.47 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.993 -0.548 . . . . 10.0 112.313 -178.608 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.23 -46.95 88.3 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.251 -0.432 . . . . 10.0 111.551 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -62.76 -43.58 98.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.478 -0.328 . . . . 10.0 111.88 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 17.1 m-30 -62.21 -48.11 81.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.207 -0.451 . . . . 10.0 110.981 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 11.4 m -63.37 -37.89 89.04 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.945 -0.571 . . . . 10.0 112.448 -179.198 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 159' ' ' LEU . . . . . 0.817 HD22 HD13 ' B' ' 79' ' ' LEU . 44.7 tp -57.87 -48.94 78.37 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.877 0.37 . . . . 10.0 111.089 179.643 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 96.6 t -69.44 -38.24 76.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.147 0.498 . . . . 10.0 110.554 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 161' ' ' ARG . . . . . 0.498 ' CZ ' ' HB3' ' C' ' 131' ' ' GLN . 16.4 ttp180 -63.83 -36.89 85.38 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.755 -0.657 . . . . 10.0 111.179 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -64.85 -33.66 76.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.849 0.356 . . . . 10.0 110.632 179.117 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 72.8 mt -66.63 -43.45 90.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 108.46 -0.941 . . . . 10.0 108.46 178.443 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 77.9 mtt180 -62.48 -43.25 99.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.364 -0.834 . . . . 10.0 109.592 179.1 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 165' ' ' LYS . . . . . 0.638 ' HB2' ' HD3' ' C' ' 135' ' ' ARG . 13.1 ttmt . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 115.826 -0.624 . . . . 10.0 109.845 178.731 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.934 0.397 . . . . 10.0 110.792 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -80.32 123.11 27.71 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.213 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -98.96 132.73 44.06 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.691 0.281 . . . . 10.0 110.647 -179.462 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -122.72 115.19 21.65 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.332 -0.395 . . . . 10.0 110.283 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 5' ' ' LYS . . . . . 0.428 ' HB2' ' HG3' ' C' ' 76' ' ' GLU . 59.9 mttm -90.05 100.34 13.18 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.108 0.48 . . . . 10.0 110.445 -179.683 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 6' ' ' LEU . . . . . 0.62 HD13 HD23 ' C' ' 159' ' ' LEU . 17.4 mt -103.47 136.65 42.82 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.55 -0.75 . . . . 10.0 111.144 -178.537 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 14.3 t -116.93 129.23 73.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.235 -0.438 . . . . 10.0 109.887 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.467 HG12 ' HD2' ' C' ' 16' ' ' LYS . 14.2 t -92.67 102.37 13.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.398 -0.593 . . . . 10.0 109.398 179.547 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 17.6 m -104.71 153.52 6.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.614 -178.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 153.7 -170.34 32.42 Favored Glycine 0 N--CA 1.445 -0.704 0 N-CA-C 111.389 -0.684 . . . . 10.0 111.389 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.91 -178.34 6.95 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.799 0.333 . . . . 10.0 110.483 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.37 141.28 33.44 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.272 0.558 . . . . 10.0 111.044 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 13' ' ' GLY . . . . . 0.516 ' HA2' ' HE1' ' C' ' 32' ' ' TYR . . . 88.52 5.34 75.32 Favored Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.704 -0.68 . . . . 10.0 112.375 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 14' ' ' VAL . . . . . 0.426 ' CG2' ' HG3' ' C' ' 16' ' ' LYS . 35.4 m -84.67 -21.46 8.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.696 0.284 . . . . 10.0 111.102 -179.357 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.05 27.69 5.55 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.528 -0.844 . . . . 10.0 113.773 178.605 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 16' ' ' LYS . . . . . 0.467 ' HD2' HG12 ' C' ' 8' ' ' VAL . 9.8 mtmt -65.35 -34.69 78.92 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.34 0.59 . . . . 10.0 110.462 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 2.1 m -74.77 -47.03 33.21 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.489 -0.778 . . . . 10.0 109.436 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.36 -46.58 69.62 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.866 -0.606 . . . . 10.0 111.156 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 74.2 mt -59.69 -46.77 88.06 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.262 -0.427 . . . . 10.0 111.386 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 16.9 m -66.44 -40.97 89.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.086 -0.507 . . . . 10.0 111.242 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.14 -35.23 70.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.884 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -68.86 -16.39 63.75 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.837 0.351 . . . . 10.0 111.279 179.272 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 12.8 tp -92.7 -36.34 12.99 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.147 0.498 . . . . 10.0 110.297 179.355 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 36.3 mm -90.29 -71.71 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.285 -0.416 . . . . 10.0 111.527 -179.437 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -72.65 -28.23 62.6 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.529 -0.305 . . . . 10.0 111.268 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 70.09 34.38 2.45 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.617 -0.72 . . . . 10.0 112.227 178.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -137.81 149.1 46.08 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.429 -0.351 . . . . 10.0 111.252 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -89.48 124.39 34.45 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.241 -0.436 . . . . 10.0 110.35 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 17.3 m -83.1 166.05 2.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.246 -0.434 . . . . 10.0 110.915 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -122.25 -46.6 2.17 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.133 -0.485 . . . . 10.0 111.109 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -85.63 139.93 31.0 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.916 -0.584 . . . . 10.0 111.363 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 32' ' ' TYR . . . . . 0.516 ' HE1' ' HA2' ' C' ' 13' ' ' GLY . 35.1 t80 -72.03 129.51 38.7 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.66 -0.7 . . . . 10.0 111.106 -179.293 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -127.07 101.59 25.53 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.16 -0.473 . . . . 10.0 109.76 179.162 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_exo -53.85 122.52 11.52 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 123.17 2.58 . . . . 10.0 112.779 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 3.5 m -96.18 109.68 22.09 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.101 -0.5 . . . . 10.0 110.512 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 46.1 mm -81.19 -50.81 16.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.068 0.461 . . . . 10.0 109.784 179.269 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -172.66 94.95 0.13 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.119 -0.697 . . . . 10.0 109.119 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.43 139.19 52.49 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.679 0.276 . . . . 10.0 111.022 -179.313 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.44 139.94 50.63 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.209 -0.45 . . . . 10.0 111.161 -179.255 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -129.67 141.36 50.93 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.431 -0.581 . . . . 10.0 109.431 -179.631 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 41' ' ' ARG . . . . . 0.464 ' HA ' ' O ' ' C' ' 53' ' ' LEU . 1.2 mpp_? -120.41 145.78 46.85 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 121.237 -0.185 . . . . 10.0 111.237 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 38.0 tttp -157.73 138.12 12.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.625 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -98.9 123.57 43.25 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.294 -0.632 . . . . 10.0 109.294 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 4.6 m -127.65 -177.29 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 120.937 0.399 . . . . 10.0 111.845 -179.053 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 10.6 t -115.32 88.8 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.933 -0.576 . . . . 10.0 109.842 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 46' ' ' ILE . . . . . 0.525 HG13 HG11 ' C' ' 160' ' ' VAL . 24.9 mm -85.31 106.86 15.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.41 -0.359 . . . . 10.0 111.498 -178.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 47' ' ' ASP . . . . . 0.631 ' HA ' ' HB2' ' B' ' 128' ' ' LYS . 16.6 m-20 63.78 17.43 10.48 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 115.621 -0.718 . . . . 10.0 111.972 179.16 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.69 -13.54 38.69 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.36 -0.924 . . . . 10.0 112.734 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 49' ' ' GLU . . . . . 0.54 ' HB3' HH22 ' C' ' 164' ' ' ARG . 15.4 tt0 -98.04 145.38 26.58 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.916 0.388 . . . . 10.0 111.324 -179.763 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 5.5 m -74.37 123.73 25.17 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.805 -0.634 . . . . 10.0 109.594 178.47 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 10.9 m -138.54 144.07 39.75 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.116 0.484 . . . . 10.0 111.876 -179.402 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 46.4 tp -107.47 127.82 53.95 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.659 -0.701 . . . . 10.0 109.297 178.709 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 53' ' ' LEU . . . . . 0.464 ' O ' ' HA ' ' C' ' 41' ' ' ARG . 47.3 mt -102.22 119.83 39.46 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 112.642 0.608 . . . . 10.0 112.642 -178.803 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -102.51 88.77 3.34 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 107.248 -1.389 . . . . 10.0 107.248 177.731 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 55' ' ' ILE . . . . . 0.555 ' HA ' ' O ' ' C' ' 6' ' ' LEU . 54.6 mt -99.32 134.3 38.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.904 -0.589 . . . . 10.0 112.326 -177.519 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 6.8 tt -129.49 124.49 34.1 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.607 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -98.17 131.88 44.16 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.988 -0.375 . . . . 10.0 109.988 179.184 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 58' ' ' THR . . . . . 0.478 HG21 ' CE1' ' C' ' 71' ' ' TYR . 0.0 OUTLIER -112.65 172.56 6.85 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.418 -0.355 . . . . 10.0 110.873 179.668 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 59' ' ' ALA . . . . . 0.405 ' HB3' ' CE2' ' C' ' 64' ' ' TYR . . . -85.82 141.23 29.79 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.949 0.404 . . . . 10.0 110.979 -179.693 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -111.63 37.01 3.88 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.841 -0.695 . . . . 10.0 111.55 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -100.52 16.31 25.09 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.844 0.354 . . . . 10.0 111.21 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 62' ' ' GLU . . . . . 0.445 ' OE1' ' HA ' ' C' ' 62' ' ' GLU . 0.6 OUTLIER 63.1 -175.17 0.15 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.578 -0.737 . . . . 10.0 111.77 -179.458 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 70.98 23.79 4.17 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.39 0.614 . . . . 10.0 110.349 -179.369 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 64' ' ' TYR . . . . . 0.405 ' CE2' ' HB3' ' C' ' 59' ' ' ALA . 66.0 m-85 -124.33 26.97 7.19 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.464 -0.789 . . . . 10.0 110.508 -179.729 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.89 -27.58 66.83 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.776 -179.503 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -82.28 -49.98 9.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.903 0.382 . . . . 10.0 111.61 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 22.8 ttp -72.64 -9.24 58.37 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.985 -0.552 . . . . 10.0 112.267 -178.638 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -49.97 75.89 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.054 -0.521 . . . . 10.0 111.083 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.74 -34.72 67.81 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.787 -0.642 . . . . 10.0 112.141 -179.278 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -52.39 -56.2 16.58 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 112.739 0.644 . . . . 10.0 112.739 -179.167 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 71' ' ' TYR . . . . . 0.478 ' CE1' HG21 ' C' ' 58' ' ' THR . 42.5 p90 -86.82 -16.64 35.57 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.675 0.62 . . . . 10.0 112.675 -178.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 72' ' ' MET . . . . . 0.438 ' HA ' ' CZ ' ' C' ' 78' ' ' PHE . 39.8 mtt -77.69 -37.74 48.99 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.997 0.427 . . . . 10.0 111.515 179.636 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 73' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' C' ' 73' ' ' ARG . 39.4 ttm105 -71.86 -29.29 64.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.311 -0.404 . . . . 10.0 110.809 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -98.3 8.18 45.19 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.536 -179.286 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -95.3 131.07 10.54 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.522 -0.847 . . . . 10.0 112.499 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 76' ' ' GLU . . . . . 0.428 ' HG3' ' HB2' ' C' ' 5' ' ' LYS . 32.2 mt-10 -95.57 -36.86 11.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.174 0.511 . . . . 10.0 110.476 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -133.11 129.93 5.59 Favored Glycine 0 N--CA 1.45 -0.384 0 N-CA-C 110.592 -1.003 . . . . 10.0 110.592 179.495 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 78' ' ' PHE . . . . . 0.743 ' HB2' ' HG2' ' C' ' 111' ' ' MET . 95.8 m-85 -112.9 120.68 42.24 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 112.49 0.552 . . . . 10.0 112.49 -178.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 79' ' ' LEU . . . . . 0.477 ' HB2' HD22 ' C' ' 159' ' ' LEU . 25.0 tp -96.87 110.28 22.81 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.769 -0.65 . . . . 10.0 109.44 179.143 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 80' ' ' CYS . . . . . 0.736 ' HB3' HD12 ' C' ' 93' ' ' ILE . 28.7 m -88.03 103.82 16.07 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.707 -0.479 . . . . 10.0 109.707 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 81' ' ' VAL . . . . . 0.423 ' HB ' ' HG2' ' C' ' 16' ' ' LYS . 64.5 t -104.46 127.35 58.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.882 -0.599 . . . . 10.0 111.325 -179.043 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 27.5 p90 -132.65 165.83 23.56 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.964 -0.562 . . . . 10.0 109.516 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 83' ' ' ALA . . . . . 0.591 ' HB3' ' HB3' ' C' ' 86' ' ' ASN . . . -103.65 128.76 50.92 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 110.04 -0.356 . . . . 10.0 110.04 179.623 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 84' ' ' ILE . . . . . 0.72 HD12 ' HB3' ' C' ' 123' ' ' ARG . 2.3 pt -65.59 -20.02 26.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.052 0.453 . . . . 10.0 111.275 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 21.2 p-10 -98.36 12.28 35.39 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.921 -0.581 . . . . 10.0 111.022 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 86' ' ' ASN . . . . . 0.591 ' HB3' ' HB3' ' C' ' 83' ' ' ALA . 27.1 t-20 -143.88 97.07 3.0 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.826 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.42 -28.23 68.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.872 -0.604 . . . . 10.0 112.253 -179.389 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 88' ' ' LYS . . . . . 0.418 ' HB3' ' OD1' ' C' ' 86' ' ' ASN . 26.9 tptp -52.42 -52.09 55.71 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.251 -0.431 . . . . 10.0 111.103 179.602 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 35.7 p -63.46 -34.09 76.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.159 -0.473 . . . . 10.0 111.896 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -62.99 -41.64 99.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.774 0.321 . . . . 10.0 110.707 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -74.75 -34.15 62.46 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.736 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.35 -28.09 66.52 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.622 -0.717 . . . . 10.0 111.403 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 93' ' ' ILE . . . . . 0.736 HD12 ' HB3' ' C' ' 80' ' ' CYS . 47.5 mm -54.94 -44.79 74.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.957 -0.565 . . . . 10.0 111.462 179.773 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -59.47 -44.6 92.97 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.122 0.487 . . . . 10.0 110.592 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 84.7 m-70 -60.54 -38.96 86.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.745 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -74.7 -40.27 61.45 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.014 -0.539 . . . . 10.0 111.123 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 97' ' ' ARG . . . . . 0.587 ' HD3' ' OE1' ' C' ' 98' ' ' GLU . 9.7 ttt180 -58.22 -49.4 77.19 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.874 0.369 . . . . 10.0 110.731 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 98' ' ' GLU . . . . . 0.587 ' OE1' ' HD3' ' C' ' 97' ' ' ARG . 35.7 mm-40 -65.71 -33.56 76.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.56 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 99' ' ' GLN . . . . . 0.463 ' O ' HG23 ' C' ' 103' ' ' VAL . 3.9 mt-30 -66.04 -48.89 69.58 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.903 -0.589 . . . . 10.0 110.499 179.105 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 73.8 mt -55.59 -46.47 79.16 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.74 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 101' ' ' LYS . . . . . 0.462 ' HE3' ' HA ' ' C' ' 98' ' ' GLU . 14.5 mtmt -67.06 -27.14 67.14 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.893 -0.594 . . . . 10.0 111.307 -179.614 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 9.0 tmm_? -76.62 -36.37 57.48 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.961 0.41 . . . . 10.0 110.286 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 103' ' ' VAL . . . . . 0.463 HG23 ' O ' ' C' ' 99' ' ' GLN . 60.7 t -74.35 -44.06 48.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 10.0 111.04 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 30.5 mtpp -86.15 -10.2 55.23 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 111.964 0.357 . . . . 10.0 111.964 -178.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 3.7 t70 54.47 52.27 12.67 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.618 0.723 . . . . 10.0 111.499 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 57.2 m -158.15 138.55 12.65 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.58 -0.736 . . . . 10.0 109.619 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 36.8 tp10 -80.8 -32.12 35.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.174 0.511 . . . . 10.0 110.572 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.33 98.09 11.5 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.991 -0.549 . . . . 10.0 111.093 -179.754 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 109' ' ' VAL . . . . . 0.403 ' HA ' ' HD3' ' C' ' 110' ' ' PRO . 56.3 t -128.39 129.94 23.57 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 116.07 -0.514 . . . . 10.0 110.126 179.643 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 110' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' C' ' 109' ' ' VAL . 31.4 Cg_exo -60.31 111.17 0.93 Allowed 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.721 2.281 . . . . 10.0 111.124 179.126 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 111' ' ' MET . . . . . 0.743 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 63.8 mtm -143.39 153.68 42.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.426 -179.622 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 112' ' ' VAL . . . . . 0.424 HG12 HG23 ' C' ' 114' ' ' VAL . 74.7 t -136.69 135.97 48.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 109.334 -0.617 . . . . 10.0 109.334 179.296 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 113' ' ' LEU . . . . . 0.421 ' O ' ' HA ' ' C' ' 141' ' ' PHE . 22.2 tp -97.09 116.05 28.59 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 109.432 -0.581 . . . . 10.0 109.432 179.589 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 114' ' ' VAL . . . . . 0.424 HG23 HG12 ' C' ' 112' ' ' VAL . 41.2 t -123.27 127.46 74.43 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-O 120.967 0.413 . . . . 10.0 111.36 -178.669 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -96.94 131.8 10.75 Favored Glycine 0 N--CA 1.442 -0.932 0 N-CA-C 110.229 -1.148 . . . . 10.0 110.229 178.682 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -108.31 162.3 14.22 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.943 0.371 . . . . 10.0 110.889 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 90.8 mttt 62.75 27.53 16.13 Favored 'General case' 0 N--CA 1.46 0.071 0 O-C-N 123.737 0.648 . . . . 10.0 111.569 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 118' ' ' CYS . . . . . . . . . . . . . 71.2 m -65.16 -9.3 21.97 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 113.318 0.859 . . . . 10.0 113.318 -179.085 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -95.02 2.61 55.33 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.737 0.304 . . . . 10.0 111.38 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 30.1 mt -84.67 136.06 39.83 Favored Pre-proline 0 C--N 1.327 -0.388 0 C-N-CA 121.006 -0.278 . . . . 10.0 110.634 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -67.01 144.13 68.66 Favored 'Trans proline' 0 C--O 1.235 0.342 0 C-N-CA 123.068 2.512 . . . . 10.0 112.381 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 7.1 m 66.42 88.2 0.11 Allowed 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.646 -0.706 . . . . 10.0 111.97 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 123' ' ' ARG . . . . . 0.72 ' HB3' HD12 ' C' ' 84' ' ' ILE . 8.2 ptp180 -97.67 143.86 27.9 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.969 -0.559 . . . . 10.0 111.182 179.632 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.71 -37.24 13.84 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.178 0.513 . . . . 10.0 110.172 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 59.2 t -89.89 126.19 42.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.569 -0.741 . . . . 10.0 109.53 179.101 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -80.45 143.3 33.51 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.371 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.23 -50.65 72.82 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.321 -0.399 . . . . 10.0 110.918 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 128' ' ' LYS . . . . . 0.696 ' HB2' ' HA ' ' B' ' 47' ' ' ASP . 0.0 OUTLIER -57.19 -40.24 77.0 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 113.072 0.767 . . . . 10.0 113.072 -179.381 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -68.7 -38.68 80.45 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 120.495 -0.482 . . . . 10.0 111.186 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -70.89 -36.9 72.94 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 121.024 0.44 . . . . 10.0 110.014 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 131' ' ' GLN . . . . . 0.498 ' HB3' ' CZ ' ' B' ' 161' ' ' ARG . 96.7 mt-30 -65.25 -46.28 81.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.718 -0.674 . . . . 10.0 110.597 179.404 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -65.54 -37.54 87.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 10.0 111.04 179.637 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 22.6 tp -60.45 -49.04 79.14 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.209 -0.45 . . . . 10.0 109.926 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.04 -38.92 93.1 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.009 179.473 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 135' ' ' ARG . . . . . 0.638 ' HD3' ' HB2' ' B' ' 165' ' ' LYS . 5.3 tmm_? -63.26 -42.55 99.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.595 -0.729 . . . . 10.0 110.134 179.266 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 7.4 t -61.28 -35.3 76.94 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.056 -0.52 . . . . 10.0 111.585 -179.201 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -86.67 -33.07 20.19 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.265 0.469 . . . . 10.0 112.265 -179.451 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 102.99 29.25 5.86 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.819 -0.705 . . . . 10.0 112.549 179.573 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 36.0 pt -120.09 148.46 46.99 Favored Pre-proline 0 C--N 1.32 -0.708 0 N-CA-C 110.084 -0.339 . . . . 10.0 110.084 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -70.82 141.58 41.23 Favored 'Trans proline' 0 C--O 1.234 0.302 0 C-N-CA 122.894 2.396 . . . . 10.0 111.595 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 141' ' ' PHE . . . . . 0.421 ' HA ' ' O ' ' C' ' 113' ' ' LEU . 69.4 t80 -116.92 127.41 54.21 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.369 -0.378 . . . . 10.0 110.336 179.616 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 142' ' ' ILE . . . . . 0.448 ' CD1' ' HA ' ' C' ' 155' ' ' ALA . 47.5 mt -129.63 133.82 64.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 116.278 -0.419 . . . . 10.0 111.396 -179.463 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.22 124.21 41.23 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 108.646 -0.872 . . . . 10.0 108.646 178.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 144' ' ' THR . . . . . 0.409 HG22 ' HA3' ' C' ' 151' ' ' GLY . 14.8 p -143.39 -177.39 5.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.707 0.765 . . . . 10.0 112.945 -178.183 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 145' ' ' SER . . . . . 0.426 ' HB3' ' OG1' ' C' ' 148' ' ' THR . 26.0 t -150.96 125.74 9.7 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.022 -1.103 . . . . 10.0 108.022 178.658 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -71.99 -20.89 61.65 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.15 0.5 . . . . 10.0 110.381 -179.57 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 5.6 ttpm? -73.83 -46.98 41.76 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.718 -0.674 . . . . 10.0 110.861 179.454 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 148' ' ' THR . . . . . 0.426 ' OG1' ' HB3' ' C' ' 145' ' ' SER . 7.9 p -81.8 -23.93 36.25 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.912 -0.315 . . . . 10.0 110.7 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 149' ' ' ARG . . . . . 0.44 ' O ' ' HG3' ' C' ' 149' ' ' ARG . 0.5 OUTLIER 69.32 7.32 6.17 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 123.648 0.779 . . . . 10.0 112.48 -179.903 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -80.46 126.41 31.17 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.966 -0.561 . . . . 10.0 111.002 -179.441 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 151' ' ' GLY . . . . . 0.409 ' HA3' HG22 ' C' ' 144' ' ' THR . . . 90.09 -15.23 60.06 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 121.081 -0.581 . . . . 10.0 112.853 179.441 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 92.4 t -57.11 -43.44 81.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-O 121.148 0.499 . . . . 10.0 111.402 -179.366 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -65.46 -45.42 83.82 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.296 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -63.62 -36.39 83.66 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.073 -0.512 . . . . 10.0 111.605 -179.545 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 155' ' ' ALA . . . . . 0.448 ' HA ' ' CD1' ' C' ' 142' ' ' ILE . . . -59.15 -53.37 59.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.308 179.519 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -64.91 -37.41 87.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.13 -0.487 . . . . 10.0 110.765 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -60.21 -45.71 92.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.027 0.442 . . . . 10.0 110.653 179.116 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 158' ' ' THR . . . . . 0.401 ' HA ' ' HE ' ' C' ' 161' ' ' ARG . 30.3 m -62.87 -37.77 88.22 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.543 179.495 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 159' ' ' LEU . . . . . 0.62 HD23 HD13 ' C' ' 6' ' ' LEU . 23.3 tp -59.4 -39.44 83.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.073 0.463 . . . . 10.0 110.015 179.14 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 160' ' ' VAL . . . . . 0.525 HG11 HG13 ' C' ' 46' ' ' ILE . 98.3 t -68.08 -40.84 83.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.858 179.301 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 161' ' ' ARG . . . . . 0.617 ' HG2' HH21 ' B' ' 135' ' ' ARG . 0.0 OUTLIER -64.33 -34.42 78.11 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.337 0.495 . . . . 10.0 112.337 -179.205 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -59.78 -37.38 78.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.869 0.366 . . . . 10.0 110.864 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 65.6 mt -66.32 -40.97 88.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 109.648 -0.501 . . . . 10.0 109.648 178.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 164' ' ' ARG . . . . . 0.612 HH12 ' HB2' ' C' ' 47' ' ' ASP . 98.9 mtt180 -65.18 -40.08 93.76 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.882 -0.599 . . . . 10.0 109.896 179.044 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -64.53 -48.37 75.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.467 -0.788 . . . . 10.0 110.09 179.466 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -57.8 -46.76 84.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.706 -0.679 . . . . 10.0 110.852 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 97.6 mttt . . . . . 0 C--N 1.326 -0.437 0 N-CA-C 112.243 0.46 . . . . 10.0 112.243 -179.422 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 8.4 tmtm? . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.772 0.32 . . . . 10.0 111.133 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 96.0 mt -71.57 -23.92 61.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.434 . . . . 10.0 111.409 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 73.5 mt -79.03 -50.26 11.36 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.886 0.374 . . . . 10.0 111.19 -179.54 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -63.47 -45.65 89.82 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.87 -0.604 . . . . 10.0 111.169 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -62.68 -31.3 72.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.846 -0.615 . . . . 10.0 110.664 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 24.5 t90 -67.81 -35.57 78.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.764 -0.653 . . . . 10.0 110.226 179.375 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -63.62 -38.28 90.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.909 0.385 . . . . 10.0 110.128 179.35 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 1.6 m -63.28 -42.99 99.16 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.003 -0.544 . . . . 10.0 109.638 178.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 61.7 t -67.01 -39.25 82.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 109.275 -0.639 . . . . 10.0 109.275 178.746 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 84.8 m -61.39 -46.91 88.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.746 -0.661 . . . . 10.0 110.63 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.6 -30.99 72.01 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.062 0.458 . . . . 10.0 110.375 179.628 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 47.3 m -65.82 -42.41 90.64 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 108.449 -0.945 . . . . 10.0 108.449 177.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -68.1 -35.25 77.86 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.496 -0.775 . . . . 10.0 110.193 179.359 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 13.7 m -62.35 -49.9 73.74 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.447 -0.575 . . . . 10.0 109.447 178.722 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 28.3 mmtp -64.23 -33.93 76.93 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.121 179.084 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 20.5 mt -65.01 -46.02 83.12 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.274 178.621 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 218' ' ' ARG . . . . . 0.502 ' HA ' HD12 ' A' ' 221' ' ' LEU . 82.1 mtt180 -62.92 -33.41 75.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.091 0.472 . . . . 10.0 110.187 179.239 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -68.78 -39.45 80.16 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.533 -0.758 . . . . 10.0 110.21 178.552 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -75.82 -33.16 60.07 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.243 179.362 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 221' ' ' LEU . . . . . 0.502 HD12 ' HA ' ' A' ' 218' ' ' ARG . 24.8 mt -52.99 -34.58 56.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.761 -0.654 . . . . 10.0 111.105 179.334 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -57.87 -70.56 0.95 Allowed Glycine 0 C--N 1.334 0.428 0 N-CA-C 111.274 -0.731 . . . . 10.0 111.274 178.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -53.54 -40.96 77.06 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.508 2.139 . . . . 10.0 111.544 178.326 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 224' ' ' VAL . . . . . 0.47 ' O ' ' HB2' ' A' ' 228' ' ' PHE . 21.2 t -55.86 -52.86 44.38 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.156 0 CA-C-N 116.619 -0.264 . . . . 10.0 111.494 179.494 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 7.7 p -64.17 -38.76 92.22 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.73 -0.388 . . . . 10.0 110.797 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -60.08 -51.19 70.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.35 -0.386 . . . . 10.0 110.457 179.189 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -65.78 -42.86 90.28 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.343 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 228' ' ' PHE . . . . . 0.47 ' HB2' ' O ' ' A' ' 224' ' ' VAL . 0.2 OUTLIER -59.72 -51.91 67.74 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.048 -0.524 . . . . 10.0 110.798 179.452 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 19.9 m95 -64.82 -37.83 88.94 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 116.423 -0.353 . . . . 10.0 111.265 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -61.43 -50.42 72.89 Favored 'General case' 0 C--N 1.333 -0.117 0 N-CA-C 109.663 -0.495 . . . . 10.0 109.663 178.609 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 231' ' ' ASN . . . . . 0.788 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 81.0 m-20 -66.12 -39.11 89.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.358 179.082 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 11.5 mt -62.45 -38.43 89.73 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.711 -0.477 . . . . 10.0 109.711 178.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 233' ' ' GLU . . . . . 0.526 ' HA ' ' OG1' ' A' ' 236' ' ' THR . 4.9 mm-40 -68.54 -25.77 65.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.729 178.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 234' ' ' LYS . . . . . 0.788 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 69.7 mttt -71.94 -40.45 68.73 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.053 -1.091 . . . . 10.0 108.053 177.43 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 235' ' ' GLU . . . . . 0.438 ' HG3' ' ND2' ' D' ' 539' ' ' ASN . 45.4 mt-10 -69.24 -45.08 70.65 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 114.98 -1.009 . . . . 10.0 110.09 179.316 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 236' ' ' THR . . . . . 0.526 ' OG1' ' HA ' ' A' ' 233' ' ' GLU . 18.4 p -65.0 -40.04 94.35 Favored 'General case' 0 C--O 1.223 -0.323 0 N-CA-C 109.568 -0.53 . . . . 10.0 109.568 178.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 237' ' ' GLU . . . . . 0.51 ' HA ' ' HD2' ' A' ' 240' ' ' ARG . 22.4 tt0 -58.89 -43.93 91.06 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 109.222 -0.659 . . . . 10.0 109.222 178.472 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -63.53 -45.49 94.62 Favored Glycine 0 N--CA 1.444 -0.783 0 N-CA-C 110.304 -1.118 . . . . 10.0 110.304 178.31 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 72.8 mt -63.48 -26.09 68.56 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.722 0.296 . . . . 10.0 110.684 179.184 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 240' ' ' ARG . . . . . 0.51 ' HD2' ' HA ' ' A' ' 237' ' ' GLU . 60.6 mtt180 -72.67 -40.0 66.65 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.125 -0.694 . . . . 10.0 109.125 178.467 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -68.92 -43.68 74.65 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.229 -1.026 . . . . 10.0 108.229 177.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -69.14 -21.47 64.01 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.194 -0.912 . . . . 10.0 110.995 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 49.9 ttm -64.41 -38.69 91.9 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.198 0.523 . . . . 10.0 109.615 178.627 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 244' ' ' SER . . . . . 0.585 ' HA ' ' HG2' ' A' ' 248' ' ' GLU . 2.1 m -76.61 7.14 4.86 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.39 -0.823 . . . . 10.0 110.044 179.227 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -120.97 -58.84 1.78 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.36 -0.607 . . . . 10.0 109.36 178.706 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 246' ' ' ASP . . . . . 0.606 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 1.5 m-20 -56.27 -54.34 46.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 10.0 111.245 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 247' ' ' LEU . . . . . 0.432 ' O ' HG12 ' A' ' 250' ' ' VAL . 63.1 mt -77.46 -45.44 25.7 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.845 0.683 . . . . 10.0 112.845 -178.552 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 248' ' ' GLU . . . . . 0.585 ' HG2' ' HA ' ' A' ' 244' ' ' SER . 70.4 mm-40 -61.01 -49.44 77.41 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.366 0.506 . . . . 10.0 112.366 -179.182 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -67.6 -37.91 83.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.416 -0.357 . . . . 10.0 110.701 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 250' ' ' VAL . . . . . 0.743 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 0.9 OUTLIER -67.45 -28.07 40.85 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.343 0 C-N-CA 120.428 -0.509 . . . . 10.0 110.79 179.551 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 251' ' ' LYS . . . . . 0.446 ' O ' HG12 ' A' ' 254' ' ' VAL . 56.1 mttt -78.08 -40.87 37.17 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 109.917 -0.401 . . . . 10.0 109.917 178.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -68.77 -36.64 78.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.798 -0.637 . . . . 10.0 109.958 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -83.83 -25.48 30.32 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.698 -0.683 . . . . 10.0 112.167 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 254' ' ' VAL . . . . . 0.743 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.5 OUTLIER -62.71 -26.37 40.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.9 0.381 . . . . 10.0 110.616 179.561 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 255' ' ' GLN . . . . . 0.554 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 13.2 mt-30 -61.78 -63.22 4.52 Favored Pre-proline 0 N--CA 1.452 -0.374 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.438 179.624 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 256' ' ' PRO . . . . . 0.554 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 36.7 Cg_endo -66.92 -32.08 36.49 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 121.799 1.666 . . . . 10.0 111.751 178.841 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 4.6 m-30 -61.87 -55.87 25.21 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.868 0.366 . . . . 10.0 110.461 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 43.2 mt -68.18 -31.97 71.89 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 115.954 -0.567 . . . . 10.0 111.027 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 259' ' ' ASP . . . . . 0.428 ' O ' ' HB2' ' A' ' 263' ' ' LYS . 8.1 t70 -67.33 -44.94 77.86 Favored 'General case' 0 C--O 1.224 -0.274 0 N-CA-C 110.124 -0.325 . . . . 10.0 110.124 179.18 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -61.51 -48.29 81.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.016 -0.538 . . . . 10.0 109.786 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 261' ' ' PHE . . . . . 0.5 ' O ' ' HB2' ' A' ' 265' ' ' TRP . 13.6 m-85 -65.04 -40.61 95.04 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 115.876 -0.602 . . . . 10.0 111.16 179.541 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -66.51 -42.29 87.55 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.775 -0.454 . . . . 10.0 109.775 179.238 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 263' ' ' LYS . . . . . 0.428 ' HB2' ' O ' ' A' ' 259' ' ' ASP . 11.8 ttmm -56.55 -53.4 58.04 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.126 -0.694 . . . . 10.0 109.126 178.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 264' ' ' LYS . . . . . 0.532 ' O ' ' HG3' ' A' ' 268' ' ' GLU . 75.2 mttt -66.62 -35.61 80.6 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.49 -0.777 . . . . 10.0 111.125 179.474 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 265' ' ' TRP . . . . . 0.5 ' HB2' ' O ' ' A' ' 261' ' ' PHE . 0.1 OUTLIER -62.37 -43.77 98.03 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 120.978 0.418 . . . . 10.0 110.39 179.417 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -61.59 -41.29 97.21 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.364 -0.606 . . . . 10.0 109.364 178.619 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 267' ' ' GLU . . . . . 0.435 ' O ' ' HG ' ' A' ' 271' ' ' LEU . 43.3 mt-10 -66.19 -36.64 83.61 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.682 -0.69 . . . . 10.0 109.835 178.421 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 268' ' ' GLU . . . . . 0.573 ' HG2' ' HD3' ' D' ' 506' ' ' ARG . 28.0 mt-10 -63.15 -46.19 88.34 Favored 'General case' 0 CA--C 1.519 -0.217 0 N-CA-C 108.385 -0.969 . . . . 10.0 108.385 177.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 87.8 mmm -61.73 -38.8 89.27 Favored 'General case' 0 C--O 1.225 -0.21 0 CA-C-N 115.705 -0.679 . . . . 10.0 109.832 178.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -63.55 -43.27 97.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.151 -0.477 . . . . 10.0 109.8 178.575 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 271' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 267' ' ' GLU . 88.6 mt -66.06 -36.38 83.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.768 -0.651 . . . . 10.0 109.693 178.609 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -68.06 -41.12 82.46 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.455 -0.572 . . . . 10.0 109.455 178.22 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 63.2 mtt180 -63.28 -45.86 89.52 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 115.921 -0.582 . . . . 10.0 110.916 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -72.48 -8.01 52.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.367 -0.379 . . . . 10.0 111.927 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 275' ' ' LYS . . . . . 0.826 ' HG2' HD21 ' D' ' 499' ' ' LEU . 9.9 mptt -104.57 -45.95 4.49 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.504 -0.317 . . . . 10.0 110.965 179.21 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 8.6 p -54.98 -33.48 29.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 112.676 0.621 . . . . 10.0 112.676 -179.215 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 277' ' ' GLU . . . . . 0.418 ' HB2' ' HD3' ' A' ' 278' ' ' PRO . 57.4 mt-10 -66.94 -61.55 4.76 Favored Pre-proline 0 C--N 1.329 -0.3 0 C-N-CA 120.841 -0.344 . . . . 10.0 111.915 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 278' ' ' PRO . . . . . 0.418 ' HD3' ' HB2' ' A' ' 277' ' ' GLU . 34.4 Cg_endo -66.0 -37.66 25.43 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 121.882 1.721 . . . . 10.0 112.172 178.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 279' ' ' LEU . . . . . 0.861 HD22 ' HE3' ' D' ' 495' ' ' LYS . 22.8 mt -62.96 -40.36 97.46 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 121.027 -0.269 . . . . 10.0 110.692 179.267 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 37.3 ttm180 -66.41 -32.97 74.69 Favored 'General case' 0 C--N 1.334 -0.085 0 N-CA-C 109.406 -0.591 . . . . 10.0 109.406 178.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -66.0 -49.2 68.61 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.009 -0.737 . . . . 10.0 109.009 178.441 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -60.0 -45.28 93.28 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.686 -0.688 . . . . 10.0 109.444 178.626 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 20.9 mt -60.36 -44.41 95.6 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 115.654 -0.703 . . . . 10.0 110.674 179.419 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -65.5 -47.44 75.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.682 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -59.91 -48.01 83.44 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.757 -0.46 . . . . 10.0 109.757 179.123 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -62.46 -46.02 94.69 Favored Glycine 0 N--CA 1.441 -1.033 0 N-CA-C 111.337 -0.705 . . . . 10.0 111.337 179.202 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -60.46 -44.22 96.08 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 110.559 -0.163 . . . . 10.0 110.559 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 81.4 mtt180 -57.09 -50.4 72.89 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 123.389 0.431 . . . . 10.0 110.11 179.22 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -64.59 -46.52 82.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.962 -0.563 . . . . 10.0 111.475 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 290' ' ' LYS . . . . . 0.415 ' O ' ' HG ' ' A' ' 294' ' ' LEU . 73.5 mttt -63.09 -43.97 97.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.421 -0.354 . . . . 10.0 110.99 -179.682 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 291' ' ' LEU . . . . . 0.618 HD23 HD12 ' A' ' 294' ' ' LEU . 87.8 mt -67.98 -33.67 75.07 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.441 -0.345 . . . . 10.0 110.834 179.38 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -68.17 -41.62 81.21 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.024 -0.732 . . . . 10.0 109.024 178.165 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.02 -31.83 73.16 Favored 'General case' 0 N--CA 1.457 -0.08 0 N-CA-C 109.152 -0.685 . . . . 10.0 109.152 178.563 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 294' ' ' LEU . . . . . 0.618 HD12 HD23 ' A' ' 291' ' ' LEU . 73.4 mt -70.0 -41.44 74.36 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.016 -0.735 . . . . 10.0 109.016 177.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -63.12 -31.36 72.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.801 -0.636 . . . . 10.0 109.695 178.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 48.2 mm-40 -65.3 -11.1 38.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.548 -0.751 . . . . 10.0 110.663 178.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 297' ' ' LYS . . . . . 0.457 ' O ' ' HB2' ' A' ' 301' ' ' LEU . 5.6 mmtp -117.69 -39.46 3.13 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.321 -0.399 . . . . 10.0 110.297 179.587 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 81.5 mt -61.42 -30.9 70.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.26 -0.427 . . . . 10.0 111.833 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 299' ' ' SER . . . . . 0.513 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 19.7 m -79.87 -63.56 0.36 Allowed Pre-proline 0 CA--C 1.542 0.643 0 N-CA-C 113.017 0.747 . . . . 10.0 113.017 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 300' ' ' PRO . . . . . 0.513 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 43.4 Cg_endo -68.32 -53.8 0.35 Allowed 'Trans proline' 0 C--N 1.355 0.874 0 C-N-CA 121.914 1.743 . . . . 10.0 112.563 -179.357 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 301' ' ' LEU . . . . . 0.457 ' HB2' ' O ' ' A' ' 297' ' ' LYS . 79.6 mt -65.93 -30.52 71.11 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.788 0.327 . . . . 10.0 110.162 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 302' ' ' GLY . . . . . 0.43 ' O ' ' HG3' ' A' ' 306' ' ' ARG . . . -66.01 -44.0 92.39 Favored Glycine 0 N--CA 1.445 -0.731 0 N-CA-C 110.243 -1.143 . . . . 10.0 110.243 178.427 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -68.08 -41.74 81.45 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.434 -0.58 . . . . 10.0 109.434 178.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -60.93 -39.17 88.42 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.761 -0.654 . . . . 10.0 109.748 178.674 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 305' ' ' MET . . . . . 0.572 ' SD ' ' HE3' ' D' ' 473' ' ' LYS . 13.5 tpt -62.62 -34.81 77.78 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.758 -0.655 . . . . 10.0 109.964 179.12 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 306' ' ' ARG . . . . . 0.49 ' O ' ' HG3' ' A' ' 310' ' ' ARG . 91.3 mtt180 -69.83 -43.43 71.99 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 121.146 0.498 . . . . 10.0 109.689 179.217 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -60.95 -47.28 87.16 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.785 -0.643 . . . . 10.0 109.547 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 308' ' ' ARG . . . . . 0.5 ' HG3' HD21 ' D' ' 469' ' ' LEU . 10.2 mmt180 -69.92 -26.72 64.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.787 178.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -69.19 -39.22 78.79 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 108.769 -0.826 . . . . 10.0 108.769 178.345 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 310' ' ' ARG . . . . . 0.49 ' HG3' ' O ' ' A' ' 306' ' ' ARG . 80.4 mtt180 -59.24 -46.36 88.71 Favored 'General case' 0 CA--C 1.516 -0.327 0 N-CA-C 108.641 -0.874 . . . . 10.0 108.641 177.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -66.39 -41.03 89.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.622 -0.717 . . . . 10.0 110.108 179.076 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 312' ' ' HIS . . . . . 0.56 ' HE1' ' HB2' ' D' ' 465' ' ' GLU . 0.1 OUTLIER -56.68 -51.95 66.81 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.016 178.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 58.6 t -73.35 -35.1 45.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.581 -0.736 . . . . 10.0 111.78 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -61.63 -46.76 88.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.665 0.269 . . . . 10.0 110.559 179.457 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -62.31 -35.95 80.63 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.172 -0.677 . . . . 10.0 109.172 178.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 29.4 mt -67.83 -45.72 73.87 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.456 178.628 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 9.1 mtm105 -59.88 -51.86 67.92 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.982 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 1.9 m -63.37 -23.15 67.28 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.076 -0.511 . . . . 10.0 111.754 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 319' ' ' HIS . . . . . 0.489 ' CE1' ' HB2' ' D' ' 458' ' ' ASP . 2.6 m80 -91.4 -44.63 9.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.745 0.307 . . . . 10.0 111.665 179.471 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 320' ' ' LEU . . . . . 0.485 ' HA ' ' HB2' ' A' ' 323' ' ' TYR . 93.7 mt -71.87 -25.68 62.05 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.432 0.531 . . . . 10.0 112.432 -179.19 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -58.06 -58.21 20.34 Favored Pre-proline 0 CA--C 1.538 0.488 0 N-CA-C 111.442 0.164 . . . . 10.0 111.442 179.274 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -68.2 -27.43 35.1 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 121.616 1.544 . . . . 10.0 110.545 178.307 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 323' ' ' TYR . . . . . 0.485 ' HB2' ' HA ' ' A' ' 320' ' ' LEU . 11.6 m-30 -65.73 -43.96 87.48 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.402 179.045 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 324' ' ' SER . . . . . 0.476 ' HA ' ' HB2' ' A' ' 327' ' ' LEU . 3.0 p -70.83 -31.44 68.17 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 109.257 -0.646 . . . . 10.0 109.257 178.805 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -62.16 -44.65 96.15 Favored 'General case' 0 N--CA 1.462 0.167 0 N-CA-C 108.633 -0.877 . . . . 10.0 108.633 177.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -70.0 -35.22 74.21 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-N 115.525 -0.761 . . . . 10.0 109.205 178.258 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 327' ' ' LEU . . . . . 0.476 ' HB2' ' HA ' ' A' ' 324' ' ' SER . 13.7 mt -61.54 -39.07 89.76 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.223 178.782 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 328' ' ' ARG . . . . . 0.476 ' HG3' ' O ' ' A' ' 324' ' ' SER . 70.6 mtt180 -59.99 -43.68 95.01 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.267 -0.642 . . . . 10.0 109.267 178.844 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -69.26 -40.92 77.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.564 -0.743 . . . . 10.0 110.23 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 330' ' ' ARG . . . . . 0.707 HH21 ' HB3' ' D' ' 447' ' ' GLU . 27.6 mtt-85 -62.03 -47.74 83.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.404 179.225 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 40.6 mt -60.67 -41.89 95.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.934 -0.575 . . . . 10.0 110.099 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -63.22 -50.48 70.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.152 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -57.95 -46.75 84.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.888 179.614 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 73.8 mtt-85 -62.91 -47.61 82.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.422 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 50.0 mt -61.0 -41.21 96.09 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-N 116.182 -0.463 . . . . 10.0 111.333 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -65.76 -42.85 90.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.761 0.315 . . . . 10.0 110.489 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -63.32 -45.62 90.46 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.527 -0.545 . . . . 10.0 109.527 179.04 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 96.6 mt -71.22 -10.29 59.51 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.532 -0.758 . . . . 10.0 111.448 179.453 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -92.32 -47.02 7.41 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.511 -0.551 . . . . 10.0 109.511 178.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -69.63 -46.21 66.73 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.963 -0.562 . . . . 10.0 109.925 179.349 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -74.95 -33.68 61.97 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.778 -0.823 . . . . 10.0 108.778 178.449 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -64.91 -39.02 96.22 Favored Glycine 0 N--CA 1.45 -0.426 0 CA-C-N 115.461 -0.79 . . . . 10.0 111.781 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -63.14 -40.71 99.48 Favored Glycine 0 N--CA 1.45 -0.385 0 N-CA-C 110.894 -0.882 . . . . 10.0 110.894 178.488 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -65.9 -42.79 89.76 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.264 -0.643 . . . . 10.0 109.264 178.717 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 345' ' ' ARG . . . . . 0.41 ' HG2' ' OD1' ' D' ' 429' ' ' ASN . 44.8 mtm180 -62.85 -41.53 99.39 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.228 178.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 24.7 mt -66.35 -46.94 75.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.449 -0.341 . . . . 10.0 110.698 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.49 -42.55 96.53 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.085 0.469 . . . . 10.0 110.184 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -67.1 -45.04 78.43 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.98 -0.555 . . . . 10.0 110.899 179.386 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -61.85 -37.01 82.9 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-O 120.964 0.411 . . . . 10.0 110.171 179.317 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.41 -44.01 88.76 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.63 -0.714 . . . . 10.0 109.461 178.424 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -63.71 -44.32 93.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.001 178.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 14.2 mttm -61.83 -39.83 93.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.802 -0.636 . . . . 10.0 109.682 178.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 353' ' ' ALA . . . . . 0.428 ' O ' ' HG ' ' A' ' 357' ' ' LEU . . . -66.82 -35.0 79.06 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.194 179.042 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 40.4 m -66.35 -43.38 86.22 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.451 -0.574 . . . . 10.0 109.451 178.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -66.87 -32.6 73.98 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 109.211 -0.663 . . . . 10.0 109.211 178.319 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -67.0 -28.78 68.53 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.594 -0.73 . . . . 10.0 109.527 178.383 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 357' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 353' ' ' ALA . 48.0 mt -72.97 -34.51 66.52 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.43 178.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.82 -44.77 88.77 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.546 -0.539 . . . . 10.0 109.546 179.052 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.39 -32.24 66.22 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 116.003 -0.544 . . . . 10.0 109.729 179.014 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 41.0 tp -65.31 -35.84 82.24 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 108.899 -0.778 . . . . 10.0 108.899 178.077 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 361' ' ' SER . . . . . 0.426 ' HB3' ' HE3' ' A' ' 365' ' ' LYS . 71.1 m -64.42 -29.67 70.73 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.655 -0.702 . . . . 10.0 110.035 179.069 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 362' ' ' GLU . . . . . 0.442 ' C ' ' HD2' ' A' ' 366' ' ' PRO . 49.9 mm-40 -71.48 -17.39 62.36 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.153 0.501 . . . . 10.0 109.847 178.674 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 363' ' ' LYS . . . . . 0.747 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 80.9 mttt -97.7 -37.31 9.94 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.635 -0.711 . . . . 10.0 109.452 178.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -77.02 -31.32 56.25 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.921 0.712 . . . . 10.0 112.921 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 365' ' ' LYS . . . . . 0.986 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 69.5 mttt -100.35 -71.67 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 N-CA-C 112.421 0.526 . . . . 10.0 112.421 -179.605 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 366' ' ' PRO . . . . . 0.986 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 24.4 Cg_exo -64.76 -56.7 0.37 Allowed 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 121.836 1.691 . . . . 10.0 113.128 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 367' ' ' ALA . . . . . 0.747 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -57.56 -47.67 81.42 Favored 'General case' 0 C--O 1.225 -0.195 0 N-CA-C 112.684 0.624 . . . . 10.0 112.684 -179.131 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 368' ' ' LEU . . . . . 0.463 HD23 ' HA ' ' A' ' 368' ' ' LEU . 10.5 mt -62.09 -43.52 98.67 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.943 -0.303 . . . . 10.0 110.833 179.564 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -62.23 -44.61 96.18 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.975 -0.75 . . . . 10.0 108.975 178.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -59.78 -43.33 94.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.459 -0.791 . . . . 10.0 109.806 179.262 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 75.4 mt -63.3 -47.58 81.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.519 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 372' ' ' ARG . . . . . 0.426 ' O ' ' HG ' ' A' ' 376' ' ' LEU . 93.3 mtt180 -60.91 -44.43 97.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.291 179.508 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -63.17 -30.21 71.41 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.84 -0.618 . . . . 10.0 111.3 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -83.65 -34.69 18.54 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.766 -0.73 . . . . 10.0 111.598 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 83.9 mt -74.25 -32.31 62.91 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.376 0.509 . . . . 10.0 112.376 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 376' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 372' ' ' ARG . 68.8 mt -51.27 -59.43 7.77 Favored Pre-proline 0 CA--C 1.535 0.38 0 N-CA-C 112.269 0.47 . . . . 10.0 112.269 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -61.45 -29.84 85.84 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.197 1.932 . . . . 10.0 111.455 178.685 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 38.1 t -64.69 -43.51 96.59 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.12 0 N-CA-C 108.697 -0.853 . . . . 10.0 108.697 178.498 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 55.1 mt -63.9 -37.72 88.44 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.422 -0.585 . . . . 10.0 109.422 178.711 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 380' ' ' GLU . . . . . 0.477 ' O ' HG23 ' A' ' 384' ' ' VAL . 24.8 mm-40 -59.17 -52.49 65.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.692 -0.686 . . . . 10.0 110.32 179.07 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 4.0 p -67.36 -39.93 85.74 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.404 -0.362 . . . . 10.0 110.688 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.34 -44.76 88.84 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.425 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -60.19 -41.18 92.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.407 -0.361 . . . . 10.0 110.758 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 384' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 380' ' ' GLU . 55.0 t -62.02 -47.23 94.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 109.934 -0.395 . . . . 10.0 109.934 179.187 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 12.3 m -62.99 -49.23 75.52 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.706 -0.679 . . . . 10.0 110.828 179.334 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -61.82 -43.25 99.22 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.114 -0.493 . . . . 10.0 111.8 -179.38 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 47.0 mt -61.02 -50.66 72.44 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.689 -0.232 . . . . 10.0 111.605 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 9.0 p -65.87 -34.81 79.0 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.472 -0.331 . . . . 10.0 110.936 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -64.03 -43.07 96.71 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.517 -0.31 . . . . 10.0 110.626 178.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 68.5 mt -59.05 -44.05 91.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.962 -0.563 . . . . 10.0 109.675 178.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -66.17 -38.31 87.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.628 -0.714 . . . . 10.0 110.285 179.444 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 392' ' ' GLU . . . . . 0.66 ' HB3' ' HE1' ' D' ' 591' ' ' TYR . 42.0 mm-40 -59.69 -42.67 93.49 Favored 'General case' 0 CA--C 1.521 -0.172 0 CA-C-N 116.181 -0.463 . . . . 10.0 111.678 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -64.51 -48.88 73.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.964 -0.562 . . . . 10.0 111.079 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -68.24 -24.55 64.92 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.114 0.483 . . . . 10.0 110.987 179.36 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -71.04 -28.96 64.76 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 115.84 -0.618 . . . . 10.0 111.539 -179.451 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 396' ' ' LYS . . . . . 0.447 ' HG2' ' HB2' ' D' ' 587' ' ' ALA . 2.0 mptt -111.9 -20.02 12.17 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 113.142 0.793 . . . . 10.0 113.142 -179.166 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 95.4 mt -100.53 8.89 43.21 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 120.74 0.305 . . . . 10.0 111.323 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 63.7 t30 . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.315 -0.402 . . . . 10.0 110.432 179.573 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 2.4 mm? . . . . . 0 CA--C 1.52 -0.179 0 CA-C-O 121.323 0.582 . . . . 10.0 110.051 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -99.65 19.56 15.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.406 -0.816 . . . . 10.0 110.14 179.587 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 71.2 mt -63.72 -30.76 71.82 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.619 -0.719 . . . . 10.0 110.803 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 18.1 mt -64.68 -41.93 95.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.339 0.59 . . . . 10.0 110.199 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -74.46 -35.0 63.29 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.018 -0.537 . . . . 10.0 109.934 178.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -64.54 -38.86 92.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.176 179.318 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 1.1 m95 -70.23 -29.45 66.27 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.522 -0.763 . . . . 10.0 110.642 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -61.28 -44.7 96.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.136 -0.483 . . . . 10.0 110.144 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.46 -39.12 93.61 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.275 179.466 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 44.5 t -69.9 -41.01 79.48 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.096 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 37.0 m -63.88 -36.01 82.54 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.321 0.582 . . . . 10.0 109.876 178.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 67.2 m -66.04 -41.84 90.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.762 -0.653 . . . . 10.0 110.652 178.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 411' ' ' THR . . . . . 0.571 ' O ' ' HG ' ' D' ' 415' ' ' LEU . 0.1 OUTLIER -68.56 -34.77 76.4 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 110.085 -0.339 . . . . 10.0 110.085 179.41 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -63.79 -40.57 96.97 Favored 'General case' 0 N--CA 1.46 0.069 0 N-CA-C 109.088 -0.708 . . . . 10.0 109.088 177.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 19.5 m -67.14 -38.98 86.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.219 -0.901 . . . . 10.0 109.083 178.72 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 414' ' ' LYS . . . . . 0.453 ' HD3' ' HA ' ' D' ' 414' ' ' LYS . 41.0 mmtt -65.08 -28.29 69.36 Favored 'General case' 0 CA--C 1.522 -0.131 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.361 178.589 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 415' ' ' LEU . . . . . 0.571 ' HG ' ' O ' ' D' ' 411' ' ' THR . 82.1 mt -67.83 -37.55 82.07 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.115 -0.698 . . . . 10.0 109.115 178.747 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 416' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' D' ' 416' ' ' ARG . 60.2 mtt180 -69.84 -36.37 75.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.704 -0.68 . . . . 10.0 109.733 179.209 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -61.68 -28.04 69.11 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-N 115.666 -0.697 . . . . 10.0 109.883 178.711 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -84.51 -51.45 6.89 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.428 -0.806 . . . . 10.0 108.853 177.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 33.8 mt -44.8 -47.81 10.94 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.241 -0.89 . . . . 10.0 112.768 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -51.62 -75.55 0.21 Allowed Glycine 0 CA--C 1.523 0.557 0 C-N-CA 121.186 -0.531 . . . . 10.0 112.934 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 421' ' ' PRO . . . . . 0.581 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 48.3 Cg_exo -57.39 -41.83 68.38 Favored 'Trans proline' 0 C--O 1.234 0.294 0 C-N-CA 122.872 2.381 . . . . 10.0 112.52 179.584 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 422' ' ' VAL . . . . . 0.469 ' O ' ' HB2' ' D' ' 426' ' ' PHE . 37.5 t -58.32 -49.9 80.37 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.198 0 N-CA-C 112.221 0.452 . . . . 10.0 112.221 -179.414 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 46.7 p -66.59 -33.99 76.9 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.773 -0.371 . . . . 10.0 110.739 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -61.28 -52.29 65.33 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.98 -0.378 . . . . 10.0 109.98 179.003 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 425' ' ' GLU . . . . . 0.581 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 11.4 pt-20 -73.43 -25.53 60.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.772 179.158 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 426' ' ' PHE . . . . . 0.469 ' HB2' ' O ' ' D' ' 422' ' ' VAL . 17.1 t80 -70.21 -38.72 75.34 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 108.981 -0.748 . . . . 10.0 108.981 178.652 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 427' ' ' TRP . . . . . 0.455 ' O ' ' HG3' ' D' ' 431' ' ' GLU . 2.4 m95 -64.78 -44.02 91.35 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 108.7 -0.852 . . . . 10.0 108.7 178.316 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 428' ' ' ASP . . . . . 0.5 ' O ' ' HG3' ' D' ' 432' ' ' LYS . 21.2 t70 -63.38 -37.34 86.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.274 -0.875 . . . . 10.0 109.288 178.481 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 429' ' ' ASN . . . . . 0.41 ' OD1' ' HG2' ' A' ' 345' ' ' ARG . 4.7 t30 -66.35 -44.44 83.23 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.111 -0.7 . . . . 10.0 109.111 177.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 85.0 mt -61.08 -36.42 79.6 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 115.763 -0.653 . . . . 10.0 110.188 179.169 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 431' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' D' ' 427' ' ' TRP . 25.2 mt-10 -63.16 -39.34 94.37 Favored 'General case' 0 CA--C 1.522 -0.124 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.069 178.749 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 432' ' ' LYS . . . . . 0.5 ' HG3' ' O ' ' D' ' 428' ' ' ASP . 50.4 mttp -66.64 -43.31 84.99 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 109.201 -0.666 . . . . 10.0 109.201 178.688 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -61.77 -52.01 65.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.689 -0.687 . . . . 10.0 111.176 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 2.6 p -59.68 -47.54 85.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.384 -0.371 . . . . 10.0 111.322 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 435' ' ' GLU . . . . . 0.428 ' O ' ' HG3' ' D' ' 439' ' ' GLN . 9.5 mm-40 -62.85 -41.19 99.26 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 116.491 -0.322 . . . . 10.0 110.253 179.046 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -63.99 -43.25 97.67 Favored Glycine 0 N--CA 1.449 -0.486 0 N-CA-C 110.848 -0.901 . . . . 10.0 110.848 178.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 85.9 mt -64.89 -34.93 79.57 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.426 -0.583 . . . . 10.0 109.426 178.492 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 438' ' ' ARG . . . . . 0.412 ' HD2' ' OE1' ' D' ' 435' ' ' GLU . 56.5 mtt180 -66.97 -36.15 81.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.748 -0.66 . . . . 10.0 109.632 178.791 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 439' ' ' GLN . . . . . 0.428 ' HG3' ' O ' ' D' ' 435' ' ' GLU . 95.4 mt-30 -60.03 -41.21 91.75 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 109.101 -0.703 . . . . 10.0 109.101 178.382 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -70.91 -49.45 45.65 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.647 -0.706 . . . . 10.0 109.339 178.532 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 8.1 mmt -57.27 -37.81 72.95 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 112.794 0.664 . . . . 10.0 112.794 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 442' ' ' SER . . . . . 0.437 ' O ' ' HG2' ' D' ' 446' ' ' GLU . 44.7 m -58.5 -40.38 82.66 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.247 0.546 . . . . 10.0 110.316 179.339 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp -85.93 -42.91 13.65 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.437 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 444' ' ' ASP . . . . . 0.638 ' O ' ' HB ' ' D' ' 448' ' ' VAL . 26.2 t70 -60.05 -56.05 26.44 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.878 -0.601 . . . . 10.0 112.564 -179.136 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 445' ' ' LEU . . . . . 0.531 ' O ' HG12 ' D' ' 448' ' ' VAL . 96.1 mt -65.2 -44.8 87.21 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 113.061 0.764 . . . . 10.0 113.061 -178.305 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 446' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' D' ' 442' ' ' SER . 5.3 mm-40 -67.63 -45.7 74.61 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.784 -0.366 . . . . 10.0 111.258 -179.627 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 447' ' ' GLU . . . . . 0.707 ' HB3' HH21 ' A' ' 330' ' ' ARG . 33.3 tt0 -70.4 -29.31 65.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.557 -0.292 . . . . 10.0 110.706 179.565 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 448' ' ' VAL . . . . . 0.638 ' HB ' ' O ' ' D' ' 444' ' ' ASP . 0.3 OUTLIER -66.63 -27.41 40.03 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.355 0 N-CA-C 109.844 -0.428 . . . . 10.0 109.844 178.811 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -71.68 -29.37 64.52 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 108.789 -0.819 . . . . 10.0 108.789 178.04 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -96.72 15.71 21.12 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.211 -0.904 . . . . 10.0 109.655 179.108 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 451' ' ' LYS . . . . . 0.424 ' HB2' ' HA ' ' D' ' 448' ' ' VAL . 45.0 mttm -125.71 -49.09 1.64 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.354 -0.839 . . . . 10.0 109.776 178.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 452' ' ' VAL . . . . . 0.451 HG23 HG22 ' D' ' 448' ' ' VAL . 39.2 t -62.01 -43.75 98.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.586 179.39 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -60.74 -57.44 26.49 Favored Pre-proline 0 CA--C 1.533 0.309 0 N-CA-C 112.743 0.646 . . . . 10.0 112.743 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_endo -61.15 -35.86 83.9 Favored 'Trans proline' 0 C--N 1.352 0.753 0 C-N-CA 121.675 1.584 . . . . 10.0 111.456 178.499 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 455' ' ' TYR . . . . . 0.412 ' CD1' ' HE2' ' A' ' 323' ' ' TYR . 4.9 t80 -68.54 -34.25 75.52 Favored 'General case' 0 C--O 1.232 0.158 0 N-CA-C 109.64 -0.504 . . . . 10.0 109.64 178.707 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 456' ' ' LEU . . . . . 0.434 ' HA ' HD23 ' D' ' 456' ' ' LEU . 13.6 mt -69.65 -36.8 76.39 Favored 'General case' 0 C--O 1.219 -0.552 0 N-CA-C 108.851 -0.796 . . . . 10.0 108.851 178.155 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -65.04 -43.36 92.59 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 108.861 -0.792 . . . . 10.0 108.861 178.092 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 458' ' ' ASP . . . . . 0.489 ' HB2' ' CE1' ' A' ' 319' ' ' HIS . 16.3 t70 -60.97 -42.52 98.49 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 115.221 -0.9 . . . . 10.0 109.164 178.328 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -68.98 -41.41 77.91 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.046 -0.979 . . . . 10.0 110.598 178.696 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -58.96 -43.98 91.4 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 109.923 -0.399 . . . . 10.0 109.923 179.159 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 461' ' ' LYS . . . . . 0.508 ' O ' ' HG3' ' D' ' 465' ' ' GLU . 74.4 mttt -61.8 -43.65 98.43 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.427 -0.583 . . . . 10.0 109.427 178.629 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 2.8 mtmm -66.77 -39.56 87.88 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.169 179.075 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 21.0 m0 -63.83 -39.26 93.81 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.569 -0.53 . . . . 10.0 109.569 178.713 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -65.34 -46.27 80.9 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 109.273 -0.64 . . . . 10.0 109.273 178.466 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 465' ' ' GLU . . . . . 0.56 ' HB2' ' HE1' ' A' ' 312' ' ' HIS . 42.5 mt-10 -57.43 -48.35 79.37 Favored 'General case' 0 C--O 1.223 -0.334 0 N-CA-C 108.805 -0.813 . . . . 10.0 108.805 178.404 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 466' ' ' GLU . . . . . 0.402 ' HG3' ' CZ ' ' D' ' 470' ' ' TYR . 6.7 tp10 -60.36 -52.35 65.61 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.736 -0.665 . . . . 10.0 111.07 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 72.6 mtm -60.2 -38.65 83.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 10.0 111.695 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 468' ' ' GLU . . . . . 0.433 ' HA ' ' HD2' ' D' ' 471' ' ' ARG . 40.1 mt-10 -74.89 -36.82 62.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.451 -0.34 . . . . 10.0 110.61 179.427 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 469' ' ' LEU . . . . . 0.567 HD22 ' HE2' ' D' ' 473' ' ' LYS . 34.4 mt -61.3 -42.26 98.36 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.104 -0.702 . . . . 10.0 109.104 178.531 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 470' ' ' TYR . . . . . 0.402 ' CZ ' ' HG3' ' D' ' 466' ' ' GLU . 22.9 m-30 -64.73 -23.85 67.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.955 -0.566 . . . . 10.0 111.049 179.532 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 471' ' ' ARG . . . . . 0.967 ' HA ' ' HG3' ' D' ' 475' ' ' GLU . 48.8 mtt85 -77.28 -25.15 51.08 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.291 0.567 . . . . 10.0 109.6 178.579 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -106.7 7.26 30.39 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.885 -0.598 . . . . 10.0 110.822 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 473' ' ' LYS . . . . . 0.572 ' HE3' ' SD ' ' A' ' 305' ' ' MET . 65.0 mttm -127.72 -72.48 0.63 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.057 -0.519 . . . . 10.0 110.311 179.673 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 11.3 t -62.88 -44.87 99.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.833 -0.621 . . . . 10.0 112.441 -178.367 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 475' ' ' GLU . . . . . 0.967 ' HG3' ' HA ' ' D' ' 471' ' ' ARG . 3.6 mt-10 -56.91 -55.2 46.27 Favored Pre-proline 0 N--CA 1.47 0.528 0 N-CA-C 112.551 0.574 . . . . 10.0 112.551 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -66.34 -36.44 27.59 Favored 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 121.481 1.454 . . . . 10.0 111.225 177.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 477' ' ' LEU . . . . . 0.437 ' HB2' ' O ' ' D' ' 473' ' ' LYS . 8.8 mt -66.11 -23.95 66.59 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 116.292 -0.413 . . . . 10.0 110.654 179.412 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 478' ' ' ARG . . . . . 0.418 ' HB2' ' O ' ' D' ' 475' ' ' GLU . 14.5 mtt-85 -62.41 -32.96 73.87 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.14 -0.689 . . . . 10.0 109.14 178.365 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -72.71 -38.11 67.59 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 108.717 -0.846 . . . . 10.0 108.717 178.433 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.79 -43.65 88.13 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.128 -0.693 . . . . 10.0 109.128 178.071 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 72.8 mt -64.48 -38.81 92.32 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 115.362 -0.835 . . . . 10.0 109.54 178.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -70.84 -41.34 71.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.574 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -64.72 -43.96 91.75 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.485 -0.561 . . . . 10.0 109.485 178.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -65.31 -33.95 88.1 Favored Glycine 0 N--CA 1.451 -0.343 0 N-CA-C 110.409 -1.077 . . . . 10.0 110.409 178.514 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -70.6 -42.7 70.62 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.621 -0.511 . . . . 10.0 109.621 178.325 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -60.54 -41.65 94.91 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 108.553 -0.906 . . . . 10.0 108.553 178.332 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.47 -47.84 74.73 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.338 -0.846 . . . . 10.0 109.309 178.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -59.97 -43.18 95.24 Favored 'General case' 0 C--O 1.226 -0.16 0 CA-C-N 116.361 -0.381 . . . . 10.0 110.493 179.347 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 61.3 mt -63.12 -39.17 93.89 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.312 -0.625 . . . . 10.0 109.312 178.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 32.0 t60 -64.22 -46.42 83.95 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 108.787 -0.82 . . . . 10.0 108.787 178.356 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -61.43 -41.74 97.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.34 -0.845 . . . . 10.0 109.739 178.498 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 30.8 mt -66.37 -48.18 70.98 Favored 'General case' 0 C--O 1.216 -0.699 0 CA-C-N 115.434 -0.803 . . . . 10.0 111.1 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -59.6 -35.72 74.87 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.915 0.388 . . . . 10.0 110.975 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -72.4 3.76 4.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.733 -0.667 . . . . 10.0 110.988 179.011 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 495' ' ' LYS . . . . . 0.861 ' HE3' HD22 ' A' ' 279' ' ' LEU . 49.8 mttp -126.87 -45.59 1.59 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.857 -0.611 . . . . 10.0 109.734 178.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 98.9 mt -56.13 -35.14 66.77 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 116.171 -0.468 . . . . 10.0 112.176 -179.322 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 497' ' ' SER . . . . . 0.417 ' HB2' ' CD ' ' D' ' 498' ' ' PRO . 3.2 m -79.22 -62.84 0.42 Allowed Pre-proline 0 C--N 1.324 -0.519 0 CA-C-O 119.371 -0.347 . . . . 10.0 111.915 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 498' ' ' PRO . . . . . 0.417 ' CD ' ' HB2' ' D' ' 497' ' ' SER . 20.7 Cg_endo -60.43 -49.53 8.86 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 122.245 1.964 . . . . 10.0 112.556 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 499' ' ' LEU . . . . . 0.826 HD21 ' HG2' ' A' ' 275' ' ' LYS . 96.8 mt -71.84 -26.14 62.25 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-O 120.743 0.306 . . . . 10.0 110.213 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -65.04 -51.29 52.26 Favored Glycine 0 N--CA 1.446 -0.684 0 N-CA-C 110.017 -1.233 . . . . 10.0 110.017 178.537 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -66.13 -34.13 77.35 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 109.464 -0.569 . . . . 10.0 109.464 178.475 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 502' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -64.6 -49.33 71.55 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.721 -0.672 . . . . 10.0 109.581 178.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 52.9 mmm -62.22 -39.01 91.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.008 -0.542 . . . . 10.0 109.828 179.098 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 504' ' ' ARG . . . . . 0.504 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 67.8 mtt180 -66.94 -39.65 87.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.685 179.307 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 505' ' ' ASP . . . . . 0.532 ' HA ' ' HD2' ' D' ' 508' ' ' ARG . 28.1 t70 -68.91 -41.01 78.8 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 110.035 -0.357 . . . . 10.0 110.035 178.72 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 506' ' ' ARG . . . . . 0.573 ' HD3' ' HG2' ' A' ' 268' ' ' GLU . 12.3 mtm180 -64.82 -34.37 78.2 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.03 -0.73 . . . . 10.0 109.03 178.197 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -66.38 -38.97 88.75 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 108.707 -0.849 . . . . 10.0 108.707 177.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 508' ' ' ARG . . . . . 0.532 ' HD2' ' HA ' ' D' ' 505' ' ' ASP . 75.7 mtt180 -60.26 -45.4 93.39 Favored 'General case' 0 C--O 1.224 -0.281 0 N-CA-C 108.536 -0.913 . . . . 10.0 108.536 178.105 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -60.25 -33.64 72.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.46 -0.791 . . . . 10.0 111.066 179.278 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 510' ' ' HIS . . . . . 0.41 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 4.5 m-70 -77.49 -48.35 17.3 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.051 0.453 . . . . 10.0 110.71 179.439 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 511' ' ' VAL . . . . . 0.462 ' O ' ' HG3' ' D' ' 515' ' ' ARG . 91.0 t -63.73 -45.26 97.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.68 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 512' ' ' ASP . . . . . 0.624 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 21.5 t70 -64.08 -32.97 74.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.002 0.43 . . . . 10.0 110.235 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -68.45 -45.13 73.34 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 108.519 -0.919 . . . . 10.0 108.519 177.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 514' ' ' LEU . . . . . 0.781 ' HA ' ' HB2' ' D' ' 517' ' ' HIS . 86.9 mt -60.55 -27.19 67.47 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.787 -0.642 . . . . 10.0 110.952 179.324 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 515' ' ' ARG . . . . . 0.624 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 84.4 mtt180 -65.3 -28.81 69.58 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.404 0.621 . . . . 10.0 109.546 178.515 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.6 12.97 24.08 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.668 -0.696 . . . . 10.0 109.578 179.095 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 517' ' ' HIS . . . . . 0.781 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 16.3 m170 -119.58 -67.02 1.01 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.697 -0.683 . . . . 10.0 111.042 -179.577 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 67.3 mt -73.85 -45.43 51.16 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.789 -0.642 . . . . 10.0 112.144 -178.744 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 519' ' ' ALA . . . . . 0.65 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -54.12 -56.07 29.93 Favored Pre-proline 0 CA--C 1.537 0.476 0 N-CA-C 112.6 0.592 . . . . 10.0 112.6 -179.504 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 520' ' ' PRO . . . . . 0.65 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 36.1 Cg_exo -64.84 -37.95 32.44 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.032 1.821 . . . . 10.0 111.581 178.806 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -64.77 -40.2 94.87 Favored 'General case' 0 C--O 1.225 -0.209 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.982 -179.333 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 1.8 p -65.74 -31.67 72.8 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.535 -0.466 . . . . 10.0 109.766 179.324 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.08 -43.3 74.83 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.078 -0.712 . . . . 10.0 109.078 178.483 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -67.64 -36.05 80.04 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 109.084 -0.71 . . . . 10.0 109.084 178.213 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 525' ' ' LEU . . . . . 0.42 ' HA ' HD23 ' D' ' 525' ' ' LEU . 8.0 mt -61.62 -41.43 97.46 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-N 115.537 -0.756 . . . . 10.0 109.348 178.047 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 526' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' D' ' 526' ' ' ARG . 56.3 mtt180 -61.91 -37.44 84.63 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 115.926 -0.579 . . . . 10.0 109.99 178.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -62.28 -35.57 79.41 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.191 0.52 . . . . 10.0 109.687 178.555 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 528' ' ' ARG . . . . . 0.606 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 79.9 mtt180 -78.33 -43.27 28.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.642 -0.708 . . . . 10.0 109.265 178.658 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 75.0 mt -60.81 -38.5 85.6 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.491 -0.777 . . . . 10.0 111.089 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -61.3 -36.23 79.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.976 0.417 . . . . 10.0 110.232 178.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -74.81 -42.68 57.61 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.603 -0.726 . . . . 10.0 109.203 178.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -61.04 -45.57 94.23 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-N 115.709 -0.678 . . . . 10.0 109.174 178.685 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 84.9 mt -65.3 -36.06 82.93 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 115.812 -0.631 . . . . 10.0 110.213 178.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 534' ' ' GLU . . . . . 0.524 ' HA ' ' HE3' ' D' ' 537' ' ' LYS . 22.7 tt0 -64.85 -40.77 95.69 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 108.926 -0.768 . . . . 10.0 108.926 178.643 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 535' ' ' ALA . . . . . 0.472 ' O ' ' HB2' ' D' ' 539' ' ' ASN . . . -63.84 -38.36 90.79 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.776 -0.824 . . . . 10.0 108.776 177.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 81.0 mt -71.21 -21.72 62.1 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.501 -0.772 . . . . 10.0 110.869 179.094 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 537' ' ' LYS . . . . . 0.524 ' HE3' ' HA ' ' D' ' 534' ' ' GLU . 45.0 mtmt -82.01 -45.76 14.88 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.937 -0.764 . . . . 10.0 108.937 178.089 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -64.16 -45.66 87.44 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.591 -0.731 . . . . 10.0 109.096 178.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 539' ' ' ASN . . . . . 0.472 ' HB2' ' O ' ' D' ' 535' ' ' ALA . 1.9 m-20 -71.83 -33.22 68.31 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-N 115.345 -0.843 . . . . 10.0 109.291 178.72 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -64.19 -51.52 52.11 Favored Glycine 0 N--CA 1.446 -0.679 0 N-CA-C 111.045 -0.822 . . . . 10.0 111.045 179.258 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -59.29 -41.6 96.92 Favored Glycine 0 N--CA 1.452 -0.292 0 N-CA-C 111.254 -0.738 . . . . 10.0 111.254 179.027 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -66.24 -52.0 52.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.548 0.213 . . . . 10.0 110.623 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 543' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' D' ' 543' ' ' ARG . 55.8 mtt180 -60.84 -33.17 72.64 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.432 -0.349 . . . . 10.0 111.332 179.67 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 20.9 mt -66.09 -44.04 85.55 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.197 -0.668 . . . . 10.0 109.197 177.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -63.27 -39.7 95.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.768 -0.651 . . . . 10.0 109.419 178.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 -65.85 -43.1 89.46 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 115.667 -0.697 . . . . 10.0 109.292 178.278 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -63.01 -36.35 83.25 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.821 -0.627 . . . . 10.0 110.447 179.177 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 26.3 m-70 -69.35 -43.34 73.84 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.573 -0.528 . . . . 10.0 109.573 178.326 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -63.6 -46.88 83.77 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.902 -0.59 . . . . 10.0 109.695 178.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 550' ' ' LYS . . . . . 0.452 ' HD3' HG22 ' A' ' 224' ' ' VAL . 0.0 OUTLIER -63.0 -35.74 81.23 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.462 -0.79 . . . . 10.0 109.818 179.063 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -59.68 -46.71 88.25 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 109.622 -0.51 . . . . 10.0 109.622 178.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.5 -45.99 77.74 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 116.253 -0.43 . . . . 10.0 110.399 178.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -58.63 -49.99 75.48 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 116.399 -0.364 . . . . 10.0 110.574 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 23.5 t60 -63.29 -38.33 90.73 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.868 -0.606 . . . . 10.0 109.798 179.126 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 25.6 tp -63.34 -43.92 96.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 10.0 111.002 179.682 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.15 -41.68 97.19 Favored 'General case' 0 C--N 1.333 -0.119 0 C-N-CA 121.107 -0.237 . . . . 10.0 110.97 179.316 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -72.44 -30.07 64.26 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 120.767 0.318 . . . . 10.0 110.313 179.263 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 558' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' D' ' 558' ' ' LEU . 19.4 mt -62.36 -48.41 79.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.453 . . . . 10.0 110.06 178.582 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.03 -35.1 74.07 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 109.335 -0.617 . . . . 10.0 109.335 178.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -64.11 -27.51 69.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.32 -0.855 . . . . 10.0 109.922 179.036 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.49 18.57 20.22 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.334 179.193 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -119.96 -46.44 2.43 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 115.862 -0.608 . . . . 10.0 110.693 179.068 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 563' ' ' LYS . . . . . 0.417 ' HB2' ' HD3' ' D' ' 564' ' ' PRO . 94.8 mttt -58.69 -62.99 4.62 Favored Pre-proline 0 C--N 1.331 -0.212 0 N-CA-C 111.853 0.316 . . . . 10.0 111.853 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 564' ' ' PRO . . . . . 0.417 ' HD3' ' HB2' ' D' ' 563' ' ' LYS . 44.6 Cg_endo -67.71 -29.46 35.85 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 121.52 1.48 . . . . 10.0 111.316 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -66.77 -56.0 12.47 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.357 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 75.1 mt -60.25 -39.7 87.69 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-O 120.755 0.312 . . . . 10.0 110.219 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -60.69 -55.62 31.08 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.145 -0.479 . . . . 10.0 110.458 178.786 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -62.18 -42.71 99.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.401 -0.363 . . . . 10.0 110.987 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 76.1 mt -58.7 -45.57 89.22 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.576 -0.283 . . . . 10.0 110.793 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 570' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' D' ' 570' ' ' ARG . 64.0 mtt180 -69.54 -39.25 77.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.422 -0.353 . . . . 10.0 110.29 179.449 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -63.47 -22.78 67.08 Favored 'General case' 0 CA--C 1.521 -0.152 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.023 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -95.94 -30.76 7.72 Favored Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 110.849 -0.9 . . . . 10.0 110.849 178.624 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 573' ' ' LEU . . . . . 0.466 ' O ' ' HG ' ' D' ' 577' ' ' LEU . 14.2 mt -67.68 -47.28 69.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.59 -0.305 . . . . 10.0 111.277 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 574' ' ' LEU . . . . . 0.457 ' O ' ' HG2' ' D' ' 578' ' ' GLU . 91.1 mt -50.31 -59.44 7.14 Favored Pre-proline 0 CA--C 1.537 0.463 0 N-CA-C 112.987 0.736 . . . . 10.0 112.987 -179.375 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -66.4 -37.01 24.88 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 121.794 1.663 . . . . 10.0 112.175 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 576' ' ' VAL . . . . . 0.432 HG12 ' HA ' ' D' ' 573' ' ' LEU . 0.4 OUTLIER -65.61 -36.43 77.59 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 CA-C-O 120.76 0.314 . . . . 10.0 110.743 -179.843 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 577' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' D' ' 573' ' ' LEU . 61.2 mt -65.16 -42.34 93.85 Favored 'General case' 0 CA--C 1.517 -0.295 0 N-CA-C 109.102 -0.703 . . . . 10.0 109.102 178.714 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 578' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' D' ' 574' ' ' LEU . 36.7 mm-40 -66.25 -38.44 87.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.736 -0.666 . . . . 10.0 109.731 179.14 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 20.1 m -66.09 -44.65 83.78 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.341 -0.615 . . . . 10.0 109.341 178.548 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -62.79 -32.72 73.94 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 115.898 -0.592 . . . . 10.0 109.682 178.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 581' ' ' LYS . . . . . 0.407 ' O ' ' HG ' ' D' ' 585' ' ' LEU . 82.1 mttt -61.13 -48.19 82.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.005 178.829 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 582' ' ' VAL . . . . . 0.405 HG23 ' O ' ' D' ' 578' ' ' GLU . 40.8 t -59.44 -45.35 93.7 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.354 179.587 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 4.7 m -65.88 -40.19 91.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.507 179.118 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.61 -48.75 71.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.043 179.491 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 585' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' D' ' 581' ' ' LYS . 97.4 mt -56.59 -52.24 65.57 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.624 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 12.2 p -64.16 -33.36 75.6 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 116.377 -0.374 . . . . 10.0 111.065 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 587' ' ' ALA . . . . . 0.447 ' HB2' ' HG2' ' A' ' 396' ' ' LYS . . . -66.52 -58.79 4.49 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.158 -0.312 . . . . 10.0 110.158 179.074 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 63.3 mt -58.79 -42.81 89.93 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.016 -0.538 . . . . 10.0 111.667 -178.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -63.06 -46.92 85.22 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.438 -0.347 . . . . 10.0 110.865 -179.57 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -69.25 -33.45 73.28 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.855 -0.338 . . . . 10.0 111.708 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 591' ' ' TYR . . . . . 0.66 ' HE1' ' HB3' ' A' ' 392' ' ' GLU . 16.0 m-30 -64.8 -38.12 89.91 Favored 'General case' 0 N--CA 1.462 0.173 0 N-CA-C 109.559 -0.534 . . . . 10.0 109.559 178.858 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 35.7 m -59.84 -36.05 76.02 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.369 179.258 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -66.09 -31.32 72.12 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.957 0.408 . . . . 10.0 110.969 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -82.39 -38.71 23.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.967 -0.56 . . . . 10.0 110.51 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 90.8 mt -74.26 -20.02 60.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.811 -0.631 . . . . 10.0 111.629 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 . . . . . 0 C--N 1.325 -0.499 0 CA-C-N 116.12 -0.491 . . . . 10.0 111.173 179.873 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.451 -0.383 0 CA-C-O 120.902 0.382 . . . . 10.0 110.735 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 6.9 m -98.8 141.11 32.01 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.077 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -95.33 140.92 29.52 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.48 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -129.05 114.33 16.26 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.057 -0.52 . . . . 10.0 109.861 179.52 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.457 ' HA ' ' HB3' ' B' ' 54' ' ' ASP . 40.7 mttm -81.96 112.72 19.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.047 -179.639 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.432 ' HA ' ' O ' ' B' ' 77' ' ' GLY . 24.6 mt -119.65 111.75 18.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.69 -179.099 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 22.3 t -95.79 130.86 43.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.849 -0.614 . . . . 10.0 110.495 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.526 HG13 HD23 ' B' ' 79' ' ' LEU . 9.9 t -93.04 111.09 24.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.014 -0.539 . . . . 10.0 109.629 179.742 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 19.7 m -111.69 158.32 12.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.191 -0.459 . . . . 10.0 111.503 -179.305 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' GLY . . . . . 0.482 ' O ' ' HA3' ' B' ' 60' ' ' GLY . . . 142.85 166.66 11.16 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 121.027 -0.606 . . . . 10.0 111.681 -179.702 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.29 170.31 3.05 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.997 0.427 . . . . 10.0 110.929 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.55 140.88 29.47 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.101 0.476 . . . . 10.0 111.493 -179.499 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.59 8.5 67.75 Favored Glycine 0 N--CA 1.452 -0.27 0 CA-C-N 115.773 -0.648 . . . . 10.0 113.675 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 32.7 m -87.62 -18.29 8.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 112.655 0.613 . . . . 10.0 112.655 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 110.1 22.29 6.61 Favored Glycine 0 CA--C 1.518 0.271 0 C-N-CA 120.457 -0.877 . . . . 10.0 113.527 179.052 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' LYS . . . . . 0.4 ' HD2' HG12 ' B' ' 8' ' ' VAL . 15.2 mtmm -62.16 -42.27 99.11 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.116 0.484 . . . . 10.0 110.764 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 20.8 m -79.45 -34.43 41.54 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.997 -179.261 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.71 -49.79 74.11 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.686 -0.487 . . . . 10.0 109.686 178.515 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 13.9 mt -60.02 -44.59 94.5 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.092 -0.504 . . . . 10.0 111.262 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 18.5 m -62.96 -45.46 92.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 10.0 111.574 -179.59 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' ILE . . . . . 0.557 HD12 HG21 ' B' ' 29' ' ' VAL . 88.5 mt -68.13 -34.38 66.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.504 -0.317 . . . . 10.0 111.11 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 22' ' ' GLN . . . . . 0.622 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 12.6 mm-40 -69.83 -19.27 63.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.883 0.373 . . . . 10.0 110.299 178.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 20.5 tp -90.21 -36.89 14.5 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.04 -0.527 . . . . 10.0 111.515 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 34.6 mm -87.35 -60.04 2.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.97 0.414 . . . . 10.0 111.851 -179.152 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -89.53 -20.31 23.96 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.377 -0.374 . . . . 10.0 111.527 -179.037 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' ASN . . . . . 0.622 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 32.1 m-80 69.06 38.39 1.98 Allowed 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 113.155 0.798 . . . . 10.0 113.155 178.594 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -142.81 153.19 42.99 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.747 -0.381 . . . . 10.0 111.593 179.015 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -87.0 137.66 32.16 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.882 0.372 . . . . 10.0 111.274 -179.455 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.557 HG21 HD12 ' B' ' 21' ' ' ILE . 0.6 OUTLIER -110.58 103.69 15.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.822 -0.626 . . . . 10.0 110.929 179.258 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -69.75 -25.43 63.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.81 -0.632 . . . . 10.0 109.698 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.472 ' H ' ' HG2' ' B' ' 31' ' ' GLU . 1.3 mm-40 -78.35 129.23 34.74 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.032 -0.986 . . . . 10.0 110.7 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -85.22 127.79 34.43 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.493 -0.321 . . . . 10.0 110.169 179.523 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -122.41 108.9 33.33 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.274 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -68.83 82.81 0.56 Allowed 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 123.212 2.608 . . . . 10.0 111.372 179.477 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -88.72 119.0 28.8 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.6 -0.727 . . . . 10.0 110.776 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.568 ' HA ' ' HB2' ' B' ' 59' ' ' ALA . 25.5 mm -73.09 -45.01 55.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.339 -179.589 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 37' ' ' GLU . . . . . 0.458 ' HG2' HD11 ' B' ' 56' ' ' LEU . 2.5 tt0 -163.84 102.9 0.9 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.367 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -126.88 132.48 50.92 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.494 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.7 p -106.95 148.61 28.44 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.677 0.621 . . . . 10.0 112.677 -178.586 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -133.26 139.6 47.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.704 -0.68 . . . . 10.0 109.877 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -120.92 132.5 54.99 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.609 0.243 . . . . 10.0 110.875 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 73.0 tttt -154.21 137.97 16.16 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.244 -0.435 . . . . 10.0 110.347 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -112.47 118.9 36.43 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.31 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 19.4 m -128.18 176.85 6.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.292 -0.413 . . . . 10.0 111.446 -179.47 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 84.7 t -105.05 114.11 43.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.255 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 48.0 mt -123.79 125.14 70.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.551 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' ASP . . . . . 0.452 ' HA ' ' HB2' ' C' ' 128' ' ' LYS . 13.5 m-20 64.37 17.15 10.61 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.514 -0.766 . . . . 10.0 111.687 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.93 -0.63 62.68 Favored Glycine 0 C--N 1.334 0.439 0 C-N-CA 121.028 -0.606 . . . . 10.0 112.292 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -117.37 136.16 53.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 122.739 -0.271 . . . . 10.0 110.727 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.08 125.29 26.9 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.339 -0.986 . . . . 10.0 108.339 178.697 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 7.6 m -123.84 134.49 53.58 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.929 0.395 . . . . 10.0 111.793 -178.458 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 39.4 tp -93.21 109.81 21.32 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.508 -0.923 . . . . 10.0 108.508 178.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' LEU . . . . . 0.622 HD13 ' HE1' ' B' ' 156' ' ' PHE . 35.3 mt -91.72 123.46 35.13 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 112.666 0.617 . . . . 10.0 112.666 -178.093 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 54' ' ' ASP . . . . . 0.457 ' HB3' ' HA ' ' B' ' 5' ' ' LYS . 20.8 t0 -107.02 86.2 2.27 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.284 -1.006 . . . . 10.0 108.284 178.412 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 9.3 mt -84.9 143.37 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.665 -0.698 . . . . 10.0 111.727 -177.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.458 HD11 ' HG2' ' B' ' 37' ' ' GLU . 46.2 tp -136.5 111.65 9.02 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.354 -0.385 . . . . 10.0 111.333 179.479 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -92.55 114.25 26.75 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.83 -0.804 . . . . 10.0 108.83 179.347 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 3.4 p -114.8 151.62 33.51 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.84 0.352 . . . . 10.0 111.923 -178.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' ALA . . . . . 0.568 ' HB2' ' HA ' ' B' ' 36' ' ' ILE . . . -70.95 132.34 45.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.143 0.497 . . . . 10.0 111.382 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 60' ' ' GLY . . . . . 0.482 ' HA3' ' O ' ' B' ' 10' ' ' GLY . . . -105.56 36.28 4.5 Favored Glycine 0 N--CA 1.447 -0.58 0 N-CA-C 110.932 -0.867 . . . . 10.0 110.932 179.557 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -89.44 8.22 31.97 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.696 0.284 . . . . 10.0 110.94 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 69.19 -169.12 0.18 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.765 -0.652 . . . . 10.0 112.412 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 78.43 -23.89 0.23 Allowed 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 123.435 0.694 . . . . 10.0 111.722 -179.382 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 64' ' ' TYR . . . . . 0.592 ' HB3' ' HB3' ' B' ' 67' ' ' MET . 11.3 m-85 -84.04 47.13 1.27 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.533 -0.303 . . . . 10.0 111.007 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -57.88 -45.71 85.95 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.45 -0.341 . . . . 10.0 111.804 -179.333 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.59 -34.95 19.72 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.247 0.546 . . . . 10.0 111.416 -179.301 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 67' ' ' MET . . . . . 0.592 ' HB3' ' HB3' ' B' ' 64' ' ' TYR . 19.7 ttt -64.26 -37.43 87.46 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.793 -0.64 . . . . 10.0 111.437 -179.682 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 68' ' ' ARG . . . . . 0.684 ' HA ' ' CZ ' ' B' ' 71' ' ' TYR . 12.0 ttp180 -59.09 -40.23 84.61 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.025 -0.534 . . . . 10.0 112.398 -179.273 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -55.76 -40.69 72.93 Favored 'General case' 0 C--O 1.225 -0.218 0 N-CA-C 112.544 0.572 . . . . 10.0 112.544 -178.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -58.66 -57.08 14.57 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.501 0.926 . . . . 10.0 113.501 -177.487 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 71' ' ' TYR . . . . . 0.684 ' CZ ' ' HA ' ' B' ' 68' ' ' ARG . 25.3 p90 -72.32 -24.11 61.26 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.296 -0.561 . . . . 10.0 112.25 -179.157 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 72' ' ' MET . . . . . 0.49 ' SD ' ' HG2' ' B' ' 99' ' ' GLN . 29.5 mtt -70.97 -36.21 72.45 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.234 0.54 . . . . 10.0 110.146 178.405 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 45.2 ttm105 -70.61 -39.8 73.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.813 -0.63 . . . . 10.0 110.349 179.01 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 4.4 m -73.99 -27.48 60.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.77 -0.65 . . . . 10.0 111.708 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -75.94 158.98 50.34 Favored Glycine 0 CA--C 1.52 0.361 0 C-N-CA 120.888 -0.672 . . . . 10.0 113.597 -179.061 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -114.71 -54.48 2.57 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.296 -0.631 . . . . 10.0 109.296 179.635 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 77' ' ' GLY . . . . . 0.432 ' O ' ' HA ' ' B' ' 6' ' ' LEU . . . -106.73 139.75 14.99 Favored Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 110.174 -1.17 . . . . 10.0 110.174 178.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 78' ' ' PHE . . . . . 0.592 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 96.9 m-85 -116.57 130.1 56.55 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.246 0.546 . . . . 10.0 112.389 -178.521 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.526 HD23 HG13 ' B' ' 8' ' ' VAL . 13.2 tp -98.86 91.23 4.97 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.424 -0.807 . . . . 10.0 109.572 179.689 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 35.1 m -84.01 95.76 8.66 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.097 0.475 . . . . 10.0 110.412 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 25.4 t -98.77 131.87 45.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.465 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 82' ' ' PHE . . . . . 0.541 ' HB3' HD11 ' B' ' 93' ' ' ILE . 33.7 p90 -133.1 160.37 37.38 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.146 -0.479 . . . . 10.0 109.815 178.752 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.445 ' HB3' ' HB3' ' B' ' 86' ' ' ASN . . . -101.86 126.57 48.77 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.67 -0.493 . . . . 10.0 109.67 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 33.2 pt -65.38 -11.04 11.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 112.333 0.494 . . . . 10.0 112.333 -179.272 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -103.82 -5.08 22.75 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.765 0.317 . . . . 10.0 111.01 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.445 ' HB3' ' HB3' ' B' ' 83' ' ' ALA . 24.4 t-20 -120.2 105.71 11.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.602 -179.142 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 27.5 m -61.13 -38.5 86.6 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.47 0.545 . . . . 10.0 112.47 -179.178 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -56.68 -44.54 81.52 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.062 0.393 . . . . 10.0 112.062 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 93.3 p -64.51 -29.88 70.91 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.694 0.283 . . . . 10.0 111.426 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -76.04 -34.4 59.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.05 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -71.91 -40.76 68.58 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.978 -0.555 . . . . 10.0 110.624 179.497 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.14 -21.55 59.52 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.48 -0.782 . . . . 10.0 112.617 -179.129 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 93' ' ' ILE . . . . . 0.541 HD11 ' HB3' ' B' ' 82' ' ' PHE . 49.5 mm -54.79 -50.71 58.74 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-O 120.777 0.322 . . . . 10.0 111.284 -179.684 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -63.85 -35.4 80.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 10.0 110.794 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 51.4 m80 -63.36 -41.5 98.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.484 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 96' ' ' TYR . . . . . 0.411 ' HE2' ' HA2' ' B' ' 10' ' ' GLY . 22.8 m-85 -68.67 -45.48 71.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.132 -0.486 . . . . 10.0 110.897 179.528 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 97' ' ' ARG . . . . . 0.459 ' HD3' ' HE2' ' B' ' 101' ' ' LYS . 2.1 tmt_? -54.14 -44.1 71.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.008 -0.542 . . . . 10.0 111.408 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -67.45 -36.75 81.8 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.358 -0.383 . . . . 10.0 111.951 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 99' ' ' GLN . . . . . 0.534 ' O ' HG23 ' B' ' 103' ' ' VAL . 27.2 tt0 -69.84 -48.64 58.14 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 110.267 -0.272 . . . . 10.0 110.267 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 83.9 mt -54.03 -49.54 60.01 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 O-C-N 123.547 0.529 . . . . 10.0 111.18 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 101' ' ' LYS . . . . . 0.475 ' HB2' ' HE3' ' B' ' 101' ' ' LYS . 26.5 mtmt -64.59 -23.72 67.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.665 -0.698 . . . . 10.0 111.945 -179.481 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 9.2 tmm_? -81.6 -41.58 21.32 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.306 -0.406 . . . . 10.0 111.374 -179.517 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 103' ' ' VAL . . . . . 0.534 HG23 ' O ' ' B' ' 99' ' ' GLN . 25.8 t -63.34 -53.4 46.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.27 -0.423 . . . . 10.0 111.93 -179.205 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -83.46 -8.66 59.33 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.497 -0.319 . . . . 10.0 111.843 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 38.7 t70 54.02 70.44 0.6 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.915 -0.584 . . . . 10.0 111.657 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 17.6 t -166.08 153.15 9.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.639 -0.71 . . . . 10.0 109.558 179.691 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 22.3 tp10 -100.52 -5.53 26.78 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.262 0.553 . . . . 10.0 109.646 179.514 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -112.73 95.04 5.2 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.803 -0.635 . . . . 10.0 111.23 -179.576 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 109' ' ' VAL . . . . . 0.405 ' HA ' ' HD3' ' B' ' 110' ' ' PRO . 23.3 t -128.29 126.84 23.7 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 109.398 -0.593 . . . . 10.0 109.398 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 110' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 26.9 Cg_exo -64.39 109.24 1.15 Allowed 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 123.117 2.545 . . . . 10.0 111.722 179.386 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 111' ' ' MET . . . . . 0.592 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 52.3 mtm -141.7 159.96 41.15 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.066 -0.515 . . . . 10.0 111.111 -179.376 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 98.8 t -138.86 147.84 24.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 108.662 -0.866 . . . . 10.0 108.662 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 17.0 tp -94.9 113.93 25.71 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.533 -0.543 . . . . 10.0 109.533 179.287 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 37.6 t -105.83 110.09 30.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.326 0.584 . . . . 10.0 112.569 -178.331 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -101.27 103.98 2.65 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 109.984 -1.247 . . . . 10.0 109.984 178.296 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -96.78 170.26 9.3 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.927 0.363 . . . . 10.0 111.624 -178.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 117' ' ' LYS . . . . . 0.799 ' HB3' HD12 ' B' ' 120' ' ' LEU . 96.0 mttt 67.88 27.99 7.12 Favored 'General case' 0 N--CA 1.463 0.188 0 O-C-N 123.645 0.59 . . . . 10.0 111.554 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 86.0 m -71.79 -9.89 58.96 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 112.611 0.597 . . . . 10.0 112.611 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -90.35 -3.2 57.89 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.79 0.329 . . . . 10.0 110.563 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 120' ' ' LEU . . . . . 0.799 HD12 ' HB3' ' B' ' 117' ' ' LYS . 64.8 mt -89.18 142.2 29.81 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 10.0 111.079 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -72.52 163.89 37.22 Favored 'Trans proline' 0 C--O 1.237 0.446 0 C-N-CA 122.544 2.163 . . . . 10.0 112.17 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 51.7 m 55.77 78.66 0.19 Allowed 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 115.598 -0.728 . . . . 10.0 111.667 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -92.6 134.29 35.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.519 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -85.76 -41.22 15.28 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.212 179.524 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 62.0 t -92.25 126.06 44.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.148 0.499 . . . . 10.0 109.97 178.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 126' ' ' ASP . . . . . 0.556 ' OD1' ' HD3' ' B' ' 128' ' ' LYS . 6.8 t0 -89.57 145.56 25.19 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.539 -0.755 . . . . 10.0 110.498 -179.7 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 127' ' ' THR . . . . . 0.651 HG23 ' HE2' ' B' ' 141' ' ' PHE . 5.3 m -59.05 -34.22 71.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.054 0.454 . . . . 10.0 110.962 179.702 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 128' ' ' LYS . . . . . 0.977 ' HB3' ' HA ' ' C' ' 47' ' ' ASP . 7.2 mtpt -61.78 -57.7 10.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.474 -0.785 . . . . 10.0 110.982 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 129' ' ' GLN . . . . . 0.492 ' HG2' ' HB3' ' B' ' 126' ' ' ASP . 4.4 pt20 -62.02 -34.88 77.02 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.934 -0.306 . . . . 10.0 111.71 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.2 -46.97 72.28 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.097 0.475 . . . . 10.0 110.709 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 131' ' ' GLN . . . . . 0.404 ' HG2' ' HD2' ' B' ' 141' ' ' PHE . 0.0 OUTLIER -68.34 -36.11 78.76 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.088 -0.506 . . . . 10.0 111.155 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -67.51 -33.82 75.86 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.072 0.463 . . . . 10.0 109.853 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 26.9 tp -72.04 -42.66 66.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.813 -0.631 . . . . 10.0 109.362 178.226 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.87 -31.34 72.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.956 -0.565 . . . . 10.0 109.868 178.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -63.55 -36.21 83.04 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.69 -0.687 . . . . 10.0 110.101 178.702 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.2 -39.95 86.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.585 -0.734 . . . . 10.0 110.605 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 137' ' ' TYR . . . . . 0.452 ' HB2' HG12 ' B' ' 139' ' ' ILE . 22.5 m-85 -76.37 -32.76 58.78 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.392 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 91.99 31.66 9.05 Favored Glycine 0 N--CA 1.447 -0.578 0 N-CA-C 110.712 -0.955 . . . . 10.0 110.712 -179.156 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 139' ' ' ILE . . . . . 0.452 HG12 ' HB2' ' B' ' 137' ' ' TYR . 46.5 pt -120.82 159.08 50.28 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.14 -0.53 . . . . 10.0 110.494 -178.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -82.46 158.31 16.92 Favored 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 122.95 2.433 . . . . 10.0 111.852 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 141' ' ' PHE . . . . . 0.651 ' HE2' HG23 ' B' ' 127' ' ' THR . 60.3 t80 -137.15 129.59 29.86 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.196 -0.456 . . . . 10.0 110.716 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 142' ' ' ILE . . . . . 0.529 HD13 ' HA ' ' B' ' 155' ' ' ALA . 3.3 mp -131.96 129.98 60.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.369 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -73.78 114.07 11.64 Favored 'General case' 0 C--N 1.333 -0.131 0 N-CA-C 108.485 -0.931 . . . . 10.0 108.485 178.332 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 6.3 p -111.13 155.4 22.91 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 114.053 1.131 . . . . 10.0 114.053 -177.281 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 145' ' ' SER . . . . . 0.484 ' HB3' ' HB3' ' B' ' 150' ' ' GLN . 16.2 t -149.04 98.56 2.85 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 106.993 -1.484 . . . . 10.0 106.993 177.739 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -59.54 -35.18 73.72 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.015 0.436 . . . . 10.0 111.589 -179.035 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -58.28 -43.29 87.94 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.668 -0.696 . . . . 10.0 111.391 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.83 5.44 43.45 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.358 -0.383 . . . . 10.0 112.032 -178.537 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 149' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' B' ' 149' ' ' ARG . 5.7 tpt180 57.29 29.57 17.01 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 121.74 0.781 . . . . 10.0 110.316 -179.009 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 150' ' ' GLN . . . . . 0.484 ' HB3' ' HB3' ' B' ' 145' ' ' SER . 50.7 tt0 -89.04 120.69 30.67 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.406 -0.815 . . . . 10.0 111.348 -178.731 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 76.03 -9.56 18.16 Favored Glycine 0 C--N 1.332 0.341 0 CA-C-N 115.545 -0.752 . . . . 10.0 113.549 178.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 97.0 t -55.22 -41.22 59.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 112.123 0.416 . . . . 10.0 112.123 -179.092 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -71.43 -57.45 4.42 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 112.029 0.381 . . . . 10.0 112.029 -179.106 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -56.92 -42.07 79.32 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.619 0.6 . . . . 10.0 112.619 -178.702 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 155' ' ' ALA . . . . . 0.529 ' HA ' HD13 ' B' ' 142' ' ' ILE . . . -57.5 -53.62 56.09 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 120.922 0.391 . . . . 10.0 112.008 -179.5 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 156' ' ' PHE . . . . . 0.622 ' HE1' HD13 ' B' ' 53' ' ' LEU . 0.8 OUTLIER -66.08 -38.87 89.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.431 -0.35 . . . . 10.0 111.059 -179.479 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -61.3 -48.8 79.73 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.975 -0.557 . . . . 10.0 111.479 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 25.4 m -61.28 -35.35 77.09 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.055 0.391 . . . . 10.0 112.055 -179.57 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 56.8 tp -60.02 -44.56 94.53 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.742 0.306 . . . . 10.0 111.284 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 21.7 t -67.89 -36.11 74.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.019 0.437 . . . . 10.0 110.246 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 161' ' ' ARG . . . . . 0.625 ' HB3' ' HG3' ' C' ' 135' ' ' ARG . 85.2 mtm-85 -64.42 -32.6 74.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.777 -0.647 . . . . 10.0 111.388 179.521 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -61.88 -38.35 87.99 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.959 -0.385 . . . . 10.0 109.959 178.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 73.5 mt -67.89 -45.46 83.97 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.107 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 3.3 mtt85 -64.58 -44.25 91.29 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.709 179.522 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 8.8 ttmt . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 115.654 -0.703 . . . . 10.0 110.813 179.805 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 C--O 1.233 0.209 0 CA-C-O 120.907 0.384 . . . . 10.0 110.517 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 7.3 m -105.82 138.89 41.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.727 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -92.72 127.19 38.13 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.277 -0.638 . . . . 10.0 109.277 179.588 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -118.38 119.84 35.81 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.643 -0.503 . . . . 10.0 109.643 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -86.86 121.08 28.85 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.742 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 6' ' ' LEU . . . . . 0.677 HD11 ' HB3' ' C' ' 53' ' ' LEU . 0.1 OUTLIER -123.93 122.96 39.34 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.413 -0.358 . . . . 10.0 111.332 -178.592 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 48.5 t -110.22 129.66 64.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 110.09 -0.337 . . . . 10.0 110.09 179.197 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 1.3 t -95.89 107.83 20.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.787 0.327 . . . . 10.0 110.539 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 21.4 m -106.03 146.54 12.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.81 0.338 . . . . 10.0 111.333 -179.418 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 159.58 173.67 28.35 Favored Glycine 0 N--CA 1.442 -0.905 0 N-CA-C 111.378 -0.689 . . . . 10.0 111.378 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.21 -176.05 5.38 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.201 0.524 . . . . 10.0 111.633 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.9 146.46 26.71 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.239 -0.437 . . . . 10.0 110.577 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 81.68 5.0 90.21 Favored Glycine 0 CA--C 1.521 0.414 0 C-N-CA 121.108 -0.568 . . . . 10.0 113.613 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 14' ' ' VAL . . . . . 0.492 ' CG2' ' HG3' ' C' ' 16' ' ' LYS . 27.7 m -77.45 -42.95 30.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 117.261 0.53 . . . . 10.0 112.204 179.759 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 15' ' ' GLY . . . . . 0.412 ' HA3' ' ND2' ' C' ' 116' ' ' ASN . . . 126.47 11.63 3.66 Favored Glycine 0 C--N 1.333 0.381 0 C-N-CA 120.407 -0.902 . . . . 10.0 114.201 178.723 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 16' ' ' LYS . . . . . 0.492 ' HG3' ' CG2' ' C' ' 14' ' ' VAL . 7.2 mtmt -54.85 -39.98 69.16 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.34 0.496 . . . . 10.0 112.34 -179.54 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 51.1 m -72.64 -48.03 42.75 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 110.151 -0.314 . . . . 10.0 110.151 -179.672 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.24 -44.16 88.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.953 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 45.5 mt -62.93 -39.18 93.81 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.534 179.435 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 49.3 m -69.32 -47.95 62.92 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.893 -0.594 . . . . 10.0 110.726 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 78.1 mt -61.08 -37.95 78.52 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 CA-C-O 120.886 0.374 . . . . 10.0 110.398 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 22' ' ' GLN . . . . . 0.527 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 1.0 OUTLIER -65.77 -40.1 91.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.29 -0.414 . . . . 10.0 110.908 179.325 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 23' ' ' LEU . . . . . 0.44 HD13 HG12 ' C' ' 152' ' ' VAL . 4.3 tp -81.74 -15.14 55.29 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 112.109 0.411 . . . . 10.0 112.109 -179.24 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 24' ' ' ILE . . . . . 0.443 HD11 HD12 ' C' ' 55' ' ' ILE . 25.8 mm -101.4 -58.03 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 112.372 0.508 . . . . 10.0 112.372 -179.355 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -97.39 -9.61 27.05 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.404 0.52 . . . . 10.0 112.404 -177.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 26' ' ' ASN . . . . . 0.527 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 67.9 m-20 69.63 44.13 0.92 Allowed 'General case' 0 C--O 1.234 0.285 0 N-CA-C 113.713 1.005 . . . . 10.0 113.713 178.425 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 9.0 p80 -157.05 148.19 21.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.889 0.376 . . . . 10.0 111.248 178.654 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -98.34 134.54 41.2 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.79 -0.641 . . . . 10.0 110.032 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 13.4 m -99.72 142.76 14.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.391 -0.368 . . . . 10.0 110.283 179.418 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -93.07 -24.84 18.17 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.094 0.473 . . . . 10.0 110.907 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -87.85 142.66 27.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.167 -0.47 . . . . 10.0 110.917 179.421 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -98.81 114.77 27.47 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.975 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 33' ' ' ASP . . . . . 0.409 ' HA ' ' HD3' ' C' ' 34' ' ' PRO . 8.9 t70 -104.0 119.58 53.89 Favored Pre-proline 0 C--N 1.32 -0.708 0 CA-C-N 115.571 -0.74 . . . . 10.0 110.134 178.771 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 34' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' C' ' 33' ' ' ASP . 31.4 Cg_exo -61.34 99.71 0.17 Allowed 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 123.398 2.732 . . . . 10.0 111.391 179.636 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.15 126.69 31.07 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.285 -0.87 . . . . 10.0 111.101 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 36' ' ' ILE . . . . . 0.506 ' HA ' ' HB2' ' C' ' 59' ' ' ALA . 49.8 mm -93.43 -44.47 13.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 108.559 -0.904 . . . . 10.0 108.559 178.334 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 37' ' ' GLU . . . . . 0.671 ' HG3' HG22 ' C' ' 58' ' ' THR . 8.6 tt0 176.67 99.58 0.02 OUTLIER 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.25 -0.886 . . . . 10.0 109.86 178.699 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -124.03 138.4 54.46 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.299 -0.41 . . . . 10.0 110.555 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 3.0 p -119.12 151.4 38.36 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.147 -0.479 . . . . 10.0 111.884 -179.255 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -144.2 139.77 28.91 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.626 -0.715 . . . . 10.0 110.417 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 41' ' ' ARG . . . . . 0.504 ' HA ' ' O ' ' C' ' 53' ' ' LEU . 1.6 mpp_? -111.93 129.69 56.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 10.0 111.085 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -141.4 138.55 33.05 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.989 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -106.44 125.61 51.22 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.824 -0.625 . . . . 10.0 110.105 179.688 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 2.5 m -138.35 162.84 29.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.591 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 42.2 t -96.98 93.79 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.061 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 46' ' ' ILE . . . . . 0.439 HG22 ' OD2' ' C' ' 47' ' ' ASP . 19.5 mt -93.3 107.75 19.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.951 -0.568 . . . . 10.0 111.108 -179.094 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 47' ' ' ASP . . . . . 0.977 ' HA ' ' HB3' ' B' ' 128' ' ' LYS . 1.5 m-20 61.23 23.63 13.83 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.124 -0.944 . . . . 10.0 112.051 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.05 -5.69 68.71 Favored Glycine 0 N--CA 1.451 -0.363 0 N-CA-C 111.068 -0.813 . . . . 10.0 111.068 -179.213 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -101.66 112.18 24.67 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.669 -0.493 . . . . 10.0 109.669 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.38 119.04 10.25 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.834 -0.432 . . . . 10.0 109.834 179.476 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 26.8 m -123.5 136.08 54.38 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 112.838 0.681 . . . . 10.0 112.838 -178.748 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 55.9 tp -98.44 108.92 21.73 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 106.97 -1.493 . . . . 10.0 106.97 177.625 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 53' ' ' LEU . . . . . 0.677 ' HB3' HD11 ' C' ' 6' ' ' LEU . 38.9 mt -91.07 128.84 37.05 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 113.96 1.096 . . . . 10.0 113.96 -177.213 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 59.2 t0 -109.56 88.97 2.87 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 107.453 -1.314 . . . . 10.0 107.453 177.585 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 55' ' ' ILE . . . . . 0.554 HG12 HD12 ' C' ' 6' ' ' LEU . 3.7 mt -85.94 141.83 13.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.417 -0.81 . . . . 10.0 111.079 -178.012 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 56' ' ' LEU . . . . . 0.611 HD11 ' HG2' ' C' ' 37' ' ' GLU . 39.5 tp -140.58 110.32 6.42 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.488 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -95.2 101.33 13.07 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 109.039 -0.726 . . . . 10.0 109.039 177.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 58' ' ' THR . . . . . 0.671 HG22 ' HG3' ' C' ' 37' ' ' GLU . 76.8 p -85.79 167.05 15.56 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.731 -0.668 . . . . 10.0 111.392 -178.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 59' ' ' ALA . . . . . 0.506 ' HB2' ' HA ' ' C' ' 36' ' ' ILE . . . -68.58 141.52 55.43 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.884 -0.598 . . . . 10.0 111.008 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -118.39 40.69 2.22 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.755 -0.736 . . . . 10.0 112.456 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 61' ' ' GLN . . . . . 0.437 ' HB2' ' OH ' ' C' ' 64' ' ' TYR . 78.2 mt-30 -104.59 7.68 35.14 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.811 0.338 . . . . 10.0 110.929 179.703 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 62' ' ' GLU . . . . . 0.495 ' HB3' ' H ' ' C' ' 63' ' ' GLU . 8.2 mm-40 58.19 -157.96 0.3 Allowed 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.778 -0.646 . . . . 10.0 112.343 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 63' ' ' GLU . . . . . 0.495 ' H ' ' HB3' ' C' ' 62' ' ' GLU . 3.6 tt0 77.25 -53.29 0.55 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.81 -0.632 . . . . 10.0 112.008 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 64' ' ' TYR . . . . . 0.437 ' OH ' ' HB2' ' C' ' 61' ' ' GLN . 0.2 OUTLIER -84.82 68.57 10.51 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.09 0.471 . . . . 10.0 112.079 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 9.2 m -67.71 -27.6 66.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.265 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -72.56 -28.45 62.83 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.938 -0.574 . . . . 10.0 111.075 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 23.6 ttt -72.52 -32.01 65.78 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.37 0.605 . . . . 10.0 110.614 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 68' ' ' ARG . . . . . 0.565 ' HA ' ' CE1' ' C' ' 71' ' ' TYR . 21.2 ttp180 -75.7 -32.12 59.96 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.013 -0.54 . . . . 10.0 111.451 -179.461 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -57.57 -29.17 64.21 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.084 -0.507 . . . . 10.0 112.291 -179.153 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -72.63 -59.95 2.47 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 113.516 0.932 . . . . 10.0 113.516 -178.696 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 71' ' ' TYR . . . . . 0.565 ' CE1' ' HA ' ' C' ' 68' ' ' ARG . 24.9 p90 -66.73 -14.42 62.53 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 113.636 0.976 . . . . 10.0 113.636 -178.471 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 26.6 mtt -69.88 -24.8 63.47 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.868 0.365 . . . . 10.0 110.851 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 46.8 mtt180 -80.04 -45.91 17.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.478 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -69.77 -44.11 70.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.532 -0.758 . . . . 10.0 111.757 -179.347 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.27 128.39 36.25 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 121.012 -0.613 . . . . 10.0 113.123 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -79.53 -58.74 3.05 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 109.677 -0.49 . . . . 10.0 109.677 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -112.47 159.77 13.52 Favored Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 111.222 -0.751 . . . . 10.0 111.222 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 78' ' ' PHE . . . . . 0.497 ' HE2' ' HD2' ' C' ' 104' ' ' LYS . 91.8 m-85 -131.68 136.54 47.76 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.819 0.343 . . . . 10.0 110.889 -179.241 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 79' ' ' LEU . . . . . 0.401 HD12 ' HB ' ' C' ' 112' ' ' VAL . 18.3 tp -104.76 116.35 31.88 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.228 -0.442 . . . . 10.0 109.832 179.336 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 80' ' ' CYS . . . . . 0.616 ' HB3' HD12 ' C' ' 93' ' ' ILE . 13.6 m -83.49 101.01 11.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.489 -0.323 . . . . 10.0 110.134 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 94.9 t -103.73 124.48 58.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.086 -0.506 . . . . 10.0 110.946 -179.602 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 26.6 p90 -138.47 158.95 43.28 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.717 -0.475 . . . . 10.0 109.717 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 83' ' ' ALA . . . . . 0.448 ' HB2' ' HA ' ' C' ' 14' ' ' VAL . . . -101.23 131.73 47.09 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.722 -0.473 . . . . 10.0 109.722 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 84' ' ' ILE . . . . . 0.54 HD12 ' HB3' ' C' ' 123' ' ' ARG . 38.1 pt -62.84 -19.62 23.65 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 N-CA-C 112.262 0.467 . . . . 10.0 112.262 -178.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 22.3 p-10 -94.79 3.65 54.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.256 0.55 . . . . 10.0 110.547 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 44.1 t-20 -124.95 95.58 4.55 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.879 -0.601 . . . . 10.0 110.237 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -36.78 84.71 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.043 -0.526 . . . . 10.0 111.836 -179.065 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -60.94 -41.39 96.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.217 -0.447 . . . . 10.0 111.177 -179.546 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 86.9 p -65.22 -24.66 67.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.915 0.388 . . . . 10.0 111.621 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -79.06 -38.38 36.59 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.11 -0.495 . . . . 10.0 110.168 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -71.85 -30.54 65.56 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.298 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -66.24 -21.42 66.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.601 -0.727 . . . . 10.0 111.501 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 93' ' ' ILE . . . . . 0.616 HD12 ' HB3' ' C' ' 80' ' ' CYS . 47.9 mm -56.09 -40.52 64.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.554 -0.294 . . . . 10.0 110.677 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 50.7 t60 -62.76 -50.93 69.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.252 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 47.1 m-70 -58.02 -41.46 83.22 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.696 -0.683 . . . . 10.0 111.104 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 22.1 m-30 -69.83 -42.89 73.04 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.014 -0.539 . . . . 10.0 111.237 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -62.32 -44.55 96.24 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.035 -0.53 . . . . 10.0 111.621 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 98' ' ' GLU . . . . . 0.445 ' HA ' ' HE2' ' C' ' 101' ' ' LYS . 31.6 mm-40 -61.9 -38.24 87.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.401 -0.363 . . . . 10.0 111.15 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -67.2 -41.81 85.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.744 0.306 . . . . 10.0 110.528 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 96.0 mt -54.87 -49.94 65.92 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 CA-C-N 115.773 -0.649 . . . . 10.0 110.632 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 101' ' ' LYS . . . . . 0.445 ' HE2' ' HA ' ' C' ' 98' ' ' GLU . 39.8 mtmt -63.14 -38.97 93.27 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.753 -0.658 . . . . 10.0 111.182 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 102' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' C' ' 102' ' ' ARG . 46.6 ttm105 -63.81 -51.06 66.46 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.909 -0.587 . . . . 10.0 111.907 -179.147 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 53.0 t -68.33 -42.46 84.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 112.604 0.594 . . . . 10.0 112.604 -178.526 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 104' ' ' LYS . . . . . 0.497 ' HD2' ' HE2' ' C' ' 78' ' ' PHE . 30.0 mtpp -82.71 -9.58 59.3 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.641 0.608 . . . . 10.0 112.641 -178.618 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 15.5 t70 56.79 36.38 27.61 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.309 0.576 . . . . 10.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 43.7 t -140.45 135.27 31.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.714 -0.675 . . . . 10.0 110.434 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -86.32 -29.02 23.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.427 0.632 . . . . 10.0 110.061 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -103.32 106.79 17.39 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.618 -0.719 . . . . 10.0 110.781 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 58.5 t -134.58 132.36 20.72 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 115.552 -0.749 . . . . 10.0 109.735 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_exo -58.0 106.73 0.27 Allowed 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.772 2.315 . . . . 10.0 111.603 179.349 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 111' ' ' MET . . . . . . . . . . . . . 63.3 mtm -138.57 149.73 45.59 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.645 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 112' ' ' VAL . . . . . 0.419 HG22 ' HG2' ' C' ' 140' ' ' PRO . 79.1 t -133.83 135.72 54.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 116.149 -0.478 . . . . 10.0 109.742 179.667 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 113' ' ' LEU . . . . . 0.532 ' O ' ' HA ' ' C' ' 141' ' ' PHE . 28.8 tp -97.48 119.86 36.8 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.239 -0.652 . . . . 10.0 109.239 179.454 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 2.1 m -128.82 130.19 68.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-O 120.989 0.423 . . . . 10.0 111.415 -179.443 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -97.11 129.61 9.96 Favored Glycine 0 N--CA 1.445 -0.731 0 N-CA-C 110.835 -0.906 . . . . 10.0 110.835 178.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 116' ' ' ASN . . . . . 0.412 ' ND2' ' HA3' ' C' ' 15' ' ' GLY . 63.5 t30 -101.86 164.5 11.69 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 122.623 -0.339 . . . . 10.0 111.16 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 117' ' ' LYS . . . . . 0.473 ' HB3' HD12 ' C' ' 120' ' ' LEU . 95.8 mttt 62.68 33.2 15.78 Favored 'General case' 0 N--CA 1.463 0.212 0 O-C-N 123.593 0.558 . . . . 10.0 111.549 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 118' ' ' CYS . . . . . 0.486 ' HA ' HD13 ' C' ' 84' ' ' ILE . 78.9 m -72.68 -2.12 18.95 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.647 0.61 . . . . 10.0 112.647 -179.475 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -96.8 -2.9 43.21 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.217 0.532 . . . . 10.0 110.194 179.397 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 120' ' ' LEU . . . . . 0.473 HD12 ' HB3' ' C' ' 117' ' ' LYS . 42.9 mt -93.45 145.98 30.99 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.574 -0.739 . . . . 10.0 110.284 179.558 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -82.34 169.24 14.26 Favored 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 122.796 2.331 . . . . 10.0 112.113 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 3.4 m 58.72 69.87 0.7 Allowed 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.775 -0.648 . . . . 10.0 112.528 179.252 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 123' ' ' ARG . . . . . 0.54 ' HB3' HD12 ' C' ' 84' ' ' ILE . 15.4 ptp180 -89.28 144.85 25.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.068 -0.514 . . . . 10.0 110.085 179.349 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.96 -34.84 15.01 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.778 0.323 . . . . 10.0 110.538 -179.252 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 89.3 t -102.21 117.73 47.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 109.876 -0.416 . . . . 10.0 109.876 178.684 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 126' ' ' ASP . . . . . 0.673 ' OD1' ' HG2' ' C' ' 128' ' ' LYS . 10.9 t70 -73.3 151.71 41.21 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.16 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 3.3 m -58.5 -42.52 87.82 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.576 -0.284 . . . . 10.0 111.143 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 128' ' ' LYS . . . . . 0.673 ' HG2' ' OD1' ' C' ' 126' ' ' ASP . 8.3 pttm -60.22 -42.57 95.46 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 113.434 0.902 . . . . 10.0 113.434 -178.295 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -72.51 -33.34 66.85 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.735 -0.386 . . . . 10.0 111.183 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -70.17 -37.46 75.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.245 0.545 . . . . 10.0 109.629 178.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 131' ' ' GLN . . . . . 0.552 ' HB3' ' CZ ' ' B' ' 161' ' ' ARG . 70.8 mt-30 -69.64 -40.58 76.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.559 -0.746 . . . . 10.0 110.382 179.497 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -59.9 -46.18 90.18 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.302 -0.408 . . . . 10.0 111.376 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 50.8 tp -59.88 -42.46 93.79 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.07 0.462 . . . . 10.0 110.169 179.233 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.89 -35.33 80.33 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.036 179.451 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 135' ' ' ARG . . . . . 0.625 ' HG3' ' HB3' ' B' ' 161' ' ' ARG . 7.1 tmm_? -64.87 -42.53 94.77 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 115.772 -0.649 . . . . 10.0 110.583 179.722 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 17.5 m -64.83 -27.36 68.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.067 0.461 . . . . 10.0 110.532 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 11.2 m-30 -85.45 -39.22 17.76 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.057 -0.52 . . . . 10.0 110.572 178.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 98.59 25.76 9.72 Favored Glycine 0 N--CA 1.448 -0.541 0 N-CA-C 110.975 -0.85 . . . . 10.0 110.975 -179.328 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 47.8 pt -114.91 150.42 44.1 Favored Pre-proline 0 C--N 1.326 -0.44 0 N-CA-C 110.36 -0.237 . . . . 10.0 110.36 -179.365 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 140' ' ' PRO . . . . . 0.419 ' HG2' HG22 ' C' ' 112' ' ' VAL . 57.8 Cg_endo -74.43 147.72 37.04 Favored 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 122.507 2.138 . . . . 10.0 112.044 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 141' ' ' PHE . . . . . 0.532 ' HA ' ' O ' ' C' ' 113' ' ' LEU . 51.9 t80 -128.13 125.88 40.0 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.097 -0.501 . . . . 10.0 110.28 179.659 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 78.4 mt -131.09 129.86 63.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.356 -0.384 . . . . 10.0 110.948 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -79.2 128.18 32.98 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.765 -0.828 . . . . 10.0 108.765 178.172 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 5.3 p -136.37 176.84 8.33 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.902 0.704 . . . . 10.0 112.902 -177.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 6.9 t -161.84 131.87 4.79 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 108.118 -1.068 . . . . 10.0 108.118 178.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -73.48 -27.27 61.3 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.051 0.453 . . . . 10.0 110.977 -179.37 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 49.5 mttt -70.48 -44.06 68.5 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.827 -0.624 . . . . 10.0 111.551 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 53.9 p -82.41 -27.59 31.92 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.646 -179.207 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 149' ' ' ARG . . . . . 0.484 ' O ' ' HG3' ' C' ' 149' ' ' ARG . 12.1 tpt180 67.33 23.09 9.35 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 122.221 1.01 . . . . 10.0 108.729 -178.71 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -89.33 115.57 26.9 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.795 -1.093 . . . . 10.0 111.413 -178.736 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 77.2 -2.66 60.72 Favored Glycine 0 CA--C 1.52 0.349 0 CA-C-N 116.065 -0.516 . . . . 10.0 113.911 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 152' ' ' VAL . . . . . 0.44 HG12 HD13 ' C' ' 23' ' ' LEU . 37.9 t -66.75 -38.53 81.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.834 0.35 . . . . 10.0 111.482 -179.034 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -66.95 -45.55 77.43 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.096 0.474 . . . . 10.0 110.837 -179.525 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -70.95 -27.47 63.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.974 -0.557 . . . . 10.0 112.02 -178.722 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -56.91 -45.38 82.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.977 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -73.03 -35.77 66.83 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.125 -0.489 . . . . 10.0 111.093 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -62.4 -47.65 83.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.968 -0.56 . . . . 10.0 111.739 -179.407 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 27.4 m -61.96 -34.87 76.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.57 -0.286 . . . . 10.0 111.323 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 159' ' ' LEU . . . . . 0.431 ' O ' HG13 ' C' ' 163' ' ' ILE . 64.0 tp -60.85 -44.58 96.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.301 0.572 . . . . 10.0 109.538 178.83 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 78.9 t -67.67 -39.99 83.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.387 -0.824 . . . . 10.0 110.281 179.321 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 54.2 mtm-85 -63.04 -35.23 79.56 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.825 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 47.8 mm-40 -65.34 -34.78 79.12 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.72 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 163' ' ' ILE . . . . . 0.431 HG13 ' O ' ' C' ' 159' ' ' LEU . 54.7 mt -67.7 -42.17 86.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 108.749 -0.834 . . . . 10.0 108.749 178.344 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -61.54 -39.95 92.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.152 -0.931 . . . . 10.0 110.145 179.398 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 28.6 ttmt -62.21 -46.98 86.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.718 -0.674 . . . . 10.0 110.646 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 22.0 t-80 -62.13 -47.24 85.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.973 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 C--N 1.329 -0.289 0 N-CA-C 111.974 0.361 . . . . 10.0 111.974 -179.84 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 21.5 tttm . . . . . 0 N--CA 1.454 -0.244 0 CA-C-O 120.823 0.344 . . . . 10.0 110.256 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 79.8 mt -63.23 -38.35 90.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 10.0 111.169 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 27.4 mt -63.55 -34.11 77.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.294 0.569 . . . . 10.0 110.183 179.364 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -72.61 -47.32 48.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.429 -0.805 . . . . 10.0 110.01 179.34 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -61.72 -39.62 92.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.802 -0.636 . . . . 10.0 109.698 179.182 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 28.8 t90 -61.94 -33.67 74.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.348 -0.842 . . . . 10.0 110.319 178.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -61.55 -48.85 79.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.961 0.41 . . . . 10.0 110.607 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 49.8 m -59.71 -41.38 90.68 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.478 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 59.8 t -65.89 -39.38 84.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.181 0.515 . . . . 10.0 109.713 178.525 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 94.1 m -61.55 -45.73 92.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.773 -0.649 . . . . 10.0 109.792 178.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 20.2 m -63.66 -31.2 72.3 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.178 178.732 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 27.2 m -66.17 -41.57 90.12 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 109.139 -0.689 . . . . 10.0 109.139 178.482 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -61.96 -40.32 95.17 Favored 'General case' 0 N--CA 1.457 -0.121 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.476 179.116 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 215' ' ' SER . . . . . 0.432 ' O ' ' HG3' ' A' ' 219' ' ' GLU . 1.4 m -60.16 -52.28 66.0 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 109.679 -0.489 . . . . 10.0 109.679 179.092 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 216' ' ' LYS . . . . . 0.598 ' HD2' HG22 ' D' ' 557' ' ' THR . 43.0 mmtt -59.08 -39.23 81.5 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.708 -0.678 . . . . 10.0 110.378 179.279 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 43.2 mt -62.7 -46.62 87.31 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-N 115.646 -0.706 . . . . 10.0 110.776 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 11.3 mtp180 -63.27 -38.06 89.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.391 -0.368 . . . . 10.0 110.717 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 219' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' A' ' 215' ' ' SER . 44.0 mt-10 -64.46 -31.26 72.39 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 116.253 -0.431 . . . . 10.0 110.644 179.141 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -85.73 -39.04 17.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.299 179.028 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 35.8 mt -56.19 -40.64 74.27 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.858 -0.61 . . . . 10.0 111.716 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -50.9 -67.49 1.91 Allowed Glycine 0 CA--C 1.52 0.359 0 C-N-CA 121.11 -0.567 . . . . 10.0 111.756 179.1 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -54.04 -40.78 79.95 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 123.009 2.473 . . . . 10.0 111.293 178.144 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 24.3 t -56.34 -42.57 74.66 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-O 120.81 0.338 . . . . 10.0 110.24 179.338 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 225' ' ' THR . . . . . 0.434 ' O ' ' HB2' ' A' ' 229' ' ' TRP . 14.5 m -62.23 -45.25 94.17 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.643 -0.503 . . . . 10.0 109.643 178.643 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -62.98 -46.21 88.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.888 -0.596 . . . . 10.0 111.063 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -62.43 -52.64 62.77 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.262 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 5.3 m-30 -61.53 -41.7 97.72 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.043 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 229' ' ' TRP . . . . . 0.434 ' HB2' ' O ' ' A' ' 225' ' ' THR . 1.1 m-90 -63.62 -38.26 90.46 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 116.629 -0.26 . . . . 10.0 110.466 179.285 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -61.34 -48.7 80.13 Favored 'General case' 0 CA--C 1.52 -0.179 0 N-CA-C 109.373 -0.602 . . . . 10.0 109.373 178.378 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 231' ' ' ASN . . . . . 0.616 ' HA ' ' HE2' ' A' ' 234' ' ' LYS . 72.2 m-20 -63.99 -43.9 94.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.606 -0.724 . . . . 10.0 110.081 179.135 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 47.4 mt -60.06 -44.67 94.54 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 115.945 -0.571 . . . . 10.0 110.665 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -63.78 -32.18 73.59 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 116.44 -0.345 . . . . 10.0 111.269 179.618 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 234' ' ' LYS . . . . . 0.616 ' HE2' ' HA ' ' A' ' 231' ' ' ASN . 41.3 mtmt -73.52 -35.0 65.52 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.208 -0.664 . . . . 10.0 109.208 178.415 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -67.47 -48.87 65.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.489 -0.778 . . . . 10.0 109.063 178.036 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 4.4 p -65.43 -34.82 79.19 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 116.015 -0.539 . . . . 10.0 109.947 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -61.61 -44.09 97.64 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 108.49 -0.93 . . . . 10.0 108.49 177.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -61.78 -41.37 99.61 Favored Glycine 0 N--CA 1.447 -0.574 0 N-CA-C 110.429 -1.068 . . . . 10.0 110.429 178.142 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 94.8 mt -65.48 -34.45 78.3 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-O 120.896 0.379 . . . . 10.0 110.399 178.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 240' ' ' ARG . . . . . 0.43 ' O ' ' HB3' ' A' ' 243' ' ' MET . 49.9 mtt180 -68.38 -36.55 79.33 Favored 'General case' 0 CA--C 1.519 -0.243 0 N-CA-C 109.358 -0.608 . . . . 10.0 109.358 178.687 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -69.93 -41.24 74.87 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 108.41 -0.959 . . . . 10.0 108.41 177.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -67.16 -26.87 66.87 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-N 115.235 -0.893 . . . . 10.0 110.265 178.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 243' ' ' MET . . . . . 0.861 ' HG3' HD12 ' A' ' 247' ' ' LEU . 39.1 ttm -58.06 -36.01 72.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.91 0.386 . . . . 10.0 110.172 178.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 244' ' ' SER . . . . . 0.448 ' HA ' ' HG2' ' A' ' 248' ' ' GLU . 17.7 m -74.81 8.21 2.6 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.409 -0.814 . . . . 10.0 111.125 179.352 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -132.13 -57.46 0.97 Allowed 'General case' 0 C--O 1.22 -0.496 0 CA-C-N 115.809 -0.632 . . . . 10.0 109.493 179.017 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 246' ' ' ASP . . . . . 0.69 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 21.1 t70 -57.24 -59.91 4.41 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.524 -0.762 . . . . 10.0 111.228 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 247' ' ' LEU . . . . . 0.861 HD12 ' HG3' ' A' ' 243' ' ' MET . 95.1 mt -76.88 -36.34 56.79 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.18 -0.464 . . . . 10.0 111.579 -179.575 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 248' ' ' GLU . . . . . 0.448 ' HG2' ' HA ' ' A' ' 244' ' ' SER . 73.3 mm-40 -65.75 -47.71 74.32 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.264 0.468 . . . . 10.0 112.264 -179.701 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -69.56 -30.8 68.67 Favored 'General case' 0 CA--C 1.517 -0.309 0 C-N-CA 121.208 -0.197 . . . . 10.0 110.83 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 250' ' ' VAL . . . . . 0.78 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 1.4 p -70.67 -30.16 41.1 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.339 0 C-N-CA 120.577 -0.449 . . . . 10.0 110.485 179.101 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 251' ' ' LYS . . . . . 0.513 ' O ' HG12 ' A' ' 254' ' ' VAL . 96.2 mttt -81.25 -34.2 32.27 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.159 0.504 . . . . 10.0 110.124 178.838 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -73.17 -44.27 60.2 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.063 179.242 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -80.32 -18.39 49.33 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.786 -0.643 . . . . 10.0 112.033 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 254' ' ' VAL . . . . . 0.78 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 1.2 p -63.53 -26.33 40.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 C-N-CA 120.859 -0.337 . . . . 10.0 110.623 179.725 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 255' ' ' GLN . . . . . 0.51 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 39.6 mt-30 -61.82 -63.56 4.12 Favored Pre-proline 0 CA--C 1.539 0.555 0 CA-C-N 116.416 -0.356 . . . . 10.0 110.557 179.435 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 256' ' ' PRO . . . . . 0.51 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 29.0 Cg_endo -65.92 -32.67 44.69 Favored 'Trans proline' 0 C--N 1.359 1.126 0 C-N-CA 121.449 1.433 . . . . 10.0 111.582 178.512 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 4.8 m-30 -61.62 -56.09 23.62 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 120.882 0.373 . . . . 10.0 110.285 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 19.3 mt -67.72 -40.25 84.26 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.983 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -57.65 -45.13 85.91 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 116.477 -0.329 . . . . 10.0 111.073 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -64.8 -50.95 64.74 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.132 -0.485 . . . . 10.0 111.115 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -63.2 -37.34 86.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.895 0.378 . . . . 10.0 111.019 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -67.14 -43.11 83.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.105 -0.498 . . . . 10.0 109.769 178.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 263' ' ' LYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 266' ' ' GLN . 0.6 OUTLIER -66.36 -41.47 89.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.995 -0.548 . . . . 10.0 109.804 179.019 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 264' ' ' LYS . . . . . 0.631 ' HE3' ' HB1' ' D' ' 509' ' ' ALA . 42.7 mttp -62.6 -41.38 98.94 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 108.981 -0.748 . . . . 10.0 108.981 178.614 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 1.6 m95 -65.91 -34.74 78.81 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.396 -0.82 . . . . 10.0 110.148 178.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 266' ' ' GLN . . . . . 0.404 ' HB2' ' O ' ' A' ' 263' ' ' LYS . 42.8 mt-30 -59.38 -48.75 80.47 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 108.817 -0.808 . . . . 10.0 108.817 178.026 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -61.84 -44.41 96.89 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.333 -0.849 . . . . 10.0 109.376 178.547 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 268' ' ' GLU . . . . . 0.496 ' HG2' ' HD3' ' D' ' 506' ' ' ARG . 10.7 mt-10 -58.78 -46.06 88.38 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.877 179.156 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 93.0 mmm -65.68 -43.87 87.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.101 -0.5 . . . . 10.0 110.793 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -62.19 -46.8 87.31 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.466 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 83.5 mt -62.97 -41.64 99.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 10.0 110.197 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 272' ' ' TYR . . . . . 0.435 ' HD1' ' HA ' ' A' ' 272' ' ' TYR . 0.6 OUTLIER -64.47 -41.45 96.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.96 179.256 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 273' ' ' ARG . . . . . 0.605 ' HA ' HG12 ' A' ' 276' ' ' VAL . 86.6 mtt180 -72.36 -37.26 68.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.001 0.429 . . . . 10.0 111.356 179.524 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -65.0 -33.61 76.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.925 -0.58 . . . . 10.0 110.117 178.612 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 275' ' ' LYS . . . . . 0.692 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 9.9 mptt -87.18 -37.89 16.89 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.828 -0.624 . . . . 10.0 111.138 179.353 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 276' ' ' VAL . . . . . 0.605 HG12 ' HA ' ' A' ' 273' ' ' ARG . 2.8 p -56.24 -32.35 34.64 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.141 0 N-CA-C 112.202 0.445 . . . . 10.0 112.202 -179.309 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -60.98 -63.71 3.99 Favored Pre-proline 0 CA--C 1.538 0.493 0 C-N-CA 121.033 -0.267 . . . . 10.0 111.262 179.189 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 278' ' ' PRO . . . . . 0.439 ' O ' ' HG3' ' A' ' 282' ' ' GLU . 34.0 Cg_endo -66.18 -34.77 35.38 Favored 'Trans proline' 0 C--N 1.355 0.885 0 C-N-CA 121.74 1.627 . . . . 10.0 112.119 178.634 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 279' ' ' LEU . . . . . 0.799 HD22 ' HE3' ' D' ' 495' ' ' LYS . 14.8 mt -63.83 -40.95 97.81 Favored 'General case' 0 C--N 1.334 -0.075 0 C-N-CA 120.775 -0.37 . . . . 10.0 110.675 179.347 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -68.46 -31.26 70.43 Favored 'General case' 0 CA--C 1.522 -0.131 0 N-CA-C 108.921 -0.77 . . . . 10.0 108.921 178.627 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -68.44 -46.88 68.66 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 108.852 -0.795 . . . . 10.0 108.852 178.16 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 282' ' ' GLU . . . . . 0.439 ' HG3' ' O ' ' A' ' 278' ' ' PRO . 59.9 mt-10 -60.58 -44.95 95.63 Favored 'General case' 0 C--O 1.227 -0.117 0 CA-C-N 115.828 -0.624 . . . . 10.0 109.617 178.505 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 34.3 mt -63.83 -42.0 97.72 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.352 179.041 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -58.14 -58.41 8.55 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.632 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 285' ' ' GLU . . . . . 0.459 ' HA ' ' HD2' ' A' ' 288' ' ' ARG . 38.0 mt-10 -64.24 -38.84 92.47 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.907 -0.588 . . . . 10.0 111.113 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 286' ' ' GLY . . . . . 0.465 ' O ' ' HG3' ' A' ' 290' ' ' LYS . . . -61.43 -42.39 99.76 Favored Glycine 0 N--CA 1.444 -0.798 0 N-CA-C 111.298 -0.721 . . . . 10.0 111.298 178.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -69.39 -36.91 77.25 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.692 -0.485 . . . . 10.0 109.692 178.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 288' ' ' ARG . . . . . 0.459 ' HD2' ' HA ' ' A' ' 285' ' ' GLU . 69.6 mtt180 -59.29 -48.38 81.84 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.226 179.217 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 11.0 tm0? -60.98 -50.16 74.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.683 -0.69 . . . . 10.0 110.584 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 290' ' ' LYS . . . . . 0.465 ' HG3' ' O ' ' A' ' 286' ' ' GLY . 44.8 mttp -61.87 -41.36 97.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.073 -0.512 . . . . 10.0 111.388 -179.761 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 291' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 291' ' ' LEU . 25.8 mt -66.71 -40.52 88.46 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.719 -0.219 . . . . 10.0 110.938 179.257 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -63.34 -45.4 91.41 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 110.142 -0.318 . . . . 10.0 110.142 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.31 -41.26 96.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.071 -0.513 . . . . 10.0 109.948 178.597 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 41.7 mt -67.43 -41.91 84.04 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.048 -0.524 . . . . 10.0 110.806 179.165 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -63.95 -37.84 88.88 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.374 -0.375 . . . . 10.0 110.719 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -66.34 -9.72 35.94 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.648 -0.705 . . . . 10.0 111.049 179.268 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 297' ' ' LYS . . . . . 0.512 ' HB3' HD12 ' A' ' 301' ' ' LEU . 23.2 mmtp -110.98 -39.01 4.92 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.001 178.294 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 53.8 mt -58.82 -28.02 65.62 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.159 -0.473 . . . . 10.0 111.961 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 299' ' ' SER . . . . . 0.82 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 11.5 m -84.11 -64.92 0.23 Allowed Pre-proline 0 CA--C 1.541 0.623 0 N-CA-C 112.288 0.477 . . . . 10.0 112.288 179.528 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 300' ' ' PRO . . . . . 0.82 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 48.4 Cg_exo -59.42 -48.12 14.55 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 122.485 2.123 . . . . 10.0 112.205 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 301' ' ' LEU . . . . . 0.687 ' HB3' ' HE3' ' D' ' 473' ' ' LYS . 94.6 mt -72.49 -30.31 64.42 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.648 -0.501 . . . . 10.0 109.648 179.212 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -66.19 -49.06 59.93 Favored Glycine 0 N--CA 1.444 -0.814 0 N-CA-C 110.514 -1.034 . . . . 10.0 110.514 178.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -62.73 -38.78 91.83 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 109.534 -0.543 . . . . 10.0 109.534 178.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -62.99 -41.68 99.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.436 -0.802 . . . . 10.0 109.884 178.665 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 305' ' ' MET . . . . . 0.444 ' SD ' HD13 ' D' ' 469' ' ' LEU . 6.4 tpt -67.39 -39.39 85.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.955 -0.566 . . . . 10.0 109.845 179.448 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 75.8 mtt180 -68.45 -38.36 81.06 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.532 -0.544 . . . . 10.0 109.532 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 307' ' ' ASP . . . . . 0.47 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 30.7 t0 -65.39 -42.11 92.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.626 -0.716 . . . . 10.0 109.562 178.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 308' ' ' ARG . . . . . 0.47 ' HG3' HD11 ' D' ' 469' ' ' LEU . 16.7 mmt180 -69.96 -31.48 69.22 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.463 -0.79 . . . . 10.0 109.8 178.553 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -63.61 -35.88 81.98 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.338 -0.616 . . . . 10.0 109.338 178.488 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 310' ' ' ARG . . . . . 0.47 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 67.1 mtt180 -60.16 -49.26 78.32 Favored 'General case' 0 C--O 1.223 -0.336 0 N-CA-C 108.756 -0.831 . . . . 10.0 108.756 178.287 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -64.87 -40.68 95.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.466 179.216 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -56.77 -54.13 49.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.808 -0.633 . . . . 10.0 109.941 179.373 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 52.0 t -72.82 -34.16 45.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.859 -0.609 . . . . 10.0 111.717 -179.148 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 314' ' ' ASP . . . . . 0.423 ' HB2' ' O ' ' A' ' 310' ' ' ARG . 4.5 t70 -64.36 -45.81 86.12 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 122.263 -0.273 . . . . 10.0 110.582 179.711 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -62.47 -37.06 84.47 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.019 -0.734 . . . . 10.0 109.019 178.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 26.0 mt -68.45 -42.69 78.47 Favored 'General case' 0 C--O 1.218 -0.598 0 CA-C-N 115.483 -0.78 . . . . 10.0 110.15 178.64 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 11.9 mtm105 -63.56 -41.32 98.41 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.991 0.424 . . . . 10.0 110.689 179.479 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 4.7 m -68.42 -18.66 64.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.478 0.656 . . . . 10.0 110.293 179.274 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -93.23 -40.53 10.4 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.554 -0.748 . . . . 10.0 109.746 178.646 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 75.9 mt -67.72 -33.66 75.33 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.818 -0.628 . . . . 10.0 111.478 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 321' ' ' ALA . . . . . 0.468 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -53.38 -59.25 9.79 Favored Pre-proline 0 CA--C 1.537 0.475 0 N-CA-C 112.025 0.38 . . . . 10.0 112.025 179.651 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 322' ' ' PRO . . . . . 0.468 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 54.3 Cg_endo -72.72 -33.72 7.85 Favored 'Trans proline' 0 C--N 1.353 0.814 0 C-N-CA 121.589 1.526 . . . . 10.0 111.806 178.589 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 7.7 m-30 -65.43 -39.39 92.04 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 112.03 0.381 . . . . 10.0 112.03 -179.495 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 324' ' ' SER . . . . . 0.625 ' HA ' HD12 ' A' ' 327' ' ' LEU . 50.0 p -65.9 -38.3 88.35 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.933 -0.395 . . . . 10.0 109.933 179.682 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 325' ' ' ASP . . . . . 0.855 ' HA ' ' HD2' ' A' ' 328' ' ' ARG . 5.8 t70 -67.62 -36.81 81.52 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.57 -0.53 . . . . 10.0 109.57 178.764 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 71.7 mt-10 -66.09 -34.37 77.91 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 108.507 -0.923 . . . . 10.0 108.507 177.451 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 327' ' ' LEU . . . . . 0.625 HD12 ' HA ' ' A' ' 324' ' ' SER . 15.6 mt -66.07 -37.58 86.15 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 108.793 -0.817 . . . . 10.0 108.793 177.624 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 328' ' ' ARG . . . . . 0.855 ' HD2' ' HA ' ' A' ' 325' ' ' ASP . 85.9 mtt180 -65.35 -44.67 86.94 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 108.404 -0.961 . . . . 10.0 108.404 178.172 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -62.63 -39.85 95.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.733 -0.667 . . . . 10.0 109.524 178.662 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 330' ' ' ARG . . . . . 0.656 HH21 ' HB3' ' D' ' 447' ' ' GLU . 27.0 mtt180 -61.91 -53.83 50.29 Favored 'General case' 0 C--O 1.223 -0.329 0 CA-C-N 115.75 -0.659 . . . . 10.0 109.705 178.562 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 64.4 mt -60.97 -37.92 84.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.936 -0.575 . . . . 10.0 111.242 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -63.4 -51.97 63.59 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.994 -0.373 . . . . 10.0 109.994 178.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -62.06 -44.98 95.52 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.58 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 334' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 334' ' ' ARG . 39.8 mtt180 -60.19 -48.78 80.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.007 -0.542 . . . . 10.0 111.034 179.221 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 335' ' ' LEU . . . . . 0.465 ' O ' ' HB2' ' A' ' 339' ' ' LYS . 49.0 mt -68.0 -27.75 66.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.35 -0.386 . . . . 10.0 111.322 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -69.16 -43.68 73.79 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.082 -0.711 . . . . 10.0 109.082 178.314 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -68.0 -48.55 65.46 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.586 -0.734 . . . . 10.0 109.615 178.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 75.0 mt -63.32 -23.03 67.24 Favored 'General case' 0 C--O 1.223 -0.307 0 CA-C-N 115.761 -0.654 . . . . 10.0 111.346 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 339' ' ' LYS . . . . . 0.465 ' HB2' ' O ' ' A' ' 335' ' ' LEU . 74.6 tttt -72.12 -47.05 54.04 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 110.017 -0.364 . . . . 10.0 110.017 179.148 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -71.83 -47.71 51.29 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 120.98 0.419 . . . . 10.0 110.177 179.223 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -62.25 -41.04 98.09 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.778 -0.646 . . . . 10.0 109.764 178.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -64.06 -43.07 97.82 Favored Glycine 0 N--CA 1.45 -0.391 0 N-CA-C 111.385 -0.686 . . . . 10.0 111.385 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -61.83 -43.25 99.48 Favored Glycine 0 C--N 1.33 0.207 0 N-CA-C 110.788 -0.925 . . . . 10.0 110.788 178.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -63.49 -45.18 91.88 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.527 -0.546 . . . . 10.0 109.527 178.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 28.0 mtm180 -64.01 -37.46 87.52 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 115.961 -0.563 . . . . 10.0 111.005 179.395 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 20.0 mt -61.84 -46.69 88.38 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.847 -0.427 . . . . 10.0 109.847 179.014 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.18 -41.8 97.45 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.59 -0.522 . . . . 10.0 109.59 178.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 348' ' ' GLU . . . . . 0.471 ' HB3' ' HE2' ' A' ' 352' ' ' LYS . 3.6 mt-10 -65.97 -40.89 91.67 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.687 -0.688 . . . . 10.0 110.628 178.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -61.63 -43.84 98.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.239 -0.437 . . . . 10.0 110.546 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 69.0 m-70 -68.31 -37.52 80.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 10.0 109.992 179.112 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -63.39 -44.26 95.23 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 109.527 -0.546 . . . . 10.0 109.527 178.358 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 352' ' ' LYS . . . . . 0.471 ' HE2' ' HB3' ' A' ' 348' ' ' GLU . 13.5 mttm -68.13 -40.65 82.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.541 -0.754 . . . . 10.0 110.093 179.185 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.52 -37.42 78.29 Favored 'General case' 0 C--O 1.225 -0.235 0 N-CA-C 109.67 -0.492 . . . . 10.0 109.67 178.599 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 83.1 m -64.98 -40.36 94.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.901 -0.59 . . . . 10.0 109.809 178.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -69.26 -35.73 76.39 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 116.262 -0.427 . . . . 10.0 110.188 178.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 356' ' ' HIS . . . . . 0.401 ' O ' ' HB2' ' A' ' 360' ' ' LEU . 12.3 m-70 -69.58 -35.88 75.76 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.05 -0.722 . . . . 10.0 109.05 178.398 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 23.0 mt -70.83 -41.13 71.93 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.973 -0.558 . . . . 10.0 111.879 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 4.1 p -64.84 -41.24 95.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.918 0.39 . . . . 10.0 110.815 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 359' ' ' THR . . . . . 0.467 HG21 ' HG3' ' D' ' 418' ' ' GLN . 3.0 p -74.19 -29.05 61.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.309 -0.405 . . . . 10.0 109.991 178.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 360' ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' A' ' 356' ' ' HIS . 27.4 tp -64.98 -31.18 72.3 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 115.429 -0.805 . . . . 10.0 109.266 178.79 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 4.9 m -60.13 -35.64 75.72 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.324 -0.398 . . . . 10.0 109.997 178.646 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 362' ' ' GLU . . . . . 0.449 ' HA ' ' HD2' ' A' ' 366' ' ' PRO . 42.2 mm-40 -66.53 -25.7 66.79 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.281 0.562 . . . . 10.0 110.14 178.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 363' ' ' LYS . . . . . 0.667 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 89.3 mttt -89.61 -32.05 17.28 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.872 -0.603 . . . . 10.0 110.252 179.723 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 364' ' ' ALA . . . . . 0.407 ' HA ' HD12 ' A' ' 368' ' ' LEU . . . -82.06 -28.11 32.59 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.886 0.698 . . . . 10.0 112.886 -178.628 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 365' ' ' LYS . . . . . 0.964 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 82.9 mttt -107.51 -75.19 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 N-CA-C 112.83 0.678 . . . . 10.0 112.83 -179.744 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 366' ' ' PRO . . . . . 0.964 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 50.7 Cg_exo -57.29 -56.78 1.6 Allowed 'Trans proline' 0 C--N 1.356 0.931 0 C-N-CA 122.141 1.894 . . . . 10.0 112.925 -179.516 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 367' ' ' ALA . . . . . 0.667 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -59.46 -48.57 81.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.608 -0.269 . . . . 10.0 111.705 -179.416 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 368' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 364' ' ' ALA . 1.7 mt -61.81 -42.26 98.8 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 111.78 0.289 . . . . 10.0 111.78 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -64.39 -43.85 93.18 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.902 -0.319 . . . . 10.0 110.402 179.422 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -61.21 -42.8 99.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.284 0.564 . . . . 10.0 109.947 178.659 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 72.7 mt -64.52 -44.38 91.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.6 -0.727 . . . . 10.0 110.361 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 -65.91 -44.58 84.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.29 -0.414 . . . . 10.0 111.01 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -64.21 -24.68 67.76 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.512 179.329 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -89.08 -32.49 10.62 Favored Glycine 0 N--CA 1.446 -0.678 0 N-CA-C 111.003 -0.839 . . . . 10.0 111.003 178.655 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 29.4 mt -65.83 -33.59 76.2 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 122.885 -0.185 . . . . 10.0 110.898 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 376' ' ' LEU . . . . . 0.403 ' HB2' ' CD ' ' A' ' 377' ' ' PRO . 72.0 mt -54.08 -62.42 3.9 Favored Pre-proline 0 CA--C 1.538 0.481 0 N-CA-C 112.274 0.472 . . . . 10.0 112.274 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 377' ' ' PRO . . . . . 0.403 ' CD ' ' HB2' ' A' ' 376' ' ' LEU . 24.4 Cg_endo -63.6 -33.12 68.49 Favored 'Trans proline' 0 C--N 1.355 0.888 0 C-N-CA 121.778 1.652 . . . . 10.0 111.962 179.44 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 41.1 t -65.23 -48.38 83.73 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 N-CA-C 109.872 -0.418 . . . . 10.0 109.872 179.058 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 379' ' ' LEU . . . . . 0.608 ' O ' ' HG3' ' A' ' 383' ' ' LYS . 35.0 mt -63.62 -36.88 85.29 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.545 -0.539 . . . . 10.0 109.545 178.732 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 380' ' ' GLU . . . . . 0.42 ' HA ' ' HD2' ' A' ' 383' ' ' LYS . 36.1 tt0 -63.7 -49.41 73.23 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.315 -0.402 . . . . 10.0 110.908 179.313 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 1.6 p -63.37 -33.9 76.55 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.231 0.538 . . . . 10.0 109.641 178.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -68.51 -36.63 79.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.564 -0.744 . . . . 10.0 109.693 178.031 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 383' ' ' LYS . . . . . 0.608 ' HG3' ' O ' ' A' ' 379' ' ' LEU . 84.8 mttt -58.51 -48.84 79.49 Favored 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 109.221 -0.659 . . . . 10.0 109.221 178.357 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 17.7 t -62.13 -44.63 99.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.814 -0.63 . . . . 10.0 109.598 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 36.2 m -61.38 -40.2 93.47 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.979 179.27 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 386' ' ' PHE . . . . . 0.411 ' O ' ' HG ' ' A' ' 390' ' ' LEU . 7.0 m-85 -68.44 -43.11 77.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.407 -0.36 . . . . 10.0 110.312 179.195 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 387' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 383' ' ' LYS . 86.1 mt -57.5 -47.22 82.53 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.521 179.216 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 388' ' ' SER . . . . . 0.451 ' O ' ' HG2' ' A' ' 392' ' ' GLU . 2.4 p -65.5 -38.29 89.3 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.422 -0.354 . . . . 10.0 110.478 179.402 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -61.76 -44.19 97.38 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.367 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 390' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 386' ' ' PHE . 74.0 mt -60.22 -46.4 89.9 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 115.88 -0.6 . . . . 10.0 109.957 179.211 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 391' ' ' GLU . . . . . 0.438 ' HG3' ' O ' ' A' ' 387' ' ' LEU . 44.2 mt-10 -59.66 -42.96 94.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.595 -0.729 . . . . 10.0 111.039 179.682 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 392' ' ' GLU . . . . . 0.451 ' HG2' ' O ' ' A' ' 388' ' ' SER . 54.6 mm-40 -57.56 -44.98 85.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.891 0.377 . . . . 10.0 110.964 179.491 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -65.35 -43.52 90.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.14 0.495 . . . . 10.0 110.562 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 20.4 m -67.05 -32.1 73.06 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.98 -0.554 . . . . 10.0 112.122 -179.414 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -79.76 -39.59 30.65 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.699 0.629 . . . . 10.0 112.699 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 396' ' ' LYS . . . . . 0.701 ' HE2' ' HA ' ' D' ' 587' ' ' ALA . 13.8 mptt -89.07 -29.52 19.36 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 114.129 1.159 . . . . 10.0 114.129 -177.742 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 32.2 mt -100.03 -14.37 18.67 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.849 0.685 . . . . 10.0 112.849 -178.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 58.1 t30 . . . . . 0 C--N 1.324 -0.508 0 CA-C-O 120.535 0.207 . . . . 10.0 111.145 -179.221 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' D' D ' 399' ' ' LEU . . . . . 0.453 HD13 ' HA ' ' D' ' 399' ' ' LEU . 1.5 mm? . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.948 0.404 . . . . 10.0 110.938 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 26.9 mtpt -107.65 14.39 25.7 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.084 -0.507 . . . . 10.0 109.959 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 80.6 mt -62.21 -41.95 98.85 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.506 -0.77 . . . . 10.0 110.464 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 84.5 mt -61.3 -39.77 91.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.808 -0.633 . . . . 10.0 111.152 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -63.23 -47.7 81.36 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.829 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 404' ' ' ASN . . . . . 0.489 ' O ' HG23 ' D' ' 408' ' ' VAL . 23.0 t-20 -68.1 -46.98 69.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.983 0.421 . . . . 10.0 110.834 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -38.82 81.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.785 -0.643 . . . . 10.0 111.636 -179.445 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -60.82 -46.41 90.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.396 -0.365 . . . . 10.0 110.761 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 2.5 m -63.42 -34.65 78.21 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-O 120.937 0.398 . . . . 10.0 110.522 179.075 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 408' ' ' VAL . . . . . 0.489 HG23 ' O ' ' D' ' 404' ' ' ASN . 93.6 t -67.24 -37.98 80.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 N-CA-C 108.196 -1.038 . . . . 10.0 108.196 178.061 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 55.9 m -60.71 -42.91 98.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.363 -0.835 . . . . 10.0 109.349 178.442 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.28 -41.53 89.13 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.783 -0.644 . . . . 10.0 110.061 178.8 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 411' ' ' THR . . . . . 0.448 HG23 ' HE2' ' A' ' 363' ' ' LYS . 41.7 m -63.51 -39.5 94.6 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.556 -0.747 . . . . 10.0 110.115 179.035 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 11.8 m-30 -64.2 -42.92 96.43 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 116.132 -0.486 . . . . 10.0 109.695 178.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 13.5 m -64.0 -40.43 96.34 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.577 -0.527 . . . . 10.0 109.577 178.247 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 25.0 mmtm -64.16 -30.74 71.79 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 116.07 -0.514 . . . . 10.0 109.893 178.458 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 43.1 mt -68.81 -37.58 79.33 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 108.822 -0.807 . . . . 10.0 108.822 177.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -70.19 -34.45 72.98 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 109.411 -0.588 . . . . 10.0 109.411 178.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -64.22 -25.89 68.27 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-N 115.334 -0.848 . . . . 10.0 109.272 178.02 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 418' ' ' GLN . . . . . 0.467 ' HG3' HG21 ' A' ' 359' ' ' THR . 42.0 mt-30 -85.02 -55.88 3.84 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 108.459 -0.941 . . . . 10.0 108.459 177.468 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 87.3 mt -45.05 -47.82 11.77 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.173 -0.921 . . . . 10.0 112.998 -179.354 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -53.24 -78.07 0.12 Allowed Glycine 0 CA--C 1.522 0.49 0 C-N-CA 121.172 -0.537 . . . . 10.0 112.96 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 421' ' ' PRO . . . . . 0.526 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 54.0 Cg_exo -54.93 -37.69 93.14 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.942 2.428 . . . . 10.0 112.769 179.578 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 422' ' ' VAL . . . . . 0.505 ' O ' ' HB2' ' D' ' 426' ' ' PHE . 22.1 t -62.35 -49.91 82.03 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.349 0 O-C-N 123.258 0.349 . . . . 10.0 111.656 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 30.5 p -64.68 -33.17 75.32 Favored 'General case' 0 C--O 1.223 -0.306 0 C-N-CA 120.537 -0.465 . . . . 10.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -60.63 -50.06 75.02 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.898 0.38 . . . . 10.0 110.395 179.208 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 425' ' ' GLU . . . . . 0.526 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 9.5 pt-20 -77.48 -32.14 54.11 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.294 -0.412 . . . . 10.0 110.52 179.604 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 426' ' ' PHE . . . . . 0.505 ' HB2' ' O ' ' D' ' 422' ' ' VAL . 5.8 t80 -66.05 -37.79 86.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.526 -0.306 . . . . 10.0 110.25 179.444 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 3.1 m0 -62.29 -42.91 99.76 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.153 -0.684 . . . . 10.0 109.153 178.702 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 428' ' ' ASP . . . . . 0.449 ' O ' ' HG3' ' D' ' 432' ' ' LYS . 15.2 t70 -67.63 -37.16 82.06 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.149 -0.686 . . . . 10.0 109.149 178.332 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -61.46 -44.11 97.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.647 -0.706 . . . . 10.0 109.139 177.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 59.9 mt -64.44 -34.8 79.04 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 115.474 -0.784 . . . . 10.0 109.184 178.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 431' ' ' GLU . . . . . 0.426 ' HA ' ' OG1' ' D' ' 434' ' ' THR . 51.9 mt-10 -68.7 -38.27 80.14 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 115.475 -0.784 . . . . 10.0 109.404 178.14 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 432' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' D' ' 428' ' ' ASP . 53.7 mttp -59.53 -43.75 93.39 Favored 'General case' 0 C--O 1.233 0.223 0 N-CA-C 108.29 -1.004 . . . . 10.0 108.29 177.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -63.2 -51.79 64.91 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.005 -0.998 . . . . 10.0 110.256 179.19 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 434' ' ' THR . . . . . 0.426 ' OG1' ' HA ' ' D' ' 431' ' ' GLU . 0.7 OUTLIER -60.04 -45.04 94.15 Favored 'General case' 0 C--O 1.221 -0.407 0 N-CA-C 111.764 0.283 . . . . 10.0 111.764 -179.601 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -61.15 -44.97 96.49 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.038 0.447 . . . . 10.0 110.163 178.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -64.39 -46.65 89.94 Favored Glycine 0 N--CA 1.448 -0.537 0 N-CA-C 110.726 -0.95 . . . . 10.0 110.726 178.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.03 -30.58 71.64 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 115.636 -0.282 . . . . 10.0 110.806 179.526 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 73.3 mtt180 -64.33 -39.2 93.43 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.73 -0.47 . . . . 10.0 109.73 178.737 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -68.72 -33.89 74.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.887 -0.597 . . . . 10.0 109.486 178.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -71.76 -44.44 64.04 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.46 -0.791 . . . . 10.0 109.33 178.396 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 93.5 mmm -61.57 -43.66 98.45 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.252 -0.885 . . . . 10.0 112.339 -179.093 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 3.7 p -62.09 -46.9 87.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.898 0.38 . . . . 10.0 110.357 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 443' ' ' LYS . . . . . 0.608 ' O ' ' HB2' ' D' ' 447' ' ' GLU . 29.5 mtpp -65.55 -33.32 75.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.149 0.5 . . . . 10.0 110.798 179.341 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -73.14 -55.84 5.92 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.728 -0.669 . . . . 10.0 110.58 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 95.9 mt -59.96 -46.63 88.79 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 113.03 0.752 . . . . 10.0 113.03 -178.552 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -62.25 -39.26 92.3 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.704 -0.398 . . . . 10.0 110.662 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 447' ' ' GLU . . . . . 0.656 ' HB3' HH21 ' A' ' 330' ' ' ARG . 2.9 tt0 -71.27 -34.51 70.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.917 -0.583 . . . . 10.0 109.989 178.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 2.4 t -60.55 -42.83 92.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.246 -0.433 . . . . 10.0 110.198 179.063 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 78.3 mttt -64.22 -33.04 74.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.238 0.542 . . . . 10.0 109.716 178.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -92.07 15.13 14.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.38 -0.827 . . . . 10.0 110.939 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 42.1 mttm -129.43 -51.12 1.18 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.41 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 87.0 t -61.33 -35.82 68.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.775 0.321 . . . . 10.0 110.77 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -63.76 -62.59 5.08 Favored Pre-proline 0 CA--C 1.538 0.515 0 CA-C-N 116.561 -0.29 . . . . 10.0 111.474 179.179 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_endo -62.64 -33.76 76.49 Favored 'Trans proline' 0 C--N 1.355 0.877 0 C-N-CA 122.197 1.931 . . . . 10.0 112.358 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -68.87 -46.27 68.85 Favored 'General case' 0 C--O 1.224 -0.288 0 C-N-CA 121.136 -0.226 . . . . 10.0 110.523 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 456' ' ' LEU . . . . . 0.467 HD23 ' HA ' ' D' ' 456' ' ' LEU . 11.0 mt -64.33 -36.36 83.86 Favored 'General case' 0 CA--C 1.515 -0.385 0 C-N-CA 120.708 -0.397 . . . . 10.0 110.117 179.175 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -63.02 -50.0 72.39 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.66 -0.496 . . . . 10.0 109.66 178.222 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 458' ' ' ASP . . . . . 0.49 ' HA ' ' HD2' ' D' ' 461' ' ' LYS . 27.1 t70 -65.18 -35.81 82.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.784 -0.644 . . . . 10.0 110.805 179.03 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 459' ' ' PHE . . . . . 0.474 ' HD2' ' HA ' ' D' ' 459' ' ' PHE . 0.1 OUTLIER -68.91 -43.25 75.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.082 -0.508 . . . . 10.0 109.875 179.122 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -65.7 -31.66 72.79 Favored 'General case' 0 CA--C 1.519 -0.224 0 N-CA-C 109.818 -0.438 . . . . 10.0 109.818 178.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 461' ' ' LYS . . . . . 0.491 ' O ' ' HG3' ' D' ' 465' ' ' GLU . 65.9 mttt -62.88 -44.02 97.22 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 108.564 -0.902 . . . . 10.0 108.564 177.556 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 13.4 mtmm -69.65 -37.27 76.67 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.376 -0.829 . . . . 10.0 109.821 178.561 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 38.5 m0 -63.44 -39.38 94.33 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 108.937 -0.764 . . . . 10.0 108.937 178.304 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -63.7 -40.78 97.63 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 108.918 -0.771 . . . . 10.0 108.918 178.045 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 465' ' ' GLU . . . . . 0.546 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 45.7 mt-10 -60.97 -53.93 51.26 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.273 -0.64 . . . . 10.0 109.273 178.669 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.04 -50.66 72.67 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.7 -0.682 . . . . 10.0 111.752 -179.482 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 70.2 mtm -61.24 -36.42 79.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.871 0.367 . . . . 10.0 111.103 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 468' ' ' GLU . . . . . 0.631 ' HG2' HE22 ' D' ' 472' ' ' GLN . 26.4 tt0 -69.4 -42.1 75.55 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.208 -0.664 . . . . 10.0 109.208 179.013 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 469' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' D' ' 465' ' ' GLU . 94.9 mt -63.42 -26.86 68.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.282 -0.872 . . . . 10.0 110.679 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 19.3 m-30 -68.32 -27.82 66.63 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.097 0.475 . . . . 10.0 109.95 179.04 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 471' ' ' ARG . . . . . 0.429 ' HG2' ' OE2' ' D' ' 475' ' ' GLU . 71.2 mtt85 -77.35 -22.61 51.54 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.578 -0.527 . . . . 10.0 109.578 178.784 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 472' ' ' GLN . . . . . 0.631 HE22 ' HG2' ' D' ' 468' ' ' GLU . 2.0 mt-30 -99.58 -5.59 28.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.783 -0.644 . . . . 10.0 110.969 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 473' ' ' LYS . . . . . 0.687 ' HE3' ' HB3' ' A' ' 301' ' ' LEU . 62.3 mttp -127.07 -76.17 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.321 -0.4 . . . . 10.0 111.98 -179.675 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 61.9 t -49.96 -52.99 12.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 N-CA-C 113.039 0.755 . . . . 10.0 113.039 -178.41 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 475' ' ' GLU . . . . . 0.429 ' OE2' ' HG2' ' D' ' 471' ' ' ARG . 41.1 mt-10 -58.14 -58.44 18.77 Favored Pre-proline 0 CA--C 1.537 0.471 0 N-CA-C 113.929 1.085 . . . . 10.0 113.929 -179.169 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -62.86 -34.78 70.89 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 121.968 1.779 . . . . 10.0 111.601 178.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 31.6 mt -67.95 -27.67 66.81 Favored 'General case' 0 C--O 1.225 -0.189 0 N-CA-C 109.853 -0.425 . . . . 10.0 109.853 178.698 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 478' ' ' ARG . . . . . 0.407 ' O ' ' HB2' ' D' ' 482' ' ' GLN . 67.5 mtt180 -71.11 -25.52 62.63 Favored 'General case' 0 CA--C 1.516 -0.347 0 N-CA-C 109.337 -0.616 . . . . 10.0 109.337 177.664 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -79.77 -36.65 36.83 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 107.594 -1.262 . . . . 10.0 107.594 177.565 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.53 -41.16 93.4 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 108.066 -1.087 . . . . 10.0 108.066 177.25 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 58.3 mt -73.53 -28.65 62.0 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 115.097 -0.956 . . . . 10.0 110.032 178.548 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 482' ' ' GLN . . . . . 0.407 ' HB2' ' O ' ' D' ' 478' ' ' ARG . 6.7 tp60 -63.75 -55.23 24.79 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 108.299 -1.0 . . . . 10.0 108.299 178.138 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 483' ' ' GLU . . . . . 0.497 ' OE2' ' HD2' ' D' ' 486' ' ' ARG . 1.2 tp10 -64.3 -39.38 93.8 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.76 -0.654 . . . . 10.0 109.574 178.686 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -61.3 -41.8 99.6 Favored Glycine 0 N--CA 1.447 -0.592 0 N-CA-C 111.319 -0.712 . . . . 10.0 111.319 178.693 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -68.18 -41.56 81.28 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 109.404 -0.591 . . . . 10.0 109.404 178.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 486' ' ' ARG . . . . . 0.497 ' HD2' ' OE2' ' D' ' 483' ' ' GLU . 60.9 mtt180 -60.7 -42.2 96.71 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.906 -0.588 . . . . 10.0 109.88 178.752 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 487' ' ' GLN . . . . . 0.615 ' O ' ' HG3' ' D' ' 491' ' ' GLU . 20.3 mm-40 -65.96 -46.44 78.11 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.509 178.766 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -62.75 -42.57 99.74 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.912 179.438 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 36.1 mt -63.97 -35.55 81.07 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.487 -0.56 . . . . 10.0 109.487 178.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 8.2 t-160 -68.85 -39.27 79.99 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 108.518 -0.919 . . . . 10.0 108.518 178.19 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 491' ' ' GLU . . . . . 0.615 ' HG3' ' O ' ' D' ' 487' ' ' GLN . 44.3 mt-10 -62.67 -39.34 93.61 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 108.627 -0.879 . . . . 10.0 108.627 177.838 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 96.4 mt -71.8 -41.82 67.82 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-N 115.587 -0.733 . . . . 10.0 111.322 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -56.58 -44.22 80.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.984 0.421 . . . . 10.0 110.64 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -74.4 14.0 0.51 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.68 -0.691 . . . . 10.0 111.833 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 495' ' ' LYS . . . . . 0.799 ' HE3' HD22 ' A' ' 279' ' ' LEU . 54.5 mttp -131.74 -40.58 1.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.885 -0.598 . . . . 10.0 109.578 178.647 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 496' ' ' LEU . . . . . 0.582 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 60.6 mt -70.31 -28.35 65.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.814 -0.63 . . . . 10.0 111.669 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 497' ' ' SER . . . . . 0.45 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 22.1 m -79.2 -62.89 0.41 Allowed Pre-proline 0 CA--C 1.536 0.408 0 C-N-CA 120.641 -0.423 . . . . 10.0 111.681 178.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 498' ' ' PRO . . . . . 0.45 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 22.8 Cg_endo -62.13 -60.68 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 C-N-CA 122.032 1.821 . . . . 10.0 112.311 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 499' ' ' LEU . . . . . 0.6 HD11 ' HG2' ' A' ' 275' ' ' LYS . 5.6 mp -65.52 -26.45 67.9 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 116.751 -0.204 . . . . 10.0 110.505 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 500' ' ' GLY . . . . . 0.582 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -64.39 -48.21 76.39 Favored Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 110.971 -0.852 . . . . 10.0 110.971 178.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -70.61 -29.88 66.39 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 109.138 -0.69 . . . . 10.0 109.138 178.689 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 502' ' ' GLU . . . . . 0.555 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 28.5 tt0 -66.75 -45.42 78.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.53 -0.759 . . . . 10.0 109.286 178.716 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 81.4 mmm -62.11 -37.94 87.03 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.16 0.505 . . . . 10.0 109.832 178.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 504' ' ' ARG . . . . . 0.477 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 87.9 mtt180 -67.08 -41.87 85.62 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.755 -0.657 . . . . 10.0 109.55 178.609 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 505' ' ' ASP . . . . . 0.462 ' HA ' ' HD2' ' D' ' 508' ' ' ARG . 5.4 t0 -64.58 -39.82 94.42 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.544 -0.753 . . . . 10.0 109.582 179.263 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 506' ' ' ARG . . . . . 0.555 ' HG3' ' O ' ' D' ' 502' ' ' GLU . 84.3 mtt180 -62.4 -45.39 93.33 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 108.016 -1.105 . . . . 10.0 108.016 177.52 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -59.61 -39.94 85.9 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-N 115.371 -0.831 . . . . 10.0 109.869 179.021 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 508' ' ' ARG . . . . . 0.477 ' HG3' ' O ' ' D' ' 504' ' ' ARG . 73.6 mtt180 -58.23 -46.87 85.12 Favored 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 109.435 -0.58 . . . . 10.0 109.435 178.437 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 509' ' ' ALA . . . . . 0.631 ' HB1' ' HE3' ' A' ' 264' ' ' LYS . . . -65.15 -40.99 95.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.591 -0.732 . . . . 10.0 110.234 179.327 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 510' ' ' HIS . . . . . 0.49 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 33.7 m-70 -61.2 -51.0 70.85 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.066 -0.516 . . . . 10.0 110.128 179.176 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 511' ' ' VAL . . . . . 0.447 ' O ' ' HG3' ' D' ' 515' ' ' ARG . 60.7 t -65.06 -37.98 81.61 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.122 0 N-CA-C 110.029 -0.36 . . . . 10.0 110.029 179.173 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -57.99 -44.11 86.99 Favored 'General case' 0 CA--C 1.52 -0.188 0 N-CA-C 108.966 -0.754 . . . . 10.0 108.966 178.157 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -67.83 -44.24 77.67 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.557 -0.747 . . . . 10.0 109.308 178.598 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 514' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' D' ' 510' ' ' HIS . 97.7 mt -56.79 -37.9 71.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.101 179.374 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 515' ' ' ARG . . . . . 0.458 ' O ' ' HB3' ' D' ' 519' ' ' ALA . 64.1 mtt180 -65.81 -30.27 70.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.909 0.385 . . . . 10.0 110.853 179.544 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.18 0.59 46.16 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 116.092 -0.504 . . . . 10.0 111.229 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 517' ' ' HIS . . . . . 0.412 ' O ' ' HB2' ' D' ' 521' ' ' TYR . 23.3 m170 -111.45 -54.93 2.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.129 0.49 . . . . 10.0 110.952 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 56.2 mt -75.46 -52.51 10.54 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.845 -0.616 . . . . 10.0 112.144 -178.226 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 519' ' ' ALA . . . . . 0.618 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -52.75 -55.88 28.58 Favored Pre-proline 0 N--CA 1.468 0.428 0 N-CA-C 113.025 0.75 . . . . 10.0 113.025 -178.649 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 520' ' ' PRO . . . . . 0.618 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 47.2 Cg_exo -60.73 -41.33 47.41 Favored 'Trans proline' 0 C--N 1.354 0.85 0 C-N-CA 121.793 1.662 . . . . 10.0 111.388 179.113 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 521' ' ' TYR . . . . . 0.412 ' HB2' ' O ' ' D' ' 517' ' ' HIS . 5.2 t80 -65.65 -31.47 72.51 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.811 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 522' ' ' SER . . . . . 0.482 ' O ' ' HG3' ' D' ' 526' ' ' ARG . 74.7 m -63.47 -35.48 80.58 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.657 -0.497 . . . . 10.0 109.657 178.587 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 523' ' ' ASP . . . . . 0.71 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 6.6 t0 -67.1 -39.84 86.78 Favored 'General case' 0 C--O 1.231 0.092 0 N-CA-C 109.03 -0.73 . . . . 10.0 109.03 178.782 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.43 -39.32 88.87 Favored 'General case' 0 C--O 1.232 0.181 0 N-CA-C 108.96 -0.756 . . . . 10.0 108.96 177.77 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 62.7 mt -64.59 -34.38 78.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.475 -0.784 . . . . 10.0 109.984 178.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 526' ' ' ARG . . . . . 0.71 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 91.6 mtt180 -62.59 -43.2 99.39 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 108.97 -0.752 . . . . 10.0 108.97 178.445 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -63.2 -41.7 99.21 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.455 -0.793 . . . . 10.0 109.91 179.102 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 528' ' ' ARG . . . . . 0.69 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 47.9 mtt180 -67.54 -40.2 85.01 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.771 -0.65 . . . . 10.0 109.782 179.351 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 20.3 mt -64.33 -39.43 93.89 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.65 -0.5 . . . . 10.0 109.65 178.394 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -61.87 -40.14 94.36 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.138 179.205 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -74.42 -41.06 61.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.238 179.298 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 532' ' ' ARG . . . . . 0.545 ' O ' ' HG ' ' D' ' 536' ' ' LEU . 10.8 ttm180 -63.57 -51.0 67.26 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.325 -0.62 . . . . 10.0 109.325 179.288 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 71.0 mt -64.41 -28.54 69.75 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.057 -0.52 . . . . 10.0 110.21 179.037 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -62.95 -47.72 81.97 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 108.889 -0.782 . . . . 10.0 108.889 178.025 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -64.21 -37.6 88.05 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 109.207 -0.664 . . . . 10.0 109.207 179.072 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 536' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' D' ' 532' ' ' ARG . 85.4 mt -69.66 -24.41 63.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.803 -0.635 . . . . 10.0 111.26 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 38.6 mtmt -86.84 -39.96 15.36 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.029 0.443 . . . . 10.0 110.015 178.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -67.21 -56.99 7.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.778 -0.646 . . . . 10.0 109.376 178.68 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 539' ' ' ASN . . . . . 0.502 ' OD1' ' HE3' ' A' ' 234' ' ' LYS . 74.3 m-20 -71.57 -23.48 61.75 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.699 -0.682 . . . . 10.0 109.612 179.683 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 540' ' ' GLY . . . . . 0.626 ' O ' ' HG ' ' D' ' 544' ' ' LEU . . . -71.49 -43.61 52.89 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 110.021 -1.232 . . . . 10.0 110.021 178.229 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -64.18 -38.58 96.13 Favored Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 109.771 -1.332 . . . . 10.0 109.771 178.283 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -62.2 -48.26 80.79 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 108.225 -1.028 . . . . 10.0 108.225 177.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 28.3 mtt85 -59.68 -32.7 70.73 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.775 -0.648 . . . . 10.0 111.054 179.174 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 544' ' ' LEU . . . . . 0.626 ' HG ' ' O ' ' D' ' 540' ' ' GLY . 81.5 mt -64.0 -47.61 79.64 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.159 -0.682 . . . . 10.0 109.159 178.579 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -65.56 -42.59 91.68 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 115.898 -0.592 . . . . 10.0 109.638 178.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 546' ' ' GLU . . . . . 0.547 ' O ' ' HD2' ' D' ' 550' ' ' LYS . 54.3 mt-10 -61.77 -51.69 67.29 Favored 'General case' 0 C--O 1.22 -0.461 0 CA-C-N 115.78 -0.645 . . . . 10.0 110.361 179.301 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -59.28 -39.1 81.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.36 -0.382 . . . . 10.0 110.753 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 3.5 m170 -67.85 -44.68 76.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.889 0.376 . . . . 10.0 110.3 179.232 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -66.28 -39.64 89.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.869 -0.605 . . . . 10.0 110.281 179.285 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 550' ' ' LYS . . . . . 0.547 ' HD2' ' O ' ' D' ' 546' ' ' GLU . 0.0 OUTLIER -70.66 -30.81 67.51 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.044 179.009 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -71.85 -43.93 64.69 Favored 'General case' 0 C--O 1.236 0.368 0 O-C-N 123.281 0.363 . . . . 10.0 110.233 179.363 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.03 -49.63 73.84 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 109.215 -0.661 . . . . 10.0 109.215 178.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -60.72 -38.47 85.18 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.694 -0.685 . . . . 10.0 110.116 178.517 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 554' ' ' HIS . . . . . 0.544 ' HB2' ' O ' ' D' ' 550' ' ' LYS . 41.4 t60 -62.37 -42.2 99.22 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.014 -0.539 . . . . 10.0 109.597 178.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 36.0 tp -64.12 -33.81 76.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.922 -0.581 . . . . 10.0 109.86 179.315 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 9.7 m -62.18 -48.94 77.81 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 109.323 -0.621 . . . . 10.0 109.323 178.245 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 557' ' ' THR . . . . . 0.598 HG22 ' HD2' ' A' ' 216' ' ' LYS . 0.5 OUTLIER -67.94 -36.27 79.82 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.967 -0.56 . . . . 10.0 110.546 179.358 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 25.7 mt -62.26 -55.38 28.97 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.669 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 12.3 p -65.34 -33.65 76.47 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 120.663 0.268 . . . . 10.0 111.427 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -58.88 -36.18 74.21 Favored 'General case' 0 N--CA 1.46 0.07 0 CA-C-N 115.868 -0.605 . . . . 10.0 110.86 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 10.4 mptt -99.5 -32.35 11.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.099 -0.5 . . . . 10.0 112.317 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -58.64 -48.2 81.85 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.483 0.549 . . . . 10.0 112.483 -179.174 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -55.81 -59.9 10.21 Favored Pre-proline 0 CA--C 1.534 0.363 0 N-CA-C 112.407 0.521 . . . . 10.0 112.407 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -64.34 -33.92 56.98 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 122.042 1.828 . . . . 10.0 112.326 179.267 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -65.41 -49.05 70.69 Favored 'General case' 0 CA--C 1.52 -0.178 0 N-CA-C 110.441 -0.207 . . . . 10.0 110.441 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 37.8 mt -62.63 -40.33 96.67 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.759 -0.46 . . . . 10.0 109.759 179.255 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -63.84 -49.72 71.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.035 178.476 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.87 -38.66 89.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.657 179.294 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 21.8 mt -65.89 -46.13 79.46 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 116.176 -0.466 . . . . 10.0 110.124 178.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 570' ' ' ARG . . . . . 0.454 ' O ' ' HG ' ' D' ' 574' ' ' LEU . 68.0 mtt180 -63.26 -46.24 87.79 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 110.294 -0.261 . . . . 10.0 110.294 179.029 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -67.68 -19.85 65.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 10.0 111.389 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -89.96 -40.9 5.75 Favored Glycine 0 N--CA 1.446 -0.654 0 N-CA-C 110.492 -1.043 . . . . 10.0 110.492 178.387 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 573' ' ' LEU . . . . . 0.74 ' HA ' HG12 ' D' ' 576' ' ' VAL . 79.1 mt -68.86 -35.22 76.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.691 -0.255 . . . . 10.0 111.621 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 574' ' ' LEU . . . . . 0.605 ' O ' ' HG2' ' D' ' 578' ' ' GLU . 67.7 mt -50.71 -63.47 1.86 Allowed Pre-proline 0 CA--C 1.536 0.417 0 N-CA-C 111.885 0.328 . . . . 10.0 111.885 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 575' ' ' PRO . . . . . 0.455 ' HD3' ' HB2' ' D' ' 574' ' ' LEU . 55.2 Cg_endo -71.56 -35.51 7.89 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 121.8 1.667 . . . . 10.0 112.46 179.709 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 576' ' ' VAL . . . . . 0.74 HG12 ' HA ' ' D' ' 573' ' ' LEU . 0.3 OUTLIER -63.16 -39.94 87.13 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.133 0 C-N-CA 120.95 -0.3 . . . . 10.0 111.535 -179.455 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 34.3 mt -70.21 -33.09 71.27 Favored 'General case' 0 CA--C 1.516 -0.336 0 N-CA-C 109.705 -0.48 . . . . 10.0 109.705 178.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 578' ' ' GLU . . . . . 0.605 ' HG2' ' O ' ' D' ' 574' ' ' LEU . 30.7 mm-40 -65.72 -44.51 85.82 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.983 -0.747 . . . . 10.0 108.983 178.016 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 15.5 m -65.43 -39.39 92.04 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 115.511 -0.768 . . . . 10.0 108.974 178.427 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -62.27 -39.9 94.45 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.073 -0.512 . . . . 10.0 109.861 178.539 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -59.26 -40.23 85.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.934 -0.576 . . . . 10.0 109.841 178.68 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 582' ' ' VAL . . . . . 0.401 HG23 ' O ' ' D' ' 578' ' ' GLU . 65.0 t -62.77 -46.58 95.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.376 179.309 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.06 -37.6 86.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.362 -0.381 . . . . 10.0 111.078 179.492 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -68.06 -41.46 81.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.292 -0.413 . . . . 10.0 110.637 179.113 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 36.8 mt -62.14 -53.66 52.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.819 179.442 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 3.8 p -58.68 -36.06 73.61 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.009 0.433 . . . . 10.0 110.598 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 587' ' ' ALA . . . . . 0.701 ' HA ' ' HE2' ' A' ' 396' ' ' LYS . . . -66.8 -51.87 50.64 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 116.171 -0.468 . . . . 10.0 110.525 179.25 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 84.8 mt -61.02 -41.46 96.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.421 -0.354 . . . . 10.0 111.061 -179.62 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -60.62 -48.46 81.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 10.0 111.301 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -73.48 -31.46 63.76 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.704 0.261 . . . . 10.0 111.704 -179.576 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -61.02 -41.7 97.06 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.29 -0.414 . . . . 10.0 111.057 179.306 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.93 -32.73 72.56 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 121.039 -0.264 . . . . 10.0 111.179 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -72.69 -41.86 64.87 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.964 0.411 . . . . 10.0 110.422 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 594' ' ' LYS . . . . . 0.419 ' HE2' ' HB2' ' A' ' 388' ' ' SER . 7.9 mptt -72.37 -20.09 61.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.877 179.578 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 97.4 mt -108.98 31.39 5.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.959 -0.564 . . . . 10.0 109.962 179.078 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 . . . . . 0 C--N 1.326 -0.426 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.837 179.506 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.911 0.386 . . . . 10.0 110.634 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 2' ' ' THR . . . . . 0.435 ' HB ' ' CE2' ' B' ' 4' ' ' TYR . 0.0 OUTLIER -71.14 130.34 41.23 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.79 -179.883 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -97.61 134.41 40.86 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.306 -0.406 . . . . 10.0 111.157 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 4' ' ' TYR . . . . . 0.435 ' CE2' ' HB ' ' B' ' 2' ' ' THR . 79.5 m-85 -128.31 118.55 23.44 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.019 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.577 ' HA ' ' HB3' ' B' ' 54' ' ' ASP . 63.2 mttm -88.64 115.72 26.37 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.134 0.493 . . . . 10.0 110.243 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 14.4 mt -112.25 135.14 53.29 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.632 -0.713 . . . . 10.0 110.624 -178.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 57.2 t -118.74 125.14 74.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.282 179.213 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.459 HG12 ' HD2' ' B' ' 16' ' ' LYS . 6.5 t -92.99 119.4 40.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 109.52 -0.548 . . . . 10.0 109.52 179.723 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 11.7 m -121.43 154.09 25.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.442 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 153.53 174.72 24.09 Favored Glycine 0 N--CA 1.445 -0.763 0 N-CA-C 111.081 -0.808 . . . . 10.0 111.081 -179.302 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.44 -172.68 1.22 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.254 0.55 . . . . 10.0 111.766 -179.289 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -90.89 144.25 25.88 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.682 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 76.18 8.1 85.04 Favored Glycine 0 C--N 1.322 -0.244 0 C-N-CA 120.974 -0.631 . . . . 10.0 113.947 178.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.485 HG12 ' HB2' ' B' ' 83' ' ' ALA . 26.8 m -79.85 -29.75 13.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 117.069 0.435 . . . . 10.0 111.864 -179.611 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 111.13 26.91 4.44 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.608 -0.806 . . . . 10.0 113.578 179.101 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' LYS . . . . . 0.459 ' HD2' HG12 ' B' ' 8' ' ' VAL . 27.1 mtmm -62.96 -47.66 82.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.36 0.6 . . . . 10.0 110.771 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 3.5 m -73.59 -35.34 65.4 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.522 -0.763 . . . . 10.0 111.081 -178.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.82 -45.54 93.39 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.398 179.631 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 68.8 mt -61.94 -44.71 96.2 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 120.977 0.418 . . . . 10.0 110.879 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 16.8 m -64.84 -49.41 70.7 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.704 -0.68 . . . . 10.0 112.17 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 62.0 mt -58.17 -38.11 66.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-O 120.925 0.393 . . . . 10.0 111.321 -179.5 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' GLN . . . . . 0.535 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 11.1 mm-40 -62.62 -31.2 72.01 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.763 0.653 . . . . 10.0 112.763 -179.556 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 38.3 tp -92.17 -32.45 15.1 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.081 0.467 . . . . 10.0 111.611 -179.454 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.454 HD11 HD12 ' B' ' 55' ' ' ILE . 49.9 mm -81.2 -66.66 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.896 -179.529 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -85.17 -21.18 29.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.309 -0.405 . . . . 10.0 111.863 -177.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' ASN . . . . . 0.535 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 31.4 m-80 67.0 70.44 0.38 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 113.708 1.003 . . . . 10.0 113.708 178.196 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 4.9 p80 -177.42 155.0 1.05 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.768 178.355 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -97.29 130.0 44.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.053 0.454 . . . . 10.0 111.345 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 3.3 m -99.93 119.54 48.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.667 -0.697 . . . . 10.0 110.325 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -90.08 -26.02 20.47 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.446 0.641 . . . . 10.0 109.391 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.445 ' H ' ' HG2' ' B' ' 31' ' ' GLU . 0.5 OUTLIER -69.29 130.9 43.89 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.368 -0.833 . . . . 10.0 110.448 -179.765 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -88.07 108.58 19.31 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.944 0.402 . . . . 10.0 110.486 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -122.22 107.96 34.5 Favored Pre-proline 0 C--N 1.319 -0.756 0 CA-C-N 115.816 -0.629 . . . . 10.0 110.071 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo -68.24 86.03 0.42 Allowed 'Trans proline' 0 C--O 1.233 0.253 0 C-N-CA 122.742 2.295 . . . . 10.0 110.902 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 10.7 p -68.9 134.6 49.82 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.16 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 50.5 mm -78.61 -57.49 5.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 O-C-N 123.435 0.46 . . . . 10.0 110.334 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -156.51 101.38 2.01 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.062 -0.718 . . . . 10.0 109.062 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.84 122.65 48.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.657 -0.247 . . . . 10.0 111.219 -178.524 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 14.7 p -105.15 144.6 31.71 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.725 0.298 . . . . 10.0 110.851 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -137.65 140.44 40.85 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.461 -0.336 . . . . 10.0 110.267 -179.246 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.502 ' HD3' ' HA ' ' B' ' 54' ' ' ASP . 0.2 OUTLIER -123.73 125.24 44.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.766 0.317 . . . . 10.0 110.565 -179.878 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 64.4 tttt -145.88 142.46 28.8 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.466 -0.334 . . . . 10.0 110.822 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -105.56 116.19 31.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.374 -0.375 . . . . 10.0 110.664 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 11.8 m -127.47 167.22 22.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.07 -0.514 . . . . 10.0 110.728 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 42.4 t -104.87 106.07 19.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 109.858 -0.423 . . . . 10.0 109.858 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 56.7 mt -112.64 122.82 67.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.717 -179.274 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' ASP . . . . . 0.851 ' HB2' HH12 ' B' ' 164' ' ' ARG . 27.4 m-20 63.16 22.53 13.44 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.59 -0.732 . . . . 10.0 111.359 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.2 8.39 68.73 Favored Glycine 0 CA--C 1.52 0.347 0 C-N-CA 120.968 -0.634 . . . . 10.0 112.599 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.403 ' HB3' ' NH2' ' B' ' 164' ' ' ARG . 14.3 tt0 -119.21 130.82 55.68 Favored 'General case' 0 C--N 1.322 -0.595 0 O-C-N 122.839 -0.213 . . . . 10.0 110.686 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 30.0 m -75.4 117.74 17.52 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.649 -0.871 . . . . 10.0 108.649 178.767 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' CYS . . . . . 0.403 ' HB3' ' CD2' ' B' ' 4' ' ' TYR . 6.7 m -119.86 144.54 47.32 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.234 0.54 . . . . 10.0 112.456 -178.426 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 58.8 tp -99.42 108.2 20.62 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 107.572 -1.27 . . . . 10.0 107.572 177.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' LEU . . . . . 0.406 ' O ' ' HA ' ' B' ' 41' ' ' ARG . 36.8 mt -86.72 121.31 29.04 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 113.013 0.746 . . . . 10.0 113.013 -178.3 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 54' ' ' ASP . . . . . 0.577 ' HB3' ' HA ' ' B' ' 5' ' ' LYS . 15.3 t70 -105.34 89.91 3.26 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 107.277 -1.379 . . . . 10.0 107.277 177.762 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 55' ' ' ILE . . . . . 0.454 HD12 HD11 ' B' ' 24' ' ' ILE . 13.8 mt -92.37 142.62 12.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 112.159 0.429 . . . . 10.0 112.159 -177.257 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 35.3 tp -133.59 106.84 7.63 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.079 -0.509 . . . . 10.0 110.678 179.092 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -86.44 106.04 17.18 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.519 -0.548 . . . . 10.0 109.519 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 70.5 p -84.21 174.43 10.21 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.074 -0.512 . . . . 10.0 111.377 -178.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -97.38 134.72 40.27 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.052 0.454 . . . . 10.0 110.463 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -100.34 28.9 13.63 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.489 -0.862 . . . . 10.0 112.829 -179.279 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -89.12 1.65 55.29 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.424 0.154 . . . . 10.0 111.16 -179.269 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 68.28 -172.73 0.19 Allowed 'General case' 0 N--CA 1.466 0.351 0 O-C-N 123.818 0.699 . . . . 10.0 111.131 179.682 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 70.64 23.63 4.6 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 122.961 0.505 . . . . 10.0 111.237 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 64' ' ' TYR . . . . . 0.517 ' O ' ' HB2' ' B' ' 68' ' ' ARG . 58.2 m-85 -115.56 31.9 6.41 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.667 -0.697 . . . . 10.0 111.075 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 31.6 m -54.81 -33.82 61.98 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 112.997 0.74 . . . . 10.0 112.997 -179.04 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.46 -48.07 8.74 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 121.077 -0.249 . . . . 10.0 111.602 -179.603 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 11.4 mtp -65.71 -28.66 69.22 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 112.811 0.671 . . . . 10.0 112.811 -178.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 68' ' ' ARG . . . . . 0.654 ' HB3' HE22 ' B' ' 99' ' ' GLN . 5.9 ttp180 -60.93 -33.25 72.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.066 0.46 . . . . 10.0 111.004 -179.642 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -64.12 -26.99 68.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.309 -0.86 . . . . 10.0 111.763 -179.353 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -70.49 -65.5 0.72 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.753 0.649 . . . . 10.0 112.753 -179.017 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 71' ' ' TYR . . . . . 0.642 ' CZ ' ' HA ' ' B' ' 68' ' ' ARG . 20.3 p90 -66.99 -19.5 65.73 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 113.749 1.018 . . . . 10.0 113.749 -178.358 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 72' ' ' MET . . . . . 0.426 ' HE3' ' HG2' ' B' ' 68' ' ' ARG . 25.0 mtt -66.51 -29.66 69.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.352 0.596 . . . . 10.0 110.911 179.417 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 73' ' ' ARG . . . . . 0.721 ' HG3' HG12 ' B' ' 103' ' ' VAL . 16.8 mtm180 -87.1 -32.6 19.84 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.939 0.4 . . . . 10.0 110.975 179.516 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 1.5 m -71.79 -44.51 63.86 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.893 -0.594 . . . . 10.0 112.018 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -75.73 151.84 41.74 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.715 -0.755 . . . . 10.0 113.181 -178.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -105.31 -53.33 2.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.407 0.622 . . . . 10.0 109.583 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -98.0 125.12 8.41 Favored Glycine 0 N--CA 1.447 -0.632 0 CA-C-N 115.584 -0.735 . . . . 10.0 111.866 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 78' ' ' PHE . . . . . 0.729 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 98.0 m-85 -109.13 114.38 28.05 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.185 0.517 . . . . 10.0 111.308 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.512 ' HB2' HD22 ' B' ' 159' ' ' LEU . 17.8 tp -92.31 106.9 18.81 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.538 -0.755 . . . . 10.0 109.656 179.601 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 80' ' ' CYS . . . . . 0.764 ' HB3' HD12 ' B' ' 93' ' ' ILE . 52.5 m -85.33 98.46 10.55 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.454 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 81' ' ' VAL . . . . . 0.42 ' HA ' ' O ' ' B' ' 114' ' ' VAL . 39.7 t -99.26 123.28 51.85 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.158 -179.611 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -126.82 160.69 30.16 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.807 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.676 ' HB3' ' HB3' ' B' ' 86' ' ' ASN . . . -94.71 124.04 38.51 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.816 -0.629 . . . . 10.0 109.526 179.685 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 84' ' ' ILE . . . . . 0.612 HD13 ' HA ' ' B' ' 118' ' ' CYS . 19.6 pt -66.25 -16.43 20.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.712 0.291 . . . . 10.0 111.688 -179.452 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 18.2 p-10 -101.08 4.93 42.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.177 0.513 . . . . 10.0 110.764 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.676 ' HB3' ' HB3' ' B' ' 83' ' ' ALA . 42.4 t30 -134.54 91.73 2.82 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.959 -0.564 . . . . 10.0 109.88 179.456 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 87' ' ' THR . . . . . 0.463 ' O ' ' HG3' ' B' ' 91' ' ' GLU . 0.3 OUTLIER -57.69 -30.05 65.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.833 -0.621 . . . . 10.0 111.913 -178.736 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 24.0 tptp -58.93 -43.63 91.2 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.469 -0.332 . . . . 10.0 111.055 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 90.1 p -66.59 -23.4 66.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.085 0.469 . . . . 10.0 110.743 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -79.64 -37.04 36.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.834 -0.621 . . . . 10.0 109.467 178.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 91' ' ' GLU . . . . . 0.463 ' HG3' ' O ' ' B' ' 87' ' ' THR . 48.4 mt-10 -70.6 -35.15 72.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.799 -0.637 . . . . 10.0 109.656 179.051 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -65.33 -19.51 65.99 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.684 -0.689 . . . . 10.0 111.19 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 93' ' ' ILE . . . . . 0.764 HD12 ' HB3' ' B' ' 80' ' ' CYS . 33.3 mm -60.27 -37.33 73.39 Favored 'Isoleucine or valine' 0 C--O 1.236 0.373 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.119 179.459 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 79.9 t60 -67.65 -43.17 80.91 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 109.609 -0.515 . . . . 10.0 109.609 178.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 38.1 m80 -59.93 -45.05 93.84 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.54 -0.754 . . . . 10.0 109.888 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 96' ' ' TYR . . . . . 0.433 ' O ' HG13 ' B' ' 100' ' ' ILE . 8.1 m-85 -57.6 -50.78 72.01 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.76 -0.655 . . . . 10.0 110.529 179.376 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 55.7 ttt-85 -59.34 -43.21 92.79 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.96 -0.564 . . . . 10.0 111.553 -179.297 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -60.0 -34.87 73.92 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.012 0.375 . . . . 10.0 112.012 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 99' ' ' GLN . . . . . 0.654 HE22 ' HB3' ' B' ' 68' ' ' ARG . 26.8 tt0 -77.94 -40.78 38.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.556 0.217 . . . . 10.0 110.969 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 100' ' ' ILE . . . . . 0.433 HG13 ' O ' ' B' ' 96' ' ' TYR . 96.6 mt -55.2 -45.68 77.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 CA-C-O 121.098 0.475 . . . . 10.0 110.759 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 101' ' ' LYS . . . . . 0.423 ' HE3' ' HB2' ' B' ' 101' ' ' LYS . 38.0 mtmt -63.58 -26.65 68.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.746 -0.661 . . . . 10.0 112.192 -179.613 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 27.8 ttm180 -81.86 -43.16 18.6 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.045 0.45 . . . . 10.0 110.62 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 103' ' ' VAL . . . . . 0.721 HG12 ' HG3' ' B' ' 73' ' ' ARG . 60.8 t -67.57 -41.69 86.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.005 -0.543 . . . . 10.0 111.791 -179.193 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -92.0 -6.82 50.47 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.741 0.305 . . . . 10.0 111.31 -179.335 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 27.0 t0 51.65 60.67 3.68 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.752 -0.658 . . . . 10.0 111.581 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 5.9 t -178.48 145.19 0.32 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.465 -0.789 . . . . 10.0 109.626 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -89.79 -21.47 22.61 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.337 -0.616 . . . . 10.0 109.337 179.04 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.32 88.81 7.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.615 -0.721 . . . . 10.0 110.697 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 65.3 t -132.23 128.81 21.42 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 115.96 -0.564 . . . . 10.0 109.725 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -56.8 104.87 0.15 Allowed 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.861 2.374 . . . . 10.0 111.786 179.293 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 111' ' ' MET . . . . . 0.729 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 59.4 mtm -135.09 149.3 50.04 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.768 -179.188 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 112' ' ' VAL . . . . . 0.451 HG13 ' HG2' ' B' ' 140' ' ' PRO . 88.4 t -136.63 135.14 49.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 109.088 -0.708 . . . . 10.0 109.088 179.555 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 113' ' ' LEU . . . . . 0.433 ' O ' ' HA ' ' B' ' 141' ' ' PHE . 24.8 tp -95.0 123.92 38.75 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.574 -0.528 . . . . 10.0 109.574 179.204 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 114' ' ' VAL . . . . . 0.436 HG22 ' HB ' ' B' ' 142' ' ' ILE . 37.3 t -133.46 131.84 57.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.896 0.379 . . . . 10.0 111.887 -178.707 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -104.25 136.5 13.06 Favored Glycine 0 N--CA 1.449 -0.464 0 N-CA-C 110.038 -1.225 . . . . 10.0 110.038 178.534 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -108.22 159.93 16.23 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 117.093 0.447 . . . . 10.0 111.458 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 117' ' ' LYS . . . . . 0.79 ' HB3' HD12 ' B' ' 120' ' ' LEU . 72.4 mttt 64.75 33.63 10.18 Favored 'General case' 0 N--CA 1.466 0.373 0 O-C-N 123.726 0.641 . . . . 10.0 111.379 179.516 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 118' ' ' CYS . . . . . 0.612 ' HA ' HD13 ' B' ' 84' ' ' ILE . 74.4 m -67.56 -11.95 59.24 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.713 0.634 . . . . 10.0 112.713 -179.641 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -86.93 -11.2 51.33 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.765 0.317 . . . . 10.0 110.464 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 120' ' ' LEU . . . . . 0.79 HD12 ' HB3' ' B' ' 117' ' ' LYS . 81.6 mt -88.51 137.18 30.65 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.006 179.328 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_endo -77.04 173.42 14.47 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 122.92 2.413 . . . . 10.0 113.26 -178.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 46.7 m 66.02 52.68 1.17 Allowed 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.369 -0.832 . . . . 10.0 112.522 179.419 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 123' ' ' ARG . . . . . 0.501 ' HB3' HD12 ' B' ' 84' ' ' ILE . 13.9 ptp180 -84.4 142.47 30.11 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.434 179.499 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 5.8 p -90.97 -47.11 7.77 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 110.213 -0.292 . . . . 10.0 110.213 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 47.8 t -80.83 110.04 15.89 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 N-CA-C 109.456 -0.572 . . . . 10.0 109.456 179.081 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -69.51 144.83 53.06 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.828 -0.623 . . . . 10.0 110.199 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.78 -38.48 64.51 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.883 -0.598 . . . . 10.0 112.026 -179.71 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 128' ' ' LYS . . . . . 0.658 ' HG2' ' H ' ' C' ' 47' ' ' ASP . 1.3 mppt? -63.58 -51.8 63.78 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 112.57 0.581 . . . . 10.0 112.57 -178.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -64.09 -34.75 78.74 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.798 0.295 . . . . 10.0 111.798 -179.526 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.24 -39.2 86.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.206 0.527 . . . . 10.0 109.887 179.375 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -72.24 -37.77 69.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.78 -0.645 . . . . 10.0 110.825 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -62.72 -43.56 98.48 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.248 -0.433 . . . . 10.0 111.179 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 27.7 tp -61.82 -40.2 94.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.143 0.497 . . . . 10.0 110.206 179.419 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -67.39 -36.44 81.31 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.726 -0.67 . . . . 10.0 109.745 179.259 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -63.72 -38.81 92.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.624 -0.716 . . . . 10.0 109.678 178.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 22.0 t -61.96 -35.25 77.88 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.434 -0.803 . . . . 10.0 111.534 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -92.04 -16.2 26.79 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.293 0.479 . . . . 10.0 112.293 -179.275 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 84.27 32.1 23.68 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.641 -0.79 . . . . 10.0 112.346 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 23.0 pt -118.33 153.47 51.71 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-O 120.684 0.278 . . . . 10.0 110.815 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 140' ' ' PRO . . . . . 0.451 ' HG2' HG13 ' B' ' 112' ' ' VAL . 75.1 Cg_endo -79.09 151.32 23.65 Favored 'Trans proline' 0 N--CA 1.463 -0.32 0 C-N-CA 122.414 2.076 . . . . 10.0 111.83 179.41 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 141' ' ' PHE . . . . . 0.433 ' HA ' ' O ' ' B' ' 113' ' ' LEU . 74.8 t80 -123.58 130.5 52.76 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.101 179.45 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 142' ' ' ILE . . . . . 0.436 ' HB ' HG22 ' B' ' 114' ' ' VAL . 26.1 mt -130.33 132.4 64.93 Favored 'Isoleucine or valine' 0 C--O 1.237 0.416 0 CA-C-N 116.206 -0.452 . . . . 10.0 111.261 -179.261 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -89.35 125.9 35.32 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.943 -0.762 . . . . 10.0 108.943 178.326 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 60.6 p -132.07 -180.0 5.75 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.798 0.809 . . . . 10.0 112.449 -178.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 8.7 t -162.66 122.41 2.31 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 114.897 -1.047 . . . . 10.0 108.317 179.326 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.3 -28.39 61.16 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.946 -0.761 . . . . 10.0 108.946 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -62.0 -46.23 90.13 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.895 -1.048 . . . . 10.0 111.116 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 4.6 p -98.96 -11.06 21.93 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 112.146 0.424 . . . . 10.0 112.146 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.99 17.48 10.12 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.445 0.698 . . . . 10.0 112.564 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -87.63 137.87 31.96 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.086 -0.506 . . . . 10.0 111.32 -179.218 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 84.05 -14.88 41.46 Favored Glycine 0 C--N 1.332 0.313 0 CA-C-N 116.006 -0.543 . . . . 10.0 113.659 178.218 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 20.1 t -63.38 -37.72 80.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.661 0.267 . . . . 10.0 111.575 -178.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -61.26 -48.8 79.76 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 121.113 0.482 . . . . 10.0 110.074 179.546 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -63.52 -40.11 96.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.599 -0.728 . . . . 10.0 110.915 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -56.92 -50.54 72.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.373 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -69.89 -40.6 75.57 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.086 -0.506 . . . . 10.0 111.975 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 4.5 m-30 -64.89 -44.79 88.46 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.91 0.386 . . . . 10.0 110.716 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 158' ' ' THR . . . . . 0.428 ' O ' ' HG2' ' B' ' 162' ' ' GLU . 58.7 m -65.42 -31.71 72.95 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.076 -0.511 . . . . 10.0 111.301 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 159' ' ' LEU . . . . . 0.512 HD22 ' HB2' ' B' ' 79' ' ' LEU . 29.9 tp -61.59 -40.88 96.37 Favored 'General case' 0 C--N 1.334 -0.094 0 N-CA-C 109.548 -0.538 . . . . 10.0 109.548 178.681 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 79.8 t -74.14 -34.98 39.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.607 -0.724 . . . . 10.0 109.269 178.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -59.74 -42.24 92.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.435 -0.802 . . . . 10.0 110.287 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 162' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' B' ' 158' ' ' THR . 26.7 mm-40 -67.97 -34.68 77.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.781 179.456 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 163' ' ' ILE . . . . . 0.474 HG13 ' O ' ' B' ' 159' ' ' LEU . 78.9 mt -62.06 -46.63 96.04 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 N-CA-C 109.145 -0.687 . . . . 10.0 109.145 178.295 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 164' ' ' ARG . . . . . 0.851 HH12 ' HB2' ' B' ' 47' ' ' ASP . 43.9 mtt180 -62.11 -42.67 99.46 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 115.546 -0.752 . . . . 10.0 109.037 178.533 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt . . . . . 0 N--CA 1.45 -0.458 0 CA-C-N 115.425 -0.807 . . . . 10.0 110.131 178.583 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 CA--C 1.528 0.131 0 CA-C-O 121.256 0.551 . . . . 10.0 110.65 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 2' ' ' THR . . . . . 0.406 ' HB ' ' CE2' ' C' ' 4' ' ' TYR . 0.0 OUTLIER -111.02 114.43 27.73 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.9 -0.591 . . . . 10.0 109.851 179.736 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 3' ' ' GLU . . . . . 0.43 ' HA ' ' HB3' ' C' ' 52' ' ' LEU . 4.7 tt0 -82.37 143.21 31.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.409 -0.36 . . . . 10.0 111.331 -179.48 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 4' ' ' TYR . . . . . 0.406 ' CE2' ' HB ' ' C' ' 2' ' ' THR . 96.7 m-85 -138.57 119.21 14.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.087 -0.506 . . . . 10.0 109.687 179.342 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 5' ' ' LYS . . . . . 0.727 ' HA ' ' HB3' ' C' ' 54' ' ' ASP . 52.4 mttm -82.47 113.15 20.02 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.037 0.446 . . . . 10.0 111.473 -179.31 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 14.2 mt -111.51 120.85 43.5 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.758 -0.655 . . . . 10.0 110.314 -179.399 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 59.9 t -106.82 126.61 62.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.481 -0.327 . . . . 10.0 110.828 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 3.4 t -89.95 121.92 40.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.191 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 28.9 m -125.37 153.56 33.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.642 0.258 . . . . 10.0 110.812 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 159.86 -175.64 36.67 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.769 -0.729 . . . . 10.0 111.886 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -89.34 -167.04 1.75 Allowed 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 110.491 -0.188 . . . . 10.0 110.491 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.38 141.28 28.63 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.886 0.374 . . . . 10.0 111.502 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 79.96 1.9 88.01 Favored Glycine 0 N--CA 1.452 -0.276 0 CA-C-N 115.961 -0.563 . . . . 10.0 113.85 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 34.5 m -73.46 -32.44 36.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 N-CA-C 112.273 0.472 . . . . 10.0 112.273 -179.258 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 110.78 36.26 1.9 Allowed Glycine 0 C--N 1.333 0.396 0 C-N-CA 120.645 -0.788 . . . . 10.0 113.696 179.265 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 9.4 mtmm -64.49 -47.74 77.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.199 0.523 . . . . 10.0 109.93 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 1.6 m -66.99 -45.35 77.86 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.621 -0.718 . . . . 10.0 110.76 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.36 -54.87 30.43 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 112.463 0.542 . . . . 10.0 112.463 -179.499 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 46.6 mt -58.62 -38.82 78.85 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.099 0.476 . . . . 10.0 111.878 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 13.3 m -71.56 -44.71 64.05 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.071 -0.513 . . . . 10.0 111.399 -179.38 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.02 -34.36 66.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.908 0.385 . . . . 10.0 111.012 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 22' ' ' GLN . . . . . 0.542 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 4.8 mm-40 -61.78 -32.93 73.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.646 179.636 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 4.0 tp -86.07 -24.57 26.27 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.195 0.522 . . . . 10.0 111.134 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 49.9 mm -91.87 -66.75 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 112.395 0.517 . . . . 10.0 112.395 -178.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -86.33 -10.83 53.68 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 112.433 0.531 . . . . 10.0 112.433 -178.626 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 26' ' ' ASN . . . . . 0.542 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 42.4 m-80 64.26 44.3 4.43 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 113.881 1.067 . . . . 10.0 113.881 178.038 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -154.63 154.26 32.69 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.361 0.504 . . . . 10.0 112.361 179.008 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -87.88 138.56 31.35 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.856 -0.611 . . . . 10.0 110.53 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 19.2 m -89.8 155.77 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.989 0.423 . . . . 10.0 111.026 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -128.94 7.5 5.57 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.411 0.624 . . . . 10.0 109.724 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -129.63 141.96 50.83 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.456 -0.793 . . . . 10.0 109.15 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -67.56 128.77 37.68 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.824 -0.35 . . . . 10.0 110.455 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -112.97 95.0 32.41 Favored Pre-proline 0 C--O 1.237 0.44 0 CA-C-N 116.333 -0.394 . . . . 10.0 111.799 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_endo -79.37 78.04 3.86 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.696 2.264 . . . . 10.0 111.258 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.47 116.7 25.76 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.752 -0.658 . . . . 10.0 111.417 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 36' ' ' ILE . . . . . 0.568 ' HA ' ' HB2' ' C' ' 59' ' ' ALA . 50.7 mm -68.3 -44.84 83.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.17 -0.678 . . . . 10.0 109.17 179.439 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -164.84 104.06 0.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.628 -0.715 . . . . 10.0 110.421 178.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 38' ' ' ASP . . . . . 0.501 ' HB3' ' HB3' ' C' ' 57' ' ' ASP . 14.9 t0 -109.58 157.83 18.64 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.646 -0.706 . . . . 10.0 109.883 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -138.71 131.82 29.82 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.982 0.42 . . . . 10.0 111.749 -179.188 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -132.3 141.44 48.97 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.169 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 41' ' ' ARG . . . . . 0.462 ' HA ' ' O ' ' C' ' 53' ' ' LEU . 0.0 OUTLIER -127.59 125.68 40.71 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.347 -0.388 . . . . 10.0 110.298 179.381 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 50.5 tttt -144.6 131.16 19.92 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.229 -0.441 . . . . 10.0 110.541 -179.632 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -100.01 110.35 22.66 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.9 0.381 . . . . 10.0 110.747 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 14.6 m -126.69 160.73 34.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.721 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 45.2 t -91.06 114.36 28.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.504 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 55.7 mt -122.23 121.61 64.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.968 -0.56 . . . . 10.0 109.719 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 47' ' ' ASP . . . . . 0.658 ' H ' ' HG2' ' B' ' 128' ' ' LYS . 23.3 m-20 61.58 26.03 15.82 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.766 -0.652 . . . . 10.0 111.674 179.743 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.21 -5.46 84.23 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.999 -0.62 . . . . 10.0 111.954 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -103.58 138.58 40.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.796 0.331 . . . . 10.0 110.669 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.43 105.81 15.54 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.388 -0.968 . . . . 10.0 108.388 178.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 3.8 m -110.34 143.98 39.76 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.841 0.682 . . . . 10.0 112.841 -177.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 52' ' ' LEU . . . . . 0.43 ' HB3' ' HA ' ' C' ' 3' ' ' GLU . 51.7 tp -103.41 110.35 22.33 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.064 -1.088 . . . . 10.0 108.064 178.464 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 53' ' ' LEU . . . . . 0.462 ' O ' ' HA ' ' C' ' 41' ' ' ARG . 21.5 mt -78.46 111.14 14.18 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 112.489 0.551 . . . . 10.0 112.489 -178.193 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 54' ' ' ASP . . . . . 0.727 ' HB3' ' HA ' ' C' ' 5' ' ' LYS . 13.1 t70 -96.56 80.0 3.08 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.084 -1.45 . . . . 10.0 107.084 177.385 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 7.3 mt -84.16 131.89 32.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.73 -0.668 . . . . 10.0 112.225 -176.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 24.8 tp -124.49 103.24 8.06 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.092 -0.504 . . . . 10.0 110.348 178.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 57' ' ' ASP . . . . . 0.501 ' HB3' ' HB3' ' C' ' 38' ' ' ASP . 14.1 t70 -86.4 103.72 15.22 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.001 -0.545 . . . . 10.0 109.753 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 68.0 p -87.88 178.57 6.66 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.038 -0.528 . . . . 10.0 111.729 -178.501 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 59' ' ' ALA . . . . . 0.568 ' HB2' ' HA ' ' C' ' 36' ' ' ILE . . . -78.3 170.89 15.89 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.75 -0.659 . . . . 10.0 110.546 178.777 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -136.95 18.09 3.58 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.283 -0.961 . . . . 10.0 112.809 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -98.81 9.39 43.53 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.766 0.317 . . . . 10.0 111.34 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 58.56 -157.05 0.32 Allowed 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.609 -0.723 . . . . 10.0 112.224 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 65.29 23.59 12.15 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 121.288 0.566 . . . . 10.0 110.789 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 64' ' ' TYR . . . . . 0.637 ' HB3' ' HB3' ' C' ' 67' ' ' MET . 18.3 m-85 -132.3 41.6 3.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.486 -0.779 . . . . 10.0 111.054 -179.192 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 1.1 m -55.71 -47.53 76.7 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.295 -0.411 . . . . 10.0 111.997 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -74.98 -26.19 59.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.829 0.347 . . . . 10.0 111.786 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 67' ' ' MET . . . . . 0.637 ' HB3' ' HB3' ' C' ' 64' ' ' TYR . 24.6 ttt -75.89 -45.91 32.92 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.25 0.548 . . . . 10.0 110.119 179.669 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 68' ' ' ARG . . . . . 0.687 ' HA ' ' CZ ' ' C' ' 71' ' ' TYR . 26.0 ttp-105 -65.17 -29.5 70.33 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.323 -0.853 . . . . 10.0 109.99 179.723 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.29 -14.23 47.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 114.993 -1.003 . . . . 10.0 111.24 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 70' ' ' GLN . . . . . 0.55 ' HA ' ' NH2' ' C' ' 73' ' ' ARG . 25.4 tt0 -85.45 -65.08 1.05 Allowed 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.321 0.489 . . . . 10.0 112.321 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 71' ' ' TYR . . . . . 0.687 ' CZ ' ' HA ' ' C' ' 68' ' ' ARG . 3.5 p90 -63.75 -15.93 59.85 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 113.67 0.989 . . . . 10.0 113.67 -178.795 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 72' ' ' MET . . . . . 0.496 ' HA ' ' HZ ' ' C' ' 78' ' ' PHE . 25.3 mtt -65.99 -28.4 68.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.236 0.541 . . . . 10.0 110.002 178.451 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 73' ' ' ARG . . . . . 0.55 ' NH2' ' HA ' ' C' ' 70' ' ' GLN . 21.6 mtm180 -81.25 -35.28 31.37 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.905 -0.589 . . . . 10.0 109.969 179.448 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 1.5 m -74.07 -47.5 36.17 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.09 -0.504 . . . . 10.0 110.889 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.81 137.61 48.43 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.741 -0.663 . . . . 10.0 113.843 -179.084 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -99.2 -42.0 7.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.263 0.554 . . . . 10.0 109.876 179.386 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -116.16 137.27 13.55 Favored Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 111.013 -0.835 . . . . 10.0 111.013 179.631 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 78' ' ' PHE . . . . . 0.773 ' HB2' ' HG2' ' C' ' 111' ' ' MET . 79.0 m-85 -117.11 128.42 55.11 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.886 0.374 . . . . 10.0 111.583 -179.43 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 79' ' ' LEU . . . . . 0.447 HD13 HD22 ' C' ' 159' ' ' LEU . 12.3 tp -97.73 104.96 17.03 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.135 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 80' ' ' CYS . . . . . 0.43 ' HB3' HD12 ' C' ' 93' ' ' ILE . 70.2 m -81.56 85.5 6.51 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.262 0.553 . . . . 10.0 110.944 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 44.8 t -93.65 130.57 42.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.748 -0.66 . . . . 10.0 110.614 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 82' ' ' PHE . . . . . 0.673 ' HB3' HD11 ' C' ' 93' ' ' ILE . 40.4 p90 -138.68 169.08 18.43 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.391 -0.596 . . . . 10.0 109.391 178.497 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 83' ' ' ALA . . . . . 0.505 ' HB3' ' HB3' ' C' ' 86' ' ' ASN . . . -105.87 126.74 52.53 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.794 -0.447 . . . . 10.0 109.794 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 84' ' ' ILE . . . . . 0.592 HD13 ' HA ' ' C' ' 118' ' ' CYS . 20.6 pt -65.68 -14.95 17.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.895 0.379 . . . . 10.0 111.648 -179.296 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 28.1 p-10 -105.04 12.51 32.13 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.197 0.522 . . . . 10.0 110.369 179.17 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 86' ' ' ASN . . . . . 0.505 ' HB3' ' HB3' ' C' ' 83' ' ' ALA . 19.8 t-20 -134.02 95.52 3.45 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.055 179.387 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.96 -30.02 68.81 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.026 -0.534 . . . . 10.0 112.375 -179.087 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -62.51 -44.58 96.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.154 -0.476 . . . . 10.0 110.964 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 85.0 p -64.7 -27.93 69.25 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.675 0.25 . . . . 10.0 111.675 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -70.08 -37.55 75.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.971 0.415 . . . . 10.0 110.055 179.307 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -72.83 -30.36 63.97 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.563 -0.532 . . . . 10.0 109.563 178.675 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -64.56 -24.6 67.65 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.395 -0.82 . . . . 10.0 111.111 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 93' ' ' ILE . . . . . 0.673 HD11 ' HB3' ' C' ' 82' ' ' PHE . 47.2 mm -54.26 -45.01 67.44 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-O 120.994 0.426 . . . . 10.0 110.976 179.489 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -70.17 -40.84 74.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.959 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -58.22 -46.67 85.48 Favored 'General case' 0 C--O 1.236 0.35 0 O-C-N 123.509 0.506 . . . . 10.0 110.793 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -65.92 -47.93 73.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.978 -0.555 . . . . 10.0 111.312 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 28.5 ttt180 -56.43 -42.29 77.81 Favored 'General case' 0 N--CA 1.462 0.16 0 O-C-N 123.434 0.459 . . . . 10.0 110.883 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -59.91 -44.12 94.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.665 -0.698 . . . . 10.0 111.556 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -67.05 -44.19 80.8 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.918 -0.313 . . . . 10.0 110.436 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 68.8 mt -56.4 -47.08 82.03 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 CA-C-O 121.138 0.494 . . . . 10.0 110.759 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 38.5 mtmt -60.32 -37.58 81.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.545 -0.752 . . . . 10.0 111.843 -179.51 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 13.8 ttm180 -74.47 -45.72 44.35 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.229 -0.441 . . . . 10.0 110.839 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 103' ' ' VAL . . . . . 0.401 ' CG1' ' HG3' ' C' ' 73' ' ' ARG . 55.7 t -60.97 -50.57 80.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.9 -0.591 . . . . 10.0 112.398 -179.315 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -84.14 -10.69 57.57 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 121.128 -0.229 . . . . 10.0 111.504 -179.406 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 32.0 t70 54.69 56.3 6.91 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.513 0.673 . . . . 10.0 111.036 -179.292 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 38.8 t -153.68 139.3 17.86 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.2 -0.909 . . . . 10.0 110.009 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -81.19 -39.68 25.07 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.442 -0.577 . . . . 10.0 109.442 179.339 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -91.29 109.74 21.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.736 -0.666 . . . . 10.0 110.611 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 109' ' ' VAL . . . . . 0.422 ' HA ' ' HD3' ' C' ' 110' ' ' PRO . 62.1 t -129.67 131.18 23.39 Favored Pre-proline 0 C--N 1.323 -0.556 0 N-CA-C 109.777 -0.453 . . . . 10.0 109.777 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 110' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' C' ' 109' ' ' VAL . 22.7 Cg_exo -65.59 99.38 0.37 Allowed 'Trans proline' 0 C--O 1.236 0.397 0 C-N-CA 122.399 2.066 . . . . 10.0 111.407 179.176 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 111' ' ' MET . . . . . 0.773 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 36.5 mtm -133.41 154.69 50.55 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.574 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 89.7 t -131.9 132.87 61.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.87 -0.605 . . . . 10.0 109.73 179.254 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 14.6 tp -87.81 117.5 26.69 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.578 -0.527 . . . . 10.0 109.578 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 54.4 t -117.08 120.28 64.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 112.075 0.398 . . . . 10.0 112.075 -178.176 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -100.07 111.35 4.16 Favored Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 110.097 -1.201 . . . . 10.0 110.097 178.328 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -93.54 160.83 14.61 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 117.149 0.475 . . . . 10.0 112.029 -178.374 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 87.8 mttt 62.28 39.4 12.48 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.559 -0.746 . . . . 10.0 112.369 178.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 118' ' ' CYS . . . . . 0.592 ' HA ' HD13 ' C' ' 84' ' ' ILE . 97.0 m -70.26 -13.74 62.3 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.725 0.639 . . . . 10.0 112.725 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -88.76 -0.04 56.94 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.089 0.403 . . . . 10.0 112.089 -179.143 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 35.9 mt -84.96 134.87 40.51 Favored Pre-proline 0 C--N 1.331 -0.206 0 CA-C-N 116.5 -0.318 . . . . 10.0 110.54 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -70.11 150.29 65.89 Favored 'Trans proline' 0 C--O 1.233 0.273 0 C-N-CA 122.581 2.187 . . . . 10.0 112.392 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 15.1 m 62.18 75.81 0.39 Allowed 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.78 -0.645 . . . . 10.0 112.418 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 123' ' ' ARG . . . . . 0.423 ' CB ' HD12 ' C' ' 84' ' ' ILE . 14.2 ptp180 -89.6 153.29 20.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.839 -0.619 . . . . 10.0 110.321 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.32 -25.22 14.31 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.889 0.376 . . . . 10.0 111.323 179.763 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 61.4 t -105.55 114.61 45.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.395 -0.366 . . . . 10.0 111.033 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -75.87 147.4 39.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.045 -0.525 . . . . 10.0 109.819 179.191 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 127' ' ' THR . . . . . 0.539 HG23 ' HE2' ' C' ' 141' ' ' PHE . 1.9 m -60.27 -40.15 89.33 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.191 0.519 . . . . 10.0 110.287 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 128' ' ' LYS . . . . . 0.674 ' HB3' ' HA ' ' B' ' 47' ' ' ASP . 14.9 mtmt -60.17 -44.89 94.67 Favored 'General case' 0 C--O 1.219 -0.507 0 CA-C-N 115.469 -0.787 . . . . 10.0 110.927 179.531 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -68.69 -34.58 75.91 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.792 0.33 . . . . 10.0 111.072 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.99 -46.74 70.46 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.176 -0.465 . . . . 10.0 109.754 179.164 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -70.53 -29.3 65.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.713 179.077 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -61.77 -44.0 97.74 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.09 -0.708 . . . . 10.0 109.09 178.299 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 15.6 tp -70.61 -44.23 67.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.145 -0.934 . . . . 10.0 110.056 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.29 -38.29 86.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.404 -0.817 . . . . 10.0 111.091 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 135' ' ' ARG . . . . . 0.447 HH11 ' HD2' ' C' ' 135' ' ' ARG . 14.8 ttm105 -58.11 -46.5 85.45 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.14 -0.482 . . . . 10.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 1.6 m -70.96 -25.22 62.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 10.0 112.024 -179.131 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 14.2 m-30 -88.43 -17.12 31.11 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.013 0.375 . . . . 10.0 112.013 -179.155 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 84.63 12.39 75.23 Favored Glycine 0 C--N 1.33 0.203 0 C-N-CA 121.04 -0.6 . . . . 10.0 112.714 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 48.1 pt -106.51 153.22 40.69 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-O 120.712 0.292 . . . . 10.0 110.96 -179.314 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -90.69 139.0 2.64 Favored 'Trans proline' 0 N--CA 1.456 -0.682 0 C-N-CA 122.535 2.157 . . . . 10.0 111.805 179.203 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 141' ' ' PHE . . . . . 0.539 ' HE2' HG23 ' C' ' 127' ' ' THR . 46.8 t80 -109.17 130.94 55.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.337 -0.392 . . . . 10.0 110.326 179.378 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 48.5 mt -127.67 131.49 69.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.373 -0.376 . . . . 10.0 110.41 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -81.97 125.2 30.5 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 108.934 -0.765 . . . . 10.0 108.934 178.151 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 144' ' ' THR . . . . . 0.462 HG22 ' HA3' ' C' ' 151' ' ' GLY . 79.8 p -132.34 -179.91 5.72 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.051 0.453 . . . . 10.0 112.045 -178.518 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 9.7 t -166.73 117.11 0.92 Allowed 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.111 -0.95 . . . . 10.0 109.313 178.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -70.65 -22.79 62.46 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.33 -0.618 . . . . 10.0 109.33 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -69.34 -35.72 76.2 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.159 -0.928 . . . . 10.0 111.37 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 148' ' ' THR . . . . . 0.416 ' O ' ' HB3' ' C' ' 149' ' ' ARG . 1.1 p -107.16 -7.06 16.96 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 113.109 0.781 . . . . 10.0 113.109 -179.244 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 149' ' ' ARG . . . . . 0.416 ' HB3' ' O ' ' C' ' 148' ' ' THR . 12.6 tpt180 72.35 -4.33 2.06 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 121.593 0.711 . . . . 10.0 111.553 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -70.62 129.84 40.24 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.043 -0.526 . . . . 10.0 111.621 -179.114 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 151' ' ' GLY . . . . . 0.462 ' HA3' HG22 ' C' ' 144' ' ' THR . . . 83.67 -18.44 19.99 Favored Glycine 0 CA--C 1.517 0.209 0 CA-C-N 115.655 -0.702 . . . . 10.0 114.621 178.235 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 59.8 t -53.19 -52.39 31.01 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 CA-C-N 117.062 0.431 . . . . 10.0 111.633 -179.05 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -59.09 -47.41 85.36 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.864 -0.607 . . . . 10.0 111.68 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -59.81 -45.6 91.86 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.835 -0.62 . . . . 10.0 111.913 -178.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -57.86 -49.89 75.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.453 -0.339 . . . . 10.0 111.697 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -63.9 -45.01 91.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.416 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -63.86 -41.65 97.72 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.884 -0.598 . . . . 10.0 111.698 -179.132 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 158' ' ' THR . . . . . 0.493 ' O ' ' HG2' ' C' ' 162' ' ' GLU . 89.8 m -61.2 -40.74 95.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.261 -0.427 . . . . 10.0 111.316 179.74 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 159' ' ' LEU . . . . . 0.447 HD22 HD13 ' C' ' 79' ' ' LEU . 31.7 tp -59.82 -43.83 94.33 Favored 'General case' 0 CA--C 1.521 -0.137 0 CA-C-O 120.905 0.383 . . . . 10.0 111.061 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 72.1 t -63.31 -43.55 98.68 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.362 179.203 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 161' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' C' ' 161' ' ' ARG . 22.7 ttp180 -64.72 -33.77 76.73 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.486 -0.779 . . . . 10.0 110.923 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 162' ' ' GLU . . . . . 0.493 ' HG2' ' O ' ' C' ' 158' ' ' THR . 56.9 mm-40 -63.79 -41.43 97.92 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.947 0.403 . . . . 10.0 110.19 178.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 163' ' ' ILE . . . . . 0.427 HG13 ' O ' ' C' ' 159' ' ' LEU . 61.4 mt -64.07 -45.69 95.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.93 -0.577 . . . . 10.0 109.503 179.245 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 37.3 ttm180 -63.49 -37.44 87.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.915 -0.584 . . . . 10.0 109.706 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -61.63 -51.24 69.3 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.6 -0.727 . . . . 10.0 109.863 179.066 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 38.2 t-80 -60.38 -49.0 79.34 Favored 'General case' 0 C--O 1.223 -0.32 0 CA-C-N 116.158 -0.473 . . . . 10.0 111.298 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 98.0 mttt . . . . . 0 C--N 1.328 -0.335 0 N-CA-C 112.388 0.514 . . . . 10.0 112.388 -179.256 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 60.6 tttm . . . . . 0 C--O 1.227 -0.13 0 N-CA-C 112.158 0.429 . . . . 10.0 112.158 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 89.0 mt -58.18 -46.97 84.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.573 -0.285 . . . . 10.0 111.568 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 75.5 mt -64.97 -43.06 93.9 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.985 0.421 . . . . 10.0 111.282 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -68.34 -43.48 77.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 10.0 111.071 -179.597 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -68.36 -36.16 78.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.846 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 62.2 t90 -63.95 -35.83 81.97 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.153 0.501 . . . . 10.0 110.033 178.625 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -59.38 -37.06 76.99 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.84 -0.618 . . . . 10.0 110.615 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 8.4 m -64.8 -37.66 88.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.011 -0.541 . . . . 10.0 110.165 178.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 9.8 t -71.81 -34.16 50.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 108.811 -0.811 . . . . 10.0 108.811 178.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 23.5 m -64.89 -47.25 78.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.54 -0.755 . . . . 10.0 111.093 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.21 -41.5 99.16 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.701 -0.481 . . . . 10.0 109.701 179.239 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 213' ' ' THR . . . . . 0.511 ' O ' ' HG ' ' A' ' 217' ' ' LEU . 40.7 m -61.67 -47.88 83.34 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.935 -0.575 . . . . 10.0 109.748 178.674 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -56.1 -43.52 78.15 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 121.103 0.478 . . . . 10.0 110.334 179.142 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 17.3 m -60.11 -49.53 77.28 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.537 -0.756 . . . . 10.0 110.765 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 31.3 mttt -68.8 -34.05 74.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.748 0.308 . . . . 10.0 111.172 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 217' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 213' ' ' THR . 50.0 mt -61.93 -42.85 99.57 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.637 -0.505 . . . . 10.0 109.637 178.597 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 218' ' ' ARG . . . . . 0.433 ' HA ' ' HB2' ' A' ' 221' ' ' LEU . 64.0 mtt180 -69.39 -32.83 72.1 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.231 179.039 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -64.41 -39.85 94.63 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.668 -0.494 . . . . 10.0 109.668 178.72 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 220' ' ' GLN . . . . . 0.4 ' O ' HG23 ' A' ' 224' ' ' VAL . 8.0 tp-100 -77.38 -30.22 53.59 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.679 -0.691 . . . . 10.0 110.216 178.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 221' ' ' LEU . . . . . 0.433 ' HB2' ' HA ' ' A' ' 218' ' ' ARG . 4.4 mt -58.16 -31.36 67.16 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.842 -0.617 . . . . 10.0 111.228 179.488 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -57.49 -68.37 1.73 Allowed Glycine 0 CA--C 1.52 0.345 0 N-CA-C 110.523 -1.031 . . . . 10.0 110.523 178.332 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 223' ' ' PRO . . . . . 0.424 ' O ' ' HG3' ' A' ' 227' ' ' GLU . 71.3 Cg_exo -53.97 -36.9 85.46 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.758 2.306 . . . . 10.0 111.046 177.76 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 224' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 220' ' ' GLN . 26.8 t -58.15 -51.66 68.27 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.093 0 CA-C-N 116.486 -0.324 . . . . 10.0 110.602 179.455 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 2.8 p -68.73 -29.94 68.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.013 0.435 . . . . 10.0 110.81 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -66.21 -51.54 56.7 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.272 -0.422 . . . . 10.0 110.777 178.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 227' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' A' ' 223' ' ' PRO . 48.4 mt-10 -67.7 -40.05 84.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.164 179.463 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -61.12 -44.94 96.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.304 179.317 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -65.63 -38.13 88.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.552 179.516 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -63.74 -45.06 91.56 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.774 -0.648 . . . . 10.0 110.038 179.127 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 231' ' ' ASN . . . . . 0.745 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 72.5 m-20 -69.91 -35.93 74.97 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.437 179.075 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 15.8 mt -64.9 -38.99 92.82 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.956 -0.757 . . . . 10.0 108.956 177.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 233' ' ' GLU . . . . . 0.442 ' HA ' ' OG1' ' A' ' 236' ' ' THR . 3.0 mm-40 -63.43 -32.71 74.23 Favored 'General case' 0 C--O 1.225 -0.197 0 CA-C-N 115.753 -0.658 . . . . 10.0 110.39 178.747 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 234' ' ' LYS . . . . . 0.745 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 47.2 mttt -68.16 -41.41 81.57 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 108.575 -0.898 . . . . 10.0 108.575 178.271 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.75 -48.12 70.13 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.489 -0.778 . . . . 10.0 110.47 179.189 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 236' ' ' THR . . . . . 0.442 ' OG1' ' HA ' ' A' ' 233' ' ' GLU . 15.9 p -64.12 -40.92 97.22 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.362 179.68 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -59.67 -46.05 90.22 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.452 -0.574 . . . . 10.0 109.452 178.229 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -60.21 -48.04 88.07 Favored Glycine 0 N--CA 1.443 -0.872 0 N-CA-C 109.712 -1.355 . . . . 10.0 109.712 178.361 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 88.6 mt -60.82 -31.2 70.61 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.543 0.211 . . . . 10.0 111.164 179.072 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 49.6 mtt180 -67.64 -42.39 82.36 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.564 -0.532 . . . . 10.0 109.564 178.615 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -71.39 -39.69 71.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.619 0.723 . . . . 10.0 109.149 178.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -66.72 -32.87 74.45 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.163 -0.926 . . . . 10.0 110.357 179.429 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 48.4 ttm -59.82 -32.71 70.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.947 0.404 . . . . 10.0 110.419 179.436 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 1.5 m -71.95 3.93 3.88 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 115.567 -0.742 . . . . 10.0 110.924 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -131.79 -54.42 1.0 Allowed 'General case' 0 C--O 1.222 -0.357 0 N-CA-C 109.273 -0.64 . . . . 10.0 109.273 178.466 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 246' ' ' ASP . . . . . 0.706 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 0.7 OUTLIER -55.67 -47.61 76.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 10.0 111.51 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 247' ' ' LEU . . . . . 0.454 ' O ' HG12 ' A' ' 250' ' ' VAL . 16.8 mt -89.13 -43.12 11.27 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.504 179.746 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -60.7 -49.81 76.02 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.705 0.631 . . . . 10.0 112.705 -179.354 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -70.43 -28.61 65.17 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 120.917 0.389 . . . . 10.0 110.947 -179.529 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 250' ' ' VAL . . . . . 0.633 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 0.3 OUTLIER -75.44 -30.53 22.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 O-C-N 122.012 -0.43 . . . . 10.0 110.331 178.938 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 251' ' ' LYS . . . . . 0.586 ' O ' HG12 ' A' ' 254' ' ' VAL . 39.6 tttt -80.58 -40.31 26.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.73 -0.668 . . . . 10.0 109.828 179.341 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -68.87 -34.46 75.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.504 -0.316 . . . . 10.0 110.322 179.287 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -89.65 -15.77 31.93 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.284 -0.416 . . . . 10.0 112.026 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 254' ' ' VAL . . . . . 0.633 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 2.3 p -65.12 -27.72 42.93 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 C-N-CA 120.611 -0.436 . . . . 10.0 110.209 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 255' ' ' GLN . . . . . 0.49 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 45.8 mt-30 -63.93 -61.25 7.19 Favored Pre-proline 0 CA--C 1.536 0.415 0 CA-C-N 115.862 -0.608 . . . . 10.0 111.2 179.457 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 256' ' ' PRO . . . . . 0.49 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 29.5 Cg_endo -65.67 -29.42 51.69 Favored 'Trans proline' 0 C--N 1.354 0.865 0 C-N-CA 121.865 1.71 . . . . 10.0 112.062 178.333 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 6.7 m-30 -68.9 -50.69 47.45 Favored 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 109.849 -0.426 . . . . 10.0 109.849 179.417 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 258' ' ' LEU . . . . . 0.55 ' HB2' ' O ' ' A' ' 254' ' ' VAL . 0.6 OUTLIER -62.51 -42.01 99.22 Favored 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 109.268 -0.642 . . . . 10.0 109.268 179.363 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 259' ' ' ASP . . . . . 0.439 ' O ' ' HB2' ' A' ' 263' ' ' LYS . 31.7 t70 -58.67 -37.53 76.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.435 179.427 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -66.22 -54.06 29.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.32 179.283 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -62.05 -45.74 92.2 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 115.604 -0.725 . . . . 10.0 111.04 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -63.59 -41.49 98.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.092 -0.504 . . . . 10.0 111.513 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 263' ' ' LYS . . . . . 0.496 ' HB2' ' HE3' ' A' ' 263' ' ' LYS . 20.7 ttmt -59.31 -50.07 75.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.09 0.471 . . . . 10.0 110.039 179.62 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 264' ' ' LYS . . . . . 0.428 ' NZ ' ' HB2' ' D' ' 513' ' ' ALA . 76.7 mttt -66.75 -35.4 80.02 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.612 -0.722 . . . . 10.0 109.876 178.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 5.1 m95 -64.23 -36.03 82.75 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 109.646 -0.501 . . . . 10.0 109.646 178.245 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 266' ' ' GLN . . . . . 0.445 ' O ' ' HG3' ' A' ' 270' ' ' GLU . 54.5 mt-30 -62.48 -49.03 77.0 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 108.801 -0.814 . . . . 10.0 108.801 178.089 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -60.37 -45.17 94.47 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 109.089 -0.708 . . . . 10.0 109.089 178.346 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -57.73 -48.55 79.28 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.966 -0.561 . . . . 10.0 111.213 179.496 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 94.5 mmm -64.78 -47.81 76.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.685 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 270' ' ' GLU . . . . . 0.445 ' HG3' ' O ' ' A' ' 266' ' ' GLN . 33.7 mt-10 -62.84 -42.84 99.9 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.67 -0.241 . . . . 10.0 111.257 -179.722 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 44.6 mt -62.72 -41.89 99.39 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 109.409 -0.589 . . . . 10.0 109.409 178.681 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 272' ' ' TYR . . . . . 0.48 ' O ' HG23 ' A' ' 276' ' ' VAL . 0.2 OUTLIER -63.59 -44.76 93.09 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 115.612 -0.722 . . . . 10.0 109.468 178.695 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 273' ' ' ARG . . . . . 0.46 ' O ' ' HG3' ' A' ' 277' ' ' GLU . 94.7 mtt180 -61.47 -44.58 96.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.38 179.19 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -67.3 -18.63 65.26 Favored 'General case' 0 CA--C 1.523 -0.088 0 CA-C-N 115.837 -0.62 . . . . 10.0 111.255 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 275' ' ' LYS . . . . . 0.695 ' HG2' HD21 ' D' ' 499' ' ' LEU . 10.6 mptt -93.85 -38.91 10.99 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.494 -0.321 . . . . 10.0 110.554 178.666 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 276' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 272' ' ' TYR . 25.5 t -53.68 -40.04 41.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.314 -0.403 . . . . 10.0 110.828 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 277' ' ' GLU . . . . . 0.53 ' HB2' ' HD3' ' A' ' 278' ' ' PRO . 17.8 mt-10 -57.98 -64.97 2.14 Favored Pre-proline 0 CA--C 1.542 0.653 0 N-CA-C 112.127 0.417 . . . . 10.0 112.127 -179.764 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 278' ' ' PRO . . . . . 0.53 ' HD3' ' HB2' ' A' ' 277' ' ' GLU . 20.7 Cg_endo -62.34 -36.99 64.17 Favored 'Trans proline' 0 C--N 1.358 1.031 0 C-N-CA 122.048 1.832 . . . . 10.0 112.404 179.495 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 279' ' ' LEU . . . . . 0.715 HD22 ' HE3' ' D' ' 495' ' ' LYS . 29.3 mt -65.0 -36.79 85.55 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.697 0.284 . . . . 10.0 110.561 179.773 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 28.5 ttm180 -64.73 -39.26 93.34 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 109.356 -0.609 . . . . 10.0 109.356 178.55 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -59.75 -48.16 82.78 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.908 -0.587 . . . . 10.0 109.508 178.618 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 282' ' ' GLU . . . . . 0.43 ' HG3' ' O ' ' A' ' 278' ' ' PRO . 71.3 mt-10 -61.52 -46.68 88.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.272 179.247 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 30.0 mt -63.5 -40.4 96.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.953 -0.567 . . . . 10.0 111.154 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -67.99 -51.29 48.86 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.079 -0.509 . . . . 10.0 110.874 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -61.06 -40.5 93.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.925 0.393 . . . . 10.0 110.382 179.348 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -66.32 -46.54 77.91 Favored Glycine 0 N--CA 1.441 -0.967 0 N-CA-C 110.728 -0.949 . . . . 10.0 110.728 178.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -61.91 -38.95 90.28 Favored 'General case' 0 C--O 1.222 -0.375 0 N-CA-C 110.501 -0.185 . . . . 10.0 110.501 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 88.5 mtt180 -54.4 -51.42 64.93 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 116.315 -0.402 . . . . 10.0 110.547 179.14 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -70.73 -46.73 62.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.988 -0.551 . . . . 10.0 111.421 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -58.57 -48.01 82.33 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.751 0.31 . . . . 10.0 111.531 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 291' ' ' LEU . . . . . 0.465 ' O ' ' HG3' ' A' ' 295' ' ' GLN . 94.3 mt -66.0 -38.58 88.84 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.492 -0.322 . . . . 10.0 110.841 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -68.54 -36.85 79.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.83 0.348 . . . . 10.0 110.575 179.179 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -65.76 -37.12 85.46 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.967 -0.753 . . . . 10.0 108.967 178.354 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 72.3 mt -67.46 -37.55 83.1 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.802 -0.635 . . . . 10.0 109.639 178.168 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 295' ' ' GLN . . . . . 0.465 ' HG3' ' O ' ' A' ' 291' ' ' LEU . 59.6 mt-30 -68.18 -30.14 69.17 Favored 'General case' 0 CA--C 1.521 -0.16 0 N-CA-C 109.483 -0.562 . . . . 10.0 109.483 178.749 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -65.71 -15.45 62.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.688 -0.687 . . . . 10.0 110.954 178.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 297' ' ' LYS . . . . . 0.52 ' HB3' HD12 ' A' ' 301' ' ' LEU . 17.9 mmtp -111.91 -27.54 8.41 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.147 179.284 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 298' ' ' LEU . . . . . 0.423 ' O ' ' HA3' ' A' ' 302' ' ' GLY . 12.4 mt -69.69 -34.25 73.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.212 -0.449 . . . . 10.0 112.116 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 299' ' ' SER . . . . . 0.5 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 8.8 m -76.33 -66.34 0.37 Allowed Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 113.162 0.801 . . . . 10.0 113.162 -179.277 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 300' ' ' PRO . . . . . 0.5 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 33.2 Cg_endo -63.48 -57.07 0.41 Allowed 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 121.736 1.624 . . . . 10.0 112.803 -179.198 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 301' ' ' LEU . . . . . 0.554 HD13 ' HG2' ' D' ' 473' ' ' LYS . 68.4 mt -64.42 -26.36 68.42 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-O 120.548 0.213 . . . . 10.0 110.506 -179.723 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 302' ' ' GLY . . . . . 0.423 ' HA3' ' O ' ' A' ' 298' ' ' LEU . . . -70.6 -50.72 24.1 Favored Glycine 0 N--CA 1.449 -0.461 0 N-CA-C 110.851 -0.899 . . . . 10.0 110.851 178.767 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -62.05 -41.35 98.05 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 121.302 0.572 . . . . 10.0 109.803 178.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.95 -38.96 92.98 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.216 -0.902 . . . . 10.0 109.634 178.83 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 11.0 tpt -62.94 -39.95 96.17 Favored 'General case' 0 CA--C 1.518 -0.273 0 N-CA-C 109.329 -0.619 . . . . 10.0 109.329 178.532 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 306' ' ' ARG . . . . . 0.477 ' O ' ' HG3' ' A' ' 310' ' ' ARG . 62.7 mtt180 -67.46 -38.21 84.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.658 -0.701 . . . . 10.0 110.092 178.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 307' ' ' ASP . . . . . 0.894 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 22.7 t70 -67.58 -39.66 84.87 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 109.46 -0.571 . . . . 10.0 109.46 178.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -67.51 -34.47 77.18 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 108.612 -0.885 . . . . 10.0 108.612 177.529 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -66.09 -37.98 87.1 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 108.955 -0.757 . . . . 10.0 108.955 178.245 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 310' ' ' ARG . . . . . 0.894 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 92.7 mtt180 -59.53 -45.96 90.26 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 108.209 -1.034 . . . . 10.0 108.209 177.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -64.88 -42.03 95.15 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.626 -0.715 . . . . 10.0 110.017 178.665 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -56.24 -51.9 66.41 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.139 179.076 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 59.2 t -70.12 -39.48 77.14 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-N 115.576 -0.738 . . . . 10.0 111.878 -179.172 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -62.18 -42.41 99.25 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 109.8 -0.444 . . . . 10.0 109.8 179.19 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -64.93 -33.82 76.93 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.895 -0.593 . . . . 10.0 109.632 178.516 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 33.3 mt -70.21 -42.55 72.19 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.432 178.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 33.3 ttm105 -63.16 -41.35 99.23 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.967 -0.561 . . . . 10.0 111.412 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -66.23 -21.05 66.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.045 0.45 . . . . 10.0 111.224 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 49.9 m80 -98.45 -41.51 7.76 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.22 -0.445 . . . . 10.0 110.812 179.335 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 320' ' ' LEU . . . . . 0.514 ' HA ' ' HB2' ' A' ' 323' ' ' TYR . 77.0 mt -66.92 -26.54 66.91 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.284 0.475 . . . . 10.0 112.284 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -60.62 -60.75 9.64 Favored Pre-proline 0 CA--C 1.532 0.269 0 C-N-CA 120.945 -0.302 . . . . 10.0 110.877 178.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -66.71 -28.51 43.98 Favored 'Trans proline' 0 C--N 1.356 0.942 0 C-N-CA 121.512 1.475 . . . . 10.0 110.737 178.227 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 323' ' ' TYR . . . . . 0.514 ' HB2' ' HA ' ' A' ' 320' ' ' LEU . 3.7 m-30 -63.08 -51.46 66.57 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 116.253 -0.431 . . . . 10.0 109.849 178.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 324' ' ' SER . . . . . 0.49 ' HA ' ' HB2' ' A' ' 327' ' ' LEU . 17.5 p -67.53 -33.58 75.35 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 110.01 -0.367 . . . . 10.0 110.01 179.775 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 325' ' ' ASP . . . . . 0.534 ' HA ' ' HD2' ' A' ' 328' ' ' ARG . 26.5 t0 -61.26 -47.12 87.47 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 115.841 -0.618 . . . . 10.0 109.393 178.6 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -74.55 -24.15 58.89 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.702 -0.681 . . . . 10.0 110.666 178.487 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 327' ' ' LEU . . . . . 0.49 ' HB2' ' HA ' ' A' ' 324' ' ' SER . 19.4 mt -67.98 -30.37 69.63 Favored 'General case' 0 CA--C 1.52 -0.178 0 N-CA-C 108.887 -0.783 . . . . 10.0 108.887 177.671 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 328' ' ' ARG . . . . . 0.534 ' HD2' ' HA ' ' A' ' 325' ' ' ASP . 78.9 mtt180 -63.22 -45.74 90.21 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 107.992 -1.114 . . . . 10.0 107.992 177.647 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -63.73 -44.13 94.45 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 114.998 -1.001 . . . . 10.0 109.288 178.761 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 27.4 mtt-85 -57.31 -49.01 77.45 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.652 -0.704 . . . . 10.0 110.102 178.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 6.1 mt -60.17 -47.92 83.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.74 179.338 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -59.66 -46.68 88.32 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.239 -0.437 . . . . 10.0 111.155 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -62.7 -45.78 91.2 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.942 0.401 . . . . 10.0 110.845 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 334' ' ' ARG . . . . . 0.401 ' HD3' HH11 ' A' ' 334' ' ' ARG . 35.3 mtt-85 -63.94 -41.88 97.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.4 179.236 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 335' ' ' LEU . . . . . 0.606 ' O ' ' HB2' ' A' ' 339' ' ' LYS . 24.8 mt -62.63 -43.84 97.8 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.278 179.111 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -63.49 -45.91 88.57 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 120.645 0.26 . . . . 10.0 110.572 179.114 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 337' ' ' ALA . . . . . 0.509 ' O ' ' HB2' ' A' ' 341' ' ' ASN . . . -56.21 -47.18 78.9 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.846 -0.615 . . . . 10.0 110.349 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 67.0 mt -80.96 -12.91 59.3 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.306 -0.407 . . . . 10.0 111.823 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 339' ' ' LYS . . . . . 0.606 ' HB2' ' O ' ' A' ' 335' ' ' LEU . 70.7 tttt -80.64 -54.87 5.26 Favored 'General case' 0 CA--C 1.512 -0.504 0 N-CA-C 109.417 -0.586 . . . . 10.0 109.417 179.632 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -66.02 -41.52 90.84 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.36 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 341' ' ' ASN . . . . . 0.509 ' HB2' ' O ' ' A' ' 337' ' ' ALA . 4.7 t-20 -67.15 -44.18 80.43 Favored 'General case' 0 C--O 1.225 -0.197 0 N-CA-C 108.846 -0.798 . . . . 10.0 108.846 178.523 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -60.44 -41.51 98.61 Favored Glycine 0 N--CA 1.447 -0.586 0 CA-C-N 115.798 -0.637 . . . . 10.0 111.892 179.245 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -61.25 -41.68 99.56 Favored Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 110.902 -0.879 . . . . 10.0 110.902 178.693 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -68.86 -40.21 79.46 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 109.728 -0.471 . . . . 10.0 109.728 179.087 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 33.0 mtm180 -64.58 -44.11 91.72 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.579 179.215 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 24.0 mt -59.79 -47.46 85.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.87 0.367 . . . . 10.0 110.199 179.253 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.97 -40.46 93.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.121 0.486 . . . . 10.0 110.183 179.157 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -67.32 -44.73 78.4 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.017 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -61.44 -41.42 97.16 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.394 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 31.1 m-70 -62.03 -44.95 95.6 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.566 -0.531 . . . . 10.0 109.566 178.55 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 351' ' ' ALA . . . . . 0.432 ' O ' ' HG2' ' A' ' 355' ' ' GLU . . . -63.13 -47.11 84.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.814 -0.63 . . . . 10.0 109.792 179.066 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 12.2 mttm -59.99 -46.21 90.21 Favored 'General case' 0 CA--C 1.521 -0.135 0 CA-C-N 116.134 -0.485 . . . . 10.0 109.836 178.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 353' ' ' ALA . . . . . 0.472 ' O ' ' HG ' ' A' ' 357' ' ' LEU . . . -59.19 -37.22 76.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.057 -0.519 . . . . 10.0 110.095 179.216 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 55.4 m -61.85 -47.17 86.25 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.09 -0.708 . . . . 10.0 109.09 178.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 355' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' ' 351' ' ' ALA . 8.4 mm-40 -63.43 -39.36 94.28 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.014 -0.539 . . . . 10.0 109.685 178.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -64.96 -36.33 84.03 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-N 115.703 -0.681 . . . . 10.0 109.966 178.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 357' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 353' ' ' ALA . 72.5 mt -70.5 -40.17 73.7 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 110.012 -0.366 . . . . 10.0 110.012 179.051 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 20.3 m -62.56 -39.91 95.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.211 -0.449 . . . . 10.0 110.276 178.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 1.6 p -76.96 -32.85 57.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.064 0.459 . . . . 10.0 110.159 178.706 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 360' ' ' LEU . . . . . 0.564 ' HA ' ' HE3' ' A' ' 363' ' ' LYS . 56.3 tp -65.16 -30.24 71.14 Favored 'General case' 0 CA--C 1.517 -0.292 0 N-CA-C 109.022 -0.732 . . . . 10.0 109.022 178.438 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 35.7 m -63.19 -30.55 71.67 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.536 -0.757 . . . . 10.0 109.842 178.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 362' ' ' GLU . . . . . 0.442 ' HA ' ' HD2' ' A' ' 366' ' ' PRO . 5.3 mm-40 -72.39 -22.79 61.08 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.35 -0.611 . . . . 10.0 109.35 179.011 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 363' ' ' LYS . . . . . 0.738 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 44.6 mtmt -91.97 -23.16 19.65 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.503 -0.771 . . . . 10.0 110.529 179.493 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 364' ' ' ALA . . . . . 0.445 ' O ' ' HB2' ' A' ' 368' ' ' LEU . . . -91.16 -33.69 15.32 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.909 -179.653 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 365' ' ' LYS . . . . . 1.012 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 82.8 mttt -97.79 -74.18 0.04 OUTLIER Pre-proline 0 CA--C 1.538 0.49 0 N-CA-C 112.423 0.527 . . . . 10.0 112.423 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 366' ' ' PRO . . . . . 1.012 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 32.3 Cg_exo -61.84 -54.19 1.71 Allowed 'Trans proline' 0 C--N 1.355 0.876 0 C-N-CA 121.923 1.749 . . . . 10.0 113.034 -179.382 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 367' ' ' ALA . . . . . 0.738 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -57.23 -48.49 78.7 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.325 0.491 . . . . 10.0 112.325 -179.316 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 368' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' ' 363' ' ' LYS . 12.1 mt -64.86 -37.56 88.05 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.912 -0.315 . . . . 10.0 111.041 179.42 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -60.79 -50.25 74.22 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.089 -0.708 . . . . 10.0 109.089 178.628 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.28 -43.12 92.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.755 -0.657 . . . . 10.0 110.505 179.343 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 75.1 mt -63.36 -45.99 88.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.669 179.403 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 82.9 mtt180 -65.47 -36.9 85.26 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 120.769 0.319 . . . . 10.0 110.774 179.601 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -63.09 -35.58 80.74 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.687 -0.688 . . . . 10.0 110.094 178.737 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -83.13 -31.93 27.29 Favored Glycine 0 N--CA 1.45 -0.412 0 CA-C-N 115.907 -0.588 . . . . 10.0 112.015 179.274 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 43.3 mt -61.92 -38.16 87.38 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 120.326 0.107 . . . . 10.0 111.086 179.435 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 18.9 mt -52.54 -61.81 4.12 Favored Pre-proline 0 CA--C 1.54 0.584 0 N-CA-C 113.238 0.829 . . . . 10.0 113.238 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_endo -59.84 -36.42 90.94 Favored 'Trans proline' 0 C--N 1.356 0.964 0 C-N-CA 122.115 1.877 . . . . 10.0 111.638 179.169 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 57.5 t -64.04 -44.34 97.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 379' ' ' LEU . . . . . 0.438 ' O ' ' HG3' ' A' ' 383' ' ' LYS . 63.0 mt -63.08 -41.37 99.4 Favored 'General case' 0 CA--C 1.516 -0.365 0 N-CA-C 109.622 -0.511 . . . . 10.0 109.622 178.523 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 380' ' ' GLU . . . . . 0.469 ' O ' HG23 ' A' ' 384' ' ' VAL . 14.0 mt-10 -61.89 -43.03 99.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 10.0 109.987 178.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 16.3 m -63.56 -40.86 98.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.825 -0.625 . . . . 10.0 109.705 178.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -64.2 -39.4 93.9 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-N 115.833 -0.621 . . . . 10.0 110.512 179.267 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 383' ' ' LYS . . . . . 0.438 ' HG3' ' O ' ' A' ' 379' ' ' LEU . 91.7 mttt -58.9 -44.44 91.24 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 110.009 -0.367 . . . . 10.0 110.009 179.109 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 384' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 380' ' ' GLU . 39.6 t -65.1 -45.25 94.78 Favored 'Isoleucine or valine' 0 C--O 1.232 0.161 0 CA-C-O 121.059 0.457 . . . . 10.0 110.129 179.502 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 21.4 m -64.83 -38.65 91.71 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.849 -0.614 . . . . 10.0 111.55 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -72.74 -40.37 66.11 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.544 0.211 . . . . 10.0 111.35 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 17.7 mt -61.11 -44.81 96.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.803 0.335 . . . . 10.0 110.355 178.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 388' ' ' SER . . . . . 0.797 ' HB2' ' HD3' ' D' ' 594' ' ' LYS . 9.7 p -68.66 -34.93 76.55 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.604 179.514 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -65.33 -40.45 93.71 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.178 -0.465 . . . . 10.0 110.105 179.227 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 77.6 mt -62.09 -37.25 84.33 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.034 -0.53 . . . . 10.0 109.824 178.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -63.41 -38.7 92.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.925 -0.58 . . . . 10.0 110.174 178.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -56.72 -43.01 80.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.633 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -61.63 -42.99 99.67 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.926 -0.579 . . . . 10.0 109.906 178.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 18.0 m -70.42 -31.77 69.11 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.954 -0.567 . . . . 10.0 112.423 -179.65 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -82.83 -36.23 25.68 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 113.617 0.969 . . . . 10.0 113.617 -178.471 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 396' ' ' LYS . . . . . 0.474 ' HG2' ' HB2' ' D' ' 587' ' ' ALA . 1.7 mptt -98.47 -35.82 10.14 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 113.938 1.088 . . . . 10.0 113.938 -178.291 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 36.1 mt -93.75 -1.76 54.63 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.749 -0.38 . . . . 10.0 111.724 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 15.1 t30 . . . . . 0 C--N 1.324 -0.539 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.299 -179.736 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' D' D ' 399' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' D' ' 399' ' ' LEU . 3.7 mm? . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.909 0.385 . . . . 10.0 111.006 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -83.92 31.56 0.49 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.552 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 44.7 mt -65.71 -39.18 90.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.86 -0.609 . . . . 10.0 111.543 -179.48 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 87.3 mt -68.24 -41.24 81.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.823 0.344 . . . . 10.0 110.54 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -66.0 -44.57 84.43 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.58 -0.736 . . . . 10.0 109.689 179.463 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 404' ' ' ASN . . . . . 0.428 ' O ' HG23 ' D' ' 408' ' ' VAL . 26.8 t-20 -63.22 -46.5 86.68 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.423 -0.808 . . . . 10.0 110.668 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -63.17 -29.76 71.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.199 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -65.37 -43.25 91.32 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.849 -0.426 . . . . 10.0 109.849 179.15 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.29 -34.55 77.94 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.119 0.485 . . . . 10.0 110.028 179.193 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 408' ' ' VAL . . . . . 0.428 HG23 ' O ' ' D' ' 404' ' ' ASN . 54.8 t -68.44 -32.73 56.65 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-N 115.441 -0.799 . . . . 10.0 109.164 178.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 82.4 m -67.72 -40.54 84.22 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.515 -0.766 . . . . 10.0 109.332 178.152 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.6 -39.35 83.93 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.724 -0.671 . . . . 10.0 110.58 179.059 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.15 -37.35 80.95 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 116.178 -0.464 . . . . 10.0 110.019 179.337 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -65.84 -44.16 86.34 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.167 178.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 413' ' ' SER . . . . . 0.523 ' O ' ' HG3' ' D' ' 417' ' ' GLU . 14.5 m -58.94 -42.9 90.91 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.87 -0.418 . . . . 10.0 109.87 178.663 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 414' ' ' LYS . . . . . 0.426 ' HA ' ' HD3' ' D' ' 414' ' ' LYS . 28.6 mmtt -61.68 -37.18 83.14 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 121.248 0.547 . . . . 10.0 110.566 178.834 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 85.5 mt -69.57 -38.88 77.58 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.867 -0.606 . . . . 10.0 109.596 178.651 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -64.94 -34.71 79.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.978 -0.555 . . . . 10.0 111.014 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 417' ' ' GLU . . . . . 0.531 ' O ' ' HD2' ' D' ' 421' ' ' PRO . 76.2 mt-10 -67.43 -40.9 85.51 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.296 -0.631 . . . . 10.0 109.296 178.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 418' ' ' GLN . . . . . 0.645 ' O ' ' HB ' ' D' ' 422' ' ' VAL . 46.1 mt-30 -71.88 -25.3 61.88 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.763 -0.653 . . . . 10.0 110.201 179.027 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 419' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' D' ' 419' ' ' LEU . 17.6 mt -74.38 -0.4 17.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.691 -0.686 . . . . 10.0 111.235 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -99.68 -94.18 2.09 Favored Glycine 0 N--CA 1.444 -0.828 0 CA-C-N 115.71 -0.677 . . . . 10.0 111.557 178.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 421' ' ' PRO . . . . . 0.531 ' HD2' ' O ' ' D' ' 417' ' ' GLU . 85.4 Cg_exo -50.33 -43.39 44.09 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 123.662 2.908 . . . . 10.0 113.773 -179.697 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 422' ' ' VAL . . . . . 0.645 ' HB ' ' O ' ' D' ' 418' ' ' GLN . 57.4 t -63.69 -40.88 90.68 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 CA-C-O 120.579 0.228 . . . . 10.0 111.342 -179.453 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 423' ' ' THR . . . . . 0.416 ' HA ' ' HB3' ' D' ' 426' ' ' PHE . 3.8 m -73.73 -35.19 65.05 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.938 -0.393 . . . . 10.0 109.938 179.617 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -60.71 -45.59 93.63 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.103 -0.499 . . . . 10.0 109.841 178.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -75.29 -25.05 57.64 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.272 -0.422 . . . . 10.0 110.219 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 426' ' ' PHE . . . . . 0.417 ' O ' ' HG ' ' D' ' 430' ' ' LEU . 23.3 t80 -66.34 -39.87 89.49 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 108.576 -0.898 . . . . 10.0 108.576 177.771 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 427' ' ' TRP . . . . . 0.549 ' HA ' HD12 ' D' ' 430' ' ' LEU . 4.3 m95 -67.19 -39.36 86.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.466 -0.788 . . . . 10.0 109.316 178.069 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -66.8 -32.99 74.63 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 108.626 -0.879 . . . . 10.0 108.626 177.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -67.99 -42.53 80.63 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 108.944 -0.761 . . . . 10.0 108.944 177.383 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 430' ' ' LEU . . . . . 0.549 HD12 ' HA ' ' D' ' 427' ' ' TRP . 85.9 mt -55.82 -38.21 69.7 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 115.832 -0.622 . . . . 10.0 109.555 178.728 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 -62.87 -46.18 89.06 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.826 -0.625 . . . . 10.0 109.591 178.147 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -61.44 -44.5 97.01 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 116.123 -0.489 . . . . 10.0 109.904 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 433' ' ' GLU . . . . . 0.443 ' O ' ' HG ' ' D' ' 437' ' ' LEU . 13.3 mt-10 -62.99 -53.21 57.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.758 -0.656 . . . . 10.0 111.555 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 12.0 p -63.69 -45.5 89.75 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.732 0.271 . . . . 10.0 111.732 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 435' ' ' GLU . . . . . 0.466 ' O ' ' HG3' ' D' ' 439' ' ' GLN . 24.3 mm-40 -64.45 -41.08 96.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.814 0.34 . . . . 10.0 110.448 179.427 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -63.74 -42.07 98.73 Favored Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 110.549 -1.02 . . . . 10.0 110.549 178.534 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 437' ' ' LEU . . . . . 0.444 ' O ' ' HB2' ' D' ' 441' ' ' MET . 73.9 mt -67.64 -29.66 69.02 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.587 -0.523 . . . . 10.0 109.587 178.701 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 61.4 mtt180 -71.02 -29.69 65.69 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.222 -0.445 . . . . 10.0 109.929 178.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 439' ' ' GLN . . . . . 0.466 ' HG3' ' O ' ' D' ' 435' ' ' GLU . 97.5 mt-30 -61.02 -40.24 92.83 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 109.625 -0.509 . . . . 10.0 109.625 178.742 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 440' ' ' GLU . . . . . 0.478 ' O ' ' HB2' ' D' ' 444' ' ' ASP . 4.8 pt-20 -87.16 -41.5 13.71 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.626 -0.715 . . . . 10.0 111.384 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 441' ' ' MET . . . . . 0.444 ' HB2' ' O ' ' D' ' 437' ' ' LEU . 6.9 mmm -61.76 -38.72 89.04 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 112.605 0.595 . . . . 10.0 112.605 -179.123 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 36.1 p -64.81 -54.26 34.02 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.787 -0.449 . . . . 10.0 109.787 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 443' ' ' LYS . . . . . 0.453 ' HB3' ' HE3' ' D' ' 443' ' ' LYS . 16.3 mtpp -61.9 -29.05 69.95 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.947 -0.57 . . . . 10.0 110.337 179.06 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 444' ' ' ASP . . . . . 0.54 ' O ' HG23 ' D' ' 448' ' ' VAL . 4.9 t0 -70.26 -57.76 4.52 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.811 -0.631 . . . . 10.0 109.786 179.303 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 11.9 mt -60.4 -42.8 96.68 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.659 0.615 . . . . 10.0 112.659 -179.259 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -64.46 -25.92 68.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.361 0.601 . . . . 10.0 110.04 179.563 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 447' ' ' GLU . . . . . 0.451 ' HB2' ' O ' ' D' ' 443' ' ' LYS . 4.7 tt0 -90.97 -23.94 20.27 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.835 -0.62 . . . . 10.0 109.989 179.11 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 448' ' ' VAL . . . . . 0.54 HG23 ' O ' ' D' ' 444' ' ' ASP . 6.6 t -60.86 -41.58 89.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 109.136 -0.69 . . . . 10.0 109.136 178.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 70.6 mttt -64.91 -25.58 67.94 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.431 -0.804 . . . . 10.0 109.808 178.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -94.47 -1.57 53.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.579 -0.737 . . . . 10.0 111.316 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 451' ' ' LYS . . . . . 0.433 ' O ' ' HB2' ' D' ' 455' ' ' TYR . 36.7 mmtm -113.04 -45.83 3.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.497 -0.319 . . . . 10.0 110.915 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 98.3 t -68.34 -40.78 82.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.315 -0.402 . . . . 10.0 111.367 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -55.73 -60.06 9.68 Favored Pre-proline 0 CA--C 1.536 0.408 0 N-CA-C 112.18 0.437 . . . . 10.0 112.18 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -64.84 -29.77 58.59 Favored 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 121.54 1.494 . . . . 10.0 111.647 179.217 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 455' ' ' TYR . . . . . 0.535 ' O ' ' HB2' ' D' ' 459' ' ' PHE . 2.6 t80 -69.54 -41.97 75.24 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 110.14 -0.319 . . . . 10.0 110.14 179.285 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 20.0 mt -66.25 -36.19 82.35 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.854 -0.424 . . . . 10.0 109.854 179.12 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -67.1 -50.63 60.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.852 -0.613 . . . . 10.0 109.987 178.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -63.39 -36.67 84.48 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-N 115.877 -0.601 . . . . 10.0 109.991 179.293 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 459' ' ' PHE . . . . . 0.535 ' HB2' ' O ' ' D' ' 455' ' ' TYR . 0.0 OUTLIER -65.58 -47.95 74.02 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 115.716 -0.675 . . . . 10.0 109.58 178.552 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -62.61 -35.15 78.63 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.914 -0.585 . . . . 10.0 110.346 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 461' ' ' LYS . . . . . 0.433 ' O ' ' HG3' ' D' ' 465' ' ' GLU . 61.5 mttt -61.41 -46.23 91.0 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.312 -0.625 . . . . 10.0 109.312 178.106 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 14.9 mtmm -67.66 -36.18 80.25 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 115.521 -0.763 . . . . 10.0 110.202 178.406 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 37.9 m0 -62.62 -46.42 88.34 Favored 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 108.613 -0.884 . . . . 10.0 108.613 177.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -59.0 -44.72 91.69 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-N 115.485 -0.78 . . . . 10.0 109.745 178.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 465' ' ' GLU . . . . . 0.611 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 36.2 mt-10 -56.66 -58.67 7.08 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.434 179.347 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.86 -42.73 98.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.436 -179.512 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 25.8 ttm -60.69 -45.43 94.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.706 0.289 . . . . 10.0 110.767 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -67.98 -41.2 82.71 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 116.382 -0.372 . . . . 10.0 110.086 178.623 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 469' ' ' LEU . . . . . 0.611 ' HG ' ' O ' ' D' ' 465' ' ' GLU . 65.9 mt -57.36 -41.85 80.93 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 116.242 -0.436 . . . . 10.0 110.171 179.111 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 14.3 m-30 -62.91 -26.61 68.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 10.0 111.059 179.408 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 471' ' ' ARG . . . . . 0.854 ' HA ' ' HG3' ' D' ' 475' ' ' GLU . 14.5 mmt85 -74.89 -19.91 59.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.099 -0.501 . . . . 10.0 110.205 178.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 472' ' ' GLN . . . . . 0.402 ' H ' ' HG2' ' D' ' 472' ' ' GLN . 0.0 OUTLIER -114.5 10.61 16.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 10.0 111.09 178.779 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 473' ' ' LYS . . . . . 0.554 ' HG2' HD13 ' A' ' 301' ' ' LEU . 83.6 mttt -133.51 -64.83 0.7 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.781 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 94.9 t -63.19 -42.18 95.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.574 -0.285 . . . . 10.0 110.766 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 475' ' ' GLU . . . . . 0.854 ' HG3' ' HA ' ' D' ' 471' ' ' ARG . 3.0 mt-10 -58.06 -57.19 27.68 Favored Pre-proline 0 CA--C 1.538 0.509 0 N-CA-C 112.052 0.39 . . . . 10.0 112.052 179.415 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_endo -62.46 -34.63 75.44 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 121.821 1.681 . . . . 10.0 111.142 177.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 19.6 mt -64.75 -31.21 72.33 Favored 'General case' 0 CA--C 1.522 -0.109 0 CA-C-O 121.23 0.538 . . . . 10.0 109.707 178.551 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 478' ' ' ARG . . . . . 0.43 ' O ' ' HB2' ' D' ' 482' ' ' GLN . 13.7 mtt180 -67.3 -29.6 69.23 Favored 'General case' 0 C--O 1.22 -0.474 0 N-CA-C 109.228 -0.656 . . . . 10.0 109.228 177.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -76.13 -38.79 56.38 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 108.321 -0.992 . . . . 10.0 108.321 178.216 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.41 -45.5 94.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.347 -0.842 . . . . 10.0 108.764 177.707 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 90.1 mt -74.77 -25.63 59.2 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 115.513 -0.767 . . . . 10.0 110.4 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 482' ' ' GLN . . . . . 0.43 ' HB2' ' O ' ' D' ' 478' ' ' ARG . 7.0 tp60 -65.59 -59.62 3.77 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.315 -0.624 . . . . 10.0 109.315 179.046 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.33 -34.69 78.55 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.519 -0.764 . . . . 10.0 110.24 179.574 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -64.83 -44.1 95.2 Favored Glycine 0 N--CA 1.446 -0.637 0 N-CA-C 111.388 -0.685 . . . . 10.0 111.388 178.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -67.59 -39.18 84.82 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 109.735 -0.468 . . . . 10.0 109.735 178.664 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -62.83 -41.9 99.51 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 116.071 -0.513 . . . . 10.0 109.665 178.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 487' ' ' GLN . . . . . 0.473 ' O ' ' HG3' ' D' ' 491' ' ' GLU . 6.2 mm-40 -66.75 -43.6 83.67 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.709 -0.678 . . . . 10.0 109.472 178.514 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -63.98 -37.58 87.94 Favored 'General case' 0 C--O 1.224 -0.24 0 N-CA-C 109.69 -0.485 . . . . 10.0 109.69 178.718 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 31.8 mt -64.3 -38.64 91.77 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 109.17 -0.678 . . . . 10.0 109.17 177.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -66.69 -45.76 77.77 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 108.181 -1.044 . . . . 10.0 108.181 177.744 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 491' ' ' GLU . . . . . 0.473 ' HG3' ' O ' ' D' ' 487' ' ' GLN . 42.9 mt-10 -58.28 -41.36 84.18 Favored 'General case' 0 CA--C 1.52 -0.174 0 N-CA-C 109.269 -0.641 . . . . 10.0 109.269 178.209 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 49.9 mt -66.63 -47.31 72.99 Favored 'General case' 0 C--O 1.22 -0.473 0 CA-C-N 115.728 -0.669 . . . . 10.0 110.408 179.14 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -60.1 -37.47 80.08 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.783 0.325 . . . . 10.0 110.803 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -69.32 -8.2 44.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.965 179.111 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 495' ' ' LYS . . . . . 0.715 ' HE3' HD22 ' A' ' 279' ' ' LEU . 48.5 mttp -112.93 -44.28 3.31 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.123 179.182 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 496' ' ' LEU . . . . . 0.403 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 80.5 mt -62.55 -22.32 66.24 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.88 -0.6 . . . . 10.0 111.846 -179.398 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 497' ' ' SER . . . . . 0.528 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 10.4 m -81.41 -65.46 0.25 Allowed Pre-proline 0 C--N 1.325 -0.488 0 C-N-CA 120.786 -0.365 . . . . 10.0 111.868 179.733 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 498' ' ' PRO . . . . . 0.528 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 41.0 Cg_endo -66.44 -45.99 4.52 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 121.66 1.573 . . . . 10.0 112.15 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 499' ' ' LEU . . . . . 0.695 HD21 ' HG2' ' A' ' 275' ' ' LYS . 82.9 mt -72.54 -29.94 64.01 Favored 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 110.077 -0.342 . . . . 10.0 110.077 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 500' ' ' GLY . . . . . 0.43 ' O ' ' HG3' ' D' ' 504' ' ' ARG . . . -65.56 -50.6 53.82 Favored Glycine 0 N--CA 1.442 -0.959 0 N-CA-C 110.479 -1.048 . . . . 10.0 110.479 178.778 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -65.64 -34.66 78.74 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 109.545 -0.539 . . . . 10.0 109.545 178.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 502' ' ' GLU . . . . . 0.417 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 23.9 tt0 -64.08 -45.61 87.95 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 109.234 -0.654 . . . . 10.0 109.234 178.119 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 503' ' ' MET . . . . . 0.435 ' HA ' ' HD2' ' D' ' 506' ' ' ARG . 74.8 mmm -61.66 -36.05 79.72 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 109.392 -0.595 . . . . 10.0 109.392 178.73 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 504' ' ' ARG . . . . . 0.43 ' HG3' ' O ' ' D' ' 500' ' ' GLY . 95.1 mtt180 -63.56 -46.8 84.25 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.267 -0.642 . . . . 10.0 109.267 178.27 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 505' ' ' ASP . . . . . 0.669 ' HA ' ' HD2' ' D' ' 508' ' ' ARG . 4.3 m-20 -64.3 -39.74 94.54 Favored 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.375 179.305 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 506' ' ' ARG . . . . . 0.435 ' HD2' ' HA ' ' D' ' 503' ' ' MET . 57.9 mtt180 -59.15 -47.2 86.16 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 108.812 -0.811 . . . . 10.0 108.812 178.359 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -62.83 -40.21 96.7 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.492 -0.776 . . . . 10.0 109.635 179.119 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 508' ' ' ARG . . . . . 0.669 ' HD2' ' HA ' ' D' ' 505' ' ' ASP . 72.5 mtt180 -59.2 -41.34 88.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.246 -0.434 . . . . 10.0 110.435 178.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -68.01 -42.27 80.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.908 -0.587 . . . . 10.0 111.281 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 510' ' ' HIS . . . . . 0.444 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 75.6 m-70 -71.67 -45.27 62.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.827 0.346 . . . . 10.0 110.668 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.35 -42.29 95.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.364 -0.38 . . . . 10.0 110.362 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 512' ' ' ASP . . . . . 0.506 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 12.0 t70 -65.43 -35.52 81.18 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 121.055 0.455 . . . . 10.0 109.917 179.343 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 513' ' ' ALA . . . . . 0.428 ' HB2' ' NZ ' ' A' ' 264' ' ' LYS . . . -66.12 -41.05 91.06 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 108.506 -0.924 . . . . 10.0 108.506 177.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 514' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' D' ' 510' ' ' HIS . 70.6 mt -60.5 -34.4 74.02 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 115.957 -0.565 . . . . 10.0 109.637 178.522 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 515' ' ' ARG . . . . . 0.506 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 82.6 mtt180 -67.35 -23.55 65.62 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.953 -0.567 . . . . 10.0 109.716 178.446 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -103.7 1.5 31.91 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.539 -0.755 . . . . 10.0 110.369 -179.53 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 517' ' ' HIS . . . . . 0.403 ' O ' ' HB2' ' D' ' 521' ' ' TYR . 38.7 m170 -115.59 -64.71 1.28 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.382 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 79.4 mt -65.11 -51.29 62.17 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 115.899 -0.591 . . . . 10.0 112.188 -178.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 519' ' ' ALA . . . . . 0.672 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -53.71 -58.31 13.67 Favored Pre-proline 0 CA--C 1.54 0.592 0 N-CA-C 113.117 0.784 . . . . 10.0 113.117 -179.372 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 520' ' ' PRO . . . . . 0.672 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 38.0 Cg_exo -62.47 -41.27 33.85 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 121.958 1.772 . . . . 10.0 111.543 179.534 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 521' ' ' TYR . . . . . 0.403 ' HB2' ' O ' ' D' ' 517' ' ' HIS . 6.7 t80 -67.45 -34.69 77.71 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.31 -0.405 . . . . 10.0 111.74 -179.274 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 522' ' ' SER . . . . . 0.514 ' O ' ' HG3' ' D' ' 526' ' ' ARG . 94.8 p -64.95 -34.03 77.45 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 121.036 -0.266 . . . . 10.0 110.748 179.448 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 523' ' ' ASP . . . . . 0.489 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 25.6 t70 -69.43 -35.93 76.18 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 109.367 -0.605 . . . . 10.0 109.367 178.504 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -71.32 -35.6 71.29 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 108.236 -1.024 . . . . 10.0 108.236 177.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 525' ' ' LEU . . . . . 0.458 ' O ' ' HG ' ' D' ' 529' ' ' LEU . 28.5 mt -64.96 -34.22 77.91 Favored 'General case' 0 C--O 1.22 -0.49 0 CA-C-N 115.196 -0.911 . . . . 10.0 109.014 177.812 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 526' ' ' ARG . . . . . 0.514 ' HG3' ' O ' ' D' ' 522' ' ' SER . 82.4 mtt180 -61.09 -35.65 77.55 Favored 'General case' 0 C--O 1.227 -0.107 0 O-C-N 123.471 0.482 . . . . 10.0 109.784 178.584 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -64.7 -40.12 94.82 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 108.671 -0.863 . . . . 10.0 108.671 178.637 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 528' ' ' ARG . . . . . 0.706 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 93.3 mtt180 -71.48 -46.41 59.95 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.751 -1.113 . . . . 10.0 109.849 179.432 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 529' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' D' ' 525' ' ' LEU . 95.1 mt -59.4 -39.53 83.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.62 179.393 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -62.89 -46.79 86.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 10.0 110.166 179.275 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -65.37 -41.62 93.58 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.183 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -64.33 -45.33 88.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.017 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 55.8 mt -65.85 -37.64 86.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.058 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 534' ' ' GLU . . . . . 0.536 ' HA ' ' HE3' ' D' ' 537' ' ' LYS . 26.3 tt0 -64.46 -40.05 94.98 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 115.928 -0.578 . . . . 10.0 109.523 178.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -64.37 -42.99 95.9 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 108.571 -0.899 . . . . 10.0 108.571 178.385 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 95.4 mt -65.19 -26.78 68.29 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.615 -0.721 . . . . 10.0 110.629 179.052 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 537' ' ' LYS . . . . . 0.536 ' HE3' ' HA ' ' D' ' 534' ' ' GLU . 47.6 mtmt -80.4 -37.69 31.74 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.866 -0.42 . . . . 10.0 109.866 178.362 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -70.67 -56.78 5.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 10.0 109.948 178.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 10.4 m-20 -66.55 -36.04 81.69 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.34 -0.615 . . . . 10.0 109.34 179.402 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -66.2 -41.0 95.08 Favored Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 111.17 -0.772 . . . . 10.0 111.17 179.19 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -63.35 -43.06 98.92 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 110.215 -1.154 . . . . 10.0 110.215 178.545 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -63.88 -46.52 84.54 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.938 -0.764 . . . . 10.0 108.938 178.349 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 53.2 mtt180 -58.5 -37.27 75.23 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.609 179.02 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 52.2 mt -64.68 -40.9 96.18 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.755 -0.461 . . . . 10.0 109.755 179.197 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -68.13 -43.46 78.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.836 -0.62 . . . . 10.0 109.418 178.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 546' ' ' GLU . . . . . 0.414 ' O ' ' HB2' ' D' ' 550' ' ' LYS . 33.1 mt-10 -62.21 -43.48 98.73 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 115.785 -0.643 . . . . 10.0 109.519 178.335 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -62.51 -41.27 98.72 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-N 115.852 -0.613 . . . . 10.0 109.486 178.539 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -62.34 -51.1 68.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.114 179.349 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -61.66 -51.01 70.22 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.022 -0.536 . . . . 10.0 110.955 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 550' ' ' LYS . . . . . 0.414 ' HB2' ' O ' ' D' ' 546' ' ' GLU . 0.0 OUTLIER -62.59 -31.19 71.98 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.013 -0.539 . . . . 10.0 111.322 -179.933 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -63.29 -41.88 99.01 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.649 -0.5 . . . . 10.0 109.649 178.672 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.87 -41.26 87.58 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.668 -0.493 . . . . 10.0 109.668 178.829 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -64.38 -46.35 83.71 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.711 -0.477 . . . . 10.0 109.711 178.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 68.3 t60 -61.4 -40.65 95.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.645 -0.707 . . . . 10.0 109.389 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 10.2 tp -64.54 -43.38 94.16 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.54 -0.755 . . . . 10.0 110.421 179.003 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 20.0 m -63.19 -41.02 99.12 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.298 178.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 7.4 m -70.15 -28.79 65.64 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.451 -0.574 . . . . 10.0 109.451 178.488 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 14.8 mt -67.45 -51.26 53.62 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.615 -0.721 . . . . 10.0 110.052 179.049 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 1.2 p -66.92 -36.02 81.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.758 0.313 . . . . 10.0 110.822 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -58.9 -30.83 68.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.878 -0.601 . . . . 10.0 111.226 179.524 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 561' ' ' LYS . . . . . 0.744 ' HA ' ' HE3' ' D' ' 561' ' ' LYS . 0.1 OUTLIER -99.25 -40.14 8.09 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 116.351 -0.386 . . . . 10.0 111.044 179.587 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -59.4 -45.21 92.14 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.813 0.671 . . . . 10.0 112.813 -179.017 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -55.3 -62.64 4.05 Favored Pre-proline 0 N--CA 1.463 0.216 0 N-CA-C 111.898 0.333 . . . . 10.0 111.898 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -61.53 -37.19 72.28 Favored 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 121.5 1.466 . . . . 10.0 111.616 179.287 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -61.23 -50.28 73.73 Favored 'General case' 0 C--O 1.22 -0.492 0 C-N-CA 121.362 -0.135 . . . . 10.0 110.682 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 42.6 mt -60.26 -43.74 95.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.68 0.276 . . . . 10.0 110.921 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -64.62 -52.26 58.38 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.209 0.528 . . . . 10.0 110.635 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -65.21 -40.06 93.63 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.828 -0.624 . . . . 10.0 112.365 -178.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 52.3 mt -62.98 -45.27 93.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.775 0.321 . . . . 10.0 110.354 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 570' ' ' ARG . . . . . 0.437 ' O ' ' HG ' ' D' ' 574' ' ' LEU . 60.6 mtt85 -66.72 -40.6 88.48 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.018 0.437 . . . . 10.0 110.405 179.162 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -66.54 -24.19 66.34 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.223 0.535 . . . . 10.0 110.266 178.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -89.9 -30.67 12.44 Favored Glycine 0 N--CA 1.443 -0.836 0 N-CA-C 110.697 -0.961 . . . . 10.0 110.697 178.625 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 28.5 mt -68.87 -37.25 78.95 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.533 -0.333 . . . . 10.0 110.881 179.417 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 574' ' ' LEU . . . . . 0.445 ' O ' ' HG2' ' D' ' 578' ' ' GLU . 96.7 mt -50.28 -61.91 3.23 Favored Pre-proline 0 CA--C 1.536 0.422 0 N-CA-C 112.882 0.697 . . . . 10.0 112.882 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -65.36 -33.55 47.31 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 121.887 1.724 . . . . 10.0 111.345 179.471 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 4.0 t -65.14 -45.62 93.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.644 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 72.0 mt -60.89 -40.6 93.64 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.465 -0.334 . . . . 10.0 110.102 179.215 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 578' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' D' ' 574' ' ' LEU . 15.5 mm-40 -64.4 -42.89 95.85 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.654 -0.498 . . . . 10.0 109.654 178.805 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 46.0 m -63.55 -40.72 97.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.0 -0.545 . . . . 10.0 109.751 178.55 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -64.47 -42.41 95.93 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.984 -0.553 . . . . 10.0 109.874 178.691 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -57.79 -49.36 76.87 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.182 178.455 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 582' ' ' VAL . . . . . 0.402 HG23 ' O ' ' D' ' 578' ' ' GLU . 91.3 t -60.37 -41.92 89.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.577 179.531 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 14.5 m -66.6 -40.06 88.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.677 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -69.82 -41.14 75.37 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.771 179.299 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 585' ' ' LEU . . . . . 0.403 ' O ' ' HG3' ' D' ' 589' ' ' GLU . 46.8 mt -59.69 -51.33 70.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 10.0 111.088 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 18.3 p -64.08 -30.9 71.94 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.974 0.416 . . . . 10.0 110.659 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 587' ' ' ALA . . . . . 0.474 ' HB2' ' HG2' ' A' ' 396' ' ' LYS . . . -69.92 -51.87 29.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.365 -0.38 . . . . 10.0 110.041 179.078 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 94.9 mt -59.92 -44.41 94.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.052 -0.522 . . . . 10.0 111.648 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 589' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' D' ' 585' ' ' LEU . 44.2 mt-10 -58.82 -53.15 61.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.878 0.37 . . . . 10.0 111.047 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -64.49 -36.46 84.25 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.454 -0.339 . . . . 10.0 111.908 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 3.1 m-30 -61.88 -43.46 98.79 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 116.264 -0.425 . . . . 10.0 110.421 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 9.9 m -65.83 -31.05 71.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.813 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -75.11 -47.72 27.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.22 -0.445 . . . . 10.0 111.012 179.606 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 594' ' ' LYS . . . . . 0.797 ' HD3' ' HB2' ' A' ' 388' ' ' SER . 0.1 OUTLIER -71.17 -38.03 72.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.312 -179.681 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 44.2 mt -98.68 50.43 0.98 Allowed 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.458 -0.571 . . . . 10.0 109.458 179.15 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 . . . . . 0 C--N 1.322 -0.599 0 CA-C-N 115.852 -0.613 . . . . 10.0 111.448 -179.29 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 6.8 m . . . . . 0 C--O 1.235 0.305 0 CA-C-O 120.79 0.329 . . . . 10.0 111.008 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.45 128.34 34.53 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 121.144 -0.222 . . . . 10.0 110.427 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -92.69 133.03 36.41 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.738 -0.468 . . . . 10.0 109.738 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -130.48 114.46 15.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.988 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.474 ' HA ' ' HB3' ' B' ' 54' ' ' ASP . 47.3 mttm -86.65 111.43 20.65 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.8 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.585 ' O ' ' HA ' ' B' ' 55' ' ' ILE . 20.6 mt -117.95 122.98 44.65 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.522 -179.144 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 7' ' ' VAL . . . . . 0.401 HG11 ' CD2' ' B' ' 71' ' ' TYR . 54.5 t -104.8 125.53 59.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-O 120.865 0.364 . . . . 10.0 110.925 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.519 ' HA ' ' HB3' ' B' ' 79' ' ' LEU . 21.3 t -85.61 119.62 34.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 108.92 -0.771 . . . . 10.0 108.92 179.394 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.0 m -125.9 151.81 32.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.964 0.411 . . . . 10.0 111.596 -178.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 156.18 176.31 28.15 Favored Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 115.808 -0.633 . . . . 10.0 111.533 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.74 -169.27 0.54 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.232 0.539 . . . . 10.0 111.993 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -94.69 152.93 18.07 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.608 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 70.27 16.72 73.52 Favored Glycine 0 N--CA 1.45 -0.376 0 CA-C-N 115.885 -0.598 . . . . 10.0 112.985 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.438 ' HA ' ' HB2' ' B' ' 83' ' ' ALA . 33.7 m -93.1 -22.09 5.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.752 0.311 . . . . 10.0 111.113 -179.697 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 101.12 22.36 10.78 Favored Glycine 0 CA--C 1.52 0.347 0 C-N-CA 120.987 -0.625 . . . . 10.0 114.516 179.053 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' LYS . . . . . 0.491 ' HD2' HG12 ' B' ' 8' ' ' VAL . 31.2 mtmm -54.07 -56.93 13.39 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 117.248 0.524 . . . . 10.0 112.049 179.733 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 49.2 m -63.41 -50.08 71.22 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.08 -0.509 . . . . 10.0 112.322 -179.145 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.14 -48.38 73.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.62 -0.264 . . . . 10.0 111.356 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 54.6 tp -58.01 -38.32 75.94 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.921 0.391 . . . . 10.0 110.59 179.519 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 30.6 m -69.66 -42.28 74.41 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.421 179.282 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 98.9 mt -66.37 -34.85 72.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.968 -0.56 . . . . 10.0 110.431 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' GLN . . . . . 0.673 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 17.4 mm-40 -61.27 -23.54 65.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.889 -0.596 . . . . 10.0 111.027 179.186 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.403 ' O ' ' HE2' ' B' ' 42' ' ' LYS . 11.3 tp -96.7 -40.14 9.13 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.367 -0.379 . . . . 10.0 111.248 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.496 ' HA ' ' HD2' ' B' ' 42' ' ' LYS . 40.0 mm -72.06 -65.31 0.67 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.368 0 CA-C-N 116.255 -0.429 . . . . 10.0 112.11 -179.211 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -90.71 -16.96 27.58 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.102 0.477 . . . . 10.0 111.084 -178.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' ASN . . . . . 0.673 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 58.8 m-80 69.74 55.13 0.36 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.324 -0.853 . . . . 10.0 113.115 179.028 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -166.09 165.66 17.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.383 -0.371 . . . . 10.0 111.012 179.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' PHE . . . . . 0.506 ' HB2' ' NE2' ' B' ' 22' ' ' GLN . 64.6 t80 -106.48 142.98 35.25 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.385 0.612 . . . . 10.0 112.079 -179.104 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 2.0 m -102.81 105.18 17.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.361 -0.836 . . . . 10.0 109.546 179.03 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -65.26 -45.65 83.68 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.002 -0.544 . . . . 10.0 111.45 -179.261 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -70.36 150.79 45.93 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.246 -0.434 . . . . 10.0 110.274 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -94.81 137.0 34.46 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.527 -179.168 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -142.58 103.86 5.42 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.135 178.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -52.06 120.15 6.8 Favored 'Trans proline' 0 CA--C 1.529 0.257 0 C-N-CA 122.851 2.367 . . . . 10.0 111.267 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.9 116.28 27.69 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.584 -0.28 . . . . 10.0 110.797 -178.558 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.734 ' HA ' ' HB2' ' B' ' 59' ' ' ALA . 43.3 mm -83.2 -43.58 18.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 123.663 0.602 . . . . 10.0 111.243 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 37' ' ' GLU . . . . . 0.457 ' HG2' HD11 ' B' ' 56' ' ' LEU . 4.9 tt0 -162.84 109.31 1.2 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.853 0.359 . . . . 10.0 111.302 -179.691 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 38' ' ' ASP . . . . . 0.403 ' HB3' ' CE1' ' B' ' 40' ' ' TYR . 0.3 OUTLIER -124.63 136.57 54.04 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.441 -0.345 . . . . 10.0 110.469 179.743 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 10.8 m -106.49 130.25 54.31 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.675 0.274 . . . . 10.0 111.306 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' TYR . . . . . 0.403 ' CE1' ' HB3' ' B' ' 38' ' ' ASP . 99.4 m-85 -130.71 124.73 32.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.414 -0.357 . . . . 10.0 110.551 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -117.98 129.82 55.82 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.793 0.33 . . . . 10.0 111.098 179.702 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 42' ' ' LYS . . . . . 0.496 ' HD2' ' HA ' ' B' ' 24' ' ' ILE . 45.6 tttp -143.41 136.16 27.5 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.462 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -101.04 114.09 27.7 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.279 -0.418 . . . . 10.0 109.976 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 15.4 m -131.99 169.02 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.059 0.457 . . . . 10.0 111.089 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 84.6 t -102.75 119.29 50.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 109.64 -0.504 . . . . 10.0 109.64 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 49.3 mt -120.48 118.57 57.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.681 -0.236 . . . . 10.0 110.41 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' ASP . . . . . 0.474 ' OD2' ' HD3' ' B' ' 161' ' ' ARG . 30.8 m-20 61.24 23.79 13.97 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 116.027 -0.533 . . . . 10.0 111.972 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.0 4.24 72.28 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.82 -0.705 . . . . 10.0 112.113 -179.544 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -115.65 118.75 33.95 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.947 -0.39 . . . . 10.0 109.947 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -68.23 119.39 12.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.56 -0.291 . . . . 10.0 110.276 179.658 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 28.4 m -125.14 142.38 51.53 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.14 0.495 . . . . 10.0 112.165 -179.01 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 47.7 tp -100.22 110.24 22.5 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 107.743 -1.206 . . . . 10.0 107.743 178.036 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 80.0 mt -84.59 120.95 26.94 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 112.88 0.696 . . . . 10.0 112.88 -177.684 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' ASP . . . . . 0.474 ' HB3' ' HA ' ' B' ' 5' ' ' LYS . 19.9 t0 -102.63 77.63 1.63 Allowed 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 107.143 -1.428 . . . . 10.0 107.143 177.582 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 55' ' ' ILE . . . . . 0.585 ' HA ' ' O ' ' B' ' 6' ' ' LEU . 72.0 mt -87.37 131.86 34.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.345 -0.843 . . . . 10.0 112.192 -177.808 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.457 HD11 ' HG2' ' B' ' 37' ' ' GLU . 44.0 tp -119.14 116.44 26.34 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.479 -0.782 . . . . 10.0 110.857 179.41 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -91.46 113.64 25.96 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.369 -0.975 . . . . 10.0 108.369 178.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 39.1 p -100.56 -177.91 3.63 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.559 0.577 . . . . 10.0 112.559 -178.438 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' ALA . . . . . 0.734 ' HB2' ' HA ' ' B' ' 36' ' ' ILE . . . -81.19 -176.35 5.93 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.336 0.588 . . . . 10.0 111.909 -179.417 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -151.49 28.56 0.96 Allowed Glycine 0 N--CA 1.445 -0.738 0 N-CA-C 110.351 -1.1 . . . . 10.0 110.351 179.36 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 -100.78 8.55 43.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.353 -0.423 . . . . 10.0 111.653 -179.012 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.724 ' HG3' ' H ' ' B' ' 63' ' ' GLU . 11.1 tp10 59.57 -152.75 0.39 Allowed 'General case' 0 N--CA 1.466 0.33 0 O-C-N 123.706 0.629 . . . . 10.0 110.121 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 63' ' ' GLU . . . . . 0.724 ' H ' ' HG3' ' B' ' 62' ' ' GLU . 0.5 OUTLIER 72.93 -49.55 0.7 Allowed 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 112.851 0.686 . . . . 10.0 112.851 179.273 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 64' ' ' TYR . . . . . 0.535 ' HB3' ' HB3' ' B' ' 67' ' ' MET . 4.5 m-85 -76.87 81.36 3.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.915 0.388 . . . . 10.0 111.919 -179.403 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 17.8 m -84.62 -31.92 23.99 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.106 0.479 . . . . 10.0 110.325 179.418 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.13 -39.48 33.48 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.736 -0.665 . . . . 10.0 110.865 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 67' ' ' MET . . . . . 0.535 ' HB3' ' HB3' ' B' ' 64' ' ' TYR . 23.6 ttt -65.52 -39.36 91.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.097 0.475 . . . . 10.0 109.951 179.058 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 68' ' ' ARG . . . . . 0.663 ' HA ' ' CE1' ' B' ' 71' ' ' TYR . 26.8 ttp180 -62.26 -40.94 97.89 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 115.625 -0.716 . . . . 10.0 110.316 179.447 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -60.13 -38.04 81.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.706 -0.679 . . . . 10.0 110.437 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -62.77 -58.86 5.97 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.022 -0.536 . . . . 10.0 112.355 -178.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 71' ' ' TYR . . . . . 0.663 ' CE1' ' HA ' ' B' ' 68' ' ' ARG . 10.5 p90 -67.28 -19.65 65.52 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 113.704 1.001 . . . . 10.0 113.704 -178.006 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 72' ' ' MET . . . . . 0.551 ' HA ' ' HZ ' ' B' ' 78' ' ' PHE . 35.4 mtt -70.37 -24.47 62.97 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.149 0.499 . . . . 10.0 110.898 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -77.01 -49.78 14.64 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.0 -0.546 . . . . 10.0 110.152 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.37 -37.72 83.62 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.555 -0.748 . . . . 10.0 111.826 -179.315 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.63 125.47 20.15 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.896 -0.669 . . . . 10.0 112.323 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -88.75 -41.35 12.6 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.264 0.554 . . . . 10.0 109.677 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 77' ' ' GLY . . . . . 0.417 ' O ' ' HA ' ' B' ' 6' ' ' LEU . . . -117.0 145.76 18.75 Favored Glycine 0 N--CA 1.443 -0.849 0 N-CA-C 110.284 -1.126 . . . . 10.0 110.284 178.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 78' ' ' PHE . . . . . 0.551 ' HZ ' ' HA ' ' B' ' 72' ' ' MET . 80.3 m-85 -120.9 142.18 49.93 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.179 0.514 . . . . 10.0 112.105 -178.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.519 ' HB3' ' HA ' ' B' ' 8' ' ' VAL . 12.3 tp -113.06 97.27 6.41 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.535 -0.757 . . . . 10.0 110.126 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 80' ' ' CYS . . . . . 0.54 ' HB3' HD12 ' B' ' 93' ' ' ILE . 29.8 m -79.42 97.87 6.54 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.145 -0.479 . . . . 10.0 110.147 179.25 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 48.0 t -105.05 121.47 57.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.871 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 82' ' ' PHE . . . . . 0.409 ' HB3' HD11 ' B' ' 93' ' ' ILE . 38.5 p90 -130.32 165.67 21.99 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.667 -0.697 . . . . 10.0 110.279 179.119 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.438 ' HB2' ' HA ' ' B' ' 14' ' ' VAL . . . -101.98 127.92 48.63 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.169 -0.678 . . . . 10.0 109.169 178.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 43.9 pt -68.27 -8.72 9.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.926 0.393 . . . . 10.0 111.638 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -102.86 8.99 39.13 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.423 179.34 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 38.1 t-20 -135.13 115.96 14.0 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.506 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.01 -30.15 62.31 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.772 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -59.83 -42.61 93.95 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.849 179.57 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 89' ' ' SER . . . . . 0.419 ' O ' HG12 ' B' ' 93' ' ' ILE . 0.9 OUTLIER -68.28 -34.67 76.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 10.0 111.414 -179.705 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -65.67 -43.87 87.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.66 0.267 . . . . 10.0 111.377 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -70.25 -31.2 68.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.361 -0.381 . . . . 10.0 110.277 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.51 -32.09 72.11 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.809 -0.632 . . . . 10.0 111.243 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 93' ' ' ILE . . . . . 0.54 HD12 ' HB3' ' B' ' 80' ' ' CYS . 51.8 mm -58.53 -38.13 68.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.001 -0.545 . . . . 10.0 111.086 -179.516 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -65.52 -51.37 60.47 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.997 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -63.49 -34.46 77.81 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.875 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 96' ' ' TYR . . . . . 0.499 ' O ' HG13 ' B' ' 100' ' ' ILE . 2.2 m-85 -69.89 -41.83 74.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.45 179.212 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 47.0 ttt-85 -64.93 -41.7 95.31 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.537 -179.509 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -59.56 -40.09 86.18 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.374 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 99' ' ' GLN . . . . . 0.451 ' O ' HG23 ' B' ' 103' ' ' VAL . 47.4 tt0 -66.29 -43.09 87.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.359 -0.382 . . . . 10.0 110.998 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 100' ' ' ILE . . . . . 0.499 HG13 ' O ' ' B' ' 96' ' ' TYR . 77.3 mt -54.52 -45.63 70.95 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 CA-C-O 121.282 0.563 . . . . 10.0 110.696 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 101' ' ' LYS . . . . . 0.475 ' HB2' ' HE3' ' B' ' 101' ' ' LYS . 38.4 mtmt -59.81 -39.38 84.83 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.659 -0.7 . . . . 10.0 111.902 -179.553 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 7.3 tmm_? -74.51 -43.77 54.4 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.39 -0.368 . . . . 10.0 111.507 -179.425 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 103' ' ' VAL . . . . . 0.451 HG23 ' O ' ' B' ' 99' ' ' GLN . 93.0 t -61.66 -45.97 97.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.1 -0.5 . . . . 10.0 112.185 -179.451 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 104' ' ' LYS . . . . . 0.479 ' HD2' ' HE2' ' B' ' 78' ' ' PHE . 26.8 mtpp -85.72 -7.24 58.91 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.937 0.347 . . . . 10.0 111.937 -179.019 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 4.3 t70 59.6 50.66 7.08 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 123.695 0.622 . . . . 10.0 111.44 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 58.0 m -156.56 131.89 9.29 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.016 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -73.62 -28.32 61.74 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.302 -0.629 . . . . 10.0 109.302 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -90.12 119.16 30.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.315 -0.857 . . . . 10.0 111.056 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 4.6 t -133.05 112.97 13.46 Favored Pre-proline 0 C--O 1.239 0.533 0 CA-C-N 115.817 -0.628 . . . . 10.0 110.203 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.73 106.36 1.08 Allowed 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 122.512 2.141 . . . . 10.0 111.371 179.542 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 59.0 mtm -147.09 161.35 41.02 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.297 -179.214 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 93.4 t -133.73 134.15 56.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.153 -0.684 . . . . 10.0 109.153 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 113' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' B' ' 113' ' ' LEU . 13.3 tp -77.53 124.85 28.45 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.997 -0.371 . . . . 10.0 109.997 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 95.7 t -120.53 122.87 69.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.308 -0.405 . . . . 10.0 111.136 -179.25 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -114.36 111.36 2.56 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 110.304 -1.118 . . . . 10.0 110.304 178.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 116' ' ' ASN . . . . . 0.575 ' HA ' ' O ' ' B' ' 144' ' ' THR . 63.4 t30 -97.81 165.22 12.05 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.576 0.227 . . . . 10.0 110.768 -179.149 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 117' ' ' LYS . . . . . 0.457 ' HB3' HD12 ' B' ' 120' ' ' LEU . 53.6 mttt 72.28 28.42 2.38 Favored 'General case' 0 C--O 1.232 0.17 0 N-CA-C 112.734 0.642 . . . . 10.0 112.734 179.21 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 79.3 m -65.89 -15.88 63.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.948 0.404 . . . . 10.0 111.517 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -82.85 -3.12 56.42 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.159 -0.473 . . . . 10.0 111.492 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 120' ' ' LEU . . . . . 0.457 HD12 ' HB3' ' B' ' 117' ' ' LYS . 17.7 mt -79.82 142.09 56.2 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.418 -0.355 . . . . 10.0 110.104 178.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -74.94 141.29 26.63 Favored 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 122.535 2.157 . . . . 10.0 112.359 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 16.5 m 58.32 78.42 0.25 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.522 -0.763 . . . . 10.0 112.536 179.223 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 12.6 ptp180 -87.2 137.83 32.01 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.451 -0.341 . . . . 10.0 110.249 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 10.5 m -75.15 -53.48 8.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.653 0.263 . . . . 10.0 110.467 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 60.9 t -81.52 103.21 8.28 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 N-CA-C 109.726 -0.472 . . . . 10.0 109.726 179.168 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -75.18 164.2 26.73 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.827 -0.624 . . . . 10.0 110.479 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 127' ' ' THR . . . . . 0.576 HG22 ' HE2' ' B' ' 141' ' ' PHE . 0.0 OUTLIER -65.06 -39.62 93.53 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 112.355 0.502 . . . . 10.0 112.355 -179.141 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 39.6 pttt -52.24 -48.64 65.07 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 113.732 1.012 . . . . 10.0 113.732 -178.591 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.56 -42.36 95.73 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.06 0.393 . . . . 10.0 112.06 -179.301 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -71.15 -36.87 72.22 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.223 -0.444 . . . . 10.0 111.09 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 131' ' ' GLN . . . . . 0.461 ' HB3' ' NH1' ' C' ' 161' ' ' ARG . 94.9 mt-30 -66.36 -47.88 71.98 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.307 -0.406 . . . . 10.0 111.154 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -64.36 -35.66 81.59 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.786 0.327 . . . . 10.0 110.759 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 18.6 tp -65.7 -42.07 91.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.161 0.505 . . . . 10.0 110.263 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.83 -31.15 71.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.773 -0.649 . . . . 10.0 110.58 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -60.77 -42.42 97.45 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.682 -0.69 . . . . 10.0 110.685 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 17.0 m -67.91 -28.8 67.81 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.061 0.458 . . . . 10.0 111.903 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -85.64 -24.16 27.2 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.413 -0.358 . . . . 10.0 111.249 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 84.68 34.6 15.5 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.965 -0.636 . . . . 10.0 111.582 -179.091 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 47.1 pt -128.53 158.05 73.0 Favored Pre-proline 0 C--N 1.327 -0.389 0 N-CA-C 110.182 -0.303 . . . . 10.0 110.182 -179.556 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -87.55 157.95 7.85 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.525 2.15 . . . . 10.0 112.122 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 141' ' ' PHE . . . . . 0.576 ' HE2' HG22 ' B' ' 127' ' ' THR . 45.2 t80 -133.86 114.13 12.99 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.957 -0.565 . . . . 10.0 109.795 179.455 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 40.2 mt -117.53 130.42 72.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.506 -0.316 . . . . 10.0 110.399 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -65.01 136.18 56.48 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 108.896 -0.779 . . . . 10.0 108.896 178.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 144' ' ' THR . . . . . 0.575 ' O ' ' HA ' ' B' ' 116' ' ' ASN . 26.0 m -130.23 147.19 51.93 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.366 0.603 . . . . 10.0 112.476 -177.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 40.0 t -143.63 102.64 3.96 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.897 -0.779 . . . . 10.0 108.897 177.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 146' ' ' ALA . . . . . 0.413 ' HB1' ' HG3' ' B' ' 22' ' ' GLN . . . -68.66 -32.39 72.18 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.069 0.461 . . . . 10.0 110.205 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 31.1 tttp -54.71 -41.75 70.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.463 -0.79 . . . . 10.0 111.916 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.82 11.7 24.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.421 . . . . 10.0 111.817 -179.241 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 50.5 60.28 3.96 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.389 0.614 . . . . 10.0 111.476 -179.463 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -130.61 119.76 22.98 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.82 -0.627 . . . . 10.0 111.375 -178.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 80.77 -4.8 67.76 Favored Glycine 0 C--O 1.229 -0.188 0 C-N-CA 121.195 -0.526 . . . . 10.0 113.214 178.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 31.6 t -63.59 -55.95 19.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.064 0.459 . . . . 10.0 110.822 -179.416 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -63.34 -39.59 94.96 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.748 -0.66 . . . . 10.0 111.673 -179.331 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -57.99 -52.14 66.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.152 -179.331 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.23 -43.91 95.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 10.0 111.702 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -61.2 -42.96 99.51 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.121 -0.491 . . . . 10.0 111.344 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 21.8 m-30 -67.82 -42.54 81.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.344 -0.389 . . . . 10.0 110.264 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 158' ' ' THR . . . . . 0.441 ' O ' ' HG2' ' B' ' 162' ' ' GLU . 94.2 m -60.4 -39.84 88.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.092 -0.504 . . . . 10.0 111.167 179.739 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 159' ' ' LEU . . . . . 0.436 HD22 HD13 ' B' ' 79' ' ' LEU . 20.9 tp -57.13 -46.49 82.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.096 0.474 . . . . 10.0 111.09 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 53.6 t -74.05 -34.77 39.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.258 0.551 . . . . 10.0 110.409 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 161' ' ' ARG . . . . . 0.474 ' HD3' ' OD2' ' B' ' 47' ' ' ASP . 10.3 ttp180 -62.05 -41.73 98.45 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.637 -0.71 . . . . 10.0 111.293 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 162' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' B' ' 158' ' ' THR . 35.9 mm-40 -61.4 -35.82 78.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.783 0.325 . . . . 10.0 110.924 179.293 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 66.2 mt -66.58 -41.53 88.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 109.707 -0.479 . . . . 10.0 109.707 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 38.0 ttm105 -70.27 -32.56 70.44 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.077 -0.511 . . . . 10.0 110.082 179.323 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt . . . . . 0 C--N 1.331 -0.218 0 CA-C-N 115.895 -0.593 . . . . 10.0 109.949 179.143 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 121.059 0.457 . . . . 10.0 110.973 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 2' ' ' THR . . . . . 0.502 ' HB ' ' CE2' ' C' ' 4' ' ' TYR . 0.0 OUTLIER -77.23 130.12 36.82 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.674 -179.563 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -97.67 134.97 40.14 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.354 -0.385 . . . . 10.0 110.201 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 4' ' ' TYR . . . . . 0.502 ' CE2' ' HB ' ' C' ' 2' ' ' THR . 95.8 m-85 -126.18 117.67 23.6 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.287 -0.415 . . . . 10.0 109.949 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 5' ' ' LYS . . . . . 0.567 ' HA ' ' HB3' ' C' ' 54' ' ' ASP . 51.5 mttm -82.41 114.56 20.94 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.067 -0.515 . . . . 10.0 111.323 -179.358 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 6' ' ' LEU . . . . . 0.634 HD22 ' HG ' ' C' ' 159' ' ' LEU . 11.5 mt -110.71 117.24 32.94 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.595 -0.729 . . . . 10.0 110.758 -178.586 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 7' ' ' VAL . . . . . 0.412 HG12 HG13 ' C' ' 9' ' ' VAL . 48.0 t -102.54 117.67 48.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 120.743 0.306 . . . . 10.0 110.884 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.601 HG12 ' HD2' ' C' ' 16' ' ' LYS . 24.6 t -87.61 111.67 22.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 109.507 -0.553 . . . . 10.0 109.507 179.576 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 9' ' ' VAL . . . . . 0.412 HG13 HG12 ' C' ' 7' ' ' VAL . 11.7 m -119.54 154.98 22.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.433 -0.349 . . . . 10.0 111.137 -179.202 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 154.72 -176.2 32.55 Favored Glycine 0 N--CA 1.443 -0.873 0 N-CA-C 110.889 -0.884 . . . . 10.0 110.889 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.1 -173.3 1.25 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.029 0.442 . . . . 10.0 111.753 -179.248 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -97.62 143.86 27.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 68.57 26.22 74.52 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.864 -0.684 . . . . 10.0 112.678 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 26.8 m -99.41 -12.19 8.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 111.983 0.364 . . . . 10.0 111.983 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 15' ' ' GLY . . . . . 0.543 ' HA3' ' ND2' ' C' ' 116' ' ' ASN . . . 105.33 23.38 7.66 Favored Glycine 0 CA--C 1.516 0.097 0 C-N-CA 120.825 -0.702 . . . . 10.0 113.246 179.509 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 16' ' ' LYS . . . . . 0.601 ' HD2' HG12 ' C' ' 8' ' ' VAL . 12.4 mtmm -62.0 -42.5 99.22 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.981 0.42 . . . . 10.0 111.937 -179.535 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 46.1 m -85.45 -34.91 21.55 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.323 -0.399 . . . . 10.0 111.29 -178.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.82 -43.72 90.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.015 0.436 . . . . 10.0 110.252 179.289 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 19' ' ' LEU . . . . . 0.531 HD23 HG13 ' C' ' 152' ' ' VAL . 0.9 OUTLIER -61.3 -49.62 76.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.78 -0.646 . . . . 10.0 110.535 179.337 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 4.5 m -64.06 -45.93 86.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.859 -0.61 . . . . 10.0 112.368 -179.396 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 97.4 mt -62.76 -37.72 79.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 CA-C-O 120.786 0.327 . . . . 10.0 110.996 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 22' ' ' GLN . . . . . 0.576 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 8.2 mm-40 -65.34 -16.7 63.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.903 0.382 . . . . 10.0 110.703 179.124 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 23' ' ' LEU . . . . . 0.411 ' HA ' HH21 ' C' ' 149' ' ' ARG . 2.6 tp -98.7 -42.97 6.99 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.954 0.407 . . . . 10.0 110.931 179.746 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 24' ' ' ILE . . . . . 0.483 HD11 HD12 ' C' ' 55' ' ' ILE . 50.8 mm -74.07 -58.94 3.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.842 -0.617 . . . . 10.0 112.092 -179.001 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -95.88 -17.67 20.92 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.646 0.26 . . . . 10.0 111.558 -179.413 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 26' ' ' ASN . . . . . 0.576 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 3.5 t-20 67.99 49.2 0.91 Allowed 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 113.496 0.924 . . . . 10.0 113.496 177.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 9.1 p80 -153.17 151.76 30.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.488 -0.324 . . . . 10.0 110.345 178.221 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -92.5 131.4 37.67 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.384 0.611 . . . . 10.0 111.806 -179.352 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 21.3 t -97.13 114.79 35.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.607 -0.724 . . . . 10.0 109.074 178.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -72.35 -33.29 67.17 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.338 -0.392 . . . . 10.0 110.603 -179.291 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -79.45 161.22 26.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 10.0 111.367 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -106.0 120.36 41.56 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.344 -0.389 . . . . 10.0 110.312 179.496 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 33' ' ' ASP . . . . . 0.429 ' OD2' HG23 ' C' ' 35' ' ' THR . 24.3 t70 -114.12 111.75 47.41 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 116.467 -0.333 . . . . 10.0 111.271 179.523 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -72.74 78.06 2.15 Favored 'Trans proline' 0 N--CA 1.461 -0.398 0 C-N-CA 122.828 2.352 . . . . 10.0 111.005 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 35' ' ' THR . . . . . 0.429 HG23 ' OD2' ' C' ' 33' ' ' ASP . 0.0 OUTLIER -71.34 121.9 19.34 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.673 -0.694 . . . . 10.0 111.288 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 43.5 mm -71.31 -46.56 64.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 O-C-N 123.7 0.625 . . . . 10.0 110.007 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -166.83 101.67 0.56 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.329 -0.851 . . . . 10.0 109.295 -179.601 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -119.34 115.33 23.9 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.842 0.353 . . . . 10.0 111.597 -178.808 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.25 145.37 24.72 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.269 179.673 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -138.03 140.41 40.09 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.41 -0.359 . . . . 10.0 110.28 179.699 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 41' ' ' ARG . . . . . 0.487 ' HA ' ' O ' ' C' ' 53' ' ' LEU . 0.9 OUTLIER -118.05 136.61 53.44 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.871 -179.849 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 42' ' ' LYS . . . . . 0.502 ' HB3' HD12 ' C' ' 53' ' ' LEU . 40.0 tttp -151.52 125.41 9.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.342 -0.39 . . . . 10.0 110.532 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -98.4 115.35 28.3 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.517 -0.549 . . . . 10.0 109.517 179.321 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 2.0 m -135.5 164.44 32.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.95 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 68.9 t -103.47 104.25 16.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 109.473 -0.566 . . . . 10.0 109.473 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 34.4 mt -112.8 131.31 64.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.719 -0.673 . . . . 10.0 109.513 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 61.97 20.31 11.44 Favored 'General case' 0 C--N 1.328 -0.33 0 O-C-N 123.675 0.61 . . . . 10.0 110.279 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.84 7.63 85.45 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.935 -0.65 . . . . 10.0 111.99 -178.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -115.2 127.1 55.3 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.782 0.325 . . . . 10.0 110.625 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -68.88 114.5 7.25 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.705 -0.85 . . . . 10.0 108.705 178.359 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 18.2 m -121.56 148.19 44.83 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.056 0.455 . . . . 10.0 111.866 -178.152 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 65.4 tp -107.67 120.52 42.46 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 108.564 -0.902 . . . . 10.0 108.564 178.414 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 53' ' ' LEU . . . . . 0.502 HD12 ' HB3' ' C' ' 42' ' ' LYS . 22.0 mt -88.19 120.6 29.7 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 112.484 0.55 . . . . 10.0 112.484 -178.654 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 54' ' ' ASP . . . . . 0.567 ' HB3' ' HA ' ' C' ' 5' ' ' LYS . 28.4 t70 -106.65 74.65 1.02 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 106.918 -1.512 . . . . 10.0 106.918 177.141 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 55' ' ' ILE . . . . . 0.483 HD12 HD11 ' C' ' 24' ' ' ILE . 8.5 mt -79.4 143.55 12.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.397 -0.82 . . . . 10.0 112.394 -177.258 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 24.9 tp -133.14 107.59 8.29 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.596 -0.729 . . . . 10.0 110.697 179.15 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -86.86 116.75 25.14 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.275 -0.639 . . . . 10.0 109.275 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 70.6 p -105.8 174.18 5.99 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.02 0.378 . . . . 10.0 112.02 -178.484 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -94.8 140.06 30.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.413 -0.358 . . . . 10.0 110.118 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -111.48 36.54 4.14 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.577 -0.82 . . . . 10.0 112.376 -179.387 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -103.27 22.49 14.04 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.981 0.42 . . . . 10.0 110.814 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 62' ' ' GLU . . . . . 0.484 ' HB3' ' H ' ' C' ' 63' ' ' GLU . 34.7 mm-40 59.62 -154.82 0.36 Allowed 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.373 -0.83 . . . . 10.0 111.755 -179.539 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 63' ' ' GLU . . . . . 0.484 ' H ' ' HB3' ' C' ' 62' ' ' GLU . 0.7 OUTLIER 73.7 -46.77 0.64 Allowed 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.29 0.636 . . . . 10.0 112.069 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 64' ' ' TYR . . . . . 0.764 ' HB3' ' HB3' ' C' ' 67' ' ' MET . 51.6 m-85 -76.19 65.79 2.22 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.253 0.464 . . . . 10.0 112.253 -179.05 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.87 -40.87 62.92 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 121.037 0.446 . . . . 10.0 110.218 179.108 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -77.46 -40.24 43.89 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.92 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 67' ' ' MET . . . . . 0.764 ' HB3' ' HB3' ' C' ' 64' ' ' TYR . 19.1 ttt -63.61 -38.32 90.67 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.325 0.584 . . . . 10.0 110.087 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 68' ' ' ARG . . . . . 0.612 ' HA ' ' CZ ' ' C' ' 71' ' ' TYR . 22.8 ttp180 -62.36 -34.93 77.62 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.862 -0.608 . . . . 10.0 110.52 179.695 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 69' ' ' ASP . . . . . 0.42 ' OD1' HG22 ' C' ' 103' ' ' VAL . 8.6 t70 -70.41 -23.84 62.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.514 -0.766 . . . . 10.0 111.154 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -81.12 -56.32 4.17 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.652 0.612 . . . . 10.0 112.652 -179.125 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 71' ' ' TYR . . . . . 0.612 ' CZ ' ' HA ' ' C' ' 68' ' ' ARG . 5.2 p90 -66.48 -23.54 66.28 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 113.033 0.753 . . . . 10.0 113.033 -178.746 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 72' ' ' MET . . . . . 0.476 ' HA ' ' HE1' ' C' ' 78' ' ' PHE . 41.7 mtt -78.32 -8.56 58.55 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.409 0.623 . . . . 10.0 110.671 178.834 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 16.4 ttm180 -86.61 -49.64 7.38 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.095 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -75.57 -32.06 60.25 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.248 0.462 . . . . 10.0 112.248 -179.293 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.39 144.37 47.34 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 121.091 -0.576 . . . . 10.0 113.188 -179.138 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -101.13 -62.49 1.24 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.901 0.382 . . . . 10.0 110.147 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -97.4 129.48 9.91 Favored Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 111.105 -0.798 . . . . 10.0 111.105 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 78' ' ' PHE . . . . . 0.476 ' HE1' ' HA ' ' C' ' 72' ' ' MET . 93.4 m-85 -107.62 126.48 52.62 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.008 0.432 . . . . 10.0 111.522 -179.091 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 79' ' ' LEU . . . . . 0.749 HD13 HD22 ' C' ' 159' ' ' LEU . 14.5 tp -97.88 104.54 16.58 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.587 -0.733 . . . . 10.0 109.644 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 80' ' ' CYS . . . . . 0.47 ' HB3' HD12 ' C' ' 93' ' ' ILE . 1.7 m -84.49 88.53 7.31 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.366 -0.379 . . . . 10.0 110.108 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 57.2 t -92.67 116.57 34.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.046 0.45 . . . . 10.0 110.925 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 82' ' ' PHE . . . . . 0.858 ' HB2' ' HB2' ' C' ' 89' ' ' SER . 7.2 p90 -132.22 145.55 51.4 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.008 -0.542 . . . . 10.0 110.63 179.148 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 83' ' ' ALA . . . . . 0.607 ' HB1' ' OD1' ' C' ' 85' ' ' ASN . . . -83.56 125.31 31.66 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.52 -0.548 . . . . 10.0 109.52 179.598 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 84' ' ' ILE . . . . . 0.805 HD11 ' HA ' ' C' ' 118' ' ' CYS . 8.9 pt -70.15 -12.41 16.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 112.087 0.403 . . . . 10.0 112.087 -179.227 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 85' ' ' ASN . . . . . 0.607 ' OD1' ' HB1' ' C' ' 83' ' ' ALA . 18.6 p-10 -91.96 -5.65 52.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.053 -0.522 . . . . 10.0 110.613 179.205 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -123.3 112.65 17.87 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.075 0.465 . . . . 10.0 110.066 179.477 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.3 -31.31 72.43 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.787 -0.642 . . . . 10.0 112.136 -179.135 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 23.0 tptp -61.05 -39.35 89.49 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.23 0.456 . . . . 10.0 112.23 -179.096 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 89' ' ' SER . . . . . 0.858 ' HB2' ' HB2' ' C' ' 82' ' ' PHE . 0.0 OUTLIER -62.93 -36.83 84.7 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.675 0.274 . . . . 10.0 111.253 179.867 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 90' ' ' PHE . . . . . 0.555 ' HB2' HG21 ' C' ' 125' ' ' VAL . 67.2 t80 -66.47 -39.78 88.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.466 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -67.88 -42.2 81.62 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.396 179.459 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -63.02 -24.03 67.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.596 -0.729 . . . . 10.0 112.477 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 93' ' ' ILE . . . . . 0.612 HD11 ' HB3' ' C' ' 82' ' ' PHE . 23.5 mm -57.71 -45.63 86.79 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-O 120.917 0.389 . . . . 10.0 110.653 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 65.9 t60 -65.83 -47.93 73.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.181 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -57.57 -41.44 81.09 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.819 -0.628 . . . . 10.0 111.229 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 9.9 m-30 -70.2 -37.26 75.06 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.642 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 97' ' ' ARG . . . . . 0.449 ' HG3' ' SD ' ' C' ' 111' ' ' MET . 28.0 ttt-85 -65.72 -41.0 92.79 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 120.957 0.408 . . . . 10.0 110.474 179.223 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -59.42 -39.12 82.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.568 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 99' ' ' GLN . . . . . 0.525 ' O ' HG23 ' C' ' 103' ' ' VAL . 5.3 tt0 -66.4 -45.33 80.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.107 179.095 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 95.7 mt -55.57 -47.75 78.36 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.599 179.384 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 101' ' ' LYS . . . . . 0.414 ' HD2' ' HA ' ' C' ' 107' ' ' GLU . 10.9 mtmt -60.85 -35.45 76.61 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.658 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 5.8 tmm_? -71.43 -46.28 60.49 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.894 -0.593 . . . . 10.0 110.935 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 103' ' ' VAL . . . . . 0.525 HG23 ' O ' ' C' ' 99' ' ' GLN . 99.4 t -61.63 -49.66 83.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.048 -0.523 . . . . 10.0 111.497 -179.111 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 17.1 mtpp -87.18 -6.47 58.61 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.638 0.607 . . . . 10.0 112.638 -178.113 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 22.7 t0 52.24 45.48 28.34 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.228 0.611 . . . . 10.0 111.932 -179.341 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 67.2 m -150.59 145.75 26.11 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.258 -0.883 . . . . 10.0 109.816 179.575 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 107' ' ' GLU . . . . . 0.414 ' HA ' ' HD2' ' C' ' 101' ' ' LYS . 17.9 tp10 -86.01 -43.25 13.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.117 0.484 . . . . 10.0 110.068 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -78.7 97.91 6.04 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.472 -0.785 . . . . 10.0 110.758 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 109' ' ' VAL . . . . . 0.439 ' HA ' ' HD3' ' C' ' 110' ' ' PRO . 72.1 t -129.24 130.55 23.37 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 115.899 -0.591 . . . . 10.0 110.502 -179.763 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 110' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' C' ' 109' ' ' VAL . 26.6 Cg_exo -63.05 107.06 0.59 Allowed 'Trans proline' 0 C--O 1.236 0.379 0 C-N-CA 122.815 2.343 . . . . 10.0 111.432 179.357 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 111' ' ' MET . . . . . 0.449 ' SD ' ' HG3' ' C' ' 97' ' ' ARG . 6.3 mtm -132.99 151.3 52.09 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.576 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 112' ' ' VAL . . . . . 0.507 HG21 ' HA ' ' C' ' 159' ' ' LEU . 46.3 t -128.67 115.53 37.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.069 -0.514 . . . . 10.0 109.739 179.556 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 18.9 tp -82.56 112.29 19.33 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.578 -0.527 . . . . 10.0 109.578 179.491 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 114' ' ' VAL . . . . . 0.423 HG23 HG12 ' C' ' 112' ' ' VAL . 59.9 t -115.37 124.2 71.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 116.031 -0.531 . . . . 10.0 111.705 -178.784 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -99.58 113.47 4.73 Favored Glycine 0 N--CA 1.441 -0.985 0 N-CA-C 109.669 -1.373 . . . . 10.0 109.669 178.343 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 116' ' ' ASN . . . . . 0.543 ' ND2' ' HA3' ' C' ' 15' ' ' GLY . 65.3 t30 -98.71 164.63 12.15 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 117.17 0.485 . . . . 10.0 111.153 -178.771 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 99.6 mttt 66.45 32.43 7.48 Favored 'General case' 0 C--O 1.233 0.227 0 O-C-N 123.757 0.66 . . . . 10.0 111.426 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 118' ' ' CYS . . . . . 0.805 ' HA ' HD11 ' C' ' 84' ' ' ILE . 67.8 m -73.33 -21.52 60.53 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.747 0.647 . . . . 10.0 112.747 -179.444 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 119' ' ' ASP . . . . . 0.418 ' OD2' ' HD2' ' C' ' 147' ' ' LYS . 1.5 p-10 -84.11 -3.77 58.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.791 0.329 . . . . 10.0 111.666 -179.274 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 29.8 mt -80.34 146.89 63.05 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 116.565 -0.289 . . . . 10.0 110.269 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -70.3 132.78 23.16 Favored 'Trans proline' 0 C--O 1.237 0.454 0 C-N-CA 122.528 2.152 . . . . 10.0 112.629 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 5.1 m 71.92 112.07 0.06 Allowed 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 113.229 0.826 . . . . 10.0 113.229 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 11.0 ptp180 -113.65 138.2 50.53 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.663 -0.699 . . . . 10.0 110.236 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 3.4 p -83.55 -41.9 17.41 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.082 0.468 . . . . 10.0 110.186 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 125' ' ' VAL . . . . . 0.555 HG21 ' HB2' ' C' ' 90' ' ' PHE . 50.4 t -95.22 106.57 18.39 Favored 'Isoleucine or valine' 0 C--O 1.238 0.469 0 N-CA-C 108.725 -0.842 . . . . 10.0 108.725 178.483 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 126' ' ' ASP . . . . . 0.476 ' HB3' ' HG2' ' C' ' 129' ' ' GLN . 14.3 t70 -64.92 147.2 53.81 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.793 -0.639 . . . . 10.0 110.045 179.652 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.25 -39.24 69.52 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.244 -0.435 . . . . 10.0 111.265 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 128' ' ' LYS . . . . . 0.44 ' HB3' ' HA ' ' B' ' 47' ' ' ASP . 36.6 mtmm -64.6 -44.28 91.09 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.383 0.512 . . . . 10.0 112.383 -178.742 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 129' ' ' GLN . . . . . 0.476 ' HG2' ' HB3' ' C' ' 126' ' ' ASP . 1.7 pt20 -74.83 -26.93 60.05 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.732 0.301 . . . . 10.0 111.706 -179.359 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 130' ' ' ALA . . . . . 0.495 ' HB2' HG12 ' C' ' 125' ' ' VAL . . . -75.27 -41.33 57.5 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.387 0.613 . . . . 10.0 109.822 179.34 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -74.24 -31.69 62.69 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.728 -0.669 . . . . 10.0 111.328 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 132' ' ' ASP . . . . . 0.488 ' O ' ' HB3' ' C' ' 135' ' ' ARG . 11.1 t70 -59.81 -38.34 81.71 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.151 0.5 . . . . 10.0 110.712 179.01 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 28.4 tp -63.3 -38.83 92.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.793 -0.64 . . . . 10.0 110.334 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 134' ' ' ALA . . . . . 0.473 ' HB1' ' O ' ' C' ' 139' ' ' ILE . . . -68.9 -22.91 64.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.569 -0.741 . . . . 10.0 110.996 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 135' ' ' ARG . . . . . 0.488 ' HB3' ' O ' ' C' ' 132' ' ' ASP . 3.7 tmm_? -62.96 -46.88 85.67 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.064 -0.516 . . . . 10.0 111.166 179.513 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 71.7 m -72.53 -25.83 61.53 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.233 -0.44 . . . . 10.0 111.306 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 12.6 m-30 -78.27 -45.65 22.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.998 0.427 . . . . 10.0 110.853 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 100.95 27.32 7.47 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.775 -0.726 . . . . 10.0 112.142 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 139' ' ' ILE . . . . . 0.473 ' O ' ' HB1' ' C' ' 134' ' ' ALA . 28.6 pt -125.77 148.91 63.96 Favored Pre-proline 0 C--N 1.328 -0.345 0 N-CA-C 110.31 -0.256 . . . . 10.0 110.31 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 140' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' C' ' 139' ' ' ILE . 6.4 Cg_exo -75.68 147.17 31.12 Favored 'Trans proline' 0 CA--C 1.534 0.52 0 C-N-CA 123.049 2.5 . . . . 10.0 112.318 179.667 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 141' ' ' PHE . . . . . 0.464 ' HE1' ' HE2' ' C' ' 82' ' ' PHE . 69.8 t80 -112.82 137.91 50.45 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.658 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 142' ' ' ILE . . . . . 0.435 ' CD1' ' HA ' ' C' ' 155' ' ' ALA . 22.2 mt -131.68 133.05 61.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.461 -0.336 . . . . 10.0 110.754 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -88.23 140.18 29.74 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.889 -0.782 . . . . 10.0 108.889 177.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 38.9 p -139.19 174.93 10.0 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.529 0.68 . . . . 10.0 112.358 -178.684 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 8.2 t -159.15 121.57 3.54 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.906 -1.043 . . . . 10.0 108.837 178.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -79.02 -25.67 43.25 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 109.679 -0.489 . . . . 10.0 109.679 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 147' ' ' LYS . . . . . 0.418 ' HD2' ' OD2' ' C' ' 119' ' ' ASP . 36.5 ttmt -70.76 -48.37 54.73 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.506 -0.77 . . . . 10.0 111.679 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 37.7 p -95.26 -5.23 44.16 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 113.156 0.798 . . . . 10.0 113.156 -178.546 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 149' ' ' ARG . . . . . 0.435 ' HG2' ' CD ' ' C' ' 22' ' ' GLN . 0.0 OUTLIER 61.66 54.18 3.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.026 0.441 . . . . 10.0 111.377 -179.715 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -120.73 140.41 51.69 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.317 -0.401 . . . . 10.0 110.892 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 80.42 -18.91 7.61 Favored Glycine 0 C--O 1.228 -0.268 0 N-CA-C 114.827 0.691 . . . . 10.0 114.827 178.045 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 152' ' ' VAL . . . . . 0.531 HG13 HD23 ' C' ' 19' ' ' LEU . 97.4 t -55.03 -47.65 76.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 117.353 0.576 . . . . 10.0 112.38 -179.012 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.08 -51.37 69.44 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.857 -179.522 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -60.91 -45.2 95.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.972 -0.558 . . . . 10.0 112.399 -179.528 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 155' ' ' ALA . . . . . 0.435 ' HA ' ' CD1' ' C' ' 142' ' ' ILE . . . -57.37 -53.09 62.05 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.216 -0.447 . . . . 10.0 112.111 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -66.3 -36.93 84.21 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.125 0.416 . . . . 10.0 112.125 -179.374 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -67.76 -42.63 81.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.808 0.337 . . . . 10.0 110.984 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 75.1 m -68.45 -31.84 71.42 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.338 -0.392 . . . . 10.0 111.452 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 159' ' ' LEU . . . . . 0.749 HD22 HD13 ' C' ' 79' ' ' LEU . 53.7 tp -59.78 -42.69 93.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.917 0.389 . . . . 10.0 110.393 179.149 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 90.8 t -70.24 -37.36 71.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.91 -0.586 . . . . 10.0 109.799 179.019 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 161' ' ' ARG . . . . . 0.461 ' NH1' ' HB3' ' B' ' 131' ' ' GLN . 6.4 ttp-105 -61.11 -37.67 83.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.517 -0.765 . . . . 10.0 110.599 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -63.3 -35.95 82.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.95 179.229 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 54.9 mt -68.01 -40.22 82.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 109.413 -0.588 . . . . 10.0 109.413 178.659 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 31.3 mtp180 -63.97 -39.77 94.89 Favored 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 108.906 -0.776 . . . . 10.0 108.906 178.474 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -61.99 -40.92 97.28 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.043 -0.98 . . . . 10.0 109.823 178.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 166' ' ' HIS . . . . . 0.407 ' HB2' ' HG3' ' C' ' 110' ' ' PRO . 44.5 t-80 -62.48 -45.79 91.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.296 -0.411 . . . . 10.0 110.467 179.468 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 68.1 mttm . . . . . 0 C--O 1.234 0.267 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.273 179.318 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 6.6 tmtm? . . . . . 0 N--CA 1.463 0.209 0 CA-C-O 120.977 0.418 . . . . 10.0 111.659 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 81.9 mt -71.25 -25.72 62.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.307 -0.406 . . . . 10.0 111.95 -179.156 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 72.5 mt -85.98 -40.13 16.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.908 0.385 . . . . 10.0 110.478 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -60.14 -46.72 88.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.749 -0.66 . . . . 10.0 110.327 178.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 206' ' ' ASN . . . . . 0.404 ' HA ' HD22 ' A' ' 206' ' ' ASN . 9.8 m120 -68.24 -30.88 70.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.552 -0.749 . . . . 10.0 111.127 179.631 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 9.6 t90 -65.68 -35.1 79.81 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 116.232 -0.44 . . . . 10.0 110.408 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -62.9 -40.56 97.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.382 -0.372 . . . . 10.0 110.685 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 1.4 m -64.0 -33.95 76.89 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.143 0.496 . . . . 10.0 109.809 178.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 59.3 t -72.93 -44.04 58.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 109.34 -0.615 . . . . 10.0 109.34 178.528 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 19.3 m -60.66 -44.53 96.32 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.606 -0.724 . . . . 10.0 111.176 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 2.2 p -63.54 -40.09 96.1 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.927 -0.397 . . . . 10.0 109.927 179.339 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 72.4 m -64.08 -42.0 97.1 Favored 'General case' 0 CA--C 1.529 0.156 0 N-CA-C 109.282 -0.636 . . . . 10.0 109.282 178.419 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -60.48 -45.71 92.74 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.394 178.592 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 16.7 m -60.05 -51.99 67.28 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.651 -0.704 . . . . 10.0 110.467 179.512 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -59.44 -41.73 90.26 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.274 -0.421 . . . . 10.0 111.131 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 217' ' ' LEU . . . . . 0.569 ' O ' ' HG ' ' A' ' 221' ' ' LEU . 18.2 mt -65.81 -44.51 85.43 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.598 179.651 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 218' ' ' ARG . . . . . 0.454 ' HA ' HD12 ' A' ' 221' ' ' LEU . 80.1 mtt180 -64.7 -41.84 95.72 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.534 -0.303 . . . . 10.0 111.299 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -65.24 -28.97 69.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.996 0.427 . . . . 10.0 110.771 179.244 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 220' ' ' GLN . . . . . 0.453 ' O ' HG23 ' A' ' 224' ' ' VAL . 8.1 tp-100 -85.28 -23.48 28.14 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.972 -0.558 . . . . 10.0 109.912 178.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 221' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' A' ' 217' ' ' LEU . 37.3 mt -61.42 -31.41 71.34 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.352 179.19 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -57.16 -65.37 3.62 Favored Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 110.932 -0.867 . . . . 10.0 110.932 178.172 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 223' ' ' PRO . . . . . 0.48 ' O ' ' HG3' ' A' ' 227' ' ' GLU . 62.9 Cg_exo -55.47 -38.75 93.71 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.518 2.145 . . . . 10.0 111.1 177.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 224' ' ' VAL . . . . . 0.458 HG22 ' HD3' ' D' ' 550' ' ' LYS . 44.8 t -57.99 -52.88 52.75 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.152 0 CA-C-N 116.63 -0.259 . . . . 10.0 110.917 179.539 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 8.5 p -65.9 -36.58 83.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.737 0.303 . . . . 10.0 110.85 -179.594 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -62.52 -52.54 63.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.7 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 227' ' ' GLU . . . . . 0.48 ' HG3' ' O ' ' A' ' 223' ' ' PRO . 24.9 mt-10 -66.17 -39.8 90.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.797 179.674 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -63.22 -43.33 98.41 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.968 -0.56 . . . . 10.0 109.912 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -66.97 -37.62 84.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.794 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -59.97 -45.79 91.54 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.598 0.713 . . . . 10.0 109.198 178.397 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -67.43 -39.93 85.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.043 -0.981 . . . . 10.0 109.528 178.632 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 24.1 mt -60.19 -41.09 92.19 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 116.101 -0.5 . . . . 10.0 110.02 179.197 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -64.08 -36.87 85.42 Favored 'General case' 0 C--O 1.221 -0.401 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.535 179.114 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 71.9 mttt -69.95 -38.76 76.22 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.969 -0.752 . . . . 10.0 108.969 178.559 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -63.73 -48.24 77.84 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.484 -0.78 . . . . 10.0 109.626 178.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 1.2 p -68.78 -31.73 70.96 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.22 179.32 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -59.81 -49.13 78.92 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 109.145 -0.687 . . . . 10.0 109.145 177.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -62.15 -42.28 99.72 Favored Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 110.53 -1.028 . . . . 10.0 110.53 178.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 239' ' ' LEU . . . . . 0.516 ' HA ' ' HB2' ' A' ' 242' ' ' GLU . 52.1 mt -66.55 -26.9 67.35 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.616 0.246 . . . . 10.0 111.576 179.56 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 46.2 mtt180 -69.85 -41.02 75.42 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.185 -0.672 . . . . 10.0 109.185 178.485 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -72.27 -37.14 69.11 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.529 -0.915 . . . . 10.0 108.529 178.343 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 242' ' ' GLU . . . . . 0.516 ' HB2' ' HA ' ' A' ' 239' ' ' LEU . 8.3 mm-40 -64.29 -33.2 75.28 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 115.02 -0.991 . . . . 10.0 109.81 178.48 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 243' ' ' MET . . . . . 0.497 ' HG3' HD12 ' A' ' 247' ' ' LEU . 38.4 ttm -58.96 -38.39 78.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.008 0.432 . . . . 10.0 110.014 179.323 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 4.7 m -77.14 9.19 3.21 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 115.792 -0.64 . . . . 10.0 111.331 179.37 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -129.87 -65.56 0.83 Allowed 'General case' 0 C--O 1.223 -0.29 0 N-CA-C 109.583 -0.525 . . . . 10.0 109.583 178.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 246' ' ' ASP . . . . . 0.554 ' HA ' ' CZ ' ' D' ' 528' ' ' ARG . 4.7 t70 -54.14 -39.12 66.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.584 -0.734 . . . . 10.0 111.763 -179.306 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 247' ' ' LEU . . . . . 0.497 HD12 ' HG3' ' A' ' 243' ' ' MET . 35.4 mt -96.82 -42.63 7.87 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.947 0.351 . . . . 10.0 111.947 -179.669 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -65.01 -45.85 83.79 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.918 0.71 . . . . 10.0 112.918 -179.232 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -66.49 -39.3 88.66 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-O 120.992 0.425 . . . . 10.0 110.119 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 250' ' ' VAL . . . . . 0.673 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 1.6 p -71.4 -28.97 33.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.384 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 251' ' ' LYS . . . . . 0.486 ' O ' HG12 ' A' ' 254' ' ' VAL . 71.0 tttt -80.05 -36.49 35.62 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.409 0.623 . . . . 10.0 109.773 179.55 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -69.55 -34.32 74.04 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.828 -0.624 . . . . 10.0 109.797 178.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -91.73 -15.37 28.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.691 -0.686 . . . . 10.0 112.024 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 254' ' ' VAL . . . . . 0.673 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.9 OUTLIER -63.8 -25.23 37.73 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 CA-C-O 120.717 0.294 . . . . 10.0 110.724 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 255' ' ' GLN . . . . . 0.504 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 36.0 mt-30 -66.21 -63.47 3.11 Favored Pre-proline 0 CA--C 1.534 0.356 0 CA-C-N 116.057 -0.519 . . . . 10.0 110.869 179.183 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 256' ' ' PRO . . . . . 0.504 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 20.6 Cg_endo -62.44 -32.06 80.76 Favored 'Trans proline' 0 C--N 1.358 1.038 0 C-N-CA 121.784 1.656 . . . . 10.0 112.228 179.18 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 9.5 m-30 -67.96 -51.1 51.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.542 -0.299 . . . . 10.0 110.343 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 258' ' ' LEU . . . . . 0.419 ' O ' ' HB2' ' A' ' 262' ' ' GLN . 22.2 mt -70.7 -34.18 71.68 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 116.64 -0.255 . . . . 10.0 110.715 179.246 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -63.63 -48.76 75.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.507 -0.315 . . . . 10.0 110.672 179.323 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 260' ' ' ASP . . . . . 0.753 ' HA ' ' HE2' ' A' ' 263' ' ' LYS . 25.4 t70 -63.05 -46.64 86.55 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.338 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 2.7 m-30 -64.4 -28.75 69.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 10.0 110.443 179.125 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 262' ' ' GLN . . . . . 0.419 ' HB2' ' O ' ' A' ' 258' ' ' LEU . 0.3 OUTLIER -70.42 -46.25 64.3 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 109.277 -0.638 . . . . 10.0 109.277 178.469 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 263' ' ' LYS . . . . . 0.753 ' HE2' ' HA ' ' A' ' 260' ' ' ASP . 27.2 mtmt -61.25 -41.25 96.59 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.209 -0.663 . . . . 10.0 109.209 178.54 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 264' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -64.41 -45.39 87.81 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.706 -0.679 . . . . 10.0 109.368 178.442 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 1.3 m95 -61.17 -41.51 96.9 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.273 -0.421 . . . . 10.0 110.314 179.004 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -57.36 -48.34 79.29 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.411 -0.589 . . . . 10.0 109.411 178.728 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 267' ' ' GLU . . . . . 0.417 ' O ' ' HG ' ' A' ' 271' ' ' LEU . 99.4 mt-10 -64.09 -45.07 90.31 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 115.709 -0.678 . . . . 10.0 110.251 178.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 268' ' ' GLU . . . . . 0.51 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 24.6 mt-10 -56.76 -46.2 81.59 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.865 179.629 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 73.5 mmm -69.45 -39.91 77.48 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.866 -0.606 . . . . 10.0 110.509 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -66.55 -43.9 83.82 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.669 -0.242 . . . . 10.0 110.879 179.556 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 271' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 267' ' ' GLU . 86.7 mt -59.83 -34.64 73.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.149 0.499 . . . . 10.0 109.912 179.05 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 272' ' ' TYR . . . . . 0.456 ' HD1' ' HA ' ' A' ' 272' ' ' TYR . 0.7 OUTLIER -80.65 -36.6 32.27 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.725 -0.67 . . . . 10.0 111.061 179.289 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 273' ' ' ARG . . . . . 0.409 ' O ' HG12 ' A' ' 276' ' ' VAL . 72.4 mtt180 -69.49 -40.43 77.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.488 -0.324 . . . . 10.0 111.097 179.603 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -68.02 -31.22 70.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.03 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 275' ' ' LYS . . . . . 0.577 ' HD2' HD21 ' D' ' 499' ' ' LEU . 57.2 mttp -92.08 -28.08 17.36 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.733 0.642 . . . . 10.0 112.733 -179.138 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 276' ' ' VAL . . . . . 0.409 HG12 ' O ' ' A' ' 273' ' ' ARG . 5.2 p -61.3 -32.57 53.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 112.227 0.455 . . . . 10.0 112.227 -178.821 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 277' ' ' GLU . . . . . 0.429 ' HB2' ' HD3' ' A' ' 278' ' ' PRO . 6.3 mt-10 -64.19 -60.71 8.09 Favored Pre-proline 0 C--N 1.327 -0.41 0 N-CA-C 112.097 0.406 . . . . 10.0 112.097 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 278' ' ' PRO . . . . . 0.429 ' HD3' ' HB2' ' A' ' 277' ' ' GLU . 19.8 Cg_endo -62.28 -35.28 74.69 Favored 'Trans proline' 0 C--N 1.354 0.851 0 C-N-CA 121.779 1.652 . . . . 10.0 111.524 178.613 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 279' ' ' LEU . . . . . 0.54 HD22 ' HE3' ' D' ' 495' ' ' LYS . 39.2 mt -66.3 -47.25 74.19 Favored 'General case' 0 C--O 1.226 -0.155 0 CA-C-N 116.483 -0.326 . . . . 10.0 110.781 179.134 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -61.84 -35.88 79.55 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.872 -0.418 . . . . 10.0 109.872 179.219 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -62.07 -50.08 73.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.74 179.216 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -68.38 -37.29 80.26 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.929 -0.308 . . . . 10.0 110.78 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 283' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' A' ' 279' ' ' LEU . 92.1 mt -63.6 -40.76 97.76 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 109.399 -0.593 . . . . 10.0 109.399 178.659 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -65.54 -43.15 90.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.78 -0.646 . . . . 10.0 109.44 178.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -59.85 -49.25 78.46 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.868 -0.605 . . . . 10.0 109.466 178.791 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -60.5 -42.11 98.95 Favored Glycine 0 N--CA 1.441 -1.024 0 N-CA-C 110.996 -0.842 . . . . 10.0 110.996 178.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -61.08 -44.98 96.55 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 110.218 -0.289 . . . . 10.0 110.218 179.048 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 288' ' ' ARG . . . . . 0.456 ' O ' ' HB2' ' A' ' 292' ' ' HIS . 16.9 mtt180 -58.65 -48.52 80.78 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.343 179.232 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 6.1 tm0? -63.62 -42.95 98.13 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.987 -0.551 . . . . 10.0 111.101 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 58.3 mttt -65.92 -42.75 89.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 10.0 110.543 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 71.5 mt -67.08 -35.55 80.06 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.288 -0.634 . . . . 10.0 109.288 178.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 292' ' ' HIS . . . . . 0.456 ' HB2' ' O ' ' A' ' 288' ' ' ARG . 0.2 OUTLIER -65.96 -47.5 74.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.56 -0.745 . . . . 10.0 109.485 178.858 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.17 -34.99 72.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.987 -0.552 . . . . 10.0 109.578 179.116 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 31.6 mt -68.95 -45.82 69.76 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 115.521 -0.763 . . . . 10.0 109.589 178.622 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 295' ' ' GLN . . . . . 0.412 ' HA ' ' HB2' ' A' ' 298' ' ' LEU . 47.5 mt-30 -63.04 -32.8 74.25 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.161 0.505 . . . . 10.0 110.664 179.235 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 296' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 292' ' ' HIS . 75.1 mm-40 -65.06 -14.93 61.69 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.692 -0.685 . . . . 10.0 110.487 179.203 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 297' ' ' LYS . . . . . 0.569 ' HB3' HD12 ' A' ' 301' ' ' LEU . 33.5 mmtp -114.08 -35.7 4.97 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.044 -0.526 . . . . 10.0 110.654 179.256 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 298' ' ' LEU . . . . . 0.412 ' HB2' ' HA ' ' A' ' 295' ' ' GLN . 21.7 mt -57.49 -34.8 69.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.251 -0.431 . . . . 10.0 111.587 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 299' ' ' SER . . . . . 0.469 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 3.4 m -74.14 -62.1 1.11 Allowed Pre-proline 0 C--N 1.324 -0.508 0 N-CA-C 112.313 0.486 . . . . 10.0 112.313 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 300' ' ' PRO . . . . . 0.469 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 29.1 Cg_endo -63.83 -50.71 2.88 Favored 'Trans proline' 0 C--N 1.358 1.05 0 C-N-CA 121.745 1.63 . . . . 10.0 112.816 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 301' ' ' LEU . . . . . 0.79 HD22 ' HG2' ' D' ' 473' ' ' LYS . 75.6 mt -68.32 -24.55 64.84 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 110.091 -0.337 . . . . 10.0 110.091 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -74.65 -49.76 10.43 Favored Glycine 0 N--CA 1.446 -0.699 0 N-CA-C 110.119 -1.192 . . . . 10.0 110.119 178.5 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -60.87 -40.78 94.26 Favored 'General case' 0 CA--C 1.519 -0.236 0 N-CA-C 108.873 -0.788 . . . . 10.0 108.873 178.147 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -63.34 -37.24 86.5 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.503 -0.771 . . . . 10.0 109.859 178.059 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 8.5 tpt -68.19 -39.34 82.49 Favored 'General case' 0 CA--C 1.516 -0.341 0 N-CA-C 109.933 -0.395 . . . . 10.0 109.933 179.133 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 306' ' ' ARG . . . . . 0.502 ' O ' ' HG3' ' A' ' 310' ' ' ARG . 3.8 mtt180 -67.71 -39.0 84.37 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.755 -0.657 . . . . 10.0 109.48 178.728 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 307' ' ' ASP . . . . . 0.638 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 34.6 t70 -69.15 -41.57 77.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.004 -0.544 . . . . 10.0 109.898 178.697 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 308' ' ' ARG . . . . . 0.435 ' HG3' HD11 ' D' ' 469' ' ' LEU . 9.3 mmt180 -66.51 -32.86 74.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.938 -0.573 . . . . 10.0 109.55 178.072 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 309' ' ' ALA . . . . . 0.441 ' HA ' ' HB2' ' A' ' 312' ' ' HIS . . . -66.16 -33.69 76.34 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 109.061 -0.718 . . . . 10.0 109.061 177.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 310' ' ' ARG . . . . . 0.638 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 91.8 mtt180 -59.2 -51.26 70.74 Favored 'General case' 0 C--O 1.221 -0.407 0 N-CA-C 108.612 -0.884 . . . . 10.0 108.612 178.199 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -65.76 -39.22 90.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.413 179.255 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 312' ' ' HIS . . . . . 0.441 ' HB2' ' HA ' ' A' ' 309' ' ' ALA . 0.5 OUTLIER -58.34 -51.75 68.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 10.0 110.49 179.713 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 76.3 t -73.59 -36.97 48.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.549 -0.751 . . . . 10.0 111.077 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 314' ' ' ASP . . . . . 0.438 ' HB2' ' O ' ' A' ' 310' ' ' ARG . 8.8 t70 -60.67 -49.75 76.26 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.865 -0.421 . . . . 10.0 109.865 179.484 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -62.39 -36.2 81.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.631 -0.713 . . . . 10.0 109.854 179.167 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 7.1 mt -65.9 -47.46 74.72 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-N 115.748 -0.66 . . . . 10.0 109.307 178.58 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 21.6 mtm105 -60.58 -46.67 89.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.339 -0.391 . . . . 10.0 110.952 179.37 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 48.7 m -59.79 -29.09 67.98 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.932 -0.576 . . . . 10.0 111.121 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -90.03 -37.13 14.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.429 -0.35 . . . . 10.0 110.966 179.455 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 60.0 mt -65.85 -31.87 73.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.569 -0.287 . . . . 10.0 111.606 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -55.29 -60.86 7.13 Favored Pre-proline 0 CA--C 1.535 0.372 0 O-C-N 123.085 0.241 . . . . 10.0 111.545 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -66.32 -37.18 24.84 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 121.423 1.415 . . . . 10.0 110.915 178.193 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 323' ' ' TYR . . . . . 0.474 ' O ' ' HG ' ' A' ' 327' ' ' LEU . 9.2 m-30 -58.72 -47.73 83.57 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.357 -0.383 . . . . 10.0 111.808 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 14.8 p -63.1 -40.23 97.03 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 123.134 0.271 . . . . 10.0 111.08 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 325' ' ' ASP . . . . . 0.693 ' HA ' ' HD2' ' A' ' 328' ' ' ARG . 1.3 m-20 -66.04 -40.02 90.66 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.448 -0.575 . . . . 10.0 109.448 178.821 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 326' ' ' GLU . . . . . 0.446 ' O ' ' HG3' ' A' ' 330' ' ' ARG . 26.6 mt-10 -65.11 -38.65 91.36 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 108.686 -0.857 . . . . 10.0 108.686 177.827 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 327' ' ' LEU . . . . . 0.533 HD23 ' HD2' ' A' ' 330' ' ' ARG . 32.7 mt -66.55 -36.31 82.35 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.962 -0.563 . . . . 10.0 109.882 178.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 328' ' ' ARG . . . . . 0.693 ' HD2' ' HA ' ' A' ' 325' ' ' ASP . 86.9 mtt180 -61.99 -43.83 98.01 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.003 -0.74 . . . . 10.0 109.003 178.466 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -66.42 -38.88 88.43 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.819 -0.628 . . . . 10.0 109.316 178.267 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 330' ' ' ARG . . . . . 0.734 HH21 ' HB3' ' D' ' 447' ' ' GLU . 32.2 mtt180 -60.86 -48.08 83.43 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 109.392 -0.596 . . . . 10.0 109.392 178.251 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 67.6 mt -62.35 -43.65 98.32 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.543 -0.753 . . . . 10.0 110.259 179.182 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -61.03 -51.9 67.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.286 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -60.02 -43.98 94.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.668 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 7.7 mmt180 -63.93 -47.41 80.64 Favored 'General case' 0 C--O 1.225 -0.209 0 CA-C-N 116.296 -0.411 . . . . 10.0 109.91 179.199 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 335' ' ' LEU . . . . . 0.416 ' O ' ' HG3' ' A' ' 339' ' ' LYS . 49.8 mt -61.78 -42.63 99.25 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 116.28 -0.418 . . . . 10.0 110.774 179.464 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -60.33 -47.38 86.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.644 -0.253 . . . . 10.0 110.563 179.579 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -65.2 -44.2 89.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.224 -0.443 . . . . 10.0 109.958 179.345 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 54.7 mt -65.53 -19.68 66.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.75 -0.659 . . . . 10.0 111.094 179.28 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 339' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' A' ' 335' ' ' LEU . 74.5 mttt -81.84 -40.98 21.69 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.653 -0.499 . . . . 10.0 109.653 178.196 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -67.49 -55.82 12.03 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 108.527 -0.916 . . . . 10.0 108.527 178.158 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -62.32 -43.87 97.82 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.15 -0.932 . . . . 10.0 110.098 179.233 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 342' ' ' GLY . . . . . 0.404 ' O ' ' HG ' ' A' ' 346' ' ' LEU . . . -60.25 -47.73 89.64 Favored Glycine 0 C--O 1.227 -0.318 0 CA-C-N 115.707 -0.678 . . . . 10.0 112.032 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -61.44 -42.42 99.76 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.752 -0.737 . . . . 10.0 111.399 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -64.62 -42.49 95.48 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 110.093 -0.336 . . . . 10.0 110.093 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 41.1 mtm180 -66.94 -41.16 87.43 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.381 179.4 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 346' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 342' ' ' GLY . 75.6 mt -57.76 -47.68 81.8 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 110.038 -0.356 . . . . 10.0 110.038 179.073 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -65.83 -41.26 92.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.06 178.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -61.85 -45.7 92.66 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.824 -0.625 . . . . 10.0 110.245 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -65.23 -30.03 70.88 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.417 179.093 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -67.58 -46.71 71.84 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 109.434 -0.58 . . . . 10.0 109.434 178.574 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 351' ' ' ALA . . . . . 0.53 ' O ' ' HG2' ' A' ' 355' ' ' GLU . . . -64.8 -41.21 95.99 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.755 -0.831 . . . . 10.0 108.755 178.041 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 352' ' ' LYS . . . . . 0.499 ' HG3' ' OE2' ' D' ' 425' ' ' GLU . 5.7 mtmm -59.4 -45.9 90.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.572 -0.74 . . . . 10.0 109.695 178.711 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 353' ' ' ALA . . . . . 0.426 ' O ' ' HG ' ' A' ' 357' ' ' LEU . . . -62.4 -40.18 95.65 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.841 -0.618 . . . . 10.0 109.781 178.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 25.7 m -60.99 -45.42 94.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.489 . . . . 10.0 110.136 178.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 355' ' ' GLU . . . . . 0.53 ' HG2' ' O ' ' A' ' 351' ' ' ALA . 49.3 mm-40 -66.52 -39.9 88.87 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.062 0.458 . . . . 10.0 110.04 179.55 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -65.76 -36.12 82.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.068 178.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 357' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 353' ' ' ALA . 46.1 mt -64.33 -42.05 96.48 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.14 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 358' ' ' SER . . . . . 0.405 ' O ' ' HG2' ' A' ' 362' ' ' GLU . 0.0 OUTLIER -61.45 -49.59 76.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.892 0.377 . . . . 10.0 110.468 179.376 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 359' ' ' THR . . . . . 0.408 ' CG2' ' HB3' ' D' ' 414' ' ' LYS . 1.5 m -66.19 -30.04 70.43 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.447 179.024 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 7.3 tt -70.38 -32.71 70.49 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.12 -0.696 . . . . 10.0 109.12 178.619 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 30.8 m -67.0 -31.03 71.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.961 -0.563 . . . . 10.0 109.801 179.268 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 362' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 358' ' ' SER . 4.2 mm-40 -68.98 -15.55 63.51 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.63 0.728 . . . . 10.0 109.329 178.724 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 363' ' ' LYS . . . . . 0.655 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 82.3 mttt -97.12 -43.03 7.57 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.545 -0.909 . . . . 10.0 108.545 178.122 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -64.16 -31.87 73.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.358 -0.837 . . . . 10.0 112.604 -179.594 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 365' ' ' LYS . . . . . 0.995 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 57.9 mttt -105.86 -75.0 0.02 OUTLIER Pre-proline 0 CA--C 1.538 0.489 0 N-CA-C 113.107 0.78 . . . . 10.0 113.107 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 366' ' ' PRO . . . . . 0.995 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 35.2 Cg_exo -58.28 -51.54 7.36 Favored 'Trans proline' 0 C--N 1.354 0.832 0 C-N-CA 122.269 1.979 . . . . 10.0 113.63 -178.63 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 367' ' ' ALA . . . . . 0.655 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -61.29 -53.39 57.44 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.586 0.217 . . . . 10.0 111.586 -179.355 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 368' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 368' ' ' LEU . 15.9 mt -58.64 -38.51 78.26 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.773 -0.194 . . . . 10.0 111.474 179.713 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -64.46 -49.95 69.42 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.835 -0.431 . . . . 10.0 109.835 179.075 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -60.58 -37.67 82.07 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.328 179.41 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 49.9 mt -66.68 -42.94 85.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.703 -0.681 . . . . 10.0 110.164 179.113 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 372' ' ' ARG . . . . . 0.423 ' O ' ' HG ' ' A' ' 376' ' ' LEU . 57.8 mtt85 -66.5 -40.24 89.14 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.738 -0.468 . . . . 10.0 109.738 178.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -63.66 -20.6 65.83 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.034 178.768 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -93.99 -35.11 6.19 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 110.824 -0.91 . . . . 10.0 110.824 178.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 375' ' ' LEU . . . . . 0.497 ' O ' ' HG ' ' A' ' 379' ' ' LEU . 41.4 mt -65.97 -39.61 90.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.825 -0.188 . . . . 10.0 111.112 179.269 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 376' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 372' ' ' ARG . 92.3 mt -50.57 -60.23 5.79 Favored Pre-proline 0 CA--C 1.537 0.473 0 N-CA-C 112.892 0.701 . . . . 10.0 112.892 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -64.27 -32.2 62.32 Favored 'Trans proline' 0 C--N 1.355 0.873 0 C-N-CA 122.109 1.873 . . . . 10.0 111.496 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 25.1 t -65.73 -39.99 86.48 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 N-CA-C 109.612 -0.514 . . . . 10.0 109.612 178.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 379' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 375' ' ' LEU . 88.8 mt -62.37 -35.43 79.15 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.097 -0.501 . . . . 10.0 110.098 178.847 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 380' ' ' GLU . . . . . 0.429 ' O ' HG23 ' A' ' 384' ' ' VAL . 31.3 mt-10 -60.89 -49.87 75.71 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.447 -0.575 . . . . 10.0 109.447 179.253 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.25 -42.03 90.15 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.989 -0.551 . . . . 10.0 110.218 179.21 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -64.45 -42.88 95.71 Favored 'General case' 0 C--O 1.221 -0.445 0 CA-C-N 115.724 -0.671 . . . . 10.0 110.835 179.769 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 383' ' ' LYS . . . . . 0.429 ' O ' ' HG ' ' A' ' 387' ' ' LEU . 93.9 mttt -62.28 -46.26 89.57 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.818 0.342 . . . . 10.0 110.589 179.558 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 384' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 380' ' ' GLU . 89.5 t -61.05 -49.78 83.29 Favored 'Isoleucine or valine' 0 C--O 1.236 0.395 0 CA-C-N 116.097 -0.502 . . . . 10.0 110.992 179.606 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 8.7 p -65.78 -35.43 80.69 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.389 -0.369 . . . . 10.0 111.275 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -61.54 -45.26 94.93 Favored 'General case' 0 CA--C 1.52 -0.202 0 N-CA-C 109.319 -0.623 . . . . 10.0 109.319 178.836 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 387' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 383' ' ' LYS . 79.0 mt -64.31 -40.52 96.09 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.146 179.045 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 388' ' ' SER . . . . . 0.521 ' HB3' ' HD3' ' D' ' 594' ' ' LYS . 38.3 m -63.24 -45.27 92.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.913 -0.585 . . . . 10.0 109.931 179.086 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -64.41 -41.85 96.41 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.921 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 26.7 mt -58.69 -48.86 79.67 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.158 -0.474 . . . . 10.0 109.946 179.141 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -60.99 -41.24 96.1 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.487 179.509 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -56.35 -55.71 30.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 10.0 111.467 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -61.93 -35.62 78.96 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.208 -0.451 . . . . 10.0 111.618 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 23.7 m -67.53 -44.84 77.37 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.369 -0.378 . . . . 10.0 111.293 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -68.99 -40.91 78.46 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.41 0.522 . . . . 10.0 112.41 -179.421 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 396' ' ' LYS . . . . . 0.639 ' HE2' ' HA ' ' D' ' 587' ' ' ALA . 13.5 mptt -75.36 -36.06 61.03 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 113.512 0.93 . . . . 10.0 113.512 -177.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 64.8 mt -92.59 14.5 16.74 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.45 0.537 . . . . 10.0 112.45 -179.383 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 64.1 t30 . . . . . 0 C--N 1.323 -0.55 0 CA-C-N 116.662 -0.245 . . . . 10.0 110.885 179.558 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 2.9 mm? . . . . . 0 C--O 1.235 0.299 0 CA-C-O 121.499 0.666 . . . . 10.0 109.839 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -87.74 7.69 29.11 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.443 -0.799 . . . . 10.0 110.471 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 75.7 mt -61.72 -39.44 91.52 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.725 -0.671 . . . . 10.0 109.677 179.294 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 36.7 mt -63.85 -38.13 89.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.652 -0.703 . . . . 10.0 110.633 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -62.22 -53.27 57.62 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 115.897 -0.592 . . . . 10.0 109.719 179.506 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 404' ' ' ASN . . . . . 0.558 ' O ' HG23 ' D' ' 408' ' ' VAL . 59.1 t30 -60.05 -40.6 89.99 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.656 -0.702 . . . . 10.0 110.696 -179.622 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 4.7 m95 -56.39 -43.64 79.48 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.376 -0.375 . . . . 10.0 111.06 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -64.87 -43.59 92.46 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.935 0.398 . . . . 10.0 110.194 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 1.8 m -61.0 -42.18 97.95 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.678 -0.692 . . . . 10.0 110.733 178.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 408' ' ' VAL . . . . . 0.558 HG23 ' O ' ' D' ' 404' ' ' ASN . 61.7 t -65.86 -41.79 90.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 121.012 0.434 . . . . 10.0 109.866 178.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 19.8 m -63.7 -31.67 72.91 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.311 178.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 27.2 m -64.3 -45.63 87.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.348 179.395 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 411' ' ' THR . . . . . 0.434 HG22 ' HE2' ' A' ' 363' ' ' LYS . 0.0 OUTLIER -67.01 -33.05 74.72 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 120.708 0.29 . . . . 10.0 110.701 179.74 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 11.7 m-30 -65.86 -45.52 81.83 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.426 -0.583 . . . . 10.0 109.426 178.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 13.3 m -62.97 -38.22 90.24 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 109.35 -0.611 . . . . 10.0 109.35 178.476 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 414' ' ' LYS . . . . . 0.408 ' HB3' ' CG2' ' A' ' 359' ' ' THR . 29.3 mmtt -65.6 -35.14 79.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.686 -0.688 . . . . 10.0 110.505 178.496 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.38 -40.8 85.73 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.422 -0.584 . . . . 10.0 109.422 179.006 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -66.01 -34.94 79.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.39 -0.823 . . . . 10.0 109.829 178.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -66.07 -34.78 78.85 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.784 -0.643 . . . . 10.0 109.854 178.693 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -72.65 -48.69 37.25 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 108.866 -0.79 . . . . 10.0 108.866 178.368 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 14.0 mt -45.52 -46.51 13.96 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-N 115.05 -0.977 . . . . 10.0 112.901 -179.437 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -48.97 -77.81 0.11 Allowed Glycine 0 C--N 1.334 0.426 0 O-C-N 123.677 0.611 . . . . 10.0 113.276 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 421' ' ' PRO . . . . . 0.551 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 52.7 Cg_exo -57.38 -36.4 98.85 Favored 'Trans proline' 0 C--O 1.233 0.275 0 C-N-CA 122.571 2.181 . . . . 10.0 112.717 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 25.7 t -62.25 -48.31 89.02 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.343 0 N-CA-C 112.079 0.4 . . . . 10.0 112.079 -179.393 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 25.5 p -68.67 -35.74 77.61 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 121.058 -0.257 . . . . 10.0 110.768 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -57.05 -51.33 69.68 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.172 -0.467 . . . . 10.0 109.767 178.768 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 425' ' ' GLU . . . . . 0.551 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 10.4 pt-20 -76.92 -27.73 55.02 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-N 116.272 -0.422 . . . . 10.0 111.195 179.4 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 426' ' ' PHE . . . . . 0.513 ' O ' ' HG ' ' D' ' 430' ' ' LEU . 40.7 t80 -64.5 -42.0 96.1 Favored 'General case' 0 CA--C 1.52 -0.191 0 N-CA-C 109.602 -0.518 . . . . 10.0 109.602 178.769 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 427' ' ' TRP . . . . . 0.445 ' O ' ' HG3' ' D' ' 431' ' ' GLU . 38.8 m0 -67.62 -40.03 84.7 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.977 -0.749 . . . . 10.0 108.977 178.568 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -63.56 -39.45 94.42 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 108.511 -0.922 . . . . 10.0 108.511 178.211 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 429' ' ' ASN . . . . . 0.413 ' HA ' ' HD2' ' D' ' 432' ' ' LYS . 2.8 t30 -65.22 -42.61 93.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.171 -0.922 . . . . 10.0 109.459 178.373 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 430' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' D' ' 426' ' ' PHE . 57.1 mt -60.46 -35.36 75.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.005 -0.543 . . . . 10.0 109.572 178.844 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 431' ' ' GLU . . . . . 0.445 ' HG3' ' O ' ' D' ' 427' ' ' TRP . 94.2 mt-10 -69.19 -35.95 76.81 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.71 -0.677 . . . . 10.0 109.61 177.723 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 432' ' ' LYS . . . . . 0.413 ' HD2' ' HA ' ' D' ' 429' ' ' ASN . 31.5 mttp -64.44 -46.66 82.19 Favored 'General case' 0 CA--C 1.519 -0.243 0 N-CA-C 107.921 -1.14 . . . . 10.0 107.921 177.567 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -62.49 -49.86 73.7 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 114.961 -1.018 . . . . 10.0 110.857 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 1.5 p -59.61 -50.87 72.21 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 121.302 -0.159 . . . . 10.0 111.226 179.588 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 435' ' ' GLU . . . . . 0.468 ' O ' ' HG3' ' D' ' 439' ' ' GLN . 25.6 mm-40 -60.8 -49.37 77.77 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.61 0.243 . . . . 10.0 110.678 179.415 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -58.74 -47.07 92.26 Favored Glycine 0 N--CA 1.453 -0.218 0 N-CA-C 111.518 -0.633 . . . . 10.0 111.518 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 61.9 mt -64.86 -33.94 77.19 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 110.275 -0.269 . . . . 10.0 110.275 179.088 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 438' ' ' ARG . . . . . 0.603 ' HA ' ' HB2' ' D' ' 441' ' ' MET . 69.2 mtt180 -62.08 -37.67 85.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.521 -0.308 . . . . 10.0 111.409 179.671 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 439' ' ' GLN . . . . . 0.468 ' HG3' ' O ' ' D' ' 435' ' ' GLU . 69.6 mt-30 -56.37 -51.34 68.68 Favored 'General case' 0 C--O 1.235 0.299 0 O-C-N 123.653 0.596 . . . . 10.0 110.22 179.599 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.28 -23.81 47.06 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.221 -0.9 . . . . 10.0 110.762 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 441' ' ' MET . . . . . 0.603 ' HB2' ' HA ' ' D' ' 438' ' ' ARG . 2.3 mmm -62.9 -49.82 73.3 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.885 179.7 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.28 -41.21 98.97 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 109.427 -0.582 . . . . 10.0 109.427 179.177 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -63.02 -39.77 95.76 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.004 179.163 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 444' ' ' ASP . . . . . 0.721 ' O ' ' HB ' ' D' ' 448' ' ' VAL . 3.6 t0 -69.99 -50.19 44.1 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.389 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 83.4 mt -63.94 -55.47 22.29 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.835 0.68 . . . . 10.0 112.835 -179.147 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 446' ' ' GLU . . . . . 0.402 ' HA ' ' HD2' ' D' ' 449' ' ' LYS . 26.8 mm-40 -58.7 -50.22 74.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.727 0.298 . . . . 10.0 111.675 -178.766 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 447' ' ' GLU . . . . . 0.734 ' HB3' HH21 ' A' ' 330' ' ' ARG . 29.6 tt0 -67.36 -29.46 69.0 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.771 -0.372 . . . . 10.0 111.113 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 448' ' ' VAL . . . . . 0.721 ' HB ' ' O ' ' D' ' 444' ' ' ASP . 0.5 OUTLIER -63.7 -32.4 56.76 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.343 0 N-CA-C 109.837 -0.431 . . . . 10.0 109.837 179.102 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 449' ' ' LYS . . . . . 0.402 ' HD2' ' HA ' ' D' ' 446' ' ' GLU . 77.6 mttt -67.9 -43.51 79.1 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.722 -0.844 . . . . 10.0 108.722 178.527 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -78.88 6.65 8.66 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.214 -0.903 . . . . 10.0 110.472 179.048 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 451' ' ' LYS . . . . . 0.648 ' O ' ' HB2' ' D' ' 455' ' ' TYR . 43.5 mttm -115.76 -47.73 2.79 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.184 179.028 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 80.1 t -67.6 -42.22 86.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 10.0 111.516 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -55.32 -58.78 13.4 Favored Pre-proline 0 CA--C 1.536 0.412 0 C-N-CA 121.175 -0.21 . . . . 10.0 111.2 179.27 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -67.54 -24.08 42.56 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 121.762 1.641 . . . . 10.0 111.774 178.483 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 455' ' ' TYR . . . . . 0.648 ' HB2' ' O ' ' D' ' 451' ' ' LYS . 1.3 t80 -70.32 -40.69 74.03 Favored 'General case' 0 CA--C 1.52 -0.186 0 N-CA-C 109.051 -0.722 . . . . 10.0 109.051 178.788 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 17.5 mt -65.76 -39.72 91.34 Favored 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 108.653 -0.869 . . . . 10.0 108.653 177.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -63.08 -45.88 90.02 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 115.535 -0.757 . . . . 10.0 109.372 178.364 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -61.96 -43.54 98.63 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.251 -0.886 . . . . 10.0 110.338 179.297 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -67.11 -46.49 74.04 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.503 179.208 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -55.77 -38.99 70.62 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.447 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 461' ' ' LYS . . . . . 0.42 ' O ' ' HG3' ' D' ' 465' ' ' GLU . 56.0 mttt -59.76 -48.56 81.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 10.0 110.193 179.154 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 26.6 mtmm -70.14 -35.28 73.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.703 179.361 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 31.3 m0 -63.75 -43.52 96.21 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.374 -0.602 . . . . 10.0 109.374 178.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -66.59 -37.38 84.8 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.331 178.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 465' ' ' GLU . . . . . 0.461 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 38.4 mt-10 -61.75 -50.7 71.33 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 108.437 -0.949 . . . . 10.0 108.437 177.824 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.32 -43.94 95.91 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.685 -0.688 . . . . 10.0 110.086 179.027 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 34.6 ttm -57.15 -51.29 69.89 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.132 -0.486 . . . . 10.0 110.498 179.282 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -65.34 -34.12 77.57 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.638 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 469' ' ' LEU . . . . . 0.665 HD22 ' HE3' ' D' ' 473' ' ' LYS . 60.7 mt -67.59 -37.93 83.3 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-N 116.28 -0.418 . . . . 10.0 109.883 178.359 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -65.67 -30.19 70.85 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.896 0.379 . . . . 10.0 110.42 179.341 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 471' ' ' ARG . . . . . 0.802 ' HA ' ' HG3' ' D' ' 475' ' ' GLU . 66.7 mtt180 -79.32 -23.72 43.28 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.075 0.464 . . . . 10.0 111.013 179.104 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -99.51 -8.03 25.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.214 -0.448 . . . . 10.0 111.572 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 473' ' ' LYS . . . . . 0.79 ' HG2' HD22 ' A' ' 301' ' ' LEU . 92.3 mttt -123.0 -66.92 0.98 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.577 -0.283 . . . . 10.0 111.518 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 474' ' ' VAL . . . . . 0.431 ' O ' ' HB2' ' D' ' 478' ' ' ARG . 52.9 t -54.81 -48.2 73.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 10.0 112.15 -179.055 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 475' ' ' GLU . . . . . 0.802 ' HG3' ' HA ' ' D' ' 471' ' ' ARG . 14.8 mt-10 -58.24 -59.49 13.19 Favored Pre-proline 0 CA--C 1.533 0.299 0 N-CA-C 112.213 0.449 . . . . 10.0 112.213 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 476' ' ' PRO . . . . . 0.732 ' HD3' ' HB2' ' D' ' 475' ' ' GLU . 38.2 Cg_exo -60.04 -41.82 49.3 Favored 'Trans proline' 0 C--N 1.353 0.813 0 C-N-CA 121.811 1.674 . . . . 10.0 111.83 178.629 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 29.3 mt -62.39 -32.87 73.75 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-O 120.769 0.319 . . . . 10.0 110.237 178.738 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 478' ' ' ARG . . . . . 0.431 ' HB2' ' O ' ' D' ' 474' ' ' VAL . 68.8 ttt180 -63.6 -39.6 94.8 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.604 -0.725 . . . . 10.0 109.335 179.087 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -68.15 -44.33 76.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.79 -0.641 . . . . 10.0 109.533 178.616 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -63.52 -42.19 98.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.947 -0.57 . . . . 10.0 110.096 178.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 19.8 mt -67.0 -29.76 69.67 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.416 -0.586 . . . . 10.0 109.416 178.4 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -70.82 -40.64 72.33 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 108.65 -0.87 . . . . 10.0 108.65 178.387 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 483' ' ' GLU . . . . . 0.402 ' OE2' ' HD2' ' D' ' 486' ' ' ARG . 0.8 OUTLIER -65.51 -43.19 90.86 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.079 -0.712 . . . . 10.0 109.079 178.388 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -65.16 -35.69 92.0 Favored Glycine 0 N--CA 1.446 -0.689 0 N-CA-C 110.381 -1.087 . . . . 10.0 110.381 178.444 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 485' ' ' ALA . . . . . 0.412 ' O ' ' HG ' ' D' ' 489' ' ' LEU . . . -67.75 -42.95 80.99 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 109.532 -0.544 . . . . 10.0 109.532 178.775 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 486' ' ' ARG . . . . . 0.402 ' HD2' ' OE2' ' D' ' 483' ' ' GLU . 70.5 mtt180 -62.13 -42.14 98.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.466 . . . . 10.0 109.892 178.824 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 487' ' ' GLN . . . . . 0.429 ' O ' ' HG3' ' D' ' 491' ' ' GLU . 1.9 mm100 -66.1 -43.01 88.49 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.631 -0.713 . . . . 10.0 109.373 178.348 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 62.8 tttt -64.6 -36.89 85.71 Favored 'General case' 0 C--O 1.225 -0.185 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.055 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 489' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' D' ' 485' ' ' ALA . 66.9 mt -64.54 -39.84 94.5 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 109.059 -0.719 . . . . 10.0 109.059 178.109 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 37.5 t-80 -64.67 -46.96 80.22 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.068 -1.086 . . . . 10.0 108.068 177.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 491' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' D' ' 487' ' ' GLN . 80.4 mt-10 -55.51 -44.98 77.11 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.521 -0.763 . . . . 10.0 109.055 178.259 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 55.8 mt -64.11 -49.44 72.2 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.643 -0.708 . . . . 10.0 110.919 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -60.39 -36.5 78.25 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.491 -0.322 . . . . 10.0 111.333 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -69.03 -4.8 18.36 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 116.019 -0.537 . . . . 10.0 111.22 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 495' ' ' LYS . . . . . 0.575 ' O ' ' HB2' ' D' ' 499' ' ' LEU . 29.1 mttp -120.92 -46.04 2.35 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.447 179.47 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 496' ' ' LEU . . . . . 0.483 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 99.2 mt -60.69 -24.96 66.04 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.248 -0.433 . . . . 10.0 112.035 -179.72 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 497' ' ' SER . . . . . 0.519 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 4.0 m -82.82 -65.46 0.23 Allowed Pre-proline 0 CA--C 1.538 0.517 0 C-N-CA 120.804 -0.359 . . . . 10.0 111.642 179.298 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 498' ' ' PRO . . . . . 0.519 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 32.1 Cg_endo -64.66 -50.39 2.48 Favored 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 121.721 1.614 . . . . 10.0 112.075 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 499' ' ' LEU . . . . . 0.577 HD21 ' HD2' ' A' ' 275' ' ' LYS . 56.4 mt -69.49 -29.72 67.44 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.906 -0.405 . . . . 10.0 109.906 179.247 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 500' ' ' GLY . . . . . 0.483 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -64.77 -47.26 85.14 Favored Glycine 0 N--CA 1.451 -0.345 0 N-CA-C 110.852 -0.899 . . . . 10.0 110.852 179.048 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -67.16 -36.22 81.36 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.164 -0.68 . . . . 10.0 109.164 178.209 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 502' ' ' GLU . . . . . 0.495 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 21.8 tt0 -63.87 -43.3 96.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.628 -0.715 . . . . 10.0 110.273 178.693 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 503' ' ' MET . . . . . 0.57 ' HA ' ' HD2' ' D' ' 506' ' ' ARG . 33.5 mmm -61.93 -42.48 99.15 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 109.558 -0.534 . . . . 10.0 109.558 179.06 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 504' ' ' ARG . . . . . 0.468 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 67.6 mtt85 -63.83 -37.19 86.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.899 -0.592 . . . . 10.0 109.628 178.374 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 505' ' ' ASP . . . . . 0.475 ' HA ' ' HD2' ' D' ' 508' ' ' ARG . 9.1 t0 -68.26 -37.47 80.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.633 -0.712 . . . . 10.0 109.874 179.417 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 506' ' ' ARG . . . . . 0.57 ' HD2' ' HA ' ' D' ' 503' ' ' MET . 47.1 mtt180 -62.57 -42.42 99.54 Favored 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 108.064 -1.087 . . . . 10.0 108.064 177.673 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -60.74 -43.35 98.02 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 114.905 -1.043 . . . . 10.0 109.48 178.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 508' ' ' ARG . . . . . 0.475 ' HD2' ' HA ' ' D' ' 505' ' ' ASP . 70.5 mtt180 -58.21 -45.25 87.99 Favored 'General case' 0 C--O 1.223 -0.335 0 O-C-N 123.507 0.504 . . . . 10.0 109.673 178.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -62.14 -48.7 78.96 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.659 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 510' ' ' HIS . . . . . 0.408 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 15.8 m-70 -64.05 -47.31 80.67 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.206 -0.452 . . . . 10.0 111.213 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 511' ' ' VAL . . . . . 0.498 ' O ' ' HG3' ' D' ' 515' ' ' ARG . 55.8 t -63.24 -43.06 98.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.451 -0.34 . . . . 10.0 110.445 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 512' ' ' ASP . . . . . 0.877 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 9.5 t70 -61.9 -39.33 91.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.048 0.452 . . . . 10.0 109.806 179.231 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -66.21 -45.54 80.4 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 108.513 -0.921 . . . . 10.0 108.513 178.218 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 514' ' ' LEU . . . . . 0.563 ' HA ' ' HB2' ' D' ' 517' ' ' HIS . 89.7 mt -60.88 -27.34 68.06 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 115.644 -0.707 . . . . 10.0 110.743 179.305 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 515' ' ' ARG . . . . . 0.877 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 89.7 mtt180 -65.43 -35.14 80.04 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.294 -0.632 . . . . 10.0 109.294 178.254 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.37 7.32 45.64 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.849 179.507 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 517' ' ' HIS . . . . . 0.563 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 34.8 m170 -113.37 -65.54 1.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.502 179.368 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 90.9 mt -66.95 -43.5 82.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.708 -0.678 . . . . 10.0 112.697 -178.639 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 519' ' ' ALA . . . . . 0.643 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -58.6 -57.56 25.66 Favored Pre-proline 0 N--CA 1.466 0.353 0 N-CA-C 112.356 0.502 . . . . 10.0 112.356 -179.568 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 520' ' ' PRO . . . . . 0.643 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 36.4 Cg_exo -62.1 -32.64 83.45 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 121.79 1.66 . . . . 10.0 110.763 178.199 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 521' ' ' TYR . . . . . 0.4 ' HB2' ' O ' ' D' ' 517' ' ' HIS . 24.2 t80 -65.98 -43.53 87.56 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.244 -0.435 . . . . 10.0 110.745 179.461 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 1.7 p -67.21 -32.61 73.78 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 109.516 -0.55 . . . . 10.0 109.516 178.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 523' ' ' ASP . . . . . 0.539 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 0.6 OUTLIER -65.87 -41.41 91.63 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 108.7 -0.852 . . . . 10.0 108.7 177.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -68.43 -37.98 80.76 Favored 'General case' 0 CA--C 1.519 -0.218 0 N-CA-C 108.603 -0.888 . . . . 10.0 108.603 177.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 40.8 mt -62.31 -36.74 83.1 Favored 'General case' 0 C--O 1.219 -0.548 0 CA-C-N 115.352 -0.84 . . . . 10.0 109.349 178.447 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 526' ' ' ARG . . . . . 0.539 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 77.6 mtt180 -64.02 -39.54 94.33 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.546 -0.538 . . . . 10.0 109.546 178.175 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -66.48 -42.05 88.06 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.316 -0.624 . . . . 10.0 109.316 178.768 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 528' ' ' ARG . . . . . 0.554 ' CZ ' ' HA ' ' A' ' 246' ' ' ASP . 58.9 mtt180 -68.58 -48.69 63.56 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.5 -0.773 . . . . 10.0 110.589 179.36 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 40.6 mt -62.67 -30.76 71.63 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-N 115.978 -0.556 . . . . 10.0 110.796 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -61.21 -41.27 96.54 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.279 -0.637 . . . . 10.0 109.279 178.417 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -77.46 -42.58 35.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.63 -0.713 . . . . 10.0 109.462 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 532' ' ' ARG . . . . . 0.478 ' O ' ' HG ' ' D' ' 536' ' ' LEU . 17.5 ttm180 -58.74 -46.9 86.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.664 -0.698 . . . . 10.0 110.053 179.21 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 81.9 mt -69.33 -34.38 74.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.177 178.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 534' ' ' GLU . . . . . 0.431 ' HA ' ' HE3' ' D' ' 537' ' ' LYS . 38.4 tt0 -62.04 -44.21 97.19 Favored 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 109.112 -0.699 . . . . 10.0 109.112 178.574 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -64.59 -39.97 94.69 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.535 -0.757 . . . . 10.0 109.549 178.577 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 536' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' D' ' 532' ' ' ARG . 74.4 mt -67.85 -32.63 73.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.666 179.086 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 537' ' ' LYS . . . . . 0.431 ' HE3' ' HA ' ' D' ' 534' ' ' GLU . 43.5 mtmt -74.45 -41.4 60.87 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.359 -0.608 . . . . 10.0 109.359 178.353 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -65.16 -47.63 76.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.813 -0.63 . . . . 10.0 109.769 178.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -65.97 -42.21 90.19 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-N 115.466 -0.788 . . . . 10.0 109.239 178.638 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -63.14 -40.09 98.74 Favored Glycine 0 N--CA 1.446 -0.697 0 CA-C-N 115.799 -0.637 . . . . 10.0 112.182 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -66.73 -45.96 79.58 Favored Glycine 0 N--CA 1.449 -0.5 0 N-CA-C 111.127 -0.789 . . . . 10.0 111.127 179.261 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -64.78 -46.05 83.76 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.9 -0.407 . . . . 10.0 109.9 179.014 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 48.6 mtt180 -63.42 -30.76 71.83 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 115.774 -0.648 . . . . 10.0 111.135 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 544' ' ' LEU . . . . . 0.562 ' O ' ' HB2' ' D' ' 548' ' ' HIS . 6.2 mt -65.81 -42.09 91.08 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 109.297 -0.631 . . . . 10.0 109.297 178.676 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -68.03 -40.84 82.83 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.443 -0.577 . . . . 10.0 109.443 178.472 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -64.75 -47.78 76.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.585 -0.734 . . . . 10.0 110.475 179.161 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -67.83 -34.44 76.73 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.142 -0.481 . . . . 10.0 111.0 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 548' ' ' HIS . . . . . 0.562 ' HB2' ' O ' ' D' ' 544' ' ' LEU . 3.4 t-80 -66.46 -44.18 83.47 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.443 -0.947 . . . . 10.0 108.443 178.229 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -63.78 -49.68 71.97 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 115.437 -0.801 . . . . 10.0 109.291 178.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 550' ' ' LYS . . . . . 0.458 ' HD3' HG22 ' A' ' 224' ' ' VAL . 0.0 OUTLIER -59.38 -36.87 76.58 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.95 179.412 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -66.89 -39.7 87.54 Favored 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 109.007 -0.738 . . . . 10.0 109.007 178.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 26.6 m -65.09 -48.64 72.98 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.494 -0.776 . . . . 10.0 109.419 178.465 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -59.17 -45.63 90.52 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-N 115.802 -0.636 . . . . 10.0 110.46 179.018 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 25.5 t60 -63.98 -37.38 87.22 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 115.976 -0.556 . . . . 10.0 110.229 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 555' ' ' LEU . . . . . 0.456 ' HA ' HD12 ' D' ' 558' ' ' LEU . 36.7 tp -60.58 -43.47 97.31 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.171 -0.468 . . . . 10.0 110.249 179.453 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.63 -39.92 95.37 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.879 179.175 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -71.2 -32.26 68.62 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 116.478 -0.328 . . . . 10.0 110.278 178.667 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 558' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' D' ' 555' ' ' LEU . 29.8 mt -63.91 -48.62 75.88 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-N 115.865 -0.607 . . . . 10.0 109.594 178.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 3.2 p -70.38 -34.26 72.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.211 -0.45 . . . . 10.0 110.29 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -60.83 -37.47 82.12 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.405 179.195 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.76 -19.18 22.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.945 -0.571 . . . . 10.0 111.241 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -64.79 -48.92 72.7 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.408 -0.36 . . . . 10.0 111.315 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 563' ' ' LYS . . . . . 0.452 ' HB2' ' CD ' ' D' ' 564' ' ' PRO . 61.5 mttt -55.29 -61.03 6.69 Favored Pre-proline 0 C--N 1.328 -0.339 0 N-CA-C 112.491 0.552 . . . . 10.0 112.491 -179.423 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 564' ' ' PRO . . . . . 0.452 ' CD ' ' HB2' ' D' ' 563' ' ' LYS . 20.4 Cg_endo -59.94 -40.45 62.14 Favored 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 122.103 1.868 . . . . 10.0 112.116 -179.517 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -61.39 -50.7 71.83 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-O 120.779 0.323 . . . . 10.0 110.223 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 67.3 mt -63.0 -45.8 90.67 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.916 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -59.4 -52.45 65.56 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.576 0.213 . . . . 10.0 111.576 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.86 -37.33 84.25 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.601 -0.272 . . . . 10.0 111.481 -178.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 34.8 mt -67.16 -45.24 77.61 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 110.209 -0.293 . . . . 10.0 110.209 178.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -64.29 -51.7 62.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.762 0.315 . . . . 10.0 110.269 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -69.33 -6.72 31.54 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.971 -0.559 . . . . 10.0 111.87 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -100.53 -44.24 2.18 Favored Glycine 0 N--CA 1.442 -0.95 0 N-CA-C 110.317 -1.113 . . . . 10.0 110.317 178.276 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 573' ' ' LEU . . . . . 0.467 ' O ' ' HG ' ' D' ' 577' ' ' LEU . 75.0 mt -64.7 -39.87 94.39 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 122.187 0.195 . . . . 10.0 111.374 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 74.4 mt -52.42 -61.21 4.86 Favored Pre-proline 0 CA--C 1.539 0.551 0 N-CA-C 112.655 0.613 . . . . 10.0 112.655 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -65.88 -33.39 43.02 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 121.864 1.709 . . . . 10.0 111.167 178.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 8.9 t -64.57 -39.5 85.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.485 -0.325 . . . . 10.0 110.273 178.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 577' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' D' ' 573' ' ' LEU . 78.9 mt -65.06 -42.62 94.05 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 109.782 -0.451 . . . . 10.0 109.782 178.371 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -64.03 -35.99 82.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.362 179.032 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 17.0 m -73.75 -35.73 65.05 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.799 -0.637 . . . . 10.0 109.475 178.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -68.01 -34.02 75.71 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 116.173 -0.467 . . . . 10.0 109.761 178.62 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -59.97 -36.79 77.89 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 115.889 -0.596 . . . . 10.0 109.7 178.423 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 60.9 t -62.17 -49.82 82.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 109.567 -0.531 . . . . 10.0 109.567 178.777 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.29 -27.27 67.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.709 -0.678 . . . . 10.0 111.261 179.549 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -76.28 -53.16 8.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.749 179.337 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 86.9 mt -56.06 -47.24 78.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.626 -0.716 . . . . 10.0 111.699 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 11.8 p -64.74 -45.97 84.2 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.769 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 587' ' ' ALA . . . . . 0.639 ' HA ' ' HE2' ' A' ' 396' ' ' LYS . . . -59.81 -52.84 63.74 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 116.244 -0.435 . . . . 10.0 111.093 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 81.2 mt -56.98 -44.26 82.5 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.976 -0.556 . . . . 10.0 111.366 -179.504 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -64.11 -53.85 43.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.325 -0.398 . . . . 10.0 111.193 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -62.26 -36.37 81.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.236 -0.438 . . . . 10.0 111.493 -179.477 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -65.28 -47.15 77.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.62 -0.264 . . . . 10.0 110.486 179.115 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 11.5 m -61.11 -33.04 72.75 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.055 0.455 . . . . 10.0 110.974 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -74.84 -41.3 60.13 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.062 0.458 . . . . 10.0 111.469 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 594' ' ' LYS . . . . . 0.521 ' HD3' ' HB3' ' A' ' 388' ' ' SER . 0.2 OUTLIER -79.78 -16.77 54.89 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.975 0.417 . . . . 10.0 111.632 -179.81 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 77.3 mt -112.67 30.62 6.98 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.149 0.499 . . . . 10.0 109.696 178.545 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.033 -0.53 . . . . 10.0 111.438 -179.667 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.235 0.313 0 CA-C-O 120.958 0.409 . . . . 10.0 110.817 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -73.31 135.87 44.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.76 -0.655 . . . . 10.0 109.852 179.717 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -104.92 139.86 39.02 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.526 -0.306 . . . . 10.0 110.81 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -133.92 123.29 24.44 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.52 -0.309 . . . . 10.0 110.317 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 39.1 mttm -92.59 112.15 24.0 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.4 -0.364 . . . . 10.0 110.428 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.421 HD22 ' HG ' ' B' ' 159' ' ' LEU . 15.4 mt -114.01 124.68 52.73 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.997 -178.704 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 7' ' ' VAL . . . . . 0.518 HG11 ' CD2' ' B' ' 71' ' ' TYR . 97.2 t -114.11 128.6 71.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.332 179.499 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.74 HG12 ' HD2' ' B' ' 16' ' ' LYS . 2.6 t -87.35 118.5 33.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.075 0.464 . . . . 10.0 109.999 179.778 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.407 HG23 ' HA ' ' B' ' 80' ' ' CYS . 9.9 m -115.46 151.31 17.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 120.904 0.383 . . . . 10.0 111.164 -179.203 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 148.36 -179.6 25.08 Favored Glycine 0 N--CA 1.442 -0.93 0 N-CA-C 110.601 -0.999 . . . . 10.0 110.601 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.31 -173.74 1.16 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.414 0.626 . . . . 10.0 111.485 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -102.41 139.9 37.41 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.624 -0.716 . . . . 10.0 109.871 179.034 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 13' ' ' GLY . . . . . 0.736 ' HA2' ' HE1' ' B' ' 32' ' ' TYR . . . 91.6 1.06 71.71 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.792 -0.718 . . . . 10.0 112.151 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 27.7 m -79.91 -23.85 11.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 111.545 0.202 . . . . 10.0 111.545 -179.634 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.74 31.64 3.61 Favored Glycine 0 C--O 1.225 -0.407 0 C-N-CA 120.707 -0.759 . . . . 10.0 113.545 178.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' LYS . . . . . 0.74 ' HD2' HG12 ' B' ' 8' ' ' VAL . 10.1 mtmm -65.53 -38.75 90.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.934 0.367 . . . . 10.0 110.384 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 2.9 m -74.02 -41.32 62.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.8 -0.636 . . . . 10.0 110.219 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.35 -45.7 80.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.973 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 89.6 mt -63.37 -44.94 93.31 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.361 -0.381 . . . . 10.0 110.987 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 41.3 m -64.69 -42.62 95.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.036 0.446 . . . . 10.0 110.781 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 78.6 mt -64.46 -34.93 72.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.839 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' GLN . . . . . 0.748 ' HB3' ' HG3' ' B' ' 149' ' ' ARG . 14.6 mm-40 -69.9 -12.76 61.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.2 0.524 . . . . 10.0 110.896 178.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.429 HD22 ' CD2' ' B' ' 156' ' ' PHE . 30.1 tp -100.36 -42.06 6.78 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.934 -0.576 . . . . 10.0 110.872 179.65 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 41.0 mm -84.8 -67.19 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.176 -0.466 . . . . 10.0 111.997 -179.363 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -76.26 -23.14 54.46 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.536 -0.302 . . . . 10.0 111.72 -179.028 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 29.7 m-80 68.25 50.08 0.78 Allowed 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 113.516 0.932 . . . . 10.0 113.516 178.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -162.25 166.52 25.33 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.916 -0.402 . . . . 10.0 109.916 178.535 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -105.51 141.75 36.44 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.077 0.465 . . . . 10.0 111.632 -179.154 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 2.2 m -115.56 127.75 73.03 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 CA-C-N 115.793 -0.64 . . . . 10.0 110.006 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -90.66 -19.0 24.11 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.439 0.638 . . . . 10.0 110.348 179.28 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -81.47 140.66 34.48 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.58 -0.736 . . . . 10.0 109.592 179.467 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' TYR . . . . . 0.736 ' HE1' ' HA2' ' B' ' 13' ' ' GLY . 33.5 t80 -89.8 114.75 26.52 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.545 0.212 . . . . 10.0 110.453 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -113.4 101.2 53.3 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.081 179.069 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.27 115.2 2.21 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 123.083 2.522 . . . . 10.0 112.256 -179.485 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -97.44 101.97 13.63 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.845 -179.704 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 31.5 mm -72.32 -52.64 22.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 108.987 -0.746 . . . . 10.0 108.987 179.354 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -165.58 95.04 0.62 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.091 -0.959 . . . . 10.0 109.392 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -133.98 138.41 45.42 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.655 -0.498 . . . . 10.0 109.655 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 28.9 p -124.98 155.21 40.0 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.5 0.556 . . . . 10.0 112.5 -178.403 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -135.7 152.21 50.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.949 -0.568 . . . . 10.0 109.89 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -122.96 134.7 54.33 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.692 0.282 . . . . 10.0 110.936 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 40.2 tttp -145.13 136.65 25.27 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.468 -0.333 . . . . 10.0 110.775 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -104.27 123.32 47.15 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.956 -0.757 . . . . 10.0 108.956 178.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 2.4 m -134.2 166.31 29.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 112.729 0.64 . . . . 10.0 112.729 -177.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 14.9 t -105.44 92.34 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.323 -0.853 . . . . 10.0 109.609 179.154 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 35.3 mt -103.53 122.87 56.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.662 -0.244 . . . . 10.0 110.673 -178.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 59.63 20.56 9.17 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.917 -0.583 . . . . 10.0 112.039 179.624 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.72 3.14 64.54 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.868 -0.682 . . . . 10.0 112.345 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -109.15 120.76 43.49 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.808 0.337 . . . . 10.0 111.036 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 6.1 m -78.83 108.89 12.61 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.201 -1.037 . . . . 10.0 108.201 178.038 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -126.89 159.77 32.95 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.632 0.605 . . . . 10.0 112.632 -177.428 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 41.7 tp -107.48 122.68 47.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.377 -0.829 . . . . 10.0 109.103 179.138 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 35.3 mt -100.21 129.21 46.2 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 112.251 0.463 . . . . 10.0 112.251 -178.763 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -104.3 98.59 8.36 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.466 -1.309 . . . . 10.0 107.466 178.435 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 6.9 mt -98.88 136.77 28.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.36 -0.382 . . . . 10.0 111.972 -177.718 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 49.2 tp -136.73 118.35 14.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.05 -0.523 . . . . 10.0 111.064 179.697 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 57' ' ' ASP . . . . . 0.481 ' OD1' ' HE2' ' B' ' 16' ' ' LYS . 16.0 t0 -98.68 132.87 43.73 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 109.59 -0.522 . . . . 10.0 109.59 178.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 58' ' ' THR . . . . . 0.524 HG21 ' CE1' ' B' ' 71' ' ' TYR . 0.9 OUTLIER -121.26 153.76 37.24 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.084 0.468 . . . . 10.0 111.914 -179.352 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.69 125.7 26.09 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.704 -0.68 . . . . 10.0 111.383 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -96.83 31.19 7.85 Favored Glycine 0 N--CA 1.451 -0.364 0 N-CA-C 110.562 -1.015 . . . . 10.0 110.562 179.477 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -88.89 13.29 13.02 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.453 -0.374 . . . . 10.0 111.363 -179.428 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.447 ' HB3' ' H ' ' B' ' 63' ' ' GLU . 58.4 mm-40 59.33 -161.98 0.25 Allowed 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.654 -0.703 . . . . 10.0 111.894 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 63' ' ' GLU . . . . . 0.447 ' H ' ' HB3' ' B' ' 62' ' ' GLU . 4.9 tm-20 73.13 -42.33 0.53 Allowed 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.677 0.61 . . . . 10.0 111.76 179.342 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 64' ' ' TYR . . . . . 0.687 ' HB3' ' HB3' ' B' ' 67' ' ' MET . 33.3 m-85 -75.28 65.63 1.64 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.847 0.356 . . . . 10.0 111.46 -179.611 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.9 -50.5 28.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.174 0.511 . . . . 10.0 110.692 179.664 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.7 -21.62 63.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.656 -0.702 . . . . 10.0 111.532 -179.279 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 67' ' ' MET . . . . . 0.687 ' HB3' ' HB3' ' B' ' 64' ' ' TYR . 37.9 ttp -79.97 -20.86 44.56 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.006 0.432 . . . . 10.0 110.238 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 68' ' ' ARG . . . . . 0.53 ' HG3' ' OH ' ' B' ' 71' ' ' TYR . 1.7 ttp180 -70.64 -49.1 51.09 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.972 -0.558 . . . . 10.0 111.311 -179.616 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.468 ' O ' ' HG3' ' B' ' 73' ' ' ARG . 0.9 OUTLIER -51.11 -39.43 56.15 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.548 -179.565 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -49.83 -61.85 1.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.339 -0.846 . . . . 10.0 112.669 -179.136 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 71' ' ' TYR . . . . . 0.53 ' OH ' ' HG3' ' B' ' 68' ' ' ARG . 42.0 p90 -79.05 -19.3 51.74 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 113.466 0.913 . . . . 10.0 113.466 -178.688 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 72' ' ' MET . . . . . 0.512 ' HA ' ' HZ ' ' B' ' 78' ' ' PHE . 43.8 mtt -65.07 -30.09 71.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.038 0.447 . . . . 10.0 111.32 179.63 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 73' ' ' ARG . . . . . 0.468 ' HG3' ' O ' ' B' ' 69' ' ' ASP . 71.5 mtt180 -72.32 -41.89 66.02 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.512 -0.313 . . . . 10.0 111.02 179.371 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 35.2 m -78.63 -42.64 28.29 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.632 0.604 . . . . 10.0 112.632 -178.313 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -56.16 124.35 34.13 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.981 -0.628 . . . . 10.0 113.0 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -89.94 -40.32 12.45 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.036 0.446 . . . . 10.0 110.144 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -122.19 130.28 7.92 Favored Glycine 0 N--CA 1.442 -0.922 0 N-CA-C 110.56 -1.016 . . . . 10.0 110.56 179.019 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 78' ' ' PHE . . . . . 0.643 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 92.2 m-85 -110.31 122.48 47.77 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.544 0.688 . . . . 10.0 111.668 -179.01 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.473 HD23 HG13 ' B' ' 8' ' ' VAL . 20.0 tp -95.85 100.72 12.38 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.471 -0.786 . . . . 10.0 109.879 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 80' ' ' CYS . . . . . 0.407 ' HA ' HG23 ' B' ' 9' ' ' VAL . 0.5 OUTLIER -83.43 107.8 16.17 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.396 -0.365 . . . . 10.0 110.294 179.246 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 81' ' ' VAL . . . . . 0.472 ' HA ' ' O ' ' B' ' 114' ' ' VAL . 72.4 t -112.4 123.91 68.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.038 0.447 . . . . 10.0 111.037 -179.186 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 42.1 p90 -122.84 165.26 16.94 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.16 -0.682 . . . . 10.0 109.16 179.105 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.518 ' HB3' ' HB3' ' B' ' 86' ' ' ASN . . . -103.09 130.26 50.19 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.808 -0.441 . . . . 10.0 109.808 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 84' ' ' ILE . . . . . 0.668 HD13 ' HA ' ' B' ' 118' ' ' CYS . 29.5 pt -64.5 -16.88 20.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 111.855 0.317 . . . . 10.0 111.855 -179.478 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 23.2 p-10 -104.66 13.88 30.77 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.19 0.519 . . . . 10.0 110.365 179.435 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.518 ' HB3' ' HB3' ' B' ' 83' ' ' ALA . 17.6 t-20 -138.57 87.29 2.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.598 -0.728 . . . . 10.0 109.815 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.55 -29.77 66.62 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.999 -0.546 . . . . 10.0 112.255 -179.64 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 24.6 tptp -60.2 -45.06 94.45 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.407 -0.361 . . . . 10.0 110.58 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 93.1 p -64.77 -30.39 71.4 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-O 120.863 0.363 . . . . 10.0 110.645 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -70.83 -39.69 72.87 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.424 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -70.24 -32.51 70.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.476 179.243 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -68.25 -21.17 64.84 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.888 -0.596 . . . . 10.0 112.371 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 47.9 mm -56.99 -46.36 84.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.66 0.267 . . . . 10.0 111.126 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -63.18 -36.47 83.74 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.044 0.45 . . . . 10.0 111.089 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 60.2 m80 -66.53 -41.91 88.02 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.978 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -71.49 -42.25 68.3 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.119 -0.492 . . . . 10.0 110.025 179.42 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 97' ' ' ARG . . . . . 0.44 ' HD3' ' HE2' ' B' ' 101' ' ' LYS . 2.9 tmt_? -56.06 -48.91 75.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.841 -0.618 . . . . 10.0 111.484 -179.455 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -65.28 -35.38 80.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.642 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -69.71 -45.03 69.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.472 -0.331 . . . . 10.0 111.08 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 100' ' ' ILE . . . . . 0.431 HG13 ' HE1' ' B' ' 72' ' ' MET . 94.7 mt -55.49 -47.2 78.76 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.027 179.522 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 101' ' ' LYS . . . . . 0.463 ' HB2' ' HE3' ' B' ' 101' ' ' LYS . 30.6 mtmt -64.57 -24.74 67.7 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.554 -0.748 . . . . 10.0 112.022 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 25.6 ttm180 -77.21 -47.41 20.3 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.89 0.376 . . . . 10.0 110.309 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 39.5 t -63.79 -45.19 97.9 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 CA-C-N 115.773 -0.649 . . . . 10.0 111.058 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 104' ' ' LYS . . . . . 0.47 ' HD2' ' HE2' ' B' ' 78' ' ' PHE . 26.7 mtpp -80.29 -16.74 53.96 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.65 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 26.8 t70 54.14 66.44 1.23 Allowed 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.288 -0.869 . . . . 10.0 111.37 -179.551 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 34.8 t -171.66 140.77 1.37 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.511 -0.768 . . . . 10.0 110.282 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -83.7 -18.85 36.53 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.191 -0.67 . . . . 10.0 109.191 178.739 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -96.98 85.74 3.82 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.688 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 73.5 t -122.61 119.55 28.18 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 116.185 -0.462 . . . . 10.0 109.935 179.546 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -58.08 110.9 0.7 Allowed 'Trans proline' 0 C--O 1.237 0.458 0 C-N-CA 123.014 2.476 . . . . 10.0 111.664 179.435 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 111' ' ' MET . . . . . 0.643 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 50.9 mtm -142.64 147.32 35.58 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.635 -0.711 . . . . 10.0 110.171 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 88.8 t -130.66 126.2 60.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 109.506 -0.553 . . . . 10.0 109.506 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 21.0 tp -85.07 112.11 20.36 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.833 -0.432 . . . . 10.0 109.833 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 114' ' ' VAL . . . . . 0.472 ' O ' ' HA ' ' B' ' 81' ' ' VAL . 99.1 t -123.35 130.99 73.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.193 -178.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -101.64 134.22 11.65 Favored Glycine 0 N--CA 1.442 -0.934 0 N-CA-C 110.567 -1.013 . . . . 10.0 110.567 178.751 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -106.51 164.78 11.78 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.87 0.335 . . . . 10.0 110.445 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 117' ' ' LYS . . . . . 0.686 ' HB3' HD12 ' B' ' 120' ' ' LEU . 82.9 mttt 65.18 28.25 12.16 Favored 'General case' 0 N--CA 1.463 0.211 0 O-C-N 123.722 0.639 . . . . 10.0 111.625 179.579 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 118' ' ' CYS . . . . . 0.668 ' HA ' HD13 ' B' ' 84' ' ' ILE . 60.3 m -66.62 -10.74 48.9 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 112.754 0.65 . . . . 10.0 112.754 -179.504 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -91.2 -4.87 55.67 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.897 0.38 . . . . 10.0 110.824 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 120' ' ' LEU . . . . . 0.686 HD12 ' HB3' ' B' ' 117' ' ' LYS . 14.1 mt -80.95 129.58 67.01 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.75 179.599 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 121' ' ' PRO . . . . . 0.499 ' HD3' ' HA ' ' B' ' 120' ' ' LEU . 14.9 Cg_exo -69.17 153.49 71.56 Favored 'Trans proline' 0 C--O 1.235 0.325 0 C-N-CA 123.008 2.472 . . . . 10.0 112.092 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 7.4 m 61.5 76.79 0.35 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.676 -0.693 . . . . 10.0 111.988 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 123' ' ' ARG . . . . . 0.593 ' HB3' HD12 ' B' ' 84' ' ' ILE . 6.4 ptp180 -86.48 159.95 19.15 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.768 -0.651 . . . . 10.0 111.014 -179.658 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.38 -39.45 5.66 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.119 -0.491 . . . . 10.0 109.691 178.754 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 125' ' ' VAL . . . . . 0.561 ' O ' ' HD3' ' B' ' 123' ' ' ARG . 61.6 t -89.64 118.82 35.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 109.231 -0.655 . . . . 10.0 109.231 178.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 126' ' ' ASP . . . . . 0.6 ' O ' ' HG2' ' B' ' 129' ' ' GLN . 11.6 t70 -82.0 137.76 35.04 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.708 -179.406 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 11.3 m -56.62 -36.55 69.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.066 0.46 . . . . 10.0 111.312 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.14 -49.39 74.07 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.667 -0.697 . . . . 10.0 111.259 -179.754 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 129' ' ' GLN . . . . . 0.6 ' HG2' ' O ' ' B' ' 126' ' ' ASP . 3.1 pt20 -70.54 -34.65 72.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.048 0.451 . . . . 10.0 111.666 -179.241 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.79 -41.19 88.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.563 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -71.3 -31.45 67.45 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.926 -0.579 . . . . 10.0 110.47 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -64.06 -40.06 95.44 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 109.47 -0.567 . . . . 10.0 109.47 178.602 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 23.3 tp -67.78 -40.65 83.95 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.851 -0.613 . . . . 10.0 109.588 178.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.75 -37.0 85.72 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.086 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 135' ' ' ARG . . . . . 0.572 ' HG3' ' HG2' ' C' ' 161' ' ' ARG . 0.3 OUTLIER -64.1 -42.36 96.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.476 179.41 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 23.9 m -70.96 -17.28 62.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.458 0.647 . . . . 10.0 110.911 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 9.6 m-30 -90.46 -39.77 12.42 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.528 -0.76 . . . . 10.0 109.596 178.76 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 95.12 15.89 43.09 Favored Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 110.723 -0.951 . . . . 10.0 110.723 -179.144 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 47.4 pt -114.01 157.74 41.22 Favored Pre-proline 0 C--N 1.321 -0.638 0 N-CA-C 110.167 -0.308 . . . . 10.0 110.167 -179.102 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo -74.94 149.27 36.74 Favored 'Trans proline' 0 C--O 1.236 0.422 0 C-N-CA 122.784 2.323 . . . . 10.0 112.575 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -119.42 134.59 55.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.767 -0.651 . . . . 10.0 109.52 179.423 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 142' ' ' ILE . . . . . 0.409 ' CD1' ' HA ' ' B' ' 155' ' ' ALA . 26.9 mt -133.32 137.05 53.99 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 CA-C-O 120.99 0.424 . . . . 10.0 111.739 -179.239 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -99.23 121.55 41.21 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 108.594 -0.891 . . . . 10.0 108.594 178.563 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 144' ' ' THR . . . . . 0.505 HG22 ' HA3' ' B' ' 151' ' ' GLY . 72.0 p -134.28 179.24 6.39 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.564 0.697 . . . . 10.0 112.545 -178.079 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 3.0 t -153.21 126.15 8.4 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.822 -1.081 . . . . 10.0 108.429 178.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -78.54 -30.51 47.01 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.915 -0.402 . . . . 10.0 109.915 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -63.11 -35.45 80.32 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.673 -0.694 . . . . 10.0 111.136 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 32.2 p -104.85 -11.66 16.65 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 121.02 -0.272 . . . . 10.0 111.558 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 149' ' ' ARG . . . . . 0.748 ' HG3' ' HB3' ' B' ' 22' ' ' GLN . 2.8 ttt-85 63.7 25.38 14.2 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.196 0.522 . . . . 10.0 111.127 -178.824 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -91.57 129.65 37.51 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.238 -179.604 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 151' ' ' GLY . . . . . 0.505 ' HA3' HG22 ' B' ' 144' ' ' THR . . . 85.63 -8.87 70.21 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.992 -0.623 . . . . 10.0 112.208 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 54.7 t -56.22 -42.28 72.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.015 0.436 . . . . 10.0 111.369 -179.434 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -67.54 -50.37 58.97 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.779 0.323 . . . . 10.0 111.025 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -56.3 -41.1 75.39 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.887 -0.597 . . . . 10.0 111.892 -178.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 155' ' ' ALA . . . . . 0.409 ' HA ' ' CD1' ' B' ' 142' ' ' ILE . . . -59.1 -53.9 53.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.964 -0.562 . . . . 10.0 111.568 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 156' ' ' PHE . . . . . 0.429 ' CD2' HD22 ' B' ' 23' ' ' LEU . 18.7 m-85 -68.58 -35.74 77.78 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.223 -0.444 . . . . 10.0 112.186 -178.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -61.12 -45.3 95.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.073 0.463 . . . . 10.0 110.578 179.191 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 22.8 m -69.18 -34.09 74.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.817 -0.628 . . . . 10.0 110.791 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 159' ' ' LEU . . . . . 0.421 ' HG ' HD22 ' B' ' 6' ' ' LEU . 32.9 tp -60.02 -42.74 95.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.023 -0.535 . . . . 10.0 111.314 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 62.8 t -74.39 -40.57 49.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.717 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 161' ' ' ARG . . . . . 0.891 ' HG2' ' HG3' ' C' ' 135' ' ' ARG . 7.5 ttp180 -57.5 -37.11 72.45 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.454 -0.794 . . . . 10.0 111.75 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -62.77 -37.17 85.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.386 -0.37 . . . . 10.0 110.837 179.408 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 59.2 mt -65.42 -42.63 93.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 N-CA-C 109.327 -0.62 . . . . 10.0 109.327 179.348 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 -60.94 -41.74 96.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 10.0 109.713 178.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 165' ' ' LYS . . . . . 0.47 ' HB2' ' HD3' ' C' ' 135' ' ' ARG . 34.7 ttmt . . . . . 0 C--O 1.235 0.291 0 CA-C-N 115.537 -0.756 . . . . 10.0 110.327 179.326 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 4.2 m . . . . . 0 N--CA 1.45 -0.43 0 CA-C-O 120.739 0.304 . . . . 10.0 110.351 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -81.17 129.76 34.72 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.365 -0.38 . . . . 10.0 110.646 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -90.19 138.86 31.18 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.916 -0.402 . . . . 10.0 109.916 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -133.78 120.55 20.66 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 110.096 -0.335 . . . . 10.0 110.096 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 5' ' ' LYS . . . . . 0.49 ' HA ' ' HB3' ' C' ' 54' ' ' ASP . 58.1 mttm -85.53 106.09 16.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.948 0.404 . . . . 10.0 111.063 -179.247 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 6' ' ' LEU . . . . . 0.458 ' O ' ' HA ' ' C' ' 55' ' ' ILE . 44.2 mt -106.68 118.62 37.15 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.687 -0.688 . . . . 10.0 110.781 -179.119 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 58.1 t -106.63 128.35 61.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.544 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.686 HG12 ' HD2' ' C' ' 16' ' ' LYS . 4.6 t -93.45 119.65 41.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 109.627 -0.508 . . . . 10.0 109.627 179.465 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 7.0 m -116.94 140.98 37.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.959 0.409 . . . . 10.0 111.154 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 166.57 168.23 28.44 Favored Glycine 0 N--CA 1.444 -0.809 0 C-N-CA 120.598 -0.811 . . . . 10.0 111.464 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.39 -164.93 0.09 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.732 0.777 . . . . 10.0 112.805 -179.118 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -86.02 142.96 28.38 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.395 -0.82 . . . . 10.0 111.976 -179.403 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 59.35 30.47 67.91 Favored Glycine 0 N--CA 1.448 -0.543 0 CA-C-N 115.493 -0.776 . . . . 10.0 114.663 178.666 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 22.4 m -89.76 -28.33 5.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 117.634 0.717 . . . . 10.0 111.663 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 15' ' ' GLY . . . . . 0.414 ' HA3' ' ND2' ' C' ' 116' ' ' ASN . . . 118.82 18.89 4.6 Favored Glycine 0 C--O 1.227 -0.284 0 C-N-CA 120.654 -0.784 . . . . 10.0 114.243 178.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 16' ' ' LYS . . . . . 0.686 ' HD2' HG12 ' C' ' 8' ' ' VAL . 15.5 mtmm -62.03 -42.94 99.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.398 0.618 . . . . 10.0 111.024 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 24.5 m -72.87 -43.56 62.39 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.916 -0.583 . . . . 10.0 110.06 179.697 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.76 -47.21 83.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.356 -0.384 . . . . 10.0 111.413 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 19' ' ' LEU . . . . . 0.403 HD23 HG22 ' C' ' 152' ' ' VAL . 36.0 mt -59.73 -47.89 83.85 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.984 0.421 . . . . 10.0 110.77 179.569 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 11.8 m -65.85 -49.16 69.15 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 115.603 -0.726 . . . . 10.0 112.205 -179.296 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 88.7 mt -60.48 -39.19 80.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.034 0.445 . . . . 10.0 110.891 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 22' ' ' GLN . . . . . 0.572 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 1.7 mm100 -69.01 -15.02 63.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.17 -0.468 . . . . 10.0 111.524 179.436 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 18.4 tp -97.94 -37.38 9.82 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.172 0.511 . . . . 10.0 110.871 179.486 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 41.7 mm -79.13 -63.61 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.077 -0.51 . . . . 10.0 111.347 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 25' ' ' GLN . . . . . 0.42 ' HB2' ' HD2' ' C' ' 27' ' ' HIS . 69.4 mt-30 -89.06 -18.01 28.16 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.715 0.265 . . . . 10.0 111.715 -179.09 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 26' ' ' ASN . . . . . 0.572 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 24.5 m-80 67.67 40.96 2.37 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 113.583 0.957 . . . . 10.0 113.583 178.769 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 27' ' ' HIS . . . . . 0.42 ' HD2' ' HB2' ' C' ' 25' ' ' GLN . 3.9 p80 -141.75 152.19 43.57 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.15 -0.477 . . . . 10.0 109.893 178.422 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -104.49 130.54 52.41 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.966 0.412 . . . . 10.0 110.813 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 2.9 m -96.24 145.46 8.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.02 -0.537 . . . . 10.0 110.203 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -101.43 -17.34 16.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.317 0.579 . . . . 10.0 110.186 179.006 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -92.23 140.28 29.77 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.461 -0.79 . . . . 10.0 110.289 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -86.98 119.79 27.56 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.997 -0.547 . . . . 10.0 111.131 -179.651 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 33' ' ' ASP . . . . . 0.404 ' HA ' ' HD3' ' C' ' 34' ' ' PRO . 19.1 t70 -111.74 115.06 51.61 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.218 -0.447 . . . . 10.0 110.362 178.605 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 34' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' C' ' 33' ' ' ASP . 22.1 Cg_exo -66.27 100.86 0.48 Allowed 'Trans proline' 0 N--CA 1.462 -0.357 0 C-N-CA 122.551 2.167 . . . . 10.0 111.466 179.655 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -88.5 132.95 34.29 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.344 179.688 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 36' ' ' ILE . . . . . 0.717 ' HA ' ' HB2' ' C' ' 59' ' ' ALA . 48.0 mm -104.78 -58.04 4.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.028 -0.73 . . . . 10.0 109.028 178.401 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -152.01 89.79 1.48 Allowed 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.713 -0.676 . . . . 10.0 110.24 179.251 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -128.16 130.18 47.66 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 110.055 -0.35 . . . . 10.0 110.055 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 22.6 p -120.48 151.92 38.7 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.22 0.533 . . . . 10.0 112.425 -178.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -133.07 154.67 50.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.741 -0.663 . . . . 10.0 109.405 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -123.4 124.14 42.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.967 0.413 . . . . 10.0 111.068 -179.335 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -137.34 135.19 36.83 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.458 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -110.18 114.15 27.41 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.06 0.457 . . . . 10.0 110.477 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 5.9 m -127.27 169.03 19.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.967 -0.56 . . . . 10.0 111.129 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 47.0 t -96.93 99.79 9.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.938 0.399 . . . . 10.0 110.412 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 49.6 mt -107.25 119.81 57.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.299 -0.41 . . . . 10.0 110.794 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 66.93 8.35 6.02 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.249 -0.887 . . . . 10.0 112.24 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 111.68 -18.66 24.51 Favored Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.701 -0.762 . . . . 10.0 112.539 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 49' ' ' GLU . . . . . 0.483 ' HB3' ' NH2' ' C' ' 164' ' ' ARG . 45.1 tt0 -104.6 137.22 42.76 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.607 0.242 . . . . 10.0 110.47 -179.613 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -69.71 127.13 31.87 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.673 -0.491 . . . . 10.0 109.673 179.279 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 9.1 m -125.16 135.2 52.4 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 112.065 0.395 . . . . 10.0 112.065 -178.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 53.2 tp -94.84 104.43 16.33 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.077 -1.083 . . . . 10.0 108.077 178.428 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 32.1 mt -82.45 116.25 21.82 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 112.628 0.603 . . . . 10.0 112.628 -177.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 54' ' ' ASP . . . . . 0.49 ' HB3' ' HA ' ' C' ' 5' ' ' LYS . 32.7 t70 -98.59 88.85 4.2 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 107.436 -1.32 . . . . 10.0 107.436 177.339 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 55' ' ' ILE . . . . . 0.458 ' HA ' ' O ' ' C' ' 6' ' ' LEU . 21.3 mt -93.61 135.1 29.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.765 -0.652 . . . . 10.0 111.736 -177.643 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 22.5 tp -133.33 122.77 24.3 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.88 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 57' ' ' ASP . . . . . 0.57 ' OD1' ' HE2' ' C' ' 16' ' ' LYS . 24.5 t0 -87.25 132.65 33.84 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 109.215 -0.661 . . . . 10.0 109.215 178.618 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 44.8 p -103.16 149.99 24.1 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.92 0.39 . . . . 10.0 111.427 -178.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 59' ' ' ALA . . . . . 0.717 ' HB2' ' HA ' ' C' ' 36' ' ' ILE . . . -69.27 111.93 5.51 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.356 179.123 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -85.4 25.76 6.14 Favored Glycine 0 C--O 1.23 -0.121 0 C-N-CA 120.839 -0.696 . . . . 10.0 112.983 -179.271 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -95.18 6.81 48.02 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.529 0.204 . . . . 10.0 110.973 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 62' ' ' GLU . . . . . 0.452 ' HA ' ' OE1' ' C' ' 62' ' ' GLU . 0.7 OUTLIER 62.59 -148.76 0.36 Allowed 'General case' 0 C--O 1.236 0.367 0 N-CA-C 109.46 -0.57 . . . . 10.0 109.46 -178.678 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 72.28 -49.29 0.69 Allowed 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 112.604 0.594 . . . . 10.0 112.604 178.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 64' ' ' TYR . . . . . 0.736 ' HB3' ' HB3' ' C' ' 67' ' ' MET . 54.8 m-85 -75.93 70.71 2.69 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.597 0.592 . . . . 10.0 112.597 -178.696 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.18 -25.66 52.07 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.925 0.393 . . . . 10.0 110.721 179.477 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -91.83 -35.99 13.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.495 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 67' ' ' MET . . . . . 0.736 ' HB3' ' HB3' ' C' ' 64' ' ' TYR . 34.7 ttp -67.16 -25.56 66.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.387 0.613 . . . . 10.0 110.928 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 68' ' ' ARG . . . . . 0.606 ' HA ' ' CZ ' ' C' ' 71' ' ' TYR . 0.2 OUTLIER -66.07 -31.24 72.0 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.668 -0.697 . . . . 10.0 111.477 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -59.31 -36.41 75.57 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 112.746 0.647 . . . . 10.0 112.746 -178.543 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -64.25 -59.83 3.93 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 113.138 0.792 . . . . 10.0 113.138 -178.297 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 71' ' ' TYR . . . . . 0.606 ' CZ ' ' HA ' ' C' ' 68' ' ' ARG . 7.8 p90 -69.06 -21.92 64.06 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.043 1.127 . . . . 10.0 114.043 -178.615 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 72' ' ' MET . . . . . 0.605 ' HE1' HG13 ' C' ' 100' ' ' ILE . 26.6 mtt -72.91 -28.93 62.75 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.122 0.487 . . . . 10.0 111.127 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 36.7 ttm105 -86.12 -35.34 20.25 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.419 179.243 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 3.3 m -79.5 -23.22 43.11 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.806 -0.634 . . . . 10.0 111.836 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -82.08 143.99 23.44 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.595 -0.812 . . . . 10.0 113.588 -179.336 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -102.09 -54.13 2.77 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.307 0.575 . . . . 10.0 109.791 179.389 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -106.34 132.28 11.05 Favored Glycine 0 N--CA 1.445 -0.703 0 N-CA-C 110.816 -0.914 . . . . 10.0 110.816 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 78' ' ' PHE . . . . . 0.701 ' HB2' ' HG2' ' C' ' 111' ' ' MET . 97.6 m-85 -113.96 124.4 52.08 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.182 0.515 . . . . 10.0 111.939 -179.255 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 16.8 tp -98.81 107.82 20.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.747 -0.66 . . . . 10.0 109.963 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 80' ' ' CYS . . . . . 0.615 ' HB3' HD12 ' C' ' 93' ' ' ILE . 4.2 m -82.85 92.76 7.34 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.45 -179.57 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 62.7 t -95.22 130.28 44.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.087 0.47 . . . . 10.0 111.543 -179.421 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 82' ' ' PHE . . . . . 0.594 ' HB2' ' HB2' ' C' ' 89' ' ' SER . 29.4 p90 -144.22 147.85 34.16 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.697 -0.683 . . . . 10.0 109.847 178.712 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -88.0 134.37 33.75 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.489 -0.323 . . . . 10.0 110.168 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 84' ' ' ILE . . . . . . . . . . . . . 29.6 pt -69.0 -15.73 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.953 0.406 . . . . 10.0 111.858 -179.501 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 26.4 p-10 -104.15 22.47 14.67 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.45 0.643 . . . . 10.0 110.056 179.318 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 86' ' ' ASN . . . . . 0.536 ' OD1' ' HB3' ' C' ' 88' ' ' LYS . 38.0 t-20 -147.13 99.39 3.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.609 -0.723 . . . . 10.0 110.518 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 1.8 m -63.46 -26.89 68.93 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.003 -0.544 . . . . 10.0 111.932 -179.317 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 88' ' ' LYS . . . . . 0.536 ' HB3' ' OD1' ' C' ' 86' ' ' ASN . 21.6 tptp -57.51 -49.38 76.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.682 -0.236 . . . . 10.0 110.52 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 89' ' ' SER . . . . . 0.594 ' HB2' ' HB2' ' C' ' 82' ' ' PHE . 0.1 OUTLIER -66.89 -27.2 67.32 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.052 -0.522 . . . . 10.0 111.918 -179.887 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -69.41 -49.58 53.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.834 0.349 . . . . 10.0 111.258 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -74.34 -23.86 59.1 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.362 -0.381 . . . . 10.0 111.034 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 92' ' ' ASP . . . . . 0.435 ' O ' ' HD2' ' C' ' 96' ' ' TYR . 3.1 m-20 -64.92 -25.73 68.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.913 -0.585 . . . . 10.0 111.466 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 93' ' ' ILE . . . . . 0.615 HD12 ' HB3' ' C' ' 80' ' ' CYS . 36.8 mm -54.93 -41.7 59.59 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 CA-C-O 120.962 0.411 . . . . 10.0 110.653 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -61.46 -43.77 98.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.937 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 60.8 m-70 -62.97 -43.12 99.65 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.618 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 96' ' ' TYR . . . . . 0.435 ' HD2' ' O ' ' C' ' 92' ' ' ASP . 31.2 m-85 -64.84 -44.36 90.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.622 179.521 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 35.0 ttt-85 -56.88 -45.13 82.73 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 116.303 -0.408 . . . . 10.0 111.389 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -64.12 -43.73 94.42 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.464 -0.335 . . . . 10.0 111.075 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 99' ' ' GLN . . . . . 0.401 ' O ' HG23 ' C' ' 103' ' ' VAL . 42.8 tt0 -64.04 -43.53 95.27 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.927 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 100' ' ' ILE . . . . . 0.605 HG13 ' HE1' ' C' ' 72' ' ' MET . 77.0 mt -60.56 -50.38 80.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.085 0.469 . . . . 10.0 110.284 179.607 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 101' ' ' LYS . . . . . 0.489 ' HD2' ' HA ' ' C' ' 107' ' ' GLU . 5.2 mtmp? -63.98 -28.31 69.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.876 -0.602 . . . . 10.0 111.796 -179.6 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 14.0 ttm180 -75.13 -48.95 21.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.575 179.318 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 103' ' ' VAL . . . . . 0.401 HG23 ' O ' ' C' ' 99' ' ' GLN . 87.2 t -63.48 -48.06 88.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.881 -179.464 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -77.55 -15.68 59.11 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.803 0.335 . . . . 10.0 111.411 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 28.6 t70 57.34 53.44 7.59 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.518 -0.764 . . . . 10.0 111.207 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 15.9 t -161.05 143.04 12.18 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.507 -0.77 . . . . 10.0 109.97 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 107' ' ' GLU . . . . . 0.489 ' HA ' ' HD2' ' C' ' 101' ' ' LYS . 1.3 tp10 -85.1 -24.21 28.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.155 179.715 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -96.25 96.61 8.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.177 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 60.6 t -130.59 129.75 22.8 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.135 -0.484 . . . . 10.0 109.913 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -62.56 99.72 0.21 Allowed 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.602 2.202 . . . . 10.0 111.928 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 111' ' ' MET . . . . . 0.701 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 85.2 mtp -132.24 144.08 50.37 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.214 -179.576 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 68.9 t -129.28 132.12 67.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.311 -0.404 . . . . 10.0 110.547 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 19.8 tp -87.31 120.68 28.85 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.742 -0.466 . . . . 10.0 109.742 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 4.7 t -123.79 118.66 54.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 112.598 0.592 . . . . 10.0 112.598 -179.219 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -93.34 127.32 8.97 Favored Glycine 0 N--CA 1.443 -0.874 0 N-CA-C 109.188 -1.565 . . . . 10.0 109.188 177.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 116' ' ' ASN . . . . . 0.414 ' ND2' ' HA3' ' C' ' 15' ' ' GLY . 65.7 t30 -112.86 164.92 12.83 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 112.493 0.553 . . . . 10.0 112.493 -178.255 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 117' ' ' LYS . . . . . 0.457 ' HB3' HD12 ' C' ' 120' ' ' LEU . 81.1 mttt 70.76 32.5 2.47 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 113.134 0.79 . . . . 10.0 113.134 179.125 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 118' ' ' CYS . . . . . . . . . . . . . 91.5 m -75.2 11.05 1.27 Allowed 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.491 0.552 . . . . 10.0 112.491 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -97.92 -15.33 20.2 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.659 0.742 . . . . 10.0 109.244 179.14 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 120' ' ' LEU . . . . . 0.457 HD12 ' HB3' ' C' ' 117' ' ' LYS . 15.9 mt -88.61 145.53 35.44 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.123 -0.944 . . . . 10.0 111.204 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -84.73 177.13 5.73 Favored 'Trans proline' 0 N--CA 1.455 -0.744 0 C-N-CA 122.44 2.093 . . . . 10.0 110.598 178.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 1.6 m 56.86 68.13 0.9 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.008 0.432 . . . . 10.0 111.061 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 123' ' ' ARG . . . . . 0.458 ' HD3' ' O ' ' C' ' 125' ' ' VAL . 5.1 ptp180 -80.56 137.27 36.39 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.152 -0.477 . . . . 10.0 111.789 -179.462 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.19 -42.28 10.53 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.321 0.582 . . . . 10.0 109.893 179.38 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 125' ' ' VAL . . . . . 0.458 ' O ' ' HD3' ' C' ' 123' ' ' ARG . 58.2 t -89.65 128.74 41.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.533 -0.758 . . . . 10.0 109.617 179.107 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 126' ' ' ASP . . . . . 0.557 ' O ' ' HG2' ' C' ' 129' ' ' GLN . 1.7 t0 -90.38 139.73 30.39 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.779 -179.542 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 127' ' ' THR . . . . . 0.42 ' O ' ' HG3' ' C' ' 131' ' ' GLN . 5.5 m -60.87 -45.29 95.13 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.405 -0.361 . . . . 10.0 111.31 -179.197 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 4.9 ptmt -57.08 -36.39 70.52 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 113.881 1.067 . . . . 10.0 113.881 -178.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 129' ' ' GLN . . . . . 0.557 ' HG2' ' O ' ' C' ' 126' ' ' ASP . 2.8 pt20 -74.32 -22.57 59.19 Favored 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 111.973 0.36 . . . . 10.0 111.973 -179.191 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -93.32 -27.13 16.97 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.024 179.353 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 131' ' ' GLN . . . . . 0.559 ' HB3' ' CZ ' ' B' ' 161' ' ' ARG . 82.2 mt-30 -60.15 -60.44 3.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.557 -0.747 . . . . 10.0 112.182 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 132' ' ' ASP . . . . . 0.55 ' HA ' ' HD2' ' B' ' 161' ' ' ARG . 18.6 t70 -69.81 -22.4 63.31 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.741 0.305 . . . . 10.0 111.666 -179.716 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 56.4 tp -64.02 -43.51 95.39 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.757 -0.831 . . . . 10.0 108.757 178.552 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 134' ' ' ALA . . . . . 0.412 ' HB1' HG13 ' C' ' 139' ' ' ILE . . . -73.62 -29.15 62.19 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.607 -0.724 . . . . 10.0 110.503 179.113 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 135' ' ' ARG . . . . . 0.891 ' HG3' ' HG2' ' B' ' 161' ' ' ARG . 6.4 tmm_? -64.25 -42.9 96.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.886 179.502 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 8.7 t -58.39 -34.35 70.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.951 -179.4 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -93.77 -24.44 17.8 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.029 0.442 . . . . 10.0 111.735 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 86.71 43.1 6.19 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.867 -0.683 . . . . 10.0 112.152 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 139' ' ' ILE . . . . . 0.412 HG13 ' HB1' ' C' ' 134' ' ' ALA . 10.6 pt -122.24 145.73 45.02 Favored Pre-proline 0 C--N 1.326 -0.421 0 N-CA-C 110.422 -0.214 . . . . 10.0 110.422 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 140' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' C' ' 139' ' ' ILE . 16.3 Cg_exo -68.37 147.63 72.01 Favored 'Trans proline' 0 C--O 1.236 0.399 0 C-N-CA 122.916 2.41 . . . . 10.0 112.197 -179.628 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -130.12 119.42 23.0 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.812 -0.631 . . . . 10.0 110.546 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 54.8 mt -119.65 133.63 65.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.077 -0.712 . . . . 10.0 109.077 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -125.02 105.85 9.5 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 110.264 -0.273 . . . . 10.0 110.264 -179.603 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 144' ' ' THR . . . . . 0.5 ' HB ' ' H ' ' C' ' 145' ' ' SER . 0.1 OUTLIER -149.54 -146.81 0.21 Allowed 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 111.691 0.256 . . . . 10.0 111.691 -179.774 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 145' ' ' SER . . . . . 0.5 ' H ' ' HB ' ' C' ' 144' ' ' THR . 28.8 t -154.65 143.19 20.64 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.009 0.433 . . . . 10.0 111.257 -178.611 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -77.68 -32.66 53.23 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.279 -0.637 . . . . 10.0 109.279 178.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -56.8 -39.87 74.92 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.107 -0.952 . . . . 10.0 111.13 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 148' ' ' THR . . . . . 0.421 ' C ' ' H ' ' C' ' 150' ' ' GLN . 0.0 OUTLIER -90.39 -9.83 46.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 10.0 111.575 -179.848 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 73.65 -28.98 0.19 Allowed 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.653 0.781 . . . . 10.0 112.323 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 150' ' ' GLN . . . . . 0.421 ' H ' ' C ' ' C' ' 148' ' ' THR . 56.6 tt0 -62.91 127.21 30.2 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.868 -0.605 . . . . 10.0 110.499 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 99.2 -16.8 58.81 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.91 -0.662 . . . . 10.0 112.867 179.008 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 152' ' ' VAL . . . . . 0.403 HG22 HD23 ' C' ' 19' ' ' LEU . 98.8 t -68.0 -39.64 81.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.715 0.293 . . . . 10.0 111.076 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -59.64 -54.08 50.61 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.81 0.338 . . . . 10.0 110.589 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -63.04 -33.81 76.24 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.867 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -56.4 -32.08 64.47 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.374 -0.375 . . . . 10.0 111.624 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -101.3 -27.68 13.05 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.405 -0.361 . . . . 10.0 111.283 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -66.96 -55.5 14.25 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.33 0.493 . . . . 10.0 112.33 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 158' ' ' THR . . . . . 0.414 ' O ' ' HG2' ' C' ' 162' ' ' GLU . 22.9 m -60.21 -34.92 74.32 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 120.683 0.277 . . . . 10.0 111.508 -179.529 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 57.1 tp -58.4 -46.8 85.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 10.0 111.312 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 98.6 t -66.77 -37.88 80.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.195 0.522 . . . . 10.0 110.355 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 161' ' ' ARG . . . . . 0.572 ' HG2' ' HG3' ' B' ' 135' ' ' ARG . 8.9 ttp180 -64.59 -34.71 78.9 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.571 -0.74 . . . . 10.0 111.061 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 162' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' C' ' 158' ' ' THR . 5.0 mm-40 -66.87 -31.99 72.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.351 -0.386 . . . . 10.0 110.668 179.23 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 57.2 mt -65.67 -38.11 81.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 108.922 -0.77 . . . . 10.0 108.922 178.651 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 164' ' ' ARG . . . . . 0.483 ' NH2' ' HB3' ' C' ' 49' ' ' GLU . 69.3 mtt180 -69.47 -44.53 70.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.123 -0.944 . . . . 10.0 109.114 178.605 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 31.7 ttmt -59.71 -40.13 86.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.78 -0.646 . . . . 10.0 110.753 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 19.8 t-80 -55.76 -46.83 77.78 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.06 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 96.4 mttt . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 116.075 -0.511 . . . . 10.0 111.03 -179.547 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? . . . . . 0 C--O 1.236 0.342 0 N-CA-C 111.56 0.208 . . . . 10.0 111.56 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 89.0 mt -68.48 -34.16 75.44 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.065 0.394 . . . . 10.0 112.065 -179.111 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 73.7 mt -68.58 -50.66 50.0 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.132 -0.485 . . . . 10.0 111.034 -179.65 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.26 -38.28 86.14 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 121.014 0.435 . . . . 10.0 111.314 179.763 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 206' ' ' ASN . . . . . 0.487 HD22 ' HA ' ' A' ' 206' ' ' ASN . 1.6 m120 -72.61 -26.54 61.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.253 -0.431 . . . . 10.0 111.271 179.639 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 7.8 t90 -70.31 -28.37 65.12 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.649 -0.5 . . . . 10.0 109.649 179.32 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -63.16 -34.19 77.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.9 -0.591 . . . . 10.0 110.356 179.281 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.99 -29.24 67.4 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.305 0.574 . . . . 10.0 109.906 178.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 23.4 t -74.44 -40.81 49.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 108.81 -0.811 . . . . 10.0 108.81 178.387 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 22.4 m -60.62 -45.72 92.97 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.568 -0.742 . . . . 10.0 110.331 179.143 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 2.8 p -64.66 -45.39 86.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.356 -0.383 . . . . 10.0 110.67 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 88.8 m -59.79 -45.33 92.64 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.327 178.713 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -64.1 -37.91 89.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.562 179.396 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 215' ' ' SER . . . . . 0.566 ' O ' ' HG3' ' A' ' 219' ' ' GLU . 61.6 m -62.26 -46.28 89.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.072 -0.513 . . . . 10.0 109.83 179.047 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -65.4 -39.39 92.14 Favored 'General case' 0 CA--C 1.521 -0.137 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.032 179.083 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 217' ' ' LEU . . . . . 0.434 ' O ' ' HG ' ' A' ' 221' ' ' LEU . 52.7 mt -59.45 -42.56 92.25 Favored 'General case' 0 C--O 1.226 -0.159 0 CA-C-N 115.888 -0.596 . . . . 10.0 109.957 178.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 50.2 mtt180 -67.87 -37.28 81.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.076 -0.511 . . . . 10.0 111.227 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 219' ' ' GLU . . . . . 0.566 ' HG3' ' O ' ' A' ' 215' ' ' SER . 41.7 mt-10 -67.3 -25.83 66.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.126 0.489 . . . . 10.0 109.922 179.137 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 220' ' ' GLN . . . . . 0.431 ' O ' HG23 ' A' ' 224' ' ' VAL . 7.8 tp-100 -88.68 -32.4 18.01 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.71 -0.677 . . . . 10.0 109.362 178.579 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 221' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 217' ' ' LEU . 26.2 mt -57.8 -31.99 67.11 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.971 -0.559 . . . . 10.0 111.15 179.748 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -58.39 -67.44 2.19 Favored Glycine 0 C--N 1.332 0.318 0 N-CA-C 110.344 -1.103 . . . . 10.0 110.344 178.297 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -53.51 -36.26 79.43 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.662 2.242 . . . . 10.0 110.663 177.352 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 224' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 220' ' ' GLN . 24.9 t -58.99 -52.89 55.24 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.209 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.792 178.751 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 225' ' ' THR . . . . . 0.542 ' O ' ' HB2' ' A' ' 229' ' ' TRP . 2.4 p -65.1 -35.16 80.25 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.986 -0.285 . . . . 10.0 110.722 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -65.74 -55.64 16.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.841 0.353 . . . . 10.0 110.475 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -65.05 -41.1 95.47 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.099 -0.5 . . . . 10.0 111.862 -179.288 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -63.87 -47.15 81.83 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.597 -0.274 . . . . 10.0 110.636 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 229' ' ' TRP . . . . . 0.542 ' HB2' ' O ' ' A' ' 225' ' ' THR . 1.2 m-90 -68.37 -35.75 78.17 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.408 -0.36 . . . . 10.0 110.805 179.657 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -60.49 -48.44 81.75 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.483 -0.562 . . . . 10.0 109.483 178.531 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 231' ' ' ASN . . . . . 0.942 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 42.4 m-80 -68.62 -33.23 73.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.831 -0.622 . . . . 10.0 109.934 178.349 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 232' ' ' LEU . . . . . 0.49 ' HB2' ' HA ' ' A' ' 229' ' ' TRP . 9.8 mt -64.02 -36.71 84.88 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 115.928 -0.578 . . . . 10.0 109.446 178.404 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 233' ' ' GLU . . . . . 0.418 ' O ' ' HB2' ' A' ' 237' ' ' GLU . 14.9 mm-40 -65.89 -28.65 69.11 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-N 115.776 -0.647 . . . . 10.0 110.49 178.636 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 234' ' ' LYS . . . . . 0.942 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 57.3 mttt -74.86 -43.78 52.61 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.798 -0.816 . . . . 10.0 108.798 178.05 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -63.14 -45.48 91.73 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.838 -0.619 . . . . 10.0 109.986 178.683 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 6.5 p -66.72 -35.43 80.1 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.096 -0.502 . . . . 10.0 109.658 178.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 237' ' ' GLU . . . . . 0.418 ' HB2' ' O ' ' A' ' 233' ' ' GLU . 29.6 tt0 -61.02 -46.11 92.06 Favored 'General case' 0 C--O 1.231 0.081 0 N-CA-C 108.522 -0.918 . . . . 10.0 108.522 177.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -59.51 -46.53 93.79 Favored Glycine 0 N--CA 1.444 -0.827 0 N-CA-C 110.562 -1.015 . . . . 10.0 110.562 177.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 239' ' ' LEU . . . . . 0.419 ' HA ' HD23 ' A' ' 239' ' ' LEU . 17.5 mt -63.38 -33.21 75.03 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-O 120.515 0.198 . . . . 10.0 110.993 178.829 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 240' ' ' ARG . . . . . 0.403 ' HD2' ' HA ' ' A' ' 237' ' ' GLU . 57.5 mtt180 -67.32 -41.25 85.61 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.327 -0.62 . . . . 10.0 109.327 178.494 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -70.4 -41.63 72.73 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-N 115.711 -0.677 . . . . 10.0 109.648 178.767 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -67.89 -24.85 65.27 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-N 115.773 -0.649 . . . . 10.0 109.997 179.031 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 243' ' ' MET . . . . . 0.405 ' HG3' HD12 ' A' ' 247' ' ' LEU . 59.7 ttm -63.42 -30.84 71.9 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.54 -0.541 . . . . 10.0 109.54 178.567 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 3.6 m -76.91 5.64 7.56 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.553 -0.748 . . . . 10.0 110.742 179.114 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 245' ' ' LYS . . . . . 0.487 ' O ' ' HB2' ' A' ' 249' ' ' GLU . 36.0 mttm -130.54 -50.16 1.07 Allowed 'General case' 0 C--O 1.224 -0.246 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.104 179.022 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 246' ' ' ASP . . . . . 0.443 ' O ' ' HB ' ' A' ' 250' ' ' VAL . 0.3 OUTLIER -59.18 -59.34 5.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.665 179.605 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 247' ' ' LEU . . . . . 0.433 ' O ' HG12 ' A' ' 250' ' ' VAL . 20.5 mt -74.49 -35.63 63.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.462 -179.69 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -63.79 -55.48 22.76 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.621 -0.263 . . . . 10.0 111.457 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 249' ' ' GLU . . . . . 0.487 ' HB2' ' O ' ' A' ' 245' ' ' LYS . 0.7 OUTLIER -65.04 -37.65 88.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.723 -0.217 . . . . 10.0 111.012 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 250' ' ' VAL . . . . . 0.851 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 0.7 OUTLIER -63.51 -32.17 55.7 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.636 0 C-N-CA 120.531 -0.468 . . . . 10.0 111.08 179.798 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 251' ' ' LYS . . . . . 0.426 ' O ' HG12 ' A' ' 254' ' ' VAL . 95.4 mttt -85.86 -35.83 20.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.158 0.504 . . . . 10.0 111.078 179.463 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -70.58 -35.71 73.19 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.15 0.5 . . . . 10.0 110.246 179.374 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 31.3 mtpt -91.39 -20.89 21.32 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.016 -0.538 . . . . 10.0 111.802 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 254' ' ' VAL . . . . . 0.851 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 1.9 p -63.36 -26.2 40.25 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 C-N-CA 120.61 -0.436 . . . . 10.0 110.816 179.714 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 255' ' ' GLN . . . . . 0.5 ' HB2' ' CD ' ' A' ' 256' ' ' PRO . 46.1 mt-30 -63.87 -62.89 4.55 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.29 -0.413 . . . . 10.0 110.332 179.048 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 256' ' ' PRO . . . . . 0.5 ' CD ' ' HB2' ' A' ' 255' ' ' GLN . 18.4 Cg_endo -62.67 -30.25 78.5 Favored 'Trans proline' 0 C--N 1.359 1.117 0 C-N-CA 121.833 1.689 . . . . 10.0 111.322 178.062 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 5.5 m-30 -65.5 -56.57 11.67 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.102 0.477 . . . . 10.0 109.901 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 258' ' ' LEU . . . . . 0.516 ' HG ' HG22 ' A' ' 254' ' ' VAL . 40.1 mt -64.57 -38.58 91.51 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.746 -0.661 . . . . 10.0 111.019 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -61.42 -40.61 95.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.972 0.415 . . . . 10.0 110.407 179.153 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -67.13 -48.42 68.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.898 -0.592 . . . . 10.0 109.955 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -64.84 -45.98 83.85 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.952 -0.567 . . . . 10.0 111.17 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -59.26 -46.06 89.52 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.415 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 263' ' ' LYS . . . . . 0.599 ' O ' ' HG3' ' A' ' 267' ' ' GLU . 0.3 OUTLIER -61.66 -50.62 71.78 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.977 -0.556 . . . . 10.0 110.224 179.736 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 264' ' ' LYS . . . . . 0.842 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 67.0 mttt -62.21 -40.56 96.53 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.306 -0.406 . . . . 10.0 111.252 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 5.5 m95 -65.67 -35.75 81.67 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.906 -0.405 . . . . 10.0 109.906 178.757 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -65.06 -42.51 94.12 Favored 'General case' 0 CA--C 1.519 -0.223 0 N-CA-C 108.194 -1.039 . . . . 10.0 108.194 178.028 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 267' ' ' GLU . . . . . 0.599 ' HG3' ' O ' ' A' ' 263' ' ' LYS . 49.9 mt-10 -62.21 -43.29 99.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.618 -0.719 . . . . 10.0 109.263 178.059 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 268' ' ' GLU . . . . . 0.5 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 18.5 mt-10 -61.64 -42.19 98.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.529 -0.759 . . . . 10.0 110.065 179.333 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 90.2 mmm -65.67 -41.56 92.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.619 -0.719 . . . . 10.0 109.921 178.766 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -58.95 -48.52 81.22 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.34 0.591 . . . . 10.0 109.564 178.637 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 271' ' ' LEU . . . . . 0.428 ' O ' ' HB2' ' A' ' 275' ' ' LYS . 73.6 mt -61.86 -44.22 97.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.251 -0.886 . . . . 10.0 110.742 179.623 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -65.38 -38.22 89.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.178 -0.465 . . . . 10.0 111.019 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 43.8 mtt180 -69.85 -44.53 69.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.438 -0.346 . . . . 10.0 110.467 179.512 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -68.78 -15.87 63.63 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.686 179.024 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 275' ' ' LYS . . . . . 0.728 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 12.4 mptt -92.82 -46.64 7.44 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.014 -0.539 . . . . 10.0 110.313 179.193 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 3.0 p -54.08 -31.42 21.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 113.164 0.802 . . . . 10.0 113.164 -178.629 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -64.47 -64.06 3.14 Favored Pre-proline 0 CA--C 1.535 0.37 0 N-CA-C 111.732 0.271 . . . . 10.0 111.732 179.56 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -63.86 -36.55 49.86 Favored 'Trans proline' 0 C--N 1.355 0.884 0 C-N-CA 121.762 1.641 . . . . 10.0 111.98 178.533 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 279' ' ' LEU . . . . . 0.728 ' HG ' ' O ' ' A' ' 275' ' ' LYS . 22.1 mt -61.33 -40.66 95.04 Favored 'General case' 0 CA--C 1.521 -0.169 0 C-N-CA 121.187 -0.205 . . . . 10.0 110.672 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 30.2 mtt180 -68.34 -30.95 70.03 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.466 -0.333 . . . . 10.0 110.288 179.092 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -66.2 -45.94 79.03 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.06 -0.719 . . . . 10.0 109.06 178.451 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -62.87 -44.47 96.03 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.402 -0.817 . . . . 10.0 109.206 178.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 10.2 mt -62.68 -44.93 95.0 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.796 179.36 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -63.35 -51.69 64.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.535 -0.302 . . . . 10.0 111.172 -179.655 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -65.35 -40.4 93.56 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 121.012 -0.275 . . . . 10.0 111.158 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -63.16 -47.83 84.93 Favored Glycine 0 N--CA 1.446 -0.663 0 N-CA-C 110.483 -1.047 . . . . 10.0 110.483 178.555 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -64.46 -35.14 79.96 Favored 'General case' 0 C--O 1.22 -0.45 0 N-CA-C 110.056 -0.35 . . . . 10.0 110.056 179.001 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 57.6 mtt180 -57.43 -48.63 78.63 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 116.387 -0.37 . . . . 10.0 110.119 179.252 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -65.79 -46.59 78.14 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.249 179.322 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 69.4 mttt -60.39 -40.43 90.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.27 -0.423 . . . . 10.0 111.12 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 28.3 mt -68.37 -42.65 78.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.223 178.539 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -64.89 -40.56 95.28 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.783 -0.451 . . . . 10.0 109.783 178.769 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -62.02 -37.2 84.01 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.542 -0.91 . . . . 10.0 108.542 178.218 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 294' ' ' LEU . . . . . 0.411 ' O ' ' HG ' ' A' ' 298' ' ' LEU . 3.5 mt -69.11 -49.41 57.3 Favored 'General case' 0 C--O 1.221 -0.418 0 CA-C-N 115.088 -0.96 . . . . 10.0 109.724 178.645 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -59.19 -37.45 77.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.839 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -67.32 -9.34 40.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.003 -0.544 . . . . 10.0 111.166 179.218 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 297' ' ' LYS . . . . . 0.447 ' HD3' ' HA ' ' A' ' 297' ' ' LYS . 29.4 mmtp -113.47 -39.93 3.97 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.426 178.669 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 298' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 294' ' ' LEU . 96.5 mt -58.25 -30.26 66.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.225 -0.443 . . . . 10.0 111.224 179.686 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 299' ' ' SER . . . . . 0.49 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 2.7 m -75.42 -63.87 0.64 Allowed Pre-proline 0 CA--C 1.537 0.453 0 CA-C-N 116.197 -0.456 . . . . 10.0 111.906 179.338 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 300' ' ' PRO . . . . . 0.49 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 28.6 Cg_endo -63.3 -46.05 10.69 Favored 'Trans proline' 0 C--N 1.36 1.133 0 C-N-CA 121.791 1.66 . . . . 10.0 112.581 -179.705 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 301' ' ' LEU . . . . . 0.714 HD22 ' HG2' ' D' ' 473' ' ' LYS . 73.1 mt -69.04 -27.66 65.86 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 109.965 -0.383 . . . . 10.0 109.965 179.583 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -69.32 -49.12 41.04 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 109.573 -1.411 . . . . 10.0 109.573 178.491 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -60.59 -44.3 96.39 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 109.116 -0.698 . . . . 10.0 109.116 178.411 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -60.6 -41.93 95.76 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.438 -0.801 . . . . 10.0 109.868 178.475 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 10.6 tpt -63.16 -44.27 95.96 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 116.172 -0.467 . . . . 10.0 109.952 179.274 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 58.0 mtt180 -63.99 -45.21 90.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.28 179.321 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 307' ' ' ASP . . . . . 0.894 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 19.6 t70 -64.37 -39.53 94.05 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.993 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 308' ' ' ARG . . . . . 0.491 ' HG3' HD21 ' D' ' 469' ' ' LEU . 24.6 mmt180 -72.32 -34.81 68.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 10.0 109.802 178.562 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 309' ' ' ALA . . . . . 0.517 ' HA ' ' HB2' ' A' ' 312' ' ' HIS . . . -64.28 -32.49 74.1 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 109.251 -0.648 . . . . 10.0 109.251 178.548 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 310' ' ' ARG . . . . . 0.894 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 79.3 mtt180 -58.88 -52.53 65.33 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 109.096 -0.705 . . . . 10.0 109.096 178.472 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -67.81 -36.93 81.29 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.125 179.321 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 312' ' ' HIS . . . . . 0.517 ' HB2' ' HA ' ' A' ' 309' ' ' ALA . 0.1 OUTLIER -53.53 -53.44 51.5 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.761 -0.654 . . . . 10.0 110.074 178.967 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 32.7 t -78.51 -32.78 16.59 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 CA-C-N 115.471 -0.786 . . . . 10.0 111.597 -179.239 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -57.62 -48.07 80.44 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-O 120.752 0.311 . . . . 10.0 111.207 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -63.62 -41.12 98.31 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.203 179.135 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 21.1 mt -66.12 -48.96 69.13 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.406 179.318 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 19.9 ttm105 -59.3 -47.92 83.59 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.827 -179.573 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 18.2 m -67.13 -20.45 65.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.989 -0.55 . . . . 10.0 111.069 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -89.81 -33.21 16.6 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.961 0.41 . . . . 10.0 110.204 178.479 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 73.9 mt -69.82 -33.72 72.71 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.982 -0.554 . . . . 10.0 111.462 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -53.63 -58.52 12.68 Favored Pre-proline 0 CA--C 1.538 0.507 0 N-CA-C 112.578 0.584 . . . . 10.0 112.578 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -72.28 -33.25 9.37 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 121.526 1.484 . . . . 10.0 111.662 179.132 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 8.2 m-30 -63.33 -42.56 98.97 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 116.484 -0.326 . . . . 10.0 110.967 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 324' ' ' SER . . . . . 0.458 ' O ' ' HG3' ' A' ' 328' ' ' ARG . 29.2 p -69.24 -31.45 70.01 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.999 -0.371 . . . . 10.0 109.999 179.339 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -66.85 -45.65 77.5 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.069 -0.715 . . . . 10.0 109.069 178.378 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 326' ' ' GLU . . . . . 0.425 ' O ' ' HG3' ' A' ' 330' ' ' ARG . 57.8 mt-10 -65.6 -34.82 79.11 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.611 -0.885 . . . . 10.0 108.611 177.517 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 327' ' ' LEU . . . . . 0.445 ' O ' ' HG ' ' A' ' 331' ' ' LEU . 0.6 OUTLIER -61.64 -38.07 86.35 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.714 -0.675 . . . . 10.0 109.45 178.498 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 328' ' ' ARG . . . . . 0.458 ' HG3' ' O ' ' A' ' 324' ' ' SER . 49.4 mtt180 -62.39 -41.93 99.03 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 109.351 -0.611 . . . . 10.0 109.351 178.271 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -66.32 -39.14 89.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.783 -0.644 . . . . 10.0 109.309 178.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 330' ' ' ARG . . . . . 0.909 HH21 ' HB3' ' D' ' 447' ' ' GLU . 18.1 mtt180 -63.76 -47.48 80.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.558 -0.746 . . . . 10.0 109.59 178.706 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 331' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 327' ' ' LEU . 93.0 mt -62.34 -42.44 99.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.751 -0.658 . . . . 10.0 110.154 179.266 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -61.2 -51.71 67.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.505 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -60.29 -45.93 91.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.645 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 43.5 mtt-85 -61.45 -47.46 85.62 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.674 179.241 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 55.1 mt -64.27 -41.46 96.91 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.101 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -63.27 -45.89 89.4 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.321 -0.252 . . . . 10.0 110.321 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -64.07 -39.11 93.36 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.404 -0.591 . . . . 10.0 109.404 178.649 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 1.9 mt -67.1 -31.28 71.64 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.808 179.275 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -79.73 -38.93 32.26 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.754 0.311 . . . . 10.0 110.316 178.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -67.51 -54.44 20.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.055 0.455 . . . . 10.0 109.82 179.115 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -68.93 -39.26 79.7 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.021 -0.536 . . . . 10.0 109.971 179.322 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -60.86 -41.19 99.14 Favored Glycine 0 N--CA 1.449 -0.49 0 CA-C-N 115.83 -0.623 . . . . 10.0 111.625 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -60.76 -39.42 96.7 Favored Glycine 0 N--CA 1.451 -0.34 0 N-CA-C 110.876 -0.889 . . . . 10.0 110.876 178.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -69.81 -41.27 75.24 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.734 -0.469 . . . . 10.0 109.734 178.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 39.8 mtm180 -64.44 -39.91 94.74 Favored 'General case' 0 C--O 1.227 -0.126 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.173 178.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 30.6 mt -64.12 -46.3 84.76 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 116.143 -0.48 . . . . 10.0 109.792 178.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.93 -41.02 90.85 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.352 -0.61 . . . . 10.0 109.352 179.128 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 348' ' ' GLU . . . . . 0.437 ' OE1' ' HB2' ' D' ' 429' ' ' ASN . 34.4 mt-10 -67.33 -45.09 77.47 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.466 -0.788 . . . . 10.0 109.892 178.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 349' ' ' TYR . . . . . 0.417 ' HD1' ' HA ' ' A' ' 349' ' ' TYR . 1.3 m-30 -59.86 -42.08 92.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.271 -0.422 . . . . 10.0 111.351 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 54.1 m-70 -63.56 -45.33 90.99 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.871 -0.418 . . . . 10.0 109.871 178.699 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -63.75 -48.83 75.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.21 179.17 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 352' ' ' LYS . . . . . 0.409 ' HE2' ' HB3' ' A' ' 348' ' ' GLU . 12.6 mtmm -59.94 -39.06 84.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.369 179.163 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 353' ' ' ALA . . . . . 0.475 ' O ' ' HG ' ' A' ' 357' ' ' LEU . . . -60.95 -43.71 98.3 Favored 'General case' 0 CA--C 1.519 -0.213 0 N-CA-C 109.579 -0.526 . . . . 10.0 109.579 178.679 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 39.2 m -64.99 -38.36 90.72 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.303 -0.629 . . . . 10.0 109.303 178.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -63.55 -43.97 95.53 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.1 -0.5 . . . . 10.0 109.746 178.595 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -64.72 -37.0 86.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.788 -0.642 . . . . 10.0 109.389 178.578 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 357' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 353' ' ' ALA . 84.4 mt -68.36 -33.56 74.49 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.437 179.141 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 49.7 m -61.21 -42.05 97.93 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.26 0.552 . . . . 10.0 109.972 178.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -79.85 -30.52 40.37 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.043 178.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 65.3 tp -65.07 -29.38 70.26 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 109.115 -0.698 . . . . 10.0 109.115 178.469 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 361' ' ' SER . . . . . 0.467 ' O ' ' HG3' ' A' ' 365' ' ' LYS . 34.8 m -62.6 -33.34 74.79 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.93 -0.577 . . . . 10.0 109.817 178.733 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -68.98 -22.9 64.07 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.006 178.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 363' ' ' LYS . . . . . 0.772 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 74.5 mttt -94.51 -23.79 17.55 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.752 -0.658 . . . . 10.0 109.985 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -80.63 -36.43 32.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.742 -0.663 . . . . 10.0 112.166 -179.253 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 365' ' ' LYS . . . . . 0.613 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 1.6 mttt -109.88 -69.67 0.03 OUTLIER Pre-proline 0 CA--C 1.536 0.429 0 N-CA-C 112.984 0.735 . . . . 10.0 112.984 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 366' ' ' PRO . . . . . 0.613 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 52.7 Cg_exo -55.12 -63.98 0.17 Allowed 'Trans proline' 0 C--N 1.356 0.924 0 C-N-CA 122.595 2.196 . . . . 10.0 113.482 -179.045 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 367' ' ' ALA . . . . . 0.772 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -56.12 -47.13 78.7 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.995 0.368 . . . . 10.0 111.995 -179.308 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 1.5 mt -62.86 -42.53 99.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.559 -0.291 . . . . 10.0 111.478 -179.616 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -63.97 -45.79 87.53 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.991 -0.374 . . . . 10.0 109.991 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -60.66 -42.46 97.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.064 -0.516 . . . . 10.0 109.684 179.59 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 45.6 mt -62.61 -46.09 89.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.706 -0.679 . . . . 10.0 110.218 178.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -61.12 -46.83 88.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 10.0 110.65 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -61.88 -30.4 70.84 Favored 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 115.92 -0.582 . . . . 10.0 111.11 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -84.56 -31.7 23.88 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.756 -0.735 . . . . 10.0 111.661 179.152 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 28.3 mt -71.14 -33.7 70.32 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 111.796 0.295 . . . . 10.0 111.796 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 48.8 mt -51.83 -58.32 11.58 Favored Pre-proline 0 CA--C 1.534 0.344 0 N-CA-C 112.55 0.574 . . . . 10.0 112.55 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_endo -64.26 -31.8 62.94 Favored 'Trans proline' 0 C--N 1.354 0.843 0 C-N-CA 121.888 1.725 . . . . 10.0 111.317 178.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 47.1 t -64.57 -43.89 96.79 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.097 0 N-CA-C 109.409 -0.589 . . . . 10.0 109.409 178.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 379' ' ' LEU . . . . . 0.459 ' O ' ' HG3' ' A' ' 383' ' ' LYS . 96.6 mt -68.61 -30.65 69.43 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.452 -0.573 . . . . 10.0 109.452 178.514 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 380' ' ' GLU . . . . . 0.408 ' O ' HG23 ' A' ' 384' ' ' VAL . 34.7 tt0 -64.77 -50.59 66.22 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.21 -0.663 . . . . 10.0 109.21 179.003 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 1.4 p -65.18 -30.0 70.87 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 109.354 -0.61 . . . . 10.0 109.354 178.673 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 382' ' ' PHE . . . . . 0.489 ' O ' ' HB2' ' A' ' 386' ' ' PHE . 0.2 OUTLIER -64.77 -44.13 91.04 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 115.687 -0.688 . . . . 10.0 109.324 178.262 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 383' ' ' LYS . . . . . 0.459 ' HG3' ' O ' ' A' ' 379' ' ' LEU . 83.0 mttt -62.76 -45.14 94.08 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.362 -0.607 . . . . 10.0 109.362 178.641 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 384' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 380' ' ' GLU . 87.4 t -57.9 -49.19 81.95 Favored 'Isoleucine or valine' 0 C--O 1.232 0.152 0 CA-C-N 115.509 -0.769 . . . . 10.0 111.045 179.658 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 5.2 p -70.75 -38.0 73.47 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 111.964 0.357 . . . . 10.0 111.964 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 386' ' ' PHE . . . . . 0.489 ' HB2' ' O ' ' A' ' 382' ' ' PHE . 0.3 OUTLIER -62.92 -49.6 74.16 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.828 0.347 . . . . 10.0 110.566 179.591 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 387' ' ' LEU . . . . . 0.473 ' O ' ' HG3' ' A' ' 391' ' ' GLU . 81.3 mt -60.29 -42.15 94.84 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.012 -0.54 . . . . 10.0 111.796 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 388' ' ' SER . . . . . 0.461 ' HB2' ' HE2' ' D' ' 594' ' ' LYS . 3.5 p -70.49 -36.48 73.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.719 0.295 . . . . 10.0 110.784 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -66.49 -38.07 86.47 Favored 'General case' 0 CA--C 1.522 -0.13 0 N-CA-C 109.905 -0.406 . . . . 10.0 109.905 178.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 390' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 386' ' ' PHE . 86.6 mt -60.86 -38.73 86.55 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.766 -0.652 . . . . 10.0 109.823 178.811 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 391' ' ' GLU . . . . . 0.473 ' HG3' ' O ' ' A' ' 387' ' ' LEU . 53.3 mt-10 -68.67 -37.88 79.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.839 -0.619 . . . . 10.0 109.506 178.796 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -60.13 -46.13 90.69 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.329 179.041 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -61.7 -48.33 81.25 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.153 178.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 27.4 m -56.88 -45.4 82.58 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.959 -0.564 . . . . 10.0 112.074 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -63.28 -30.47 71.61 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.762 0.653 . . . . 10.0 112.762 -178.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 396' ' ' LYS . . . . . 0.563 ' HZ3' ' HA ' ' D' ' 587' ' ' ALA . 1.6 mptt -106.28 11.4 31.13 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 113.096 0.776 . . . . 10.0 113.096 -178.736 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 19.8 mt -127.75 -20.03 3.99 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.654 0.264 . . . . 10.0 111.414 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 . . . . . 0 C--N 1.326 -0.443 0 CA-C-N 116.438 -0.346 . . . . 10.0 110.875 -179.406 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 2.5 mm? . . . . . 0 CA--C 1.52 -0.187 0 CA-C-O 121.295 0.569 . . . . 10.0 110.434 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -85.34 6.37 26.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.765 -0.652 . . . . 10.0 111.154 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 43.2 mt -61.36 -37.63 84.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.715 -0.675 . . . . 10.0 110.988 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 96.7 mt -64.06 -43.37 95.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.788 -0.642 . . . . 10.0 111.068 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.94 -37.78 82.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.162 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 404' ' ' ASN . . . . . 0.445 ' O ' HG23 ' D' ' 408' ' ' VAL . 27.1 t-20 -64.46 -48.01 76.89 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.123 -0.489 . . . . 10.0 110.559 179.387 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 11.8 m95 -63.02 -26.46 68.86 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.91 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -63.7 -48.48 76.94 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 109.434 -0.58 . . . . 10.0 109.434 178.759 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 7.1 m -60.82 -34.97 75.34 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.067 178.679 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 408' ' ' VAL . . . . . 0.445 HG23 ' O ' ' D' ' 404' ' ' ASN . 53.5 t -68.14 -39.88 82.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 N-CA-C 109.414 -0.587 . . . . 10.0 109.414 179.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 28.3 m -66.13 -40.84 90.97 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.729 -0.668 . . . . 10.0 109.727 179.177 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 14.6 m -61.07 -47.19 87.49 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.485 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.39 -33.46 75.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.339 -0.391 . . . . 10.0 110.963 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -65.24 -39.03 92.15 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 108.848 -0.797 . . . . 10.0 108.848 177.733 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 413' ' ' SER . . . . . 0.493 ' O ' ' HG3' ' D' ' 417' ' ' GLU . 33.1 m -66.95 -44.12 81.41 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.411 -0.813 . . . . 10.0 108.885 178.219 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 53.0 mmtt -62.19 -31.34 71.85 Favored 'General case' 0 C--O 1.226 -0.148 0 CA-C-N 115.97 -0.559 . . . . 10.0 109.994 178.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 14.8 tp -64.78 -45.32 86.8 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.118 -0.697 . . . . 10.0 109.118 178.597 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 62.0 mtt85 -68.76 -34.44 75.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.737 -0.665 . . . . 10.0 110.727 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 417' ' ' GLU . . . . . 0.493 ' HG3' ' O ' ' D' ' 413' ' ' SER . 35.1 mt-10 -65.57 -21.67 66.62 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 116.0 -0.546 . . . . 10.0 109.918 178.643 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -89.17 -51.18 5.72 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 108.708 -0.849 . . . . 10.0 108.708 177.644 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 67.1 mt -47.58 -50.53 23.76 Favored 'General case' 0 C--O 1.226 -0.143 0 CA-C-N 115.09 -0.959 . . . . 10.0 112.452 -179.446 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -47.5 -74.49 0.24 Allowed Glycine 0 CA--C 1.525 0.685 0 O-C-N 123.368 0.418 . . . . 10.0 113.669 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -60.38 -39.71 64.44 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.802 2.335 . . . . 10.0 112.767 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 37.6 t -60.75 -48.8 87.2 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.229 0 N-CA-C 112.126 0.417 . . . . 10.0 112.126 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 32.6 p -64.43 -33.75 76.59 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-O 120.775 0.321 . . . . 10.0 110.845 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -62.95 -51.17 67.91 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.623 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -73.67 -25.17 60.13 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.578 -0.449 . . . . 10.0 110.084 178.75 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 426' ' ' PHE . . . . . 0.519 ' O ' ' HG ' ' D' ' 430' ' ' LEU . 30.1 t80 -67.27 -34.89 78.38 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.345 -0.983 . . . . 10.0 108.345 177.831 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 427' ' ' TRP . . . . . 0.438 ' O ' ' HG3' ' D' ' 431' ' ' GLU . 7.5 m95 -61.83 -48.27 81.34 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.71 -0.848 . . . . 10.0 108.71 178.121 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -62.41 -35.85 80.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.547 -0.751 . . . . 10.0 110.129 178.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 429' ' ' ASN . . . . . 0.437 ' HB2' ' OE1' ' A' ' 348' ' ' GLU . 4.9 t30 -63.79 -45.52 89.31 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.733 -0.667 . . . . 10.0 109.22 178.016 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 430' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' D' ' 426' ' ' PHE . 88.7 mt -63.31 -41.09 98.9 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.664 -0.698 . . . . 10.0 109.61 178.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 431' ' ' GLU . . . . . 0.438 ' HG3' ' O ' ' D' ' 427' ' ' TRP . 11.7 mt-10 -63.77 -39.56 94.55 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.2 178.774 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -62.11 -40.61 96.48 Favored 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 109.181 -0.674 . . . . 10.0 109.181 178.26 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -66.73 -50.01 64.17 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.332 -0.849 . . . . 10.0 110.705 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 2.9 p -61.53 -47.99 83.04 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.967 -0.293 . . . . 10.0 111.32 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -64.73 -45.33 86.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.682 0.277 . . . . 10.0 111.223 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -63.46 -46.22 93.05 Favored Glycine 0 N--CA 1.448 -0.553 0 N-CA-C 111.385 -0.686 . . . . 10.0 111.385 179.273 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 437' ' ' LEU . . . . . 0.624 ' O ' ' HB2' ' D' ' 441' ' ' MET . 85.6 mt -66.3 -29.81 70.09 Favored 'General case' 0 C--O 1.218 -0.557 0 N-CA-C 110.618 -0.141 . . . . 10.0 110.618 179.204 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 31.5 mtt180 -64.75 -30.91 71.93 Favored 'General case' 0 CA--C 1.522 -0.129 0 O-C-N 123.012 0.195 . . . . 10.0 110.621 179.203 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -62.92 -46.74 86.39 Favored 'General case' 0 N--CA 1.457 -0.114 0 CA-C-N 116.143 -0.48 . . . . 10.0 110.246 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -82.72 -26.21 32.18 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.903 178.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 441' ' ' MET . . . . . 0.624 ' HB2' ' O ' ' D' ' 437' ' ' LEU . 0.0 OUTLIER -63.13 -48.03 80.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.421 -0.354 . . . . 10.0 111.019 -179.626 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 2.9 p -61.84 -44.22 97.27 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 109.54 -0.541 . . . . 10.0 109.54 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 443' ' ' LYS . . . . . 0.403 ' O ' ' HB2' ' D' ' 447' ' ' GLU . 28.7 mtpp -62.56 -42.01 99.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.584 -0.735 . . . . 10.0 110.02 178.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 444' ' ' ASP . . . . . 0.64 ' O ' ' HB ' ' D' ' 448' ' ' VAL . 4.1 t0 -63.55 -49.17 74.5 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.196 -0.456 . . . . 10.0 110.95 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 445' ' ' LEU . . . . . 0.501 ' O ' HG12 ' D' ' 448' ' ' VAL . 54.3 mt -65.53 -51.64 58.43 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.26 0.467 . . . . 10.0 112.26 -179.509 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -63.42 -44.51 94.39 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 111.945 0.35 . . . . 10.0 111.945 -179.248 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 447' ' ' GLU . . . . . 0.909 ' HB3' HH21 ' A' ' 330' ' ' ARG . 11.6 tt0 -71.57 -28.9 64.15 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.93 -0.308 . . . . 10.0 110.975 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 448' ' ' VAL . . . . . 0.64 ' HB ' ' O ' ' D' ' 444' ' ' ASP . 0.3 OUTLIER -69.23 -30.14 45.05 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 CA-C-O 121.074 0.464 . . . . 10.0 110.215 179.418 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -65.83 -35.47 80.78 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.236 -1.024 . . . . 10.0 108.236 177.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -92.02 19.23 6.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.074 -0.966 . . . . 10.0 110.006 179.164 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 451' ' ' LYS . . . . . 0.587 ' O ' ' HB2' ' D' ' 455' ' ' TYR . 51.8 mttm -126.79 -51.41 1.46 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.612 -0.722 . . . . 10.0 110.12 179.583 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 452' ' ' VAL . . . . . 0.503 HG23 HG22 ' D' ' 448' ' ' VAL . 62.9 t -69.37 -48.47 67.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 10.0 111.037 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -51.29 -58.88 9.08 Favored Pre-proline 0 CA--C 1.537 0.444 0 N-CA-C 111.914 0.338 . . . . 10.0 111.914 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -63.4 -26.8 70.84 Favored 'Trans proline' 0 C--N 1.357 1.007 0 C-N-CA 121.935 1.757 . . . . 10.0 112.027 179.149 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 455' ' ' TYR . . . . . 0.587 ' HB2' ' O ' ' D' ' 451' ' ' LYS . 0.0 OUTLIER -75.94 -31.37 59.06 Favored 'General case' 0 CA--C 1.519 -0.236 0 N-CA-C 109.773 -0.454 . . . . 10.0 109.773 179.093 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 456' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' D' ' 452' ' ' VAL . 84.6 mt -63.57 -38.19 90.2 Favored 'General case' 0 CA--C 1.514 -0.412 0 N-CA-C 108.27 -1.011 . . . . 10.0 108.27 177.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -69.3 -43.49 73.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.182 -0.917 . . . . 10.0 109.133 178.224 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -60.44 -41.68 94.55 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 115.641 -0.709 . . . . 10.0 109.885 178.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -71.33 -40.73 70.57 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.444 -0.798 . . . . 10.0 110.053 178.65 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -58.06 -40.05 80.0 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.423 179.255 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 461' ' ' LYS . . . . . 0.457 ' O ' ' HG3' ' D' ' 465' ' ' GLU . 52.2 mttt -59.64 -50.18 74.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.037 -0.528 . . . . 10.0 109.896 178.765 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 26.3 mtmm -67.24 -36.01 80.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.82 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 8.5 m0 -65.0 -40.55 95.12 Favored 'General case' 0 CA--C 1.515 -0.394 0 N-CA-C 109.349 -0.612 . . . . 10.0 109.349 178.388 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -68.98 -40.32 78.87 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.72 -0.673 . . . . 10.0 109.25 178.287 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 465' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' D' ' 461' ' ' LYS . 42.7 mt-10 -57.44 -52.01 67.1 Favored 'General case' 0 C--O 1.222 -0.382 0 N-CA-C 108.577 -0.898 . . . . 10.0 108.577 177.811 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 466' ' ' GLU . . . . . 0.418 ' HG3' ' CZ ' ' D' ' 470' ' ' TYR . 1.7 tp10 -60.95 -45.36 95.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.703 -0.68 . . . . 10.0 110.747 179.602 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 40.3 ttm -58.29 -49.7 76.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.429 -0.35 . . . . 10.0 110.526 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -66.25 -37.95 86.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.475 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 469' ' ' LEU . . . . . 0.554 HD22 ' HE3' ' D' ' 473' ' ' LYS . 54.7 mt -62.9 -43.89 97.58 Favored 'General case' 0 C--O 1.222 -0.343 0 O-C-N 123.574 0.546 . . . . 10.0 110.282 178.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 470' ' ' TYR . . . . . 0.418 ' CZ ' ' HG3' ' D' ' 466' ' ' GLU . 19.2 m-30 -61.33 -32.06 71.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.073 0.463 . . . . 10.0 110.441 179.222 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 471' ' ' ARG . . . . . 0.879 ' HA ' ' HG3' ' D' ' 475' ' ' GLU . 91.5 mtt180 -72.82 -23.78 60.82 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.434 179.212 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -104.67 -0.23 27.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.128 0.49 . . . . 10.0 111.397 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 473' ' ' LYS . . . . . 0.714 ' HG2' HD22 ' A' ' 301' ' ' LEU . 97.8 mttt -125.62 -73.53 0.63 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.906 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 58.1 t -53.69 -45.31 60.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 N-CA-C 112.367 0.506 . . . . 10.0 112.367 -178.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 475' ' ' GLU . . . . . 0.879 ' HG3' ' HA ' ' D' ' 471' ' ' ARG . 3.3 mt-10 -58.54 -61.09 8.33 Favored Pre-proline 0 CA--C 1.535 0.397 0 N-CA-C 112.575 0.583 . . . . 10.0 112.575 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -61.69 -33.96 84.83 Favored 'Trans proline' 0 C--N 1.353 0.806 0 C-N-CA 121.708 1.605 . . . . 10.0 111.154 178.124 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 20.2 mt -63.46 -36.85 85.11 Favored 'General case' 0 C--O 1.221 -0.403 0 N-CA-C 109.411 -0.588 . . . . 10.0 109.411 178.573 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 478' ' ' ARG . . . . . 0.449 ' O ' ' HB2' ' D' ' 482' ' ' GLN . 29.9 mtt180 -63.85 -28.72 70.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.438 -0.346 . . . . 10.0 110.377 178.826 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -74.06 -46.2 44.65 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 108.627 -0.879 . . . . 10.0 108.627 178.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.42 -40.96 96.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.85 -0.614 . . . . 10.0 109.426 178.302 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 53.9 mt -66.74 -29.61 69.62 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 115.693 -0.685 . . . . 10.0 110.115 178.522 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 482' ' ' GLN . . . . . 0.449 ' HB2' ' O ' ' D' ' 478' ' ' ARG . 15.9 tt0 -70.72 -43.27 69.27 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 108.675 -0.861 . . . . 10.0 108.675 178.468 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -64.91 -43.66 92.09 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.566 -0.743 . . . . 10.0 109.122 178.451 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -63.83 -38.84 96.73 Favored Glycine 0 N--CA 1.446 -0.657 0 N-CA-C 110.819 -0.912 . . . . 10.0 110.819 178.698 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -65.57 -44.89 85.33 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 109.438 -0.578 . . . . 10.0 109.438 178.331 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 80.1 mtt180 -57.75 -44.93 86.45 Favored 'General case' 0 CA--C 1.52 -0.205 0 N-CA-C 108.924 -0.769 . . . . 10.0 108.924 178.47 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 487' ' ' GLN . . . . . 0.423 ' O ' ' HG3' ' D' ' 491' ' ' GLU . 8.0 mm100 -62.98 -47.29 83.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.207 -0.906 . . . . 10.0 111.196 179.012 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 29.1 tttt -62.49 -40.0 95.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.006 0.431 . . . . 10.0 110.023 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 84.5 mt -64.23 -37.11 86.3 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 109.325 -0.62 . . . . 10.0 109.325 178.298 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -63.96 -45.66 88.16 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 108.55 -0.907 . . . . 10.0 108.55 178.334 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 491' ' ' GLU . . . . . 0.423 ' HG3' ' O ' ' D' ' 487' ' ' GLN . 51.3 mt-10 -58.98 -41.66 88.13 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 115.779 -0.646 . . . . 10.0 109.289 178.411 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 41.8 mt -67.59 -44.38 78.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.369 -0.832 . . . . 10.0 110.777 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -61.08 -33.84 73.97 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 121.232 0.539 . . . . 10.0 110.273 179.028 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -73.55 0.05 13.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.505 -0.771 . . . . 10.0 111.387 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 495' ' ' LYS . . . . . 0.574 ' O ' ' HB2' ' D' ' 499' ' ' LEU . 30.7 mttp -121.92 -38.64 2.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.874 -0.603 . . . . 10.0 109.392 178.661 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 496' ' ' LEU . . . . . 0.455 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 79.8 mt -60.82 -32.95 72.3 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.975 -0.557 . . . . 10.0 111.78 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 497' ' ' SER . . . . . 0.577 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 6.0 m -76.69 -65.37 0.41 Allowed Pre-proline 0 CA--C 1.54 0.579 0 N-CA-C 112.036 0.384 . . . . 10.0 112.036 179.598 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 498' ' ' PRO . . . . . 0.577 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 33.0 Cg_endo -65.41 -55.2 0.48 Allowed 'Trans proline' 0 C--N 1.354 0.828 0 C-N-CA 121.928 1.752 . . . . 10.0 113.068 -179.344 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 499' ' ' LEU . . . . . 0.574 ' HB2' ' O ' ' D' ' 495' ' ' LYS . 45.2 mt -66.11 -28.4 68.78 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 110.44 -0.208 . . . . 10.0 110.44 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 500' ' ' GLY . . . . . 0.455 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -66.46 -47.54 69.32 Favored Glycine 0 N--CA 1.447 -0.58 0 N-CA-C 109.682 -1.367 . . . . 10.0 109.682 178.084 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -63.29 -39.28 94.15 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 108.842 -0.799 . . . . 10.0 108.842 177.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 502' ' ' GLU . . . . . 0.489 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 34.9 mt-10 -59.79 -48.47 81.55 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 115.63 -0.713 . . . . 10.0 109.353 178.408 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 81.4 mmm -58.95 -38.06 78.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.028 0.442 . . . . 10.0 110.573 179.057 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 504' ' ' ARG . . . . . 0.417 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 61.8 mtt180 -67.51 -44.68 77.84 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 109.47 -0.567 . . . . 10.0 109.47 178.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -65.86 -40.28 91.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.763 179.461 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 506' ' ' ARG . . . . . 0.5 ' HD3' ' OE1' ' A' ' 268' ' ' GLU . 46.0 mtt180 -62.8 -45.43 92.65 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 108.39 -0.967 . . . . 10.0 108.39 178.23 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -60.27 -38.77 84.58 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.821 -0.627 . . . . 10.0 109.506 178.747 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 508' ' ' ARG . . . . . 0.417 ' HG3' ' O ' ' D' ' 504' ' ' ARG . 49.3 mtt180 -61.64 -48.69 79.72 Favored 'General case' 0 C--O 1.218 -0.577 0 N-CA-C 109.21 -0.663 . . . . 10.0 109.21 178.1 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 509' ' ' ALA . . . . . 0.842 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -62.48 -37.44 85.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.3 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 510' ' ' HIS . . . . . 0.572 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 20.2 m-70 -70.41 -52.12 24.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.294 -0.412 . . . . 10.0 110.434 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 511' ' ' VAL . . . . . 0.436 ' O ' ' HG3' ' D' ' 515' ' ' ARG . 77.4 t -63.21 -42.54 96.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.439 -0.346 . . . . 10.0 111.14 179.753 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -61.05 -37.26 82.01 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.638 -0.504 . . . . 10.0 109.638 179.455 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 513' ' ' ALA . . . . . 0.433 ' HB2' ' NZ ' ' A' ' 264' ' ' LYS . . . -66.43 -45.64 79.18 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.631 -0.877 . . . . 10.0 108.631 178.07 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 514' ' ' LEU . . . . . 0.585 ' HA ' ' HB2' ' D' ' 517' ' ' HIS . 89.9 mt -57.99 -27.4 63.45 Favored 'General case' 0 C--O 1.23 0.06 0 CA-C-N 115.915 -0.584 . . . . 10.0 111.184 179.47 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 515' ' ' ARG . . . . . 0.436 ' HG3' ' O ' ' D' ' 511' ' ' VAL . 75.0 mtt180 -63.79 -23.63 67.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.028 0.442 . . . . 10.0 110.067 178.606 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 1.5 m -118.92 -1.17 11.05 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.171 0.51 . . . . 10.0 110.332 179.461 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 517' ' ' HIS . . . . . 0.585 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 36.7 m170 -106.58 -45.2 4.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.09 -0.504 . . . . 10.0 111.624 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 54.0 mt -94.89 -46.03 7.03 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.777 0.288 . . . . 10.0 111.777 -179.397 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 519' ' ' ALA . . . . . 0.719 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -54.31 -58.77 12.31 Favored Pre-proline 0 CA--C 1.537 0.462 0 N-CA-C 112.22 0.452 . . . . 10.0 112.22 -179.681 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 520' ' ' PRO . . . . . 0.719 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 32.4 Cg_exo -63.31 -28.11 72.01 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 121.951 1.767 . . . . 10.0 110.633 178.587 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 521' ' ' TYR . . . . . 0.435 ' HB2' ' O ' ' D' ' 517' ' ' HIS . 40.0 t80 -64.33 -48.18 76.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.975 -0.557 . . . . 10.0 109.958 179.169 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 522' ' ' SER . . . . . 0.491 ' O ' ' HG3' ' D' ' 526' ' ' ARG . 0.3 OUTLIER -64.9 -31.22 72.36 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.598 -0.519 . . . . 10.0 109.598 178.849 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -68.13 -46.18 71.57 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.933 -0.576 . . . . 10.0 109.475 178.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -65.91 -32.74 74.41 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.738 -0.664 . . . . 10.0 109.258 178.123 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 525' ' ' LEU . . . . . 0.497 ' O ' ' HG ' ' D' ' 529' ' ' LEU . 33.8 mt -66.36 -35.97 81.68 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.313 178.641 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 526' ' ' ARG . . . . . 0.491 ' HG3' ' O ' ' D' ' 522' ' ' SER . 77.6 mtt180 -58.74 -35.09 72.15 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.396 -0.366 . . . . 10.0 110.496 179.587 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -66.5 -37.95 86.18 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.103 -0.498 . . . . 10.0 110.184 179.15 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 528' ' ' ARG . . . . . 0.424 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 28.8 mtt180 -74.95 -42.58 57.4 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.311 -0.626 . . . . 10.0 109.311 179.251 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 529' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' D' ' 525' ' ' LEU . 70.8 mt -63.04 -30.99 72.03 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 115.699 -0.682 . . . . 10.0 110.937 179.388 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 530' ' ' ALA . . . . . 0.489 ' O ' ' HB2' ' D' ' 534' ' ' GLU . . . -63.86 -36.68 84.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.145 0.498 . . . . 10.0 109.767 178.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -78.16 -36.87 47.05 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.418 -0.81 . . . . 10.0 109.022 179.089 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -62.82 -51.16 68.13 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.595 -0.73 . . . . 10.0 109.841 178.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 61.6 mt -66.11 -34.18 77.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.795 -0.639 . . . . 10.0 110.265 179.375 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 534' ' ' GLU . . . . . 0.489 ' HB2' ' O ' ' D' ' 530' ' ' ALA . 31.6 tt0 -61.78 -46.94 87.38 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.504 -0.554 . . . . 10.0 109.504 178.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -66.12 -39.82 90.19 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.287 -0.87 . . . . 10.0 109.362 179.203 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 31.9 mt -63.97 -34.45 78.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.221 -0.445 . . . . 10.0 111.352 179.503 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 38.6 mtmt -79.45 -37.92 35.84 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.218 -0.446 . . . . 10.0 111.136 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.06 -53.53 9.79 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.607 0.241 . . . . 10.0 111.055 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -68.49 -32.33 72.23 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.122 -0.695 . . . . 10.0 109.122 179.333 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 540' ' ' GLY . . . . . 0.423 ' O ' ' HG ' ' D' ' 544' ' ' LEU . . . -69.54 -44.94 61.79 Favored Glycine 0 N--CA 1.443 -0.833 0 N-CA-C 110.427 -1.069 . . . . 10.0 110.427 178.44 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -61.75 -42.34 99.74 Favored Glycine 0 N--CA 1.448 -0.505 0 N-CA-C 110.554 -1.019 . . . . 10.0 110.554 178.718 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -62.19 -45.89 91.38 Favored 'General case' 0 N--CA 1.453 -0.275 0 N-CA-C 109.122 -0.696 . . . . 10.0 109.122 178.356 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 543' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' D' ' 543' ' ' ARG . 41.8 mtt180 -64.93 -34.6 78.81 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.287 179.077 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 544' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' D' ' 540' ' ' GLY . 31.3 mt -63.42 -38.58 91.71 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.266 -0.642 . . . . 10.0 109.266 178.853 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -69.58 -41.47 75.76 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 108.863 -0.792 . . . . 10.0 108.863 178.163 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -63.06 -49.1 75.87 Favored 'General case' 0 N--CA 1.461 0.076 0 CA-C-N 115.676 -0.693 . . . . 10.0 109.872 178.732 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -62.67 -38.47 90.45 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.208 179.331 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 20.2 t-80 -66.61 -45.34 79.45 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.698 0.285 . . . . 10.0 110.264 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 549' ' ' ALA . . . . . 0.614 ' O ' ' HG3' ' D' ' 553' ' ' GLU . . . -65.73 -43.86 87.73 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.33 -0.618 . . . . 10.0 109.33 178.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 550' ' ' LYS . . . . . 0.451 ' HB2' ' HE2' ' D' ' 550' ' ' LYS . 2.5 ttmm -65.28 -24.35 67.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.765 -0.652 . . . . 10.0 111.351 179.683 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -67.07 -43.56 82.31 Favored 'General case' 0 CA--C 1.516 -0.355 0 N-CA-C 108.815 -0.809 . . . . 10.0 108.815 178.483 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.48 -33.66 67.14 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.737 -0.665 . . . . 10.0 109.467 178.642 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 553' ' ' GLU . . . . . 0.614 ' HG3' ' O ' ' D' ' 549' ' ' ALA . 38.6 mt-10 -61.03 -51.25 70.01 Favored 'General case' 0 CA--C 1.52 -0.192 0 N-CA-C 108.741 -0.837 . . . . 10.0 108.741 178.135 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -68.32 -27.86 66.66 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.126 -0.943 . . . . 10.0 110.206 179.483 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 54.8 tp -63.77 -42.91 97.7 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.432 -0.581 . . . . 10.0 109.432 178.619 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 7.8 m -66.21 -32.36 73.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.356 -0.838 . . . . 10.0 109.708 178.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 37.7 m -72.78 -39.62 66.6 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.764 -0.653 . . . . 10.0 109.274 178.47 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 50.9 mt -64.35 -48.57 75.02 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 115.626 -0.716 . . . . 10.0 110.52 179.045 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 5.3 p -64.52 -36.51 84.43 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.649 0.261 . . . . 10.0 110.538 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -60.89 -31.36 70.85 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.548 179.199 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.34 26.73 10.37 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.563 179.472 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -120.69 -51.8 2.14 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.829 -0.623 . . . . 10.0 109.655 178.588 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 563' ' ' LYS . . . . . 0.474 ' HB2' ' HD3' ' D' ' 564' ' ' PRO . 94.9 mttt -56.6 -60.69 8.51 Favored Pre-proline 0 CA--C 1.534 0.348 0 CA-C-N 115.76 -0.654 . . . . 10.0 112.226 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 564' ' ' PRO . . . . . 0.474 ' HD3' ' HB2' ' D' ' 563' ' ' LYS . 57.8 Cg_endo -70.83 -26.45 22.54 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 121.483 1.456 . . . . 10.0 111.422 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -64.64 -53.22 51.0 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 116.361 -0.382 . . . . 10.0 110.198 179.528 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 95.6 mt -61.68 -39.33 91.05 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.876 0.37 . . . . 10.0 110.173 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -61.48 -56.29 21.75 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.947 179.301 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -63.88 -43.88 94.72 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.807 -0.633 . . . . 10.0 111.812 -179.194 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 19.5 mt -60.38 -44.17 95.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.403 -0.362 . . . . 10.0 111.102 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 570' ' ' ARG . . . . . 0.431 HH11 ' HD2' ' D' ' 570' ' ' ARG . 56.5 mtt85 -68.31 -42.38 79.49 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.949 -0.301 . . . . 10.0 110.743 179.124 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -64.86 -19.13 65.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.35 -0.387 . . . . 10.0 110.708 179.034 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -95.54 -31.08 7.67 Favored Glycine 0 N--CA 1.447 -0.605 0 N-CA-C 110.721 -0.952 . . . . 10.0 110.721 178.435 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 573' ' ' LEU . . . . . 0.488 ' HA ' HG12 ' D' ' 576' ' ' VAL . 13.8 mt -69.64 -37.12 76.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.362 -0.419 . . . . 10.0 111.06 179.274 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 574' ' ' LEU . . . . . 0.612 ' O ' ' HG2' ' D' ' 578' ' ' GLU . 43.6 mt -55.16 -62.72 3.86 Favored Pre-proline 0 CA--C 1.535 0.382 0 N-CA-C 111.979 0.363 . . . . 10.0 111.979 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 575' ' ' PRO . . . . . 0.442 ' HD3' ' HB2' ' D' ' 574' ' ' LEU . 30.2 Cg_endo -64.12 -34.62 56.9 Favored 'Trans proline' 0 C--N 1.354 0.839 0 C-N-CA 122.003 1.802 . . . . 10.0 112.244 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 576' ' ' VAL . . . . . 0.488 HG12 ' HA ' ' D' ' 573' ' ' LEU . 0.5 OUTLIER -66.02 -38.0 81.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 120.371 -0.532 . . . . 10.0 110.286 179.626 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 577' ' ' LEU . . . . . 0.409 ' O ' ' HG3' ' D' ' 581' ' ' LYS . 34.2 mt -69.92 -36.52 75.4 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 109.834 -0.432 . . . . 10.0 109.834 178.753 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 578' ' ' GLU . . . . . 0.612 ' HG2' ' O ' ' D' ' 574' ' ' LEU . 21.3 mm-40 -61.7 -42.83 99.47 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 108.715 -0.846 . . . . 10.0 108.715 177.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 10.8 m -67.6 -38.22 83.67 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.361 -0.836 . . . . 10.0 110.155 179.017 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 6.6 m-30 -65.14 -40.06 93.89 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-N 115.931 -0.577 . . . . 10.0 109.951 178.689 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 581' ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' D' ' 577' ' ' LEU . 92.8 mttt -57.79 -47.49 82.4 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.334 -0.617 . . . . 10.0 109.334 178.562 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 88.8 t -60.1 -41.82 87.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.846 -0.616 . . . . 10.0 111.385 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -71.12 -40.98 71.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.794 0.33 . . . . 10.0 111.288 -179.472 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -70.56 -39.95 73.65 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.552 -0.295 . . . . 10.0 111.214 179.304 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 585' ' ' LEU . . . . . 0.403 ' O ' ' HB2' ' D' ' 589' ' ' GLU . 23.9 mt -59.6 -49.9 75.95 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.485 -0.325 . . . . 10.0 110.164 179.112 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 6.2 p -66.47 -37.42 85.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.516 179.434 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 587' ' ' ALA . . . . . 0.563 ' HA ' ' HZ3' ' A' ' 396' ' ' LYS . . . -59.64 -57.97 10.6 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.15 -0.477 . . . . 10.0 110.679 179.206 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 63.2 mt -61.19 -43.09 99.44 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.256 -0.429 . . . . 10.0 111.175 -179.467 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 589' ' ' GLU . . . . . 0.475 ' O ' ' HG3' ' D' ' 593' ' ' LYS . 20.1 tt0 -59.32 -54.81 42.51 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.924 -0.58 . . . . 10.0 111.307 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -67.38 -30.13 69.83 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.274 0.472 . . . . 10.0 112.274 -179.323 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 1.4 m-30 -63.8 -45.74 88.31 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.05 0.453 . . . . 10.0 110.078 178.689 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 4.9 m -64.56 -20.06 66.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.653 -0.703 . . . . 10.0 111.341 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 593' ' ' LYS . . . . . 0.475 ' HG3' ' O ' ' D' ' 589' ' ' GLU . 83.3 mttt -82.25 -41.89 19.61 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.082 0.468 . . . . 10.0 110.26 179.587 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 594' ' ' LYS . . . . . 0.461 ' HE2' ' HB2' ' A' ' 388' ' ' SER . 11.9 mptt -74.57 -32.37 62.38 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.706 -0.679 . . . . 10.0 111.393 -179.685 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 87.3 mt -104.77 26.19 9.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.004 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 . . . . . 0 C--N 1.326 -0.415 0 CA-C-N 116.196 -0.457 . . . . 10.0 111.497 -179.592 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 15.2 m . . . . . 0 C--O 1.235 0.314 0 CA-C-O 121.054 0.454 . . . . 10.0 110.793 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.59 134.16 35.18 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.348 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -103.17 131.18 50.4 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.0 0.428 . . . . 10.0 110.824 179.353 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -119.52 116.29 25.78 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.117 -0.697 . . . . 10.0 109.117 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.684 ' HA ' ' HB3' ' B' ' 54' ' ' ASP . 47.5 mttm -81.95 115.18 21.0 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.701 0.286 . . . . 10.0 110.955 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 8.4 mt -114.91 126.16 54.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.198 -0.455 . . . . 10.0 111.235 -178.473 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 40.1 t -111.83 125.2 69.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.225 -0.443 . . . . 10.0 109.828 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 8.0 t -90.79 112.15 24.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.316 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.4 HG23 ' HA ' ' B' ' 80' ' ' CYS . 17.5 m -108.57 144.92 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.086 -0.506 . . . . 10.0 111.073 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 158.77 164.38 14.24 Favored Glycine 0 N--CA 1.443 -0.878 0 N-CA-C 110.472 -1.051 . . . . 10.0 110.472 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.78 161.88 28.11 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.06 0.457 . . . . 10.0 110.968 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -73.36 118.38 16.24 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.289 0.566 . . . . 10.0 111.318 -179.663 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 122.65 -10.45 9.08 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.706 -0.759 . . . . 10.0 112.793 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 25.9 m -76.03 -15.35 15.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.861 0.362 . . . . 10.0 111.724 -179.451 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 89.42 25.45 28.22 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.929 -0.653 . . . . 10.0 112.664 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' LYS . . . . . 0.481 ' H ' ' HG2' ' B' ' 16' ' ' LYS . 3.8 ptmm? -60.33 -34.86 74.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.584 0.23 . . . . 10.0 111.597 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 48.7 m -72.82 -45.91 55.93 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.697 -0.483 . . . . 10.0 109.697 179.066 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.96 -44.78 78.78 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.724 -0.671 . . . . 10.0 111.531 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.466 HD11 ' HB2' ' B' ' 116' ' ' ASN . 53.4 mt -59.88 -40.62 89.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.261 -0.427 . . . . 10.0 111.021 179.57 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 16.4 m -70.03 -45.24 67.6 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.108 -0.497 . . . . 10.0 110.659 179.572 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 95.5 mt -61.97 -34.75 64.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.761 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' GLN . . . . . 0.533 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 6.1 mm-40 -64.97 -19.49 66.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.115 -0.493 . . . . 10.0 111.563 179.493 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.403 HD22 ' CD2' ' B' ' 156' ' ' PHE . 11.1 tp -97.34 -36.46 10.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.071 0.462 . . . . 10.0 110.975 179.511 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 43.0 mm -79.31 -50.02 18.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.017 -0.538 . . . . 10.0 112.192 -178.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -106.68 -5.24 18.71 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.169 0.433 . . . . 10.0 112.169 -178.048 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' ASN . . . . . 0.533 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 89.4 m-20 56.12 44.15 25.71 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.992 -0.549 . . . . 10.0 112.473 179.325 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 5.2 p-80 -149.29 157.87 43.7 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.467 -0.333 . . . . 10.0 110.273 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -101.95 141.42 34.83 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.182 -0.463 . . . . 10.0 111.194 -179.185 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 16.2 m -100.71 129.02 52.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.781 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -90.78 -31.3 16.57 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.404 0.621 . . . . 10.0 110.128 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -86.94 145.85 26.38 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.323 -0.853 . . . . 10.0 110.783 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -102.16 115.8 31.32 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.945 -0.571 . . . . 10.0 110.673 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -109.54 127.63 26.84 Favored Pre-proline 0 C--N 1.32 -0.715 0 CA-C-N 115.664 -0.698 . . . . 10.0 110.054 179.411 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -57.6 112.39 1.12 Allowed 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.706 2.271 . . . . 10.0 111.317 179.253 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' THR . . . . . 0.435 HG21 ' OD2' ' B' ' 57' ' ' ASP . 12.1 m -95.81 119.39 34.22 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.236 -0.438 . . . . 10.0 111.707 -179.026 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.634 ' HA ' ' HB2' ' B' ' 59' ' ' ALA . 50.4 mm -100.86 -47.89 11.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 108.567 -0.901 . . . . 10.0 108.567 178.042 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -159.27 101.37 1.56 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.673 -0.694 . . . . 10.0 110.376 179.496 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -107.89 117.95 35.47 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.25 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 4.4 p -106.84 118.76 37.54 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.897 0.38 . . . . 10.0 110.838 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -129.88 136.38 49.46 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.286 -0.415 . . . . 10.0 111.245 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.47 ' HD2' ' OD1' ' B' ' 54' ' ' ASP . 0.3 OUTLIER -120.1 142.79 48.57 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.224 179.565 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 37.7 tttp -154.58 151.26 28.65 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.215 -0.661 . . . . 10.0 109.215 -179.387 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -129.68 121.82 27.73 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.842 0.353 . . . . 10.0 110.417 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' VAL . . . . . 0.508 HG23 HG13 ' B' ' 46' ' ' ILE . 6.3 m -135.72 173.28 14.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.481 -179.684 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 3.1 t -98.58 89.39 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.637 -0.505 . . . . 10.0 109.637 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' ILE . . . . . 0.508 HG13 HG23 ' B' ' 44' ' ' VAL . 78.0 mt -89.46 114.06 26.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.908 -179.457 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 59.91 28.2 17.67 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.693 -0.685 . . . . 10.0 111.684 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.8 -6.58 79.64 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.374 -0.917 . . . . 10.0 112.696 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -106.42 113.61 27.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.655 0.264 . . . . 10.0 110.867 -179.588 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.47 110.92 8.14 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.859 -0.793 . . . . 10.0 108.859 178.312 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -130.19 158.71 38.98 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 112.209 0.448 . . . . 10.0 112.209 -178.122 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 36.4 tp -97.5 126.63 42.9 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.535 -0.757 . . . . 10.0 109.976 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 6.5 mp -92.32 109.75 21.14 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.745 -0.661 . . . . 10.0 110.616 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' ASP . . . . . 0.684 ' HB3' ' HA ' ' B' ' 5' ' ' LYS . 26.2 t70 -93.55 80.52 4.32 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.279 -1.008 . . . . 10.0 108.279 178.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 8.7 mt -86.97 135.59 24.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 112.776 0.658 . . . . 10.0 112.776 -177.582 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 38.7 tp -131.92 105.67 7.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.589 -0.732 . . . . 10.0 110.245 179.288 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 57' ' ' ASP . . . . . 0.435 ' OD2' HG21 ' B' ' 35' ' ' THR . 25.0 t0 -93.12 103.69 15.96 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.288 -0.634 . . . . 10.0 109.288 179.66 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.33 154.86 18.42 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 112.581 0.586 . . . . 10.0 112.581 -178.709 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 59' ' ' ALA . . . . . 0.634 ' HB2' ' HA ' ' B' ' 36' ' ' ILE . . . -54.52 139.77 36.78 Favored 'General case' 0 C--N 1.334 -0.101 0 N-CA-C 112.781 0.66 . . . . 10.0 112.781 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -119.73 30.82 5.59 Favored Glycine 0 N--CA 1.45 -0.411 0 N-CA-C 110.523 -1.031 . . . . 10.0 110.523 179.087 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -95.81 26.84 3.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.252 -0.474 . . . . 10.0 110.636 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 57.66 -161.11 0.23 Allowed 'General case' 0 C--O 1.238 0.481 0 CA-C-N 115.463 -0.79 . . . . 10.0 111.642 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 75.4 -44.48 0.53 Allowed 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.861 -0.609 . . . . 10.0 112.533 178.675 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 64' ' ' TYR . . . . . 0.58 ' O ' ' HB2' ' B' ' 68' ' ' ARG . 63.3 m-85 -72.49 78.73 1.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.008 0.432 . . . . 10.0 111.034 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.94 -50.26 7.65 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.803 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.59 -28.73 33.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 10.0 111.121 -179.201 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 67' ' ' MET . . . . . 0.4 ' HB3' ' HB3' ' B' ' 64' ' ' TYR . 22.5 ttt -73.87 -33.67 64.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.469 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 68' ' ' ARG . . . . . 0.742 ' HA ' ' CE2' ' B' ' 71' ' ' TYR . 7.5 ttp180 -62.31 -32.96 73.78 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.487 -0.324 . . . . 10.0 111.185 -179.383 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -60.77 -26.72 67.46 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.695 -0.684 . . . . 10.0 111.921 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -66.4 -60.97 2.26 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 112.347 0.499 . . . . 10.0 112.347 -178.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 71' ' ' TYR . . . . . 0.742 ' CE2' ' HA ' ' B' ' 68' ' ' ARG . 0.1 OUTLIER -66.72 -27.58 67.74 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.7 0.63 . . . . 10.0 112.7 -178.92 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 72' ' ' MET . . . . . 0.433 ' HA ' ' CZ ' ' B' ' 78' ' ' PHE . 54.6 mtt -72.76 -12.85 61.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.459 0.647 . . . . 10.0 110.76 179.542 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -91.23 -45.46 8.62 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.67 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 2.5 m -80.72 -32.04 35.91 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.688 0.625 . . . . 10.0 112.688 -178.647 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.74 150.77 51.87 Favored Glycine 0 C--O 1.226 -0.384 0 C-N-CA 120.427 -0.892 . . . . 10.0 112.216 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -107.44 -45.84 3.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 117.084 0.442 . . . . 10.0 111.022 -179.56 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 77' ' ' GLY . . . . . 0.53 ' HA3' HD11 ' B' ' 163' ' ' ILE . . . -109.98 137.86 14.5 Favored Glycine 0 N--CA 1.445 -0.73 0 N-CA-C 110.983 -0.847 . . . . 10.0 110.983 179.278 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 78' ' ' PHE . . . . . 0.643 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 94.1 m-85 -118.43 114.57 23.09 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.157 0.503 . . . . 10.0 111.8 -179.266 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.509 HD13 HD22 ' B' ' 159' ' ' LEU . 9.2 tp -91.93 108.99 20.32 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.503 -0.771 . . . . 10.0 109.569 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 80' ' ' CYS . . . . . 0.521 ' HB3' HD12 ' B' ' 93' ' ' ILE . 6.8 m -87.06 101.05 13.09 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.625 -179.543 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 43.8 t -103.35 128.42 56.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.941 0.4 . . . . 10.0 111.246 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 21.6 p90 -133.94 172.12 13.25 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.226 -0.443 . . . . 10.0 109.96 179.191 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -116.57 131.94 56.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.48 -0.327 . . . . 10.0 111.408 -179.377 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 84' ' ' ILE . . . . . 0.578 HD12 ' HB3' ' B' ' 123' ' ' ARG . 15.6 pt -66.05 -23.04 31.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.962 -0.563 . . . . 10.0 111.592 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 19.6 p-10 -96.83 17.58 16.38 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.52 179.296 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -143.85 89.7 2.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.791 -0.641 . . . . 10.0 110.171 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -57.39 -30.96 65.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.816 -0.629 . . . . 10.0 111.565 -179.562 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -58.38 -47.38 84.04 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.708 -0.678 . . . . 10.0 111.304 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 89' ' ' SER . . . . . 0.51 ' O ' HG12 ' B' ' 93' ' ' ILE . 96.0 p -62.74 -30.42 71.42 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.532 -0.304 . . . . 10.0 111.712 -179.49 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -64.07 -39.98 95.25 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.573 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -77.55 -31.25 53.14 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.16 179.529 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -60.7 -33.75 73.34 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.853 -0.612 . . . . 10.0 111.105 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 93' ' ' ILE . . . . . 0.521 HD12 ' HB3' ' B' ' 80' ' ' CYS . 51.2 mm -57.04 -37.55 55.64 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.912 179.697 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 61.3 t60 -65.57 -47.51 75.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.925 -0.58 . . . . 10.0 110.133 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 60.9 m-70 -61.79 -37.92 86.15 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.014 -0.539 . . . . 10.0 110.815 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -63.95 -46.52 84.33 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 115.967 -0.561 . . . . 10.0 110.268 179.123 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 97' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' B' ' 97' ' ' ARG . 37.8 ttt-85 -58.83 -41.78 87.71 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.941 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -60.14 -42.33 94.62 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.046 -0.525 . . . . 10.0 111.541 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 99' ' ' GLN . . . . . 0.53 ' O ' HG23 ' B' ' 103' ' ' VAL . 48.9 tt0 -69.91 -45.21 68.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.399 -0.364 . . . . 10.0 111.09 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 84.4 mt -54.79 -44.37 71.14 Favored 'Isoleucine or valine' 0 C--O 1.238 0.487 0 CA-C-O 121.02 0.438 . . . . 10.0 110.834 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 101' ' ' LYS . . . . . 0.41 ' HB2' ' HE3' ' B' ' 101' ' ' LYS . 25.5 mtmt -66.37 -26.67 67.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.728 -0.669 . . . . 10.0 111.163 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 23.8 ttm180 -78.99 -41.1 29.84 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.942 0.401 . . . . 10.0 110.742 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 103' ' ' VAL . . . . . 0.53 HG23 ' O ' ' B' ' 99' ' ' GLN . 45.2 t -62.3 -51.49 71.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.037 -179.629 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -85.57 -10.6 55.69 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.378 -0.374 . . . . 10.0 111.625 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 55.68 41.45 30.44 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.691 0.758 . . . . 10.0 110.361 -178.764 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 10.7 t -140.77 135.86 31.92 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.043 -0.981 . . . . 10.0 109.573 -179.205 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -85.47 -23.82 27.64 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.265 0.555 . . . . 10.0 110.384 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -99.17 89.48 4.25 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.185 -0.461 . . . . 10.0 111.035 -179.043 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 55.0 t -121.08 129.65 25.19 Favored Pre-proline 0 C--O 1.236 0.394 0 CA-C-N 115.692 -0.685 . . . . 10.0 109.643 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -62.45 106.88 0.52 Allowed 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.805 2.337 . . . . 10.0 111.587 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 111' ' ' MET . . . . . 0.643 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 64.7 mtm -135.64 151.79 50.58 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.917 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 112' ' ' VAL . . . . . 0.419 ' HB ' HD12 ' B' ' 79' ' ' LEU . 92.4 t -132.52 133.8 59.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 109.686 -0.487 . . . . 10.0 109.686 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 16.8 tp -89.75 114.4 26.09 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.077 0.465 . . . . 10.0 109.802 179.404 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 63.2 t -113.06 122.5 67.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.961 -0.563 . . . . 10.0 111.355 -178.625 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -102.46 109.88 3.64 Favored Glycine 0 N--CA 1.447 -0.576 0 N-CA-C 110.811 -0.916 . . . . 10.0 110.811 178.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 116' ' ' ASN . . . . . 0.466 ' HB2' HD11 ' B' ' 19' ' ' LEU . 66.0 t30 -92.71 165.49 12.93 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 117.076 0.438 . . . . 10.0 111.24 -179.492 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 83.7 mttt 62.01 31.45 17.97 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 112.63 0.604 . . . . 10.0 112.63 179.203 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 118' ' ' CYS . . . . . 0.412 ' HA ' ' CD1' ' B' ' 84' ' ' ILE . 60.4 m -72.98 1.18 9.36 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.651 0.611 . . . . 10.0 112.651 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -101.09 1.76 39.67 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.825 0.345 . . . . 10.0 110.916 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 120' ' ' LEU . . . . . 0.433 ' HA ' ' HD3' ' B' ' 121' ' ' PRO . 54.9 mt -85.89 145.2 40.63 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.377 -0.374 . . . . 10.0 111.112 179.685 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 121' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' B' ' 120' ' ' LEU . 5.8 Cg_exo -79.46 150.7 22.25 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 122.996 2.464 . . . . 10.0 111.106 179.106 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 53.6 m 63.87 81.99 0.19 Allowed 'General case' 0 C--O 1.236 0.392 0 N-CA-C 112.63 0.604 . . . . 10.0 112.63 -179.691 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 123' ' ' ARG . . . . . 0.578 ' HB3' HD12 ' B' ' 84' ' ' ILE . 6.1 ptp180 -100.27 139.8 35.42 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.866 -0.606 . . . . 10.0 110.44 179.598 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 2.7 m -88.13 -43.56 11.57 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.091 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 125' ' ' VAL . . . . . 0.455 ' HB ' ' HA ' ' B' ' 84' ' ' ILE . 47.9 t -89.49 113.45 25.91 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 CA-C-N 115.839 -0.618 . . . . 10.0 109.639 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 126' ' ' ASP . . . . . 0.559 ' HB3' ' HG2' ' B' ' 128' ' ' LYS . 7.7 m-20 -80.53 149.32 30.03 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.534 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.52 -37.69 79.02 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.772 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 128' ' ' LYS . . . . . 0.559 ' HG2' ' HB3' ' B' ' 126' ' ' ASP . 14.8 ptpt -54.96 -45.13 74.89 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 113.147 0.795 . . . . 10.0 113.147 -179.398 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -75.61 -35.59 60.49 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.921 -0.312 . . . . 10.0 111.792 -179.261 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -69.16 -42.43 75.93 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.208 0.528 . . . . 10.0 111.042 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -68.38 -40.52 81.35 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.917 -0.583 . . . . 10.0 111.737 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 132' ' ' ASP . . . . . 0.415 ' HB2' ' HB3' ' C' ' 47' ' ' ASP . 17.8 t70 -63.23 -38.63 91.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.943 0.401 . . . . 10.0 110.617 179.428 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 21.7 tp -65.88 -44.89 84.02 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.118 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -58.39 -45.19 88.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.796 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 135' ' ' ARG . . . . . 0.547 ' HD3' ' CG ' ' C' ' 161' ' ' ARG . 33.6 ttp85 -59.93 -43.39 94.98 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.011 -0.54 . . . . 10.0 110.721 179.651 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 19.2 m -63.08 -23.72 67.57 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.032 -0.531 . . . . 10.0 111.873 -179.583 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 19.5 m-30 -99.36 -5.55 29.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.911 0.386 . . . . 10.0 111.659 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 76.44 28.04 60.42 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.939 -0.648 . . . . 10.0 113.041 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 45.4 pt -119.45 153.31 53.79 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 116.598 0.199 . . . . 10.0 110.737 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -86.32 153.84 9.35 Favored 'Trans proline' 0 N--CA 1.46 -0.455 0 C-N-CA 122.536 2.157 . . . . 10.0 111.602 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -124.44 132.65 53.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.469 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 2.6 mp -133.89 127.12 51.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.155 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -79.88 135.23 36.39 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 108.977 -0.749 . . . . 10.0 108.977 178.601 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 47.6 p -136.81 -178.77 5.33 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.518 0.675 . . . . 10.0 111.62 -178.285 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 10.5 t -167.26 119.39 0.92 Allowed 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 107.878 -1.156 . . . . 10.0 107.878 178.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -76.79 -27.9 55.43 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.977 -0.749 . . . . 10.0 108.977 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -63.77 -46.19 86.39 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.78 -1.1 . . . . 10.0 111.635 179.532 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 40.6 p -101.87 -0.95 33.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.922 0.391 . . . . 10.0 111.077 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 30.1 ttt-85 59.77 46.51 11.41 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.688 -0.687 . . . . 10.0 111.231 -179.224 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -96.42 125.58 41.02 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.619 -0.718 . . . . 10.0 110.739 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 65.2 12.36 55.05 Favored Glycine 0 C--N 1.335 0.484 0 C-N-CA 121.46 -0.4 . . . . 10.0 113.896 178.724 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 31.2 t -59.57 -44.83 94.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.697 0.248 . . . . 10.0 111.505 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -75.86 -41.92 50.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.239 -0.437 . . . . 10.0 110.444 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -56.96 -37.72 71.97 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.614 0.598 . . . . 10.0 112.614 -178.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -56.58 -51.56 68.15 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.024 0.44 . . . . 10.0 111.079 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 156' ' ' PHE . . . . . 0.403 ' CD2' HD22 ' B' ' 23' ' ' LEU . 77.2 m-85 -70.09 -39.47 75.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.995 -0.548 . . . . 10.0 111.02 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -57.41 -48.37 79.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.677 179.485 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 158' ' ' THR . . . . . 0.5 ' O ' ' HG2' ' B' ' 162' ' ' GLU . 30.9 m -62.5 -43.56 98.52 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.954 -0.567 . . . . 10.0 111.196 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 159' ' ' LEU . . . . . 0.509 HD22 HD13 ' B' ' 79' ' ' LEU . 30.0 tp -58.55 -50.73 72.73 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.642 0.258 . . . . 10.0 111.264 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 74.3 t -61.25 -41.94 91.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.313 0.578 . . . . 10.0 110.263 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 22.1 ttp180 -62.86 -38.89 92.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.573 -0.739 . . . . 10.0 111.037 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 162' ' ' GLU . . . . . 0.5 ' HG2' ' O ' ' B' ' 158' ' ' THR . 60.4 mm-40 -65.61 -39.99 92.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.643 -0.253 . . . . 10.0 110.556 179.291 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 163' ' ' ILE . . . . . 0.53 HD11 ' HA3' ' B' ' 77' ' ' GLY . 67.3 mt -63.28 -44.39 99.13 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 N-CA-C 109.304 -0.628 . . . . 10.0 109.304 178.622 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 164' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' B' ' 164' ' ' ARG . 39.0 ttm180 -63.04 -42.73 99.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.712 -0.676 . . . . 10.0 109.332 179.102 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 30.9 ttmt . . . . . 0 C--N 1.332 -0.186 0 CA-C-N 115.546 -0.752 . . . . 10.0 109.507 178.871 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 7.4 m . . . . . 0 N--CA 1.455 -0.211 0 CA-C-O 120.526 0.203 . . . . 10.0 111.044 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 2' ' ' THR . . . . . 0.623 ' HB ' ' CE2' ' C' ' 4' ' ' TYR . 0.0 OUTLIER -85.81 120.47 27.26 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.482 -0.327 . . . . 10.0 110.219 179.521 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -87.77 131.2 34.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.698 0.285 . . . . 10.0 110.619 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 4' ' ' TYR . . . . . 0.623 ' CE2' ' HB ' ' C' ' 2' ' ' THR . 97.8 m-85 -129.45 119.36 23.65 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.301 -0.408 . . . . 10.0 110.39 179.449 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 48.5 mttm -87.83 113.8 23.83 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.034 0.445 . . . . 10.0 110.016 179.449 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 6' ' ' LEU . . . . . 0.43 ' O ' ' HA ' ' C' ' 55' ' ' ILE . 17.3 mt -113.31 126.2 55.13 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.852 -0.613 . . . . 10.0 111.211 -178.05 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 46.4 t -112.88 123.66 68.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.295 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 3.0 t -87.12 123.14 39.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.229 -0.656 . . . . 10.0 109.229 179.124 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 27.7 m -119.13 156.73 21.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.975 0.417 . . . . 10.0 111.795 -179.21 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 146.11 171.32 15.45 Favored Glycine 0 N--CA 1.444 -0.788 0 N-CA-C 110.998 -0.841 . . . . 10.0 110.998 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.37 164.34 23.15 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.721 0.296 . . . . 10.0 110.412 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.54 142.47 37.35 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.955 -0.298 . . . . 10.0 110.509 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 91.48 3.49 69.08 Favored Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 116.007 -0.542 . . . . 10.0 113.466 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 14' ' ' VAL . . . . . 0.508 ' CG2' ' HG3' ' C' ' 16' ' ' LYS . 33.8 m -80.48 -30.91 12.55 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 N-CA-C 112.789 0.663 . . . . 10.0 112.789 -179.57 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 118.84 18.64 4.67 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.299 -0.953 . . . . 10.0 113.255 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 16' ' ' LYS . . . . . 0.508 ' HG3' ' CG2' ' C' ' 14' ' ' VAL . 54.1 mtmt -59.11 -41.72 88.83 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.022 0.439 . . . . 10.0 111.024 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 49.9 m -77.41 -38.46 49.73 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.145 -0.479 . . . . 10.0 110.446 -179.685 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.16 -43.02 96.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.401 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 19' ' ' LEU . . . . . 0.419 HD22 HG22 ' C' ' 152' ' ' VAL . 79.7 mt -64.74 -44.94 88.53 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.823 179.13 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 30.5 m -63.22 -46.67 85.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.969 -0.56 . . . . 10.0 111.554 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 98.2 mt -61.39 -34.07 59.56 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 CA-C-O 120.949 0.404 . . . . 10.0 110.485 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 22' ' ' GLN . . . . . 0.456 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 4.9 mm-40 -68.72 -13.89 62.67 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.586 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 24.6 tp -104.53 -36.3 7.57 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 120.961 0.41 . . . . 10.0 110.62 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 45.8 mm -76.74 -65.48 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.433 -0.349 . . . . 10.0 111.438 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -93.95 -13.93 26.52 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.901 0.382 . . . . 10.0 111.06 -179.1 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 26' ' ' ASN . . . . . 0.456 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 57.3 m-80 66.88 50.26 1.11 Allowed 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 113.545 0.943 . . . . 10.0 113.545 178.485 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 25.1 p80 -149.58 154.23 38.35 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.783 -0.19 . . . . 10.0 110.729 178.6 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -98.61 137.98 36.46 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.749 -0.205 . . . . 10.0 111.198 -179.522 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 2.0 m -103.13 123.3 56.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.457 . . . . 10.0 110.808 179.422 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -82.59 -22.13 34.95 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.27 0.557 . . . . 10.0 110.8 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -94.68 135.03 36.63 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.801 -0.636 . . . . 10.0 110.462 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -66.12 132.47 48.58 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.706 -0.225 . . . . 10.0 110.67 -179.536 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 33' ' ' ASP . . . . . 0.419 ' HA ' ' HD3' ' C' ' 34' ' ' PRO . 19.2 t70 -111.49 108.37 56.54 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 116.459 -0.337 . . . . 10.0 111.217 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 34' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' C' ' 33' ' ' ASP . 3.3 Cg_exo -81.14 70.42 7.49 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 123.2 2.6 . . . . 10.0 111.167 179.64 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.28 156.45 36.35 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.132 -0.485 . . . . 10.0 111.498 -179.659 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 37.1 mm -102.23 -68.1 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 108.982 -0.747 . . . . 10.0 108.982 178.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -159.27 81.19 0.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.334 -0.848 . . . . 10.0 109.447 179.522 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -102.47 141.74 34.79 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.676 0.274 . . . . 10.0 111.108 -179.028 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -113.58 142.35 46.07 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.086 -0.506 . . . . 10.0 110.692 -179.658 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -132.38 135.56 46.22 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.537 -0.301 . . . . 10.0 110.406 -179.588 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -116.57 128.71 55.66 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.196 0.443 . . . . 10.0 112.196 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 34.8 tttp -142.74 133.48 25.35 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.813 -0.631 . . . . 10.0 109.694 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -107.69 110.79 22.73 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.846 0.355 . . . . 10.0 110.754 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 44' ' ' VAL . . . . . 0.478 HG23 HG13 ' C' ' 46' ' ' ILE . 3.8 m -122.82 -178.44 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.688 -179.683 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -113.09 69.92 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.967 0.413 . . . . 10.0 111.522 -179.183 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 46' ' ' ILE . . . . . 0.662 HD11 HD11 ' C' ' 53' ' ' LEU . 64.8 mt -73.92 124.47 31.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 CA-C-N 116.022 -0.535 . . . . 10.0 110.399 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 47' ' ' ASP . . . . . 0.415 ' HB3' ' HB2' ' B' ' 132' ' ' ASP . 66.6 m-20 67.04 14.65 9.91 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.899 -179.467 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.05 -39.81 2.65 Favored Glycine 0 N--CA 1.45 -0.417 0 CA-C-N 116.091 -0.504 . . . . 10.0 112.544 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -75.79 137.69 40.7 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.823 0.344 . . . . 10.0 111.704 -179.345 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 1.3 m -75.33 121.51 22.33 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.568 -0.901 . . . . 10.0 108.568 179.038 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -130.07 143.93 51.06 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.06 0.457 . . . . 10.0 112.068 -178.78 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 50.8 tp -97.74 112.58 24.41 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.677 -0.86 . . . . 10.0 108.677 178.778 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 53' ' ' LEU . . . . . 0.662 HD11 HD11 ' C' ' 46' ' ' ILE . 23.5 mt -94.42 124.5 38.48 Favored 'General case' 0 C--N 1.313 -1.017 0 N-CA-C 112.399 0.518 . . . . 10.0 112.399 -178.294 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -105.69 93.22 4.53 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.976 -1.12 . . . . 10.0 107.976 178.533 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 55' ' ' ILE . . . . . 0.43 ' HA ' ' O ' ' C' ' 6' ' ' LEU . 0.5 OUTLIER -91.11 146.83 5.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.216 -0.447 . . . . 10.0 111.922 -178.452 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 60.7 tp -133.51 121.17 21.78 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 115.677 -0.692 . . . . 10.0 111.072 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -93.3 109.13 20.67 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.551 -0.75 . . . . 10.0 109.377 179.239 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 72.7 p -97.9 156.45 16.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.344 -0.389 . . . . 10.0 111.485 -178.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -82.18 128.72 34.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.198 -0.455 . . . . 10.0 110.811 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -99.41 32.21 7.43 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.754 -0.736 . . . . 10.0 112.18 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -89.94 12.3 17.88 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.563 0.22 . . . . 10.0 111.417 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 62' ' ' GLU . . . . . 0.629 ' HG3' ' H ' ' C' ' 63' ' ' GLU . 3.3 tp10 63.76 -160.54 0.3 Allowed 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.982 -0.554 . . . . 10.0 111.495 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 63' ' ' GLU . . . . . 0.629 ' H ' ' HG3' ' C' ' 62' ' ' GLU . 2.8 tt0 73.76 -49.32 0.68 Allowed 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 123.639 0.776 . . . . 10.0 113.046 178.712 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 64' ' ' TYR . . . . . 0.501 ' HB3' ' HB2' ' C' ' 67' ' ' MET . 23.7 m-85 -73.97 76.85 1.68 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.362 0.504 . . . . 10.0 112.362 -178.794 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.03 -41.67 15.57 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.888 -0.597 . . . . 10.0 110.282 179.265 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.52 -38.24 41.09 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.057 -0.519 . . . . 10.0 110.682 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 67' ' ' MET . . . . . 0.501 ' HB2' ' HB3' ' C' ' 64' ' ' TYR . 92.0 mtp -70.21 -16.13 63.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.094 0.473 . . . . 10.0 110.727 179.732 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 68' ' ' ARG . . . . . 0.551 ' HA ' ' CZ ' ' C' ' 71' ' ' TYR . 2.2 ttp180 -76.88 -35.22 57.58 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.65 -0.704 . . . . 10.0 110.478 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 69' ' ' ASP . . . . . 0.422 ' OD1' HG22 ' C' ' 103' ' ' VAL . 0.4 OUTLIER -58.39 -39.68 80.29 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.666 -0.697 . . . . 10.0 111.705 -178.728 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -54.85 -60.31 3.54 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 113.294 0.85 . . . . 10.0 113.294 -178.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 71' ' ' TYR . . . . . 0.551 ' CZ ' ' HA ' ' C' ' 68' ' ' ARG . 3.6 p90 -75.22 -21.48 58.61 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.263 0.838 . . . . 10.0 113.263 -178.812 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 72' ' ' MET . . . . . 0.916 ' HA ' ' HZ ' ' C' ' 78' ' ' PHE . 31.7 mtt -66.89 -38.84 87.03 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.12 0.486 . . . . 10.0 111.223 179.753 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 23.5 ttm105 -76.31 -24.82 54.36 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 6.4 m -86.12 -22.12 27.26 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.606 -179.452 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -72.22 141.12 30.8 Favored Glycine 0 C--O 1.239 0.428 0 C-N-CA 120.757 -0.735 . . . . 10.0 114.048 -178.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -95.84 -35.38 11.52 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 109.415 -0.587 . . . . 10.0 109.415 178.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -139.5 142.77 13.09 Favored Glycine 0 N--CA 1.445 -0.751 0 N-CA-C 110.498 -1.041 . . . . 10.0 110.498 179.093 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 78' ' ' PHE . . . . . 0.916 ' HZ ' ' HA ' ' C' ' 72' ' ' MET . 38.6 m-85 -120.23 125.25 47.68 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.258 0.551 . . . . 10.0 112.125 -179.04 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 79' ' ' LEU . . . . . 0.467 HD13 HD22 ' C' ' 159' ' ' LEU . 12.0 tp -96.16 106.25 18.42 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.451 -0.795 . . . . 10.0 109.907 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 80' ' ' CYS . . . . . 0.405 ' HB3' HG23 ' C' ' 93' ' ' ILE . 3.9 m -81.67 93.21 6.72 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.114 -0.493 . . . . 10.0 109.685 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 59.6 t -99.59 126.75 52.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.321 -0.399 . . . . 10.0 111.558 -178.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -134.4 168.04 19.64 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.301 -0.629 . . . . 10.0 109.301 178.494 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 83' ' ' ALA . . . . . 0.407 ' HB3' ' HB3' ' C' ' 86' ' ' ASN . . . -104.37 127.27 52.01 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 110.038 -0.356 . . . . 10.0 110.038 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 84' ' ' ILE . . . . . 0.552 HD12 ' HB3' ' C' ' 123' ' ' ARG . 17.5 pt -64.13 -19.57 25.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.474 -0.33 . . . . 10.0 111.681 -179.664 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 -97.38 6.01 48.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.414 -0.357 . . . . 10.0 110.94 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 86' ' ' ASN . . . . . 0.407 ' HB3' ' HB3' ' C' ' 83' ' ' ALA . 22.9 t-20 -133.77 98.9 4.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.066 0.46 . . . . 10.0 110.792 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.25 -37.17 74.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.679 -0.692 . . . . 10.0 112.219 -179.28 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -56.22 -48.59 76.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.888 0.375 . . . . 10.0 111.372 -179.495 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 84.4 p -61.48 -31.48 71.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.283 -0.417 . . . . 10.0 111.832 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -68.02 -45.34 74.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.704 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -70.32 -33.39 71.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.964 -0.562 . . . . 10.0 111.274 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.06 -25.48 65.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.717 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 93' ' ' ILE . . . . . 0.405 HG23 ' HB3' ' C' ' 80' ' ' CYS . 50.2 mm -61.77 -32.17 53.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.986 179.79 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -65.99 -41.47 91.06 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.548 -0.538 . . . . 10.0 109.548 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -61.42 -41.1 96.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.6 -0.727 . . . . 10.0 110.021 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -67.25 -43.13 82.66 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.75 -0.659 . . . . 10.0 110.943 179.036 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -54.91 -48.54 72.93 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-O 120.744 0.307 . . . . 10.0 111.812 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -68.07 -39.56 82.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.415 -0.357 . . . . 10.0 111.637 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 99' ' ' GLN . . . . . 0.566 ' O ' HG23 ' C' ' 103' ' ' VAL . 24.0 tt0 -62.57 -51.49 67.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.451 . . . . 10.0 111.154 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 76.2 mt -56.34 -44.02 78.69 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 CA-C-O 120.978 0.418 . . . . 10.0 110.985 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -62.09 -32.9 73.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.803 -0.635 . . . . 10.0 111.57 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 7.3 tmm_? -78.52 -37.37 43.22 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.609 -0.269 . . . . 10.0 110.979 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 103' ' ' VAL . . . . . 0.566 HG23 ' O ' ' C' ' 99' ' ' GLN . 98.3 t -62.22 -52.97 53.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.29 -0.414 . . . . 10.0 111.498 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -86.15 -5.5 59.19 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.555 -0.293 . . . . 10.0 111.579 -179.207 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 36.6 t70 51.64 63.37 2.27 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.536 -0.756 . . . . 10.0 111.803 -178.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 63.4 m -156.89 142.14 17.31 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.524 -0.762 . . . . 10.0 109.715 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -84.93 -20.17 31.08 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.09 0.471 . . . . 10.0 110.547 179.44 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -112.35 96.53 6.06 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.821 -179.279 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -122.71 130.63 24.56 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 115.742 -0.663 . . . . 10.0 109.345 179.664 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -56.53 105.13 0.16 Allowed 'Trans proline' 0 C--O 1.235 0.362 0 C-N-CA 122.988 2.459 . . . . 10.0 112.364 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 111' ' ' MET . . . . . . . . . . . . . 65.7 mtt -130.97 149.49 52.57 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.967 -0.56 . . . . 10.0 110.42 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 112' ' ' VAL . . . . . 0.419 ' HB ' HD12 ' C' ' 79' ' ' LEU . 77.0 t -135.79 125.3 40.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 108.93 -0.767 . . . . 10.0 108.93 178.264 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 16.1 tp -84.37 119.24 24.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.898 0.38 . . . . 10.0 110.201 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 65.2 t -120.3 121.74 66.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.107 0.479 . . . . 10.0 111.358 -178.709 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -100.65 102.26 2.42 Favored Glycine 0 N--CA 1.448 -0.536 0 N-CA-C 110.775 -0.93 . . . . 10.0 110.775 178.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -87.65 168.92 12.59 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.81 0.338 . . . . 10.0 111.672 -178.414 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 82.2 mttt 67.72 31.66 5.82 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 115.41 -0.814 . . . . 10.0 111.623 179.096 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 118' ' ' CYS . . . . . 0.55 ' HA ' ' CD1' ' C' ' 84' ' ' ILE . 58.5 m -71.33 -1.26 12.28 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 112.375 0.509 . . . . 10.0 112.375 -179.589 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -89.22 -25.42 21.76 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.5 -0.555 . . . . 10.0 109.5 178.547 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 61.1 mt -70.85 126.69 92.18 Favored Pre-proline 0 N--CA 1.449 -0.486 0 CA-C-N 115.848 -0.615 . . . . 10.0 110.577 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -75.26 158.65 41.08 Favored 'Trans proline' 0 CA--C 1.529 0.235 0 C-N-CA 122.942 2.428 . . . . 10.0 111.992 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 12.8 m 64.26 66.09 0.64 Allowed 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.756 0.789 . . . . 10.0 111.934 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 123' ' ' ARG . . . . . 0.552 ' HB3' HD12 ' C' ' 84' ' ' ILE . 16.3 ptp180 -79.29 151.27 31.19 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.254 -0.885 . . . . 10.0 111.034 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.74 -37.9 12.1 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.47 -0.332 . . . . 10.0 110.509 178.83 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 58.0 t -98.24 121.04 48.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 109.788 -0.449 . . . . 10.0 109.788 179.215 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 126' ' ' ASP . . . . . 0.512 ' OD1' ' HG2' ' C' ' 128' ' ' LYS . 9.8 t70 -77.44 152.18 34.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.575 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 5.9 m -60.55 -43.51 97.13 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.165 -0.471 . . . . 10.0 110.975 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 128' ' ' LYS . . . . . 0.512 ' HG2' ' OD1' ' C' ' 126' ' ' ASP . 15.3 ptpt -63.78 -46.0 87.2 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.708 0.633 . . . . 10.0 112.708 -178.437 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -65.76 -31.71 72.84 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 120.772 -0.371 . . . . 10.0 111.058 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -75.35 -42.3 54.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.305 0.574 . . . . 10.0 109.982 179.036 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -66.05 -36.07 82.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.78 -0.645 . . . . 10.0 110.647 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -60.06 -40.2 88.65 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.389 0.614 . . . . 10.0 109.984 178.598 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 20.1 tp -66.69 -37.83 85.53 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.655 -0.702 . . . . 10.0 110.335 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.25 -34.13 77.31 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.802 -0.636 . . . . 10.0 109.801 178.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 3.8 tmm_? -60.79 -44.18 97.14 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.517 -0.765 . . . . 10.0 110.441 179.028 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 12.1 m -64.74 -31.77 73.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.07 -0.514 . . . . 10.0 111.726 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 13.7 m-30 -83.8 -24.64 30.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.133 0.492 . . . . 10.0 110.509 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 85.45 21.91 52.71 Favored Glycine 0 N--CA 1.444 -0.77 0 N-CA-C 111.224 -0.75 . . . . 10.0 111.224 -178.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 45.3 pt -113.98 158.69 38.63 Favored Pre-proline 0 C--N 1.327 -0.4 0 N-CA-C 110.214 -0.291 . . . . 10.0 110.214 -179.325 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -84.86 152.45 11.32 Favored 'Trans proline' 0 N--CA 1.462 -0.367 0 C-N-CA 122.971 2.447 . . . . 10.0 112.22 -179.497 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -122.65 134.17 54.5 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.389 -0.597 . . . . 10.0 109.389 179.373 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 65.9 mt -133.93 131.88 56.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.743 0.306 . . . . 10.0 110.596 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 143' ' ' GLU . . . . . 0.541 ' HB3' ' SG ' ' C' ' 118' ' ' CYS . 55.0 mt-10 -86.77 128.68 35.03 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.758 -0.83 . . . . 10.0 108.758 178.632 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 144' ' ' THR . . . . . 0.454 HG22 ' HA3' ' C' ' 151' ' ' GLY . 61.1 p -131.25 174.09 10.4 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.744 0.783 . . . . 10.0 112.255 -178.363 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 11.2 t -162.64 114.76 1.61 Allowed 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 114.675 -1.148 . . . . 10.0 108.347 178.045 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -66.56 -28.22 68.36 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.659 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 67.9 tttt -59.31 -33.05 70.64 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.999 -0.546 . . . . 10.0 111.811 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -120.72 8.19 10.58 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 111.914 0.339 . . . . 10.0 111.914 -179.255 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 55.81 14.14 1.25 Allowed 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 113.576 0.954 . . . . 10.0 113.576 179.713 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -76.02 133.59 40.35 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.388 -0.369 . . . . 10.0 111.328 -179.28 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 151' ' ' GLY . . . . . 0.454 ' HA3' HG22 ' C' ' 144' ' ' THR . . . 81.01 -17.4 11.78 Favored Glycine 0 C--N 1.332 0.335 0 CA-C-N 115.987 -0.551 . . . . 10.0 113.635 179.206 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 152' ' ' VAL . . . . . 0.419 HG22 HD22 ' C' ' 19' ' ' LEU . 96.2 t -53.91 -50.25 54.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.904 0.383 . . . . 10.0 111.813 -178.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -59.37 -58.5 8.34 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.101 -0.499 . . . . 10.0 111.526 -179.04 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -57.76 -36.5 72.2 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.715 0.635 . . . . 10.0 112.715 -178.744 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -56.13 -50.65 70.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.641 0.258 . . . . 10.0 111.368 179.558 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -73.17 -35.26 66.39 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.379 -0.373 . . . . 10.0 111.13 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 4.3 m-30 -63.14 -49.12 75.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.404 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 40.3 m -63.09 -37.52 87.54 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.387 179.491 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 159' ' ' LEU . . . . . 0.467 HD22 HD13 ' C' ' 79' ' ' LEU . 45.0 tp -55.42 -47.88 75.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.528 179.597 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 160' ' ' VAL . . . . . 0.416 ' HA ' HD12 ' C' ' 163' ' ' ILE . 79.3 t -70.14 -41.26 78.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.577 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 161' ' ' ARG . . . . . 0.547 ' CG ' ' HD3' ' B' ' 135' ' ' ARG . 20.1 ttp-105 -59.86 -41.31 91.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.637 -0.71 . . . . 10.0 111.963 -179.537 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -62.19 -35.55 79.17 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.893 0.377 . . . . 10.0 111.249 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 163' ' ' ILE . . . . . 0.433 HG13 ' O ' ' C' ' 159' ' ' LEU . 54.8 mt -62.21 -43.56 98.06 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 N-CA-C 108.932 -0.766 . . . . 10.0 108.932 178.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -63.27 -40.89 98.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.236 -0.893 . . . . 10.0 109.875 179.215 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -61.89 -45.42 93.82 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.737 -0.665 . . . . 10.0 110.771 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 29.1 t-80 -61.05 -50.98 71.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.906 -0.588 . . . . 10.0 111.18 -179.351 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 97.2 mttt . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.126 -0.488 . . . . 10.0 111.708 -179.869 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.854 0.359 . . . . 10.0 111.378 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 58.7 mt -70.64 -28.74 65.04 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.303 -0.408 . . . . 10.0 111.108 -179.351 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 89.5 mt -71.64 -48.81 45.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.15 -0.477 . . . . 10.0 110.675 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -61.62 -41.47 97.52 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.638 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 206' ' ' ASN . . . . . 0.463 ' O ' HG23 ' A' ' 210' ' ' VAL . 8.7 m120 -69.2 -35.02 75.79 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 116.115 -0.493 . . . . 10.0 111.228 179.415 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 9.3 t90 -63.43 -32.33 73.74 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.129 0.49 . . . . 10.0 110.517 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -63.61 -39.38 94.23 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.743 -0.662 . . . . 10.0 109.892 178.623 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.04 -31.49 72.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.309 0.576 . . . . 10.0 110.482 179.508 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 210' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 206' ' ' ASN . 33.5 t -74.59 -47.21 40.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.789 -0.641 . . . . 10.0 109.758 178.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 46.7 m -60.44 -43.45 96.82 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.69 -0.687 . . . . 10.0 111.728 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 4.0 p -61.8 -37.35 84.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.965 0.412 . . . . 10.0 110.5 179.268 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 53.1 m -65.98 -43.66 87.2 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.489 -0.56 . . . . 10.0 109.489 178.423 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -60.8 -44.07 97.34 Favored 'General case' 0 C--N 1.334 -0.095 0 CA-C-N 115.892 -0.595 . . . . 10.0 110.961 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 46.8 m -63.03 -46.31 88.17 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.318 -0.401 . . . . 10.0 111.072 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 22.7 mttt -65.32 -32.07 73.53 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.002 0.429 . . . . 10.0 110.374 178.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 217' ' ' LEU . . . . . 0.53 ' O ' ' HG ' ' A' ' 221' ' ' LEU . 19.3 mt -68.86 -45.44 71.04 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 108.975 -0.75 . . . . 10.0 108.975 177.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 218' ' ' ARG . . . . . 0.585 ' HA ' HD12 ' A' ' 221' ' ' LEU . 43.4 mtt180 -62.79 -37.21 85.77 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.737 179.347 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -64.67 -27.34 68.86 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.938 0.399 . . . . 10.0 110.614 178.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -90.08 -28.65 18.87 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.335 179.013 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 221' ' ' LEU . . . . . 0.585 HD12 ' HA ' ' A' ' 218' ' ' ARG . 66.0 mt -56.75 -37.36 70.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.725 -0.67 . . . . 10.0 111.219 179.597 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 222' ' ' GLY . . . . . 0.444 ' O ' ' HG3' ' A' ' 226' ' ' GLN . . . -56.12 -66.54 2.77 Favored Glycine 0 C--N 1.332 0.308 0 N-CA-C 111.51 -0.636 . . . . 10.0 111.51 178.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_exo -53.72 -42.99 61.77 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.466 2.111 . . . . 10.0 111.439 178.2 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 40.3 t -57.68 -52.4 58.04 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.177 0 CA-C-N 116.566 -0.288 . . . . 10.0 111.771 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 225' ' ' THR . . . . . 0.454 ' O ' ' HB2' ' A' ' 229' ' ' TRP . 15.5 p -61.38 -44.14 97.67 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 121.21 -0.196 . . . . 10.0 111.246 -179.654 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 226' ' ' GLN . . . . . 0.444 ' HG3' ' O ' ' A' ' 222' ' ' GLY . 81.8 mt-30 -62.04 -47.91 82.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.465 -0.334 . . . . 10.0 111.637 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -70.11 -39.1 75.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.539 -0.3 . . . . 10.0 110.918 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 21.3 t80 -65.63 -42.71 91.19 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.991 -0.374 . . . . 10.0 109.991 179.259 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 229' ' ' TRP . . . . . 0.454 ' HB2' ' O ' ' A' ' 225' ' ' THR . 0.0 OUTLIER -64.29 -36.19 83.3 Favored 'General case' 0 CA--C 1.521 -0.153 0 N-CA-C 109.677 -0.49 . . . . 10.0 109.677 178.741 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.86 -43.7 95.33 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.133 -0.692 . . . . 10.0 109.133 178.246 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 231' ' ' ASN . . . . . 0.942 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 55.6 m-20 -68.1 -31.47 71.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.468 -0.787 . . . . 10.0 109.84 178.675 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 57.9 mt -70.92 -42.36 69.98 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 108.992 -0.744 . . . . 10.0 108.992 178.388 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -61.42 -34.37 75.27 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.411 178.447 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 234' ' ' LYS . . . . . 0.942 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 48.5 mttt -63.77 -47.48 80.8 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 108.873 -0.788 . . . . 10.0 108.873 177.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.72 -43.27 99.23 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.403 -0.817 . . . . 10.0 109.913 179.193 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 3.9 m -68.46 -34.62 76.26 Favored 'General case' 0 C--O 1.224 -0.275 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.048 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -61.56 -46.5 89.64 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 108.615 -0.883 . . . . 10.0 108.615 178.51 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -61.83 -42.9 99.8 Favored Glycine 0 N--CA 1.444 -0.768 0 N-CA-C 110.175 -1.17 . . . . 10.0 110.175 178.151 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 239' ' ' LEU . . . . . 0.493 ' HA ' ' HB2' ' A' ' 242' ' ' GLU . 43.1 mt -66.04 -29.55 69.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.769 -0.215 . . . . 10.0 111.172 178.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 57.6 mtt180 -70.14 -40.34 74.85 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.17 -0.678 . . . . 10.0 109.17 178.545 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -71.46 -35.03 70.74 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.577 -0.897 . . . . 10.0 108.577 177.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 242' ' ' GLU . . . . . 0.493 ' HB2' ' HA ' ' A' ' 239' ' ' LEU . 6.6 mt-10 -67.54 -38.19 83.83 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-N 115.196 -0.911 . . . . 10.0 109.506 178.138 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 243' ' ' MET . . . . . 0.632 ' HG3' HD12 ' A' ' 247' ' ' LEU . 43.1 ttm -61.01 -33.72 73.7 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.353 0.597 . . . . 10.0 109.821 179.304 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 4.5 m -76.83 6.56 5.92 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.76 -0.655 . . . . 10.0 110.922 179.016 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 38.5 mttm -130.78 -59.04 1.02 Allowed 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.096 179.113 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 246' ' ' ASP . . . . . 0.55 ' HB2' ' HD3' ' D' ' 528' ' ' ARG . 16.0 t70 -56.06 -54.19 47.99 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.927 -0.579 . . . . 10.0 111.052 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 247' ' ' LEU . . . . . 0.632 HD12 ' HG3' ' A' ' 243' ' ' MET . 6.7 mt -75.17 -35.5 61.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.149 -0.478 . . . . 10.0 111.415 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -64.65 -48.02 76.35 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.512 -0.313 . . . . 10.0 111.262 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -66.29 -40.09 89.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.101 -0.499 . . . . 10.0 110.038 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 250' ' ' VAL . . . . . 0.782 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 1.9 p -66.19 -35.48 75.1 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.447 0 C-N-CA 120.831 -0.347 . . . . 10.0 110.981 179.637 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -74.55 -36.13 63.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.13 0.49 . . . . 10.0 110.976 179.201 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 252' ' ' ALA . . . . . 0.412 ' HA ' ' NE2' ' A' ' 255' ' ' GLN . . . -74.98 -42.73 57.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.694 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 70.0 mttt -79.54 -23.25 42.98 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.363 0.505 . . . . 10.0 112.363 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 254' ' ' VAL . . . . . 0.782 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.8 OUTLIER -60.08 -27.19 38.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.957 -0.297 . . . . 10.0 110.931 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 255' ' ' GLN . . . . . 0.582 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 24.8 mt-30 -63.84 -65.08 2.25 Favored Pre-proline 0 N--CA 1.452 -0.35 0 CA-C-N 116.11 -0.496 . . . . 10.0 111.301 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 256' ' ' PRO . . . . . 0.582 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 32.6 Cg_endo -65.81 -30.06 49.93 Favored 'Trans proline' 0 C--N 1.358 1.042 0 C-N-CA 121.809 1.672 . . . . 10.0 112.103 179.48 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 6.2 m-30 -67.24 -53.77 27.02 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.756 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 19.4 mt -70.07 -33.35 71.81 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 116.426 -0.352 . . . . 10.0 110.51 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 259' ' ' ASP . . . . . 0.559 ' O ' ' HB2' ' A' ' 263' ' ' LYS . 15.6 t70 -60.79 -40.21 91.77 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.655 -0.498 . . . . 10.0 109.655 178.787 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -70.45 -43.92 68.89 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.448 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -63.56 -48.85 75.77 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.244 179.354 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -63.43 -37.82 88.75 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.764 -0.653 . . . . 10.0 110.27 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 263' ' ' LYS . . . . . 0.559 ' HB2' ' O ' ' A' ' 259' ' ' ASP . 26.5 ttmt -61.16 -46.61 89.83 Favored 'General case' 0 CA--C 1.519 -0.227 0 N-CA-C 109.585 -0.524 . . . . 10.0 109.585 178.822 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 264' ' ' LYS . . . . . 0.847 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 54.3 mttt -64.56 -41.23 96.45 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.816 -0.629 . . . . 10.0 109.808 178.792 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 16.8 m95 -62.9 -35.61 80.63 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.06 178.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 266' ' ' GLN . . . . . 0.427 ' O ' ' HG2' ' A' ' 270' ' ' GLU . 45.4 mt-30 -61.79 -47.45 85.11 Favored 'General case' 0 C--O 1.233 0.237 0 N-CA-C 108.822 -0.807 . . . . 10.0 108.822 178.159 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -63.06 -43.49 98.48 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 115.831 -0.622 . . . . 10.0 109.474 178.594 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 268' ' ' GLU . . . . . 0.459 ' HG3' ' O ' ' A' ' 264' ' ' LYS . 26.7 mt-10 -58.36 -43.6 88.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.751 -0.659 . . . . 10.0 110.406 179.057 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 56.4 mmm -63.66 -43.02 97.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.785 -0.643 . . . . 10.0 109.691 178.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 270' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 266' ' ' GLN . 6.3 mm-40 -63.85 -47.02 82.4 Favored 'General case' 0 C--O 1.224 -0.256 0 CA-C-N 116.084 -0.507 . . . . 10.0 109.921 179.119 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 72.2 mt -59.43 -42.9 92.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.395 179.246 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 272' ' ' TYR . . . . . 0.426 ' HD1' ' HA ' ' A' ' 272' ' ' TYR . 0.7 OUTLIER -67.84 -36.05 79.66 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.848 179.457 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 273' ' ' ARG . . . . . 0.457 ' HA ' HG12 ' A' ' 276' ' ' VAL . 69.9 mtt180 -72.55 -35.44 68.03 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.921 0.391 . . . . 10.0 110.712 179.265 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -75.01 -20.16 59.75 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.248 179.075 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 275' ' ' LYS . . . . . 0.642 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 8.2 mptt -95.57 -41.43 8.94 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.735 -0.666 . . . . 10.0 111.347 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 276' ' ' VAL . . . . . 0.457 HG12 ' HA ' ' A' ' 273' ' ' ARG . 7.8 p -55.96 -35.41 40.71 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.262 0 N-CA-C 112.86 0.689 . . . . 10.0 112.86 -178.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 277' ' ' GLU . . . . . 0.412 ' HB2' ' HD3' ' A' ' 278' ' ' PRO . 7.6 mt-10 -61.3 -63.01 4.82 Favored Pre-proline 0 CA--C 1.538 0.494 0 N-CA-C 112.379 0.511 . . . . 10.0 112.379 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 278' ' ' PRO . . . . . 0.465 ' O ' ' HG3' ' A' ' 282' ' ' GLU . 27.5 Cg_endo -64.51 -37.21 39.41 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 121.731 1.621 . . . . 10.0 112.146 179.051 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 279' ' ' LEU . . . . . 0.642 ' HG ' ' O ' ' A' ' 275' ' ' LYS . 19.0 mt -64.26 -46.58 83.13 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.864 -0.153 . . . . 10.0 111.242 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 31.7 ttm180 -64.87 -32.78 74.64 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.629 -0.508 . . . . 10.0 109.629 178.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -64.54 -45.78 85.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.97 -0.559 . . . . 10.0 109.543 178.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 282' ' ' GLU . . . . . 0.465 ' HG3' ' O ' ' A' ' 278' ' ' PRO . 90.1 mt-10 -65.11 -40.98 95.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.558 -0.746 . . . . 10.0 109.615 178.659 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 84.7 mt -67.27 -32.84 74.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.98 -0.554 . . . . 10.0 110.61 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 -72.48 -50.2 27.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 10.0 109.887 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -63.63 -43.32 97.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 10.0 109.695 178.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -61.12 -41.72 99.56 Favored Glycine 0 N--CA 1.445 -0.766 0 N-CA-C 110.522 -1.031 . . . . 10.0 110.522 178.448 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -63.9 -45.77 87.86 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 109.27 -0.641 . . . . 10.0 109.27 178.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 288' ' ' ARG . . . . . 0.724 ' O ' ' HB2' ' A' ' 292' ' ' HIS . 62.5 mtt180 -55.92 -47.95 76.57 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.648 179.413 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 7.5 tm0? -66.26 -53.04 41.62 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.897 0.332 . . . . 10.0 111.897 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 290' ' ' LYS . . . . . 0.45 ' O ' ' HG ' ' A' ' 294' ' ' LEU . 70.5 mttt -60.89 -47.0 88.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.389 -0.369 . . . . 10.0 111.976 -179.13 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 291' ' ' LEU . . . . . 0.427 HD23 HD12 ' A' ' 294' ' ' LEU . 97.0 mt -67.05 -31.46 71.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.503 -0.317 . . . . 10.0 110.418 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 292' ' ' HIS . . . . . 0.724 ' HB2' ' O ' ' A' ' 288' ' ' ARG . 1.0 OUTLIER -64.26 -45.05 89.78 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 109.436 -0.579 . . . . 10.0 109.436 179.07 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.99 -36.55 81.82 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.691 -0.686 . . . . 10.0 109.632 178.802 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 294' ' ' LEU . . . . . 0.455 ' O ' ' HG ' ' A' ' 298' ' ' LEU . 77.1 mt -67.54 -41.91 83.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.911 -0.586 . . . . 10.0 109.635 178.357 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -64.68 -36.08 83.13 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.593 -0.521 . . . . 10.0 109.593 178.603 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -67.2 -10.79 54.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.349 -0.841 . . . . 10.0 110.406 179.025 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 297' ' ' LYS . . . . . 0.401 ' HB3' HD12 ' A' ' 301' ' ' LEU . 22.9 mmtp -109.06 -32.46 7.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.179 178.411 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 298' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 294' ' ' LEU . 66.0 mt -61.08 -30.39 70.31 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.118 -0.492 . . . . 10.0 111.527 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 299' ' ' SER . . . . . 0.448 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 12.9 m -75.66 -63.01 0.7 Allowed Pre-proline 0 C--N 1.324 -0.511 0 CA-C-O 119.304 -0.379 . . . . 10.0 111.877 179.433 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 300' ' ' PRO . . . . . 0.448 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 32.2 Cg_endo -63.42 -53.11 1.56 Allowed 'Trans proline' 0 C--N 1.358 1.046 0 C-N-CA 121.884 1.723 . . . . 10.0 112.401 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 301' ' ' LEU . . . . . 0.623 ' HB3' ' HE3' ' D' ' 473' ' ' LYS . 85.0 mt -65.93 -28.12 68.69 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-O 120.866 0.365 . . . . 10.0 110.061 179.719 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 302' ' ' GLY . . . . . 0.49 ' O ' ' HG3' ' A' ' 306' ' ' ARG . . . -68.84 -55.58 10.88 Favored Glycine 0 N--CA 1.448 -0.516 0 N-CA-C 110.989 -0.844 . . . . 10.0 110.989 178.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -60.07 -40.17 88.57 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.417 -0.586 . . . . 10.0 109.417 178.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -59.18 -47.39 85.5 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.347 -0.842 . . . . 10.0 109.744 178.646 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 12.8 tpt -63.88 -42.65 97.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.282 178.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 306' ' ' ARG . . . . . 0.49 ' HG3' ' O ' ' A' ' 302' ' ' GLY . 77.5 mtt180 -60.04 -52.3 65.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.885 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 307' ' ' ASP . . . . . 0.768 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 5.4 t70 -63.33 -38.91 92.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.421 -0.354 . . . . 10.0 111.021 -179.691 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 308' ' ' ARG . . . . . 0.521 ' HG3' HD21 ' D' ' 469' ' ' LEU . 21.6 mmt180 -68.15 -36.82 80.27 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.458 -0.337 . . . . 10.0 110.109 178.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -64.97 -38.06 89.72 Favored 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 108.905 -0.776 . . . . 10.0 108.905 178.157 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 310' ' ' ARG . . . . . 0.768 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 90.6 mtt180 -59.32 -43.79 92.65 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.481 -0.781 . . . . 10.0 109.261 178.099 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -68.04 -40.6 82.84 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.96 -0.564 . . . . 10.0 109.912 179.043 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -56.61 -52.48 64.69 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.673 -0.694 . . . . 10.0 110.089 179.125 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 24.6 t -74.05 -29.74 26.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.749 -0.66 . . . . 10.0 111.423 -179.349 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -62.52 -47.81 82.27 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.906 0.384 . . . . 10.0 110.322 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -64.88 -37.64 88.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.789 -0.641 . . . . 10.0 109.688 178.745 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 316' ' ' LEU . . . . . 0.408 ' O ' ' HG ' ' A' ' 320' ' ' LEU . 52.5 mt -66.98 -42.76 84.55 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-N 115.68 -0.691 . . . . 10.0 110.421 179.062 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 317' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' ' 317' ' ' ARG . 23.2 ttm105 -64.1 -47.38 80.28 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.948 -0.39 . . . . 10.0 109.948 179.255 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 26.5 m -62.52 -29.17 70.36 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.25 179.426 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -82.85 -39.97 20.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.506 179.314 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 320' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 316' ' ' LEU . 32.4 mt -66.12 -31.29 72.07 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.322 0.49 . . . . 10.0 112.322 -179.564 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 321' ' ' ALA . . . . . 0.43 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -51.8 -60.99 4.87 Favored Pre-proline 0 CA--C 1.54 0.591 0 N-CA-C 112.169 0.433 . . . . 10.0 112.169 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 322' ' ' PRO . . . . . 0.479 ' O ' ' HG3' ' A' ' 326' ' ' GLU . 54.1 Cg_endo -71.74 -31.57 12.91 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 121.748 1.632 . . . . 10.0 111.254 178.797 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 10.1 m-30 -61.68 -50.13 73.73 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-N 116.691 -0.231 . . . . 10.0 110.742 179.59 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 27.3 p -64.59 -37.52 87.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.899 0.381 . . . . 10.0 110.337 179.442 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.41 -43.95 97.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 10.0 110.36 179.029 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 326' ' ' GLU . . . . . 0.479 ' HG3' ' O ' ' A' ' 322' ' ' PRO . 31.6 mt-10 -75.1 -27.12 59.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.27 179.091 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 23.5 mt -66.11 -34.18 77.48 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 108.369 -0.974 . . . . 10.0 108.369 177.457 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 62.9 mtt180 -68.74 -35.68 77.42 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 108.646 -0.872 . . . . 10.0 108.646 177.572 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -65.26 -42.05 93.63 Favored 'General case' 0 CA--C 1.521 -0.168 0 N-CA-C 108.574 -0.899 . . . . 10.0 108.574 177.491 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 330' ' ' ARG . . . . . 0.488 ' O ' ' HG2' ' A' ' 334' ' ' ARG . 79.2 mtt180 -60.39 -52.15 66.45 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.117 -0.947 . . . . 10.0 108.516 177.654 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 331' ' ' LEU . . . . . 0.575 ' O ' ' HG ' ' A' ' 335' ' ' LEU . 67.6 mt -55.57 -43.8 76.27 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 115.646 -0.707 . . . . 10.0 110.304 179.038 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -59.21 -50.72 72.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.018 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -59.8 -41.94 92.32 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.332 -0.395 . . . . 10.0 110.482 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 334' ' ' ARG . . . . . 0.488 ' HG2' ' O ' ' A' ' 330' ' ' ARG . 26.3 mmt180 -63.51 -50.12 70.85 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.777 -0.647 . . . . 10.0 109.748 179.23 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 335' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' A' ' 331' ' ' LEU . 73.2 mt -61.93 -39.29 91.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 10.0 111.394 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -62.23 -50.44 71.76 Favored 'General case' 0 CA--C 1.519 -0.223 0 N-CA-C 109.769 -0.456 . . . . 10.0 109.769 179.049 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -62.49 -42.78 99.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.035 -0.53 . . . . 10.0 109.922 179.243 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 338' ' ' LEU . . . . . 0.44 ' O ' ' HA3' ' A' ' 342' ' ' GLY . 84.6 mt -63.18 -24.37 67.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.71 -0.677 . . . . 10.0 111.928 179.722 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -88.03 -47.42 8.54 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.48 0.181 . . . . 10.0 110.829 179.329 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -63.28 -52.92 60.06 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.228 0.537 . . . . 10.0 109.99 178.74 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -71.92 -34.33 68.99 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.576 -0.738 . . . . 10.0 109.957 179.13 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 342' ' ' GLY . . . . . 0.44 ' HA3' ' O ' ' A' ' 338' ' ' LEU . . . -64.31 -42.5 97.75 Favored Glycine 0 N--CA 1.452 -0.291 0 CA-C-N 115.749 -0.659 . . . . 10.0 111.883 179.638 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -61.66 -40.98 99.5 Favored Glycine 0 N--CA 1.448 -0.56 0 N-CA-C 110.657 -0.977 . . . . 10.0 110.657 178.709 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -63.33 -42.83 99.0 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.426 -0.583 . . . . 10.0 109.426 178.548 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 59.0 mtm180 -64.74 -39.72 94.1 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.259 179.059 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 60.1 mt -62.41 -47.95 81.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.07 -0.513 . . . . 10.0 110.717 179.328 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.61 -45.86 90.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.032 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -63.32 -47.03 83.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.694 -0.684 . . . . 10.0 110.683 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -62.17 -34.96 77.4 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.007 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -67.02 -46.22 75.14 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.007 -0.542 . . . . 10.0 109.614 178.551 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -63.22 -44.48 95.14 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 115.801 -0.636 . . . . 10.0 110.295 179.317 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 12.9 mttm -63.28 -37.43 87.21 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.609 179.322 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -61.41 -44.71 96.66 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.669 -0.493 . . . . 10.0 109.669 179.032 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 1.5 m -65.05 -34.96 79.68 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.034 -0.53 . . . . 10.0 109.95 178.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -62.69 -45.65 91.81 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 109.283 -0.636 . . . . 10.0 109.283 178.449 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 356' ' ' HIS . . . . . 0.475 ' O ' ' HB2' ' A' ' 360' ' ' LEU . 61.9 m-70 -67.99 -35.84 79.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.457 -0.792 . . . . 10.0 110.031 179.451 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 59.3 mt -64.79 -41.92 95.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 10.0 111.074 179.375 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 46.6 m -61.38 -45.68 93.37 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.842 0.353 . . . . 10.0 110.806 179.43 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 1.1 p -73.53 -27.61 61.44 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-O 121.073 0.463 . . . . 10.0 109.877 179.152 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 360' ' ' LEU . . . . . 0.746 HD12 ' HD2' ' A' ' 363' ' ' LYS . 13.9 tp -68.58 -30.64 69.44 Favored 'General case' 0 C--O 1.224 -0.278 0 N-CA-C 109.098 -0.705 . . . . 10.0 109.098 178.352 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 51.0 m -65.99 -29.53 69.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.58 -0.736 . . . . 10.0 109.548 178.441 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -70.18 -20.87 63.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.551 0.691 . . . . 10.0 109.213 178.155 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 363' ' ' LYS . . . . . 0.746 ' HD2' HD12 ' A' ' 360' ' ' LEU . 90.1 mttt -91.22 -34.62 14.91 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.355 -0.839 . . . . 10.0 109.254 178.748 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 364' ' ' ALA . . . . . 0.5 ' HA ' HD12 ' A' ' 368' ' ' LEU . . . -74.49 -38.89 62.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.609 -0.723 . . . . 10.0 112.519 -179.206 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 365' ' ' LYS . . . . . 0.999 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 91.6 mttt -94.71 -76.49 0.03 OUTLIER Pre-proline 0 CA--C 1.536 0.429 0 N-CA-C 112.895 0.702 . . . . 10.0 112.895 -179.54 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 366' ' ' PRO . . . . . 0.999 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 31.3 Cg_exo -59.9 -53.15 3.43 Favored 'Trans proline' 0 C--N 1.359 1.104 0 C-N-CA 122.572 2.182 . . . . 10.0 113.72 -178.576 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 367' ' ' ALA . . . . . 0.721 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -59.37 -56.77 17.8 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.245 0.461 . . . . 10.0 112.245 -178.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 368' ' ' LEU . . . . . 0.5 HD12 ' HA ' ' A' ' 364' ' ' ALA . 13.0 mt -58.27 -40.07 80.88 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 112.147 0.425 . . . . 10.0 112.147 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.81 -51.11 71.14 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 123.139 0.274 . . . . 10.0 110.294 179.41 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -64.78 -31.64 72.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.334 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 371' ' ' LEU . . . . . 0.507 ' O ' ' HG ' ' A' ' 375' ' ' LEU . 42.1 mt -65.48 -44.67 86.38 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.968 -0.753 . . . . 10.0 108.968 178.262 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 372' ' ' ARG . . . . . 0.427 ' HG3' ' O ' ' A' ' 368' ' ' LEU . 58.7 mtt180 -63.59 -43.62 96.4 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.96 -0.564 . . . . 10.0 109.697 178.763 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -66.25 -26.46 67.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.387 -0.824 . . . . 10.0 111.084 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -86.9 -33.74 12.07 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 121.132 -0.556 . . . . 10.0 111.94 179.315 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 375' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 371' ' ' LEU . 73.5 mt -71.85 -37.18 70.28 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.684 0.253 . . . . 10.0 111.684 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 25.1 mt -50.47 -58.41 9.99 Favored Pre-proline 0 CA--C 1.537 0.476 0 N-CA-C 113.322 0.86 . . . . 10.0 113.322 -179.676 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -62.88 -26.65 74.58 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 122.068 1.845 . . . . 10.0 111.548 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 41.1 t -69.83 -46.78 73.09 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 N-CA-C 108.579 -0.897 . . . . 10.0 108.579 178.565 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 379' ' ' LEU . . . . . 0.507 ' O ' ' HG3' ' A' ' 383' ' ' LYS . 52.0 mt -63.16 -34.9 78.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.41 -0.814 . . . . 10.0 109.277 178.591 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -60.32 -48.4 81.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.677 -0.692 . . . . 10.0 109.894 178.642 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 1.2 p -66.55 -35.04 79.26 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 120.983 0.42 . . . . 10.0 109.932 179.097 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -64.82 -33.28 75.62 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-N 115.759 -0.655 . . . . 10.0 110.765 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 383' ' ' LYS . . . . . 0.507 ' HG3' ' O ' ' A' ' 379' ' ' LEU . 97.5 mttt -59.02 -43.48 91.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.086 0.47 . . . . 10.0 109.789 179.192 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 21.2 t -63.85 -41.57 92.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.757 -0.656 . . . . 10.0 109.538 179.342 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 4.2 m -65.1 -43.89 90.58 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.815 -0.629 . . . . 10.0 110.937 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -64.5 -49.7 70.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 10.0 111.095 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 387' ' ' LEU . . . . . 0.519 ' O ' ' HG3' ' A' ' 391' ' ' GLU . 95.3 mt -61.31 -44.68 96.8 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.056 -0.52 . . . . 10.0 112.365 -179.337 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 388' ' ' SER . . . . . 0.589 ' HB2' ' HE2' ' D' ' 594' ' ' LYS . 11.7 p -61.86 -40.79 96.6 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.61 -0.268 . . . . 10.0 111.058 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -60.51 -43.01 97.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.13 179.225 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 81.9 mt -59.31 -41.34 88.83 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.464 -0.789 . . . . 10.0 109.776 179.029 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 391' ' ' GLU . . . . . 0.519 ' HG3' ' O ' ' A' ' 387' ' ' LEU . 35.5 mt-10 -66.06 -45.63 80.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.559 -0.746 . . . . 10.0 110.128 179.037 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -60.16 -47.57 85.38 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.09 -0.504 . . . . 10.0 112.042 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -59.61 -43.54 93.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.693 0.282 . . . . 10.0 111.315 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 7.2 m -71.01 -31.98 68.63 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.344 0.498 . . . . 10.0 112.344 -179.276 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -79.12 -36.55 40.44 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.137 0.421 . . . . 10.0 112.137 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 396' ' ' LYS . . . . . 0.712 ' HE2' ' HA ' ' D' ' 587' ' ' ALA . 14.7 mptt -91.92 -39.13 11.87 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 114.318 1.229 . . . . 10.0 114.318 -177.75 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 95.9 mt -105.16 16.35 25.93 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.86 0.689 . . . . 10.0 112.86 -177.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 45.4 t30 . . . . . 0 C--N 1.324 -0.529 0 CA-C-N 116.786 -0.188 . . . . 10.0 110.88 179.353 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 2.6 mm? . . . . . 0 CA--C 1.517 -0.293 0 CA-C-O 121.293 0.568 . . . . 10.0 109.872 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -115.76 28.05 8.9 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.244 -0.889 . . . . 10.0 109.76 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 92.7 mt -63.89 -32.58 74.15 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.792 -0.64 . . . . 10.0 111.175 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 23.0 mt -70.37 -34.45 72.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.944 0.402 . . . . 10.0 109.938 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -63.5 -53.86 45.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.63 -0.713 . . . . 10.0 110.737 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -66.05 -37.92 87.05 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.881 -0.599 . . . . 10.0 111.649 -179.54 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 17.2 t90 -62.59 -41.77 99.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.388 -0.369 . . . . 10.0 110.512 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -60.6 -31.84 70.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.288 -0.415 . . . . 10.0 110.577 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 2.0 m -65.48 -46.09 81.12 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.238 -0.652 . . . . 10.0 109.238 178.632 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 17.4 t -63.76 -37.58 80.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.852 -0.613 . . . . 10.0 109.629 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 27.3 m -62.37 -42.9 99.78 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.92 -0.582 . . . . 10.0 109.431 178.653 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 18.9 m -62.63 -41.47 99.03 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.833 -0.621 . . . . 10.0 109.703 178.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 411' ' ' THR . . . . . 0.567 ' O ' ' HG ' ' D' ' 415' ' ' LEU . 16.8 m -61.31 -45.02 96.18 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 115.671 -0.695 . . . . 10.0 110.249 178.85 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -58.74 -45.03 90.61 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.196 -0.456 . . . . 10.0 109.899 178.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 413' ' ' SER . . . . . 0.509 ' O ' ' HG3' ' D' ' 417' ' ' GLU . 4.6 m -60.67 -42.8 97.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.737 -0.665 . . . . 10.0 109.832 178.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 34.5 mmtt -62.42 -34.72 77.31 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.054 178.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 415' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' D' ' 411' ' ' THR . 92.2 mt -66.48 -40.12 89.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.008 -0.542 . . . . 10.0 109.583 179.152 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 416' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' D' ' 416' ' ' ARG . 28.7 mtt180 -67.36 -34.93 78.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.62 179.492 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 417' ' ' GLU . . . . . 0.509 ' HG3' ' O ' ' D' ' 413' ' ' SER . 42.8 mt-10 -65.74 -25.19 67.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 10.0 109.801 178.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -86.32 -53.53 4.96 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 108.722 -0.844 . . . . 10.0 108.722 178.16 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 72.1 mt -47.81 -38.42 15.84 Favored 'General case' 0 CA--C 1.522 -0.13 0 CA-C-N 115.352 -0.84 . . . . 10.0 112.578 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 420' ' ' GLY . . . . . 0.489 ' O ' ' HG3' ' D' ' 424' ' ' GLN . . . -53.1 -77.5 0.14 Allowed Glycine 0 CA--C 1.522 0.479 0 O-C-N 123.553 0.533 . . . . 10.0 112.339 179.63 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 421' ' ' PRO . . . . . 0.542 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 34.2 Cg_exo -61.62 -36.35 76.02 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.737 2.291 . . . . 10.0 112.056 179.692 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 4.9 t -56.14 -49.54 75.45 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.36 0 CA-C-N 116.552 -0.295 . . . . 10.0 111.559 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 22.9 p -65.48 -32.87 74.71 Favored 'General case' 0 C--O 1.226 -0.15 0 C-N-CA 120.893 -0.323 . . . . 10.0 111.652 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 424' ' ' GLN . . . . . 0.489 ' HG3' ' O ' ' D' ' 420' ' ' GLY . 68.0 mt-30 -64.59 -53.81 41.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.877 0.37 . . . . 10.0 110.132 179.327 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 425' ' ' GLU . . . . . 0.542 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 10.2 pt-20 -70.2 -30.09 67.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.31 -0.405 . . . . 10.0 110.614 179.502 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 426' ' ' PHE . . . . . 0.495 ' O ' ' HG ' ' D' ' 430' ' ' LEU . 17.6 t80 -67.87 -41.18 83.24 Favored 'General case' 0 C--O 1.221 -0.412 0 N-CA-C 109.191 -0.67 . . . . 10.0 109.191 178.347 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 2.6 m0 -64.57 -42.96 95.32 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.086 -0.709 . . . . 10.0 109.086 178.622 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 428' ' ' ASP . . . . . 0.465 ' O ' ' HG3' ' D' ' 432' ' ' LYS . 29.0 t70 -64.71 -36.15 83.36 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.062 -0.718 . . . . 10.0 109.062 178.291 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -65.98 -42.53 89.71 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.642 -0.874 . . . . 10.0 108.642 177.769 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 430' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' D' ' 426' ' ' PHE . 85.6 mt -60.18 -37.96 81.78 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-N 115.486 -0.779 . . . . 10.0 108.951 178.143 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -62.46 -40.62 97.22 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 115.69 -0.687 . . . . 10.0 109.42 178.146 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 432' ' ' LYS . . . . . 0.465 ' HG3' ' O ' ' D' ' 428' ' ' ASP . 54.7 mttp -65.94 -38.38 88.49 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.695 -0.854 . . . . 10.0 108.695 178.376 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -67.51 -52.76 35.21 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.702 -0.681 . . . . 10.0 111.209 179.223 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 7.2 p -59.94 -49.92 75.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.593 0.235 . . . . 10.0 111.068 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -64.94 -37.52 87.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.781 0.324 . . . . 10.0 110.975 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -66.61 -47.14 70.65 Favored Glycine 0 C--O 1.227 -0.303 0 N-CA-C 110.889 -0.884 . . . . 10.0 110.889 178.479 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 90.8 mt -64.65 -35.47 81.14 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 109.95 -0.389 . . . . 10.0 109.95 179.164 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 438' ' ' ARG . . . . . 0.567 ' HA ' ' HB2' ' D' ' 441' ' ' MET . 78.3 mtt180 -64.6 -30.74 71.77 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.193 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -64.41 -41.23 96.74 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.601 -0.518 . . . . 10.0 109.601 179.031 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -77.74 -37.13 49.95 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.119 -0.697 . . . . 10.0 109.119 178.498 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 441' ' ' MET . . . . . 0.567 ' HB2' ' HA ' ' D' ' 438' ' ' ARG . 57.9 mmm -61.5 -46.02 91.77 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 115.511 -0.768 . . . . 10.0 112.333 -179.506 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 2.3 p -57.98 -46.62 84.87 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-O 121.072 0.463 . . . . 10.0 110.307 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -66.67 -44.22 82.41 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.668 -0.696 . . . . 10.0 110.203 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 444' ' ' ASP . . . . . 0.574 ' O ' ' HB ' ' D' ' 448' ' ' VAL . 2.4 t70 -61.4 -44.9 96.35 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.819 -179.757 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 445' ' ' LEU . . . . . 0.578 ' O ' HG12 ' D' ' 448' ' ' VAL . 56.1 mt -67.08 -43.07 83.55 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.199 0.444 . . . . 10.0 112.199 -179.507 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -71.82 -45.95 59.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.025 0.441 . . . . 10.0 111.251 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 447' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.73 -28.19 67.44 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.991 -0.55 . . . . 10.0 111.614 -179.6 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 448' ' ' VAL . . . . . 0.578 HG12 ' O ' ' D' ' 445' ' ' LEU . 0.5 OUTLIER -65.09 -28.17 44.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 C-N-CA 120.976 -0.29 . . . . 10.0 110.71 179.355 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -67.19 -33.67 75.89 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.006 -0.738 . . . . 10.0 109.006 178.583 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -87.5 8.26 25.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.237 -0.892 . . . . 10.0 110.333 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 35.6 mmtm -118.56 -52.24 2.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.821 178.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 452' ' ' VAL . . . . . 0.53 HG23 HG22 ' D' ' 448' ' ' VAL . 78.5 t -60.45 -43.87 95.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.917 -0.583 . . . . 10.0 111.13 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -55.31 -61.53 5.88 Favored Pre-proline 0 CA--C 1.54 0.561 0 N-CA-C 112.153 0.427 . . . . 10.0 112.153 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 454' ' ' PRO . . . . . 0.427 ' HA ' ' HB3' ' D' ' 457' ' ' ASP . 36.7 Cg_endo -67.44 -30.34 36.33 Favored 'Trans proline' 0 C--N 1.355 0.918 0 C-N-CA 122.145 1.897 . . . . 10.0 112.758 179.751 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 455' ' ' TYR . . . . . 0.44 ' O ' ' HB2' ' D' ' 459' ' ' PHE . 12.1 t80 -67.02 -49.83 64.01 Favored 'General case' 0 CA--C 1.521 -0.143 0 N-CA-C 109.761 -0.459 . . . . 10.0 109.761 179.311 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 21.6 mt -66.96 -33.83 76.43 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.542 -0.54 . . . . 10.0 109.542 178.584 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 457' ' ' ASP . . . . . 0.427 ' HB3' ' HA ' ' D' ' 454' ' ' PRO . 11.9 t70 -62.03 -55.32 30.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.767 -0.651 . . . . 10.0 110.009 178.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -64.25 -35.57 81.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.475 179.403 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 459' ' ' PHE . . . . . 0.44 ' HB2' ' O ' ' D' ' 455' ' ' TYR . 0.2 OUTLIER -64.56 -47.86 77.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.07 -0.513 . . . . 10.0 109.95 178.842 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -61.99 -37.67 85.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.092 -0.504 . . . . 10.0 110.1 179.236 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -62.73 -42.68 99.78 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.995 -0.548 . . . . 10.0 109.546 178.212 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.86 -33.92 74.6 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.663 -0.699 . . . . 10.0 109.52 178.473 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 38.9 m0 -66.26 -42.18 88.88 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 109.301 -0.629 . . . . 10.0 109.301 178.016 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -63.03 -47.5 82.74 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 108.975 -0.75 . . . . 10.0 108.975 178.449 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 465' ' ' GLU . . . . . 0.471 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 40.2 mt-10 -54.88 -52.17 63.67 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.617 -0.719 . . . . 10.0 109.74 178.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 466' ' ' GLU . . . . . 0.45 ' HG3' ' CE2' ' D' ' 470' ' ' TYR . 4.3 tp10 -62.79 -41.54 99.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.431 -0.804 . . . . 10.0 111.231 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 45.1 ttm -61.31 -44.59 96.96 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.817 0.341 . . . . 10.0 110.439 179.111 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -65.81 -39.13 90.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.951 -0.568 . . . . 10.0 109.614 178.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 469' ' ' LEU . . . . . 0.521 HD21 ' HG3' ' A' ' 308' ' ' ARG . 84.7 mt -64.11 -41.66 97.18 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.661 -0.7 . . . . 10.0 109.469 178.799 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 470' ' ' TYR . . . . . 0.45 ' CE2' ' HG3' ' D' ' 466' ' ' GLU . 11.6 m-30 -68.16 -29.35 68.21 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 110.042 -0.355 . . . . 10.0 110.042 178.859 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -72.61 -16.97 61.72 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.466 -0.568 . . . . 10.0 109.466 177.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -112.82 6.01 17.78 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.027 179.305 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 473' ' ' LYS . . . . . 0.623 ' HE3' ' HB3' ' A' ' 301' ' ' LEU . 47.7 mttp -125.04 -65.78 1.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.78 -0.646 . . . . 10.0 110.436 179.702 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 60.8 t -63.25 -40.76 90.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.028 -0.533 . . . . 10.0 111.091 -179.301 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -57.91 -59.89 11.73 Favored Pre-proline 0 CA--C 1.531 0.247 0 N-CA-C 112.249 0.462 . . . . 10.0 112.249 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -63.15 -36.5 57.8 Favored 'Trans proline' 0 C--N 1.354 0.86 0 C-N-CA 121.574 1.516 . . . . 10.0 110.824 178.496 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 11.1 mt -60.97 -37.68 83.26 Favored 'General case' 0 C--O 1.223 -0.306 0 N-CA-C 109.617 -0.512 . . . . 10.0 109.617 178.479 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 24.3 mtt180 -60.09 -36.02 76.47 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 109.418 -0.586 . . . . 10.0 109.418 178.709 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -73.53 -43.27 60.39 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.661 -0.7 . . . . 10.0 110.18 179.192 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.74 -43.33 96.79 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.642 -0.503 . . . . 10.0 109.642 178.434 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 66.2 mt -68.94 -30.95 69.5 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-N 115.948 -0.569 . . . . 10.0 109.765 178.619 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -64.4 -49.47 71.43 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.125 -0.694 . . . . 10.0 109.125 178.541 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -66.1 -41.44 90.59 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.944 -0.571 . . . . 10.0 109.53 178.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -62.2 -43.48 99.05 Favored Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 111.512 -0.635 . . . . 10.0 111.512 179.039 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -68.08 -39.54 82.9 Favored 'General case' 0 CA--C 1.517 -0.312 0 N-CA-C 109.907 -0.405 . . . . 10.0 109.907 179.283 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 -64.6 -42.82 95.32 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 109.641 -0.503 . . . . 10.0 109.641 178.553 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -65.52 -43.45 90.02 Favored 'General case' 0 C--O 1.221 -0.412 0 N-CA-C 109.235 -0.654 . . . . 10.0 109.235 178.58 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -63.29 -39.0 93.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.099 178.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 18.8 mt -62.48 -45.46 92.92 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.023 -0.732 . . . . 10.0 109.023 178.34 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 16.7 t-160 -62.27 -48.49 79.7 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.992 -0.744 . . . . 10.0 108.992 178.485 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -55.07 -47.12 75.31 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.297 179.036 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 492' ' ' LEU . . . . . 0.483 ' O ' ' HG ' ' D' ' 496' ' ' LEU . 12.9 mt -68.14 -40.94 82.31 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 116.08 -0.509 . . . . 10.0 111.513 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -63.58 -31.62 72.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.815 0.341 . . . . 10.0 111.334 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -76.48 1.86 15.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.246 0.546 . . . . 10.0 110.307 178.514 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 495' ' ' LYS . . . . . 0.628 ' HE3' HD22 ' A' ' 279' ' ' LEU . 27.5 mttp -120.55 -38.34 2.89 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.547 -0.751 . . . . 10.0 109.54 178.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 496' ' ' LEU . . . . . 0.539 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 96.1 mt -62.84 -22.87 66.98 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 115.963 -0.562 . . . . 10.0 111.433 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 497' ' ' SER . . . . . 0.465 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 19.8 m -83.17 -63.22 0.26 Allowed Pre-proline 0 CA--C 1.541 0.6 0 CA-C-N 116.62 -0.264 . . . . 10.0 111.467 178.674 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 498' ' ' PRO . . . . . 0.465 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 31.8 Cg_endo -63.38 -48.75 5.47 Favored 'Trans proline' 0 C--N 1.357 0.976 0 C-N-CA 122.092 1.861 . . . . 10.0 111.971 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 499' ' ' LEU . . . . . 0.453 ' HB2' ' O ' ' D' ' 495' ' ' LYS . 46.1 mt -76.22 -29.36 57.55 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 116.714 -0.221 . . . . 10.0 110.765 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 500' ' ' GLY . . . . . 0.539 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -64.49 -50.11 61.17 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.577 -0.82 . . . . 10.0 111.113 179.558 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -70.68 -31.23 68.05 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 178.655 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 502' ' ' GLU . . . . . 0.469 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 33.9 tt0 -65.62 -47.39 75.8 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.627 -0.715 . . . . 10.0 109.895 178.817 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 503' ' ' MET . . . . . 0.411 ' HA ' ' HD2' ' D' ' 506' ' ' ARG . 79.6 mmm -60.25 -37.64 81.02 Favored 'General case' 0 CA--C 1.52 -0.2 0 N-CA-C 109.575 -0.528 . . . . 10.0 109.575 178.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -68.29 -40.35 81.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.615 178.709 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 505' ' ' ASP . . . . . 0.935 ' HA ' ' HD2' ' D' ' 508' ' ' ARG . 6.8 t70 -66.58 -36.39 82.51 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.73 -0.47 . . . . 10.0 109.73 178.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 506' ' ' ARG . . . . . 0.469 ' HG3' ' O ' ' D' ' 502' ' ' GLU . 63.6 mtt180 -63.86 -48.33 77.17 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 107.333 -1.358 . . . . 10.0 107.333 177.13 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -58.57 -38.27 77.53 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 114.972 -1.013 . . . . 10.0 109.803 178.695 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 508' ' ' ARG . . . . . 0.935 ' HD2' ' HA ' ' D' ' 505' ' ' ASP . 92.9 mtt180 -59.4 -46.58 88.3 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 109.246 -0.65 . . . . 10.0 109.246 178.347 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 509' ' ' ALA . . . . . 0.847 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -63.33 -38.21 90.26 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.455 -0.793 . . . . 10.0 111.191 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 510' ' ' HIS . . . . . 0.569 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 84.4 m-70 -72.31 -45.38 60.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.456 -0.338 . . . . 10.0 110.257 179.061 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 39.8 t -63.07 -42.06 95.19 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.084 179.501 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 512' ' ' ASP . . . . . 0.546 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 17.8 t70 -66.88 -35.35 79.82 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-N 116.075 -0.511 . . . . 10.0 109.909 179.341 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -62.55 -43.15 99.51 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.82 -0.807 . . . . 10.0 108.82 178.372 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 514' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' D' ' 510' ' ' HIS . 83.4 mt -61.25 -25.31 67.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.708 -0.678 . . . . 10.0 110.471 179.337 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 515' ' ' ARG . . . . . 0.546 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 78.0 mtt180 -68.57 -30.01 68.69 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.586 -0.524 . . . . 10.0 109.586 178.794 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.78 -17.02 17.89 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.403 179.368 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 33.8 m170 -97.18 -78.31 0.48 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.034 -0.53 . . . . 10.0 111.53 -179.214 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 39.2 mt -60.15 -45.29 93.56 Favored 'General case' 0 C--O 1.232 0.147 0 N-CA-C 113.586 0.958 . . . . 10.0 113.586 -178.059 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 519' ' ' ALA . . . . . 0.729 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -52.84 -61.6 4.52 Favored Pre-proline 0 CA--C 1.535 0.4 0 N-CA-C 112.893 0.701 . . . . 10.0 112.893 -178.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 520' ' ' PRO . . . . . 0.729 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 24.1 Cg_exo -65.6 -40.07 19.12 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 121.782 1.655 . . . . 10.0 111.515 179.044 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -59.05 -40.64 85.73 Favored 'General case' 0 C--O 1.226 -0.15 0 CA-C-N 116.501 -0.318 . . . . 10.0 111.694 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 522' ' ' SER . . . . . 0.439 ' O ' ' HG3' ' D' ' 526' ' ' ARG . 78.0 p -62.7 -36.01 81.55 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.919 -0.312 . . . . 10.0 110.875 179.685 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 523' ' ' ASP . . . . . 0.537 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 18.5 t70 -72.3 -39.81 67.98 Favored 'General case' 0 CA--C 1.52 -0.176 0 N-CA-C 109.879 -0.415 . . . . 10.0 109.879 178.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -65.62 -32.89 74.7 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 108.66 -0.867 . . . . 10.0 108.66 178.067 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 525' ' ' LEU . . . . . 0.533 HD23 ' HD2' ' D' ' 528' ' ' ARG . 0.6 OUTLIER -71.71 -31.35 66.64 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 114.983 -1.008 . . . . 10.0 109.039 177.941 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 526' ' ' ARG . . . . . 0.537 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 64.2 mtt180 -61.96 -34.66 76.54 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 116.125 -0.488 . . . . 10.0 109.744 178.743 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -64.27 -40.78 96.68 Favored 'General case' 0 C--N 1.333 -0.109 0 N-CA-C 109.004 -0.739 . . . . 10.0 109.004 178.51 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 528' ' ' ARG . . . . . 0.55 ' HD3' ' HB2' ' A' ' 246' ' ' ASP . 67.3 mtt180 -68.61 -42.95 77.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.248 -0.887 . . . . 10.0 108.93 178.815 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 96.5 mt -62.57 -40.06 95.65 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-N 115.712 -0.676 . . . . 10.0 109.898 178.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -62.99 -44.46 95.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.887 -0.597 . . . . 10.0 109.812 178.591 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -63.53 -42.31 98.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.025 -0.534 . . . . 10.0 109.668 178.698 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 18.0 ttm180 -65.47 -42.89 91.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.747 -0.66 . . . . 10.0 110.038 179.304 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 58.9 mt -66.93 -36.39 82.15 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.696 -0.483 . . . . 10.0 109.696 179.085 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -61.94 -47.34 85.31 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.633 -0.877 . . . . 10.0 108.633 178.091 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -63.72 -40.85 97.76 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.462 -0.79 . . . . 10.0 109.278 178.396 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 13.3 mt -60.67 -35.6 76.64 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.804 -0.635 . . . . 10.0 111.056 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -78.03 -43.17 30.16 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.957 0.408 . . . . 10.0 110.968 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -65.36 -50.32 66.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.537 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -73.23 -36.65 66.48 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.734 -0.469 . . . . 10.0 109.734 179.559 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -63.8 -43.9 97.01 Favored Glycine 0 N--CA 1.445 -0.715 0 CA-C-N 115.586 -0.734 . . . . 10.0 111.546 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -61.04 -39.19 96.73 Favored Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 110.594 -1.003 . . . . 10.0 110.594 178.691 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -67.5 -42.69 82.46 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 109.241 -0.651 . . . . 10.0 109.241 178.693 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 543' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' D' ' 543' ' ' ARG . 49.2 mtt180 -62.79 -41.84 99.45 Favored 'General case' 0 C--O 1.222 -0.381 0 CA-C-N 115.762 -0.654 . . . . 10.0 109.859 178.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 72.1 mt -59.74 -41.66 91.41 Favored 'General case' 0 CA--C 1.519 -0.227 0 N-CA-C 109.756 -0.461 . . . . 10.0 109.756 178.686 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -62.99 -47.0 85.01 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.771 -0.65 . . . . 10.0 109.345 178.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -61.88 -45.19 94.83 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.794 178.507 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -61.39 -43.7 98.41 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.41 -0.359 . . . . 10.0 110.735 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -66.4 -39.44 89.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.09 179.027 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -66.61 -45.06 80.37 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.611 -0.515 . . . . 10.0 109.611 179.203 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.79 -25.79 63.96 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.967 -0.561 . . . . 10.0 110.52 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -65.62 -42.45 91.55 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.759 -0.46 . . . . 10.0 109.759 178.733 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -65.45 -42.74 92.05 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 108.991 -0.744 . . . . 10.0 108.991 178.838 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -65.43 -43.0 91.86 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.859 -0.61 . . . . 10.0 109.974 179.256 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 27.2 t60 -60.19 -45.61 92.55 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 108.836 -0.802 . . . . 10.0 108.836 178.634 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 26.3 tp -64.29 -38.69 91.93 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 115.81 -0.632 . . . . 10.0 109.923 178.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 54.6 m -60.29 -44.38 95.43 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.414 179.157 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.09 -33.53 70.28 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.921 0.391 . . . . 10.0 110.712 178.728 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 48.5 mt -64.15 -51.64 62.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.118 -0.492 . . . . 10.0 109.976 179.038 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 4.9 m -66.3 -36.34 82.69 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 109.621 -0.511 . . . . 10.0 109.621 179.285 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -59.4 -35.14 73.39 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-N 115.586 -0.734 . . . . 10.0 110.23 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.21 -40.27 12.98 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.902 -0.59 . . . . 10.0 111.234 179.672 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -52.77 -44.51 66.59 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.57 0.582 . . . . 10.0 112.57 -179.162 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 563' ' ' LYS . . . . . 0.499 ' HB2' ' HD3' ' D' ' 564' ' ' PRO . 94.8 mttt -55.34 -63.59 2.92 Favored Pre-proline 0 CA--C 1.537 0.453 0 N-CA-C 112.813 0.672 . . . . 10.0 112.813 -179.447 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 564' ' ' PRO . . . . . 0.499 ' HD3' ' HB2' ' D' ' 563' ' ' LYS . 53.8 Cg_endo -69.65 -34.46 14.9 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 122.055 1.836 . . . . 10.0 112.969 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -63.88 -55.13 25.07 Favored 'General case' 0 CA--C 1.522 -0.11 0 C-N-CA 121.209 -0.196 . . . . 10.0 111.147 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 46.4 mt -59.06 -41.35 87.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.657 0.265 . . . . 10.0 110.794 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -64.69 -48.22 75.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.265 -0.425 . . . . 10.0 111.204 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.5 -37.87 89.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.727 0.299 . . . . 10.0 110.486 179.546 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 59.5 mt -62.87 -43.37 98.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.052 -0.522 . . . . 10.0 109.616 178.589 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 570' ' ' ARG . . . . . 0.456 ' O ' ' HG ' ' D' ' 574' ' ' LEU . 64.1 mtt180 -66.88 -49.62 65.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.22 -0.445 . . . . 10.0 110.522 178.852 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -62.93 -21.45 66.07 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.776 -0.647 . . . . 10.0 111.488 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -92.12 -43.44 4.38 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.68 -0.772 . . . . 10.0 111.199 178.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 21.4 mt -65.06 -37.38 87.38 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.276 0.472 . . . . 10.0 112.276 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 574' ' ' LEU . . . . . 0.514 ' O ' ' HG2' ' D' ' 578' ' ' GLU . 56.1 mt -51.62 -62.57 2.85 Favored Pre-proline 0 CA--C 1.535 0.386 0 N-CA-C 112.907 0.706 . . . . 10.0 112.907 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.51 -34.48 33.44 Favored 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 121.706 1.604 . . . . 10.0 111.909 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 24.9 t -64.77 -45.51 94.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.603 0.239 . . . . 10.0 110.656 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 63.1 mt -65.62 -40.92 93.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.494 -0.321 . . . . 10.0 110.584 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 578' ' ' GLU . . . . . 0.518 ' O ' HG23 ' D' ' 582' ' ' VAL . 23.4 mm-40 -61.79 -41.27 97.53 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.967 -0.382 . . . . 10.0 109.967 178.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 16.6 m -68.14 -38.55 82.3 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.892 -0.595 . . . . 10.0 109.707 178.582 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -60.87 -42.39 97.81 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.033 -0.531 . . . . 10.0 109.833 178.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -59.06 -37.38 76.91 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.231 178.677 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 582' ' ' VAL . . . . . 0.518 HG23 ' O ' ' D' ' 578' ' ' GLU . 52.3 t -64.42 -47.4 89.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 109.544 -0.539 . . . . 10.0 109.544 178.817 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 10.7 p -66.66 -30.82 71.17 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.987 179.099 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -70.74 -44.56 66.54 Favored 'General case' 0 CA--C 1.521 -0.146 0 N-CA-C 109.66 -0.496 . . . . 10.0 109.66 178.725 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 73.8 mt -59.04 -47.89 83.57 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.629 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 1.3 p -65.43 -33.59 76.3 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.542 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 587' ' ' ALA . . . . . 0.712 ' HA ' ' HE2' ' A' ' 396' ' ' LYS . . . -68.14 -47.75 67.24 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.679 -0.489 . . . . 10.0 109.679 178.763 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 99.2 mt -58.93 -47.59 84.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.859 -0.61 . . . . 10.0 110.589 179.302 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 589' ' ' GLU . . . . . 0.525 ' O ' ' HG3' ' D' ' 593' ' ' LYS . 3.9 mt-10 -56.89 -47.58 80.19 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.414 -0.357 . . . . 10.0 110.569 179.184 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 590' ' ' GLU . . . . . 0.494 ' HG3' ' NZ ' ' A' ' 396' ' ' LYS . 7.3 mm-40 -63.38 -46.14 87.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.92 -0.582 . . . . 10.0 111.161 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -60.62 -38.31 84.34 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.323 -0.399 . . . . 10.0 110.97 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 28.7 m -63.94 -31.02 72.06 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.704 179.37 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 593' ' ' LYS . . . . . 0.525 ' HG3' ' O ' ' D' ' 589' ' ' GLU . 87.2 mttt -76.67 -47.46 22.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.559 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 594' ' ' LYS . . . . . 0.589 ' HE2' ' HB2' ' A' ' 388' ' ' SER . 5.2 mptt -70.34 -33.5 71.56 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.887 -0.597 . . . . 10.0 111.962 -179.032 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 94.6 mt -103.73 39.74 1.56 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.038 0.447 . . . . 10.0 110.77 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 . . . . . 0 C--N 1.321 -0.638 0 CA-C-N 116.399 -0.364 . . . . 10.0 111.064 179.785 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 2.5 m . . . . . 0 N--CA 1.456 -0.175 0 CA-C-O 120.761 0.315 . . . . 10.0 110.344 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 2' ' ' THR . . . . . 0.589 ' HB ' ' CE2' ' B' ' 4' ' ' TYR . 0.2 OUTLIER -104.97 143.64 32.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.277 -0.42 . . . . 10.0 110.379 179.62 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -101.6 134.05 45.33 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.554 -0.294 . . . . 10.0 110.519 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 4' ' ' TYR . . . . . 0.589 ' CE2' ' HB ' ' B' ' 2' ' ' THR . 99.1 m-85 -133.11 129.75 38.35 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.376 -0.375 . . . . 10.0 110.992 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 54.7 mttm -97.57 108.02 20.64 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.412 -0.358 . . . . 10.0 110.177 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 62.0 mt -107.85 133.9 51.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.262 -0.427 . . . . 10.0 110.899 -178.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' VAL . . . . . 0.506 HG11 ' HD2' ' B' ' 71' ' ' TYR . 65.4 t -121.13 122.49 67.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.094 0.473 . . . . 10.0 110.802 179.283 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.423 HG12 ' HE2' ' B' ' 16' ' ' LYS . 41.5 t -89.85 109.57 20.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 109.395 -0.594 . . . . 10.0 109.395 179.716 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 4.7 m -109.18 169.1 3.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.091 -0.504 . . . . 10.0 111.258 -179.324 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 138.08 -176.57 20.63 Favored Glycine 0 N--CA 1.444 -0.816 0 N-CA-C 110.941 -0.864 . . . . 10.0 110.941 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.45 168.26 17.63 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.754 0.277 . . . . 10.0 110.681 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -80.18 152.59 29.1 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.036 0.446 . . . . 10.0 111.333 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 75.86 11.65 84.48 Favored Glycine 0 CA--C 1.519 0.341 0 CA-C-N 115.729 -0.669 . . . . 10.0 113.805 179.078 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.458 ' HA ' ' HB2' ' B' ' 83' ' ' ALA . 33.3 m -84.33 -17.09 10.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 117.228 0.514 . . . . 10.0 111.731 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 97.83 21.51 18.46 Favored Glycine 0 N--CA 1.448 -0.528 0 CA-C-N 115.936 -0.575 . . . . 10.0 111.802 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' LYS . . . . . 0.423 ' HE2' HG12 ' B' ' 8' ' ' VAL . 10.6 ptmm? -66.23 -38.64 88.41 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.728 -0.236 . . . . 10.0 111.197 -179.636 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.18 -38.95 75.48 Favored 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 109.236 -0.653 . . . . 10.0 109.236 179.493 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.47 -45.09 94.97 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.381 -0.827 . . . . 10.0 109.896 179.258 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 36.4 mt -60.03 -43.97 94.95 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.17 179.016 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' THR . . . . . 0.415 ' O ' HG12 ' B' ' 24' ' ' ILE . 21.8 m -63.9 -51.15 65.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.841 179.677 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 85.4 mt -62.22 -33.5 59.1 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-N 116.484 -0.325 . . . . 10.0 111.535 -179.518 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' GLN . . . . . 0.587 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 2.1 mm-40 -63.39 -30.52 71.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.475 -0.33 . . . . 10.0 111.758 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 6.2 tp -92.69 -39.19 11.41 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.121 0.486 . . . . 10.0 111.195 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.621 HD11 HD13 ' B' ' 55' ' ' ILE . 49.3 mm -70.88 -51.61 34.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.95 -0.568 . . . . 10.0 112.385 -179.039 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -105.4 -9.53 17.5 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.862 0.69 . . . . 10.0 112.862 -178.133 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' ASN . . . . . 0.587 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 2.2 m-80 68.93 33.81 3.4 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 113.354 0.872 . . . . 10.0 113.354 178.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 16.8 p80 -145.89 155.07 42.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.625 0.25 . . . . 10.0 111.158 178.664 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -105.12 135.95 45.52 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.055 0.455 . . . . 10.0 111.831 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 1.6 m -101.22 114.89 41.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.828 -0.624 . . . . 10.0 110.241 178.768 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -76.0 -30.56 58.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.993 -179.447 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -78.51 155.68 29.66 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.374 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -88.82 133.59 34.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.474 -0.33 . . . . 10.0 110.372 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -126.5 109.88 23.24 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-O 120.636 0.255 . . . . 10.0 111.528 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo -66.94 118.73 5.79 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.881 2.387 . . . . 10.0 111.262 179.376 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 88.9 m -94.05 142.28 27.57 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.897 -0.592 . . . . 10.0 111.765 -178.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 48.1 mm -105.84 -45.29 8.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 107.915 -1.143 . . . . 10.0 107.915 178.196 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -178.33 99.17 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 114.719 -1.128 . . . . 10.0 108.438 179.495 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -112.73 128.04 56.3 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 111.983 0.364 . . . . 10.0 111.983 -178.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -125.5 116.62 22.08 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.144 178.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -119.51 147.15 44.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.421 -0.354 . . . . 10.0 111.464 -179.248 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 2.3 mpp_? -109.5 135.02 51.19 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.731 0.3 . . . . 10.0 111.048 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 37.5 tptt -139.05 118.94 13.25 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.338 179.619 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' GLN . . . . . 0.429 ' HA ' ' O ' ' B' ' 51' ' ' CYS . 51.1 tt0 -108.26 113.94 27.43 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.883 0.373 . . . . 10.0 110.588 178.846 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 3.9 m -135.43 176.52 8.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.766 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 22.0 t -101.49 95.43 3.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.24 -0.436 . . . . 10.0 109.839 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' ILE . . . . . 0.417 HD11 HD11 ' B' ' 53' ' ' LEU . 46.6 mt -97.23 116.39 39.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.876 -179.29 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 47' ' ' ASP . . . . . 0.59 ' HA ' ' HB3' ' C' ' 128' ' ' LYS . 3.8 m-20 62.74 15.86 8.49 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.176 -0.92 . . . . 10.0 111.928 179.701 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.16 -7.85 54.96 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.641 -0.79 . . . . 10.0 111.863 -179.461 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -106.17 121.84 44.98 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.708 0.289 . . . . 10.0 110.503 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.51 122.12 17.31 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.959 -0.756 . . . . 10.0 108.959 178.646 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 51' ' ' CYS . . . . . 0.429 ' O ' ' HA ' ' B' ' 43' ' ' GLN . 11.6 m -126.94 136.36 52.17 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.34 0.496 . . . . 10.0 112.34 -178.247 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 55.2 tp -98.46 101.87 13.44 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 107.751 -1.203 . . . . 10.0 107.751 177.536 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' LEU . . . . . 0.417 HD11 HD11 ' B' ' 46' ' ' ILE . 29.4 mt -92.31 126.83 37.56 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 112.799 0.666 . . . . 10.0 112.799 -177.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -105.49 99.41 9.02 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 107.18 -1.415 . . . . 10.0 107.18 176.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' ILE . . . . . 0.682 HG12 ' HE1' ' B' ' 156' ' ' PHE . 4.2 mp -90.58 119.96 38.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.977 -0.556 . . . . 10.0 111.537 -178.032 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 52.8 tp -108.44 117.21 33.56 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.623 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -103.64 112.14 24.93 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.028 -0.533 . . . . 10.0 111.418 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 58' ' ' THR . . . . . 0.494 HG21 ' CE1' ' B' ' 71' ' ' TYR . 0.7 OUTLIER -111.99 139.24 47.66 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.809 -0.812 . . . . 10.0 108.809 178.125 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 59' ' ' ALA . . . . . 0.4 ' HB1' ' HG3' ' B' ' 61' ' ' GLN . . . -76.15 135.32 39.8 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.077 0.465 . . . . 10.0 111.595 -178.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -94.24 56.09 2.09 Favored Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 110.857 -0.897 . . . . 10.0 110.857 179.017 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' GLN . . . . . 0.4 ' HG3' ' HB1' ' B' ' 59' ' ' ALA . 33.4 mt-30 -96.0 16.19 18.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.753 -0.223 . . . . 10.0 111.501 -178.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.403 ' HG3' ' H ' ' B' ' 63' ' ' GLU . 2.7 tp10 64.34 -175.27 0.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.88 -0.6 . . . . 10.0 111.331 179.547 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 63' ' ' GLU . . . . . 0.403 ' H ' ' HG3' ' B' ' 62' ' ' GLU . 0.8 OUTLIER 71.35 -9.05 0.94 Allowed 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.84 0.681 . . . . 10.0 112.84 179.853 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 64' ' ' TYR . . . . . 0.665 ' HB3' ' HB3' ' B' ' 67' ' ' MET . 13.8 m-85 -95.04 45.8 1.11 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.858 0.361 . . . . 10.0 111.099 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.89 -36.37 81.09 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.041 -0.527 . . . . 10.0 111.644 -179.703 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.33 -32.45 18.41 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 121.077 -0.249 . . . . 10.0 111.322 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 67' ' ' MET . . . . . 0.665 ' HB3' ' HB3' ' B' ' 64' ' ' TYR . 27.6 ttt -71.53 -33.78 69.47 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.21 -0.45 . . . . 10.0 111.478 -179.724 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 68' ' ' ARG . . . . . 0.498 ' HA ' ' CE1' ' B' ' 71' ' ' TYR . 1.0 OUTLIER -59.05 -39.05 80.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.788 179.841 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.73 -25.13 67.8 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.371 -0.831 . . . . 10.0 111.777 -179.116 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -69.71 -71.13 0.24 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.983 0.734 . . . . 10.0 112.983 -178.398 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 71' ' ' TYR . . . . . 0.506 ' HD2' HG11 ' B' ' 7' ' ' VAL . 51.8 p90 -62.67 -28.73 70.13 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 113.922 1.082 . . . . 10.0 113.922 -177.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 49.8 mtt -69.61 -25.76 64.11 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.006 0.431 . . . . 10.0 111.795 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 16.1 ttm180 -74.68 -37.71 62.6 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.748 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.07 -32.47 22.82 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.205 0.446 . . . . 10.0 112.205 -179.253 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.71 136.0 49.15 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 121.221 -0.514 . . . . 10.0 113.342 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -96.34 -50.46 4.77 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.25 -0.648 . . . . 10.0 109.25 179.365 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -112.05 136.5 13.57 Favored Glycine 0 N--CA 1.446 -0.648 0 N-CA-C 110.927 -0.869 . . . . 10.0 110.927 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 78' ' ' PHE . . . . . 0.781 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 96.7 m-85 -116.56 130.95 57.04 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.278 0.561 . . . . 10.0 112.125 -178.713 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 12.5 tp -106.36 100.36 9.9 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.459 -0.791 . . . . 10.0 109.254 179.2 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 3.7 m -80.35 93.17 5.9 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.253 -0.431 . . . . 10.0 110.641 -179.407 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 52.5 t -95.45 126.72 47.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.008 -0.542 . . . . 10.0 111.512 -178.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 82' ' ' PHE . . . . . 0.707 ' HB2' ' HB2' ' B' ' 89' ' ' SER . 24.3 p90 -137.12 149.03 47.06 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.676 -0.693 . . . . 10.0 109.827 179.356 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.458 ' HB2' ' HA ' ' B' ' 14' ' ' VAL . . . -88.27 126.24 35.07 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.02 -0.733 . . . . 10.0 109.02 179.336 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 84' ' ' ILE . . . . . 0.909 HD12 ' HD3' ' B' ' 123' ' ' ARG . 20.0 pt -71.09 -6.35 7.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 112.546 0.572 . . . . 10.0 112.546 -179.068 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 85' ' ' ASN . . . . . 0.449 ' OD1' ' HD2' ' B' ' 117' ' ' LYS . 4.2 p-10 -97.65 2.77 50.19 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.163 0.506 . . . . 10.0 110.112 178.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.433 ' HB3' ' OG ' ' B' ' 89' ' ' SER . 38.9 t-20 -135.54 107.53 7.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.681 -0.69 . . . . 10.0 110.019 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -61.07 -33.01 72.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.882 -0.599 . . . . 10.0 112.067 -179.506 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -56.89 -43.76 81.65 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.969 0.359 . . . . 10.0 111.969 -179.466 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 89' ' ' SER . . . . . 0.707 ' HB2' ' HB2' ' B' ' 82' ' ' PHE . 0.0 OUTLIER -62.89 -34.31 77.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.864 0.364 . . . . 10.0 110.829 179.58 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -72.31 -41.52 66.49 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.514 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -67.4 -33.84 76.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.014 -0.539 . . . . 10.0 110.742 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.74 -16.49 63.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.836 -0.62 . . . . 10.0 112.118 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 93' ' ' ILE . . . . . 0.472 HD11 ' HB3' ' B' ' 82' ' ' PHE . 34.1 mm -59.5 -43.31 90.42 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-O 120.807 0.337 . . . . 10.0 110.971 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 35.2 t60 -68.9 -35.52 76.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.444 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -65.67 -47.45 75.46 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.703 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 96' ' ' TYR . . . . . 0.413 ' O ' HG13 ' B' ' 100' ' ' ILE . 5.5 m-85 -64.58 -30.85 71.88 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.595 179.634 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 42.8 ttt-85 -63.78 -49.19 73.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.846 -0.615 . . . . 10.0 110.295 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -60.8 -37.4 81.82 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.892 -0.595 . . . . 10.0 110.26 179.282 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 99' ' ' GLN . . . . . 0.492 ' O ' HG23 ' B' ' 103' ' ' VAL . 36.4 tp60 -59.21 -55.11 39.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.44 -0.8 . . . . 10.0 110.273 179.647 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 100' ' ' ILE . . . . . 0.413 HG13 ' O ' ' B' ' 96' ' ' TYR . 56.4 mt -57.66 -41.06 78.49 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 CA-C-N 116.205 -0.452 . . . . 10.0 111.49 -179.451 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? -61.7 -31.47 71.61 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.992 -0.549 . . . . 10.0 112.231 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? -89.13 -35.37 16.31 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.719 0.295 . . . . 10.0 111.081 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 103' ' ' VAL . . . . . 0.492 HG23 ' O ' ' B' ' 99' ' ' GLN . 70.1 t -64.41 -49.01 82.77 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-N 116.434 -0.348 . . . . 10.0 111.717 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -90.1 -12.37 38.55 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.49 -0.323 . . . . 10.0 111.638 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 37.4 t70 58.82 56.27 4.19 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.786 0.803 . . . . 10.0 111.168 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 41.2 t -153.71 146.39 24.22 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.554 -0.748 . . . . 10.0 110.055 -179.277 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -96.59 -3.74 42.42 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.174 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -127.9 107.49 9.9 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.994 -0.548 . . . . 10.0 111.03 -179.688 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 66.2 t -142.56 131.75 11.93 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.162 -0.472 . . . . 10.0 109.75 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -59.85 106.78 0.35 Allowed 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.823 2.349 . . . . 10.0 111.639 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 111' ' ' MET . . . . . 0.781 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 58.5 mtm -136.65 141.27 43.18 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.065 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 79.4 t -124.27 133.78 68.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.103 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 17.8 tp -85.77 112.58 21.2 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.42 -0.585 . . . . 10.0 109.42 179.424 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 53.5 t -112.78 114.97 48.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 112.365 0.506 . . . . 10.0 112.365 -178.218 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -98.26 111.56 4.27 Favored Glycine 0 N--CA 1.448 -0.561 0 N-CA-C 110.084 -1.206 . . . . 10.0 110.084 178.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -97.07 166.03 11.78 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.842 0.321 . . . . 10.0 111.685 -178.48 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 117' ' ' LYS . . . . . 0.449 ' HD2' ' OD1' ' B' ' 85' ' ' ASN . 89.8 mttt 71.52 42.45 0.67 Allowed 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.568 -0.742 . . . . 10.0 112.79 179.077 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 118' ' ' CYS . . . . . 0.863 ' HA ' HD11 ' B' ' 84' ' ' ILE . 65.5 m -75.61 -15.63 60.32 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.991 -0.55 . . . . 10.0 110.475 179.459 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -72.61 -33.65 66.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.088 178.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 75.7 mt -73.04 116.23 48.49 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.375 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -72.7 175.15 10.67 Favored 'Trans proline' 0 C--O 1.235 0.356 0 C-N-CA 122.694 2.263 . . . . 10.0 112.19 -179.546 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 5.5 m 60.5 39.94 17.61 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.958 -0.564 . . . . 10.0 110.817 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 123' ' ' ARG . . . . . 0.909 ' HD3' HD12 ' B' ' 84' ' ' ILE . 10.2 ptt180 -65.61 138.19 57.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.616 -0.72 . . . . 10.0 111.937 -179.572 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.71 -37.62 35.25 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.935 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 57.5 t -90.38 113.59 26.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.131 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 126' ' ' ASP . . . . . 0.47 ' OD1' ' HG2' ' B' ' 128' ' ' LYS . 1.0 OUTLIER -74.18 147.32 42.68 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.607 -179.689 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 3.9 m -62.5 -45.84 91.18 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.255 -0.429 . . . . 10.0 112.109 -178.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 128' ' ' LYS . . . . . 0.47 ' HG2' ' OD1' ' B' ' 126' ' ' ASP . 18.5 pttm -63.58 -39.36 94.19 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.732 0.641 . . . . 10.0 112.732 -178.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -68.93 -28.5 66.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.801 0.334 . . . . 10.0 111.433 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -82.15 -39.05 23.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.956 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -69.91 -43.34 71.89 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.056 -0.52 . . . . 10.0 111.89 -179.343 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -63.92 -31.12 72.2 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.238 0.542 . . . . 10.0 110.592 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 14.1 tp -66.87 -42.59 85.37 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.801 -0.636 . . . . 10.0 109.356 178.605 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.38 -33.5 75.86 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.485 -0.78 . . . . 10.0 109.729 179.259 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 2.7 ttp180 -61.43 -40.37 94.19 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.732 -0.667 . . . . 10.0 110.026 178.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 32.6 t -70.63 -34.89 72.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.295 179.285 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 21.7 m-30 -72.12 -38.16 69.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.979 -0.555 . . . . 10.0 111.124 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 100.74 28.76 6.85 Favored Glycine 0 N--CA 1.449 -0.463 0 N-CA-C 111.104 -0.798 . . . . 10.0 111.104 -179.014 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 32.2 pt -129.27 163.9 43.05 Favored Pre-proline 0 C--O 1.234 0.271 0 CA-C-N 115.502 -0.349 . . . . 10.0 110.172 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -91.46 144.21 3.15 Favored 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 122.469 2.113 . . . . 10.0 112.667 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -112.16 133.25 54.41 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.194 -0.669 . . . . 10.0 109.194 178.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 57.1 mt -130.87 136.58 57.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.697 0.284 . . . . 10.0 111.222 -179.373 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -86.49 127.24 34.85 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 108.648 -0.871 . . . . 10.0 108.648 178.06 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 72.1 p -134.22 167.08 21.34 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.653 0.739 . . . . 10.0 112.213 -178.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -163.19 109.85 1.17 Allowed 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.97 -1.013 . . . . 10.0 108.454 177.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -63.82 -35.9 82.14 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.021 -0.536 . . . . 10.0 111.137 -178.464 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -63.09 -32.7 74.14 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.272 -0.422 . . . . 10.0 111.792 -179.46 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 1.1 m -101.43 -6.16 24.37 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.966 0.358 . . . . 10.0 111.966 -179.667 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 149' ' ' ARG . . . . . 0.436 ' O ' ' HG3' ' B' ' 149' ' ' ARG . 12.8 tpt180 61.91 34.96 16.59 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 122.131 0.967 . . . . 10.0 110.171 -179.578 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -107.17 132.93 52.49 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.872 -0.604 . . . . 10.0 111.069 -179.125 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 79.16 -5.61 58.89 Favored Glycine 0 N--CA 1.452 -0.261 0 CA-C-N 115.955 -0.566 . . . . 10.0 113.721 178.483 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 152' ' ' VAL . . . . . 0.433 HG21 ' HD2' ' B' ' 149' ' ' ARG . 28.8 t -61.14 -55.75 22.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.903 0.382 . . . . 10.0 110.829 -179.217 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -64.15 -35.57 81.2 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.998 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -63.03 -53.26 56.59 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.995 -0.548 . . . . 10.0 111.514 -179.339 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -57.69 -46.79 83.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.943 -0.571 . . . . 10.0 112.036 -179.019 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 156' ' ' PHE . . . . . 0.682 ' HE1' HG12 ' B' ' 55' ' ' ILE . 28.0 m-85 -62.65 -47.9 81.68 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 112.198 0.444 . . . . 10.0 112.198 -179.276 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -63.69 -46.64 84.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.056 0.455 . . . . 10.0 111.113 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 158' ' ' THR . . . . . 0.595 ' HA ' ' HE ' ' B' ' 161' ' ' ARG . 91.1 m -59.63 -38.28 80.9 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 113.073 0.768 . . . . 10.0 113.073 -179.206 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 24.0 tp -60.93 -37.08 81.04 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.948 0.404 . . . . 10.0 110.913 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 49.0 t -69.26 -35.62 68.64 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 CA-C-N 115.898 -0.592 . . . . 10.0 109.837 179.263 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 161' ' ' ARG . . . . . 0.595 ' HE ' ' HA ' ' B' ' 158' ' ' THR . 0.9 OUTLIER -62.3 -40.23 95.61 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.903 -0.59 . . . . 10.0 110.509 179.183 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -67.08 -34.22 77.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.047 -0.524 . . . . 10.0 111.18 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 73.9 mt -64.68 -46.17 93.12 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.154 0 N-CA-C 109.692 -0.484 . . . . 10.0 109.692 179.09 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 49.9 mtt85 -64.55 -40.02 94.82 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.466 -0.568 . . . . 10.0 109.466 178.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt . . . . . 0 C--N 1.332 -0.174 0 CA-C-N 115.11 -0.95 . . . . 10.0 110.776 179.701 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 13.9 m . . . . . 0 CA--C 1.531 0.214 0 CA-C-O 120.635 0.255 . . . . 10.0 111.126 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 2.2 m -78.11 128.74 34.27 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 110.117 -0.327 . . . . 10.0 110.117 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 3' ' ' GLU . . . . . 0.444 ' HA ' ' HB3' ' C' ' 52' ' ' LEU . 25.9 tt0 -87.96 143.11 27.28 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.38 -0.373 . . . . 10.0 111.379 -179.117 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 4' ' ' TYR . . . . . 0.43 ' CD2' ' HB3' ' C' ' 51' ' ' CYS . 97.0 m-85 -137.09 106.68 6.15 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.514 -0.551 . . . . 10.0 109.514 179.446 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 5' ' ' LYS . . . . . 0.589 ' HA ' ' HB3' ' C' ' 54' ' ' ASP . 36.3 mtmm -88.46 113.22 23.82 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.887 0.375 . . . . 10.0 110.316 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 6' ' ' LEU . . . . . 0.606 HD12 HG12 ' C' ' 55' ' ' ILE . 0.0 OUTLIER -120.2 126.8 51.53 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.296 -0.411 . . . . 10.0 111.089 -177.942 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 97.9 t -107.19 124.43 63.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 109.649 -0.5 . . . . 10.0 109.649 179.321 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.448 HG12 ' HG3' ' C' ' 16' ' ' LYS . 2.9 t -89.32 118.76 35.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.172 0.51 . . . . 10.0 109.687 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 16.2 m -117.39 159.41 17.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.305 -0.407 . . . . 10.0 111.302 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.62 177.27 34.55 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 110.843 -0.903 . . . . 10.0 110.843 -179.622 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.01 -168.15 1.69 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.905 0.383 . . . . 10.0 111.492 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -81.4 132.81 35.34 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.256 0.55 . . . . 10.0 112.457 -179.4 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 65.13 35.24 91.49 Favored Glycine 0 CA--C 1.517 0.194 0 CA-C-N 115.446 -0.797 . . . . 10.0 114.657 178.35 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 29.6 m -93.2 -8.35 10.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 120.871 0.367 . . . . 10.0 111.686 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 15' ' ' GLY . . . . . 0.519 ' HA3' ' ND2' ' C' ' 116' ' ' ASN . . . 93.65 23.01 24.73 Favored Glycine 0 N--CA 1.452 -0.248 0 N-CA-C 110.929 -0.868 . . . . 10.0 110.929 -178.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 16' ' ' LYS . . . . . 0.448 ' HG3' HG12 ' C' ' 8' ' ' VAL . 35.5 ttmt -60.72 -36.83 79.84 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.073 -0.564 . . . . 10.0 110.897 -179.284 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 31.2 m -91.79 -33.02 15.15 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.211 -0.449 . . . . 10.0 111.364 -179.413 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.15 -46.68 85.26 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.639 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 19' ' ' LEU . . . . . 0.478 ' HG ' ' HB2' ' C' ' 146' ' ' ALA . 32.2 mt -65.04 -47.41 77.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.695 179.008 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 23.6 m -58.8 -45.33 90.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.991 -0.55 . . . . 10.0 111.979 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 91.9 mt -65.12 -32.21 57.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.818 0.342 . . . . 10.0 110.874 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 22' ' ' GLN . . . . . 0.658 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 10.1 mm-40 -68.52 -21.06 64.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.444 -0.344 . . . . 10.0 111.417 179.352 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 4.5 tp -92.72 -36.31 12.99 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.149 0.5 . . . . 10.0 110.417 179.129 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 24' ' ' ILE . . . . . 0.536 HD11 HD12 ' C' ' 55' ' ' ILE . 50.2 mm -82.58 -68.9 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.073 -0.512 . . . . 10.0 111.36 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 -78.18 -25.9 47.36 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.064 -0.516 . . . . 10.0 111.251 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 26' ' ' ASN . . . . . 0.658 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 48.2 m-80 73.88 38.47 0.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.33 -0.85 . . . . 10.0 112.895 179.165 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 21.9 p-80 -148.07 154.25 39.97 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.123 -0.49 . . . . 10.0 110.306 178.521 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 28' ' ' PHE . . . . . 0.461 ' HB2' ' NE2' ' C' ' 22' ' ' GLN . 69.4 t80 -95.72 134.31 38.8 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.999 0.428 . . . . 10.0 111.609 -178.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 2.5 m -102.51 113.79 40.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.842 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -81.85 -18.61 43.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.109 0.48 . . . . 10.0 110.572 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -83.92 125.91 32.48 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.823 -0.626 . . . . 10.0 109.527 179.446 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -66.44 118.87 10.69 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.255 0.55 . . . . 10.0 111.419 -179.08 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -115.81 105.91 50.76 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.818 -0.628 . . . . 10.0 109.699 179.294 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -76.28 62.3 6.84 Favored 'Trans proline' 0 CA--C 1.532 0.398 0 C-N-CA 122.959 2.439 . . . . 10.0 112.446 -179.534 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.88 124.79 21.01 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.907 -0.588 . . . . 10.0 111.037 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 36' ' ' ILE . . . . . 0.707 ' HA ' ' HB2' ' C' ' 59' ' ' ALA . 38.1 mm -82.35 -53.05 12.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 123.455 0.472 . . . . 10.0 110.394 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -154.15 99.44 2.23 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.885 -0.598 . . . . 10.0 110.402 -179.361 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -118.77 141.15 48.89 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.444 -0.344 . . . . 10.0 110.658 -179.403 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.91 131.67 56.06 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.888 0.375 . . . . 10.0 110.986 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -129.5 138.87 51.62 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.316 -0.402 . . . . 10.0 111.119 -179.583 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 41' ' ' ARG . . . . . 0.522 ' HD2' ' OD2' ' C' ' 54' ' ' ASP . 0.9 OUTLIER -116.16 143.17 45.85 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.529 -0.305 . . . . 10.0 110.461 179.825 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 52.0 tttp -152.28 132.23 13.37 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-O 121.007 0.432 . . . . 10.0 110.97 179.468 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -101.47 111.95 24.35 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.987 -0.746 . . . . 10.0 108.987 179.48 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 3.7 m -132.23 165.7 31.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.9 0.381 . . . . 10.0 111.245 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 93.6 t -103.04 111.68 33.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 109.547 -0.538 . . . . 10.0 109.547 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 24.1 mt -119.97 120.76 64.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.491 -0.322 . . . . 10.0 110.938 -179.353 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 47' ' ' ASP . . . . . 0.439 ' OD1' ' HD2' ' C' ' 161' ' ' ARG . 4.0 m-20 62.7 23.57 14.04 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.575 -0.739 . . . . 10.0 112.325 179.448 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.52 8.38 64.1 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.989 -0.624 . . . . 10.0 113.065 179.505 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -121.66 140.65 52.01 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 110.292 -0.262 . . . . 10.0 110.292 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 56.1 m -78.9 112.73 16.36 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 107.999 -1.111 . . . . 10.0 107.999 178.361 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 51' ' ' CYS . . . . . 0.43 ' HB3' ' CD2' ' C' ' 4' ' ' TYR . 12.8 m -108.62 135.79 49.28 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 112.767 0.655 . . . . 10.0 112.767 -177.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 52' ' ' LEU . . . . . 0.444 ' HB3' ' HA ' ' C' ' 3' ' ' GLU . 29.8 tp -99.38 101.88 13.29 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.382 -0.97 . . . . 10.0 108.382 178.295 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 49.2 mt -83.48 122.35 28.42 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 112.678 0.621 . . . . 10.0 112.678 -178.267 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 54' ' ' ASP . . . . . 0.589 ' HB3' ' HA ' ' C' ' 5' ' ' LYS . 9.4 t70 -107.85 86.62 2.33 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.077 -1.453 . . . . 10.0 107.077 177.514 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 55' ' ' ILE . . . . . 0.606 HG12 HD12 ' C' ' 6' ' ' LEU . 9.5 mt -85.81 138.36 19.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.809 -0.632 . . . . 10.0 111.97 -176.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 36.3 tp -127.8 112.94 15.33 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.763 179.442 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -93.8 112.22 24.04 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.07 -0.715 . . . . 10.0 109.07 179.189 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 33.9 p -102.36 174.25 5.99 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.369 -0.378 . . . . 10.0 111.721 -178.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 59' ' ' ALA . . . . . 0.707 ' HB2' ' HA ' ' C' ' 36' ' ' ILE . . . -96.17 135.49 37.9 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.25 0.548 . . . . 10.0 110.703 179.206 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -106.54 35.77 4.83 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.73 -0.748 . . . . 10.0 111.875 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -97.92 18.16 16.54 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 111.7 0.259 . . . . 10.0 111.7 -179.058 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 62' ' ' GLU . . . . . 0.58 ' HG3' ' H ' ' C' ' 63' ' ' GLU . 4.1 tp10 62.59 -172.26 0.16 Allowed 'General case' 0 CA--C 1.532 0.256 0 O-C-N 123.25 0.344 . . . . 10.0 111.109 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 63' ' ' GLU . . . . . 0.58 ' H ' ' HG3' ' C' ' 62' ' ' GLU . 26.8 tt0 73.87 2.8 4.31 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 122.963 0.505 . . . . 10.0 111.72 179.511 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 64' ' ' TYR . . . . . 0.753 ' HB3' ' HB3' ' C' ' 67' ' ' MET . 14.4 m-85 -112.63 47.23 1.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.186 0.517 . . . . 10.0 111.123 -179.068 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -44.05 97.84 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.583 -0.735 . . . . 10.0 111.436 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -82.09 -36.45 27.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.21 0.529 . . . . 10.0 110.186 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 67' ' ' MET . . . . . 0.753 ' HB3' ' HB3' ' C' ' 64' ' ' TYR . 19.3 ttt -61.28 -33.91 74.32 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.802 -0.635 . . . . 10.0 110.368 179.34 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 68' ' ' ARG . . . . . 0.462 ' HA ' ' CZ ' ' C' ' 71' ' ' TYR . 1.6 ttp180 -60.19 -48.02 83.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.163 -0.471 . . . . 10.0 110.429 179.552 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.62 -37.52 78.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.859 179.469 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -54.65 -45.3 73.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.182 -0.917 . . . . 10.0 112.545 -179.32 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 71' ' ' TYR . . . . . 0.462 ' CZ ' ' HA ' ' C' ' 68' ' ' ARG . 15.5 p90 -91.89 -23.18 19.72 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 113.228 0.825 . . . . 10.0 113.228 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 72' ' ' MET . . . . . 0.416 ' HE2' HG13 ' C' ' 100' ' ' ILE . 44.6 mtt -64.3 -27.68 69.2 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.334 0.588 . . . . 10.0 111.459 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 73' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' C' ' 73' ' ' ARG . 32.2 mtm105 -79.95 -14.8 58.33 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.869 -0.605 . . . . 10.0 112.255 -179.544 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 1.8 m -107.0 -41.41 5.18 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.079 0.4 . . . . 10.0 112.079 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -58.46 116.15 8.11 Favored Glycine 0 C--N 1.329 0.184 0 C-N-CA 121.293 -0.48 . . . . 10.0 113.132 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 76' ' ' GLU . . . . . 0.412 ' HG3' ' HB2' ' C' ' 5' ' ' LYS . 62.6 mt-10 -73.99 -42.88 59.75 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.889 -0.412 . . . . 10.0 109.889 -179.526 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -122.65 143.58 15.43 Favored Glycine 0 N--CA 1.445 -0.715 0 N-CA-C 110.534 -1.027 . . . . 10.0 110.534 179.09 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 78' ' ' PHE . . . . . 0.437 ' HB2' ' HG2' ' C' ' 111' ' ' MET . 77.8 m-85 -118.41 126.33 51.84 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 117.195 0.497 . . . . 10.0 111.863 -178.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 79' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' C' ' 79' ' ' LEU . 11.1 tp -97.53 106.38 18.69 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.812 -0.631 . . . . 10.0 109.694 179.621 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 4.2 m -83.43 88.32 6.99 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.031 0.443 . . . . 10.0 111.02 -179.568 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 99.0 t -95.92 128.93 46.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.02 -0.536 . . . . 10.0 110.979 -179.389 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 82' ' ' PHE . . . . . 0.415 ' HB3' HD11 ' C' ' 93' ' ' ILE . 39.3 p90 -138.9 169.62 17.45 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.217 -0.66 . . . . 10.0 109.217 179.091 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 83' ' ' ALA . . . . . 0.42 ' HB3' ' HB3' ' C' ' 86' ' ' ASN . . . -106.9 133.92 50.83 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 110.076 -0.342 . . . . 10.0 110.076 -179.739 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 84' ' ' ILE . . . . . 0.777 HD12 ' HB3' ' C' ' 123' ' ' ARG . 12.5 pt -66.94 -15.36 19.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 111.819 0.303 . . . . 10.0 111.819 -179.283 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 9.8 p-10 -103.04 9.17 38.69 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.151 0.501 . . . . 10.0 110.103 179.213 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 86' ' ' ASN . . . . . 0.42 ' HB3' ' HB3' ' C' ' 83' ' ' ALA . 53.5 t-20 -127.97 97.24 4.73 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.455 -0.793 . . . . 10.0 109.588 179.572 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 1.4 m -63.9 -35.93 82.28 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.933 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 23.4 tptp -60.69 -37.23 80.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.88 0.371 . . . . 10.0 111.301 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 95.1 p -68.16 -28.4 67.26 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.681 -0.408 . . . . 10.0 110.482 179.049 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -76.97 -35.58 57.11 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 109.064 -0.717 . . . . 10.0 109.064 178.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -68.77 -37.11 79.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.657 -0.701 . . . . 10.0 110.23 178.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.97 -17.71 65.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.593 -0.73 . . . . 10.0 112.063 -179.08 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 93' ' ' ILE . . . . . 0.415 HD11 ' HB3' ' C' ' 82' ' ' PHE . 49.0 mm -57.95 -42.18 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 N-CA-C 109.75 -0.463 . . . . 10.0 109.75 179.262 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -65.72 -46.05 80.42 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.61 -0.723 . . . . 10.0 109.441 179.605 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 60.6 m80 -60.07 -44.06 95.0 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.539 -0.755 . . . . 10.0 111.732 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 96' ' ' TYR . . . . . 0.416 ' O ' HG13 ' C' ' 100' ' ' ILE . 4.7 m-85 -65.52 -50.06 66.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.359 -0.382 . . . . 10.0 111.409 179.534 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -56.12 -48.63 75.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.273 -0.421 . . . . 10.0 111.574 -179.161 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -61.09 -30.83 70.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.213 -0.449 . . . . 10.0 112.191 -179.397 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -75.15 -42.48 55.99 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.027 -0.36 . . . . 10.0 110.027 179.351 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 100' ' ' ILE . . . . . 0.416 HG13 ' O ' ' C' ' 96' ' ' TYR . 81.2 mt -57.04 -47.39 83.68 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.214 179.531 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -56.35 -39.66 73.21 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.747 -0.66 . . . . 10.0 112.085 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -77.5 -46.94 20.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.656 0.265 . . . . 10.0 111.71 -179.164 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 68.9 t -63.58 -44.54 98.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.793 0.33 . . . . 10.0 111.601 -179.336 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 15.8 tttp -82.36 -10.78 58.94 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.537 -0.301 . . . . 10.0 110.988 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 12.2 t70 56.03 50.52 13.59 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.546 -0.752 . . . . 10.0 111.355 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 9.6 t -149.99 157.08 42.79 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 116.143 -0.48 . . . . 10.0 110.925 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -95.18 -29.42 14.54 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.728 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -114.61 111.37 21.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.96 0.409 . . . . 10.0 110.747 -178.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 109' ' ' VAL . . . . . 0.422 ' HA ' ' HD3' ' C' ' 110' ' ' PRO . 59.9 t -127.94 134.66 26.46 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 115.965 -0.561 . . . . 10.0 109.661 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 110' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' C' ' 109' ' ' VAL . 38.6 Cg_exo -61.89 108.5 0.66 Allowed 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.868 2.379 . . . . 10.0 111.654 179.224 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 111' ' ' MET . . . . . 0.437 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 32.3 mtm -138.25 152.19 48.34 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.397 -179.732 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 69.0 t -134.49 128.01 50.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.374 -0.602 . . . . 10.0 109.374 178.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 15.5 tp -83.8 114.22 21.47 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.404 -0.591 . . . . 10.0 109.404 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 60.5 t -117.58 117.84 56.44 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.475 0 CA-C-N 116.136 -0.483 . . . . 10.0 111.207 -178.419 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -98.85 118.22 6.1 Favored Glycine 0 N--CA 1.448 -0.561 0 N-CA-C 110.516 -1.033 . . . . 10.0 110.516 178.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 116' ' ' ASN . . . . . 0.519 ' ND2' ' HA3' ' C' ' 15' ' ' GLY . 64.9 t30 -100.84 167.48 10.26 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.971 0.385 . . . . 10.0 111.5 -178.815 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 117' ' ' LYS . . . . . 0.486 ' HB3' HD12 ' C' ' 120' ' ' LEU . 83.6 mttt 64.48 26.8 13.47 Favored 'General case' 0 N--CA 1.461 0.097 0 CA-C-N 115.741 -0.663 . . . . 10.0 111.35 179.678 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 118' ' ' CYS . . . . . 0.645 ' HA ' HD13 ' C' ' 84' ' ' ILE . 59.4 m -64.36 -18.02 64.27 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.952 0.723 . . . . 10.0 112.952 -179.343 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -90.32 2.08 55.89 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.789 0.328 . . . . 10.0 111.804 -179.343 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 120' ' ' LEU . . . . . 0.486 HD12 ' HB3' ' C' ' 117' ' ' LYS . 17.1 mt -81.58 140.98 48.12 Favored Pre-proline 0 C--O 1.236 0.37 0 CA-C-N 116.383 -0.371 . . . . 10.0 110.459 179.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 121' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' C' ' 120' ' ' LEU . 21.2 Cg_exo -66.85 138.41 48.41 Favored 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 122.788 2.325 . . . . 10.0 113.158 -179.393 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 55.4 m 60.88 92.13 0.05 Allowed 'General case' 0 C--O 1.234 0.265 0 N-CA-C 113.637 0.977 . . . . 10.0 113.637 178.774 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 123' ' ' ARG . . . . . 0.777 ' HB3' HD12 ' C' ' 84' ' ' ILE . 11.8 ptp180 -89.34 147.2 24.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.013 179.509 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 7.9 p -94.6 -30.31 14.42 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.838 0.351 . . . . 10.0 110.16 178.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 125' ' ' VAL . . . . . 0.501 ' O ' ' HD3' ' C' ' 123' ' ' ARG . 64.4 t -95.43 120.55 44.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.115 179.006 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 126' ' ' ASP . . . . . 0.464 ' O ' ' HG2' ' C' ' 129' ' ' GLN . 0.6 OUTLIER -72.94 140.88 47.74 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.185 179.629 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 1.8 m -63.24 -35.27 79.79 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.749 0.309 . . . . 10.0 110.467 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 128' ' ' LYS . . . . . 0.59 ' HB3' ' HA ' ' B' ' 47' ' ' ASP . 43.1 mtmt -54.86 -54.73 38.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.765 -0.652 . . . . 10.0 111.638 179.712 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 129' ' ' GLN . . . . . 0.464 ' HG2' ' O ' ' C' ' 126' ' ' ASP . 4.6 pt20 -62.41 -35.2 78.47 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 120.882 0.372 . . . . 10.0 111.826 -179.438 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.4 -41.26 85.21 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.038 0.447 . . . . 10.0 110.271 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -70.83 -39.02 73.25 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.861 -0.608 . . . . 10.0 110.028 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -63.87 -45.3 90.07 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.578 -0.737 . . . . 10.0 110.81 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 37.0 tp -59.83 -44.25 94.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.299 179.423 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 134' ' ' ALA . . . . . 0.438 ' HB1' ' O ' ' C' ' 139' ' ' ILE . . . -63.27 -37.07 85.79 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.762 -0.654 . . . . 10.0 110.215 179.283 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -61.71 -45.87 92.09 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.762 -0.653 . . . . 10.0 111.155 179.552 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 14.7 m -69.08 -35.9 77.03 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.124 -0.489 . . . . 10.0 111.509 -179.38 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -78.28 -18.33 55.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.438 -0.346 . . . . 10.0 111.563 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 78.87 21.43 68.46 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 121.027 -0.606 . . . . 10.0 112.157 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 139' ' ' ILE . . . . . 0.438 ' O ' ' HB1' ' C' ' 134' ' ' ALA . 44.9 pt -115.59 154.9 47.89 Favored Pre-proline 0 C--N 1.324 -0.518 0 N-CA-C 110.394 -0.225 . . . . 10.0 110.394 -179.513 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -77.62 148.29 25.81 Favored 'Trans proline' 0 C--O 1.233 0.267 0 C-N-CA 122.572 2.182 . . . . 10.0 113.122 -179.675 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -120.7 127.66 52.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.709 -0.678 . . . . 10.0 109.641 178.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 54.3 mt -130.96 130.97 64.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.864 0.364 . . . . 10.0 111.305 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -84.41 131.01 34.72 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.418 -0.956 . . . . 10.0 108.418 177.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 144' ' ' THR . . . . . 0.406 HG22 ' HA3' ' C' ' 151' ' ' GLY . 43.7 p -133.14 172.57 12.48 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.685 0.755 . . . . 10.0 112.35 -178.277 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 10.0 t -153.39 116.56 4.59 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.002 -0.999 . . . . 10.0 108.341 178.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 146' ' ' ALA . . . . . 0.478 ' HB2' ' HG ' ' C' ' 19' ' ' LEU . . . -76.13 -29.99 58.04 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.236 -0.653 . . . . 10.0 109.236 179.505 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 75.7 tttt -65.12 -44.07 89.94 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 114.792 -1.095 . . . . 10.0 111.64 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.46 -0.97 34.29 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.062 0.393 . . . . 10.0 112.062 -179.053 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 149' ' ' ARG . . . . . 0.474 ' HG3' ' HB3' ' C' ' 22' ' ' GLN . 20.4 ttt-85 56.71 49.23 14.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.283 0.563 . . . . 10.0 112.118 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -115.26 128.78 56.36 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.582 -0.735 . . . . 10.0 110.652 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 151' ' ' GLY . . . . . 0.406 ' HA3' HG22 ' C' ' 144' ' ' THR . . . 86.21 -1.1 87.59 Favored Glycine 0 CA--C 1.516 0.12 0 CA-C-N 116.042 -0.526 . . . . 10.0 113.55 178.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 152' ' ' VAL . . . . . 0.409 HG23 ' H ' ' C' ' 152' ' ' VAL . 3.2 t -63.43 -56.81 14.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.887 0.375 . . . . 10.0 111.306 -178.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -60.08 -41.99 93.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.645 -0.707 . . . . 10.0 110.312 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -62.09 -47.35 85.02 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.976 -0.556 . . . . 10.0 112.163 -179.17 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -57.0 -53.91 52.7 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.284 -0.416 . . . . 10.0 111.648 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -62.08 -43.8 98.06 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.088 -0.505 . . . . 10.0 111.78 -179.658 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -63.84 -44.12 94.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.963 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 158' ' ' THR . . . . . 0.671 ' HA ' ' HE ' ' C' ' 161' ' ' ARG . 55.5 m -60.08 -39.18 85.19 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.614 0.598 . . . . 10.0 112.614 -179.435 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 44.7 tp -58.47 -35.26 71.91 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.898 0.38 . . . . 10.0 110.704 179.33 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 62.2 t -64.61 -39.02 84.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.145 179.241 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 161' ' ' ARG . . . . . 0.671 ' HE ' ' HA ' ' C' ' 158' ' ' THR . 0.1 OUTLIER -62.27 -39.98 94.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.95 -0.568 . . . . 10.0 109.96 179.04 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -68.26 -31.16 70.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.676 -0.693 . . . . 10.0 111.147 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 95.6 mt -67.1 -44.86 87.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 N-CA-C 109.534 -0.543 . . . . 10.0 109.534 178.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 37.5 mtt85 -67.53 -38.45 84.25 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.561 -0.533 . . . . 10.0 109.561 178.732 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -59.57 -38.81 82.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.268 -0.878 . . . . 10.0 109.771 179.293 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -65.01 -47.96 75.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.323 -0.853 . . . . 10.0 110.418 179.033 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 97.1 mttt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 115.944 -0.571 . . . . 10.0 111.036 -179.894 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 8.2 tmtm? . . . . . 0 CA--C 1.523 -0.096 0 CA-C-O 120.607 0.242 . . . . 10.0 111.437 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 86.4 mt -68.01 -36.42 79.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.92 0.391 . . . . 10.0 110.791 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 54.2 mt -69.78 -39.79 76.42 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.656 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -68.97 -44.34 73.12 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.721 -0.672 . . . . 10.0 110.663 179.51 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -73.94 -14.22 61.01 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.037 -0.529 . . . . 10.0 111.912 -179.703 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 21.3 t90 -69.51 -32.62 71.59 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 108.806 -0.813 . . . . 10.0 108.806 178.714 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -62.57 -40.7 97.72 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.371 -0.831 . . . . 10.0 110.478 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.38 -40.75 91.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.773 -0.649 . . . . 10.0 110.354 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 39.0 t -70.59 -40.03 76.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.041 178.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 26.5 m -59.76 -46.1 90.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.702 -0.681 . . . . 10.0 111.637 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 2.7 p -65.86 -45.03 83.64 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.049 0.452 . . . . 10.0 110.238 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 213' ' ' THR . . . . . 0.623 ' O ' ' HG ' ' A' ' 217' ' ' LEU . 39.2 m -58.23 -46.27 86.2 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.05 178.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.8 -40.35 88.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.573 179.273 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 14.2 m -62.65 -46.59 87.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.227 -0.442 . . . . 10.0 109.991 179.043 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 40.5 mmtt -60.86 -41.51 96.05 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.965 -0.562 . . . . 10.0 109.885 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 217' ' ' LEU . . . . . 0.623 ' HG ' ' O ' ' A' ' 213' ' ' THR . 88.9 mt -64.15 -42.58 96.71 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.3 179.262 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 24.4 ttm180 -65.78 -40.32 91.88 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.312 -0.403 . . . . 10.0 110.676 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -66.48 -27.94 68.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.014 0.435 . . . . 10.0 110.356 178.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -82.63 -28.93 30.42 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.74 -0.664 . . . . 10.0 109.411 178.469 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 221' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 221' ' ' LEU . 13.9 mt -55.86 -41.58 74.58 Favored 'General case' 0 C--O 1.225 -0.196 0 CA-C-N 116.264 -0.425 . . . . 10.0 111.58 179.75 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -53.21 -67.84 1.93 Allowed Glycine 0 CA--C 1.518 0.263 0 N-CA-C 111.435 -0.666 . . . . 10.0 111.435 179.027 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -51.73 -44.9 41.54 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.996 2.464 . . . . 10.0 111.371 178.045 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 224' ' ' VAL . . . . . 0.634 HG22 ' HD3' ' D' ' 550' ' ' LYS . 25.0 t -55.43 -48.76 76.64 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-O 120.636 0.255 . . . . 10.0 110.694 179.316 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 225' ' ' THR . . . . . 0.444 ' O ' ' HB2' ' A' ' 229' ' ' TRP . 30.4 m -62.6 -44.67 95.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.068 -0.515 . . . . 10.0 109.971 179.541 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -61.72 -51.72 67.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.329 -0.396 . . . . 10.0 111.241 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -60.31 -47.36 86.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.921 -0.581 . . . . 10.0 111.257 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -64.68 -43.12 94.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.342 -0.39 . . . . 10.0 110.947 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 229' ' ' TRP . . . . . 0.444 ' HB2' ' O ' ' A' ' 225' ' ' THR . 1.1 m-90 -65.6 -37.01 85.41 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 116.272 -0.422 . . . . 10.0 111.46 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -59.35 -44.65 92.64 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.34 -0.615 . . . . 10.0 109.34 178.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 231' ' ' ASN . . . . . 0.688 ' HA ' ' HE2' ' A' ' 234' ' ' LYS . 78.6 m-20 -69.22 -34.61 75.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.483 -0.781 . . . . 10.0 109.611 178.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 41.9 mt -67.42 -32.8 73.93 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.976 -0.556 . . . . 10.0 109.522 178.242 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 233' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 229' ' ' TRP . 13.5 mm-40 -65.58 -42.96 91.15 Favored 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 109.048 -0.723 . . . . 10.0 109.048 178.059 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 234' ' ' LYS . . . . . 0.688 ' HE2' ' HA ' ' A' ' 231' ' ' ASN . 13.0 mtmt -69.09 -32.4 71.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.745 -0.661 . . . . 10.0 109.26 178.429 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.5 -48.48 66.98 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 115.733 -0.667 . . . . 10.0 109.892 178.753 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 2.5 p -67.18 -40.65 86.58 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.051 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -59.01 -44.67 91.72 Favored 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 109.622 -0.51 . . . . 10.0 109.622 178.727 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -59.22 -46.4 93.88 Favored Glycine 0 N--CA 1.448 -0.502 0 N-CA-C 110.7 -0.96 . . . . 10.0 110.7 178.362 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 239' ' ' LEU . . . . . 0.567 ' HA ' ' HB2' ' A' ' 242' ' ' GLU . 14.5 mt -68.37 -27.51 66.3 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.686 0.279 . . . . 10.0 111.691 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -68.96 -38.02 79.16 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.246 0.546 . . . . 10.0 109.689 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -75.88 -36.22 59.58 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.413 -0.958 . . . . 10.0 108.413 177.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 242' ' ' GLU . . . . . 0.567 ' HB2' ' HA ' ' A' ' 239' ' ' LEU . 1.1 mt-10 -64.13 -37.95 89.31 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 115.046 -0.979 . . . . 10.0 109.962 178.26 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 243' ' ' MET . . . . . 0.653 ' HG3' HD12 ' A' ' 247' ' ' LEU . 48.7 ttm -55.84 -36.59 67.69 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.699 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 2.3 m -68.52 0.89 3.54 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.848 -0.615 . . . . 10.0 111.745 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -133.3 -56.09 0.91 Allowed 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.136 179.112 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 246' ' ' ASP . . . . . 0.595 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 17.4 t70 -55.94 -41.5 74.74 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.706 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 247' ' ' LEU . . . . . 0.653 HD12 ' HG3' ' A' ' 243' ' ' MET . 17.4 mt -98.44 -40.76 8.12 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.151 0.426 . . . . 10.0 112.151 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -61.95 -43.93 97.81 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.934 -0.306 . . . . 10.0 111.614 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -68.36 -34.44 76.08 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.953 -0.299 . . . . 10.0 111.043 179.475 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 250' ' ' VAL . . . . . 0.789 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 0.8 OUTLIER -66.96 -22.29 29.34 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.513 0 C-N-CA 120.681 -0.408 . . . . 10.0 110.668 179.768 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 251' ' ' LYS . . . . . 0.5 ' HG3' ' O ' ' A' ' 247' ' ' LEU . 82.3 mttt -86.47 -46.61 10.04 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.371 -0.603 . . . . 10.0 109.371 178.174 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -64.14 -37.35 87.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.978 -0.555 . . . . 10.0 110.967 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -86.36 -15.65 39.82 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.213 -0.449 . . . . 10.0 111.464 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 254' ' ' VAL . . . . . 0.789 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.3 OUTLIER -67.99 -25.69 32.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.654 -0.418 . . . . 10.0 110.727 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 255' ' ' GLN . . . . . 0.587 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 9.2 mt-30 -60.28 -62.2 6.41 Favored Pre-proline 0 N--CA 1.452 -0.336 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.513 179.384 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 256' ' ' PRO . . . . . 0.587 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 38.3 Cg_endo -68.35 -28.91 32.54 Favored 'Trans proline' 0 C--N 1.356 0.921 0 C-N-CA 121.62 1.546 . . . . 10.0 111.68 178.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 6.7 m-30 -65.81 -54.59 24.85 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-O 120.87 0.367 . . . . 10.0 110.678 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 258' ' ' LEU . . . . . 0.564 ' HG ' HG22 ' A' ' 254' ' ' VAL . 62.6 mt -66.7 -35.04 79.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.371 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -63.47 -46.76 84.72 Favored 'General case' 0 CA--C 1.517 -0.324 0 O-C-N 123.41 0.444 . . . . 10.0 110.036 178.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -56.58 -53.29 59.31 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.187 179.231 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -63.41 -41.65 98.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.569 -0.742 . . . . 10.0 111.467 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.54 -40.98 85.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.537 0.208 . . . . 10.0 111.101 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.32 -44.99 95.22 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.08 -0.711 . . . . 10.0 109.08 179.302 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 264' ' ' LYS . . . . . 0.595 ' NZ ' ' HB2' ' D' ' 513' ' ' ALA . 78.2 mttt -68.4 -36.6 79.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.689 -0.687 . . . . 10.0 109.755 178.461 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -63.12 -39.09 93.66 Favored 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 109.585 -0.524 . . . . 10.0 109.585 178.574 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -59.58 -49.47 77.65 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 108.883 -0.784 . . . . 10.0 108.883 178.555 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -64.25 -41.16 97.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.656 -0.702 . . . . 10.0 110.39 179.14 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 268' ' ' GLU . . . . . 0.471 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 4.9 mt-10 -60.87 -44.31 97.23 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.951 -0.388 . . . . 10.0 109.951 178.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 90.9 mmm -68.17 -42.73 79.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.947 -0.57 . . . . 10.0 110.063 179.087 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -60.77 -50.22 74.33 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 116.227 -0.442 . . . . 10.0 109.843 179.095 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 271' ' ' LEU . . . . . 0.49 ' O ' ' HD3' ' A' ' 275' ' ' LYS . 39.0 mt -60.28 -39.18 85.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.064 -0.517 . . . . 10.0 109.89 178.759 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 272' ' ' TYR . . . . . 0.422 ' HD1' ' HA ' ' A' ' 272' ' ' TYR . 0.5 OUTLIER -63.23 -50.87 68.51 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.174 -0.466 . . . . 10.0 109.948 178.644 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 61.0 mtt85 -63.59 -38.57 91.63 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.62 -0.264 . . . . 10.0 110.985 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 44.4 mm-40 -63.9 -25.81 68.32 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.646 179.433 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 275' ' ' LYS . . . . . 0.622 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 11.1 mptt -93.33 -30.69 15.0 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.963 -0.562 . . . . 10.0 109.855 178.46 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 276' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 272' ' ' TYR . 4.2 t -55.59 -45.42 78.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 10.0 111.746 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 277' ' ' GLU . . . . . 0.405 ' HB2' ' CD ' ' A' ' 278' ' ' PRO . 12.7 mt-10 -58.87 -61.14 8.36 Favored Pre-proline 0 C--O 1.234 0.262 0 N-CA-C 112.729 0.64 . . . . 10.0 112.729 -179.509 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 278' ' ' PRO . . . . . 0.405 ' CD ' ' HB2' ' A' ' 277' ' ' GLU . 20.4 Cg_endo -60.89 -42.38 38.09 Favored 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 122.026 1.817 . . . . 10.0 112.347 179.35 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 279' ' ' LEU . . . . . 0.756 HD22 ' HE3' ' D' ' 495' ' ' LYS . 20.0 mt -63.36 -41.61 98.84 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 121.007 -0.277 . . . . 10.0 110.875 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -62.21 -42.05 98.94 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 109.397 -0.594 . . . . 10.0 109.397 178.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -62.88 -46.84 85.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.804 -0.634 . . . . 10.0 110.038 179.193 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -59.08 -48.53 81.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.195 179.176 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 94.1 mt -62.86 -39.04 93.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.593 -0.731 . . . . 10.0 110.577 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -64.22 -50.36 68.32 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.677 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -62.09 -41.62 98.38 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.207 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -64.21 -47.22 87.15 Favored Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 110.767 -0.933 . . . . 10.0 110.767 178.563 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -58.58 -40.65 83.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.601 0.239 . . . . 10.0 110.42 179.496 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -56.59 -46.82 80.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.477 179.132 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 11.0 tm0? -72.43 -49.2 35.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.86 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -57.6 -43.38 84.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.09 -0.504 . . . . 10.0 112.128 -179.649 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 92.3 mt -72.84 -38.39 67.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.641 -0.254 . . . . 10.0 111.126 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 24.0 t-80 -65.06 -36.93 85.9 Favored 'General case' 0 CA--C 1.521 -0.155 0 N-CA-C 108.663 -0.866 . . . . 10.0 108.663 178.72 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -60.88 -36.2 78.59 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 115.235 -0.893 . . . . 10.0 109.006 178.18 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 13.4 mt -71.04 -42.42 69.52 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 115.503 -0.771 . . . . 10.0 109.853 178.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 295' ' ' GLN . . . . . 0.457 ' HA ' ' HB2' ' A' ' 298' ' ' LEU . 66.3 mt-30 -62.43 -30.89 71.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.376 179.371 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -67.5 -9.32 41.19 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.792 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 297' ' ' LYS . . . . . 0.565 ' HB3' HD12 ' A' ' 301' ' ' LEU . 58.7 mmtt -112.74 -37.8 4.76 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.617 -0.883 . . . . 10.0 108.617 178.117 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 298' ' ' LEU . . . . . 0.542 ' O ' ' HA3' ' A' ' 302' ' ' GLY . 43.6 mt -57.69 -32.17 67.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.524 -0.762 . . . . 10.0 111.978 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 299' ' ' SER . . . . . 0.844 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 1.1 m -87.31 -67.3 0.16 Allowed Pre-proline 0 CA--C 1.537 0.461 0 N-CA-C 112.137 0.421 . . . . 10.0 112.137 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 300' ' ' PRO . . . . . 0.844 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 43.4 Cg_exo -59.6 -55.85 1.55 Allowed 'Trans proline' 0 C--N 1.355 0.887 0 C-N-CA 122.28 1.987 . . . . 10.0 112.63 -179.606 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 301' ' ' LEU . . . . . 0.565 HD12 ' HB3' ' A' ' 297' ' ' LYS . 88.9 mt -73.87 -21.24 60.17 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.06 0.457 . . . . 10.0 110.385 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 302' ' ' GLY . . . . . 0.542 ' HA3' ' O ' ' A' ' 298' ' ' LEU . . . -70.53 -52.58 15.71 Favored Glycine 0 N--CA 1.443 -0.852 0 N-CA-C 111.017 -0.833 . . . . 10.0 111.017 178.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -65.33 -34.57 78.64 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.675 -0.491 . . . . 10.0 109.675 178.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -63.02 -41.33 99.52 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.603 -0.726 . . . . 10.0 109.479 178.122 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 7.4 tpt -66.04 -42.76 89.12 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.659 -0.7 . . . . 10.0 109.513 178.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 306' ' ' ARG . . . . . 0.48 ' O ' ' HG3' ' A' ' 310' ' ' ARG . 70.4 mtt180 -59.51 -44.67 93.07 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.299 178.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 307' ' ' ASP . . . . . 0.506 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 27.6 t70 -65.97 -41.87 90.6 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.828 179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 308' ' ' ARG . . . . . 0.656 ' HG3' HD21 ' D' ' 469' ' ' LEU . 19.8 mmt180 -65.48 -31.98 73.35 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.258 -0.645 . . . . 10.0 109.258 178.411 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 309' ' ' ALA . . . . . 0.52 ' HA ' ' HB2' ' A' ' 312' ' ' HIS . . . -68.43 -35.88 78.24 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 108.906 -0.776 . . . . 10.0 108.906 178.265 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 310' ' ' ARG . . . . . 0.506 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 75.9 mtt180 -58.71 -42.77 89.41 Favored 'General case' 0 CA--C 1.516 -0.335 0 N-CA-C 108.998 -0.741 . . . . 10.0 108.998 177.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -71.34 -38.81 71.61 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.663 -0.699 . . . . 10.0 109.557 178.689 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 312' ' ' HIS . . . . . 0.52 ' HB2' ' HA ' ' A' ' 309' ' ' ALA . 0.1 OUTLIER -54.9 -51.26 66.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.437 -0.801 . . . . 10.0 109.521 178.443 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 313' ' ' VAL . . . . . 0.583 ' HA ' HD12 ' A' ' 316' ' ' LEU . 21.1 t -76.68 -29.72 18.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.541 -0.754 . . . . 10.0 111.522 -179.68 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -63.03 -48.51 78.46 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.548 -0.538 . . . . 10.0 109.548 179.112 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -59.38 -36.81 76.48 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.011 -0.737 . . . . 10.0 109.011 178.57 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 316' ' ' LEU . . . . . 0.583 HD12 ' HA ' ' A' ' 313' ' ' VAL . 44.8 mt -66.12 -53.49 37.24 Favored 'General case' 0 C--O 1.219 -0.548 0 CA-C-N 115.32 -0.855 . . . . 10.0 109.38 178.512 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 17.5 mtm105 -56.09 -43.13 77.75 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.184 0.439 . . . . 10.0 112.184 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 2.0 m -69.88 -23.1 63.2 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.01 0.374 . . . . 10.0 112.01 -179.284 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 7.9 m170 -97.56 -41.7 8.03 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 111.779 0.288 . . . . 10.0 111.779 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 93.3 mt -64.17 -33.57 76.1 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.917 0.34 . . . . 10.0 111.917 -179.358 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 321' ' ' ALA . . . . . 0.404 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -55.94 -62.47 4.62 Favored Pre-proline 0 CA--C 1.535 0.392 0 C-N-CA 121.079 -0.248 . . . . 10.0 111.497 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 322' ' ' PRO . . . . . 0.404 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 28.6 Cg_endo -66.12 -33.44 40.53 Favored 'Trans proline' 0 C--N 1.354 0.834 0 C-N-CA 121.393 1.396 . . . . 10.0 111.125 178.827 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 323' ' ' TYR . . . . . 0.429 ' O ' ' HG ' ' A' ' 327' ' ' LEU . 10.0 m-30 -61.78 -47.72 83.91 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.553 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 324' ' ' SER . . . . . 0.458 ' HA ' HD12 ' A' ' 327' ' ' LEU . 25.0 p -66.53 -37.74 85.67 Favored 'General case' 0 CA--C 1.517 -0.301 0 O-C-N 123.279 0.362 . . . . 10.0 110.338 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 325' ' ' ASP . . . . . 0.805 ' HA ' ' HD2' ' A' ' 328' ' ' ARG . 8.1 t0 -64.35 -39.11 93.23 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.247 0.546 . . . . 10.0 109.668 179.128 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -70.67 -30.6 67.23 Favored 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 108.906 -0.775 . . . . 10.0 108.906 177.661 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 327' ' ' LEU . . . . . 0.695 HD23 ' HD2' ' A' ' 330' ' ' ARG . 67.9 mt -69.77 -32.28 70.7 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 108.672 -0.862 . . . . 10.0 108.672 178.121 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 328' ' ' ARG . . . . . 0.805 ' HD2' ' HA ' ' A' ' 325' ' ' ASP . 83.1 mtt180 -63.37 -38.66 92.0 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 108.701 -0.852 . . . . 10.0 108.701 177.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -66.55 -41.44 88.69 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 108.709 -0.849 . . . . 10.0 108.709 177.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 330' ' ' ARG . . . . . 0.866 HH21 ' HB3' ' D' ' 447' ' ' GLU . 34.3 mtt180 -59.41 -49.53 77.45 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 115.533 -0.758 . . . . 10.0 109.873 178.655 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 25.0 mt -56.96 -44.95 83.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.681 -0.69 . . . . 10.0 110.233 179.13 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 332' ' ' ALA . . . . . 0.473 ' O ' ' HB2' ' A' ' 336' ' ' GLU . . . -63.31 -42.7 99.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.607 179.744 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -66.45 -48.78 68.84 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.791 179.457 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 28.4 mmt180 -60.82 -51.69 68.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.855 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 335' ' ' LEU . . . . . 0.576 ' O ' ' HB2' ' A' ' 339' ' ' LYS . 35.7 mt -64.05 -37.88 89.05 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.152 0.427 . . . . 10.0 112.152 -179.237 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 336' ' ' GLU . . . . . 0.473 ' HB2' ' O ' ' A' ' 332' ' ' ALA . 11.2 tt0 -65.61 -44.14 87.46 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.765 -0.374 . . . . 10.0 110.543 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -65.83 -45.04 83.72 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 109.937 -0.394 . . . . 10.0 109.937 179.32 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 89.9 mt -72.06 -11.63 60.84 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.85 -0.614 . . . . 10.0 111.697 179.53 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 339' ' ' LYS . . . . . 0.576 ' HB2' ' O ' ' A' ' 335' ' ' LEU . 46.9 tttt -89.16 -45.94 9.19 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.924 0.393 . . . . 10.0 110.098 179.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -66.15 -48.16 71.7 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 108.831 -0.803 . . . . 10.0 108.831 178.393 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 341' ' ' ASN . . . . . 0.412 ' O ' ' HG3' ' A' ' 345' ' ' ARG . 15.2 t-20 -70.31 -35.77 73.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.347 -0.842 . . . . 10.0 109.045 178.342 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -62.12 -45.54 95.85 Favored Glycine 0 N--CA 1.448 -0.538 0 CA-C-N 115.681 -0.69 . . . . 10.0 111.78 179.566 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -62.83 -37.88 95.59 Favored Glycine 0 N--CA 1.445 -0.715 0 N-CA-C 110.58 -1.008 . . . . 10.0 110.58 178.7 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 344' ' ' ALA . . . . . 0.505 ' O ' ' HB2' ' A' ' 348' ' ' GLU . . . -64.95 -43.2 93.46 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 109.685 -0.487 . . . . 10.0 109.685 178.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 345' ' ' ARG . . . . . 0.483 ' HG2' ' OD1' ' D' ' 429' ' ' ASN . 49.9 mtm180 -63.52 -44.1 95.25 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.102 -0.499 . . . . 10.0 109.818 179.005 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 47.7 mt -60.65 -54.84 40.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.72 -0.673 . . . . 10.0 110.773 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.26 -43.2 82.81 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.216 0.532 . . . . 10.0 110.635 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 348' ' ' GLU . . . . . 0.514 ' HB3' ' HE2' ' A' ' 352' ' ' LYS . 2.7 tt0 -64.7 -46.15 83.58 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.601 -0.727 . . . . 10.0 110.113 179.56 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -63.05 -31.85 73.08 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.747 0.277 . . . . 10.0 111.747 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 32.3 m-70 -66.01 -40.13 90.83 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.604 -0.887 . . . . 10.0 108.604 177.761 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -68.86 -41.44 78.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.399 -0.819 . . . . 10.0 109.44 178.695 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 352' ' ' LYS . . . . . 0.514 ' HE2' ' HB3' ' A' ' 348' ' ' GLU . 38.4 mttm -61.97 -44.22 97.2 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.023 -0.732 . . . . 10.0 109.023 178.448 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -61.79 -32.78 73.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.648 -0.705 . . . . 10.0 109.982 179.117 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 57.7 m -66.0 -43.2 88.42 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.794 -0.817 . . . . 10.0 108.794 179.219 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -63.94 -38.64 91.83 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.533 -0.543 . . . . 10.0 109.533 177.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 -64.71 -40.21 94.97 Favored 'General case' 0 C--O 1.223 -0.333 0 N-CA-C 109.303 -0.629 . . . . 10.0 109.303 178.254 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 68.6 mt -66.66 -38.0 85.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.568 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 20.2 m -63.11 -40.62 98.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.254 179.561 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.32 -32.02 54.99 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.521 -0.548 . . . . 10.0 109.521 179.185 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 30.6 tp -66.18 -30.12 70.53 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-N 115.717 -0.674 . . . . 10.0 109.446 178.512 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 50.5 m -63.09 -33.78 76.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.831 -0.622 . . . . 10.0 109.331 178.675 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 362' ' ' GLU . . . . . 0.623 ' HA ' ' HD2' ' A' ' 366' ' ' PRO . 20.7 mm-40 -72.34 -17.76 61.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.825 -0.625 . . . . 10.0 110.195 178.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 363' ' ' LYS . . . . . 0.674 ' HE2' HG23 ' D' ' 411' ' ' THR . 81.1 mttt -92.38 -38.08 12.22 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.01 179.056 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -80.51 -19.64 45.38 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.539 -0.755 . . . . 10.0 112.582 -179.2 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 365' ' ' LYS . . . . . 1.012 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 71.2 mttt -113.97 -77.41 0.01 OUTLIER Pre-proline 0 CA--C 1.538 0.506 0 N-CA-C 112.547 0.573 . . . . 10.0 112.547 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 366' ' ' PRO . . . . . 1.012 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 35.4 Cg_exo -58.37 -51.03 8.21 Favored 'Trans proline' 0 C--N 1.357 0.99 0 C-N-CA 121.846 1.697 . . . . 10.0 112.755 -179.356 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 367' ' ' ALA . . . . . 0.658 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -63.35 -44.53 94.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.562 -0.29 . . . . 10.0 111.373 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 368' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 368' ' ' LEU . 2.7 mt -61.57 -44.88 96.22 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 121.014 -0.274 . . . . 10.0 110.917 179.674 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -63.81 -39.36 94.06 Favored 'General case' 0 C--O 1.224 -0.245 0 N-CA-C 109.485 -0.561 . . . . 10.0 109.485 178.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -62.33 -48.11 81.27 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.591 -0.731 . . . . 10.0 109.605 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 371' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 367' ' ' ALA . 92.6 mt -64.73 -40.37 95.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.795 179.463 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 78.8 mtt180 -63.65 -49.69 72.24 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.698 179.282 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -64.84 -27.3 68.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.706 179.627 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -79.68 -42.07 11.95 Favored Glycine 0 N--CA 1.444 -0.774 0 C-N-CA 120.783 -0.722 . . . . 10.0 112.005 179.214 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 375' ' ' LEU . . . . . 0.465 ' O ' ' HG ' ' A' ' 379' ' ' LEU . 51.7 mt -76.57 -28.46 56.24 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.752 0.649 . . . . 10.0 112.752 -179.498 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 19.0 mt -49.69 -57.94 10.7 Favored Pre-proline 0 CA--C 1.537 0.457 0 N-CA-C 112.876 0.695 . . . . 10.0 112.876 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.72 -22.41 50.12 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 121.898 1.732 . . . . 10.0 111.318 179.387 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 76.7 t -72.31 -40.03 64.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 108.535 -0.913 . . . . 10.0 108.535 178.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 379' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 375' ' ' LEU . 72.5 mt -64.66 -36.89 85.71 Favored 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 108.816 -0.809 . . . . 10.0 108.816 178.104 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -63.85 -49.15 73.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.619 -0.718 . . . . 10.0 110.123 178.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.37 -35.26 79.89 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.23 179.43 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.7 -39.4 91.35 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 115.926 -0.579 . . . . 10.0 109.693 178.527 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 383' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 379' ' ' LEU . 86.2 mttt -62.55 -34.55 77.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.98 -0.555 . . . . 10.0 109.513 178.677 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 87.1 t -67.36 -46.47 83.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.816 -0.629 . . . . 10.0 109.604 179.085 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.98 -41.5 95.37 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.923 0.392 . . . . 10.0 110.383 179.312 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 386' ' ' PHE . . . . . 0.435 ' O ' ' HG ' ' A' ' 390' ' ' LEU . 1.7 m-85 -60.34 -51.25 70.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.73 -0.668 . . . . 10.0 111.206 179.642 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 90.2 mt -60.27 -44.24 95.5 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.3 -0.409 . . . . 10.0 111.023 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 388' ' ' SER . . . . . 0.54 ' HB3' ' HE2' ' D' ' 594' ' ' LYS . 19.8 m -62.38 -44.26 96.87 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.892 -0.594 . . . . 10.0 110.448 179.489 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -63.79 -43.55 95.99 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.548 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 390' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 386' ' ' PHE . 70.4 mt -59.1 -43.0 91.83 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.509 -0.314 . . . . 10.0 110.471 179.33 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -62.98 -37.4 86.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.779 -0.646 . . . . 10.0 110.312 178.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 392' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 388' ' ' SER . 68.7 mm-40 -61.42 -40.7 95.4 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.464 179.173 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -64.86 -42.42 94.89 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.8 -0.636 . . . . 10.0 110.702 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 394' ' ' THR . . . . . 0.407 ' O ' ' HB3' ' A' ' 398' ' ' ASN . 1.1 m -70.73 -35.25 72.61 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.853 0.359 . . . . 10.0 110.467 179.565 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -71.18 -41.78 69.89 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.941 0.719 . . . . 10.0 112.941 -179.092 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 396' ' ' LYS . . . . . 0.621 ' HE2' ' HA ' ' D' ' 587' ' ' ALA . 13.7 mptt -93.15 -40.11 10.67 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 114.246 1.202 . . . . 10.0 114.246 -177.787 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 82.7 mt -83.45 -3.0 57.18 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.137 0.421 . . . . 10.0 112.137 -179.096 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 398' ' ' ASN . . . . . 0.407 ' HB3' ' O ' ' A' ' 394' ' ' THR . 30.3 t30 . . . . . 0 C--N 1.322 -0.617 0 CA-C-N 116.366 -0.379 . . . . 10.0 110.201 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 2.3 mm? . . . . . 0 CA--C 1.52 -0.186 0 CA-C-O 121.403 0.62 . . . . 10.0 110.106 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 4.5 mtpm? -122.53 17.62 10.45 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.247 -0.888 . . . . 10.0 109.516 179.368 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 71.8 mt -66.67 -40.9 88.79 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.409 -0.814 . . . . 10.0 110.148 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 84.5 mt -64.28 -35.34 80.52 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.652 -0.704 . . . . 10.0 109.841 178.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -64.63 -43.6 93.18 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.53 -0.759 . . . . 10.0 109.883 179.018 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 404' ' ' ASN . . . . . 0.434 ' O ' HG23 ' D' ' 408' ' ' VAL . 25.2 t-20 -70.86 -39.11 73.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.267 179.426 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -60.83 -37.37 81.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.975 -0.557 . . . . 10.0 111.159 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -61.61 -44.54 96.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.441 -0.345 . . . . 10.0 110.135 179.146 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.28 -42.01 85.61 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.972 -0.558 . . . . 10.0 109.972 178.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 408' ' ' VAL . . . . . 0.434 HG23 ' O ' ' D' ' 404' ' ' ASN . 46.3 t -65.43 -39.8 86.34 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 CA-C-N 115.91 -0.586 . . . . 10.0 109.75 179.061 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 27.4 m -62.97 -43.57 98.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.713 -0.676 . . . . 10.0 109.914 179.112 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 410' ' ' SER . . . . . 0.414 ' O ' ' HG2' ' D' ' 414' ' ' LYS . 7.6 m -62.39 -35.53 79.49 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 109.453 -0.573 . . . . 10.0 109.453 178.785 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 411' ' ' THR . . . . . 0.674 HG23 ' HE2' ' A' ' 363' ' ' LYS . 45.4 m -61.42 -45.34 94.72 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.574 -0.739 . . . . 10.0 109.688 178.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -68.03 -35.19 77.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.812 179.314 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 15.9 m -61.36 -46.44 90.22 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.608 -0.516 . . . . 10.0 109.608 179.123 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 414' ' ' LYS . . . . . 0.414 ' HG2' ' O ' ' D' ' 410' ' ' SER . 24.9 mmtt -66.09 -29.38 69.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.778 -0.647 . . . . 10.0 110.19 179.27 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 10.7 mt -70.25 -40.44 74.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.05 -0.523 . . . . 10.0 109.707 178.529 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 81.1 mtt180 -68.18 -32.8 73.31 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.815 -0.63 . . . . 10.0 110.375 179.283 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -67.05 -27.2 67.19 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.664 -0.698 . . . . 10.0 109.614 178.314 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -81.19 -49.43 10.82 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.391 -0.822 . . . . 10.0 109.075 178.158 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 81.6 mt -44.76 -42.91 8.13 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.18 -0.918 . . . . 10.0 112.387 -179.313 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -54.17 -79.27 0.09 OUTLIER Glycine 0 C--N 1.333 0.377 0 C-N-CA 121.118 -0.563 . . . . 10.0 112.569 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 421' ' ' PRO . . . . . 0.524 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 50.6 Cg_exo -55.56 -38.73 93.82 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.937 2.425 . . . . 10.0 112.433 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 20.7 t -58.77 -44.63 90.65 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 CA-C-N 116.586 -0.279 . . . . 10.0 111.692 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 33.9 p -73.64 -33.78 64.67 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.651 -0.42 . . . . 10.0 110.363 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -58.31 -51.83 68.16 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.424 -0.584 . . . . 10.0 109.424 178.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 425' ' ' GLU . . . . . 0.524 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 12.2 pt-20 -75.96 -26.04 56.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.884 -0.598 . . . . 10.0 111.051 179.65 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 426' ' ' PHE . . . . . 0.42 ' O ' ' HG ' ' D' ' 430' ' ' LEU . 46.2 t80 -65.95 -44.55 84.67 Favored 'General case' 0 CA--C 1.514 -0.412 0 N-CA-C 109.121 -0.696 . . . . 10.0 109.121 178.678 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 12.3 m0 -65.5 -38.83 90.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.465 -0.788 . . . . 10.0 109.498 178.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -65.86 -40.79 92.0 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.023 -0.732 . . . . 10.0 109.023 178.039 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 429' ' ' ASN . . . . . 0.483 ' OD1' ' HG2' ' A' ' 345' ' ' ARG . 4.8 t30 -62.69 -45.85 90.88 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.694 -0.854 . . . . 10.0 108.694 177.559 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 430' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' D' ' 426' ' ' PHE . 52.0 mt -58.3 -37.97 76.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.409 -0.814 . . . . 10.0 110.266 178.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -64.51 -42.22 95.93 Favored 'General case' 0 CA--C 1.523 -0.066 0 CA-C-N 116.561 -0.29 . . . . 10.0 110.432 178.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 36.0 mttp -64.35 -44.18 92.25 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 109.076 -0.713 . . . . 10.0 109.076 178.615 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 433' ' ' GLU . . . . . 0.567 ' O ' ' HG ' ' D' ' 437' ' ' LEU . 22.9 mt-10 -64.04 -55.35 22.87 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.393 -0.821 . . . . 10.0 110.887 179.683 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 16.9 p -57.15 -45.56 83.48 Favored 'General case' 0 C--O 1.226 -0.174 0 CA-C-N 116.339 -0.391 . . . . 10.0 111.674 -179.087 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -60.56 -46.92 88.4 Favored 'General case' 0 CA--C 1.519 -0.225 0 O-C-N 122.954 0.159 . . . . 10.0 110.691 179.067 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -60.66 -47.38 91.45 Favored Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 110.597 -1.001 . . . . 10.0 110.597 178.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 437' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' D' ' 433' ' ' GLU . 54.3 mt -63.71 -35.19 79.75 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-O 120.652 0.263 . . . . 10.0 110.546 179.301 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 42.3 mtt180 -62.96 -41.83 99.64 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.781 -0.451 . . . . 10.0 109.781 179.153 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -67.18 -37.45 83.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.065 -0.516 . . . . 10.0 109.966 178.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -67.76 -43.67 79.32 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.712 -0.676 . . . . 10.0 109.534 178.269 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 96.6 mmm -70.42 -35.28 73.32 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.254 -0.885 . . . . 10.0 113.172 -178.611 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 2.5 p -63.84 -48.89 74.97 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.529 -0.545 . . . . 10.0 109.529 179.286 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -64.13 -36.55 84.4 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.694 -0.684 . . . . 10.0 109.22 178.341 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -63.77 -56.18 17.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.138 -0.937 . . . . 10.0 110.391 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 445' ' ' LEU . . . . . 0.401 ' O ' ' HG3' ' D' ' 449' ' ' LYS . 79.6 mt -60.34 -46.32 90.35 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.299 0.481 . . . . 10.0 112.299 -179.113 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -60.91 -44.94 96.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.121 0.486 . . . . 10.0 110.637 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 447' ' ' GLU . . . . . 0.866 ' HB3' HH21 ' A' ' 330' ' ' ARG . 20.2 tt0 -72.01 -27.63 62.86 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.197 179.751 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 448' ' ' VAL . . . . . 0.411 HG23 HH22 ' A' ' 330' ' ' ARG . 2.0 t -61.9 -42.15 93.58 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.307 0 N-CA-C 108.895 -0.78 . . . . 10.0 108.895 178.47 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 449' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' D' ' 445' ' ' LEU . 78.3 mttt -65.36 -38.58 90.49 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.232 -0.655 . . . . 10.0 109.232 178.754 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -79.06 5.07 12.73 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.579 -0.737 . . . . 10.0 111.288 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 451' ' ' LYS . . . . . 0.562 ' O ' ' HB2' ' D' ' 455' ' ' TYR . 60.0 mttm -121.19 -48.84 2.2 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.588 179.602 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 96.7 t -63.94 -40.79 90.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.477 -0.329 . . . . 10.0 111.366 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -56.97 -59.3 12.99 Favored Pre-proline 0 CA--C 1.535 0.371 0 C-N-CA 120.895 -0.322 . . . . 10.0 111.478 179.519 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -67.28 -30.31 37.4 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 121.779 1.652 . . . . 10.0 111.796 178.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 455' ' ' TYR . . . . . 0.562 ' HB2' ' O ' ' D' ' 451' ' ' LYS . 3.6 t80 -68.78 -40.84 79.46 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-O 120.561 0.22 . . . . 10.0 110.579 179.419 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 456' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' D' ' 456' ' ' LEU . 17.5 mt -65.58 -40.65 92.99 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 109.025 -0.732 . . . . 10.0 109.025 178.569 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -65.24 -44.46 88.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.486 -0.779 . . . . 10.0 109.514 178.455 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -62.53 -45.74 91.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.691 -0.686 . . . . 10.0 110.257 179.087 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.72 -40.66 88.5 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.517 178.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 460' ' ' GLN . . . . . 0.489 ' HA ' ' HB2' ' D' ' 463' ' ' TRP . 52.3 mt-30 -64.8 -29.24 70.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.765 0.317 . . . . 10.0 110.202 178.686 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 461' ' ' LYS . . . . . 0.436 ' O ' ' HG3' ' D' ' 465' ' ' GLU . 40.7 mttt -65.14 -45.34 85.42 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 108.339 -0.986 . . . . 10.0 108.339 177.739 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 27.1 mtmm -71.74 -35.39 70.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.182 -0.917 . . . . 10.0 110.01 178.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 463' ' ' TRP . . . . . 0.489 ' HB2' ' HA ' ' D' ' 460' ' ' GLN . 13.1 m0 -63.65 -39.81 95.29 Favored 'General case' 0 CA--C 1.518 -0.254 0 N-CA-C 109.267 -0.642 . . . . 10.0 109.267 178.317 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -63.81 -44.22 93.93 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 108.953 -0.758 . . . . 10.0 108.953 178.332 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 465' ' ' GLU . . . . . 0.481 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 27.0 mt-10 -57.61 -52.29 66.02 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 108.751 -0.833 . . . . 10.0 108.751 177.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -55.61 -47.61 76.25 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 115.554 -0.748 . . . . 10.0 110.487 179.505 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 2.7 mtm -61.99 -46.91 87.18 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.378 -0.374 . . . . 10.0 111.125 179.697 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -65.69 -34.42 78.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.842 0.353 . . . . 10.0 110.088 179.239 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 469' ' ' LEU . . . . . 0.656 HD21 ' HG3' ' A' ' 308' ' ' ARG . 64.0 mt -68.08 -38.5 82.44 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 115.89 -0.595 . . . . 10.0 109.575 178.812 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 11.4 m-30 -63.33 -41.61 98.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.112 0.482 . . . . 10.0 110.105 178.7 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 471' ' ' ARG . . . . . 0.877 ' HA ' ' HG3' ' D' ' 475' ' ' GLU . 81.5 mtt180 -72.81 -13.84 61.39 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.74 179.284 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -116.99 24.71 11.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.391 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 473' ' ' LYS . . . . . 0.534 ' HB2' ' O ' ' D' ' 469' ' ' LEU . 3.2 mttp -153.79 -66.82 0.14 Allowed 'General case' 0 C--O 1.221 -0.41 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.071 179.309 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 99.7 t -58.82 -44.75 91.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.83 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 475' ' ' GLU . . . . . 0.877 ' HG3' ' HA ' ' D' ' 471' ' ' ARG . 10.9 mt-10 -60.99 -58.69 17.43 Favored Pre-proline 0 CA--C 1.535 0.366 0 N-CA-C 111.675 0.25 . . . . 10.0 111.675 179.152 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 476' ' ' PRO . . . . . 0.773 ' HD3' ' HB2' ' D' ' 475' ' ' GLU . 52.3 Cg_exo -56.62 -38.29 95.85 Favored 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 121.851 1.701 . . . . 10.0 110.951 178.309 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 477' ' ' LEU . . . . . 0.469 HD21 ' HG3' ' A' ' 297' ' ' LYS . 34.4 mt -67.47 -31.81 72.22 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 116.3 -0.409 . . . . 10.0 110.098 179.087 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 478' ' ' ARG . . . . . 0.403 ' O ' ' HB2' ' D' ' 482' ' ' GLN . 28.8 mtt180 -64.71 -38.82 92.28 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 109.61 -0.515 . . . . 10.0 109.61 178.743 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -70.61 -43.32 69.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.766 -0.652 . . . . 10.0 109.497 178.696 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -61.96 -46.17 90.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.639 -0.71 . . . . 10.0 109.584 178.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 57.3 mt -70.75 -27.53 64.01 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.85 179.33 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 482' ' ' GLN . . . . . 0.403 ' HB2' ' O ' ' D' ' 478' ' ' ARG . 0.9 OUTLIER -67.53 -42.87 82.06 Favored 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 107.884 -1.154 . . . . 10.0 107.884 178.22 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -66.87 -44.25 81.4 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 108.641 -0.874 . . . . 10.0 108.641 178.238 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -62.01 -36.43 92.88 Favored Glycine 0 N--CA 1.447 -0.601 0 N-CA-C 111.086 -0.806 . . . . 10.0 111.086 178.562 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -69.94 -36.32 75.2 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.931 -0.396 . . . . 10.0 109.931 178.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 69.7 mtt180 -66.46 -41.57 88.85 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 108.747 -0.834 . . . . 10.0 108.747 178.107 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -65.34 -45.62 83.5 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 108.623 -0.88 . . . . 10.0 108.623 178.248 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 488' ' ' LYS . . . . . 0.493 ' O ' ' HG ' ' D' ' 492' ' ' LEU . 87.2 tttt -59.03 -44.07 91.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.519 -0.764 . . . . 10.0 109.953 179.054 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 489' ' ' LEU . . . . . 0.418 ' O ' ' HG3' ' D' ' 493' ' ' GLN . 2.5 mt -63.54 -39.53 94.65 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.971 -0.559 . . . . 10.0 109.815 178.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 16.1 t-160 -64.1 -45.48 88.45 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 108.791 -0.818 . . . . 10.0 108.791 178.377 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -58.02 -45.19 87.3 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 108.942 -0.762 . . . . 10.0 108.942 178.035 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 492' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' D' ' 488' ' ' LYS . 92.6 mt -64.57 -39.73 94.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.546 -0.752 . . . . 10.0 111.38 179.319 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 493' ' ' GLN . . . . . 0.418 ' HG3' ' O ' ' D' ' 489' ' ' LEU . 87.9 mt-30 -57.72 -43.07 85.03 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.045 0.45 . . . . 10.0 110.578 179.559 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -76.86 14.2 0.89 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.471 -0.786 . . . . 10.0 111.505 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 495' ' ' LYS . . . . . 0.756 ' HE3' HD22 ' A' ' 279' ' ' LEU . 18.1 mttp -131.49 -46.15 0.98 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.209 178.731 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 496' ' ' LEU . . . . . 0.56 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 82.5 mt -64.28 -25.94 68.27 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.112 -0.495 . . . . 10.0 111.022 179.564 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 497' ' ' SER . . . . . 0.559 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 2.3 m -84.52 -65.46 0.22 Allowed Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 116.434 -0.348 . . . . 10.0 111.845 179.47 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 498' ' ' PRO . . . . . 0.559 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 24.9 Cg_endo -62.89 -56.83 0.51 Allowed 'Trans proline' 0 C--N 1.358 1.056 0 C-N-CA 121.658 1.572 . . . . 10.0 112.438 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 499' ' ' LEU . . . . . 0.422 ' HB2' ' O ' ' D' ' 495' ' ' LYS . 10.1 mt -69.21 -29.96 68.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.471 0.177 . . . . 10.0 110.78 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 500' ' ' GLY . . . . . 0.56 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -64.35 -51.5 51.99 Favored Glycine 0 N--CA 1.449 -0.462 0 N-CA-C 111.431 -0.668 . . . . 10.0 111.431 179.377 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -70.87 -30.67 67.11 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.999 -0.371 . . . . 10.0 109.999 178.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 502' ' ' GLU . . . . . 0.576 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 31.3 tt0 -64.78 -46.59 81.45 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.018 -0.537 . . . . 10.0 109.619 179.037 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 503' ' ' MET . . . . . 0.535 ' HA ' ' HD2' ' D' ' 506' ' ' ARG . 74.4 mmm -61.66 -38.12 86.59 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 116.22 -0.445 . . . . 10.0 109.884 179.045 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 504' ' ' ARG . . . . . 0.444 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 51.3 mtt180 -66.06 -37.06 84.88 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.146 178.802 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 505' ' ' ASP . . . . . 0.418 ' O ' ' HB2' ' D' ' 508' ' ' ARG . 18.7 t70 -69.93 -36.24 75.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.303 0.573 . . . . 10.0 109.634 178.78 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 506' ' ' ARG . . . . . 0.576 ' HG3' ' O ' ' D' ' 502' ' ' GLU . 65.3 mtt180 -63.3 -45.68 90.23 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 107.365 -1.346 . . . . 10.0 107.365 177.287 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -59.39 -37.69 78.61 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 115.23 -0.896 . . . . 10.0 109.749 179.021 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 508' ' ' ARG . . . . . 0.444 ' HG3' ' O ' ' D' ' 504' ' ' ARG . 70.6 mtt180 -59.42 -45.75 90.67 Favored 'General case' 0 C--O 1.224 -0.279 0 N-CA-C 108.722 -0.844 . . . . 10.0 108.722 178.075 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 509' ' ' ALA . . . . . 0.566 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -65.53 -34.97 79.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.826 -0.625 . . . . 10.0 110.547 179.669 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 510' ' ' HIS . . . . . 0.509 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 41.6 m-70 -68.37 -48.41 64.83 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.085 0.469 . . . . 10.0 109.77 178.781 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 511' ' ' VAL . . . . . 0.443 ' O ' ' HG3' ' D' ' 515' ' ' ARG . 75.7 t -65.31 -41.91 92.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.709 -0.678 . . . . 10.0 110.246 179.539 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 512' ' ' ASP . . . . . 0.491 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 20.8 t0 -61.26 -37.52 83.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.165 179.395 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 513' ' ' ALA . . . . . 0.595 ' HB2' ' NZ ' ' A' ' 264' ' ' LYS . . . -66.49 -46.59 75.77 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.197 -0.668 . . . . 10.0 109.197 178.364 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 514' ' ' LEU . . . . . 0.628 ' HA ' ' HB2' ' D' ' 517' ' ' HIS . 69.7 mt -58.18 -23.65 56.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.522 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 515' ' ' ARG . . . . . 0.491 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 78.9 mtt180 -67.75 -25.5 65.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.968 0.413 . . . . 10.0 110.088 178.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 2.5 m -112.23 -13.92 13.42 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.159 0.504 . . . . 10.0 110.058 179.239 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 517' ' ' HIS . . . . . 0.628 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 16.9 m170 -91.15 -56.76 3.03 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.928 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 59.1 mt -90.3 -49.71 6.38 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 113.363 0.875 . . . . 10.0 113.363 -177.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 519' ' ' ALA . . . . . 0.684 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -46.3 -60.11 4.06 Favored Pre-proline 0 N--CA 1.47 0.558 0 N-CA-C 113.715 1.006 . . . . 10.0 113.715 -178.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 520' ' ' PRO . . . . . 0.684 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 31.5 Cg_exo -62.97 -30.72 76.95 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.002 1.802 . . . . 10.0 111.338 179.195 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 521' ' ' TYR . . . . . 0.412 ' HB2' ' O ' ' D' ' 517' ' ' HIS . 9.9 t80 -64.83 -41.27 95.88 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.859 -0.609 . . . . 10.0 110.35 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 522' ' ' SER . . . . . 0.41 ' O ' ' HG3' ' D' ' 526' ' ' ARG . 0.0 OUTLIER -62.11 -37.3 84.58 Favored 'General case' 0 CA--C 1.52 -0.176 0 N-CA-C 109.938 -0.393 . . . . 10.0 109.938 178.753 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 523' ' ' ASP . . . . . 0.733 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 16.0 t70 -67.17 -37.82 84.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.22 0.533 . . . . 10.0 109.815 179.065 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -71.54 -35.17 70.56 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 108.662 -0.866 . . . . 10.0 108.662 178.116 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 525' ' ' LEU . . . . . 0.464 HD23 ' HD2' ' D' ' 528' ' ' ARG . 16.3 mt -64.19 -32.59 74.23 Favored 'General case' 0 C--O 1.22 -0.469 0 N-CA-C 108.784 -0.821 . . . . 10.0 108.784 178.078 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 526' ' ' ARG . . . . . 0.733 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 87.6 mtt180 -64.03 -37.19 86.52 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.274 -0.639 . . . . 10.0 109.274 178.423 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -67.43 -41.12 85.3 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.288 -0.634 . . . . 10.0 109.288 178.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 528' ' ' ARG . . . . . 0.595 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 93.7 mtt180 -67.23 -48.39 67.95 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.362 -0.835 . . . . 10.0 109.488 179.041 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 82.9 mt -62.7 -28.23 69.8 Favored 'General case' 0 C--O 1.222 -0.374 0 CA-C-N 115.835 -0.62 . . . . 10.0 110.592 179.106 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -65.68 -37.78 87.44 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.089 -0.708 . . . . 10.0 109.089 178.388 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -73.32 -39.62 65.13 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.754 -0.832 . . . . 10.0 108.754 178.469 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 7.7 ttm180 -62.37 -45.23 94.13 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.348 -0.842 . . . . 10.0 109.05 178.444 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 533' ' ' LEU . . . . . 0.411 ' O ' ' HG3' ' D' ' 537' ' ' LYS . 31.6 mt -64.15 -42.01 96.94 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.936 -0.574 . . . . 10.0 109.946 178.684 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -60.02 -43.08 95.51 Favored 'General case' 0 CA--C 1.522 -0.108 0 CA-C-N 116.096 -0.502 . . . . 10.0 109.975 179.224 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -65.13 -37.32 87.05 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 109.336 -0.616 . . . . 10.0 109.336 178.586 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 76.3 mt -71.97 -22.57 61.42 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.936 -0.574 . . . . 10.0 110.397 178.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 537' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' D' ' 533' ' ' LEU . 96.5 mttt -83.72 -37.89 22.11 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.757 -0.831 . . . . 10.0 108.757 178.372 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 22.3 tp10 -68.54 -57.81 5.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.368 -0.833 . . . . 10.0 109.518 178.7 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -67.67 -34.16 76.36 Favored 'General case' 0 CA--C 1.514 -0.425 0 N-CA-C 109.188 -0.671 . . . . 10.0 109.188 179.147 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -63.54 -48.82 74.44 Favored Glycine 0 N--CA 1.451 -0.351 0 CA-C-N 115.772 -0.649 . . . . 10.0 111.644 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -64.13 -42.97 97.84 Favored Glycine 0 N--CA 1.445 -0.708 0 N-CA-C 111.072 -0.811 . . . . 10.0 111.072 179.035 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -61.97 -49.88 74.34 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 110.04 -0.356 . . . . 10.0 110.04 178.629 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 60.7 mtt180 -60.81 -30.01 69.81 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-N 116.189 -0.459 . . . . 10.0 110.827 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 14.7 mt -64.32 -46.0 85.42 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.39 -0.596 . . . . 10.0 109.39 178.574 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -66.08 -44.24 85.02 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 109.351 -0.611 . . . . 10.0 109.351 179.461 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 546' ' ' GLU . . . . . 0.437 ' O ' ' HB2' ' D' ' 550' ' ' LYS . 67.7 mt-10 -59.86 -45.01 93.78 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-N 115.533 -0.758 . . . . 10.0 109.922 178.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -66.16 -40.7 90.71 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.923 179.322 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -62.02 -42.24 98.94 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 109.683 -0.488 . . . . 10.0 109.683 178.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -69.31 -47.36 64.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.616 -0.72 . . . . 10.0 109.288 178.609 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 550' ' ' LYS . . . . . 0.634 ' HD3' HG22 ' A' ' 224' ' ' VAL . 0.0 OUTLIER -59.58 -37.28 78.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.879 -0.6 . . . . 10.0 110.965 179.812 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -65.02 -42.29 94.55 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 116.117 -0.492 . . . . 10.0 109.866 179.09 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 5.8 m -69.56 -41.66 75.58 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.121 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 78.2 mt-10 -61.33 -47.4 86.07 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 108.928 -0.768 . . . . 10.0 108.928 178.022 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 554' ' ' HIS . . . . . 0.408 ' O ' ' HG ' ' D' ' 558' ' ' LEU . 32.4 t60 -62.87 -44.01 97.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.41 -0.814 . . . . 10.0 109.936 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 23.7 tp -61.21 -36.95 81.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.108 0.48 . . . . 10.0 109.723 179.261 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 44.0 m -65.8 -47.98 73.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.777 -0.647 . . . . 10.0 109.785 179.074 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 1.5 p -66.73 -31.21 71.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.79 0.329 . . . . 10.0 110.341 178.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 558' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' D' ' 554' ' ' HIS . 38.2 mt -66.49 -56.71 9.6 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.075 178.805 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 5.4 p -65.24 -31.19 72.23 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 116.512 -0.313 . . . . 10.0 111.556 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -62.72 -32.86 74.05 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.154 -0.475 . . . . 10.0 109.722 178.561 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 561' ' ' LYS . . . . . 0.522 ' HA ' ' HE3' ' D' ' 561' ' ' LYS . 0.0 OUTLIER -93.84 -36.59 12.17 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.342 179.829 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -55.03 -47.75 74.33 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.665 0.617 . . . . 10.0 112.665 -178.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 563' ' ' LYS . . . . . 0.523 ' O ' ' HG2' ' D' ' 567' ' ' GLU . 98.4 mttt -54.97 -63.74 2.67 Favored Pre-proline 0 CA--C 1.531 0.222 0 N-CA-C 112.383 0.512 . . . . 10.0 112.383 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 564' ' ' PRO . . . . . 0.439 ' O ' ' HB2' ' D' ' 568' ' ' ASP . 20.2 Cg_endo -62.49 -29.07 78.28 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 122.114 1.876 . . . . 10.0 112.465 179.674 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -70.91 -53.51 14.79 Favored 'General case' 0 C--O 1.222 -0.381 0 C-N-CA 121.127 -0.229 . . . . 10.0 110.799 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 62.8 mt -59.67 -43.26 94.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.756 -0.202 . . . . 10.0 110.964 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 567' ' ' GLU . . . . . 0.523 ' HG2' ' O ' ' D' ' 563' ' ' LYS . 62.0 mm-40 -62.45 -51.55 67.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.379 -0.373 . . . . 10.0 110.493 179.421 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 568' ' ' ASP . . . . . 0.439 ' HB2' ' O ' ' D' ' 564' ' ' PRO . 0.4 OUTLIER -65.32 -36.61 84.57 Favored 'General case' 0 CA--C 1.521 -0.14 0 CA-C-O 120.788 0.328 . . . . 10.0 111.492 -179.763 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 23.0 mt -62.02 -46.26 89.99 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.752 -0.462 . . . . 10.0 109.752 178.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 570' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' D' ' 570' ' ' ARG . 25.8 mtt85 -68.77 -43.63 75.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.352 -0.386 . . . . 10.0 110.237 179.208 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -64.12 -19.26 65.14 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.301 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -96.84 -33.12 6.2 Favored Glycine 0 N--CA 1.443 -0.834 0 N-CA-C 110.662 -0.975 . . . . 10.0 110.662 178.156 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 573' ' ' LEU . . . . . 0.582 ' HA ' HG12 ' D' ' 576' ' ' VAL . 11.1 mt -73.8 -41.12 62.82 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 122.344 0.258 . . . . 10.0 111.627 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 574' ' ' LEU . . . . . 0.464 ' HB2' ' HD3' ' D' ' 575' ' ' PRO . 96.1 mt -50.32 -60.18 5.77 Favored Pre-proline 0 CA--C 1.537 0.459 0 N-CA-C 112.455 0.539 . . . . 10.0 112.455 -179.735 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 575' ' ' PRO . . . . . 0.464 ' HD3' ' HB2' ' D' ' 574' ' ' LEU . 44.0 Cg_endo -70.45 -30.03 19.67 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 121.851 1.701 . . . . 10.0 112.342 179.751 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 576' ' ' VAL . . . . . 0.582 HG12 ' HA ' ' D' ' 573' ' ' LEU . 0.4 OUTLIER -70.04 -32.93 53.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 120.558 -0.457 . . . . 10.0 110.74 179.663 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 577' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' D' ' 573' ' ' LEU . 51.1 mt -65.43 -38.73 90.76 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 108.93 -0.767 . . . . 10.0 108.93 178.555 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 578' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' D' ' 574' ' ' LEU . 7.7 mm-40 -63.45 -42.97 98.66 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.948 -0.76 . . . . 10.0 108.948 178.609 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 51.1 m -64.76 -40.46 95.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.705 -0.679 . . . . 10.0 110.087 178.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -63.98 -40.69 96.95 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.101 -0.5 . . . . 10.0 109.818 178.69 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 581' ' ' LYS . . . . . 0.431 ' HG3' ' O ' ' D' ' 577' ' ' LEU . 95.7 mttt -56.95 -47.86 79.7 Favored 'General case' 0 C--O 1.225 -0.197 0 CA-C-N 115.866 -0.607 . . . . 10.0 109.89 179.128 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 60.5 t -59.34 -43.48 90.19 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.715 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 1.4 p -71.96 -27.48 62.81 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.088 0.47 . . . . 10.0 111.223 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 584' ' ' PHE . . . . . 0.433 ' O ' ' HG ' ' D' ' 588' ' ' LEU . 9.1 m-85 -79.58 -44.71 20.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.766 179.095 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 88.6 mt -60.51 -46.86 88.57 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.794 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 8.2 p -62.05 -34.81 76.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.232 0.539 . . . . 10.0 110.158 179.389 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 587' ' ' ALA . . . . . 0.621 ' HA ' ' HE2' ' A' ' 396' ' ' LYS . . . -68.61 -47.64 66.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.735 -0.666 . . . . 10.0 109.736 179.055 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 588' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' D' ' 584' ' ' PHE . 71.5 mt -57.76 -48.41 79.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 10.0 111.009 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -57.84 -50.11 74.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.832 -0.622 . . . . 10.0 111.422 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -68.64 -41.89 78.76 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.809 0.67 . . . . 10.0 112.809 -179.195 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -59.82 -40.07 87.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.778 0.323 . . . . 10.0 110.975 179.406 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 19.0 m -68.64 -29.58 68.1 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.096 0.474 . . . . 10.0 110.452 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -75.35 -36.93 60.9 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.087 0.47 . . . . 10.0 110.601 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 594' ' ' LYS . . . . . 0.54 ' HE2' ' HB3' ' A' ' 388' ' ' SER . 11.1 mptt -74.1 -32.11 63.08 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.836 -0.62 . . . . 10.0 111.176 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 95.8 mt -105.08 26.04 9.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.099 -0.501 . . . . 10.0 111.673 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 . . . . . 0 C--N 1.323 -0.577 0 CA-C-N 116.511 -0.313 . . . . 10.0 111.041 -179.954 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--O 1.233 0.202 0 CA-C-O 120.926 0.393 . . . . 10.0 110.512 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 2' ' ' THR . . . . . 0.448 ' HB ' ' CE2' ' B' ' 4' ' ' TYR . 0.0 OUTLIER -116.99 134.11 55.16 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.903 -0.59 . . . . 10.0 109.958 179.223 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -95.01 139.83 30.82 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.418 -0.355 . . . . 10.0 110.993 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 4' ' ' TYR . . . . . 0.448 ' CE2' ' HB ' ' B' ' 2' ' ' THR . 90.0 m-85 -133.94 113.99 12.79 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.288 -0.415 . . . . 10.0 110.74 179.439 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.777 ' HA ' ' HB3' ' B' ' 54' ' ' ASP . 45.8 mttm -79.72 115.46 19.34 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.648 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.517 ' O ' ' HA ' ' B' ' 55' ' ' ILE . 18.8 mt -112.75 111.79 22.82 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.796 -179.01 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 45.6 t -100.41 123.56 53.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 110.056 -0.35 . . . . 10.0 110.056 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.534 HG12 ' HD2' ' B' ' 16' ' ' LYS . 2.9 t -88.62 115.39 28.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.123 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 28.0 m -113.84 146.52 18.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.974 0.416 . . . . 10.0 111.316 -179.057 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.31 -163.05 34.23 Favored Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 110.818 -0.913 . . . . 10.0 110.818 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -94.74 -177.0 4.05 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.003 0.43 . . . . 10.0 110.984 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -97.29 136.78 37.28 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.022 0.439 . . . . 10.0 110.369 179.356 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 95.94 6.86 59.0 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.72 -0.752 . . . . 10.0 111.772 -179.241 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.433 ' CG2' ' HG3' ' B' ' 16' ' ' LYS . 33.9 m -89.97 -27.66 5.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.673 0.273 . . . . 10.0 111.654 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 110.06 22.8 6.38 Favored Glycine 0 CA--C 1.518 0.257 0 C-N-CA 120.321 -0.943 . . . . 10.0 114.383 179.101 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' LYS . . . . . 0.534 ' HD2' HG12 ' B' ' 8' ' ' VAL . 5.8 mtmt -59.44 -33.43 71.26 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.084 0.469 . . . . 10.0 111.908 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 17.4 m -79.97 -43.39 22.14 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.613 -0.514 . . . . 10.0 109.613 179.376 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.69 -46.7 83.97 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 115.834 -0.621 . . . . 10.0 111.124 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 69.1 mt -57.97 -45.45 86.69 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.102 0.477 . . . . 10.0 110.569 178.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 32.5 m -65.72 -44.22 86.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.439 -0.8 . . . . 10.0 111.578 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 87.7 mt -64.69 -39.35 85.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.333 -0.394 . . . . 10.0 110.607 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' GLN . . . . . 0.554 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 11.6 mm-40 -62.4 -27.47 69.11 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.925 -0.58 . . . . 10.0 111.295 179.612 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.418 HD22 ' CD2' ' B' ' 156' ' ' PHE . 14.2 tp -86.6 -17.6 33.51 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.9 0.381 . . . . 10.0 110.831 179.678 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 36.1 mm -97.44 -67.53 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 112.139 0.422 . . . . 10.0 112.139 -179.315 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -90.2 -11.13 41.95 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.892 0.331 . . . . 10.0 111.892 -178.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' ASN . . . . . 0.554 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 4.6 m-80 60.18 46.25 10.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.766 -0.652 . . . . 10.0 112.656 179.642 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -147.06 148.02 31.22 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 116.161 -0.472 . . . . 10.0 109.858 178.286 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -90.31 138.18 31.74 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.098 0.475 . . . . 10.0 111.687 -179.237 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 2.7 m -106.44 107.22 22.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.581 -0.736 . . . . 10.0 110.041 179.384 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -75.29 -25.42 57.91 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.141 -0.482 . . . . 10.0 110.534 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -79.07 130.07 35.12 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.177 -0.675 . . . . 10.0 109.177 179.094 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -90.27 115.73 27.71 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.355 0.598 . . . . 10.0 110.942 -179.596 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' ASP . . . . . 0.452 ' HA ' ' HD3' ' B' ' 34' ' ' PRO . 23.5 t70 -110.71 128.57 25.12 Favored Pre-proline 0 C--N 1.319 -0.736 0 CA-C-N 115.633 -0.712 . . . . 10.0 110.468 179.128 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 34' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' B' ' 33' ' ' ASP . 22.0 Cg_exo -66.55 85.14 0.29 Allowed 'Trans proline' 0 C--O 1.233 0.251 0 C-N-CA 122.677 2.251 . . . . 10.0 111.94 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.61 109.43 7.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.778 -0.646 . . . . 10.0 110.342 179.468 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.7 ' HA ' ' HB2' ' B' ' 59' ' ' ALA . 47.4 mm -85.44 -50.38 14.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.855 0.359 . . . . 10.0 110.532 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -160.79 106.22 1.42 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.004 -0.543 . . . . 10.0 110.53 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -144.6 134.08 23.28 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.285 -0.416 . . . . 10.0 109.911 179.706 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 6.1 p -116.26 162.94 16.73 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.379 -0.373 . . . . 10.0 111.168 -179.367 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -140.52 148.64 41.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.347 -179.676 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -117.79 133.13 56.25 Favored 'General case' 0 C--O 1.236 0.376 0 O-C-N 123.32 0.388 . . . . 10.0 110.243 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' LYS . . . . . 0.441 ' HE3' ' CG1' ' B' ' 44' ' ' VAL . 46.4 tttp -150.2 142.21 23.94 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 110.132 -0.322 . . . . 10.0 110.132 -179.03 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -117.86 120.88 39.24 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.834 -0.432 . . . . 10.0 109.834 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' VAL . . . . . 0.441 ' CG1' ' HE3' ' B' ' 42' ' ' LYS . 3.6 m -134.5 159.14 42.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.99 0.424 . . . . 10.0 112.094 -179.214 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 9.7 t -97.32 89.63 2.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 109.285 -0.635 . . . . 10.0 109.285 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 49.9 mt -89.19 119.58 36.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.597 -178.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' ASP . . . . . 0.704 ' HB3' ' HB2' ' C' ' 132' ' ' ASP . 9.3 m-20 68.66 -71.73 0.11 Allowed 'General case' 0 N--CA 1.468 0.471 0 O-C-N 123.84 0.712 . . . . 10.0 110.712 -179.65 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -164.16 15.42 0.1 Allowed Glycine 0 N--CA 1.449 -0.488 0 N-CA-C 110.569 -1.012 . . . . 10.0 110.569 178.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -128.98 134.61 48.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.806 0.336 . . . . 10.0 110.907 -179.384 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 18.1 m -81.08 108.91 15.15 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.995 -0.743 . . . . 10.0 108.995 178.118 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' CYS . . . . . 0.415 ' HB3' ' CD2' ' B' ' 4' ' ' TYR . 6.1 m -107.64 140.06 41.23 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.018 -0.537 . . . . 10.0 112.056 -178.499 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 36.3 tp -97.46 115.71 28.3 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.529 -0.915 . . . . 10.0 108.529 178.361 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 29.6 mt -82.7 120.36 25.49 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.912 -0.585 . . . . 10.0 112.257 -178.257 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' ASP . . . . . 0.777 ' HB3' ' HA ' ' B' ' 5' ' ' LYS . 16.2 t70 -108.97 63.88 0.61 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.727 -1.212 . . . . 10.0 107.727 178.17 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 55' ' ' ILE . . . . . 0.517 ' HA ' ' O ' ' B' ' 6' ' ' LEU . 42.3 mt -78.7 140.71 16.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 114.7 -1.136 . . . . 10.0 112.535 -177.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 11.3 tp -144.78 123.29 12.43 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.532 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -103.24 129.53 50.21 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.849 -0.426 . . . . 10.0 109.849 179.181 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 58' ' ' THR . . . . . 0.59 HG21 ' CE1' ' B' ' 71' ' ' TYR . 0.0 OUTLIER -109.76 162.07 14.81 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.615 -0.266 . . . . 10.0 110.601 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 59' ' ' ALA . . . . . 0.7 ' HB2' ' HA ' ' B' ' 36' ' ' ILE . . . -71.49 121.95 19.57 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.376 0.607 . . . . 10.0 112.043 -179.112 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -93.46 35.92 3.94 Favored Glycine 0 N--CA 1.449 -0.483 0 N-CA-C 110.781 -0.927 . . . . 10.0 110.781 178.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -96.68 11.06 36.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.555 -0.323 . . . . 10.0 111.182 -179.174 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 65.75 -172.49 0.19 Allowed 'General case' 0 N--CA 1.464 0.273 0 O-C-N 123.693 0.62 . . . . 10.0 112.19 -179.373 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 66.19 28.81 10.0 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.711 0.767 . . . . 10.0 110.184 -178.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 64' ' ' TYR . . . . . 0.483 ' HB3' ' HB3' ' B' ' 67' ' ' MET . 38.3 m-85 -130.72 37.75 3.78 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.337 -0.847 . . . . 10.0 110.13 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.71 -44.49 90.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.84 -0.618 . . . . 10.0 111.029 179.68 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.07 -38.27 61.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.106 0.479 . . . . 10.0 110.691 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 67' ' ' MET . . . . . 0.483 ' HB3' ' HB3' ' B' ' 64' ' ' TYR . 43.0 tpp -66.22 -33.84 76.67 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.67 179.592 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 68' ' ' ARG . . . . . 0.443 ' HA ' ' CZ ' ' B' ' 71' ' ' TYR . 1.5 tpp180 -57.1 -47.83 80.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.73 -0.668 . . . . 10.0 110.836 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.84 -21.06 65.66 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.666 -0.697 . . . . 10.0 112.383 -179.029 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -75.65 -67.25 0.69 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.925 0.713 . . . . 10.0 112.925 -178.523 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 71' ' ' TYR . . . . . 0.59 ' CE1' HG21 ' B' ' 58' ' ' THR . 18.7 p90 -67.62 -23.95 65.42 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 113.878 1.066 . . . . 10.0 113.878 -178.024 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 72' ' ' MET . . . . . 0.415 ' HG2' ' CE1' ' B' ' 78' ' ' PHE . 43.8 mtt -70.04 -25.49 63.59 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 111.79 0.293 . . . . 10.0 111.79 -179.552 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -71.2 -44.78 64.74 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.057 0.456 . . . . 10.0 110.939 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 4.1 m -79.02 -23.85 44.05 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.941 -0.572 . . . . 10.0 112.38 -179.111 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -63.26 133.57 42.5 Favored Glycine 0 CA--C 1.521 0.407 0 C-N-CA 121.326 -0.464 . . . . 10.0 113.619 -179.377 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -91.1 -54.18 4.05 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.869 -0.419 . . . . 10.0 109.869 179.421 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -118.18 142.74 17.25 Favored Glycine 0 N--CA 1.446 -0.684 0 N-CA-C 110.923 -0.871 . . . . 10.0 110.923 179.256 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 78' ' ' PHE . . . . . 0.592 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 95.4 m-85 -116.74 124.42 49.6 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.415 0.626 . . . . 10.0 112.052 -178.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.463 HD12 ' HB ' ' B' ' 112' ' ' VAL . 13.1 tp -97.85 110.37 22.95 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.617 -0.72 . . . . 10.0 109.74 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 80' ' ' CYS . . . . . 0.436 ' HB3' HD12 ' B' ' 93' ' ' ILE . 21.5 m -86.61 99.29 11.61 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.845 -0.428 . . . . 10.0 109.845 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 94.5 t -105.55 122.66 59.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 112.215 0.45 . . . . 10.0 112.215 -179.119 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 43.1 p90 -129.71 165.24 22.25 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.038 -0.727 . . . . 10.0 109.038 178.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.43 ' HB1' ' OD1' ' B' ' 85' ' ' ASN . . . -103.97 135.0 46.31 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 110.318 -0.253 . . . . 10.0 110.318 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 84' ' ' ILE . . . . . 0.591 HD13 ' HA ' ' B' ' 118' ' ' CYS . 16.3 pt -68.27 -14.05 17.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.886 0.374 . . . . 10.0 111.305 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 85' ' ' ASN . . . . . 0.43 ' OD1' ' HB1' ' B' ' 83' ' ' ALA . 22.3 p-10 -105.64 14.12 28.88 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.261 179.332 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -135.58 97.2 3.61 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.287 0.565 . . . . 10.0 110.784 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.36 -32.68 73.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.943 -0.571 . . . . 10.0 111.863 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 20.2 tptp -62.74 -44.91 94.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.338 -0.392 . . . . 10.0 110.73 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 89' ' ' SER . . . . . 0.473 ' O ' HG12 ' B' ' 93' ' ' ILE . 90.2 p -64.35 -35.02 79.52 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.838 0.352 . . . . 10.0 111.792 -179.36 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -63.2 -46.1 88.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.805 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -74.05 -33.67 63.79 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.034 -0.53 . . . . 10.0 111.136 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.91 -27.92 67.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.951 -0.568 . . . . 10.0 111.436 -179.45 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 93' ' ' ILE . . . . . 0.473 HG12 ' O ' ' B' ' 89' ' ' SER . 34.7 mm -59.43 -39.36 78.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.054 179.729 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -62.3 -41.61 98.66 Favored 'General case' 0 C--O 1.232 0.179 0 N-CA-C 109.964 -0.384 . . . . 10.0 109.964 179.63 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 70.8 m-70 -63.47 -40.14 96.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.872 -0.604 . . . . 10.0 110.195 179.156 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -65.26 -41.03 94.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.87 -0.604 . . . . 10.0 109.794 178.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -57.66 -46.89 83.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.729 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -66.09 -35.4 80.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.758 -0.656 . . . . 10.0 110.633 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 99' ' ' GLN . . . . . 0.441 ' O ' HG23 ' B' ' 103' ' ' VAL . 2.0 tp60 -64.72 -51.9 59.96 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.55 179.372 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 68.3 mt -55.82 -45.35 79.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-N 116.028 -0.533 . . . . 10.0 111.076 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 14.6 mtmt -60.92 -34.08 74.14 Favored 'General case' 0 CA--C 1.522 -0.113 0 CA-C-N 116.11 -0.496 . . . . 10.0 111.943 -179.485 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -78.77 -42.05 28.97 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.461 -0.336 . . . . 10.0 111.128 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 103' ' ' VAL . . . . . 0.441 HG23 ' O ' ' B' ' 99' ' ' GLN . 97.1 t -63.57 -51.99 63.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.504 -0.316 . . . . 10.0 111.538 -179.533 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -81.91 -23.06 36.45 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.437 0.532 . . . . 10.0 112.437 -178.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 25.0 t70 63.15 79.64 0.25 Allowed 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 116.066 -0.515 . . . . 10.0 110.654 -179.06 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 33.3 t -170.96 150.01 3.05 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.748 -0.66 . . . . 10.0 109.59 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -90.68 -23.96 20.59 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.592 0.711 . . . . 10.0 109.223 178.646 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.86 113.43 26.91 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.434 -0.803 . . . . 10.0 109.842 179.36 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 109' ' ' VAL . . . . . 0.405 ' HA ' ' HD3' ' B' ' 110' ' ' PRO . 88.0 t -133.24 127.27 19.85 Favored Pre-proline 0 C--N 1.325 -0.461 0 N-CA-C 109.331 -0.618 . . . . 10.0 109.331 -179.492 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 110' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 20.5 Cg_exo -66.72 101.93 0.59 Allowed 'Trans proline' 0 C--O 1.236 0.406 0 C-N-CA 122.796 2.331 . . . . 10.0 111.613 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 111' ' ' MET . . . . . 0.592 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 43.6 mtm -132.49 155.43 48.59 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.811 -0.632 . . . . 10.0 111.095 -179.634 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 112' ' ' VAL . . . . . 0.463 ' HB ' HD12 ' B' ' 79' ' ' LEU . 77.5 t -136.39 128.68 45.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 108.839 -0.8 . . . . 10.0 108.839 179.203 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 15.2 tp -87.41 113.65 23.3 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.513 -0.551 . . . . 10.0 109.513 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 89.4 t -119.88 122.13 67.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-O 121.076 0.465 . . . . 10.0 111.82 -178.569 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -99.66 124.91 8.39 Favored Glycine 0 N--CA 1.442 -0.954 0 N-CA-C 109.552 -1.419 . . . . 10.0 109.552 178.176 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -105.85 164.18 12.14 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 117.071 0.435 . . . . 10.0 111.196 -179.299 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 117' ' ' LYS . . . . . 0.443 ' HB3' HD12 ' B' ' 120' ' ' LEU . 45.7 mttm 69.52 30.8 3.92 Favored 'General case' 0 N--CA 1.461 0.111 0 O-C-N 123.853 0.721 . . . . 10.0 111.762 179.364 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 118' ' ' CYS . . . . . 0.591 ' HA ' HD13 ' B' ' 84' ' ' ILE . 88.4 m -66.53 -19.92 65.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.326 -0.397 . . . . 10.0 111.663 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.03 -13.94 60.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.3 -0.409 . . . . 10.0 111.437 179.618 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 120' ' ' LEU . . . . . 0.443 HD12 ' HB3' ' B' ' 117' ' ' LYS . 63.0 mt -76.93 139.93 66.36 Favored Pre-proline 0 N--CA 1.454 -0.26 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.685 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_endo -80.24 164.11 22.04 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 122.666 2.244 . . . . 10.0 112.204 179.604 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 1.4 m 59.54 57.36 3.31 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.786 -0.643 . . . . 10.0 111.253 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 123' ' ' ARG . . . . . 0.54 ' HB3' HD12 ' B' ' 84' ' ' ILE . 6.7 ptp180 -62.64 131.57 49.43 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.894 -0.594 . . . . 10.0 111.73 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 1.8 m -82.66 -40.99 19.95 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.596 -0.729 . . . . 10.0 109.503 179.303 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 62.7 t -93.92 129.44 44.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.064 -0.516 . . . . 10.0 109.726 179.026 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 126' ' ' ASP . . . . . 0.445 ' O ' ' HG2' ' B' ' 129' ' ' GLN . 8.1 t70 -88.07 142.71 27.56 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.183 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 127' ' ' THR . . . . . 0.638 HG23 ' HE2' ' B' ' 141' ' ' PHE . 9.9 m -62.4 -39.31 92.83 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.279 -0.418 . . . . 10.0 111.499 -179.276 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -61.72 -44.66 96.49 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.18 0.437 . . . . 10.0 112.18 -178.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 129' ' ' GLN . . . . . 0.445 ' HG2' ' O ' ' B' ' 126' ' ' ASP . 5.3 pt20 -67.48 -29.75 69.27 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.586 -0.446 . . . . 10.0 111.091 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -74.72 -35.42 62.68 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.553 -0.536 . . . . 10.0 109.553 178.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -65.2 -42.05 93.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.453 179.097 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -62.55 -41.87 99.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.095 -0.502 . . . . 10.0 109.81 178.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 14.8 tp -64.32 -44.48 91.43 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.861 -0.609 . . . . 10.0 109.564 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.13 -38.85 92.79 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.303 178.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 8.0 ttm180 -64.11 -35.05 79.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.859 -0.609 . . . . 10.0 110.195 179.188 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 15.7 m -69.08 -36.63 77.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.719 -0.673 . . . . 10.0 110.717 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -79.09 -42.44 26.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.018 0.437 . . . . 10.0 110.26 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 107.67 -1.53 34.21 Favored Glycine 0 N--CA 1.449 -0.449 0 N-CA-C 110.702 -0.959 . . . . 10.0 110.702 -178.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 42.7 pt -90.28 160.16 40.39 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 115.341 -0.429 . . . . 10.0 111.293 -179.214 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -82.39 152.16 15.64 Favored 'Trans proline' 0 N--CA 1.46 -0.494 0 C-N-CA 123.028 2.485 . . . . 10.0 111.904 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 141' ' ' PHE . . . . . 0.638 ' HE2' HG23 ' B' ' 127' ' ' THR . 45.5 t80 -119.76 128.57 53.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.369 179.752 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 31.5 mt -129.47 132.17 66.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.466 -0.334 . . . . 10.0 111.363 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -96.88 124.66 40.92 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.051 -0.722 . . . . 10.0 109.051 178.662 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 27.0 p -142.81 176.01 9.38 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.617 0.599 . . . . 10.0 112.617 -178.246 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -149.19 119.79 7.47 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-N 114.911 -1.04 . . . . 10.0 108.888 178.433 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -65.74 -38.59 89.54 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.951 0.405 . . . . 10.0 110.55 -179.365 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 147' ' ' LYS . . . . . 0.468 ' HB3' ' HE2' ' B' ' 147' ' ' LYS . 17.9 ttpt -62.95 -31.52 72.63 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.619 -0.718 . . . . 10.0 112.001 -179.563 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.87 -14.1 30.24 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 112.938 0.718 . . . . 10.0 112.938 -178.553 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 149' ' ' ARG . . . . . 0.747 HH21 ' HB ' ' B' ' 152' ' ' VAL . 3.1 tpm_? 59.15 39.0 23.49 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 121.64 0.733 . . . . 10.0 110.335 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -124.69 131.01 53.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.899 -0.591 . . . . 10.0 111.616 -179.29 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 77.88 -16.37 6.98 Favored Glycine 0 C--N 1.333 0.373 0 CA-C-N 115.894 -0.593 . . . . 10.0 114.117 178.425 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 152' ' ' VAL . . . . . 0.747 ' HB ' HH21 ' B' ' 149' ' ' ARG . 45.2 t -60.93 -40.25 84.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 120.807 0.337 . . . . 10.0 111.769 -178.693 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -62.67 -39.57 94.35 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.596 -0.52 . . . . 10.0 109.596 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -70.1 -36.4 74.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.31 -0.859 . . . . 10.0 111.961 -178.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -56.57 -49.45 74.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.522 -0.308 . . . . 10.0 111.105 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 156' ' ' PHE . . . . . 0.418 ' CD2' HD22 ' B' ' 23' ' ' LEU . 72.1 m-85 -68.4 -38.8 81.62 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 116.123 -0.49 . . . . 10.0 110.344 179.532 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -58.34 -42.15 86.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.918 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 23.7 m -64.73 -41.61 95.82 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.725 -0.67 . . . . 10.0 111.62 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 159' ' ' LEU . . . . . 0.417 ' O ' HG13 ' B' ' 163' ' ' ILE . 36.0 tp -60.1 -42.56 94.93 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.928 0.394 . . . . 10.0 110.961 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 96.7 t -65.39 -40.47 88.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.209 0.528 . . . . 10.0 110.483 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 11.3 ttp180 -65.56 -33.61 76.32 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.653 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -65.84 -35.81 81.71 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.496 179.315 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 163' ' ' ILE . . . . . 0.417 HG13 ' O ' ' B' ' 159' ' ' LEU . 58.0 mt -65.94 -35.52 75.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.086 0.469 . . . . 10.0 110.058 178.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 14.7 mtt85 -67.75 -32.97 73.93 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.326 -0.62 . . . . 10.0 109.326 178.637 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 18.2 ttmt . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 108.787 -0.82 . . . . 10.0 108.787 178.355 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 CA--C 1.529 0.172 0 CA-C-O 120.732 0.301 . . . . 10.0 110.892 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 2' ' ' THR . . . . . 0.484 ' HB ' ' CE2' ' C' ' 4' ' ' TYR . 0.0 OUTLIER -76.63 126.74 31.51 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 116.577 -0.283 . . . . 10.0 110.296 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -90.09 135.13 33.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.773 0.32 . . . . 10.0 111.013 -179.202 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 4' ' ' TYR . . . . . 0.484 ' CE2' ' HB ' ' C' ' 2' ' ' THR . 99.1 m-85 -131.43 114.74 15.32 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.132 -0.485 . . . . 10.0 109.826 179.398 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 58.5 mttm -85.39 112.23 20.65 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.907 0.384 . . . . 10.0 110.915 -179.354 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 6' ' ' LEU . . . . . 0.477 ' O ' ' HA ' ' C' ' 55' ' ' ILE . 13.7 mt -116.6 129.87 56.41 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.979 -178.826 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 39.3 t -120.33 130.0 74.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.346 -0.388 . . . . 10.0 110.456 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.685 HG12 ' HD2' ' C' ' 16' ' ' LYS . 3.1 t -95.98 119.69 44.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 109.33 -0.619 . . . . 10.0 109.33 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 29.6 m -120.19 149.72 22.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.9 0.381 . . . . 10.0 111.136 -179.53 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 153.79 161.47 10.42 Favored Glycine 0 N--CA 1.448 -0.539 0 CA-C-N 115.703 -0.68 . . . . 10.0 111.759 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.52 155.16 22.73 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.015 0.436 . . . . 10.0 111.002 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.17 144.08 40.74 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.905 0.383 . . . . 10.0 110.803 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 97.88 -22.82 38.83 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.458 -0.877 . . . . 10.0 112.835 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 14' ' ' VAL . . . . . 0.455 HG11 ' HB3' ' C' ' 89' ' ' SER . 3.4 m -76.95 -17.43 14.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.78 0.29 . . . . 10.0 111.75 -179.284 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 15' ' ' GLY . . . . . 0.439 ' O ' ' HG2' ' C' ' 16' ' ' LYS . . . 98.64 118.97 4.05 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.416 -0.897 . . . . 10.0 112.378 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 16' ' ' LYS . . . . . 0.685 ' HD2' HG12 ' C' ' 8' ' ' VAL . 17.7 mtmm -151.81 -49.47 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.232 0.539 . . . . 10.0 109.832 -179.437 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.08 -43.97 77.35 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 115.71 -0.677 . . . . 10.0 110.034 179.616 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.44 -41.76 85.81 Favored 'General case' 0 CA--C 1.528 0.103 0 CA-C-N 116.222 -0.445 . . . . 10.0 110.793 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 78.6 mt -57.6 -46.65 83.8 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 121.28 0.562 . . . . 10.0 110.34 178.694 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 5.3 m -70.36 -43.51 70.03 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.458 -0.792 . . . . 10.0 111.024 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 92.5 mt -62.04 -31.72 52.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.276 -0.42 . . . . 10.0 111.056 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 22' ' ' GLN . . . . . 0.573 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 4.1 mm-40 -63.87 -17.49 63.22 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.165 0.431 . . . . 10.0 112.165 179.563 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 23' ' ' LEU . . . . . 0.779 ' HG ' ' HE2' ' C' ' 42' ' ' LYS . 17.6 tp -104.97 -30.06 10.05 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.22 -0.445 . . . . 10.0 110.216 179.044 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 24' ' ' ILE . . . . . 0.403 HD13 ' HD2' ' C' ' 42' ' ' LYS . 41.6 mm -80.29 -66.02 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.068 -0.515 . . . . 10.0 110.914 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 25' ' ' GLN . . . . . 0.42 ' HB2' ' HD2' ' C' ' 27' ' ' HIS . 75.9 mt-30 -91.34 -10.65 40.51 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.198 -0.455 . . . . 10.0 110.495 -179.558 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 26' ' ' ASN . . . . . 0.573 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 56.2 m-80 60.05 51.56 5.72 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.099 -0.955 . . . . 10.0 113.415 178.223 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 27' ' ' HIS . . . . . 0.42 ' HD2' ' HB2' ' C' ' 25' ' ' GLN . 3.2 p80 -156.25 155.18 31.91 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.755 -0.202 . . . . 10.0 111.345 178.768 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -94.39 119.43 33.12 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.976 0.417 . . . . 10.0 111.871 -179.178 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 44.2 t -92.71 99.69 10.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.596 -0.729 . . . . 10.0 109.47 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -77.19 -28.19 53.88 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.061 -0.518 . . . . 10.0 111.794 -179.364 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -76.41 106.62 8.14 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.352 -0.385 . . . . 10.0 110.422 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -58.85 119.43 7.17 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.101 0.477 . . . . 10.0 111.629 -179.455 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -131.81 111.54 14.73 Favored Pre-proline 0 C--N 1.32 -0.696 0 CA-C-N 115.824 -0.625 . . . . 10.0 109.944 178.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -48.51 137.71 25.32 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 123.352 2.701 . . . . 10.0 112.699 -179.362 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.64 95.15 3.42 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.718 -0.673 . . . . 10.0 110.326 -179.659 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 36' ' ' ILE . . . . . 0.702 ' HA ' ' HB2' ' C' ' 59' ' ' ALA . 4.5 tt -75.68 -37.63 36.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.898 -0.592 . . . . 10.0 111.501 -179.521 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -155.4 114.42 3.57 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.253 -0.43 . . . . 10.0 110.31 -179.19 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -158.73 125.37 4.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.501 -0.318 . . . . 10.0 110.241 179.54 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 1.3 p -119.83 137.33 54.05 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.014 0.435 . . . . 10.0 111.407 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -118.32 143.87 46.28 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.0 -0.546 . . . . 10.0 109.852 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -117.81 132.31 56.46 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.459 -0.337 . . . . 10.0 110.336 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 42' ' ' LYS . . . . . 0.779 ' HE2' ' HG ' ' C' ' 23' ' ' LEU . 59.0 tttp -146.7 135.87 22.62 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.758 -179.378 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 43' ' ' GLN . . . . . 0.465 ' HG2' HG22 ' C' ' 50' ' ' THR . 11.6 tt0 -108.89 118.39 36.66 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.28 -0.637 . . . . 10.0 109.28 179.44 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 15.1 m -133.98 162.68 38.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.915 0.388 . . . . 10.0 111.777 -179.053 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 84.8 t -93.61 112.35 26.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.246 -0.434 . . . . 10.0 110.119 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 46' ' ' ILE . . . . . 0.438 HG23 ' HD2' ' C' ' 157' ' ' TYR . 71.9 mt -124.99 124.1 66.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 109.708 -0.478 . . . . 10.0 109.708 179.616 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 63.68 25.74 14.33 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 123.581 0.551 . . . . 10.0 111.453 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 79.28 22.38 65.33 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.886 -0.673 . . . . 10.0 112.142 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -136.81 130.33 31.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.472 0.177 . . . . 10.0 110.642 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 50' ' ' THR . . . . . 0.465 HG22 ' HG2' ' C' ' 43' ' ' GLN . 0.4 OUTLIER -70.27 117.23 11.57 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.406 -0.59 . . . . 10.0 109.406 178.749 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 4.4 m -113.43 135.66 53.64 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.503 -0.317 . . . . 10.0 111.555 -178.484 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 63.3 tp -98.37 104.13 16.14 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 107.513 -1.291 . . . . 10.0 107.513 178.113 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 53' ' ' LEU . . . . . 0.402 HD22 HD11 ' C' ' 6' ' ' LEU . 52.3 mt -91.3 126.8 36.49 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 113.023 0.749 . . . . 10.0 113.023 -177.743 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -107.91 93.93 4.8 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 107.021 -1.474 . . . . 10.0 107.021 177.578 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 55' ' ' ILE . . . . . 0.477 ' HA ' ' O ' ' C' ' 6' ' ' LEU . 1.8 mp -100.47 129.65 50.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.315 -0.402 . . . . 10.0 111.796 -177.552 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 8.9 tp -122.44 128.16 50.55 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.82 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 57' ' ' ASP . . . . . 0.412 ' OD1' ' HE2' ' C' ' 16' ' ' LYS . 18.3 t0 -96.73 132.73 42.12 Favored 'General case' 0 CA--C 1.519 -0.227 0 N-CA-C 108.761 -0.829 . . . . 10.0 108.761 178.139 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 30.4 p -111.09 154.44 24.25 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.905 0.383 . . . . 10.0 110.518 -179.438 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 59' ' ' ALA . . . . . 0.702 ' HB2' ' HA ' ' C' ' 36' ' ' ILE . . . -78.6 130.5 35.99 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.104 0.478 . . . . 10.0 110.637 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -92.0 27.04 10.72 Favored Glycine 0 N--CA 1.447 -0.603 0 N-CA-C 111.138 -0.785 . . . . 10.0 111.138 179.278 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -77.02 -7.96 56.58 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 122.426 0.29 . . . . 10.0 111.043 -179.495 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 62' ' ' GLU . . . . . 0.452 ' CD ' HH12 ' C' ' 68' ' ' ARG . 16.6 mm-40 67.98 -170.17 0.19 Allowed 'General case' 0 C--O 1.234 0.265 0 O-C-N 123.782 0.676 . . . . 10.0 110.677 -178.304 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 63.16 39.82 9.47 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-O 121.374 0.607 . . . . 10.0 110.348 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 64' ' ' TYR . . . . . 0.444 ' HB3' ' HB3' ' C' ' 67' ' ' MET . 37.7 m-85 -128.79 45.05 2.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.371 -0.831 . . . . 10.0 108.838 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -52.69 -39.01 61.54 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.889 -1.051 . . . . 10.0 113.075 -178.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -97.69 -35.34 10.6 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.211 0.448 . . . . 10.0 112.211 -179.413 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 67' ' ' MET . . . . . 0.444 ' HB3' ' HB3' ' C' ' 64' ' ' TYR . 23.3 ttt -60.74 -34.07 73.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.402 -0.363 . . . . 10.0 111.341 -179.278 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 68' ' ' ARG . . . . . 0.549 ' HG2' ' HE3' ' C' ' 72' ' ' MET . 3.1 tpp180 -59.91 -45.85 91.24 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.886 0.374 . . . . 10.0 111.439 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -56.55 -35.38 68.07 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.565 -0.743 . . . . 10.0 112.192 -179.097 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -59.09 -57.1 14.55 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 112.471 0.545 . . . . 10.0 112.471 -179.189 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 71' ' ' TYR . . . . . 0.529 ' CZ ' ' HA ' ' C' ' 68' ' ' ARG . 14.5 p90 -78.34 -27.98 47.14 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 113.231 0.826 . . . . 10.0 113.231 -178.845 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 72' ' ' MET . . . . . 0.549 ' HE3' ' HG2' ' C' ' 68' ' ' ARG . 47.7 mtt -65.8 -27.65 68.42 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.41 0.624 . . . . 10.0 111.022 179.326 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 73' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' C' ' 73' ' ' ARG . 6.4 ttm180 -81.58 -16.84 50.36 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.709 -0.678 . . . . 10.0 110.646 179.45 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 13.5 m -98.11 -48.53 5.08 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.475 0.546 . . . . 10.0 112.475 -179.162 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -62.17 149.9 47.13 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 121.233 -0.508 . . . . 10.0 113.954 -179.038 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -102.86 -55.23 2.47 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.818 -0.438 . . . . 10.0 109.818 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -106.17 123.05 7.3 Favored Glycine 0 N--CA 1.443 -0.874 0 N-CA-C 111.109 -0.796 . . . . 10.0 111.109 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 78' ' ' PHE . . . . . 0.471 ' HB2' ' HG2' ' C' ' 111' ' ' MET . 93.0 m-85 -107.16 130.71 54.67 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.135 0.493 . . . . 10.0 111.291 -179.147 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 79' ' ' LEU . . . . . 0.48 HD12 ' HB ' ' C' ' 112' ' ' VAL . 7.2 tp -99.69 113.49 25.99 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.256 179.698 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 80' ' ' CYS . . . . . 0.584 ' HB3' HD12 ' C' ' 93' ' ' ILE . 3.7 m -88.73 103.89 16.38 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.076 -0.511 . . . . 10.0 109.661 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 18.8 t -106.3 137.4 36.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.292 0.567 . . . . 10.0 111.751 -178.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -143.55 160.57 40.38 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.528 -0.76 . . . . 10.0 108.95 178.532 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 83' ' ' ALA . . . . . 0.519 ' HB3' ' HB3' ' C' ' 86' ' ' ASN . . . -96.31 134.17 39.77 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.889 -0.325 . . . . 10.0 110.129 179.607 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 84' ' ' ILE . . . . . 0.62 HD13 ' HA ' ' C' ' 118' ' ' CYS . 18.8 pt -60.86 -22.05 25.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 112.267 0.469 . . . . 10.0 112.267 -179.434 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -108.47 23.83 13.94 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.254 0.55 . . . . 10.0 110.716 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 86' ' ' ASN . . . . . 0.519 ' HB3' ' HB3' ' C' ' 83' ' ' ALA . 40.9 t-20 -139.76 96.29 3.05 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.78 -0.645 . . . . 10.0 110.012 179.442 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 4.8 m -64.96 -32.45 74.18 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.844 -0.616 . . . . 10.0 111.446 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 88' ' ' LYS . . . . . 0.443 ' HB3' ' OD1' ' C' ' 86' ' ' ASN . 19.9 tptp -56.49 -48.38 77.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.259 -0.428 . . . . 10.0 110.721 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 89' ' ' SER . . . . . 0.455 ' HB3' HG11 ' C' ' 14' ' ' VAL . 56.9 p -64.25 -31.52 72.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.869 -0.605 . . . . 10.0 111.53 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -68.68 -42.75 77.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.999 0.428 . . . . 10.0 110.251 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -65.94 -36.36 83.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.769 -0.65 . . . . 10.0 110.392 179.165 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.19 -25.92 68.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.481 -0.781 . . . . 10.0 112.079 -179.592 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 93' ' ' ILE . . . . . 0.584 HD12 ' HB3' ' C' ' 80' ' ' CYS . 40.8 mm -55.19 -42.75 67.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 O-C-N 123.257 0.348 . . . . 10.0 110.702 179.64 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -60.58 -49.84 75.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.217 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -60.22 -46.98 87.9 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.878 -0.601 . . . . 10.0 111.5 -179.204 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -60.89 -43.07 99.01 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.614 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 97' ' ' ARG . . . . . 0.518 ' NH1' ' HE2' ' C' ' 101' ' ' LYS . 15.1 ttt-85 -61.43 -47.41 85.87 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.249 -0.432 . . . . 10.0 111.05 -179.602 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 98' ' ' GLU . . . . . 0.515 ' HA ' ' HE3' ' C' ' 101' ' ' LYS . 26.9 mm-40 -64.0 -38.18 90.15 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.197 -0.456 . . . . 10.0 111.646 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -66.39 -43.28 86.27 Favored 'General case' 0 C--N 1.331 -0.198 0 O-C-N 123.151 0.282 . . . . 10.0 110.765 179.358 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 84.6 mt -56.44 -46.14 82.02 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 CA-C-O 121.065 0.46 . . . . 10.0 109.883 179.258 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 101' ' ' LYS . . . . . 0.518 ' HE2' ' NH1' ' C' ' 97' ' ' ARG . 5.0 mtmp? -66.26 -28.36 68.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.626 -0.715 . . . . 10.0 111.713 -179.56 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? -76.74 -40.05 49.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.17 0.51 . . . . 10.0 109.997 179.196 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 72.1 t -67.05 -47.57 81.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.067 -0.515 . . . . 10.0 111.038 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -80.31 -13.05 59.5 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.286 -0.416 . . . . 10.0 111.551 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 31.2 t0 58.58 45.56 16.01 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.763 -0.653 . . . . 10.0 111.123 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 7.4 t -148.9 154.52 39.56 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.815 -0.63 . . . . 10.0 110.085 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -98.03 -15.34 20.09 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.117 0.484 . . . . 10.0 110.431 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -106.9 96.41 6.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.758 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 109' ' ' VAL . . . . . 0.419 ' HA ' ' HD3' ' C' ' 110' ' ' PRO . 46.9 t -129.77 128.47 22.98 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 115.847 -0.615 . . . . 10.0 109.655 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 110' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' C' ' 109' ' ' VAL . 24.1 Cg_exo -64.97 112.4 2.01 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.741 2.294 . . . . 10.0 111.478 179.079 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 111' ' ' MET . . . . . 0.471 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 44.5 mtm -138.79 152.79 48.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.397 -179.645 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 112' ' ' VAL . . . . . 0.48 ' HB ' HD12 ' C' ' 79' ' ' LEU . 88.5 t -133.21 130.75 57.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.032 -0.531 . . . . 10.0 109.84 179.381 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 30.0 tp -90.0 122.47 33.04 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.586 -0.524 . . . . 10.0 109.586 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 93.0 t -125.75 129.97 72.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.041 0.448 . . . . 10.0 111.703 -178.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -102.83 107.72 3.15 Favored Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 110.228 -1.149 . . . . 10.0 110.228 178.574 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -87.42 162.19 17.44 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-O 120.841 0.353 . . . . 10.0 111.631 -178.665 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 86.0 mttt 64.4 34.81 10.11 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.42 -0.809 . . . . 10.0 111.726 179.391 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 118' ' ' CYS . . . . . 0.62 ' HA ' HD13 ' C' ' 84' ' ' ILE . 1.6 m -67.63 -8.9 38.45 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.277 -0.419 . . . . 10.0 112.074 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -91.32 5.06 50.72 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.499 -0.318 . . . . 10.0 110.819 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 33.2 mt -91.09 145.44 31.65 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 116.344 -0.389 . . . . 10.0 110.697 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -84.62 164.27 12.32 Favored 'Trans proline' 0 N--CA 1.46 -0.445 0 C-N-CA 122.617 2.212 . . . . 10.0 111.548 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 18.4 m 57.93 56.5 4.67 Favored 'General case' 0 C--O 1.233 0.199 0 O-C-N 123.828 0.705 . . . . 10.0 111.836 179.697 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 123' ' ' ARG . . . . . 0.607 ' HB3' HD12 ' C' ' 84' ' ' ILE . 5.7 ptp180 -68.73 141.1 55.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.821 -0.627 . . . . 10.0 110.822 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -93.27 -39.31 11.05 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.972 -179.513 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 46.7 t -94.73 129.43 44.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.929 0.395 . . . . 10.0 110.386 179.346 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -84.51 150.51 25.21 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.186 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 127' ' ' THR . . . . . 0.614 HG23 ' HE2' ' C' ' 141' ' ' PHE . 7.0 m -67.82 -35.21 78.21 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.602 -0.272 . . . . 10.0 111.024 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 128' ' ' LYS . . . . . 0.638 ' HB3' ' HA ' ' B' ' 47' ' ' ASP . 0.0 OUTLIER -58.99 -50.66 73.24 Favored 'General case' 0 C--O 1.227 -0.094 0 CA-C-N 116.352 -0.386 . . . . 10.0 111.494 -179.574 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -63.68 -35.85 81.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.732 0.301 . . . . 10.0 111.498 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.7 -39.4 84.38 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.052 0.453 . . . . 10.0 109.861 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -72.05 -44.03 63.99 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.924 -0.58 . . . . 10.0 111.115 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 132' ' ' ASP . . . . . 0.704 ' HB2' ' HB3' ' B' ' 47' ' ' ASP . 37.5 t70 -60.27 -39.71 87.78 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.655 179.647 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 26.8 tp -67.99 -44.3 76.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 10.0 109.96 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.79 -32.74 74.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.673 -0.694 . . . . 10.0 110.192 179.544 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -58.0 -48.58 79.61 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.552 -0.749 . . . . 10.0 110.633 179.379 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 13.1 m -73.29 -22.89 60.25 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.941 -0.572 . . . . 10.0 111.318 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 7.4 m-30 -80.14 -27.03 39.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.238 0.542 . . . . 10.0 109.827 179.124 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 85.03 19.29 59.5 Favored Glycine 0 C--N 1.32 -0.347 0 N-CA-C 111.275 -0.73 . . . . 10.0 111.275 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 39.2 pt -117.21 157.93 45.77 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 115.845 -0.178 . . . . 10.0 110.594 -179.34 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -85.7 159.62 10.61 Favored 'Trans proline' 0 N--CA 1.462 -0.344 0 C-N-CA 122.532 2.155 . . . . 10.0 112.411 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 141' ' ' PHE . . . . . 0.614 ' HE2' HG23 ' C' ' 127' ' ' THR . 47.7 t80 -125.25 132.14 53.0 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.148 -0.478 . . . . 10.0 109.769 179.387 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 19.6 mt -128.72 139.29 52.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.444 -0.343 . . . . 10.0 110.703 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -98.39 128.23 44.69 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.727 -0.842 . . . . 10.0 108.727 178.241 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 41.9 p -133.41 -177.28 4.46 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.717 0.77 . . . . 10.0 112.887 -178.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 5.6 t -167.94 116.31 0.75 Allowed 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 107.208 -1.404 . . . . 10.0 107.208 179.267 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.18 -22.41 61.29 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.497 -0.557 . . . . 10.0 109.497 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -65.65 -43.65 88.78 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.389 -0.823 . . . . 10.0 111.29 179.492 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 12.6 p -100.83 -17.48 16.86 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.508 -0.315 . . . . 10.0 111.761 -179.257 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 149' ' ' ARG . . . . . 0.4 ' O ' ' HG3' ' C' ' 149' ' ' ARG . 0.5 OUTLIER 67.43 9.85 7.32 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-O 121.895 0.855 . . . . 10.0 110.751 -178.406 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -71.6 105.96 3.85 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.743 -1.117 . . . . 10.0 112.001 -178.628 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 86.79 4.22 82.68 Favored Glycine 0 CA--C 1.517 0.205 0 C-N-CA 120.933 -0.651 . . . . 10.0 114.188 178.473 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 72.2 t -62.32 -43.22 97.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 117.207 0.503 . . . . 10.0 111.432 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.66 -29.14 68.35 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.321 -0.4 . . . . 10.0 111.717 -179.354 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -58.34 -34.78 71.02 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.825 0.345 . . . . 10.0 110.925 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.75 -39.3 91.11 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.115 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -69.7 -45.52 68.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.275 179.561 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 157' ' ' TYR . . . . . 0.438 ' HD2' HG23 ' C' ' 46' ' ' ILE . 55.2 m-85 -58.29 -49.33 77.51 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.327 179.713 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 158' ' ' THR . . . . . 0.446 ' O ' ' HG2' ' C' ' 162' ' ' GLU . 43.4 m -66.52 -40.21 89.06 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.38 -0.827 . . . . 10.0 112.188 -179.495 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 16.8 tp -59.68 -42.93 94.02 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.976 0.417 . . . . 10.0 110.751 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 92.1 t -68.05 -36.43 75.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.043 178.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 28.2 ttp-105 -62.13 -37.47 85.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.715 -0.675 . . . . 10.0 110.822 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 162' ' ' GLU . . . . . 0.727 ' HA ' ' HE2' ' C' ' 165' ' ' LYS . 69.3 mm-40 -64.34 -45.14 89.15 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.189 -0.459 . . . . 10.0 110.311 179.207 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 65.6 mt -63.28 -39.87 86.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.126 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 46.1 mtt85 -60.8 -47.7 85.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.326 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 165' ' ' LYS . . . . . 0.727 ' HE2' ' HA ' ' C' ' 162' ' ' GLU . 44.2 mtmt -60.58 -38.02 83.24 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 120.971 0.415 . . . . 10.0 110.514 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -65.04 -23.67 67.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.365 -0.834 . . . . 10.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 96.2 mttt . . . . . 0 C--N 1.325 -0.496 0 CA-C-N 116.184 -0.462 . . . . 10.0 111.321 -179.858 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 5.3 tmtm? . . . . . 0 CA--C 1.527 0.093 0 CA-C-O 120.912 0.387 . . . . 10.0 111.111 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 43.4 mt -67.64 -36.77 81.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.517 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 33.4 mt -68.51 -44.85 73.75 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.997 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 205' ' ' ASP . . . . . 0.404 ' O ' ' HB3' ' A' ' 208' ' ' ASP . 11.7 t70 -70.69 -44.19 67.47 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.342 -0.39 . . . . 10.0 111.763 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.4 -34.38 76.61 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.761 0.315 . . . . 10.0 110.38 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 67.9 t90 -65.49 -35.61 81.4 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 109.352 -0.61 . . . . 10.0 109.352 178.367 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 208' ' ' ASP . . . . . 0.404 ' HB3' ' O ' ' A' ' 205' ' ' ASP . 16.9 t70 -61.33 -45.26 95.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.644 -0.707 . . . . 10.0 110.323 179.266 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.56 -45.79 92.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.115 0.484 . . . . 10.0 110.151 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 94.5 t -59.99 -44.5 94.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.546 -0.752 . . . . 10.0 110.283 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 26.2 m -63.1 -39.97 96.26 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.869 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 15.7 m -63.18 -42.0 99.3 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 109.866 -0.42 . . . . 10.0 109.866 178.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 213' ' ' THR . . . . . 0.843 ' HA ' ' HE2' ' D' ' 561' ' ' LYS . 20.9 m -61.49 -51.81 67.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.05 -0.523 . . . . 10.0 109.687 178.621 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 214' ' ' PHE . . . . . 0.521 ' HA ' HD12 ' A' ' 217' ' ' LEU . 6.8 m-85 -56.74 -40.42 75.73 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.085 -0.507 . . . . 10.0 111.427 179.556 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 215' ' ' SER . . . . . 0.491 ' O ' ' HG3' ' A' ' 219' ' ' GLU . 27.6 m -61.83 -50.09 73.66 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.356 -0.384 . . . . 10.0 110.617 179.496 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 19.3 mttt -62.97 -34.91 78.51 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-N 116.422 -0.354 . . . . 10.0 110.217 179.084 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 217' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' ' 213' ' ' THR . 96.4 mt -64.12 -44.05 93.4 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-N 115.905 -0.588 . . . . 10.0 109.795 178.586 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 218' ' ' ARG . . . . . 0.424 ' HA ' HD12 ' A' ' 221' ' ' LEU . 6.1 mtp85 -64.94 -37.53 87.95 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.4 -0.364 . . . . 10.0 110.931 179.074 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 219' ' ' GLU . . . . . 0.491 ' HG3' ' O ' ' A' ' 215' ' ' SER . 46.1 mt-10 -64.13 -35.78 81.87 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.286 178.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -81.53 -32.68 32.18 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 116.066 -0.515 . . . . 10.0 109.972 178.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 221' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' A' ' 218' ' ' ARG . 18.4 mt -56.23 -33.87 65.79 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.074 -0.512 . . . . 10.0 111.267 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -55.72 -70.2 1.04 Allowed Glycine 0 C--N 1.334 0.42 0 C-N-CA 120.642 -0.79 . . . . 10.0 111.283 178.548 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -53.06 -39.36 80.03 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.801 2.334 . . . . 10.0 111.347 178.348 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 31.8 t -58.74 -52.77 56.09 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 O-C-N 123.134 0.272 . . . . 10.0 111.444 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 225' ' ' THR . . . . . 0.434 ' O ' ' HB2' ' A' ' 229' ' ' TRP . 7.6 p -64.47 -34.79 79.02 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.826 -0.35 . . . . 10.0 110.79 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -66.31 -43.87 85.02 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.77 -0.456 . . . . 10.0 109.77 178.627 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -65.83 -45.07 83.62 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.802 -0.635 . . . . 10.0 109.874 178.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -60.85 -46.01 92.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.546 178.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 229' ' ' TRP . . . . . 0.434 ' HB2' ' O ' ' A' ' 225' ' ' THR . 0.2 OUTLIER -64.36 -35.67 81.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.38 179.412 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -63.31 -47.46 82.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.962 -0.563 . . . . 10.0 109.75 179.237 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -70.84 -40.63 72.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.486 . . . . 10.0 111.253 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 232' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 232' ' ' LEU . 20.6 mt -62.73 -38.5 90.75 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.506 179.447 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 233' ' ' GLU . . . . . 0.559 ' HA ' ' OG1' ' A' ' 236' ' ' THR . 4.0 mm-40 -67.25 -28.86 68.39 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.432 179.632 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 74.3 mttt -70.37 -36.79 74.35 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.172 -1.047 . . . . 10.0 108.172 177.418 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.75 -48.18 64.4 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.472 -0.786 . . . . 10.0 109.838 178.777 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 236' ' ' THR . . . . . 0.559 ' OG1' ' HA ' ' A' ' 233' ' ' GLU . 0.9 OUTLIER -63.4 -35.68 81.2 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.401 -0.592 . . . . 10.0 109.401 178.812 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -59.24 -47.85 83.81 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 108.771 -0.826 . . . . 10.0 108.771 178.354 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -64.12 -40.48 98.13 Favored Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 110.677 -0.969 . . . . 10.0 110.677 178.523 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 58.6 mt -63.83 -33.9 76.73 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.604 0.24 . . . . 10.0 110.549 179.143 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 55.7 mtt180 -69.76 -39.93 76.4 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.797 -0.446 . . . . 10.0 109.797 179.019 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -69.45 -42.26 75.17 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.944 -0.761 . . . . 10.0 108.944 178.382 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -66.49 -22.12 66.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.185 -0.916 . . . . 10.0 110.937 179.025 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 243' ' ' MET . . . . . 0.819 ' HG3' HD12 ' A' ' 247' ' ' LEU . 46.3 ttm -64.65 -29.48 70.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.38 0.61 . . . . 10.0 109.483 178.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 1.8 m -80.11 7.76 8.56 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.362 -0.836 . . . . 10.0 110.522 179.149 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 245' ' ' LYS . . . . . 0.434 ' O ' ' HB2' ' A' ' 249' ' ' GLU . 40.3 mttm -127.69 -61.75 1.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.239 -1.023 . . . . 10.0 108.239 178.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 246' ' ' ASP . . . . . 0.654 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 10.5 t70 -54.46 -59.42 4.71 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.914 -1.039 . . . . 10.0 112.003 -179.381 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 247' ' ' LEU . . . . . 0.819 HD12 ' HG3' ' A' ' 243' ' ' MET . 58.9 mt -79.56 -35.93 39.05 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.92 -179.263 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -63.01 -48.24 79.64 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 121.107 -0.237 . . . . 10.0 111.246 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 249' ' ' GLU . . . . . 0.434 ' HB2' ' O ' ' A' ' 245' ' ' LYS . 3.8 mt-10 -69.75 -33.7 72.8 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 111.639 0.237 . . . . 10.0 111.639 179.623 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 250' ' ' VAL . . . . . 0.63 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 0.9 OUTLIER -65.1 -28.12 43.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 C-N-CA 120.684 -0.407 . . . . 10.0 110.101 179.226 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 251' ' ' LYS . . . . . 0.546 ' O ' HG12 ' A' ' 254' ' ' VAL . 91.9 mttt -82.93 -42.2 17.94 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-O 121.357 0.599 . . . . 10.0 109.871 178.599 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -65.33 -32.18 73.7 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.924 -0.58 . . . . 10.0 109.738 179.047 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 70.4 mttt -90.24 -19.71 23.84 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.874 -0.603 . . . . 10.0 111.218 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 254' ' ' VAL . . . . . 0.63 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.5 OUTLIER -61.51 -31.08 49.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-O 120.728 0.299 . . . . 10.0 110.627 -179.882 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 255' ' ' GLN . . . . . 0.542 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 37.5 mt-30 -63.97 -62.32 5.43 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.124 179.674 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 256' ' ' PRO . . . . . 0.542 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 36.6 Cg_endo -67.46 -34.09 27.36 Favored 'Trans proline' 0 C--N 1.356 0.924 0 C-N-CA 121.968 1.779 . . . . 10.0 112.477 178.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 5.4 m-30 -63.25 -53.3 55.09 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.03 0.443 . . . . 10.0 110.522 179.578 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 258' ' ' LEU . . . . . 0.452 ' O ' ' HB2' ' A' ' 262' ' ' GLN . 31.2 mt -66.82 -39.29 87.65 Favored 'General case' 0 C--O 1.219 -0.532 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.181 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -57.03 -51.74 68.06 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 123.408 0.443 . . . . 10.0 111.756 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -58.74 -48.19 82.05 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.383 -0.372 . . . . 10.0 111.142 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -68.7 -35.53 77.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.916 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 262' ' ' GLN . . . . . 0.452 ' HB2' ' O ' ' A' ' 258' ' ' LEU . 42.6 tt0 -66.71 -41.76 87.44 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.041 -0.726 . . . . 10.0 109.041 179.513 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 263' ' ' LYS . . . . . 0.443 ' O ' ' HG3' ' A' ' 267' ' ' GLU . 4.3 ttmt -61.65 -50.62 71.81 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.265 -0.88 . . . . 10.0 108.847 178.544 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 264' ' ' LYS . . . . . 0.652 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 75.1 mttt -62.69 -39.8 95.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.411 -0.813 . . . . 10.0 110.874 179.277 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -63.31 -42.57 99.03 Favored 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 110.033 -0.358 . . . . 10.0 110.033 178.794 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -61.51 -45.1 95.63 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 108.818 -0.808 . . . . 10.0 108.818 178.254 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 267' ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' A' ' 263' ' ' LYS . 43.7 mt-10 -60.59 -43.6 97.2 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.806 -0.634 . . . . 10.0 110.002 178.866 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 268' ' ' GLU . . . . . 0.492 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 25.1 mt-10 -61.8 -41.59 97.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.824 -0.625 . . . . 10.0 110.539 179.245 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 79.6 mmm -67.5 -42.65 82.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.831 -0.622 . . . . 10.0 109.887 179.271 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -62.07 -44.66 96.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.997 0.427 . . . . 10.0 109.955 178.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 44.0 mt -63.9 -37.84 88.88 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.741 -0.663 . . . . 10.0 109.981 178.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 272' ' ' TYR . . . . . 0.48 ' HD1' ' HA ' ' A' ' 272' ' ' TYR . 0.4 OUTLIER -67.9 -34.91 77.55 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 115.672 -0.694 . . . . 10.0 109.948 178.952 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 273' ' ' ARG . . . . . 0.644 ' HA ' HG12 ' A' ' 276' ' ' VAL . 72.2 mtt180 -75.65 -44.0 44.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.656 179.138 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -60.99 -25.75 67.09 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 116.002 -0.545 . . . . 10.0 109.95 179.28 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 275' ' ' LYS . . . . . 0.754 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 0.2 OUTLIER -91.22 -46.06 8.29 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.427 178.858 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 276' ' ' VAL . . . . . 0.644 HG12 ' HA ' ' A' ' 273' ' ' ARG . 2.4 p -56.02 -32.85 34.46 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.158 0 N-CA-C 113.039 0.755 . . . . 10.0 113.039 -178.313 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -60.82 -62.31 6.23 Favored Pre-proline 0 CA--C 1.538 0.502 0 N-CA-C 112.018 0.377 . . . . 10.0 112.018 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 278' ' ' PRO . . . . . 0.43 ' O ' ' HG3' ' A' ' 282' ' ' GLU . 37.5 Cg_endo -68.15 -35.92 18.25 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 121.705 1.603 . . . . 10.0 111.789 178.289 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 279' ' ' LEU . . . . . 0.955 HD22 ' HE3' ' D' ' 495' ' ' LYS . 8.4 mt -61.16 -43.93 98.12 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 121.017 -0.273 . . . . 10.0 111.148 -179.667 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 280' ' ' ARG . . . . . 0.413 ' O ' ' HB2' ' A' ' 284' ' ' GLN . 42.0 mtt180 -63.08 -33.91 76.46 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 109.851 -0.426 . . . . 10.0 109.851 179.284 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -69.12 -44.49 72.3 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.151 -0.477 . . . . 10.0 109.797 179.283 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 282' ' ' GLU . . . . . 0.43 ' HG3' ' O ' ' A' ' 278' ' ' PRO . 46.2 mt-10 -64.13 -48.01 77.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.917 -0.583 . . . . 10.0 109.775 178.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 77.8 mt -60.14 -39.37 86.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.757 -0.656 . . . . 10.0 109.855 178.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 284' ' ' GLN . . . . . 0.413 ' HB2' ' O ' ' A' ' 280' ' ' ARG . 38.4 tt0 -64.73 -45.91 84.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.234 179.304 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -62.6 -47.47 83.63 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 109.568 -0.53 . . . . 10.0 109.568 178.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -60.4 -40.57 97.77 Favored Glycine 0 N--CA 1.443 -0.875 0 N-CA-C 111.052 -0.819 . . . . 10.0 111.052 179.199 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -67.07 -44.33 80.37 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.103 -0.332 . . . . 10.0 110.103 179.236 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 89.2 mtt180 -54.04 -53.11 57.54 Favored 'General case' 0 C--N 1.331 -0.199 0 O-C-N 123.462 0.476 . . . . 10.0 110.215 179.042 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 11.0 tm0? -63.06 -47.12 84.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.855 -0.611 . . . . 10.0 111.397 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 47.2 mttp -58.98 -42.99 91.3 Favored 'General case' 0 CA--C 1.522 -0.126 0 CA-C-O 120.884 0.373 . . . . 10.0 110.938 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 90.7 mt -68.08 -39.44 82.92 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.11 -0.496 . . . . 10.0 110.04 178.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 292' ' ' HIS . . . . . 0.507 ' O ' ' HG2' ' A' ' 296' ' ' GLU . 3.5 m170 -61.86 -43.92 97.87 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.026 178.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -60.24 -39.52 87.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.697 -0.683 . . . . 10.0 109.569 178.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 77.2 mt -67.17 -42.29 84.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.885 -0.598 . . . . 10.0 109.515 178.692 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -61.47 -33.18 73.32 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.057 -0.52 . . . . 10.0 110.449 178.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 296' ' ' GLU . . . . . 0.507 ' HG2' ' O ' ' A' ' 292' ' ' HIS . 18.9 mm-40 -63.46 -18.16 63.47 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 115.96 -0.563 . . . . 10.0 110.417 179.283 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 297' ' ' LYS . . . . . 0.62 ' HB3' HD12 ' A' ' 301' ' ' LEU . 28.9 mmtp -109.65 -32.7 7.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.37 179.422 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 66.9 mt -61.8 -28.85 69.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 10.0 111.282 179.614 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 299' ' ' SER . . . . . 0.546 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 7.0 m -79.22 -68.24 0.23 Allowed Pre-proline 0 CA--C 1.538 0.501 0 N-CA-C 112.668 0.618 . . . . 10.0 112.668 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 300' ' ' PRO . . . . . 0.546 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 37.0 Cg_endo -65.53 -52.24 1.12 Allowed 'Trans proline' 0 C--N 1.356 0.928 0 C-N-CA 121.972 1.781 . . . . 10.0 112.778 -179.024 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 301' ' ' LEU . . . . . 0.693 HD13 ' HG2' ' D' ' 473' ' ' LYS . 94.3 mt -66.45 -27.8 68.09 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.839 0.352 . . . . 10.0 110.297 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -67.4 -49.84 48.58 Favored Glycine 0 N--CA 1.445 -0.755 0 N-CA-C 110.226 -1.149 . . . . 10.0 110.226 178.434 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -64.76 -41.3 96.0 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.858 -0.423 . . . . 10.0 109.858 178.665 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -61.55 -41.75 97.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.947 -0.57 . . . . 10.0 110.065 179.072 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 305' ' ' MET . . . . . 0.425 ' SD ' HD13 ' D' ' 469' ' ' LEU . 11.2 tpt -63.26 -39.23 94.01 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.479 -0.564 . . . . 10.0 109.479 179.179 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 58.6 mtt180 -68.06 -40.27 82.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.914 -0.584 . . . . 10.0 110.35 179.171 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 307' ' ' ASP . . . . . 0.519 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 27.0 t70 -68.22 -42.96 79.0 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.208 -0.451 . . . . 10.0 109.863 179.215 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 308' ' ' ARG . . . . . 0.535 ' HG3' HD21 ' D' ' 469' ' ' LEU . 25.6 mmt180 -65.31 -34.93 79.5 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.731 -0.84 . . . . 10.0 108.731 177.719 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 309' ' ' ALA . . . . . 0.406 ' O ' HG23 ' A' ' 313' ' ' VAL . . . -64.52 -38.45 91.04 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 108.943 -0.762 . . . . 10.0 108.943 178.012 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 310' ' ' ARG . . . . . 0.519 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 88.2 mtt180 -57.95 -48.25 80.52 Favored 'General case' 0 C--O 1.223 -0.302 0 N-CA-C 108.725 -0.843 . . . . 10.0 108.725 177.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -63.6 -39.53 94.62 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.619 -0.719 . . . . 10.0 110.314 179.286 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -59.22 -51.78 68.52 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 121.127 0.489 . . . . 10.0 109.703 179.089 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 313' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 309' ' ' ALA . 45.1 t -70.06 -32.86 52.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.505 -0.77 . . . . 10.0 110.775 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -63.77 -48.35 77.3 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.156 0.503 . . . . 10.0 110.014 179.305 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -61.17 -37.63 83.58 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.529 -0.76 . . . . 10.0 109.299 178.631 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 75.7 mt -68.36 -43.74 76.76 Favored 'General case' 0 C--O 1.221 -0.402 0 CA-C-N 115.472 -0.786 . . . . 10.0 109.777 178.509 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 317' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 317' ' ' ARG . 14.9 mtm105 -59.25 -44.01 92.41 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.785 0.326 . . . . 10.0 110.824 179.481 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 3.2 m -66.72 -24.35 66.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.6 -0.727 . . . . 10.0 111.469 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 14.6 m80 -93.2 -46.56 7.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.504 -0.317 . . . . 10.0 111.556 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 96.5 mt -60.71 -31.5 70.79 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.347 0.499 . . . . 10.0 112.347 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 321' ' ' ALA . . . . . 0.408 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -58.2 -63.63 3.73 Favored Pre-proline 0 CA--C 1.536 0.407 0 N-CA-C 111.575 0.213 . . . . 10.0 111.575 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 322' ' ' PRO . . . . . 0.408 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 38.0 Cg_endo -67.87 -27.66 36.92 Favored 'Trans proline' 0 C--N 1.356 0.942 0 C-N-CA 121.495 1.463 . . . . 10.0 111.311 178.812 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -62.59 -48.96 77.16 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.284 179.266 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 324' ' ' SER . . . . . 0.472 ' HA ' ' HB2' ' A' ' 327' ' ' LEU . 10.8 p -69.36 -33.48 73.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.901 0.381 . . . . 10.0 110.005 179.359 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.85 -41.72 98.16 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 108.846 -0.798 . . . . 10.0 108.846 178.703 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -76.13 -33.1 59.42 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.572 -0.74 . . . . 10.0 109.938 178.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 327' ' ' LEU . . . . . 0.472 ' HB2' ' HA ' ' A' ' 324' ' ' SER . 16.3 mt -61.07 -35.26 76.47 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 108.952 -0.758 . . . . 10.0 108.952 178.252 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 328' ' ' ARG . . . . . 0.419 ' HG3' ' O ' ' A' ' 324' ' ' SER . 84.5 mtt180 -60.57 -44.33 96.31 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.861 -0.792 . . . . 10.0 108.861 177.77 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -64.72 -44.3 90.66 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.809 -0.632 . . . . 10.0 109.624 178.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 330' ' ' ARG . . . . . 0.635 HH21 ' HB3' ' D' ' 447' ' ' GLU . 29.6 mtt-85 -57.97 -54.06 51.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.553 -0.749 . . . . 10.0 110.457 179.408 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 30.8 mt -61.49 -43.47 98.81 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-N 115.99 -0.55 . . . . 10.0 111.173 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -60.49 -43.88 96.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.658 0.266 . . . . 10.0 110.57 179.4 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -61.52 -45.85 92.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.024 -0.534 . . . . 10.0 109.714 178.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 334' ' ' ARG . . . . . 0.458 ' HD3' ' CD ' ' D' ' 440' ' ' GLU . 30.4 mmt180 -62.8 -42.98 99.94 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.817 -0.628 . . . . 10.0 109.694 178.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 335' ' ' LEU . . . . . 0.591 ' O ' ' HB2' ' A' ' 339' ' ' LYS . 61.5 mt -64.06 -45.9 86.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.727 -0.67 . . . . 10.0 111.437 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -65.88 -41.98 90.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.424 -0.353 . . . . 10.0 111.417 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -65.52 -47.57 75.52 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.152 0.501 . . . . 10.0 109.655 178.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 49.2 mt -69.78 -14.6 62.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.035 -0.529 . . . . 10.0 111.116 178.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 339' ' ' LYS . . . . . 0.591 ' HB2' ' O ' ' A' ' 335' ' ' LEU . 31.7 tttt -82.69 -48.63 10.67 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.34 -0.615 . . . . 10.0 109.34 178.793 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -67.13 -46.16 74.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.106 0.479 . . . . 10.0 109.86 178.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 20.8 t30 -71.4 -36.46 71.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.995 -0.548 . . . . 10.0 109.851 179.248 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -62.96 -43.76 98.41 Favored Glycine 0 N--CA 1.45 -0.384 0 N-CA-C 111.297 -0.721 . . . . 10.0 111.297 179.263 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 343' ' ' GLY . . . . . 0.442 ' HA2' HD12 ' A' ' 346' ' ' LEU . . . -61.66 -36.77 93.17 Favored Glycine 0 N--CA 1.452 -0.295 0 N-CA-C 111.18 -0.768 . . . . 10.0 111.18 178.81 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -67.59 -44.37 78.29 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.454 -0.572 . . . . 10.0 109.454 178.504 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 65.8 mtm180 -64.6 -37.78 88.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.6 -0.727 . . . . 10.0 110.343 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 346' ' ' LEU . . . . . 0.442 HD12 ' HA2' ' A' ' 343' ' ' GLY . 72.5 mt -59.57 -54.33 47.72 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.469 -0.567 . . . . 10.0 109.469 178.825 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.77 -42.67 93.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.67 -0.695 . . . . 10.0 110.568 179.492 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 348' ' ' GLU . . . . . 0.491 ' O ' ' HG3' ' A' ' 352' ' ' LYS . 2.2 mt-10 -63.41 -47.03 83.66 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.112 -0.495 . . . . 10.0 111.027 179.32 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -61.6 -34.27 75.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.551 -0.295 . . . . 10.0 110.264 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 29.6 m-70 -65.67 -42.83 90.87 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.052 -0.721 . . . . 10.0 109.052 177.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -65.0 -41.87 94.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.383 -0.826 . . . . 10.0 109.657 179.075 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 352' ' ' LYS . . . . . 0.491 ' HG3' ' O ' ' A' ' 348' ' ' GLU . 34.4 mttm -62.84 -43.72 98.05 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.181 -0.674 . . . . 10.0 109.181 178.394 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -61.74 -38.21 87.11 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.709 -0.678 . . . . 10.0 109.394 178.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 29.1 m -61.68 -40.96 96.82 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.513 -0.551 . . . . 10.0 109.513 178.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -67.15 -44.34 80.04 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.132 -0.485 . . . . 10.0 109.876 178.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 27.3 m-70 -62.26 -39.66 93.62 Favored 'General case' 0 C--O 1.226 -0.164 0 CA-C-N 115.687 -0.688 . . . . 10.0 110.949 179.405 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 83.5 mt -68.8 -38.06 79.7 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.287 -0.415 . . . . 10.0 111.041 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 41.4 m -64.22 -45.67 87.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.432 . . . . 10.0 110.367 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 1.2 p -73.53 -28.9 62.13 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.19 179.341 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 56.7 tp -63.65 -30.44 71.55 Favored 'General case' 0 CA--C 1.521 -0.158 0 N-CA-C 109.243 -0.651 . . . . 10.0 109.243 178.289 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 49.0 m -61.99 -32.6 73.08 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.882 -0.599 . . . . 10.0 109.64 178.678 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -67.87 -26.54 66.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.12 0.486 . . . . 10.0 110.313 178.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 363' ' ' LYS . . . . . 0.708 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 80.0 mttt -90.42 -30.85 17.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.131 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 364' ' ' ALA . . . . . 0.599 ' HA ' HD12 ' A' ' 368' ' ' LEU . . . -83.51 -24.49 31.67 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 113.06 0.763 . . . . 10.0 113.06 -178.804 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 365' ' ' LYS . . . . . 0.959 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 85.1 mttt -110.98 -75.14 0.02 OUTLIER Pre-proline 0 CA--C 1.533 0.327 0 N-CA-C 112.841 0.682 . . . . 10.0 112.841 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 366' ' ' PRO . . . . . 0.959 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 31.4 Cg_exo -59.54 -55.31 1.84 Allowed 'Trans proline' 0 C--N 1.357 1.016 0 C-N-CA 122.206 1.938 . . . . 10.0 112.919 -179.163 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 367' ' ' ALA . . . . . 0.708 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -62.44 -45.65 92.12 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.764 0.283 . . . . 10.0 111.764 -179.368 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 368' ' ' LEU . . . . . 0.599 HD12 ' HA ' ' A' ' 364' ' ' ALA . 0.9 OUTLIER -62.64 -44.26 96.72 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.592 -0.276 . . . . 10.0 111.306 -179.738 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -63.66 -41.88 98.15 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.817 -0.438 . . . . 10.0 109.817 179.357 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -61.13 -41.46 96.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.296 -0.865 . . . . 10.0 109.631 179.298 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 371' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 367' ' ' ALA . 85.4 mt -66.41 -42.21 88.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.611 -0.722 . . . . 10.0 110.275 178.571 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 372' ' ' ARG . . . . . 0.494 ' O ' ' HG ' ' A' ' 376' ' ' LEU . 98.8 mtt180 -62.87 -47.55 82.86 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.143 -0.48 . . . . 10.0 110.688 179.474 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -65.09 -21.63 66.84 Favored 'General case' 0 C--O 1.23 0.065 0 CA-C-N 116.043 -0.526 . . . . 10.0 111.139 179.577 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -89.46 -35.62 7.87 Favored Glycine 0 N--CA 1.449 -0.489 0 N-CA-C 111.58 -0.608 . . . . 10.0 111.58 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 36.4 mt -73.23 -29.6 62.89 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.605 0.224 . . . . 10.0 111.605 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 376' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 372' ' ' ARG . 54.4 mt -54.68 -59.91 9.26 Favored Pre-proline 0 CA--C 1.536 0.425 0 N-CA-C 112.429 0.529 . . . . 10.0 112.429 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -61.14 -34.48 89.19 Favored 'Trans proline' 0 C--N 1.356 0.922 0 C-N-CA 121.813 1.675 . . . . 10.0 110.94 178.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 54.6 t -63.11 -44.54 99.53 Favored 'Isoleucine or valine' 0 C--O 1.231 0.126 0 N-CA-C 109.554 -0.536 . . . . 10.0 109.554 178.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 379' ' ' LEU . . . . . 0.441 ' O ' ' HG3' ' A' ' 383' ' ' LYS . 66.2 mt -64.37 -39.29 93.59 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.019 178.478 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -61.91 -43.12 99.49 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.899 -0.591 . . . . 10.0 110.461 178.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 2.3 p -70.92 -33.59 70.69 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.96 -0.385 . . . . 10.0 109.96 178.489 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -65.33 -34.9 79.41 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.027 179.006 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 383' ' ' LYS . . . . . 0.441 ' HG3' ' O ' ' A' ' 379' ' ' LEU . 95.6 mttt -60.27 -39.36 86.53 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 108.938 -0.764 . . . . 10.0 108.938 177.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 72.2 t -63.81 -40.53 89.39 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 N-CA-C 109.04 -0.726 . . . . 10.0 109.04 178.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 1.3 m -64.81 -43.25 93.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.734 -0.667 . . . . 10.0 109.994 179.194 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -66.67 -47.29 72.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.346 -0.388 . . . . 10.0 111.573 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 387' ' ' LEU . . . . . 0.477 ' O ' ' HG3' ' A' ' 391' ' ' GLU . 27.7 mt -58.34 -46.91 85.34 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.37 -0.377 . . . . 10.0 111.309 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 388' ' ' SER . . . . . 0.4 ' O ' ' HG2' ' A' ' 392' ' ' GLU . 12.4 p -67.24 -44.17 80.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.6 -0.273 . . . . 10.0 110.906 179.651 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -57.6 -47.88 80.94 Favored 'General case' 0 CA--C 1.523 -0.081 0 CA-C-N 116.29 -0.413 . . . . 10.0 110.742 179.587 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 84.4 mt -56.02 -45.14 79.22 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.05 0.452 . . . . 10.0 110.153 179.215 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 391' ' ' GLU . . . . . 0.477 ' HG3' ' O ' ' A' ' 387' ' ' LEU . 27.4 mt-10 -63.77 -45.18 90.95 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.414 179.447 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 392' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 388' ' ' SER . 58.2 mm-40 -57.49 -48.19 79.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.922 0.392 . . . . 10.0 110.97 179.507 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -64.49 -39.36 93.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.98 -0.555 . . . . 10.0 111.485 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 11.7 m -70.21 -31.53 69.01 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.85 0.357 . . . . 10.0 111.254 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -77.76 -39.07 45.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.925 0.393 . . . . 10.0 111.956 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 396' ' ' LYS . . . . . 0.746 ' HE2' ' HA ' ' D' ' 587' ' ' ALA . 14.0 mptt -85.09 -33.98 22.31 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 113.459 0.911 . . . . 10.0 113.459 -178.323 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 78.7 mt -94.77 -18.25 21.41 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.413 0.523 . . . . 10.0 112.413 -179.077 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 46.4 t30 . . . . . 0 C--N 1.328 -0.368 0 CA-C-O 120.616 0.245 . . . . 10.0 111.134 -179.82 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' D' D ' 399' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' D' ' 399' ' ' LEU . 3.2 mm? . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 121.244 0.545 . . . . 10.0 110.464 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 400' ' ' LYS . . . . . 0.456 ' HB2' ' HE2' ' D' ' 400' ' ' LYS . 3.6 mppt? -124.67 24.01 7.89 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.54 -0.755 . . . . 10.0 110.596 179.656 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 41.3 mt -74.59 -38.5 62.6 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.516 -0.766 . . . . 10.0 110.69 -179.296 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 36.5 mt -63.89 -38.46 91.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.87 -0.605 . . . . 10.0 110.316 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -69.13 -39.21 79.03 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.479 -0.782 . . . . 10.0 110.54 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 404' ' ' ASN . . . . . 0.481 ' O ' HG23 ' D' ' 408' ' ' VAL . 26.4 t-20 -68.33 -45.76 72.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.685 -0.689 . . . . 10.0 110.431 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -61.58 -30.11 70.46 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.767 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -62.07 -48.88 78.22 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.618 -0.512 . . . . 10.0 109.618 178.643 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 1.2 m -62.53 -37.52 86.39 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.017 178.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 408' ' ' VAL . . . . . 0.481 HG23 ' O ' ' D' ' 404' ' ' ASN . 58.1 t -65.17 -37.42 80.14 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 N-CA-C 109.477 -0.564 . . . . 10.0 109.477 178.753 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 53.7 m -64.53 -38.5 91.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.957 -0.565 . . . . 10.0 109.752 178.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 5.1 m -62.12 -39.57 92.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.041 -0.527 . . . . 10.0 109.724 178.449 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 20.6 m -64.86 -42.42 94.89 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.083 -0.508 . . . . 10.0 109.687 178.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 412' ' ' PHE . . . . . 0.495 ' HD1' HD12 ' D' ' 415' ' ' LEU . 12.4 m-85 -64.48 -37.96 89.34 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.547 -0.538 . . . . 10.0 109.547 178.781 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 413' ' ' SER . . . . . 0.419 ' O ' ' HG3' ' D' ' 417' ' ' GLU . 19.8 m -63.93 -40.25 96.03 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.234 -0.654 . . . . 10.0 109.234 178.49 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 414' ' ' LYS . . . . . 0.524 ' HD3' ' HA ' ' D' ' 414' ' ' LYS . 46.0 mmtt -64.36 -35.98 82.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.998 -0.546 . . . . 10.0 109.945 178.507 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 415' ' ' LEU . . . . . 0.495 HD12 ' HD1' ' D' ' 412' ' ' PHE . 95.6 mt -65.56 -39.27 91.48 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.148 -0.686 . . . . 10.0 109.148 178.622 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 77.2 mtt180 -68.84 -35.47 76.99 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.772 -0.649 . . . . 10.0 110.618 179.322 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 417' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' D' ' 413' ' ' SER . 42.1 mt-10 -70.75 -20.21 62.65 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 121.256 0.55 . . . . 10.0 110.313 178.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -90.15 -49.51 6.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.573 -0.739 . . . . 10.0 109.69 178.606 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 59.6 mt -47.8 -47.37 31.02 Favored 'General case' 0 N--CA 1.461 0.11 0 CA-C-N 115.523 -0.762 . . . . 10.0 112.138 -179.388 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -52.05 -74.7 0.27 Allowed Glycine 0 CA--C 1.52 0.374 0 C-N-CA 121.273 -0.489 . . . . 10.0 112.998 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 421' ' ' PRO . . . . . 0.41 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 50.3 Cg_exo -55.15 -41.7 76.04 Favored 'Trans proline' 0 CA--C 1.531 0.357 0 C-N-CA 122.908 2.405 . . . . 10.0 112.343 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 31.5 t -60.46 -44.19 95.8 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 N-CA-C 112.623 0.601 . . . . 10.0 112.623 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 25.2 p -71.41 -34.46 70.37 Favored 'General case' 0 N--CA 1.462 0.17 0 C-N-CA 120.809 -0.357 . . . . 10.0 111.29 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -59.96 -50.67 72.84 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.67 -0.493 . . . . 10.0 109.67 179.128 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 425' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 12.6 pt-20 -73.06 -25.99 61.12 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.251 178.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 426' ' ' PHE . . . . . 0.575 ' O ' ' HG ' ' D' ' 430' ' ' LEU . 29.6 t80 -65.93 -41.78 90.93 Favored 'General case' 0 C--O 1.222 -0.368 0 N-CA-C 109.107 -0.701 . . . . 10.0 109.107 178.683 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 26.7 m0 -65.34 -37.74 88.0 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.53 -0.545 . . . . 10.0 109.53 178.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -65.6 -42.04 92.1 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.594 -0.891 . . . . 10.0 108.594 177.729 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 429' ' ' ASN . . . . . 0.457 ' HA ' ' HD2' ' D' ' 432' ' ' LYS . 8.3 t30 -65.55 -40.56 92.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.654 -0.703 . . . . 10.0 109.738 178.208 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 430' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' D' ' 426' ' ' PHE . 48.4 mt -57.39 -42.92 83.15 Favored 'General case' 0 CA--C 1.517 -0.318 0 N-CA-C 109.378 -0.601 . . . . 10.0 109.378 178.793 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -65.8 -45.6 81.78 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.983 -0.553 . . . . 10.0 109.807 178.51 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 432' ' ' LYS . . . . . 0.457 ' HD2' ' HA ' ' D' ' 429' ' ' ASN . 36.7 mttt -54.93 -44.86 74.65 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 109.577 -0.527 . . . . 10.0 109.577 178.787 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 433' ' ' GLU . . . . . 0.531 ' O ' ' HG ' ' D' ' 437' ' ' LEU . 63.0 mt-10 -67.57 -56.81 7.98 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.647 -0.706 . . . . 10.0 110.913 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 7.5 p -55.39 -53.35 57.3 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.755 0.65 . . . . 10.0 112.755 -178.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 435' ' ' GLU . . . . . 0.615 ' O ' ' HG3' ' D' ' 439' ' ' GLN . 6.1 mm-40 -60.68 -42.6 97.43 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-O 120.386 0.136 . . . . 10.0 110.793 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -62.26 -49.31 75.71 Favored Glycine 0 C--N 1.333 0.382 0 N-CA-C 110.99 -0.844 . . . . 10.0 110.99 179.315 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 437' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' D' ' 433' ' ' GLU . 84.1 mt -65.03 -32.02 73.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.556 0.217 . . . . 10.0 110.563 179.372 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 438' ' ' ARG . . . . . 0.433 ' HA ' ' HB2' ' D' ' 441' ' ' MET . 69.9 mtt180 -66.86 -32.31 73.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.563 -0.29 . . . . 10.0 110.888 179.451 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 439' ' ' GLN . . . . . 0.615 ' HG3' ' O ' ' D' ' 435' ' ' GLU . 96.2 mt-30 -64.81 -42.36 95.06 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 109.768 -0.456 . . . . 10.0 109.768 179.42 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 440' ' ' GLU . . . . . 0.458 ' CD ' ' HD3' ' A' ' 334' ' ' ARG . 0.9 OUTLIER -80.82 -25.32 37.86 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.451 178.95 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 441' ' ' MET . . . . . 0.433 ' HB2' ' HA ' ' D' ' 438' ' ' ARG . 47.9 mmm -74.59 -41.03 61.2 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.106 -0.497 . . . . 10.0 112.033 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 1.6 p -62.5 -42.91 99.82 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 108.911 -0.774 . . . . 10.0 108.911 178.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -63.42 -41.91 98.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.227 -0.897 . . . . 10.0 109.244 178.268 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -62.09 -50.13 73.16 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-N 115.415 -0.811 . . . . 10.0 110.224 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 97.6 mt -62.19 -46.39 89.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.872 -179.387 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -63.62 -46.84 83.89 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.777 0.322 . . . . 10.0 110.925 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 447' ' ' GLU . . . . . 0.635 ' HB3' HH21 ' A' ' 330' ' ' ARG . 1.1 tt0 -69.46 -25.42 64.07 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 109.813 -0.44 . . . . 10.0 109.813 179.534 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 448' ' ' VAL . . . . . 0.439 HG23 HH22 ' A' ' 330' ' ' ARG . 1.2 t -65.52 -38.07 81.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 109.296 -0.631 . . . . 10.0 109.296 178.679 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 84.3 mttt -65.24 -33.5 76.14 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.905 -0.776 . . . . 10.0 108.905 178.359 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -84.95 1.5 47.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.925 -1.034 . . . . 10.0 110.649 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 451' ' ' LYS . . . . . 0.589 ' O ' ' HB2' ' D' ' 455' ' ' TYR . 35.4 mmtm -111.13 -47.67 3.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.147 179.478 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 72.3 t -57.47 -45.15 85.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.046 -0.525 . . . . 10.0 111.793 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -57.72 -61.23 7.71 Favored Pre-proline 0 CA--C 1.536 0.412 0 N-CA-C 112.973 0.731 . . . . 10.0 112.973 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_endo -63.37 -29.63 72.34 Favored 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 121.56 1.506 . . . . 10.0 111.579 178.612 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 455' ' ' TYR . . . . . 0.589 ' HB2' ' O ' ' D' ' 451' ' ' LYS . 1.8 t80 -67.91 -43.75 78.51 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.097 -0.705 . . . . 10.0 109.097 178.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 17.8 mt -68.74 -40.71 79.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.554 -0.748 . . . . 10.0 109.949 178.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -59.68 -51.43 69.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.471 179.31 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 458' ' ' ASP . . . . . 0.447 ' HA ' ' HD2' ' D' ' 461' ' ' LYS . 34.8 t70 -64.9 -38.64 91.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.965 -0.562 . . . . 10.0 110.828 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 2.2 m-30 -66.72 -45.2 79.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.035 -0.529 . . . . 10.0 110.432 179.025 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -61.91 -35.0 77.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.382 -0.372 . . . . 10.0 110.508 179.198 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 461' ' ' LYS . . . . . 0.447 ' HD2' ' HA ' ' D' ' 458' ' ' ASP . 58.8 mttt -61.94 -49.25 76.88 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 108.827 -0.805 . . . . 10.0 108.827 178.173 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 6.9 mtmm -65.38 -37.2 86.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.483 -0.781 . . . . 10.0 110.64 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 28.4 m0 -64.4 -40.75 96.41 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.362 -0.607 . . . . 10.0 109.362 178.303 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -64.62 -46.42 82.67 Favored 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 109.355 -0.609 . . . . 10.0 109.355 178.257 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 465' ' ' GLU . . . . . 0.529 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 39.2 mt-10 -57.21 -51.86 67.65 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.171 178.797 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.75 -42.88 98.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.574 179.787 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 42.0 ttm -62.65 -41.95 99.34 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.957 0.408 . . . . 10.0 110.384 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -70.11 -32.13 70.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.065 0.46 . . . . 10.0 109.785 178.657 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 469' ' ' LEU . . . . . 0.535 HD21 ' HG3' ' A' ' 308' ' ' ARG . 47.6 mt -66.87 -36.28 81.95 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.143 -0.688 . . . . 10.0 109.143 178.186 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 19.4 m-30 -65.58 -32.24 73.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.312 0.577 . . . . 10.0 109.785 178.496 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 471' ' ' ARG . . . . . 0.798 ' HA ' ' HG3' ' D' ' 475' ' ' GLU . 65.0 mtt180 -74.4 -23.51 58.97 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.586 -0.733 . . . . 10.0 110.707 179.086 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -101.04 -5.84 25.23 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.123 -0.489 . . . . 10.0 111.15 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 473' ' ' LYS . . . . . 0.693 ' HG2' HD13 ' A' ' 301' ' ' LEU . 58.2 mttp -125.92 -74.9 0.59 Allowed 'General case' 0 C--O 1.221 -0.414 0 CA-C-N 116.446 -0.343 . . . . 10.0 111.272 -179.656 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 44.4 t -52.24 -45.14 43.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 112.603 0.594 . . . . 10.0 112.603 -179.15 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 475' ' ' GLU . . . . . 0.798 ' HG3' ' HA ' ' D' ' 471' ' ' ARG . 9.6 mt-10 -59.43 -60.94 8.95 Favored Pre-proline 0 C--N 1.328 -0.365 0 N-CA-C 112.917 0.71 . . . . 10.0 112.917 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -63.5 -34.28 65.39 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 121.832 1.688 . . . . 10.0 111.67 178.651 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 477' ' ' LEU . . . . . 0.565 ' HA ' ' HB2' ' D' ' 480' ' ' GLU . 29.1 mt -67.84 -25.69 65.67 Favored 'General case' 0 CA--C 1.52 -0.21 0 N-CA-C 109.98 -0.378 . . . . 10.0 109.98 178.85 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 478' ' ' ARG . . . . . 0.418 ' O ' ' HB2' ' D' ' 482' ' ' GLN . 12.8 mtt-85 -66.14 -30.16 70.59 Favored 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 108.336 -0.986 . . . . 10.0 108.336 178.076 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 479' ' ' ALA . . . . . 0.4 ' O ' ' HB3' ' D' ' 482' ' ' GLN . . . -81.81 -36.28 28.55 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.458 -0.792 . . . . 10.0 108.866 178.136 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 480' ' ' GLU . . . . . 0.565 ' HB2' ' HA ' ' D' ' 477' ' ' LEU . 0.6 OUTLIER -60.34 -48.57 81.19 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 108.316 -0.994 . . . . 10.0 108.316 177.832 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 94.3 mt -73.26 -22.64 60.34 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.207 -0.906 . . . . 10.0 110.008 178.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 482' ' ' GLN . . . . . 0.418 ' HB2' ' O ' ' D' ' 478' ' ' ARG . 4.6 tp60 -67.27 -56.1 11.21 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 108.828 -0.804 . . . . 10.0 108.828 178.457 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.84 -31.06 71.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.791 -0.641 . . . . 10.0 109.595 178.826 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -67.14 -48.52 58.98 Favored Glycine 0 N--CA 1.449 -0.498 0 N-CA-C 110.363 -1.095 . . . . 10.0 110.363 178.428 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -65.57 -39.05 91.21 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 110.137 -0.319 . . . . 10.0 110.137 178.735 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -59.46 -47.32 85.93 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 109.525 -0.546 . . . . 10.0 109.525 178.516 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 487' ' ' GLN . . . . . 0.515 ' O ' ' HG3' ' D' ' 491' ' ' GLU . 11.0 mm100 -65.36 -43.46 90.76 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-N 115.829 -0.623 . . . . 10.0 109.67 178.499 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -59.34 -46.16 89.37 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 123.347 0.405 . . . . 10.0 110.146 179.099 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 69.2 mt -64.6 -37.55 87.94 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.224 178.731 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -64.21 -46.85 82.06 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.384 -0.969 . . . . 10.0 108.384 178.09 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 491' ' ' GLU . . . . . 0.515 ' HG3' ' O ' ' D' ' 487' ' ' GLN . 43.5 mt-10 -57.55 -44.19 85.03 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 108.497 -0.927 . . . . 10.0 108.497 178.145 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 492' ' ' LEU . . . . . 0.541 ' O ' ' HG ' ' D' ' 496' ' ' LEU . 64.3 mt -63.0 -57.28 11.23 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 115.356 -0.838 . . . . 10.0 111.024 179.565 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -54.36 -40.55 68.22 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.856 0.36 . . . . 10.0 111.778 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -62.91 -17.18 61.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.677 -0.692 . . . . 10.0 111.463 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 495' ' ' LYS . . . . . 0.955 ' HE3' HD22 ' A' ' 279' ' ' LEU . 15.2 mttp -110.59 -30.73 7.5 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.266 -0.424 . . . . 10.0 110.541 179.013 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 496' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' D' ' 492' ' ' LEU . 98.6 mt -63.84 -33.15 75.04 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.199 -0.455 . . . . 10.0 111.421 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 497' ' ' SER . . . . . 0.412 ' HB2' ' CD ' ' D' ' 498' ' ' PRO . 11.8 m -69.77 -61.75 2.84 Favored Pre-proline 0 C--N 1.324 -0.507 0 C-N-CA 120.869 -0.332 . . . . 10.0 111.37 178.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 498' ' ' PRO . . . . . 0.412 ' CD ' ' HB2' ' D' ' 497' ' ' SER . 27.9 Cg_endo -62.16 -46.46 12.7 Favored 'Trans proline' 0 C--N 1.356 0.926 0 C-N-CA 121.845 1.696 . . . . 10.0 111.921 179.36 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 499' ' ' LEU . . . . . 0.512 ' HB2' ' O ' ' D' ' 495' ' ' LYS . 29.8 mt -68.24 -32.05 71.97 Favored 'General case' 0 CA--C 1.517 -0.314 0 C-N-CA 121.016 -0.274 . . . . 10.0 111.073 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -66.33 -46.94 74.73 Favored Glycine 0 N--CA 1.451 -0.351 0 N-CA-C 110.153 -1.179 . . . . 10.0 110.153 178.604 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -62.42 -39.55 93.66 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.206 -0.665 . . . . 10.0 109.206 178.223 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 502' ' ' GLU . . . . . 0.567 ' HG2' ' HE ' ' D' ' 506' ' ' ARG . 32.5 tt0 -67.21 -47.03 72.09 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.285 -0.87 . . . . 10.0 110.342 179.54 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 503' ' ' MET . . . . . 0.629 ' HA ' ' HD2' ' D' ' 506' ' ' ARG . 77.2 mmm -59.69 -40.0 86.42 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.781 179.697 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 61.8 mtt180 -68.94 -37.65 79.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.061 178.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 505' ' ' ASP . . . . . 0.407 ' HA ' ' HD2' ' D' ' 508' ' ' ARG . 0.5 OUTLIER -68.39 -37.14 80.1 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 109.343 -0.614 . . . . 10.0 109.343 178.583 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 506' ' ' ARG . . . . . 0.629 ' HD2' ' HA ' ' D' ' 503' ' ' MET . 45.2 mtt180 -63.47 -45.54 90.31 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 107.425 -1.324 . . . . 10.0 107.425 177.322 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -60.38 -41.11 93.09 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 115.486 -0.779 . . . . 10.0 109.652 179.175 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 508' ' ' ARG . . . . . 0.407 ' HD2' ' HA ' ' D' ' 505' ' ' ASP . 77.8 mtt180 -59.86 -44.98 93.85 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.197 -0.668 . . . . 10.0 109.197 178.466 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 509' ' ' ALA . . . . . 0.652 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -63.85 -35.08 79.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.634 -0.712 . . . . 10.0 110.832 179.451 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -74.67 -50.82 16.24 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.046 -0.524 . . . . 10.0 110.202 179.293 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 511' ' ' VAL . . . . . 0.474 ' O ' ' HG3' ' D' ' 515' ' ' ARG . 77.9 t -61.51 -44.42 98.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.403 -0.362 . . . . 10.0 110.723 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 512' ' ' ASP . . . . . 0.689 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 29.2 t70 -63.75 -34.31 77.59 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 121.115 0.483 . . . . 10.0 110.224 179.738 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -68.65 -49.66 57.32 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.55 -0.907 . . . . 10.0 108.55 177.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 514' ' ' LEU . . . . . 0.604 ' HA ' ' HB2' ' D' ' 517' ' ' HIS . 91.7 mt -58.29 -25.62 62.04 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.77 -0.65 . . . . 10.0 111.212 179.419 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 515' ' ' ARG . . . . . 0.689 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 90.4 mtt180 -62.73 -38.54 90.92 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-O 121.187 0.517 . . . . 10.0 110.034 178.757 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -100.3 -5.14 27.89 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.978 -0.555 . . . . 10.0 110.953 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 517' ' ' HIS . . . . . 0.604 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 20.7 m170 -98.93 -44.81 6.2 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.114 -0.494 . . . . 10.0 112.096 -179.578 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 84.0 mt -95.3 -47.72 6.2 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 113.235 0.828 . . . . 10.0 113.235 -177.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 519' ' ' ALA . . . . . 0.621 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -54.26 -59.02 11.18 Favored Pre-proline 0 CA--C 1.535 0.399 0 N-CA-C 113.676 0.991 . . . . 10.0 113.676 -178.778 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 520' ' ' PRO . . . . . 0.621 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 31.1 Cg_exo -62.32 -36.09 69.61 Favored 'Trans proline' 0 C--N 1.354 0.846 0 C-N-CA 121.772 1.648 . . . . 10.0 111.029 179.31 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 521' ' ' TYR . . . . . 0.467 ' HA ' ' OE1' ' D' ' 524' ' ' GLU . 24.2 t80 -66.8 -32.99 74.63 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.583 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 522' ' ' SER . . . . . 0.521 ' O ' ' HG3' ' D' ' 526' ' ' ARG . 67.1 m -65.84 -36.96 84.91 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.504 -0.554 . . . . 10.0 109.504 178.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 523' ' ' ASP . . . . . 0.436 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 10.1 t70 -70.44 -34.97 73.06 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.214 -0.661 . . . . 10.0 109.214 178.664 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 524' ' ' GLU . . . . . 0.467 ' OE1' ' HA ' ' D' ' 521' ' ' TYR . 74.8 mt-10 -68.84 -36.52 78.28 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 107.957 -1.127 . . . . 10.0 107.957 177.403 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 29.9 mt -65.85 -36.77 84.37 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.311 -0.859 . . . . 10.0 108.996 177.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 526' ' ' ARG . . . . . 0.521 ' HG3' ' O ' ' D' ' 522' ' ' SER . 77.9 mtt180 -58.93 -41.78 88.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.069 179.041 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -61.46 -45.17 95.37 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.189 0.519 . . . . 10.0 109.627 178.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 528' ' ' ARG . . . . . 0.654 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 89.5 mtt180 -66.55 -42.47 87.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.65 -0.705 . . . . 10.0 109.819 179.24 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 77.2 mt -64.75 -34.79 79.18 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.36 -0.382 . . . . 10.0 110.132 179.239 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 530' ' ' ALA . . . . . 0.488 ' O ' ' HB2' ' D' ' 534' ' ' GLU . . . -64.65 -42.65 95.27 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.587 -0.524 . . . . 10.0 109.587 178.735 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -72.08 -34.28 68.57 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-O 121.194 0.521 . . . . 10.0 109.981 178.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 16.5 ttm180 -67.53 -48.41 67.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.912 -0.586 . . . . 10.0 109.733 178.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 533' ' ' LEU . . . . . 0.663 HD23 HD12 ' D' ' 536' ' ' LEU . 83.8 mt -68.81 -24.93 64.45 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.893 -0.594 . . . . 10.0 109.42 178.686 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 534' ' ' GLU . . . . . 0.488 ' HB2' ' O ' ' D' ' 530' ' ' ALA . 12.9 tt0 -64.1 -46.05 85.92 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 108.244 -1.021 . . . . 10.0 108.244 178.471 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -64.3 -39.58 94.2 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.015 -0.735 . . . . 10.0 109.015 178.22 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 536' ' ' LEU . . . . . 0.663 HD12 HD23 ' D' ' 533' ' ' LEU . 91.7 mt -66.19 -28.11 68.5 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.577 -0.738 . . . . 10.0 110.736 179.501 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 43.5 mtmt -81.94 -44.87 16.17 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.818 -0.438 . . . . 10.0 109.818 178.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -62.17 -56.05 22.6 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.861 -0.609 . . . . 10.0 109.863 179.344 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -70.05 -27.91 65.03 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.856 -0.611 . . . . 10.0 109.664 179.366 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -64.76 -44.58 94.6 Favored Glycine 0 N--CA 1.446 -0.655 0 N-CA-C 110.329 -1.108 . . . . 10.0 110.329 178.534 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -63.63 -37.44 94.74 Favored Glycine 0 N--CA 1.45 -0.384 0 N-CA-C 110.392 -1.083 . . . . 10.0 110.392 178.604 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -67.2 -42.72 83.69 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.351 -0.611 . . . . 10.0 109.351 178.265 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 543' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' D' ' 543' ' ' ARG . 49.6 mtt85 -60.11 -40.06 88.38 Favored 'General case' 0 C--O 1.222 -0.381 0 CA-C-N 115.418 -0.81 . . . . 10.0 109.978 178.446 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 87.8 mt -63.1 -43.87 97.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.802 0.334 . . . . 10.0 110.304 179.346 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -62.48 -45.58 92.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.981 -0.554 . . . . 10.0 109.565 178.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 546' ' ' GLU . . . . . 0.591 ' O ' ' HD2' ' D' ' 550' ' ' LYS . 28.2 mt-10 -63.87 -46.31 85.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.542 -0.754 . . . . 10.0 110.246 178.756 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -55.59 -44.84 77.3 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.317 -0.401 . . . . 10.0 110.271 179.44 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -66.03 -42.4 89.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.272 -0.422 . . . . 10.0 110.722 179.264 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -64.28 -45.49 87.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.805 -0.634 . . . . 10.0 110.211 179.333 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 550' ' ' LYS . . . . . 0.591 ' HD2' ' O ' ' D' ' 546' ' ' GLU . 0.0 OUTLIER -68.62 -34.74 76.28 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.211 -0.449 . . . . 10.0 110.363 179.655 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -62.93 -44.67 95.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.186 179.51 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -67.06 -43.84 81.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.07 -0.513 . . . . 10.0 110.368 179.716 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -60.74 -48.59 81.12 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 109.584 -0.524 . . . . 10.0 109.584 178.181 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -59.05 -51.82 68.42 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.533 -0.758 . . . . 10.0 109.783 179.411 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 46.8 tp -57.81 -39.99 78.91 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.45 -0.341 . . . . 10.0 110.977 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 50.7 m -61.73 -46.63 88.79 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 109.781 -0.452 . . . . 10.0 109.781 179.273 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 557' ' ' THR . . . . . 0.457 ' HA ' ' HB3' ' D' ' 560' ' ' GLU . 41.0 p -73.89 -19.84 60.59 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 120.943 0.402 . . . . 10.0 111.294 179.392 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 36.9 mt -74.77 -53.71 8.68 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.161 -0.681 . . . . 10.0 109.161 178.354 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 5.5 m -65.16 -29.34 70.16 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.547 -0.538 . . . . 10.0 109.547 178.56 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 560' ' ' GLU . . . . . 0.457 ' HB3' ' HA ' ' D' ' 557' ' ' THR . 3.1 tt0 -58.46 -33.58 69.9 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.209 -0.905 . . . . 10.0 110.247 178.737 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 561' ' ' LYS . . . . . 0.843 ' HE2' ' HA ' ' A' ' 213' ' ' THR . 49.4 mttp -99.46 -33.12 10.8 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 116.009 -0.542 . . . . 10.0 110.806 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -52.57 -44.92 66.21 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.281 -0.418 . . . . 10.0 111.931 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -64.68 -62.34 5.09 Favored Pre-proline 0 CA--C 1.537 0.444 0 N-CA-C 112.891 0.7 . . . . 10.0 112.891 -179.471 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -60.15 -36.34 89.02 Favored 'Trans proline' 0 C--N 1.355 0.883 0 C-N-CA 121.955 1.77 . . . . 10.0 112.317 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 565' ' ' ALA . . . . . 0.525 ' O ' ' HG ' ' D' ' 569' ' ' LEU . . . -66.08 -47.74 73.27 Favored 'General case' 0 C--O 1.224 -0.252 0 N-CA-C 110.025 -0.361 . . . . 10.0 110.025 179.169 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 566' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' D' ' 566' ' ' LEU . 16.7 mt -62.05 -40.11 94.67 Favored 'General case' 0 CA--C 1.52 -0.197 0 N-CA-C 110.012 -0.366 . . . . 10.0 110.012 179.52 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -62.44 -48.09 81.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.309 -0.405 . . . . 10.0 110.126 179.247 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.31 -39.58 94.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.173 179.548 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 569' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' D' ' 565' ' ' ALA . 67.8 mt -63.23 -49.44 74.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.019 178.806 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 570' ' ' ARG . . . . . 0.668 ' O ' ' HG ' ' D' ' 574' ' ' LEU . 87.5 mtt180 -61.46 -53.51 55.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.87 0.367 . . . . 10.0 110.39 179.472 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -62.76 -19.5 64.04 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.755 -0.657 . . . . 10.0 111.632 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -90.06 -34.19 8.38 Favored Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 111.069 -0.812 . . . . 10.0 111.069 178.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 573' ' ' LEU . . . . . 0.728 ' HA ' HG12 ' D' ' 576' ' ' VAL . 67.5 mt -72.39 -34.14 67.7 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 122.207 0.203 . . . . 10.0 110.825 179.431 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 574' ' ' LEU . . . . . 0.668 ' HG ' ' O ' ' D' ' 570' ' ' ARG . 73.5 mt -49.49 -59.55 6.46 Favored Pre-proline 0 CA--C 1.536 0.436 0 N-CA-C 112.714 0.635 . . . . 10.0 112.714 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 575' ' ' PRO . . . . . 0.596 ' HD3' ' HB2' ' D' ' 574' ' ' LEU . 72.0 Cg_endo -77.09 -35.56 1.72 Allowed 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 121.846 1.697 . . . . 10.0 112.274 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 576' ' ' VAL . . . . . 0.728 HG12 ' HA ' ' D' ' 573' ' ' LEU . 0.4 OUTLIER -63.42 -36.93 78.11 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.078 0 C-N-CA 120.951 -0.3 . . . . 10.0 111.642 -179.277 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 30.1 mt -66.06 -38.2 87.72 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 109.766 -0.457 . . . . 10.0 109.766 179.015 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 578' ' ' GLU . . . . . 0.411 ' O ' HG23 ' D' ' 582' ' ' VAL . 52.3 mm-40 -64.41 -47.5 78.92 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.972 -0.558 . . . . 10.0 109.517 179.117 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 16.2 m -60.51 -38.86 85.75 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.044 -0.525 . . . . 10.0 110.125 178.675 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 5.0 m-30 -67.28 -39.56 86.05 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.282 178.615 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 83.2 mttt -62.69 -45.43 92.83 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 109.835 -0.431 . . . . 10.0 109.835 178.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 582' ' ' VAL . . . . . 0.411 HG23 ' O ' ' D' ' 578' ' ' GLU . 84.1 t -58.71 -47.17 89.77 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 CA-C-N 115.73 -0.668 . . . . 10.0 110.44 179.055 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 1.3 p -66.16 -35.64 81.01 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.659 -0.246 . . . . 10.0 111.172 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -67.3 -44.29 79.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.025 0.44 . . . . 10.0 110.28 178.646 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 63.7 mt -62.14 -46.99 86.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.812 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 2.6 p -64.83 -31.96 73.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.036 0.446 . . . . 10.0 110.535 179.243 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 587' ' ' ALA . . . . . 0.746 ' HA ' ' HE2' ' A' ' 396' ' ' LYS . . . -71.05 -52.15 21.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.523 179.215 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 96.3 mt -58.52 -42.38 87.58 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.0 -0.546 . . . . 10.0 111.451 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -61.94 -54.21 44.98 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.371 -0.377 . . . . 10.0 111.081 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -63.76 -36.2 83.1 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.43 -0.35 . . . . 10.0 111.5 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 3.0 m-30 -62.11 -45.15 94.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.933 0.397 . . . . 10.0 110.407 178.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 22.8 m -68.87 -28.15 66.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 10.0 111.254 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -73.38 -40.49 64.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.98 0.419 . . . . 10.0 110.612 179.286 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 9.8 mptt -77.47 -52.39 9.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.291 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 64.9 mt -87.76 65.27 8.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.183 0.516 . . . . 10.0 110.397 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 . . . . . 0 C--N 1.326 -0.431 0 CA-C-N 115.796 -0.638 . . . . 10.0 110.724 -179.728 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 8.2 m . . . . . 0 N--CA 1.455 -0.193 0 CA-C-O 120.681 0.277 . . . . 10.0 110.579 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 1.4 m -77.84 120.89 23.37 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.935 0.398 . . . . 10.0 110.384 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.426 ' HA ' ' HB3' ' B' ' 52' ' ' LEU . 22.0 tt0 -79.65 141.8 36.15 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.048 -0.524 . . . . 10.0 110.375 -179.553 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -137.86 107.75 6.31 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.665 0.269 . . . . 10.0 110.285 179.273 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.552 ' HA ' ' HB3' ' B' ' 54' ' ' ASP . 44.9 mttm -78.49 112.91 16.03 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.994 -0.548 . . . . 10.0 111.037 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.827 HD12 HG12 ' B' ' 55' ' ' ILE . 6.0 mt -111.28 122.51 48.04 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.899 -0.592 . . . . 10.0 110.622 -179.143 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 42.2 t -111.34 117.73 55.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 109.801 -0.444 . . . . 10.0 109.801 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 11.4 t -84.84 122.49 38.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 109.438 -0.579 . . . . 10.0 109.438 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 17.4 m -117.82 166.68 11.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 120.778 0.323 . . . . 10.0 111.457 -179.39 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 138.95 -176.32 20.99 Favored Glycine 0 N--CA 1.444 -0.796 0 N-CA-C 111.045 -0.822 . . . . 10.0 111.045 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -88.37 -171.17 3.25 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.704 0.288 . . . . 10.0 110.405 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.67 156.6 18.92 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.099 0.476 . . . . 10.0 111.116 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 79.83 -15.43 15.11 Favored Glycine 0 N--CA 1.446 -0.677 0 CA-C-N 115.903 -0.589 . . . . 10.0 114.442 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.559 HG23 ' HG3' ' B' ' 16' ' ' LYS . 32.6 m -65.88 -25.74 36.93 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 CA-C-N 117.695 0.747 . . . . 10.0 112.523 -178.788 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 97.6 31.63 6.65 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.695 -0.764 . . . . 10.0 113.15 179.013 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' LYS . . . . . 0.559 ' HG3' HG23 ' B' ' 14' ' ' VAL . 50.9 mtpt -55.28 -57.87 10.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.923 0.392 . . . . 10.0 110.538 179.729 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.81 -36.51 82.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.579 -0.737 . . . . 10.0 111.535 -179.164 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.96 -39.48 78.21 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 120.757 0.313 . . . . 10.0 110.436 179.288 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 64.7 mt -65.18 -42.44 93.63 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.76 178.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.12 -44.81 78.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 10.0 110.625 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 79.8 mt -59.09 -37.35 67.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.862 -0.608 . . . . 10.0 111.207 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' GLN . . . . . 0.627 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 0.0 OUTLIER -68.84 -17.9 64.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.368 -0.378 . . . . 10.0 111.943 179.732 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 3.3 tp -99.89 -28.45 13.11 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.051 0.453 . . . . 10.0 110.754 179.329 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 49.1 mm -84.68 -54.72 8.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.02 -0.536 . . . . 10.0 111.5 -179.658 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -99.39 -11.48 21.12 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.251 -0.432 . . . . 10.0 111.256 -179.105 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' ASN . . . . . 0.627 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 0.5 OUTLIER 63.3 42.78 6.65 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.021 -0.536 . . . . 10.0 112.211 179.071 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 8.0 p-80 -151.05 159.74 44.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.356 -0.384 . . . . 10.0 110.888 179.359 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -97.83 139.5 33.59 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.984 0.421 . . . . 10.0 111.269 -179.272 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 3.4 m -100.96 116.48 44.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.339 179.223 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -80.67 -25.92 37.92 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.938 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -85.71 130.45 34.56 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.105 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -82.34 114.18 20.63 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 109.904 -0.406 . . . . 10.0 109.904 179.72 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' ASP . . . . . 0.452 ' HA ' ' HD3' ' B' ' 34' ' ' PRO . 4.5 t70 -111.36 123.0 36.07 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.966 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 34' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' B' ' 33' ' ' ASP . 16.0 Cg_exo -69.7 80.83 0.84 Allowed 'Trans proline' 0 N--CA 1.46 -0.475 0 C-N-CA 122.547 2.165 . . . . 10.0 110.837 179.191 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.44 102.18 3.13 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.477 179.662 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.638 ' HA ' ' HB2' ' B' ' 59' ' ' ALA . 46.5 mm -80.81 -49.7 18.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 123.411 0.445 . . . . 10.0 110.688 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -153.1 101.89 2.6 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.911 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -142.51 146.18 34.44 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.314 -0.624 . . . . 10.0 109.314 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' SER . . . . . 0.552 ' HB3' HD12 ' B' ' 56' ' ' LEU . 1.9 p -134.27 153.53 51.81 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 111.996 0.369 . . . . 10.0 111.996 -179.034 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -138.99 137.43 36.35 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.002 -0.545 . . . . 10.0 110.094 -179.348 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.522 ' HA ' ' O ' ' B' ' 53' ' ' LEU . 1.0 OUTLIER -111.15 121.22 44.75 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.649 0.261 . . . . 10.0 110.61 -179.913 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 55.3 tttp -129.46 121.99 28.4 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.783 0.325 . . . . 10.0 111.065 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -93.87 120.26 33.89 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.156 -0.683 . . . . 10.0 109.156 179.231 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 2.8 m -138.71 165.74 23.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.397 -0.365 . . . . 10.0 111.414 -178.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 44.9 t -100.49 107.91 22.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.374 -0.602 . . . . 10.0 109.374 179.27 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 12.0 mt -124.82 130.28 73.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.372 -0.377 . . . . 10.0 110.519 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 60.41 24.02 13.57 Favored 'General case' 0 N--CA 1.464 0.27 0 O-C-N 123.654 0.596 . . . . 10.0 112.168 179.327 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 86.32 9.83 75.39 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.998 -0.62 . . . . 10.0 113.004 179.583 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -123.72 142.62 50.9 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.787 0.327 . . . . 10.0 111.239 -179.634 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 3.9 m -83.61 105.76 14.79 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 107.657 -1.238 . . . . 10.0 107.657 178.078 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 5.5 m -102.37 142.54 33.42 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 112.409 0.522 . . . . 10.0 112.409 -177.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.426 ' HB3' ' HA ' ' B' ' 3' ' ' GLU . 67.9 tp -105.11 99.21 8.83 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.078 -1.082 . . . . 10.0 108.078 178.099 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 53' ' ' LEU . . . . . 0.622 HD22 HD11 ' B' ' 6' ' ' LEU . 42.1 mt -75.59 116.74 16.62 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 112.824 0.676 . . . . 10.0 112.824 -178.189 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 54' ' ' ASP . . . . . 0.552 ' HB3' ' HA ' ' B' ' 5' ' ' LYS . 39.4 t0 -105.27 79.79 1.52 Allowed 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 107.419 -1.326 . . . . 10.0 107.419 178.119 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 55' ' ' ILE . . . . . 0.827 HG12 HD12 ' B' ' 6' ' ' LEU . 0.8 OUTLIER -91.17 141.89 13.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.718 -0.674 . . . . 10.0 112.299 -176.941 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.552 HD12 ' HB3' ' B' ' 39' ' ' SER . 3.3 tt -141.33 131.49 24.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.75 -0.659 . . . . 10.0 110.44 179.588 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 57' ' ' ASP . . . . . 0.415 ' OD1' ' HE2' ' B' ' 16' ' ' LYS . 18.0 t0 -97.37 132.52 43.01 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 109.862 -0.421 . . . . 10.0 109.862 178.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 22.0 p -100.69 163.81 12.16 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.01 -0.541 . . . . 10.0 111.19 -178.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 59' ' ' ALA . . . . . 0.638 ' HB2' ' HA ' ' B' ' 36' ' ' ILE . . . -80.45 115.7 20.12 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.775 0.321 . . . . 10.0 110.514 179.54 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -86.62 39.32 3.08 Favored Glycine 0 CA--C 1.52 0.378 0 C-N-CA 120.747 -0.739 . . . . 10.0 112.707 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -111.8 13.11 21.01 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.489 0.185 . . . . 10.0 111.366 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.471 ' HB3' ' H ' ' B' ' 63' ' ' GLU . 39.7 mm-40 59.99 -161.09 0.28 Allowed 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.269 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 63' ' ' GLU . . . . . 0.471 ' H ' ' HB3' ' B' ' 62' ' ' GLU . 3.7 mm-40 71.78 -39.14 0.44 Allowed 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 113.469 0.914 . . . . 10.0 113.469 179.077 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -77.11 44.45 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 111.984 0.365 . . . . 10.0 111.984 -179.308 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.33 -37.46 87.36 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.486 -0.325 . . . . 10.0 110.533 179.635 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.79 -39.24 90.75 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.648 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 90.4 mtp -77.53 -23.32 50.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.613 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 68' ' ' ARG . . . . . 0.716 ' HB3' HE22 ' B' ' 99' ' ' GLN . 5.5 ttp180 -61.34 -43.56 98.67 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.58 -0.736 . . . . 10.0 111.974 -179.342 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -65.09 -26.36 68.19 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.688 0.28 . . . . 10.0 111.092 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -65.51 -63.86 1.0 Allowed 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.332 0.493 . . . . 10.0 112.332 -178.636 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 71' ' ' TYR . . . . . 0.689 ' CZ ' ' HA ' ' B' ' 68' ' ' ARG . 4.3 p90 -66.92 -19.7 65.77 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 112.881 0.697 . . . . 10.0 112.881 -178.743 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 72' ' ' MET . . . . . 0.613 ' HE2' HG13 ' B' ' 100' ' ' ILE . 42.5 mtt -70.73 -25.79 63.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.191 0.519 . . . . 10.0 110.5 179.155 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 41.9 ttm105 -79.95 -43.76 21.5 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.786 -0.643 . . . . 10.0 110.459 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -75.84 -28.13 58.1 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.946 -0.57 . . . . 10.0 111.833 -179.405 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -70.02 137.44 28.27 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.65 -0.786 . . . . 10.0 113.538 -178.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -97.49 -45.1 6.56 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.077 0.465 . . . . 10.0 109.942 179.259 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 77' ' ' GLY . . . . . 0.4 ' HA3' HD11 ' B' ' 163' ' ' ILE . . . -121.98 137.06 11.29 Favored Glycine 0 N--CA 1.448 -0.507 0 N-CA-C 110.554 -1.018 . . . . 10.0 110.554 179.069 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 78' ' ' PHE . . . . . 0.423 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 93.2 m-85 -115.91 124.75 51.39 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.475 0.655 . . . . 10.0 111.716 -179.018 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.46 HD11 HG21 ' B' ' 114' ' ' VAL . 19.7 tp -96.85 108.89 21.66 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.476 -0.784 . . . . 10.0 110.186 -179.551 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 80' ' ' CYS . . . . . 0.432 ' HB3' HD12 ' B' ' 93' ' ' ILE . 18.6 m -87.23 102.27 14.32 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.902 -0.407 . . . . 10.0 109.902 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 66.2 t -107.54 132.88 53.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.129 0.49 . . . . 10.0 111.306 -178.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 33.0 p90 -139.97 163.48 32.57 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.723 -0.671 . . . . 10.0 109.544 179.05 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.596 ' HB3' ' HB3' ' B' ' 86' ' ' ASN . . . -97.92 131.85 44.02 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.867 -0.42 . . . . 10.0 109.867 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 84' ' ' ILE . . . . . 0.642 HD13 ' HA ' ' B' ' 118' ' ' CYS . 29.5 pt -64.84 -18.24 23.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 112.339 0.496 . . . . 10.0 112.339 -178.81 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 15.7 p-10 -107.63 12.79 27.26 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 121.253 0.549 . . . . 10.0 110.885 179.136 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.596 ' HB3' ' HB3' ' B' ' 83' ' ' ALA . 18.0 t-20 -131.2 90.61 2.9 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.453 -0.794 . . . . 10.0 109.473 179.637 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -65.17 -25.31 67.67 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.145 -0.48 . . . . 10.0 112.063 -178.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 25.7 tptp -58.69 -48.64 80.42 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.281 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 78.5 p -66.21 -26.34 67.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.076 -0.511 . . . . 10.0 111.347 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -67.96 -36.9 80.87 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.205 -0.452 . . . . 10.0 110.96 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -73.81 -34.99 64.83 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.83 0.348 . . . . 10.0 110.708 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -61.62 -22.88 65.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.779 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 93' ' ' ILE . . . . . 0.432 HD12 ' HB3' ' B' ' 80' ' ' CYS . 50.4 mm -58.83 -36.43 61.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.315 -0.402 . . . . 10.0 110.728 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 64.5 t60 -70.89 -45.03 65.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.756 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -60.18 -44.86 94.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.299 -0.409 . . . . 10.0 111.24 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -63.93 -46.83 82.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.08 -0.509 . . . . 10.0 109.875 178.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 17.3 ttt180 -54.82 -46.69 74.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.425 -0.807 . . . . 10.0 111.492 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -65.06 -31.75 73.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.026 -0.534 . . . . 10.0 112.328 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 99' ' ' GLN . . . . . 0.716 HE22 ' HB3' ' B' ' 68' ' ' ARG . 32.3 tt0 -74.7 -44.64 49.06 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 121.044 -0.262 . . . . 10.0 110.978 179.617 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 100' ' ' ILE . . . . . 0.613 HG13 ' HE2' ' B' ' 72' ' ' MET . 77.9 mt -55.58 -47.06 79.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.355 0.597 . . . . 10.0 109.898 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -70.28 -17.11 63.09 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.536 -0.757 . . . . 10.0 112.266 -179.302 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 8.5 tmm_? -85.41 -43.26 13.78 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.654 -0.499 . . . . 10.0 109.654 178.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 103' ' ' VAL . . . . . 0.455 HG23 ' O ' ' B' ' 99' ' ' GLN . 54.9 t -65.6 -43.68 93.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.406 179.352 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -87.64 -7.28 57.65 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.348 -179.655 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 30.4 t70 48.23 66.96 0.92 Allowed 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 112.899 0.703 . . . . 10.0 112.899 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 40.5 t -166.15 150.15 7.76 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.869 -0.605 . . . . 10.0 110.002 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -97.4 -4.16 38.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.94 0.4 . . . . 10.0 110.718 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -113.82 86.98 2.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.07 -0.514 . . . . 10.0 110.769 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 58.7 t -121.74 132.11 24.3 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.312 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -64.62 101.92 0.39 Allowed 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.932 2.421 . . . . 10.0 111.771 179.44 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 111' ' ' MET . . . . . 0.423 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 54.1 mtm -134.09 141.47 47.17 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.149 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 92.0 t -127.26 132.21 69.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 109.589 -0.522 . . . . 10.0 109.589 179.215 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 19.6 tp -90.4 118.33 29.8 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.103 -0.703 . . . . 10.0 109.103 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 114' ' ' VAL . . . . . 0.46 HG21 HD11 ' B' ' 79' ' ' LEU . 68.9 t -117.59 120.91 66.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.146 0.498 . . . . 10.0 111.815 -178.339 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -91.56 117.65 5.26 Favored Glycine 0 N--CA 1.444 -0.817 0 N-CA-C 109.437 -1.465 . . . . 10.0 109.437 178.162 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -100.5 160.49 14.31 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 112.388 0.514 . . . . 10.0 112.388 -178.322 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 82.6 mttt 64.11 36.18 9.88 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 114.858 -1.064 . . . . 10.0 111.866 179.057 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 118' ' ' CYS . . . . . 0.642 ' HA ' HD13 ' B' ' 84' ' ' ILE . 91.3 m -67.69 -9.16 41.13 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.485 0.55 . . . . 10.0 112.485 -179.689 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.68 -17.37 51.37 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.636 0.255 . . . . 10.0 110.694 179.577 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 89.4 mt -80.85 141.59 51.42 Favored Pre-proline 0 C--N 1.332 -0.186 0 CA-C-N 116.187 -0.46 . . . . 10.0 111.169 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -87.13 174.4 5.33 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 122.543 2.162 . . . . 10.0 111.56 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 36.3 m 58.26 51.97 7.89 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.333 0.587 . . . . 10.0 112.051 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 123' ' ' ARG . . . . . 0.502 ' HB3' HD12 ' B' ' 84' ' ' ILE . 11.9 ptp180 -76.16 148.51 37.73 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.775 -0.648 . . . . 10.0 110.741 179.729 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 16.9 p -96.28 -35.1 11.36 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.016 0.436 . . . . 10.0 110.076 179.564 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 40.8 t -96.71 110.82 25.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.051 -0.522 . . . . 10.0 109.841 179.012 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 126' ' ' ASP . . . . . 0.506 ' O ' ' HG2' ' B' ' 129' ' ' GLN . 2.0 t70 -78.58 159.49 28.09 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.943 -0.391 . . . . 10.0 109.943 179.632 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.13 -49.67 76.32 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 112.935 0.716 . . . . 10.0 112.935 -178.548 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 128' ' ' LYS . . . . . 0.639 ' HB2' ' HA ' ' C' ' 47' ' ' ASP . 0.0 OUTLIER -56.47 -39.59 73.46 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 113.719 1.007 . . . . 10.0 113.719 -178.743 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 129' ' ' GLN . . . . . 0.506 ' HG2' ' O ' ' B' ' 126' ' ' ASP . 17.4 pt20 -67.97 -27.45 66.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.032 0.444 . . . . 10.0 111.666 -178.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -88.15 -36.6 16.76 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.571 -0.529 . . . . 10.0 109.571 179.15 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -67.25 -46.3 74.14 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 115.831 -0.622 . . . . 10.0 111.909 -179.355 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -61.95 -42.17 98.81 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.948 0.404 . . . . 10.0 110.579 179.343 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 133' ' ' LEU . . . . . 0.429 HD12 ' HA ' ' B' ' 133' ' ' LEU . 10.9 tp -63.0 -47.6 82.42 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.012 -0.54 . . . . 10.0 110.376 179.737 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.81 -37.9 89.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.5 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 135' ' ' ARG . . . . . 0.488 ' HD3' ' HB2' ' C' ' 165' ' ' LYS . 5.5 tmm_? -63.27 -38.75 92.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.62 -0.718 . . . . 10.0 110.225 179.355 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 21.9 t -65.82 -42.97 89.93 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.86 -0.609 . . . . 10.0 111.232 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -75.72 -35.4 60.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.336 -0.393 . . . . 10.0 111.841 -179.409 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 102.27 35.48 3.88 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.786 -0.721 . . . . 10.0 112.154 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 139' ' ' ILE . . . . . 0.405 ' HA ' ' HD3' ' B' ' 140' ' ' PRO . 34.3 pt -121.99 148.57 51.81 Favored Pre-proline 0 C--N 1.326 -0.431 0 N-CA-C 110.224 -0.287 . . . . 10.0 110.224 179.549 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 140' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' B' ' 139' ' ' ILE . 7.4 Cg_exo -74.82 149.94 38.35 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 122.831 2.354 . . . . 10.0 111.735 179.615 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -132.69 127.24 34.37 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.009 -0.541 . . . . 10.0 109.949 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 49.5 mt -134.29 134.13 55.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.562 -0.29 . . . . 10.0 110.738 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 143' ' ' GLU . . . . . 0.49 ' HB3' ' SG ' ' B' ' 118' ' ' CYS . 26.4 mt-10 -86.5 135.67 33.37 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.6 -0.889 . . . . 10.0 108.6 177.847 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 20.3 p -132.72 162.31 31.75 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.159 0.8 . . . . 10.0 113.159 -178.087 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 29.1 t -154.85 103.62 2.44 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.099 -1.075 . . . . 10.0 108.099 178.682 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 146' ' ' ALA . . . . . 0.474 ' HB1' ' HG3' ' B' ' 22' ' ' GLN . . . -64.74 -34.91 79.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.996 -0.547 . . . . 10.0 111.515 -179.125 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -61.21 -28.05 68.87 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.213 0.449 . . . . 10.0 112.213 -179.61 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 14.0 p -105.8 -3.7 21.69 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 121.124 -0.231 . . . . 10.0 111.307 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 149' ' ' ARG . . . . . 0.654 HH21 ' HB ' ' B' ' 152' ' ' VAL . 0.8 OUTLIER 57.11 37.47 28.57 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 121.233 0.54 . . . . 10.0 110.858 179.712 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -117.0 131.09 57.04 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.566 0.58 . . . . 10.0 112.566 -178.724 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 76.64 -8.75 26.09 Favored Glycine 0 C--N 1.333 0.363 0 N-CA-C 115.077 0.791 . . . . 10.0 115.077 177.292 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 152' ' ' VAL . . . . . 0.654 ' HB ' HH21 ' B' ' 149' ' ' ARG . 61.7 t -65.52 -43.27 94.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 117.462 0.631 . . . . 10.0 111.616 -178.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -62.06 -42.02 98.75 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.776 -0.453 . . . . 10.0 109.776 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -57.81 -43.33 85.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.187 -0.915 . . . . 10.0 111.999 -179.658 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -58.19 -45.7 87.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 10.0 111.42 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -69.01 -40.51 78.65 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.369 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 6.2 m-30 -65.33 -41.62 93.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 10.0 111.416 -179.628 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 35.0 m -66.22 -42.14 89.11 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.982 -0.554 . . . . 10.0 112.257 -179.527 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 62.6 tp -61.83 -42.09 98.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.683 0.278 . . . . 10.0 111.687 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 91.8 t -62.12 -39.37 83.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.341 0.591 . . . . 10.0 110.118 179.405 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 161' ' ' ARG . . . . . 0.404 ' HG2' ' HG3' ' C' ' 135' ' ' ARG . 9.9 ttp180 -62.39 -38.81 91.05 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.338 -0.846 . . . . 10.0 110.891 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -64.76 -37.33 87.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.298 -0.41 . . . . 10.0 111.086 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 163' ' ' ILE . . . . . 0.4 HD11 ' HA3' ' B' ' 77' ' ' GLY . 44.5 mt -69.64 -47.16 72.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 109.8 -0.445 . . . . 10.0 109.8 179.344 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 41.0 ttm105 -60.21 -38.19 82.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.606 -0.725 . . . . 10.0 109.541 179.013 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 115.469 -0.787 . . . . 10.0 110.422 179.498 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 CA-C-O 120.89 0.376 . . . . 10.0 111.284 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 2' ' ' THR . . . . . 0.618 ' HB ' ' CE2' ' C' ' 4' ' ' TYR . 0.3 OUTLIER -81.67 126.66 32.04 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.292 -0.413 . . . . 10.0 109.966 -179.378 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -90.52 132.59 35.6 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.382 -0.372 . . . . 10.0 110.844 -179.659 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 4' ' ' TYR . . . . . 0.618 ' CE2' ' HB ' ' C' ' 2' ' ' THR . 98.2 m-85 -128.44 106.54 9.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.51 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 5' ' ' LYS . . . . . 0.607 ' HA ' ' HB3' ' C' ' 54' ' ' ASP . 41.3 mttm -81.13 111.1 17.27 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.28 -0.418 . . . . 10.0 109.901 179.468 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 6' ' ' LEU . . . . . 0.464 ' O ' ' HA ' ' C' ' 55' ' ' ILE . 18.2 mt -113.27 125.65 54.54 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.897 -178.655 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 43.9 t -113.36 122.55 67.71 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 N-CA-C 109.942 -0.392 . . . . 10.0 109.942 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.726 HG12 ' HD2' ' C' ' 16' ' ' LYS . 3.0 t -87.38 114.92 27.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 108.987 -0.746 . . . . 10.0 108.987 179.622 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 9' ' ' VAL . . . . . 0.507 ' HB ' ' HD1' ' C' ' 96' ' ' TYR . 15.1 m -113.4 148.3 16.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.119 0.485 . . . . 10.0 111.425 -179.309 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 154.84 171.83 21.98 Favored Glycine 0 N--CA 1.444 -0.803 0 N-CA-C 111.16 -0.776 . . . . 10.0 111.16 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.66 -175.58 0.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.336 0.589 . . . . 10.0 112.181 -179.088 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.2 146.27 25.46 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.756 -0.657 . . . . 10.0 110.913 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 73.5 13.11 80.27 Favored Glycine 0 CA--C 1.523 0.543 0 CA-C-N 115.806 -0.634 . . . . 10.0 114.28 179.111 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 32.0 m -84.81 -25.56 6.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 112.788 0.662 . . . . 10.0 112.788 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 115.39 16.52 7.06 Favored Glycine 0 C--N 1.334 0.446 0 C-N-CA 120.297 -0.954 . . . . 10.0 114.418 179.341 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 16' ' ' LYS . . . . . 0.726 ' HD2' HG12 ' C' ' 8' ' ' VAL . 21.1 mtmm -59.54 -40.55 87.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.044 0.449 . . . . 10.0 112.053 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 43.2 m -75.51 -44.08 45.63 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 110.092 -0.336 . . . . 10.0 110.092 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.33 -49.91 68.64 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.881 -0.6 . . . . 10.0 111.661 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 78.2 mt -60.82 -45.38 94.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.398 -0.365 . . . . 10.0 111.493 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 14.6 m -66.32 -49.83 65.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.261 -0.427 . . . . 10.0 111.298 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 94.3 mt -60.38 -34.87 59.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.561 -0.29 . . . . 10.0 111.374 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 22' ' ' GLN . . . . . 0.695 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 2.8 mm-40 -61.58 -24.47 66.69 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.483 0.549 . . . . 10.0 112.483 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 23' ' ' LEU . . . . . 0.779 HD21 ' HA ' ' C' ' 153' ' ' ASP . 7.6 mp -106.25 -28.43 10.43 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 111.686 0.254 . . . . 10.0 111.686 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 24' ' ' ILE . . . . . 0.439 HD11 HD12 ' C' ' 55' ' ' ILE . 43.6 mm -78.0 -57.34 5.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-O 120.791 0.329 . . . . 10.0 110.866 179.419 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -96.89 -14.77 21.57 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.36 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 26' ' ' ASN . . . . . 0.695 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 21.9 m-80 66.13 52.49 1.16 Allowed 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 113.87 1.063 . . . . 10.0 113.87 178.511 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -162.52 161.94 27.17 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.559 -0.291 . . . . 10.0 110.293 178.71 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -101.63 137.6 39.73 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.939 0.4 . . . . 10.0 111.208 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 11.1 m -97.44 128.28 48.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.202 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -94.36 -29.55 14.95 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.504 0.669 . . . . 10.0 109.295 179.29 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -80.17 138.9 36.95 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.48 -0.782 . . . . 10.0 110.626 -179.592 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -89.77 113.32 24.84 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.587 -179.526 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -127.61 108.47 20.76 Favored Pre-proline 0 C--N 1.321 -0.633 0 C-N-CA 120.928 -0.309 . . . . 10.0 111.008 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_exo -58.73 130.36 36.62 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 122.729 2.286 . . . . 10.0 111.498 179.177 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 35' ' ' THR . . . . . 0.501 ' CG2' ' HB2' ' C' ' 38' ' ' ASP . 2.2 m -104.46 123.63 47.82 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.494 -179.262 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 45.5 mm -83.82 -57.18 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.872 0.368 . . . . 10.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -161.74 78.84 0.55 Allowed 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.48 -0.563 . . . . 10.0 109.48 -179.543 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 38' ' ' ASP . . . . . 0.501 ' HB2' ' CG2' ' C' ' 35' ' ' THR . 0.1 OUTLIER -111.76 127.36 55.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.186 -179.196 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.06 149.46 30.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.978 -0.555 . . . . 10.0 111.391 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -137.7 141.76 41.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.708 -0.678 . . . . 10.0 109.483 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 41' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' C' ' 53' ' ' LEU . 1.7 mpp_? -115.57 130.05 56.73 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.732 0.301 . . . . 10.0 110.939 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 56.8 tttp -133.52 133.64 42.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -108.92 106.48 16.48 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.814 -0.439 . . . . 10.0 109.814 179.547 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 1.5 m -128.36 161.45 36.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 120.966 0.412 . . . . 10.0 111.21 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -93.81 106.88 18.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.312 179.143 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 68.1 mt -113.12 119.41 60.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.456 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 47' ' ' ASP . . . . . 0.664 ' HB2' HH12 ' C' ' 164' ' ' ARG . 19.7 m-20 63.24 32.23 15.03 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.159 -0.928 . . . . 10.0 111.431 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.68 -4.56 78.44 Favored Glycine 0 C--N 1.33 0.25 0 CA-C-N 115.753 -0.658 . . . . 10.0 113.035 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -110.57 133.53 53.22 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.653 0.263 . . . . 10.0 110.988 -178.754 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.41 125.92 27.98 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.274 -0.639 . . . . 10.0 109.274 178.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 17.3 m -123.76 131.69 53.65 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 112.396 0.517 . . . . 10.0 112.396 -178.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 41.5 tp -100.13 102.55 13.9 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 107.874 -1.158 . . . . 10.0 107.874 177.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 53' ' ' LEU . . . . . 0.408 ' O ' ' HA ' ' C' ' 41' ' ' ARG . 19.0 mt -86.17 127.6 34.75 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 113.186 0.809 . . . . 10.0 113.186 -177.41 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 54' ' ' ASP . . . . . 0.607 ' HB3' ' HA ' ' C' ' 5' ' ' LYS . 18.6 t0 -108.08 87.83 2.59 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 107.341 -1.355 . . . . 10.0 107.341 177.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 55' ' ' ILE . . . . . 0.464 ' HA ' ' O ' ' C' ' 6' ' ' LEU . 3.1 mt -93.55 147.25 5.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.038 -0.528 . . . . 10.0 112.028 -176.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 9.6 tp -147.62 130.02 15.75 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.372 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 57' ' ' ASP . . . . . 0.617 ' OD1' ' HE2' ' C' ' 16' ' ' LYS . 29.0 t0 -91.08 138.58 31.49 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 109.721 -0.474 . . . . 10.0 109.721 178.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 33.2 p -103.97 147.83 26.91 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.22 0.533 . . . . 10.0 111.792 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.81 103.32 5.84 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.733 -0.667 . . . . 10.0 109.769 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -82.99 22.51 6.75 Favored Glycine 0 C--O 1.228 -0.221 0 C-N-CA 121.199 -0.525 . . . . 10.0 113.081 -179.003 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -91.18 1.61 56.97 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.176 -0.676 . . . . 10.0 109.176 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 62' ' ' GLU . . . . . 0.462 ' HB3' ' H ' ' C' ' 63' ' ' GLU . 40.0 mm-40 67.77 -157.94 0.21 Allowed 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.401 -0.818 . . . . 10.0 111.444 -179.354 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 63' ' ' GLU . . . . . 0.462 ' H ' ' HB3' ' C' ' 62' ' ' GLU . 1.3 tt0 76.2 -24.3 0.22 Allowed 'General case' 0 N--CA 1.466 0.347 0 O-C-N 123.609 0.568 . . . . 10.0 111.582 -179.75 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 64' ' ' TYR . . . . . 0.599 ' HB3' ' HB3' ' C' ' 67' ' ' MET . 47.4 m-85 -96.13 79.87 3.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.528 -0.306 . . . . 10.0 110.532 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -78.11 -59.62 2.71 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.011 -0.54 . . . . 10.0 111.048 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.72 -35.48 65.09 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.85 -0.614 . . . . 10.0 111.981 -179.279 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 67' ' ' MET . . . . . 0.599 ' HB3' ' HB3' ' C' ' 64' ' ' TYR . 27.5 ttt -61.4 -35.58 77.91 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.153 0.501 . . . . 10.0 110.937 179.739 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 68' ' ' ARG . . . . . 0.645 ' O ' ' HG2' ' C' ' 72' ' ' MET . 13.4 ttp180 -65.72 -32.28 73.75 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.883 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.38 -23.83 67.43 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.318 -0.401 . . . . 10.0 111.344 -179.567 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -62.22 -58.88 6.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.478 -0.328 . . . . 10.0 111.655 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 71' ' ' TYR . . . . . 0.593 ' CE2' ' HA ' ' C' ' 68' ' ' ARG . 0.1 OUTLIER -72.45 -14.04 61.59 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.446 0.535 . . . . 10.0 112.446 -179.53 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 72' ' ' MET . . . . . 0.645 ' HG2' ' O ' ' C' ' 68' ' ' ARG . 19.3 mmt -69.43 -22.29 63.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.113 0.482 . . . . 10.0 110.538 179.227 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 73' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' C' ' 73' ' ' ARG . 68.6 mtt85 -86.12 -49.38 7.81 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.649 -179.323 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.34 -40.17 74.25 Favored 'General case' 0 C--O 1.238 0.45 0 O-C-N 123.348 0.405 . . . . 10.0 111.925 -179.247 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.73 135.38 38.23 Favored Glycine 0 C--N 1.333 0.376 0 O-C-N 123.579 0.549 . . . . 10.0 112.922 -179.567 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -100.9 -52.79 3.21 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.841 -0.429 . . . . 10.0 109.841 179.409 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 77' ' ' GLY . . . . . 0.444 ' HA2' ' HB2' ' C' ' 110' ' ' PRO . . . -102.11 124.71 8.29 Favored Glycine 0 N--CA 1.441 -0.998 0 N-CA-C 111.1 -0.8 . . . . 10.0 111.1 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 78' ' ' PHE . . . . . 0.459 ' HB2' ' HG3' ' C' ' 111' ' ' MET . 96.9 m-85 -105.6 122.59 46.35 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.414 0.626 . . . . 10.0 111.513 -179.511 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 79' ' ' LEU . . . . . 0.533 HD23 HG13 ' C' ' 8' ' ' VAL . 18.5 tp -96.66 97.65 9.54 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.452 -0.794 . . . . 10.0 109.66 -179.676 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 80' ' ' CYS . . . . . 0.776 ' HB3' HD12 ' C' ' 93' ' ' ILE . 79.4 m -79.67 101.32 8.31 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.959 0.409 . . . . 10.0 110.294 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 62.0 t -106.73 129.49 60.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.857 -0.61 . . . . 10.0 111.554 -179.465 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -135.67 167.67 20.69 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.636 -0.711 . . . . 10.0 109.451 179.252 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -106.38 135.18 48.32 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.486 -0.325 . . . . 10.0 110.193 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 84' ' ' ILE . . . . . 0.495 HD12 ' HB3' ' C' ' 123' ' ' ARG . 39.9 pt -68.02 -12.36 15.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 112.316 0.487 . . . . 10.0 112.316 -179.622 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -97.7 -13.66 21.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.245 0.545 . . . . 10.0 110.04 179.087 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 48.6 t-20 -106.81 93.91 4.82 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.966 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.23 -35.68 74.09 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.609 -0.723 . . . . 10.0 112.099 -179.098 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 14.6 tttp -65.07 -40.04 94.11 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.496 -0.32 . . . . 10.0 111.619 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 89' ' ' SER . . . . . 0.491 ' HA ' ' HB2' ' C' ' 92' ' ' ASP . 95.2 p -61.02 -28.18 68.86 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.842 0.353 . . . . 10.0 111.412 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 92.6 t80 -69.73 -36.93 76.28 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.416 0.626 . . . . 10.0 109.33 178.737 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -80.06 -27.86 39.31 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.6 -0.727 . . . . 10.0 109.705 179.704 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 92' ' ' ASP . . . . . 0.491 ' HB2' ' HA ' ' C' ' 89' ' ' SER . 0.2 OUTLIER -58.92 -35.73 73.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.547 -0.751 . . . . 10.0 110.664 178.948 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 93' ' ' ILE . . . . . 0.776 HD12 ' HB3' ' C' ' 80' ' ' CYS . 51.5 mm -59.17 -39.12 77.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.74 -0.664 . . . . 10.0 111.07 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -59.5 -41.07 89.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.39 -0.368 . . . . 10.0 110.321 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 31.1 m-70 -74.01 -39.76 63.37 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.954 -0.566 . . . . 10.0 110.894 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 96' ' ' TYR . . . . . 0.507 ' HD1' ' HB ' ' C' ' 9' ' ' VAL . 3.2 m-85 -63.91 -46.97 82.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.718 179.391 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -57.51 -42.44 82.78 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.951 -0.568 . . . . 10.0 111.245 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -66.46 -37.39 85.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.293 -0.412 . . . . 10.0 111.72 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 99' ' ' GLN . . . . . 0.621 ' O ' HG23 ' C' ' 103' ' ' VAL . 21.7 tt0 -63.53 -45.71 89.34 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.337 -0.616 . . . . 10.0 109.337 179.315 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 100' ' ' ILE . . . . . 0.513 HG12 ' SD ' ' C' ' 72' ' ' MET . 81.9 mt -56.81 -46.76 83.5 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 CA-C-N 115.713 -0.676 . . . . 10.0 110.387 179.467 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 101' ' ' LYS . . . . . 0.483 ' HB3' ' HE2' ' C' ' 101' ' ' LYS . 31.3 mtpt -59.98 -39.22 84.96 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.837 -0.62 . . . . 10.0 111.174 179.512 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 8.2 tmm_? -70.11 -46.51 64.68 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.477 -0.783 . . . . 10.0 111.706 -179.397 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 103' ' ' VAL . . . . . 0.621 HG23 ' O ' ' C' ' 99' ' ' GLN . 40.1 t -62.86 -50.85 78.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 112.067 0.395 . . . . 10.0 112.067 -179.304 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 22.4 mtpp -79.8 -16.12 56.13 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 112.546 0.573 . . . . 10.0 112.546 -178.494 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 3.7 t70 60.01 48.06 9.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.686 0.755 . . . . 10.0 110.591 -179.54 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 44.8 m -147.79 139.96 24.28 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.578 -0.737 . . . . 10.0 110.981 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 26.8 tp10 -77.74 -42.21 34.99 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.444 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -96.54 107.99 20.49 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.095 -0.502 . . . . 10.0 111.14 -179.312 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 88.2 t -131.55 133.96 24.96 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.851 -0.613 . . . . 10.0 109.662 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 110' ' ' PRO . . . . . 0.451 ' HG3' ' HB2' ' C' ' 166' ' ' HIS . 51.9 Cg_exo -55.43 110.42 0.55 Allowed 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 122.552 2.168 . . . . 10.0 110.991 179.082 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 111' ' ' MET . . . . . 0.459 ' HG3' ' HB2' ' C' ' 78' ' ' PHE . 9.9 ttm -142.87 146.72 34.37 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.297 -178.806 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 88.6 t -133.79 131.47 56.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 109.573 -0.529 . . . . 10.0 109.573 179.007 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 113' ' ' LEU . . . . . 0.432 ' O ' ' HA ' ' C' ' 141' ' ' PHE . 15.4 tp -92.54 117.2 29.7 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.247 -0.649 . . . . 10.0 109.247 179.742 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 70.0 t -124.67 130.52 73.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 121.194 0.521 . . . . 10.0 111.898 -179.096 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -107.96 125.45 7.91 Favored Glycine 0 N--CA 1.444 -0.793 0 N-CA-C 110.285 -1.126 . . . . 10.0 110.285 178.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -103.38 168.42 9.17 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.943 0.372 . . . . 10.0 110.625 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 93.9 mttt 66.71 29.91 8.4 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 123.409 0.684 . . . . 10.0 112.001 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 118' ' ' CYS . . . . . 0.466 ' HA ' ' CD1' ' C' ' 84' ' ' ILE . 53.5 m -70.93 -6.7 40.55 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.32 0.489 . . . . 10.0 112.32 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -87.25 -8.67 56.54 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.295 -0.411 . . . . 10.0 110.216 179.568 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 1.7 mt -98.89 132.38 23.82 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.834 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.57 -174.73 2.12 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.993 2.462 . . . . 10.0 111.862 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 12.4 m 60.44 42.22 14.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.886 -0.597 . . . . 10.0 111.724 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 123' ' ' ARG . . . . . 0.575 ' HD3' ' O ' ' C' ' 125' ' ' VAL . 5.9 ptp180 -73.57 145.47 45.45 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.366 -0.379 . . . . 10.0 110.925 179.736 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 1.3 p -101.96 -18.24 15.76 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.193 0.52 . . . . 10.0 110.608 179.38 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 125' ' ' VAL . . . . . 0.575 ' O ' ' HD3' ' C' ' 123' ' ' ARG . 59.8 t -104.52 124.06 58.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.688 -0.687 . . . . 10.0 111.109 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 126' ' ' ASP . . . . . 0.402 ' HB2' ' HG2' ' C' ' 129' ' ' GLN . 0.8 OUTLIER -83.99 147.95 27.16 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.914 -0.585 . . . . 10.0 110.237 -179.781 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 127' ' ' THR . . . . . 0.622 HG23 ' HE2' ' C' ' 141' ' ' PHE . 10.7 m -68.39 -40.28 81.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.918 0.39 . . . . 10.0 110.401 179.686 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt -60.43 -47.74 84.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.666 -0.697 . . . . 10.0 110.78 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 129' ' ' GLN . . . . . 0.402 ' HG2' ' HB2' ' C' ' 126' ' ' ASP . 3.0 pt20 -66.64 -31.93 72.93 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.863 0.363 . . . . 10.0 111.256 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.14 -37.56 69.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.191 0.519 . . . . 10.0 109.735 179.052 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -71.3 -32.82 69.09 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.604 -0.725 . . . . 10.0 111.089 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -64.2 -41.64 96.98 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.276 0.56 . . . . 10.0 109.567 178.386 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 22.1 tp -67.58 -39.29 84.87 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.528 -0.76 . . . . 10.0 109.264 178.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.77 -36.47 84.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.532 -0.758 . . . . 10.0 109.894 179.009 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 135' ' ' ARG . . . . . 0.404 ' HG3' ' HG2' ' B' ' 161' ' ' ARG . 2.6 tmm_? -65.3 -38.26 89.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.989 -0.55 . . . . 10.0 109.832 179.389 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 9.7 t -66.56 -35.69 80.83 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.163 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 19.8 m-30 -79.82 -37.65 34.66 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.048 -0.523 . . . . 10.0 110.826 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 92.66 33.88 7.24 Favored Glycine 0 N--CA 1.446 -0.69 0 N-CA-C 110.48 -1.048 . . . . 10.0 110.48 -179.058 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 139' ' ' ILE . . . . . 0.428 HG21 ' HB3' ' C' ' 111' ' ' MET . 48.0 pt -126.02 157.24 70.13 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 115.635 -0.282 . . . . 10.0 110.381 -179.064 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_endo -79.35 150.53 22.45 Favored 'Trans proline' 0 CA--C 1.532 0.395 0 C-N-CA 122.253 1.969 . . . . 10.0 112.273 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 141' ' ' PHE . . . . . 0.622 ' HE2' HG23 ' C' ' 127' ' ' THR . 54.7 t80 -122.6 121.88 37.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.047 179.211 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 142' ' ' ILE . . . . . 0.425 HD12 ' HA ' ' C' ' 155' ' ' ALA . 59.6 mt -123.99 123.94 67.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.248 -0.433 . . . . 10.0 111.647 -179.056 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -84.06 129.59 34.9 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.409 -0.96 . . . . 10.0 108.409 178.015 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 46.5 p -135.45 168.54 19.03 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.564 0.697 . . . . 10.0 112.681 -178.335 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 13.7 t -146.61 113.2 5.99 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.192 -1.04 . . . . 10.0 108.192 178.381 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -65.11 -26.34 68.17 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.236 -0.438 . . . . 10.0 111.246 -179.276 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 31.1 mtpt -71.21 -22.82 61.96 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.824 0.676 . . . . 10.0 112.824 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -123.68 2.72 8.9 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.972 0.36 . . . . 10.0 111.972 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 14.7 ttt85 57.91 30.47 19.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.36 0.6 . . . . 10.0 110.22 -178.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -66.76 99.71 0.63 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.356 -0.838 . . . . 10.0 112.712 -178.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 61.36 16.46 49.62 Favored Glycine 0 CA--C 1.52 0.403 0 CA-C-N 115.751 -0.659 . . . . 10.0 114.663 178.446 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 49.5 t -64.96 -39.62 86.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 117.231 0.516 . . . . 10.0 110.424 -179.488 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 153' ' ' ASP . . . . . 0.779 ' HA ' HD21 ' C' ' 23' ' ' LEU . 0.4 OUTLIER -66.54 -45.1 80.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.892 -0.595 . . . . 10.0 110.355 -179.899 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -64.98 -40.22 94.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.593 -0.731 . . . . 10.0 112.073 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 155' ' ' ALA . . . . . 0.425 ' HA ' HD12 ' C' ' 142' ' ' ILE . . . -57.77 -43.93 85.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.684 179.66 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 156' ' ' PHE . . . . . 0.49 ' CD2' HD22 ' C' ' 23' ' ' LEU . 9.2 m-30 -69.43 -38.79 78.02 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.562 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 13.0 m-30 -63.35 -40.16 96.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.127 0.489 . . . . 10.0 110.645 179.497 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 158' ' ' THR . . . . . 0.607 ' HA ' ' HE ' ' C' ' 161' ' ' ARG . 92.6 m -62.52 -32.32 73.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.752 -0.658 . . . . 10.0 111.212 179.783 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 159' ' ' LEU . . . . . 0.455 ' HG ' HD22 ' C' ' 6' ' ' LEU . 38.0 tp -63.08 -34.25 77.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.35 0.595 . . . . 10.0 109.888 178.679 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 62.2 t -71.63 -37.29 62.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.695 -0.684 . . . . 10.0 109.688 178.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 161' ' ' ARG . . . . . 0.607 ' HE ' ' HA ' ' C' ' 158' ' ' THR . 0.9 OUTLIER -61.81 -38.61 88.75 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.726 -0.67 . . . . 10.0 109.932 179.242 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -62.33 -38.57 89.98 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.991 -0.549 . . . . 10.0 111.195 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 62.6 mt -64.01 -46.72 93.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-O 120.901 0.382 . . . . 10.0 110.448 179.196 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 164' ' ' ARG . . . . . 0.664 HH12 ' HB2' ' C' ' 47' ' ' ASP . 81.0 mtt180 -62.37 -40.88 97.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.902 -0.59 . . . . 10.0 109.664 179.306 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 165' ' ' LYS . . . . . 0.488 ' HB2' ' HD3' ' B' ' 135' ' ' ARG . 33.9 ttmt -62.41 -46.85 86.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.388 -0.823 . . . . 10.0 110.089 179.312 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 166' ' ' HIS . . . . . 0.451 ' HB2' ' HG3' ' C' ' 110' ' ' PRO . 15.3 t-80 -55.08 -50.41 69.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.603 -0.726 . . . . 10.0 110.721 179.588 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 47.4 mttt . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 116.338 -0.392 . . . . 10.0 111.544 -179.567 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 10.9 tttm . . . . . 0 C--O 1.233 0.204 0 CA-C-O 120.945 0.403 . . . . 10.0 110.716 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 91.2 mt -65.03 -34.95 79.66 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.003 -0.544 . . . . 10.0 111.416 -179.495 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 93.7 mt -71.53 -43.93 65.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.441 -0.345 . . . . 10.0 111.213 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -69.22 -45.03 70.86 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.326 -0.397 . . . . 10.0 110.924 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 206' ' ' ASN . . . . . 0.498 ' O ' HG23 ' A' ' 210' ' ' VAL . 3.2 m120 -59.27 -39.18 82.1 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 116.259 -0.428 . . . . 10.0 109.926 178.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 66.8 t90 -61.55 -40.4 94.56 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.733 -0.667 . . . . 10.0 109.846 179.513 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -61.93 -41.71 98.27 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.468 179.44 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 4.4 m -59.9 -40.59 89.27 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.003 179.022 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 210' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 206' ' ' ASN . 39.8 t -69.84 -41.34 79.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.971 -0.559 . . . . 10.0 109.893 179.043 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 24.7 m -57.25 -48.16 79.57 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.75 -0.659 . . . . 10.0 111.508 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 13.9 m -63.53 -39.91 95.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.378 -0.374 . . . . 10.0 110.6 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 34.4 m -63.0 -37.72 88.3 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.109 0.48 . . . . 10.0 109.989 179.177 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -64.54 -43.29 94.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.731 -0.668 . . . . 10.0 110.059 178.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 23.3 m -64.24 -45.95 85.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.048 -0.523 . . . . 10.0 110.103 179.218 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 47.6 mmtt -58.63 -44.63 90.07 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.181 0.515 . . . . 10.0 109.977 178.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 28.3 mt -66.24 -36.34 82.75 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.69 -0.686 . . . . 10.0 111.207 179.574 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 218' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 218' ' ' ARG . 13.1 mtt85 -70.51 -38.01 74.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.589 -0.278 . . . . 10.0 110.908 179.666 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -64.74 -40.32 95.1 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.475 -0.565 . . . . 10.0 109.475 178.707 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -72.28 -28.76 63.32 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.435 -0.802 . . . . 10.0 109.441 178.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 2.0 mt -59.81 -31.01 69.31 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 116.143 -0.481 . . . . 10.0 111.024 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -56.04 -69.11 1.37 Allowed Glycine 0 C--N 1.33 0.213 0 N-CA-C 110.737 -0.945 . . . . 10.0 110.737 178.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_exo -55.85 -38.87 93.95 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.527 2.151 . . . . 10.0 110.737 177.494 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 8.7 t -55.46 -51.13 60.48 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-N 116.606 -0.27 . . . . 10.0 111.243 179.666 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 225' ' ' THR . . . . . 0.454 ' O ' ' HB2' ' A' ' 229' ' ' TRP . 2.3 p -67.03 -34.32 77.46 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 110.235 -0.283 . . . . 10.0 110.235 179.382 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -64.86 -52.38 56.93 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.152 -0.477 . . . . 10.0 110.084 178.793 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 227' ' ' GLU . . . . . 0.485 ' HG2' ' HG2' ' D' ' 546' ' ' GLU . 1.1 mp0 -58.37 -48.54 80.27 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 123.546 0.529 . . . . 10.0 110.464 179.147 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -59.75 -49.78 76.37 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.062 -0.517 . . . . 10.0 111.392 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 229' ' ' TRP . . . . . 0.454 ' HB2' ' O ' ' A' ' 225' ' ' THR . 0.8 OUTLIER -65.02 -39.93 94.12 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.207 -0.451 . . . . 10.0 110.975 179.902 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -58.15 -44.72 88.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.209 0.528 . . . . 10.0 110.189 179.44 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 231' ' ' ASN . . . . . 0.734 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 69.4 m-20 -71.45 -36.99 71.43 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.823 -0.626 . . . . 10.0 109.94 178.761 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 34.8 mt -62.21 -34.48 76.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.869 -0.605 . . . . 10.0 110.019 178.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -61.63 -39.17 90.33 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-N 116.014 -0.539 . . . . 10.0 110.083 178.379 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 234' ' ' LYS . . . . . 0.734 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 43.2 mttt -67.9 -34.43 76.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.981 -0.554 . . . . 10.0 109.51 179.03 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -71.62 -48.35 48.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.476 -0.783 . . . . 10.0 110.332 178.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 11.8 p -64.49 -41.13 96.64 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 109.803 -0.443 . . . . 10.0 109.803 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -63.33 -45.11 92.8 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 109.345 -0.613 . . . . 10.0 109.345 178.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -59.96 -45.84 95.17 Favored Glycine 0 N--CA 1.444 -0.831 0 N-CA-C 110.851 -0.9 . . . . 10.0 110.851 178.554 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 73.0 mt -66.02 -31.06 71.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.441 0.162 . . . . 10.0 111.033 179.162 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 240' ' ' ARG . . . . . 0.523 ' O ' ' HB3' ' A' ' 243' ' ' MET . 62.2 mtt180 -70.59 -36.91 73.81 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 109.153 -0.684 . . . . 10.0 109.153 178.649 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -73.27 -38.63 65.87 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.826 -0.805 . . . . 10.0 108.826 178.38 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -70.04 -19.12 63.31 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 115.604 -0.725 . . . . 10.0 110.049 178.372 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 243' ' ' MET . . . . . 0.755 ' HG3' HD12 ' A' ' 247' ' ' LEU . 33.4 ttm -62.83 -32.68 73.94 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.813 -0.81 . . . . 10.0 108.813 178.55 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -76.02 2.45 12.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.337 -0.847 . . . . 10.0 110.386 179.539 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 44.3 mttm -124.56 -61.15 1.35 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.94 -0.573 . . . . 10.0 109.923 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 246' ' ' ASP . . . . . 0.574 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 0.6 OUTLIER -57.27 -58.19 9.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.054 -0.521 . . . . 10.0 111.717 -179.524 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 247' ' ' LEU . . . . . 0.755 HD12 ' HG3' ' A' ' 243' ' ' MET . 82.9 mt -75.84 -43.45 45.82 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.168 0.432 . . . . 10.0 112.168 -179.137 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -59.14 -51.26 70.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.409 -0.359 . . . . 10.0 111.77 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -68.61 -32.79 72.93 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.95 0.352 . . . . 10.0 111.95 -179.509 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 250' ' ' VAL . . . . . 0.511 HG12 ' O ' ' A' ' 247' ' ' LEU . 1.8 p -68.56 -29.49 44.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 120.291 -0.564 . . . . 10.0 110.269 179.102 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 251' ' ' LYS . . . . . 0.48 ' HA ' ' HB ' ' A' ' 254' ' ' VAL . 90.0 mttt -83.98 -41.4 17.33 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.209 0.528 . . . . 10.0 109.848 178.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -62.95 -39.45 94.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.342 0.591 . . . . 10.0 109.695 178.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -87.79 -3.81 58.92 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.683 -0.69 . . . . 10.0 110.635 179.102 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 254' ' ' VAL . . . . . 0.48 ' HB ' ' HA ' ' A' ' 251' ' ' LYS . 0.3 OUTLIER -67.5 -31.66 53.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 109.872 -0.418 . . . . 10.0 109.872 179.634 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 255' ' ' GLN . . . . . 0.421 ' HB2' ' CD ' ' A' ' 256' ' ' PRO . 36.4 mt-30 -65.06 -62.53 4.64 Favored Pre-proline 0 N--CA 1.45 -0.451 0 CA-C-N 115.823 -0.626 . . . . 10.0 111.521 179.739 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 256' ' ' PRO . . . . . 0.421 ' CD ' ' HB2' ' A' ' 255' ' ' GLN . 13.4 Cg_endo -57.62 -35.68 98.76 Favored 'Trans proline' 0 C--N 1.357 0.977 0 C-N-CA 121.948 1.765 . . . . 10.0 112.447 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 4.6 m-30 -68.95 -53.63 19.77 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.864 0.364 . . . . 10.0 110.719 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 43.7 mt -65.03 -43.73 91.44 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-N 116.523 -0.308 . . . . 10.0 110.896 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 259' ' ' ASP . . . . . 0.465 ' O ' ' HB2' ' A' ' 263' ' ' LYS . 4.2 t70 -57.55 -45.56 84.98 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 123.529 0.518 . . . . 10.0 111.265 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -64.22 -51.71 62.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.29 -0.414 . . . . 10.0 111.053 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -66.05 -36.9 84.47 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 115.914 -0.584 . . . . 10.0 112.182 -179.594 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -69.51 -39.38 77.61 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.98 -0.378 . . . . 10.0 109.98 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 263' ' ' LYS . . . . . 0.473 ' HB2' ' HE3' ' A' ' 263' ' ' LYS . 15.2 ttmt -63.01 -45.04 94.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.868 -0.605 . . . . 10.0 109.37 178.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 264' ' ' LYS . . . . . 0.64 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 77.7 mttt -68.62 -41.09 79.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.587 -0.733 . . . . 10.0 110.245 178.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 1.9 m95 -59.75 -38.46 81.82 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.343 -0.614 . . . . 10.0 109.343 178.749 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -62.61 -45.83 91.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.837 -0.619 . . . . 10.0 109.589 178.516 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -64.48 -41.63 96.36 Favored 'General case' 0 C--O 1.232 0.146 0 N-CA-C 109.471 -0.566 . . . . 10.0 109.471 178.646 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 268' ' ' GLU . . . . . 0.544 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 16.3 mt-10 -59.14 -45.43 90.97 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.747 -0.66 . . . . 10.0 110.276 178.792 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 79.8 mmm -68.41 -43.77 76.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.789 -0.641 . . . . 10.0 110.588 179.437 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -60.48 -50.21 74.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.735 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 81.0 mt -61.47 -35.94 79.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.04 0.448 . . . . 10.0 110.237 179.157 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 272' ' ' TYR . . . . . 0.447 ' HD1' ' HA ' ' A' ' 272' ' ' TYR . 0.2 OUTLIER -67.52 -37.67 83.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.198 178.734 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 273' ' ' ARG . . . . . 0.534 ' HA ' HG12 ' A' ' 276' ' ' VAL . 97.8 mtt180 -75.55 -31.71 60.16 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.357 -0.383 . . . . 10.0 111.025 179.026 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -71.91 -21.34 61.64 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.304 -0.628 . . . . 10.0 109.304 178.448 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 275' ' ' LYS . . . . . 0.713 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 7.4 mptt -96.89 -37.44 10.22 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 115.656 -0.702 . . . . 10.0 110.924 179.13 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 276' ' ' VAL . . . . . 0.534 HG12 ' HA ' ' A' ' 273' ' ' ARG . 4.1 p -55.53 -33.61 33.06 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.236 0 N-CA-C 112.733 0.642 . . . . 10.0 112.733 -178.783 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 83.1 mt-10 -65.12 -62.37 4.84 Favored Pre-proline 0 CA--C 1.535 0.378 0 N-CA-C 111.632 0.234 . . . . 10.0 111.632 179.457 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -62.42 -35.39 72.49 Favored 'Trans proline' 0 C--N 1.354 0.831 0 C-N-CA 121.557 1.505 . . . . 10.0 111.839 178.385 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 279' ' ' LEU . . . . . 0.724 HD22 ' HE3' ' D' ' 495' ' ' LYS . 17.1 mt -65.46 -44.81 86.04 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.624 0.249 . . . . 10.0 110.455 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 33.9 ttm180 -65.0 -35.88 82.62 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.541 -0.54 . . . . 10.0 109.541 179.164 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -64.0 -44.93 91.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.997 -0.547 . . . . 10.0 109.721 178.691 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -65.23 -43.0 92.87 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.606 -0.516 . . . . 10.0 109.606 178.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 37.4 mt -63.55 -40.81 97.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.664 -0.698 . . . . 10.0 110.533 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -63.68 -53.0 58.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.737 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -63.73 -40.96 98.03 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.99 0.424 . . . . 10.0 110.373 179.598 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -63.49 -43.0 98.8 Favored Glycine 0 N--CA 1.446 -0.699 0 N-CA-C 110.71 -0.956 . . . . 10.0 110.71 178.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -64.67 -47.11 79.65 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.792 -0.447 . . . . 10.0 109.792 179.06 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 61.6 mtt180 -52.32 -47.04 66.22 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.941 179.221 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 5.1 tm0? -60.24 -51.0 71.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.852 179.56 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 42.1 mttt -67.15 -34.79 78.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.808 -0.633 . . . . 10.0 111.681 -178.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 80.6 mt -68.63 -43.07 77.1 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.013 -0.366 . . . . 10.0 110.013 179.254 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -66.8 -36.33 82.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.014 -0.539 . . . . 10.0 109.727 178.729 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.73 -39.41 94.0 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 109.063 -0.717 . . . . 10.0 109.063 178.29 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 63.3 mt -67.76 -43.28 80.22 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-N 115.705 -0.68 . . . . 10.0 110.275 179.07 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -61.56 -39.93 92.9 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.976 0.417 . . . . 10.0 110.477 179.391 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -64.12 -9.3 15.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.416 -0.811 . . . . 10.0 112.105 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 297' ' ' LYS . . . . . 0.554 ' O ' ' HB2' ' A' ' 301' ' ' LEU . 17.1 mmtp -116.94 -26.92 6.72 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.884 0.373 . . . . 10.0 109.999 178.365 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 298' ' ' LEU . . . . . 0.488 ' O ' ' HA3' ' A' ' 302' ' ' GLY . 28.4 mt -72.13 -30.87 65.47 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.175 -0.466 . . . . 10.0 111.557 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 299' ' ' SER . . . . . 0.442 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 6.6 m -77.67 -63.97 0.44 Allowed Pre-proline 0 C--N 1.323 -0.554 0 N-CA-C 112.68 0.622 . . . . 10.0 112.68 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 300' ' ' PRO . . . . . 0.442 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 18.9 Cg_endo -61.58 -51.99 3.57 Favored 'Trans proline' 0 C--N 1.356 0.939 0 C-N-CA 122.122 1.881 . . . . 10.0 112.425 -179.387 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 301' ' ' LEU . . . . . 0.722 ' HB3' ' HE3' ' D' ' 473' ' ' LYS . 81.1 mt -71.9 -20.77 61.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.944 0.402 . . . . 10.0 110.241 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 302' ' ' GLY . . . . . 0.488 ' HA3' ' O ' ' A' ' 298' ' ' LEU . . . -73.28 -53.02 8.0 Favored Glycine 0 N--CA 1.449 -0.462 0 N-CA-C 110.627 -0.989 . . . . 10.0 110.627 179.096 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 303' ' ' GLU . . . . . 0.466 ' HA ' ' HD2' ' A' ' 306' ' ' ARG . 2.7 mt-10 -64.03 -38.51 91.34 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.784 -0.45 . . . . 10.0 109.784 179.186 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.53 -44.14 95.09 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.452 -0.573 . . . . 10.0 109.452 178.405 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 305' ' ' MET . . . . . 0.427 ' SD ' HD13 ' D' ' 469' ' ' LEU . 9.9 tpt -64.56 -37.63 88.2 Favored 'General case' 0 C--O 1.226 -0.163 0 N-CA-C 109.23 -0.656 . . . . 10.0 109.23 178.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 306' ' ' ARG . . . . . 0.466 ' HD2' ' HA ' ' A' ' 303' ' ' GLU . 80.2 mtt180 -63.92 -41.4 97.66 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.971 -0.559 . . . . 10.0 109.56 178.762 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 307' ' ' ASP . . . . . 0.515 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 32.0 t70 -68.9 -36.92 78.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.942 -0.572 . . . . 10.0 109.901 179.235 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 308' ' ' ARG . . . . . 0.436 ' HG3' HD21 ' D' ' 469' ' ' LEU . 25.2 mmt180 -68.33 -33.79 74.94 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.013 -0.736 . . . . 10.0 109.013 177.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -64.99 -37.91 89.21 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.306 -0.998 . . . . 10.0 108.306 177.524 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 310' ' ' ARG . . . . . 0.515 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 79.0 mtt180 -60.83 -42.08 97.02 Favored 'General case' 0 C--O 1.223 -0.309 0 N-CA-C 108.55 -0.907 . . . . 10.0 108.55 177.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -67.53 -39.37 85.04 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.778 -0.646 . . . . 10.0 109.9 178.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -59.74 -52.32 66.0 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 108.983 -0.747 . . . . 10.0 108.983 178.504 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 91.0 t -67.2 -37.37 79.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.397 -0.82 . . . . 10.0 111.13 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -60.17 -45.4 93.21 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-O 120.937 0.398 . . . . 10.0 110.094 179.214 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -63.5 -39.77 95.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.864 -0.607 . . . . 10.0 109.738 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 74.8 mt -65.47 -51.03 63.0 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 115.715 -0.675 . . . . 10.0 110.069 178.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 19.1 ttm180 -57.72 -49.41 76.63 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.005 -0.543 . . . . 10.0 111.077 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 16.7 m -64.4 -31.21 72.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.225 -0.443 . . . . 10.0 111.652 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 319' ' ' HIS . . . . . 0.426 ' O ' ' HD2' ' A' ' 322' ' ' PRO . 0.4 OUTLIER -83.08 -41.36 18.69 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.957 -0.297 . . . . 10.0 111.44 179.793 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 320' ' ' LEU . . . . . 0.484 ' HA ' ' HB2' ' A' ' 323' ' ' TYR . 85.3 mt -71.7 -18.27 62.17 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.607 -0.27 . . . . 10.0 111.572 -179.78 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 321' ' ' ALA . . . . . 0.495 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -55.85 -58.87 13.54 Favored Pre-proline 0 CA--C 1.538 0.489 0 N-CA-C 112.017 0.376 . . . . 10.0 112.017 179.758 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 322' ' ' PRO . . . . . 0.495 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 59.8 Cg_endo -76.34 -27.72 7.67 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 121.499 1.466 . . . . 10.0 110.869 178.218 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 323' ' ' TYR . . . . . 0.484 ' HB2' ' HA ' ' A' ' 320' ' ' LEU . 10.5 m-30 -63.12 -42.16 99.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.18 -0.464 . . . . 10.0 111.674 -179.663 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 324' ' ' SER . . . . . 0.497 ' O ' ' HG3' ' A' ' 328' ' ' ARG . 5.7 p -64.59 -38.08 89.79 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.039 -0.356 . . . . 10.0 110.039 179.572 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -67.17 -46.53 73.71 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 115.838 -0.619 . . . . 10.0 109.399 178.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.8 -34.9 76.73 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.013 178.789 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 22.8 mt -65.54 -37.47 86.82 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.36 -0.607 . . . . 10.0 109.36 177.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 328' ' ' ARG . . . . . 0.497 ' HG3' ' O ' ' A' ' 324' ' ' SER . 66.1 mtt180 -65.83 -38.12 88.04 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 108.856 -0.794 . . . . 10.0 108.856 178.092 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -63.26 -42.28 99.14 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 108.933 -0.766 . . . . 10.0 108.933 178.355 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 330' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 330' ' ' ARG . 50.1 mtt-85 -64.23 -49.11 73.25 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-N 115.575 -0.738 . . . . 10.0 109.714 178.853 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 72.3 mt -58.18 -44.39 87.98 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.758 -0.655 . . . . 10.0 110.312 179.365 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -60.69 -50.19 74.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.482 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -60.99 -42.93 99.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.686 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 72.5 mtt-85 -65.63 -48.39 72.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.192 -0.458 . . . . 10.0 111.086 179.388 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 49.7 mt -61.65 -39.98 93.26 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.288 -0.414 . . . . 10.0 110.921 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -67.95 -44.56 76.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.567 -0.288 . . . . 10.0 110.828 179.488 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -63.64 -46.98 83.2 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.905 -0.406 . . . . 10.0 109.905 179.409 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 75.2 mt -69.64 -16.38 63.36 Favored 'General case' 0 C--O 1.225 -0.235 0 CA-C-N 115.93 -0.577 . . . . 10.0 111.806 179.427 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 13.4 tttt -75.99 -45.1 36.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.276 0.56 . . . . 10.0 109.726 178.771 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -71.46 -44.58 64.51 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.551 -0.907 . . . . 10.0 108.551 178.477 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 341' ' ' ASN . . . . . 0.449 ' O ' ' HG3' ' A' ' 345' ' ' ARG . 18.4 t-20 -62.75 -52.01 64.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 114.935 -1.03 . . . . 10.0 109.705 179.301 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -62.45 -40.02 98.55 Favored Glycine 0 N--CA 1.449 -0.474 0 CA-C-N 115.795 -0.639 . . . . 10.0 111.886 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -61.53 -39.7 97.7 Favored Glycine 0 N--CA 1.453 -0.212 0 N-CA-C 111.003 -0.839 . . . . 10.0 111.003 179.109 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -70.63 -41.37 72.28 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.486 -0.561 . . . . 10.0 109.486 178.556 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 345' ' ' ARG . . . . . 0.449 ' HG3' ' O ' ' A' ' 341' ' ' ASN . 52.5 mtm180 -62.42 -41.18 98.5 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.611 -0.722 . . . . 10.0 110.223 179.193 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 80.5 mt -63.15 -43.39 98.45 Favored 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 109.872 -0.418 . . . . 10.0 109.872 178.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.15 -40.89 91.41 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 109.372 -0.603 . . . . 10.0 109.372 178.703 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 348' ' ' GLU . . . . . 0.45 ' HB3' ' HE2' ' A' ' 352' ' ' LYS . 15.8 mt-10 -69.61 -41.55 75.55 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.588 -0.733 . . . . 10.0 109.919 178.412 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -59.76 -40.76 89.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.403 179.425 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 28.8 m-70 -64.25 -41.23 97.05 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.676 -0.49 . . . . 10.0 109.676 178.689 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -65.16 -47.15 78.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.741 -0.663 . . . . 10.0 109.857 178.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 352' ' ' LYS . . . . . 0.45 ' HE2' ' HB3' ' A' ' 348' ' ' GLU . 24.8 mttm -61.15 -42.4 98.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.952 -0.567 . . . . 10.0 109.951 178.828 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.38 -39.16 82.44 Favored 'General case' 0 C--O 1.224 -0.282 0 N-CA-C 109.493 -0.558 . . . . 10.0 109.493 178.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 27.3 m -63.97 -43.2 96.49 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.962 -0.563 . . . . 10.0 109.981 178.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -65.89 -38.88 89.91 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.004 0.43 . . . . 10.0 110.345 178.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 36.4 m-70 -68.69 -28.68 67.07 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.849 -0.614 . . . . 10.0 109.906 178.508 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 40.0 mt -77.04 -43.93 32.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.96 -0.564 . . . . 10.0 111.285 179.525 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -61.48 -37.89 85.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.027 0.441 . . . . 10.0 110.428 179.672 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 4.0 p -77.24 -28.04 53.53 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.175 0.512 . . . . 10.0 110.048 178.814 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 60.3 tp -69.35 -31.37 69.75 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.733 -0.667 . . . . 10.0 109.202 178.257 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 32.8 m -61.22 -32.18 71.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.031 178.487 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 362' ' ' GLU . . . . . 0.506 ' HA ' ' HD2' ' A' ' 366' ' ' PRO . 28.0 mm-40 -69.36 -25.74 64.33 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.75 -0.659 . . . . 10.0 109.97 178.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 363' ' ' LYS . . . . . 0.746 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 88.2 mttt -86.69 -40.54 14.98 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.064 -0.516 . . . . 10.0 109.624 178.608 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -70.93 -27.99 64.18 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.684 -0.689 . . . . 10.0 112.607 -178.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 365' ' ' LYS . . . . . 1.051 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 21.7 mttt -110.78 -78.53 0.01 OUTLIER Pre-proline 0 CA--C 1.54 0.572 0 N-CA-C 113.223 0.823 . . . . 10.0 113.223 -179.573 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 366' ' ' PRO . . . . . 1.051 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 52.3 Cg_exo -55.92 -54.14 4.52 Favored 'Trans proline' 0 C--N 1.36 1.16 0 C-N-CA 122.525 2.15 . . . . 10.0 113.512 -178.755 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 367' ' ' ALA . . . . . 0.746 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -60.63 -52.19 66.2 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.44 0.162 . . . . 10.0 111.231 -179.715 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 2.5 mt -59.3 -36.39 75.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.385 -0.37 . . . . 10.0 111.412 179.617 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -69.7 -43.42 72.46 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.303 -0.258 . . . . 10.0 110.303 179.288 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -62.46 -40.92 98.18 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 108.854 -0.795 . . . . 10.0 108.854 178.724 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 371' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 367' ' ' ALA . 95.9 mt -65.62 -46.58 78.72 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-N 115.42 -0.809 . . . . 10.0 109.92 178.726 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 372' ' ' ARG . . . . . 0.599 ' O ' ' HG ' ' A' ' 376' ' ' LEU . 43.6 mtt180 -61.65 -49.37 76.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.762 179.478 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -64.81 -25.51 67.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.038 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -85.71 -32.76 17.72 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.869 -0.682 . . . . 10.0 111.433 179.149 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 60.6 mt -74.81 -28.42 60.7 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 122.034 0.134 . . . . 10.0 111.154 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 376' ' ' LEU . . . . . 0.599 ' HG ' ' O ' ' A' ' 372' ' ' ARG . 90.0 mt -50.85 -59.95 6.48 Favored Pre-proline 0 CA--C 1.535 0.388 0 O-C-N 123.178 0.299 . . . . 10.0 111.727 179.44 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -64.78 -25.71 60.62 Favored 'Trans proline' 0 C--N 1.359 1.116 0 C-N-CA 121.909 1.739 . . . . 10.0 111.433 179.022 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 41.6 t -68.32 -42.16 84.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 N-CA-C 109.229 -0.656 . . . . 10.0 109.229 178.796 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 94.8 mt -66.85 -34.9 78.81 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.993 -0.548 . . . . 10.0 109.65 178.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 380' ' ' GLU . . . . . 0.468 ' HG3' ' O ' ' A' ' 376' ' ' LEU . 7.6 mt-10 -69.07 -46.47 67.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.593 179.032 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 2.4 p -64.85 -36.06 83.12 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.387 -0.597 . . . . 10.0 109.387 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 382' ' ' PHE . . . . . 0.41 ' O ' ' HD1' ' A' ' 386' ' ' PHE . 0.6 OUTLIER -64.92 -37.19 86.8 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 115.674 -0.694 . . . . 10.0 109.981 178.261 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -58.27 -42.44 86.53 Favored 'General case' 0 C--O 1.231 0.122 0 N-CA-C 109.462 -0.569 . . . . 10.0 109.462 178.441 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 47.6 t -63.24 -38.43 82.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.746 -0.661 . . . . 10.0 109.854 178.785 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 5.9 m -70.15 -42.69 72.21 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.844 179.603 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 386' ' ' PHE . . . . . 0.41 ' HD1' ' O ' ' A' ' 382' ' ' PHE . 20.2 m-85 -66.27 -48.01 71.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.787 -179.583 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 92.6 mt -59.47 -43.38 93.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.344 -0.389 . . . . 10.0 111.328 -179.573 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 388' ' ' SER . . . . . 0.831 ' HB2' ' HE3' ' D' ' 594' ' ' LYS . 15.0 p -68.84 -41.46 78.47 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 116.578 -0.283 . . . . 10.0 110.768 179.77 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -61.11 -44.84 96.73 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.45 -0.341 . . . . 10.0 110.85 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 82.2 mt -62.31 -38.35 89.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.127 179.424 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -65.76 -41.37 92.18 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.723 -0.671 . . . . 10.0 109.855 178.562 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 392' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' A' ' 388' ' ' SER . 62.8 mm-40 -56.72 -47.0 80.95 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.132 0.491 . . . . 10.0 109.935 178.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -60.63 -47.5 85.95 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.604 -0.725 . . . . 10.0 110.642 179.352 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 394' ' ' THR . . . . . 0.547 ' O ' ' HB3' ' A' ' 398' ' ' ASN . 3.6 m -68.85 -21.4 64.28 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.805 -0.634 . . . . 10.0 112.285 -178.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -88.52 -38.29 15.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 122.213 -0.304 . . . . 10.0 111.563 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 396' ' ' LYS . . . . . 0.739 ' HE2' ' HA ' ' D' ' 587' ' ' ALA . 13.9 mptt -90.74 -32.3 16.2 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 113.546 0.943 . . . . 10.0 113.546 -178.092 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 85.7 mt -110.1 43.46 1.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.511 0.56 . . . . 10.0 112.511 -178.119 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 398' ' ' ASN . . . . . 0.547 ' HB3' ' O ' ' A' ' 394' ' ' THR . 49.6 t30 . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 116.575 -0.284 . . . . 10.0 110.698 179.236 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 399' ' ' LEU . . . . . 0.44 HD13 ' HA ' ' D' ' 399' ' ' LEU . 3.4 mm? . . . . . 0 N--CA 1.455 -0.18 0 CA-C-O 121.256 0.55 . . . . 10.0 110.333 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.07 22.28 16.23 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.587 -0.733 . . . . 10.0 109.831 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 59.7 mt -66.57 -17.28 64.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.655 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 72.9 mt -69.95 -30.7 68.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.824 -0.625 . . . . 10.0 109.54 178.482 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 403' ' ' ASP . . . . . 0.498 ' O ' ' HB3' ' D' ' 406' ' ' ASP . 58.1 m-20 -81.31 -41.88 21.45 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.693 -0.685 . . . . 10.0 109.562 179.252 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -63.22 -45.62 90.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.527 -0.76 . . . . 10.0 110.043 179.495 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -67.04 -28.19 68.02 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.149 0.5 . . . . 10.0 110.057 179.037 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 406' ' ' ASP . . . . . 0.498 ' HB3' ' O ' ' D' ' 403' ' ' ASP . 1.6 t70 -61.19 -44.34 97.45 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.788 -0.642 . . . . 10.0 109.356 178.468 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 1.3 m -62.9 -37.09 85.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.723 -0.671 . . . . 10.0 109.667 179.024 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 52.7 t -65.92 -34.49 70.63 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-N 115.442 -0.799 . . . . 10.0 109.331 178.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 17.7 m -68.41 -42.79 78.47 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.643 -0.708 . . . . 10.0 109.563 178.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 1.6 m -63.12 -44.79 94.66 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.008 -0.542 . . . . 10.0 110.34 179.275 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 411' ' ' THR . . . . . 0.617 ' O ' ' HG ' ' D' ' 415' ' ' LEU . 0.8 OUTLIER -64.48 -37.42 87.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.766 179.411 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -58.93 -46.79 87.11 Favored 'General case' 0 C--O 1.232 0.159 0 N-CA-C 109.682 -0.488 . . . . 10.0 109.682 178.11 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 8.0 m -65.52 -37.81 87.85 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.812 -0.631 . . . . 10.0 109.578 178.761 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 414' ' ' LYS . . . . . 0.479 ' HE3' ' HG3' ' A' ' 362' ' ' GLU . 29.6 mmtt -62.41 -37.44 85.84 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-O 121.233 0.539 . . . . 10.0 110.056 178.762 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 415' ' ' LEU . . . . . 0.617 ' HG ' ' O ' ' D' ' 411' ' ' THR . 92.7 mt -67.54 -37.25 82.45 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 109.232 -0.655 . . . . 10.0 109.232 178.684 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -68.44 -34.45 76.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.104 178.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -66.2 -22.35 66.34 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 115.779 -0.646 . . . . 10.0 109.815 178.703 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -90.94 -57.02 2.95 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.345 -0.843 . . . . 10.0 108.736 178.101 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 36.7 mt -43.5 -52.6 6.04 Favored 'General case' 0 C--O 1.222 -0.344 0 O-C-N 123.819 0.699 . . . . 10.0 112.611 -179.385 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -50.63 -78.05 0.11 Allowed Glycine 0 CA--C 1.524 0.607 0 C-N-CA 121.275 -0.488 . . . . 10.0 113.015 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -54.4 -40.18 84.2 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 123.134 2.556 . . . . 10.0 112.895 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 41.3 t -62.68 -49.39 83.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 112.405 0.52 . . . . 10.0 112.405 -179.146 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 26.0 p -61.94 -31.62 71.97 Favored 'General case' 0 C--N 1.333 -0.124 0 C-N-CA 120.581 -0.448 . . . . 10.0 111.237 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -59.43 -56.45 21.9 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.896 0.379 . . . . 10.0 110.217 179.302 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -74.08 -29.42 61.87 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.2 -0.455 . . . . 10.0 111.537 179.557 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 426' ' ' PHE . . . . . 0.482 ' O ' ' HG ' ' D' ' 430' ' ' LEU . 60.2 t80 -63.96 -41.13 97.66 Favored 'General case' 0 CA--C 1.52 -0.195 0 N-CA-C 109.371 -0.603 . . . . 10.0 109.371 178.763 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 427' ' ' TRP . . . . . 0.423 ' HA ' HD12 ' D' ' 430' ' ' LEU . 5.8 m95 -68.12 -37.44 81.12 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.843 -0.617 . . . . 10.0 109.614 178.631 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 428' ' ' ASP . . . . . 0.425 ' O ' ' HG3' ' D' ' 432' ' ' LYS . 27.8 t70 -67.57 -33.56 75.28 Favored 'General case' 0 C--N 1.334 -0.097 0 N-CA-C 108.744 -0.836 . . . . 10.0 108.744 177.841 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -64.26 -40.38 95.88 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.116 -1.068 . . . . 10.0 108.116 177.211 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 430' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' D' ' 426' ' ' PHE . 94.4 mt -62.73 -36.39 82.84 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.454 -0.794 . . . . 10.0 108.956 178.418 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -65.28 -40.94 94.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.002 -0.545 . . . . 10.0 109.808 178.399 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 432' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' D' ' 428' ' ' ASP . 57.2 mttp -63.31 -45.58 90.69 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.833 -0.803 . . . . 10.0 108.833 178.541 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 433' ' ' GLU . . . . . 0.493 ' O ' ' HG ' ' D' ' 437' ' ' LEU . 74.2 mt-10 -63.91 -51.2 65.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.547 -0.752 . . . . 10.0 111.716 179.447 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 434' ' ' THR . . . . . 0.41 ' HB ' ' CZ ' ' D' ' 438' ' ' ARG . 2.8 p -57.17 -47.69 80.59 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.659 0.244 . . . . 10.0 111.659 -179.437 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -64.83 -43.44 93.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.714 0.292 . . . . 10.0 110.9 179.648 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -62.72 -50.6 62.61 Favored Glycine 0 N--CA 1.45 -0.389 0 N-CA-C 111.031 -0.828 . . . . 10.0 111.031 179.088 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 437' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' D' ' 433' ' ' GLU . 89.6 mt -61.43 -30.42 70.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.788 0.328 . . . . 10.0 110.427 179.262 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 438' ' ' ARG . . . . . 0.41 ' CZ ' ' HB ' ' D' ' 434' ' ' THR . 24.9 mtt180 -67.2 -40.29 86.45 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-N 116.339 -0.391 . . . . 10.0 110.278 178.801 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -63.03 -39.23 94.14 Favored 'General case' 0 CA--C 1.522 -0.13 0 N-CA-C 109.31 -0.626 . . . . 10.0 109.31 178.71 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 440' ' ' GLU . . . . . 0.566 ' O ' ' HB2' ' D' ' 444' ' ' ASP . 50.3 mt-10 -71.43 -42.03 68.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.349 -0.841 . . . . 10.0 110.568 179.039 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 34.6 mmm -72.05 -38.88 69.41 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 113.385 0.883 . . . . 10.0 113.385 -179.052 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 9.4 p -63.01 -46.28 88.38 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.924 0.393 . . . . 10.0 109.954 179.632 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.2 -24.75 63.17 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.925 -0.58 . . . . 10.0 109.915 178.719 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 444' ' ' ASP . . . . . 0.566 ' HB2' ' O ' ' D' ' 440' ' ' GLU . 5.3 t70 -75.94 -58.63 3.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.58 179.74 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 445' ' ' LEU . . . . . 0.49 ' HA ' ' HB ' ' D' ' 448' ' ' VAL . 75.7 mt -63.26 -43.24 98.53 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 112.838 0.681 . . . . 10.0 112.838 -178.501 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -61.25 -40.77 95.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.072 0.463 . . . . 10.0 110.919 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 447' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -77.09 -24.55 51.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.635 -0.711 . . . . 10.0 109.582 178.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 448' ' ' VAL . . . . . 0.49 ' HB ' ' HA ' ' D' ' 445' ' ' LEU . 1.4 t -67.04 -36.0 75.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 N-CA-C 109.238 -0.653 . . . . 10.0 109.238 178.35 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.01 -26.79 69.02 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.429 -0.952 . . . . 10.0 108.429 177.549 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -100.01 20.6 14.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.204 -0.907 . . . . 10.0 109.804 178.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 451' ' ' LYS . . . . . 0.474 ' HE3' ' CD1' ' A' ' 323' ' ' TYR . 32.5 mmtm -128.03 -49.92 1.33 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.723 -0.671 . . . . 10.0 110.058 179.581 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 452' ' ' VAL . . . . . 0.444 HG23 HG13 ' D' ' 448' ' ' VAL . 61.8 t -64.49 -42.78 96.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.014 -0.539 . . . . 10.0 111.028 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -60.63 -57.63 25.13 Favored Pre-proline 0 CA--C 1.537 0.459 0 N-CA-C 112.567 0.58 . . . . 10.0 112.567 -179.535 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -63.06 -34.51 69.72 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 121.898 1.732 . . . . 10.0 111.638 179.254 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -70.03 -36.51 75.11 Favored 'General case' 0 C--O 1.224 -0.25 0 N-CA-C 109.978 -0.379 . . . . 10.0 109.978 178.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 2.0 mt -63.17 -43.18 98.97 Favored 'General case' 0 C--O 1.221 -0.427 0 N-CA-C 109.182 -0.673 . . . . 10.0 109.182 178.365 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -64.81 -43.81 91.92 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.286 -0.635 . . . . 10.0 109.286 178.632 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 458' ' ' ASP . . . . . 0.407 ' HB2' ' CE1' ' A' ' 319' ' ' HIS . 16.4 t70 -61.07 -45.55 94.29 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 115.372 -0.831 . . . . 10.0 110.618 179.37 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 459' ' ' PHE . . . . . 0.469 ' HD2' ' HA ' ' D' ' 459' ' ' PHE . 0.0 OUTLIER -69.05 -44.74 72.03 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.564 -0.743 . . . . 10.0 110.311 179.362 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -58.94 -39.27 81.11 Favored 'General case' 0 C--O 1.224 -0.237 0 CA-C-N 116.484 -0.325 . . . . 10.0 110.426 179.204 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 461' ' ' LYS . . . . . 0.439 ' O ' ' HG3' ' D' ' 465' ' ' GLU . 64.4 mttt -61.99 -44.65 96.28 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 110.028 -0.36 . . . . 10.0 110.028 178.617 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 21.6 mtmm -68.15 -36.99 80.55 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.573 -0.529 . . . . 10.0 109.573 179.048 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 35.6 m0 -64.06 -40.86 97.2 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 108.727 -0.842 . . . . 10.0 108.727 177.768 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -61.32 -48.44 81.35 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-N 115.476 -0.784 . . . . 10.0 109.027 178.074 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 465' ' ' GLU . . . . . 0.663 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 48.1 mt-10 -55.87 -57.03 13.78 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.47 -0.787 . . . . 10.0 109.481 179.042 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.22 -44.8 79.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.278 -0.419 . . . . 10.0 111.474 -179.632 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 61.1 mtm -62.97 -46.61 86.91 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.687 -0.233 . . . . 10.0 111.181 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -64.73 -37.46 87.67 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-O 121.02 0.438 . . . . 10.0 110.175 178.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 469' ' ' LEU . . . . . 0.663 ' HG ' ' O ' ' D' ' 465' ' ' GLU . 87.3 mt -64.48 -39.65 94.21 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 115.685 -0.689 . . . . 10.0 109.176 178.413 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 13.2 m-30 -65.51 -34.09 77.45 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 109.517 -0.549 . . . . 10.0 109.517 178.433 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 471' ' ' ARG . . . . . 0.967 ' HA ' ' HG3' ' D' ' 475' ' ' GLU . 75.7 mtt180 -69.76 -19.02 63.54 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.495 178.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -108.31 -1.6 19.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.968 -0.56 . . . . 10.0 110.666 179.67 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 473' ' ' LYS . . . . . 0.722 ' HE3' ' HB3' ' A' ' 301' ' ' LEU . 60.4 mttp -123.46 -70.98 0.74 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.403 -0.362 . . . . 10.0 110.785 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 474' ' ' VAL . . . . . 0.512 ' O ' ' HB2' ' D' ' 478' ' ' ARG . 60.8 t -57.23 -39.67 68.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.508 -0.314 . . . . 10.0 111.753 -179.579 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 475' ' ' GLU . . . . . 0.967 ' HG3' ' HA ' ' D' ' 471' ' ' ARG . 2.0 mm-40 -61.64 -60.23 11.0 Favored Pre-proline 0 CA--C 1.536 0.434 0 N-CA-C 112.798 0.666 . . . . 10.0 112.798 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -65.21 -36.45 36.43 Favored 'Trans proline' 0 C--N 1.355 0.878 0 C-N-CA 121.654 1.57 . . . . 10.0 111.547 178.649 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 29.6 mt -66.83 -28.45 68.37 Favored 'General case' 0 C--O 1.223 -0.303 0 CA-C-O 120.696 0.284 . . . . 10.0 110.253 178.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 478' ' ' ARG . . . . . 0.512 ' HB2' ' O ' ' D' ' 474' ' ' VAL . 11.5 ttt180 -62.52 -40.21 96.01 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.521 -0.918 . . . . 10.0 108.521 178.504 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 479' ' ' ALA . . . . . 0.441 ' HA ' ' OE1' ' D' ' 482' ' ' GLN . . . -71.66 -37.8 70.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.304 -0.862 . . . . 10.0 109.674 178.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.27 -42.94 92.71 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.371 -0.603 . . . . 10.0 109.371 179.042 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 55.7 mt -70.98 -27.5 63.75 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.592 -0.731 . . . . 10.0 109.76 178.43 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 482' ' ' GLN . . . . . 0.441 ' OE1' ' HA ' ' D' ' 479' ' ' ALA . 37.4 mt-30 -68.79 -47.09 67.0 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 108.725 -0.843 . . . . 10.0 108.725 177.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.6 -40.8 93.06 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.14 -0.689 . . . . 10.0 109.14 178.433 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -63.44 -38.85 97.01 Favored Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 110.571 -1.012 . . . . 10.0 110.571 178.18 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -68.05 -45.27 74.34 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 109.557 -0.534 . . . . 10.0 109.557 178.593 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 60.3 mtt85 -59.95 -42.25 93.65 Favored 'General case' 0 CA--C 1.515 -0.375 0 N-CA-C 109.829 -0.434 . . . . 10.0 109.829 178.673 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -46.54 88.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.711 -0.677 . . . . 10.0 109.345 178.243 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 16.1 tptm -63.04 -41.03 99.41 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.796 -0.638 . . . . 10.0 109.942 179.113 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 70.4 mt -64.91 -39.67 93.89 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.025 179.097 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 42.8 t60 -64.77 -45.65 85.47 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.99 -0.744 . . . . 10.0 108.99 178.121 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 -56.23 -42.2 76.93 Favored 'General case' 0 N--CA 1.457 -0.123 0 N-CA-C 108.45 -0.944 . . . . 10.0 108.45 178.054 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 50.4 mt -67.12 -42.64 84.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.281 -0.872 . . . . 10.0 110.961 179.304 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -57.55 -44.25 85.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.013 0.435 . . . . 10.0 110.87 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -73.24 7.95 1.94 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.855 -0.611 . . . . 10.0 111.712 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 495' ' ' LYS . . . . . 0.724 ' HE3' HD22 ' A' ' 279' ' ' LEU . 24.7 mttp -125.21 -44.33 1.89 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.144 0.497 . . . . 10.0 109.748 178.624 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 496' ' ' LEU . . . . . 0.559 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 95.4 mt -62.57 -26.49 68.61 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.677 -0.692 . . . . 10.0 111.834 -179.692 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 497' ' ' SER . . . . . 0.455 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 6.5 m -83.46 -62.59 0.28 Allowed Pre-proline 0 C--N 1.321 -0.658 0 C-N-CA 120.751 -0.379 . . . . 10.0 111.953 179.082 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 498' ' ' PRO . . . . . 0.455 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 21.7 Cg_endo -63.07 -48.65 6.07 Favored 'Trans proline' 0 C--N 1.358 1.054 0 C-N-CA 121.783 1.655 . . . . 10.0 112.116 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 499' ' ' LEU . . . . . 0.552 ' HB2' ' O ' ' D' ' 495' ' ' LYS . 42.7 mt -76.19 -27.02 56.73 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.853 0.359 . . . . 10.0 110.234 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 500' ' ' GLY . . . . . 0.559 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -67.19 -50.64 44.04 Favored Glycine 0 N--CA 1.446 -0.653 0 N-CA-C 110.083 -1.207 . . . . 10.0 110.083 178.492 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -66.6 -28.51 68.56 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 109.351 -0.611 . . . . 10.0 109.351 178.388 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 502' ' ' GLU . . . . . 0.418 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 30.6 tt0 -69.04 -45.54 70.19 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 109.235 -0.654 . . . . 10.0 109.235 178.451 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 503' ' ' MET . . . . . 0.51 ' HA ' ' HD2' ' D' ' 506' ' ' ARG . 83.8 mmm -61.05 -38.47 86.28 Favored 'General case' 0 CA--C 1.519 -0.228 0 N-CA-C 109.853 -0.425 . . . . 10.0 109.853 179.07 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 504' ' ' ARG . . . . . 0.408 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 92.5 mtt180 -69.05 -37.27 78.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.77 -0.65 . . . . 10.0 109.844 178.686 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -69.85 -36.19 75.34 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 109.462 -0.57 . . . . 10.0 109.462 178.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 506' ' ' ARG . . . . . 0.544 ' HD3' ' OE1' ' A' ' 268' ' ' GLU . 47.7 mtt180 -64.35 -41.69 96.62 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 107.327 -1.36 . . . . 10.0 107.327 177.019 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -60.5 -38.75 85.35 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.064 -0.971 . . . . 10.0 109.403 178.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 508' ' ' ARG . . . . . 0.408 ' HG3' ' O ' ' D' ' 504' ' ' ARG . 62.3 mtt180 -60.6 -47.61 85.44 Favored 'General case' 0 C--O 1.22 -0.457 0 N-CA-C 109.011 -0.737 . . . . 10.0 109.011 178.283 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 509' ' ' ALA . . . . . 0.64 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -65.78 -32.94 74.76 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.085 179.645 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 510' ' ' HIS . . . . . 0.421 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 4.1 m-70 -69.19 -55.53 10.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.939 -0.573 . . . . 10.0 109.601 178.77 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 511' ' ' VAL . . . . . 0.494 ' O ' ' HG3' ' D' ' 515' ' ' ARG . 58.3 t -64.31 -39.47 85.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.745 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -56.93 -43.99 82.02 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 109.477 -0.564 . . . . 10.0 109.477 178.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -61.64 -48.71 79.64 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.384 -0.826 . . . . 10.0 108.948 178.503 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 514' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' D' ' 510' ' ' HIS . 91.8 mt -58.43 -33.57 69.84 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.578 -0.737 . . . . 10.0 111.206 179.49 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 515' ' ' ARG . . . . . 0.494 ' HG3' ' O ' ' D' ' 511' ' ' VAL . 28.3 mtt180 -63.81 -28.37 69.81 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.82 0.343 . . . . 10.0 110.157 178.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.25 6.94 22.94 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.834 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 517' ' ' HIS . . . . . 0.402 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 32.6 m170 -117.72 -56.66 2.18 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.271 -0.422 . . . . 10.0 111.001 -179.585 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 79.8 mt -73.93 -51.68 15.3 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.121 -0.491 . . . . 10.0 111.624 -179.063 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 519' ' ' ALA . . . . . 0.68 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -50.46 -57.37 13.31 Favored Pre-proline 0 N--CA 1.466 0.344 0 N-CA-C 112.958 0.725 . . . . 10.0 112.958 -179.21 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 520' ' ' PRO . . . . . 0.68 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 43.0 Cg_exo -60.82 -41.21 47.61 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 121.988 1.792 . . . . 10.0 111.312 179.037 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -64.6 -42.76 95.35 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.297 -0.41 . . . . 10.0 111.492 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 522' ' ' SER . . . . . 0.413 ' HA ' HD12 ' D' ' 525' ' ' LEU . 7.3 p -63.98 -28.82 70.07 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.829 0.347 . . . . 10.0 110.82 179.327 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -70.21 -41.9 73.03 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 108.821 -0.807 . . . . 10.0 108.821 178.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -71.1 -31.43 67.78 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.243 -0.89 . . . . 10.0 109.132 178.33 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 525' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' D' ' 522' ' ' SER . 23.1 mt -63.08 -36.0 82.12 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 108.844 -0.799 . . . . 10.0 108.844 177.854 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 526' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' D' ' 526' ' ' ARG . 61.4 mtt85 -63.82 -37.82 88.81 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.537 -0.542 . . . . 10.0 109.537 178.672 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -65.19 -41.62 94.38 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.305 -0.628 . . . . 10.0 109.305 178.796 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 528' ' ' ARG . . . . . 0.574 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 92.5 mtt180 -67.49 -45.56 75.51 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.394 -0.821 . . . . 10.0 109.588 179.144 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 74.0 mt -63.26 -34.86 78.6 Favored 'General case' 0 C--O 1.219 -0.502 0 CA-C-N 115.713 -0.676 . . . . 10.0 110.147 179.102 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -64.19 -42.76 96.53 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 116.393 -0.367 . . . . 10.0 110.209 178.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -68.66 -38.35 80.35 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.407 -0.59 . . . . 10.0 109.407 178.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 532' ' ' ARG . . . . . 0.41 ' O ' ' HG ' ' D' ' 536' ' ' LEU . 7.4 ttm180 -65.93 -44.79 84.07 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.601 -0.727 . . . . 10.0 109.425 178.739 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 36.4 mt -66.04 -33.57 76.11 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 115.648 -0.705 . . . . 10.0 109.548 178.742 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -60.82 -44.72 96.54 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 108.505 -0.924 . . . . 10.0 108.505 178.398 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -70.42 -34.6 72.69 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.526 -0.761 . . . . 10.0 109.414 178.588 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 536' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' D' ' 532' ' ' ARG . 73.5 mt -68.44 -30.12 68.93 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.246 -0.433 . . . . 10.0 111.321 179.52 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -82.42 -35.88 27.18 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.194 -0.669 . . . . 10.0 109.194 178.593 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -68.0 -53.03 29.0 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.018 -0.734 . . . . 10.0 109.018 178.408 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -67.0 -34.25 77.34 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.462 -0.79 . . . . 10.0 109.279 178.669 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 540' ' ' GLY . . . . . 0.434 ' O ' ' HG ' ' D' ' 544' ' ' LEU . . . -63.16 -53.63 38.62 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 111.46 -0.656 . . . . 10.0 111.46 179.392 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 541' ' ' GLY . . . . . 0.6 ' HA2' HD12 ' D' ' 544' ' ' LEU . . . -58.81 -40.7 95.42 Favored Glycine 0 N--CA 1.451 -0.309 0 N-CA-C 111.211 -0.755 . . . . 10.0 111.211 178.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -63.85 -49.0 74.5 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 109.365 -0.605 . . . . 10.0 109.365 178.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 543' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' D' ' 543' ' ' ARG . 60.1 mtt85 -63.54 -31.14 72.22 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-N 115.998 -0.546 . . . . 10.0 111.3 179.622 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 544' ' ' LEU . . . . . 0.6 HD12 ' HA2' ' D' ' 541' ' ' GLY . 65.3 mt -62.82 -44.51 95.96 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.082 -0.711 . . . . 10.0 109.082 178.252 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -66.99 -41.3 87.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.731 -0.668 . . . . 10.0 109.984 178.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 546' ' ' GLU . . . . . 0.485 ' HG2' ' HG2' ' A' ' 227' ' ' GLU . 46.8 mt-10 -64.15 -47.35 80.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.598 178.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -58.86 -47.9 83.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.145 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -64.59 -41.54 96.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.102 -0.499 . . . . 10.0 111.183 179.685 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -61.09 -54.5 43.86 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.033 0.444 . . . . 10.0 110.067 179.17 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 550' ' ' LYS . . . . . 0.472 ' HD2' ' O ' ' D' ' 546' ' ' GLU . 0.0 OUTLIER -63.6 -30.61 71.7 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 116.086 -0.506 . . . . 10.0 110.621 179.76 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -68.98 -37.28 78.68 Favored 'General case' 0 CA--C 1.519 -0.243 0 N-CA-C 109.688 -0.486 . . . . 10.0 109.688 178.653 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 24.6 m -67.37 -45.52 76.03 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.982 -0.748 . . . . 10.0 108.982 178.477 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 553' ' ' GLU . . . . . 0.469 ' OE1' ' HE2' ' D' ' 550' ' ' LYS . 37.1 mt-10 -62.62 -40.82 98.17 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 109.17 -0.678 . . . . 10.0 109.17 178.413 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 43.3 t-80 -65.06 -38.75 91.84 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 109.201 -0.666 . . . . 10.0 109.201 178.382 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 36.9 tp -63.39 -40.76 98.1 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 109.779 -0.452 . . . . 10.0 109.779 178.709 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 14.4 m -65.23 -38.49 90.57 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 109.258 -0.645 . . . . 10.0 109.258 178.38 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 13.4 m -68.88 -33.45 73.8 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 108.861 -0.792 . . . . 10.0 108.861 178.75 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 40.0 mt -61.75 -49.83 74.84 Favored 'General case' 0 C--O 1.221 -0.417 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.771 178.71 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.41 -32.23 72.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.935 0.397 . . . . 10.0 110.2 178.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -64.2 -26.21 68.42 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.722 -0.672 . . . . 10.0 110.37 179.101 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 7.0 mptt -101.65 -43.2 5.94 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.397 -0.365 . . . . 10.0 111.402 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -55.76 -46.41 77.89 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.083 0.401 . . . . 10.0 112.083 -179.107 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 24.0 mmtp -53.99 -63.13 2.89 Favored Pre-proline 0 CA--C 1.538 0.501 0 N-CA-C 112.823 0.675 . . . . 10.0 112.823 -179.608 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -66.35 -35.26 32.09 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 121.743 1.629 . . . . 10.0 112.76 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 565' ' ' ALA . . . . . 0.51 ' O ' ' HB2' ' D' ' 569' ' ' LEU . . . -65.9 -51.31 59.81 Favored 'General case' 0 C--O 1.226 -0.179 0 C-N-CA 121.228 -0.189 . . . . 10.0 110.955 -179.385 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 65.3 mt -63.53 -46.28 86.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.696 -0.229 . . . . 10.0 110.966 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -62.12 -48.07 81.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.754 0.311 . . . . 10.0 111.462 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -66.0 -38.32 88.17 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.938 -0.305 . . . . 10.0 110.721 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 569' ' ' LEU . . . . . 0.51 ' HB2' ' O ' ' D' ' 565' ' ' ALA . 1.5 mt -63.0 -45.15 93.75 Favored 'General case' 0 C--O 1.225 -0.217 0 N-CA-C 109.28 -0.637 . . . . 10.0 109.28 178.533 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 570' ' ' ARG . . . . . 0.47 ' O ' ' HG ' ' D' ' 574' ' ' LEU . 81.3 mtt180 -61.64 -44.8 96.29 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.352 179.078 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -72.23 -13.73 61.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.474 -0.33 . . . . 10.0 111.562 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -95.16 -36.34 5.48 Favored Glycine 0 N--CA 1.449 -0.478 0 N-CA-C 111.187 -0.765 . . . . 10.0 111.187 179.016 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 573' ' ' LEU . . . . . 0.628 ' HA ' HG12 ' D' ' 576' ' ' VAL . 92.9 mt -72.52 -34.91 67.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.86 -0.17 . . . . 10.0 111.035 179.424 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 574' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' D' ' 570' ' ' ARG . 73.7 mt -50.77 -56.97 15.17 Favored Pre-proline 0 CA--C 1.536 0.44 0 N-CA-C 112.747 0.647 . . . . 10.0 112.747 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 575' ' ' PRO . . . . . 0.412 ' HD3' ' HB2' ' D' ' 574' ' ' LEU . 61.2 Cg_endo -74.94 -32.19 5.68 Favored 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 121.722 1.615 . . . . 10.0 112.181 179.635 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 576' ' ' VAL . . . . . 0.628 HG12 ' HA ' ' D' ' 573' ' ' LEU . 0.4 OUTLIER -67.3 -37.54 79.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 C-N-CA 120.998 -0.281 . . . . 10.0 111.472 -179.434 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 57.2 mt -64.14 -38.19 90.16 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 109.866 -0.42 . . . . 10.0 109.866 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 578' ' ' GLU . . . . . 0.421 ' O ' HG23 ' D' ' 582' ' ' VAL . 19.5 mm-40 -67.38 -42.45 83.37 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.152 179.165 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 55.7 m -63.54 -40.95 98.33 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 109.288 -0.634 . . . . 10.0 109.288 178.445 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -62.77 -40.83 98.53 Favored 'General case' 0 N--CA 1.457 -0.111 0 CA-C-N 115.968 -0.56 . . . . 10.0 109.945 178.392 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -58.63 -47.44 84.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.054 178.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 582' ' ' VAL . . . . . 0.421 HG23 ' O ' ' D' ' 578' ' ' GLU . 93.8 t -57.45 -48.99 81.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.607 -0.724 . . . . 10.0 110.64 179.636 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 5.7 p -65.82 -36.88 84.75 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.378 -0.373 . . . . 10.0 111.827 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 14.1 m-30 -70.04 -37.33 75.55 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.436 -0.347 . . . . 10.0 111.194 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 585' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' D' ' 585' ' ' LEU . 30.5 mt -61.04 -44.91 96.69 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.793 179.492 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.02 -36.41 77.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.388 0.613 . . . . 10.0 110.144 179.138 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 587' ' ' ALA . . . . . 0.739 ' HA ' ' HE2' ' A' ' 396' ' ' LYS . . . -63.76 -50.24 69.83 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.57 -0.741 . . . . 10.0 110.57 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 90.6 mt -62.06 -44.7 96.13 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.939 -0.573 . . . . 10.0 111.404 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -60.6 -52.27 65.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 10.0 111.009 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 590' ' ' GLU . . . . . 0.621 ' O ' ' HD3' ' D' ' 594' ' ' LYS . 6.2 mt-10 -63.13 -39.54 94.97 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 116.48 -0.327 . . . . 10.0 111.688 -179.547 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 2.4 m-30 -62.91 -40.14 96.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.987 0.422 . . . . 10.0 110.461 179.089 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 12.4 m -72.06 -25.15 61.67 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.2 -0.454 . . . . 10.0 110.272 179.074 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -70.86 -40.72 72.13 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.397 0.618 . . . . 10.0 109.531 178.482 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 594' ' ' LYS . . . . . 0.831 ' HE3' ' HB2' ' A' ' 388' ' ' SER . 11.4 mptt -71.83 -49.99 33.59 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.604 -0.726 . . . . 10.0 109.593 179.317 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 96.7 mt -90.11 61.08 5.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.894 -0.594 . . . . 10.0 109.958 179.105 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 . . . . . 0 C--N 1.321 -0.635 0 CA-C-N 115.615 -0.721 . . . . 10.0 111.432 -179.355 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 3.8 m . . . . . 0 C--O 1.233 0.233 0 CA-C-O 120.874 0.368 . . . . 10.0 110.929 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 2' ' ' THR . . . . . 0.419 ' HB ' ' CE2' ' B' ' 4' ' ' TYR . 0.2 OUTLIER -81.94 132.32 35.26 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.341 -0.39 . . . . 10.0 110.439 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -98.83 126.8 44.58 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.198 -0.297 . . . . 10.0 110.198 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 4' ' ' TYR . . . . . 0.456 ' CD2' ' HB3' ' B' ' 51' ' ' CYS . 96.6 m-85 -121.72 110.96 16.58 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.849 0.357 . . . . 10.0 110.796 -179.374 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.665 ' HA ' ' HB3' ' B' ' 54' ' ' ASP . 58.8 mttm -83.48 101.13 11.19 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.923 -0.58 . . . . 10.0 110.247 179.526 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.551 ' O ' ' HA ' ' B' ' 55' ' ' ILE . 26.1 mt -110.29 123.95 50.75 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.698 -0.683 . . . . 10.0 110.577 -178.661 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 7' ' ' VAL . . . . . 0.512 HG11 ' CD2' ' B' ' 71' ' ' TYR . 23.5 t -108.71 132.81 55.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.415 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.511 HG12 ' HD2' ' B' ' 16' ' ' LYS . 21.7 t -96.14 118.59 42.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 109.157 -0.683 . . . . 10.0 109.157 179.758 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 26.4 m -115.74 156.8 16.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.264 -0.425 . . . . 10.0 111.642 -179.074 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 156.16 164.49 13.39 Favored Glycine 0 N--CA 1.444 -0.826 0 N-CA-C 110.866 -0.893 . . . . 10.0 110.866 -179.241 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.23 -176.68 1.52 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.13 0.49 . . . . 10.0 111.607 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -76.77 137.07 39.06 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.033 -0.53 . . . . 10.0 111.937 -179.291 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 68.61 41.23 84.77 Favored Glycine 0 N--CA 1.453 -0.192 0 CA-C-N 115.354 -0.839 . . . . 10.0 114.569 178.482 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.647 ' HA ' ' HB2' ' B' ' 83' ' ' ALA . 30.9 m -106.92 -15.01 9.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 C-N-CA 120.489 -0.484 . . . . 10.0 111.498 179.472 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 15' ' ' GLY . . . . . 0.517 ' HA3' HD22 ' B' ' 116' ' ' ASN . . . 113.17 16.73 8.17 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.878 -0.677 . . . . 10.0 112.977 179.32 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 16' ' ' LYS . . . . . 0.511 ' HD2' HG12 ' B' ' 8' ' ' VAL . 2.5 mmmm -54.66 -58.52 7.18 Favored 'General case' 0 N--CA 1.462 0.132 0 N-CA-C 112.428 0.529 . . . . 10.0 112.428 -179.323 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 2.0 m -67.26 -41.06 86.17 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.061 0.393 . . . . 10.0 112.061 -178.616 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.0 -51.87 67.87 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.553 -0.294 . . . . 10.0 111.56 -179.338 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.617 HD23 ' HB2' ' B' ' 146' ' ' ALA . 65.7 mt -60.45 -47.42 86.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.36 -0.382 . . . . 10.0 111.834 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 24.3 m -64.46 -44.44 91.05 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.292 -0.413 . . . . 10.0 112.075 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 88.0 mt -67.14 -30.39 49.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.865 0.364 . . . . 10.0 110.586 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 22' ' ' GLN . . . . . 0.584 ' HG3' ' HB1' ' B' ' 146' ' ' ALA . 7.6 mm-40 -63.91 -25.75 68.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.973 0.416 . . . . 10.0 111.611 179.026 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 14.3 tp -92.39 -26.62 17.95 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.059 0.457 . . . . 10.0 110.864 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 49.1 mm -90.08 -59.89 2.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 112.51 0.559 . . . . 10.0 112.51 -179.05 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -95.32 -15.08 23.39 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.561 0.22 . . . . 10.0 111.51 -178.631 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' ASN . . . . . 0.504 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 11.6 m-80 63.2 53.02 2.33 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 114.065 1.135 . . . . 10.0 114.065 178.274 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 19.5 p80 -157.25 156.33 32.3 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.735 -0.469 . . . . 10.0 109.735 178.553 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -95.76 129.56 42.95 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.389 0.614 . . . . 10.0 111.912 -179.19 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -99.91 101.58 12.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.767 -0.651 . . . . 10.0 110.598 179.268 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -73.6 -24.92 60.12 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.365 0.603 . . . . 10.0 112.008 -179.447 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -85.3 117.28 24.13 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.755 -0.657 . . . . 10.0 110.451 179.301 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -66.35 124.45 22.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.012 0.434 . . . . 10.0 111.371 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -125.25 113.01 26.1 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.963 -0.562 . . . . 10.0 109.76 179.029 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -60.5 127.49 22.96 Favored 'Trans proline' 0 CA--C 1.518 -0.284 0 C-N-CA 122.93 2.42 . . . . 10.0 112.059 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 4.9 m -107.62 126.07 52.11 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.186 179.581 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 39.6 mm -88.32 -48.54 14.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 108.548 -0.908 . . . . 10.0 108.548 178.721 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -172.94 103.53 0.14 Allowed 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.389 -0.823 . . . . 10.0 109.569 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -125.61 141.71 51.88 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.568 0.223 . . . . 10.0 111.01 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -114.84 143.13 45.6 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.69 0.281 . . . . 10.0 110.722 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -136.97 134.57 36.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.819 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -114.34 140.95 48.22 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.821 0.343 . . . . 10.0 110.999 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -154.38 136.16 14.46 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.187 -0.46 . . . . 10.0 110.439 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -107.97 113.59 26.9 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.11 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 3.5 t -125.34 150.14 30.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.374 -0.376 . . . . 10.0 110.579 -179.347 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 2.7 t -88.82 68.92 0.64 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.412 0 CA-C-O 121.594 0.712 . . . . 10.0 109.567 179.251 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 46' ' ' ILE . . . . . 0.595 HD13 HG21 ' B' ' 160' ' ' VAL . 64.2 mt -72.41 115.88 13.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.026 -0.988 . . . . 10.0 111.171 -179.163 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 61.79 22.23 12.84 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.715 -0.675 . . . . 10.0 112.349 179.269 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.92 -6.14 76.44 Favored Glycine 0 C--O 1.226 -0.395 0 C-N-CA 120.804 -0.713 . . . . 10.0 111.665 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -102.84 124.85 49.12 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.614 -0.513 . . . . 10.0 109.614 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 3.1 m -73.95 102.67 4.19 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.098 -0.704 . . . . 10.0 109.098 179.468 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 51' ' ' CYS . . . . . 0.456 ' HB3' ' CD2' ' B' ' 4' ' ' TYR . 3.3 m -107.26 136.9 46.3 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.217 0.451 . . . . 10.0 112.217 -177.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 53.5 tp -98.82 107.72 20.23 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 107.762 -1.199 . . . . 10.0 107.762 177.5 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 48.9 mt -83.36 123.1 29.31 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.977 -0.556 . . . . 10.0 112.436 -178.387 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 54' ' ' ASP . . . . . 0.665 ' HB3' ' HA ' ' B' ' 5' ' ' LYS . 19.6 t70 -104.86 88.31 2.87 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 107.317 -1.364 . . . . 10.0 107.317 177.819 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 55' ' ' ILE . . . . . 0.551 ' HA ' ' O ' ' B' ' 6' ' ' LEU . 9.7 mt -88.83 140.06 16.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 115.464 -0.789 . . . . 10.0 111.906 -177.801 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 32.5 tp -131.74 118.04 19.42 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.99 -0.55 . . . . 10.0 111.056 179.567 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -99.7 104.43 16.16 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.744 -0.836 . . . . 10.0 108.744 178.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.47 161.66 13.53 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.179 -0.464 . . . . 10.0 112.01 -178.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.37 139.42 58.76 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.076 -0.511 . . . . 10.0 111.71 -179.585 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -123.29 27.92 5.69 Favored Glycine 0 C--O 1.227 -0.298 0 CA-C-N 115.626 -0.716 . . . . 10.0 111.43 179.457 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -98.16 37.31 1.45 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.513 -0.343 . . . . 10.0 110.97 -179.171 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 59.54 -162.33 0.25 Allowed 'General case' 0 C--O 1.234 0.262 0 O-C-N 123.495 0.497 . . . . 10.0 110.984 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 71.98 -49.03 0.69 Allowed 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 113.419 0.896 . . . . 10.0 113.419 178.363 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 64' ' ' TYR . . . . . 0.45 ' HB3' ' HB3' ' B' ' 67' ' ' MET . 58.6 m-85 -76.27 85.47 3.07 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 114.105 1.15 . . . . 10.0 114.105 -178.268 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.97 -41.41 8.41 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.23 -0.896 . . . . 10.0 109.622 178.418 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.24 -39.62 39.71 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.769 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 67' ' ' MET . . . . . 0.45 ' HB3' ' HB3' ' B' ' 64' ' ' TYR . 27.8 ttt -64.56 -30.51 71.54 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.648 -0.705 . . . . 10.0 110.332 179.346 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 68' ' ' ARG . . . . . 0.617 ' HA ' ' CE1' ' B' ' 71' ' ' TYR . 12.4 ttp180 -69.5 -36.29 76.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.73 -0.668 . . . . 10.0 110.262 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.9 -20.36 65.78 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.506 -0.77 . . . . 10.0 111.974 -179.708 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -78.77 -63.46 1.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.494 0.553 . . . . 10.0 112.494 -178.714 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 71' ' ' TYR . . . . . 0.617 ' CE1' ' HA ' ' B' ' 68' ' ' ARG . 37.4 p90 -66.16 -18.27 65.24 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 113.333 0.864 . . . . 10.0 113.333 -178.154 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 72' ' ' MET . . . . . 0.669 ' HA ' ' HZ ' ' B' ' 78' ' ' PHE . 22.5 mtt -67.43 -27.9 67.44 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.045 0.45 . . . . 10.0 110.07 178.695 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -75.34 -42.13 55.01 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.69 -0.686 . . . . 10.0 110.616 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 4.2 m -75.51 -44.1 45.48 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.089 -0.505 . . . . 10.0 112.001 -179.619 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -59.94 132.18 50.78 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 121.194 -0.526 . . . . 10.0 112.841 -179.579 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -96.19 -54.71 3.2 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 121.106 0.479 . . . . 10.0 109.73 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -103.02 134.02 11.66 Favored Glycine 0 N--CA 1.447 -0.579 0 N-CA-C 110.869 -0.892 . . . . 10.0 110.869 179.251 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 78' ' ' PHE . . . . . 0.669 ' HZ ' ' HA ' ' B' ' 72' ' ' MET . 58.5 m-85 -114.11 123.87 50.7 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.631 0.729 . . . . 10.0 112.481 -179.024 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.493 HD13 HD22 ' B' ' 159' ' ' LEU . 16.2 tp -97.71 107.94 20.55 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.22 -0.9 . . . . 10.0 109.092 179.186 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 16.4 m -87.95 96.54 10.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.312 -0.404 . . . . 10.0 110.319 -179.253 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 70.0 t -100.89 123.77 54.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.672 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 82' ' ' PHE . . . . . 0.72 ' HB2' ' HB2' ' B' ' 89' ' ' SER . 19.4 p90 -132.61 145.22 50.92 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.61 179.508 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.647 ' HB2' ' HA ' ' B' ' 14' ' ' VAL . . . -82.29 122.17 27.6 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 108.695 -0.854 . . . . 10.0 108.695 178.73 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 84' ' ' ILE . . . . . 0.598 HD11 ' HA ' ' B' ' 118' ' ' CYS . 46.6 pt -65.94 -9.76 9.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 112.509 0.559 . . . . 10.0 112.509 -178.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 23.4 p-10 -101.33 6.36 42.69 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.063 0.458 . . . . 10.0 110.96 179.463 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 42.3 t-20 -135.29 111.38 9.57 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.028 0.442 . . . . 10.0 110.356 179.485 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 4.5 m -65.11 -30.98 71.96 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.775 0.657 . . . . 10.0 112.775 -178.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 47.4 tttp -58.53 -41.59 85.87 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 121.056 -0.258 . . . . 10.0 111.368 -179.392 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 89' ' ' SER . . . . . 0.72 ' HB2' ' HB2' ' B' ' 82' ' ' PHE . 0.1 OUTLIER -59.85 -41.64 91.87 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.585 -0.28 . . . . 10.0 110.956 -179.864 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -64.35 -35.32 80.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.167 0.508 . . . . 10.0 110.801 -179.63 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -78.66 -35.41 45.35 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.45 -32.26 72.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.883 -0.599 . . . . 10.0 111.235 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 93' ' ' ILE . . . . . 0.606 HG12 ' O ' ' B' ' 89' ' ' SER . 46.5 mm -61.92 -35.07 66.04 Favored 'Isoleucine or valine' 0 C--O 1.231 0.125 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.829 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -64.3 -37.81 88.82 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 109.869 -0.419 . . . . 10.0 109.869 179.649 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 61.3 m80 -64.44 -44.86 89.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.039 -0.528 . . . . 10.0 109.726 179.237 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 13.3 m-30 -62.54 -45.21 93.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.333 -0.849 . . . . 10.0 111.458 -179.458 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -55.74 -47.44 76.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.18 -0.464 . . . . 10.0 111.807 -179.411 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -70.02 -43.43 71.33 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.098 0.407 . . . . 10.0 112.098 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 99' ' ' GLN . . . . . 0.541 ' HG2' ' SD ' ' B' ' 72' ' ' MET . 62.8 tt0 -60.99 -40.21 92.64 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.627 0.251 . . . . 10.0 110.824 179.748 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 55.8 mt -56.77 -45.08 82.89 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-O 121.094 0.473 . . . . 10.0 110.038 179.221 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 101' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' B' ' 105' ' ' ASP . 43.1 mtmt -70.03 -18.13 63.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.01 -0.541 . . . . 10.0 111.364 -179.605 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 8.4 tmm_? -88.01 -29.77 20.47 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.245 179.306 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 103' ' ' VAL . . . . . 0.433 HG23 ' O ' ' B' ' 99' ' ' GLN . 89.5 t -80.27 -55.65 8.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.266 -0.425 . . . . 10.0 111.662 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -81.91 -17.99 45.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.629 -0.259 . . . . 10.0 111.293 -179.283 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 105' ' ' ASP . . . . . 0.407 ' HA ' ' O ' ' B' ' 101' ' ' LYS . 23.4 t0 61.27 44.22 10.0 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.47 0.652 . . . . 10.0 111.801 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 9.7 t -140.15 143.37 36.12 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.927 -0.579 . . . . 10.0 110.305 179.204 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -86.31 -34.41 20.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.818 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.16 92.3 9.14 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.99 0.424 . . . . 10.0 111.446 -179.045 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 47.3 t -125.81 118.06 24.22 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 115.664 -0.698 . . . . 10.0 109.448 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -59.06 112.06 1.1 Allowed 'Trans proline' 0 N--CA 1.473 0.307 0 C-N-CA 123.034 2.489 . . . . 10.0 112.113 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 111' ' ' MET . . . . . 0.616 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 60.6 mtm -137.6 146.26 43.77 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.176 -0.465 . . . . 10.0 110.477 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 50.2 t -125.72 129.89 72.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.534 -0.543 . . . . 10.0 109.534 179.163 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 31.4 tp -89.86 115.8 27.46 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.174 -0.676 . . . . 10.0 109.174 178.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 77.2 t -114.19 115.21 48.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 121.159 0.504 . . . . 10.0 111.766 -178.225 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -91.87 112.78 4.24 Favored Glycine 0 N--CA 1.445 -0.744 0 N-CA-C 109.412 -1.475 . . . . 10.0 109.412 178.322 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 116' ' ' ASN . . . . . 0.517 HD22 ' HA3' ' B' ' 15' ' ' GLY . 67.2 t30 -98.22 161.64 13.6 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 117.118 0.459 . . . . 10.0 112.135 -178.158 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 58.4 mttm 69.64 35.35 2.45 Favored 'General case' 0 N--CA 1.462 0.137 0 O-C-N 124.016 0.823 . . . . 10.0 111.942 179.375 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 118' ' ' CYS . . . . . 0.598 ' HA ' HD11 ' B' ' 84' ' ' ILE . 97.4 m -68.1 -22.09 64.92 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.358 0.503 . . . . 10.0 112.358 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -72.62 -21.2 61.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.747 0.308 . . . . 10.0 110.975 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 23.6 mt -65.79 132.95 94.91 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 10.0 111.317 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -75.88 143.73 26.68 Favored 'Trans proline' 0 N--CA 1.462 -0.344 0 C-N-CA 122.647 2.232 . . . . 10.0 112.28 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 2.3 m 62.54 67.4 0.71 Allowed 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.216 -0.902 . . . . 10.0 111.775 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -72.65 159.22 34.21 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.432 -0.804 . . . . 10.0 111.378 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 1.3 m -95.01 -47.91 6.2 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.233 -0.439 . . . . 10.0 111.149 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 125' ' ' VAL . . . . . 0.406 HG13 ' HG3' ' B' ' 129' ' ' GLN . 77.9 t -89.78 109.94 21.17 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 CA-C-O 121.195 0.522 . . . . 10.0 109.891 178.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 126' ' ' ASP . . . . . 0.477 ' HB3' ' HG2' ' B' ' 128' ' ' LYS . 0.2 OUTLIER -74.6 153.23 39.08 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.72 -0.673 . . . . 10.0 110.046 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 4.1 m -54.73 -34.62 62.72 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.123 -0.49 . . . . 10.0 111.125 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 128' ' ' LYS . . . . . 0.772 ' CB ' ' HA ' ' C' ' 47' ' ' ASP . 9.9 pttm -57.9 -62.13 2.03 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.668 -0.696 . . . . 10.0 112.835 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 129' ' ' GLN . . . . . 0.436 ' H ' ' HG3' ' B' ' 128' ' ' LYS . 4.9 pt20 -61.75 -31.31 71.48 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.066 0.395 . . . . 10.0 112.066 -178.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.32 -45.83 89.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.425 -0.352 . . . . 10.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 13.7 tp60 -82.58 -20.48 36.43 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 120.878 0.37 . . . . 10.0 110.409 179.397 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -60.4 -40.64 91.67 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.813 -0.63 . . . . 10.0 110.673 179.262 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 27.6 tp -71.82 -23.99 61.64 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.926 -0.579 . . . . 10.0 111.011 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 134' ' ' ALA . . . . . 0.54 ' HA ' ' HB2' ' B' ' 137' ' ' TYR . . . -81.32 -7.22 59.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.067 -0.515 . . . . 10.0 112.11 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 42.9 ttm105 -57.9 -57.17 13.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.098 -0.501 . . . . 10.0 111.731 -179.429 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 5.9 t -89.78 18.51 5.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.277 0.561 . . . . 10.0 110.738 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 137' ' ' TYR . . . . . 0.54 ' HB2' ' HA ' ' B' ' 134' ' ' ALA . 3.6 m-30 -106.85 -54.4 2.48 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.868 -0.605 . . . . 10.0 109.997 179.214 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 101.4 -4.38 54.57 Favored Glycine 0 N--CA 1.452 -0.249 0 N-CA-C 111.422 -0.671 . . . . 10.0 111.422 -178.779 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 139' ' ' ILE . . . . . 0.403 HG12 ' HB3' ' B' ' 137' ' ' TYR . 36.6 pt -89.06 153.45 49.13 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 115.702 -0.249 . . . . 10.0 110.441 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -91.51 143.67 3.04 Favored 'Trans proline' 0 N--CA 1.456 -0.71 0 C-N-CA 122.535 2.157 . . . . 10.0 112.57 179.67 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -110.46 129.55 55.75 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.61 -0.723 . . . . 10.0 109.646 178.461 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 42.3 mt -125.18 130.92 72.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.572 -0.285 . . . . 10.0 111.002 -179.568 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 143' ' ' GLU . . . . . 0.471 ' HB3' ' SG ' ' B' ' 118' ' ' CYS . 36.2 mt-10 -87.07 121.16 29.15 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.575 -0.898 . . . . 10.0 108.575 178.837 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 144' ' ' THR . . . . . 0.676 HG22 ' HA3' ' B' ' 151' ' ' GLY . 59.3 p -135.28 -178.52 5.14 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.157 0.503 . . . . 10.0 112.164 -178.268 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 145' ' ' SER . . . . . 0.424 ' HB3' ' OG1' ' B' ' 148' ' ' THR . 0.1 OUTLIER -169.68 124.06 0.79 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.117 -0.947 . . . . 10.0 108.647 178.884 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 146' ' ' ALA . . . . . 0.617 ' HB2' HD23 ' B' ' 19' ' ' LEU . . . -66.38 -30.73 71.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.243 0.544 . . . . 10.0 110.604 -178.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -65.42 -36.64 84.54 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.638 -0.71 . . . . 10.0 112.492 -179.34 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 148' ' ' THR . . . . . 0.424 ' OG1' ' HB3' ' B' ' 145' ' ' SER . 0.7 OUTLIER -96.3 -16.15 21.51 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 113.321 0.86 . . . . 10.0 113.321 -178.466 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 149' ' ' ARG . . . . . 0.529 ' HD2' HG21 ' B' ' 152' ' ' VAL . 6.1 tpt180 63.78 41.55 6.81 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.677 0.751 . . . . 10.0 110.309 -179.305 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -121.04 122.02 39.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.785 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 151' ' ' GLY . . . . . 0.676 ' HA3' HG22 ' B' ' 144' ' ' THR . . . 93.67 -9.25 73.84 Favored Glycine 0 N--CA 1.45 -0.376 0 CA-C-N 115.796 -0.638 . . . . 10.0 113.139 179.565 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 152' ' ' VAL . . . . . 0.529 HG21 ' HD2' ' B' ' 149' ' ' ARG . 3.9 t -57.24 -63.96 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 CA-C-O 121.019 0.438 . . . . 10.0 111.193 -179.703 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -62.04 -29.23 70.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.976 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -64.44 -54.9 25.4 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.898 -0.592 . . . . 10.0 111.211 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -63.45 -45.56 90.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.922 -0.581 . . . . 10.0 112.043 -179.26 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -58.39 -44.36 88.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.563 -0.29 . . . . 10.0 111.346 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 157' ' ' TYR . . . . . 0.513 ' HE2' ' HB3' ' C' ' 128' ' ' LYS . 3.1 m-85 -65.27 -41.38 94.26 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.525 179.489 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 60.3 m -62.84 -40.2 96.72 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.832 -0.622 . . . . 10.0 111.342 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 159' ' ' LEU . . . . . 0.493 HD22 HD13 ' B' ' 79' ' ' LEU . 42.6 tp -60.95 -45.37 95.01 Favored 'General case' 0 C--N 1.334 -0.089 0 CA-C-O 120.865 0.364 . . . . 10.0 110.779 179.517 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 160' ' ' VAL . . . . . 0.715 ' HA ' HD12 ' B' ' 163' ' ' ILE . 60.0 t -66.82 -38.17 80.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.945 -0.571 . . . . 10.0 110.434 179.378 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 161' ' ' ARG . . . . . 0.513 ' HB3' ' HG3' ' C' ' 135' ' ' ARG . 46.6 mtm-85 -66.15 -30.97 71.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.094 -0.503 . . . . 10.0 111.079 178.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -65.18 -33.82 76.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.237 0.541 . . . . 10.0 109.926 178.672 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 163' ' ' ILE . . . . . 0.715 HD12 ' HA ' ' B' ' 160' ' ' VAL . 19.9 mt -70.27 -40.78 78.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.6 -0.727 . . . . 10.0 109.353 179.057 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 40.8 mtt85 -70.42 -35.29 73.32 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.417 -0.586 . . . . 10.0 109.417 178.515 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 165' ' ' LYS . . . . . 0.512 ' HB2' ' HD3' ' C' ' 135' ' ' ARG . 28.3 ttmt . . . . . 0 CA--C 1.518 -0.286 0 CA-C-N 115.428 -0.805 . . . . 10.0 109.048 178.743 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.233 0.217 0 CA-C-O 120.74 0.305 . . . . 10.0 110.65 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 2' ' ' THR . . . . . 0.515 ' HB ' ' CE2' ' C' ' 4' ' ' TYR . 0.1 OUTLIER -77.3 122.5 25.18 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.418 -179.68 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -94.43 140.54 29.69 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.39 -0.596 . . . . 10.0 109.39 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 4' ' ' TYR . . . . . 0.515 ' CE2' ' HB ' ' C' ' 2' ' ' THR . 98.3 m-85 -131.44 114.35 14.82 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.653 0.263 . . . . 10.0 110.921 -179.59 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 5' ' ' LYS . . . . . 0.655 ' HA ' ' HB3' ' C' ' 54' ' ' ASP . 29.2 mttm -78.42 115.09 17.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.895 179.586 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 6' ' ' LEU . . . . . 0.518 HD12 HG12 ' C' ' 55' ' ' ILE . 11.2 mt -116.05 121.04 41.01 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.077 -0.511 . . . . 10.0 111.349 -178.487 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 7' ' ' VAL . . . . . 0.522 HG23 ' HA3' ' C' ' 75' ' ' GLY . 87.6 t -107.02 119.88 57.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.139 -0.482 . . . . 10.0 109.844 179.553 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.558 HG12 ' HD2' ' C' ' 16' ' ' LYS . 39.9 t -88.82 111.53 22.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 109.677 -0.49 . . . . 10.0 109.677 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 4.3 m -112.29 147.18 16.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.42 -0.355 . . . . 10.0 110.649 -179.564 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.97 169.63 25.58 Favored Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 111.231 -0.748 . . . . 10.0 111.231 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.01 -175.25 1.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.996 0.427 . . . . 10.0 111.988 -179.306 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -85.17 142.75 29.24 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.023 -0.535 . . . . 10.0 111.948 -179.642 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 67.07 24.71 73.29 Favored Glycine 0 CA--C 1.519 0.285 0 CA-C-N 115.319 -0.855 . . . . 10.0 114.334 178.656 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 34.6 m -95.15 -12.62 8.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 117.346 0.573 . . . . 10.0 111.672 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 15' ' ' GLY . . . . . 0.448 ' HA3' ' ND2' ' C' ' 116' ' ' ASN . . . 108.71 20.48 8.07 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.742 -0.742 . . . . 10.0 112.661 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 16' ' ' LYS . . . . . 0.558 ' HD2' HG12 ' C' ' 8' ' ' VAL . 5.8 mtmm -57.54 -48.43 79.33 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.02 0.438 . . . . 10.0 111.324 -179.71 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 3.2 m -79.91 -38.14 33.15 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.691 -0.686 . . . . 10.0 111.104 -179.296 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.41 -51.34 68.71 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.361 -0.381 . . . . 10.0 111.287 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 19' ' ' LEU . . . . . 0.505 ' HB3' ' HZ ' ' C' ' 156' ' ' PHE . 64.5 mt -61.66 -51.88 66.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.849 0.357 . . . . 10.0 111.66 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 19.3 m -58.57 -39.86 81.51 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.098 -0.501 . . . . 10.0 111.966 -179.297 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 51.1 mt -66.34 -30.88 51.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.886 0.374 . . . . 10.0 111.034 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 22' ' ' GLN . . . . . 0.714 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 4.7 mm-40 -66.29 -28.38 68.65 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.901 0.381 . . . . 10.0 111.068 179.456 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 53.4 tp -84.03 -38.86 20.35 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.018 0.437 . . . . 10.0 110.868 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 24' ' ' ILE . . . . . 0.424 HG13 ' CD2' ' C' ' 40' ' ' TYR . 40.8 mm -83.68 -69.69 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.092 -0.503 . . . . 10.0 111.846 -179.089 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -75.23 -22.77 57.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.448 . . . . 10.0 111.458 -178.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 26' ' ' ASN . . . . . 0.714 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 8.9 m-80 71.46 31.06 2.37 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 113.717 1.006 . . . . 10.0 113.717 178.46 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 3.8 p80 -146.56 158.37 43.89 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 110.003 -0.369 . . . . 10.0 110.003 178.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -94.91 130.52 41.49 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.718 0.294 . . . . 10.0 110.469 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 1.2 m -98.9 110.6 26.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.885 -0.598 . . . . 10.0 110.036 179.029 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -79.37 -15.98 57.01 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.356 0.598 . . . . 10.0 110.419 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -80.21 127.16 32.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.813 -0.63 . . . . 10.0 110.065 179.302 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -78.9 112.28 15.92 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.233 -0.439 . . . . 10.0 111.015 -179.33 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -117.78 109.08 41.87 Favored Pre-proline 0 C--O 1.239 0.511 0 CA-C-N 116.378 -0.373 . . . . 10.0 110.448 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_exo -72.82 94.17 0.79 Allowed 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 122.521 2.148 . . . . 10.0 111.293 179.389 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.53 141.89 28.28 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.012 179.307 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 36' ' ' ILE . . . . . 0.704 ' HA ' ' HB2' ' C' ' 59' ' ' ALA . 37.5 mm -95.41 -45.67 13.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.215 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -159.69 103.2 1.54 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.23 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -117.74 137.92 52.38 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 120.736 -0.386 . . . . 10.0 111.113 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 3.7 m -101.84 136.37 41.79 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.449 -0.342 . . . . 10.0 111.534 -178.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 40' ' ' TYR . . . . . 0.683 ' HB2' ' HB ' ' C' ' 55' ' ' ILE . 98.5 m-85 -131.66 129.25 40.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.494 . . . . 10.0 110.183 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 41' ' ' ARG . . . . . 0.531 ' HA ' ' O ' ' C' ' 53' ' ' LEU . 0.5 OUTLIER -130.15 127.4 39.67 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 110.175 -0.305 . . . . 10.0 110.175 179.909 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 50.6 tttp -148.15 132.14 17.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.369 -0.378 . . . . 10.0 110.861 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -102.76 110.61 22.6 Favored 'General case' 0 C--N 1.323 -0.543 0 N-CA-C 110.291 -0.263 . . . . 10.0 110.291 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 6.7 m -130.09 174.45 12.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 120.798 0.333 . . . . 10.0 111.33 -179.581 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 17.4 t -99.47 107.12 20.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.069 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 59.9 mt -113.83 120.48 63.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.097 -0.501 . . . . 10.0 110.171 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 47' ' ' ASP . . . . . 0.772 ' HA ' ' CB ' ' B' ' 128' ' ' LYS . 65.9 m-20 61.92 33.58 17.37 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 123.793 0.683 . . . . 10.0 112.249 179.422 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.17 31.21 57.78 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.95 -0.643 . . . . 10.0 113.036 179.472 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -148.7 134.69 19.1 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.09 -0.337 . . . . 10.0 110.09 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 5.9 m -71.87 117.12 13.06 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 110.003 -0.369 . . . . 10.0 110.003 179.124 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 2.2 m -121.48 143.14 49.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.929 0.395 . . . . 10.0 111.677 -178.757 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 60.1 tp -101.91 111.41 23.67 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.112 -0.699 . . . . 10.0 109.112 178.644 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 53' ' ' LEU . . . . . 0.531 ' O ' ' HA ' ' C' ' 41' ' ' ARG . 38.3 mt -80.4 118.76 22.31 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.057 -0.519 . . . . 10.0 112.155 -179.284 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 54' ' ' ASP . . . . . 0.655 ' HB3' ' HA ' ' C' ' 5' ' ' LYS . 32.7 t70 -107.28 76.74 1.1 Allowed 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 107.476 -1.305 . . . . 10.0 107.476 177.763 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 55' ' ' ILE . . . . . 0.683 ' HB ' ' HB2' ' C' ' 40' ' ' TYR . 2.3 mt -87.99 148.4 4.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.193 -0.912 . . . . 10.0 112.362 -177.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 16.3 tp -138.86 121.88 16.75 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.762 -0.654 . . . . 10.0 110.52 179.319 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -90.18 114.37 26.32 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.775 -0.824 . . . . 10.0 108.775 179.359 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 62.1 p -94.96 170.19 9.6 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.077 -0.51 . . . . 10.0 112.137 -177.767 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 59' ' ' ALA . . . . . 0.704 ' HB2' ' HA ' ' C' ' 36' ' ' ILE . . . -90.75 127.77 36.44 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-O 121.098 0.475 . . . . 10.0 109.925 179.744 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -103.42 27.89 17.97 Favored Glycine 0 C--O 1.225 -0.46 0 C-N-CA 120.786 -0.721 . . . . 10.0 112.655 -179.492 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -96.58 15.88 20.39 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.549 0.214 . . . . 10.0 111.402 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 60.49 -162.21 0.27 Allowed 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 115.997 -0.547 . . . . 10.0 111.501 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 71.7 -39.64 0.45 Allowed 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 113.156 0.799 . . . . 10.0 113.156 179.087 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 64' ' ' TYR . . . . . 0.639 ' HB3' ' HB3' ' C' ' 67' ' ' MET . 74.8 m-85 -74.4 67.5 1.45 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.012 0.434 . . . . 10.0 112.167 -179.452 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 1.3 m -72.03 -37.1 69.8 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.506 179.712 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.32 -42.22 23.42 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.1 -0.5 . . . . 10.0 111.075 -179.175 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 67' ' ' MET . . . . . 0.639 ' HB3' ' HB3' ' C' ' 64' ' ' TYR . 19.2 ttt -61.6 -37.03 82.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.702 -0.681 . . . . 10.0 110.866 -179.549 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 68' ' ' ARG . . . . . 0.587 ' HA ' ' CE2' ' C' ' 71' ' ' TYR . 7.1 ttp180 -62.33 -39.8 94.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.165 -0.471 . . . . 10.0 110.921 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -63.93 -40.62 96.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.635 -0.712 . . . . 10.0 111.018 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -54.52 -58.04 9.01 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 113.64 0.978 . . . . 10.0 113.64 -178.725 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 71' ' ' TYR . . . . . 0.587 ' CE2' ' HA ' ' C' ' 68' ' ' ARG . 2.3 p90 -75.79 -16.78 60.06 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 113.152 0.797 . . . . 10.0 113.152 -178.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 72' ' ' MET . . . . . 0.497 ' HE3' ' HG2' ' C' ' 68' ' ' ARG . 32.2 mtt -68.42 -31.04 70.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.559 0.695 . . . . 10.0 110.417 179.338 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 73' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' C' ' 73' ' ' ARG . 41.1 mtm105 -80.3 -9.73 59.74 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.649 -0.705 . . . . 10.0 111.095 179.516 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -100.26 -52.2 3.45 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.392 -0.367 . . . . 10.0 111.403 -179.757 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 75' ' ' GLY . . . . . 0.522 ' HA3' HG23 ' C' ' 7' ' ' VAL . . . -59.95 140.18 48.11 Favored Glycine 0 N--CA 1.452 -0.29 0 CA-C-N 115.988 -0.551 . . . . 10.0 113.313 -179.022 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 76' ' ' GLU . . . . . 0.488 ' HG3' ' HB2' ' C' ' 5' ' ' LYS . 36.5 mt-10 -92.82 -43.27 9.09 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.081 0.467 . . . . 10.0 109.967 179.573 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -118.41 135.08 11.32 Favored Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 111.198 -0.761 . . . . 10.0 111.198 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 78' ' ' PHE . . . . . 0.658 ' HB2' ' HG2' ' C' ' 111' ' ' MET . 96.0 m-85 -109.1 124.59 51.03 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.218 0.532 . . . . 10.0 111.903 -178.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 79' ' ' LEU . . . . . 0.458 HD13 HD22 ' C' ' 159' ' ' LEU . 14.2 tp -96.13 104.26 16.2 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.576 -0.738 . . . . 10.0 109.32 179.494 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 80' ' ' CYS . . . . . 0.585 ' HB3' HD12 ' C' ' 93' ' ' ILE . 3.4 m -83.13 97.3 8.73 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.413 -0.358 . . . . 10.0 110.134 -179.619 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 45.4 t -99.78 125.08 53.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.261 -0.427 . . . . 10.0 111.708 -178.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 11.4 p90 -133.17 163.88 28.29 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.004 -0.544 . . . . 10.0 109.566 178.663 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 83' ' ' ALA . . . . . 0.445 ' HB3' ' HB3' ' C' ' 86' ' ' ASN . . . -103.34 130.76 50.71 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.676 -0.491 . . . . 10.0 109.676 179.612 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 84' ' ' ILE . . . . . 0.702 HD12 ' HB3' ' C' ' 123' ' ' ARG . 23.6 pt -63.51 -21.57 28.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.844 0.354 . . . . 10.0 111.571 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -96.27 8.13 44.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.642 179.367 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 86' ' ' ASN . . . . . 0.445 ' HB3' ' HB3' ' C' ' 83' ' ' ALA . 19.2 t-20 -132.57 94.89 3.5 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.137 0.494 . . . . 10.0 110.865 -179.1 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.45 -29.82 69.26 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.733 -0.667 . . . . 10.0 111.367 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -58.89 -48.17 82.36 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.99 179.655 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 77.8 p -64.23 -27.34 68.99 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-O 120.761 0.315 . . . . 10.0 111.344 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 90' ' ' PHE . . . . . 0.421 ' HB2' HG21 ' C' ' 125' ' ' VAL . 90.6 t80 -67.32 -42.79 83.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.025 -0.534 . . . . 10.0 109.717 179.314 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -70.64 -35.07 72.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.999 -0.546 . . . . 10.0 109.782 179.27 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.16 -30.23 68.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.48 -0.782 . . . . 10.0 111.355 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 93' ' ' ILE . . . . . 0.585 HD12 ' HB3' ' C' ' 80' ' ' CYS . 43.8 mm -57.3 -49.82 78.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-N 116.495 -0.321 . . . . 10.0 111.125 179.429 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 79.8 t60 -61.69 -42.27 98.71 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.116 0.484 . . . . 10.0 110.098 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 42.3 m170 -64.9 -32.93 74.88 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.715 -0.675 . . . . 10.0 111.207 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 18.5 m-30 -72.49 -49.81 30.43 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.348 179.045 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 97' ' ' ARG . . . . . 0.459 ' CZ ' ' HD3' ' C' ' 101' ' ' LYS . 23.4 ttt-85 -56.83 -41.46 77.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.512 -179.155 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -61.41 -34.35 75.22 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.295 -0.411 . . . . 10.0 111.429 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -78.94 -39.65 34.06 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-O 120.897 0.379 . . . . 10.0 110.001 178.7 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 92.6 mt -57.13 -46.48 84.57 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.764 179.616 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 101' ' ' LYS . . . . . 0.459 ' HD3' ' CZ ' ' C' ' 97' ' ' ARG . 35.1 mtmt -66.43 -27.72 68.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.087 -0.506 . . . . 10.0 111.157 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 15.3 ttm180 -79.28 -47.21 16.3 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.965 -0.561 . . . . 10.0 111.12 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 86.2 t -62.77 -41.01 90.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 10.0 111.211 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 7.8 mttp -88.08 -8.73 55.08 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.355 -0.384 . . . . 10.0 111.061 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 11.0 t70 54.56 56.96 6.19 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.699 -0.682 . . . . 10.0 112.01 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 35.3 t -165.28 142.06 5.68 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.715 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -80.03 -24.23 40.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.381 0.61 . . . . 10.0 109.604 179.007 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -102.43 110.2 22.07 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.735 -0.666 . . . . 10.0 111.505 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 57.7 t -141.61 129.4 11.86 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 115.275 -0.875 . . . . 10.0 108.926 179.309 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -60.43 114.21 2.02 Favored 'Trans proline' 0 C--O 1.236 0.381 0 C-N-CA 122.576 2.184 . . . . 10.0 112.182 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 111' ' ' MET . . . . . 0.658 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 29.7 mtm -141.78 151.19 42.62 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.844 -179.784 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 112' ' ' VAL . . . . . 0.422 HG21 ' HA ' ' C' ' 159' ' ' LEU . 42.1 t -134.22 129.31 53.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.178 179.366 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 113' ' ' LEU . . . . . 0.605 ' HB3' ' HD1' ' C' ' 141' ' ' PHE . 0.5 OUTLIER -85.36 124.95 32.55 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.416 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 70.1 t -122.89 117.87 53.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.09 0.471 . . . . 10.0 111.422 -179.204 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -101.03 99.06 1.91 Allowed Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 109.999 -1.24 . . . . 10.0 109.999 178.631 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 116' ' ' ASN . . . . . 0.448 ' ND2' ' HA3' ' C' ' 15' ' ' GLY . 66.4 t30 -83.16 165.86 19.13 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.846 0.313 . . . . 10.0 111.846 -178.148 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 82.6 mttt 64.09 30.29 13.91 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 123.166 0.587 . . . . 10.0 111.658 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 118' ' ' CYS . . . . . 0.629 ' HA ' HD13 ' C' ' 84' ' ' ILE . 0.7 OUTLIER -69.55 1.67 3.86 Favored 'General case' 0 N--CA 1.463 0.193 0 N-CA-C 112.917 0.71 . . . . 10.0 112.917 -179.338 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -105.19 -0.94 26.0 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.905 0.383 . . . . 10.0 110.629 179.105 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 40.9 mt -87.77 134.87 34.64 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.222 -0.444 . . . . 10.0 110.505 179.417 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -68.81 156.24 66.06 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.882 2.388 . . . . 10.0 112.286 -179.364 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 19.8 m 61.71 72.9 0.49 Allowed 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 113.018 0.747 . . . . 10.0 113.018 179.561 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 123' ' ' ARG . . . . . 0.702 ' HB3' HD12 ' C' ' 84' ' ' ILE . 7.9 ptp180 -87.63 129.38 35.14 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.644 179.581 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -72.89 -45.44 58.22 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 120.751 0.31 . . . . 10.0 111.193 -179.742 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 125' ' ' VAL . . . . . 0.421 HG21 ' HB2' ' C' ' 90' ' ' PHE . 98.7 t -85.26 118.48 32.24 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.425 0 N-CA-C 109.436 -0.579 . . . . 10.0 109.436 178.614 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -67.65 148.0 51.94 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.908 -0.587 . . . . 10.0 109.654 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.16 -45.93 89.7 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.469 -0.332 . . . . 10.0 110.716 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 128' ' ' LYS . . . . . 0.513 ' HB3' ' HE2' ' B' ' 157' ' ' TYR . 14.2 ptpt -60.18 -48.39 81.92 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 113.095 0.776 . . . . 10.0 113.095 -179.097 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -67.94 -30.18 69.42 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.228 0.455 . . . . 10.0 112.228 -178.634 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.26 -41.79 66.34 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.709 -0.478 . . . . 10.0 109.709 179.23 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -67.71 -38.27 83.39 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.723 -0.671 . . . . 10.0 110.791 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -62.8 -37.47 86.86 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.836 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 7.0 tp -62.34 -42.98 99.83 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.749 -0.463 . . . . 10.0 109.749 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -68.47 -34.59 76.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.7 -0.682 . . . . 10.0 109.832 178.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 135' ' ' ARG . . . . . 0.513 ' HG3' ' HB3' ' B' ' 161' ' ' ARG . 6.6 tmm_? -61.28 -42.59 98.9 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.666 -0.697 . . . . 10.0 110.251 179.172 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 65.4 m -62.6 -33.68 75.48 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.123 -0.49 . . . . 10.0 110.828 179.567 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 21.8 m-30 -75.38 -32.14 60.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.834 -0.621 . . . . 10.0 109.845 179.085 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 94.77 26.31 13.31 Favored Glycine 0 N--CA 1.447 -0.571 0 N-CA-C 111.499 -0.64 . . . . 10.0 111.499 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 139' ' ' ILE . . . . . 0.606 ' HB ' ' HD2' ' C' ' 140' ' ' PRO . 29.2 pt -124.65 167.14 16.68 Favored Pre-proline 0 C--O 1.238 0.476 0 N-CA-C 110.49 -0.189 . . . . 10.0 110.49 -179.273 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 140' ' ' PRO . . . . . 0.606 ' HD2' ' HB ' ' C' ' 139' ' ' ILE . 86.7 Cg_endo -84.12 166.26 12.82 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.706 2.271 . . . . 10.0 112.802 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 141' ' ' PHE . . . . . 0.605 ' HD1' ' HB3' ' C' ' 113' ' ' LEU . 60.6 t80 -148.59 114.94 5.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.536 -0.756 . . . . 10.0 110.295 179.651 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 71.9 mt -117.95 135.84 57.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.018 0.437 . . . . 10.0 110.573 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 143' ' ' GLU . . . . . 0.405 ' HB3' ' SG ' ' C' ' 118' ' ' CYS . 37.3 mt-10 -69.27 140.14 54.42 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.459 -0.571 . . . . 10.0 109.459 179.075 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 144' ' ' THR . . . . . 0.461 HG22 HG22 ' C' ' 152' ' ' VAL . 0.0 OUTLIER -139.52 158.94 43.28 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.846 0.684 . . . . 10.0 112.846 -178.767 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 2.1 t -155.05 128.89 8.68 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.505 -0.77 . . . . 10.0 109.521 179.292 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -78.43 -14.25 59.47 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.228 0.537 . . . . 10.0 110.364 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -80.2 -48.34 13.26 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.68 -0.691 . . . . 10.0 111.019 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 148' ' ' THR . . . . . 0.404 ' HB ' ' HG3' ' C' ' 150' ' ' GLN . 38.8 p -90.87 -25.45 19.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.35 -0.386 . . . . 10.0 111.297 -179.261 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 9.6 ttt85 67.16 18.08 10.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.657 -0.701 . . . . 10.0 111.69 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 150' ' ' GLN . . . . . 0.404 ' HG3' ' HB ' ' C' ' 148' ' ' THR . 78.0 mt-30 -77.86 123.98 27.42 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.919 -0.582 . . . . 10.0 111.064 -179.661 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 74.5 -0.84 54.07 Favored Glycine 0 CA--C 1.517 0.187 0 CA-C-N 115.894 -0.594 . . . . 10.0 113.476 179.183 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 152' ' ' VAL . . . . . 0.461 HG22 HG22 ' C' ' 144' ' ' THR . 99.5 t -66.89 -45.55 87.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 120.55 0.214 . . . . 10.0 111.323 -179.131 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -57.76 -51.01 71.32 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.893 -0.594 . . . . 10.0 111.489 -179.007 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -69.69 -35.37 75.03 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.418 0.525 . . . . 10.0 112.418 -179.262 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -55.91 -42.39 75.96 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.669 0.271 . . . . 10.0 110.879 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 156' ' ' PHE . . . . . 0.505 ' HZ ' ' HB3' ' C' ' 19' ' ' LEU . 12.8 m-85 -67.3 -40.57 86.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.683 179.481 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 16.6 m-30 -68.71 -30.37 69.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.721 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 88.5 m -60.97 -33.2 72.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.994 -0.548 . . . . 10.0 111.479 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 159' ' ' LEU . . . . . 0.458 HD22 HD13 ' C' ' 79' ' ' LEU . 39.0 tp -63.57 -45.46 90.35 Favored 'General case' 0 C--O 1.23 0.078 0 CA-C-O 120.965 0.412 . . . . 10.0 110.072 179.361 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 79.4 t -64.86 -38.76 83.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.662 -0.699 . . . . 10.0 109.442 179.293 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 -61.67 -40.25 94.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.266 -0.879 . . . . 10.0 110.912 179.664 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -65.19 -36.6 84.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.427 -0.351 . . . . 10.0 110.99 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 163' ' ' ILE . . . . . 0.425 HG22 ' HE3' ' C' ' 167' ' ' LYS . 72.3 mt -64.57 -39.69 86.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.055 -0.72 . . . . 10.0 109.055 178.675 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 164' ' ' ARG . . . . . 0.467 ' NH1' ' HB2' ' C' ' 47' ' ' ASP . 69.7 mtt180 -65.41 -41.52 93.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.552 -0.749 . . . . 10.0 109.805 178.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 46.7 mtpt -63.59 -37.8 88.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.639 -0.71 . . . . 10.0 110.514 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 -61.82 -45.99 91.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.098 0.475 . . . . 10.0 110.547 179.598 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 167' ' ' LYS . . . . . 0.425 ' HE3' HG22 ' C' ' 163' ' ' ILE . 94.0 mttt . . . . . 0 C--N 1.326 -0.447 0 CA-C-O 121.217 0.532 . . . . 10.0 110.392 179.369 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 5.5 tmtm? . . . . . 0 C--O 1.233 0.193 0 CA-C-O 121.014 0.435 . . . . 10.0 111.297 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 74.1 mt -68.36 -19.86 64.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.032 -0.531 . . . . 10.0 111.475 -179.328 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 6.3 mp -86.83 -43.19 12.66 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.169 0.509 . . . . 10.0 109.94 179.675 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -61.22 -43.96 98.04 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.508 -0.769 . . . . 10.0 110.473 179.544 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -74.23 -22.41 59.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.848 -0.614 . . . . 10.0 111.985 -179.633 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 79.6 t90 -69.58 -38.2 77.25 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.375 -0.602 . . . . 10.0 109.375 179.207 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -60.62 -30.99 70.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.537 -0.756 . . . . 10.0 110.688 179.557 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 1.1 m -67.43 -24.0 65.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.214 179.127 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 24.3 t -82.06 -43.85 19.64 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 CA-C-N 116.007 -0.542 . . . . 10.0 109.704 179.259 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -61.6 -40.28 94.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.966 179.618 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 1.6 p -64.8 -39.83 94.23 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.667 -0.494 . . . . 10.0 109.667 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 213' ' ' THR . . . . . 0.43 ' O ' ' HG ' ' A' ' 217' ' ' LEU . 99.5 m -65.92 -45.38 82.13 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.615 -0.72 . . . . 10.0 109.62 178.532 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -59.31 -38.69 80.88 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.485 179.065 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 215' ' ' SER . . . . . 0.513 ' O ' ' HG3' ' A' ' 219' ' ' GLU . 57.7 m -61.94 -52.16 65.18 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.349 179.109 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 35.2 mmtt -60.06 -40.04 88.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.201 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 217' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 213' ' ' THR . 94.3 mt -63.49 -50.12 70.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.779 -0.646 . . . . 10.0 110.684 179.211 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 37.8 mtt180 -60.39 -35.61 76.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 10.0 111.484 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 219' ' ' GLU . . . . . 0.513 ' HG3' ' O ' ' A' ' 215' ' ' SER . 57.9 mt-10 -67.17 -46.85 72.74 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.115 178.799 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -67.35 -34.46 77.37 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.479 179.519 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 221' ' ' LEU . . . . . 0.424 ' HA ' ' HB ' ' A' ' 224' ' ' VAL . 28.0 mt -58.29 -27.67 64.28 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.832 -0.622 . . . . 10.0 111.973 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -59.0 -71.6 0.74 Allowed Glycine 0 N--CA 1.449 -0.449 0 N-CA-C 110.261 -1.136 . . . . 10.0 110.261 178.525 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -55.35 -32.34 81.03 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.429 2.086 . . . . 10.0 111.469 178.038 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 224' ' ' VAL . . . . . 0.438 ' O ' ' HB2' ' A' ' 228' ' ' PHE . 14.1 t -61.65 -53.02 53.95 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.207 0 N-CA-C 109.841 -0.429 . . . . 10.0 109.841 178.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 22.7 m -64.47 -36.36 83.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.39 -0.368 . . . . 10.0 110.352 179.537 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -62.58 -50.59 70.7 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.215 -0.448 . . . . 10.0 111.243 179.657 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -71.53 -33.4 69.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.964 0.412 . . . . 10.0 110.287 179.567 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 228' ' ' PHE . . . . . 0.438 ' HB2' ' O ' ' A' ' 224' ' ' VAL . 0.4 OUTLIER -62.76 -47.86 81.71 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.45 -0.574 . . . . 10.0 109.45 178.532 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -64.41 -37.14 86.47 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.879 -0.601 . . . . 10.0 109.839 178.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -60.72 -50.99 71.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.8 -0.636 . . . . 10.0 110.503 179.143 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 231' ' ' ASN . . . . . 0.743 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 86.8 m-20 -66.42 -35.1 79.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.189 -0.46 . . . . 10.0 110.398 179.266 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 32.5 mt -64.34 -38.12 89.92 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.145 -0.687 . . . . 10.0 109.145 178.197 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 233' ' ' GLU . . . . . 0.56 ' HA ' ' OG1' ' A' ' 236' ' ' THR . 5.8 mm-40 -66.74 -33.66 76.12 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 116.136 -0.484 . . . . 10.0 111.213 179.183 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 234' ' ' LYS . . . . . 0.743 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 59.4 mttt -67.92 -33.73 75.25 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.533 -0.914 . . . . 10.0 108.533 178.312 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 235' ' ' GLU . . . . . 0.454 ' O ' ' HG ' ' A' ' 239' ' ' LEU . 0.6 OUTLIER -74.2 -49.72 22.29 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.113 -0.949 . . . . 10.0 109.85 179.051 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 236' ' ' THR . . . . . 0.56 ' OG1' ' HA ' ' A' ' 233' ' ' GLU . 8.0 p -62.19 -38.44 89.12 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.26 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -62.79 -41.21 99.16 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 108.611 -0.885 . . . . 10.0 108.611 178.425 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -63.63 -43.83 97.36 Favored Glycine 0 N--CA 1.445 -0.738 0 N-CA-C 109.53 -1.428 . . . . 10.0 109.53 177.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 239' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 235' ' ' GLU . 84.6 mt -64.46 -29.82 70.86 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.891 0.377 . . . . 10.0 110.332 178.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 55.4 mtt180 -73.62 -41.15 63.19 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.576 -0.528 . . . . 10.0 109.576 178.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -68.96 -36.78 78.29 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.539 -0.911 . . . . 10.0 108.539 178.188 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -69.55 -27.36 65.08 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.051 -0.977 . . . . 10.0 110.092 178.41 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 243' ' ' MET . . . . . 0.73 ' HG3' HD12 ' A' ' 247' ' ' LEU . 56.7 ttm -63.04 -31.59 72.76 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.286 -0.635 . . . . 10.0 109.286 179.168 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 2.0 m -81.42 10.48 5.66 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 115.537 -0.756 . . . . 10.0 110.517 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 37.2 mmtm -130.3 -61.58 0.97 Allowed 'General case' 0 C--O 1.224 -0.273 0 CA-C-N 115.546 -0.752 . . . . 10.0 109.127 178.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 246' ' ' ASP . . . . . 0.614 ' O ' ' HB ' ' A' ' 250' ' ' VAL . 0.4 OUTLIER -55.17 -64.07 0.96 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.7 -0.682 . . . . 10.0 111.124 179.824 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 247' ' ' LEU . . . . . 0.73 HD12 ' HG3' ' A' ' 243' ' ' MET . 69.8 mt -72.67 -36.15 67.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.802 -0.635 . . . . 10.0 112.3 -178.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -63.06 -52.74 61.57 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 120.964 -0.294 . . . . 10.0 111.091 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -70.72 -34.36 71.82 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 121.109 -0.236 . . . . 10.0 110.86 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 250' ' ' VAL . . . . . 0.748 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 0.3 OUTLIER -63.18 -34.63 67.97 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.295 0 C-N-CA 120.871 -0.332 . . . . 10.0 110.771 179.679 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 251' ' ' LYS . . . . . 0.454 ' O ' HG12 ' A' ' 254' ' ' VAL . 93.0 mttt -83.41 -28.06 29.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.559 -0.291 . . . . 10.0 110.908 179.235 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -77.46 -37.99 50.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.022 0.439 . . . . 10.0 110.437 179.204 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -88.03 -17.4 31.24 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.793 -0.64 . . . . 10.0 111.653 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 254' ' ' VAL . . . . . 0.748 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 1.4 p -63.65 -24.28 35.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.898 0.38 . . . . 10.0 109.986 179.042 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 255' ' ' GLN . . . . . 0.516 ' HB2' ' CD ' ' A' ' 256' ' ' PRO . 28.1 mt-30 -62.83 -64.21 3.29 Favored Pre-proline 0 N--CA 1.45 -0.456 0 CA-C-N 115.723 -0.671 . . . . 10.0 110.709 179.517 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 256' ' ' PRO . . . . . 0.516 ' CD ' ' HB2' ' A' ' 255' ' ' GLN . 31.1 Cg_endo -65.55 -28.05 53.48 Favored 'Trans proline' 0 C--N 1.358 1.059 0 C-N-CA 121.894 1.729 . . . . 10.0 111.642 178.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -65.09 -54.29 32.27 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 109.4 -0.593 . . . . 10.0 109.4 179.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 65.0 mt -69.04 -36.57 77.86 Favored 'General case' 0 C--O 1.218 -0.556 0 CA-C-N 115.856 -0.611 . . . . 10.0 110.157 179.391 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 259' ' ' ASP . . . . . 0.412 ' O ' ' HB2' ' A' ' 263' ' ' LYS . 4.7 t70 -56.03 -43.65 77.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.927 0.394 . . . . 10.0 111.316 179.604 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -68.39 -50.57 52.03 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.119 -0.491 . . . . 10.0 111.048 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -67.02 -40.47 87.27 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.675 0.62 . . . . 10.0 112.675 -179.236 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -63.95 -41.69 97.53 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.861 -0.422 . . . . 10.0 109.861 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 263' ' ' LYS . . . . . 0.497 ' O ' ' HG3' ' A' ' 267' ' ' GLU . 2.2 ttmp? -64.31 -50.05 69.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.646 -0.706 . . . . 10.0 109.438 178.578 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 264' ' ' LYS . . . . . 0.707 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 60.0 mttt -61.07 -43.63 98.59 Favored 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 115.593 -0.731 . . . . 10.0 110.961 179.51 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 6.8 m95 -59.38 -40.94 88.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.888 0.375 . . . . 10.0 110.204 178.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 266' ' ' GLN . . . . . 0.412 ' O ' ' HG3' ' A' ' 270' ' ' GLU . 51.4 mt-30 -65.5 -44.08 88.14 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 109.406 -0.59 . . . . 10.0 109.406 178.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 267' ' ' GLU . . . . . 0.497 ' HG3' ' O ' ' A' ' 263' ' ' LYS . 38.7 mt-10 -63.59 -40.56 97.24 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.612 -0.514 . . . . 10.0 109.612 178.704 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 268' ' ' GLU . . . . . 0.545 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 20.4 mt-10 -61.5 -44.62 96.74 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.007 -0.542 . . . . 10.0 109.71 178.489 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 87.8 mmm -68.06 -37.9 81.83 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.523 -0.762 . . . . 10.0 110.628 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 270' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 266' ' ' GLN . 78.0 mt-10 -61.19 -45.77 93.22 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 109.567 -0.531 . . . . 10.0 109.567 178.435 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 96.6 mt -66.67 -38.84 87.64 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.617 -0.72 . . . . 10.0 110.029 179.381 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 272' ' ' TYR . . . . . 0.495 ' HD1' ' HA ' ' A' ' 272' ' ' TYR . 0.2 OUTLIER -66.7 -39.87 88.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.972 0.415 . . . . 10.0 110.905 179.16 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 273' ' ' ARG . . . . . 0.433 ' O ' HG12 ' A' ' 276' ' ' VAL . 46.9 mtt180 -73.3 -24.27 60.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 10.0 110.656 179.156 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -80.19 -44.31 20.03 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.245 -0.65 . . . . 10.0 109.245 178.123 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 275' ' ' LYS . . . . . 0.748 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 10.0 mptt -65.83 -37.08 85.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.553 -0.748 . . . . 10.0 110.943 179.415 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 276' ' ' VAL . . . . . 0.433 HG12 ' O ' ' A' ' 273' ' ' ARG . 1.2 p -59.48 -24.29 27.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 112.359 0.503 . . . . 10.0 112.359 -179.455 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 277' ' ' GLU . . . . . 0.522 ' HB2' ' CD ' ' A' ' 278' ' ' PRO . 7.1 mm-40 -62.22 -64.95 2.47 Favored Pre-proline 0 CA--C 1.536 0.407 0 C-N-CA 121.078 -0.249 . . . . 10.0 110.915 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 278' ' ' PRO . . . . . 0.522 ' CD ' ' HB2' ' A' ' 277' ' ' GLU . 31.9 Cg_endo -65.91 -33.27 43.18 Favored 'Trans proline' 0 C--N 1.355 0.89 0 C-N-CA 121.572 1.514 . . . . 10.0 111.085 178.563 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 279' ' ' LEU . . . . . 0.748 ' HG ' ' O ' ' A' ' 275' ' ' LYS . 10.7 mt -62.93 -44.43 96.1 Favored 'General case' 0 CA--C 1.523 -0.085 0 CA-C-N 116.556 -0.293 . . . . 10.0 110.896 179.797 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 -67.3 -37.45 83.38 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 109.544 -0.539 . . . . 10.0 109.544 179.086 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -61.98 -49.32 76.57 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.436 -0.579 . . . . 10.0 109.436 178.707 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -62.92 -45.35 92.92 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 116.15 -0.477 . . . . 10.0 110.23 178.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 10.3 mt -61.56 -32.81 72.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.544 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -73.61 -53.25 10.92 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.313 179.029 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -59.7 -46.51 88.85 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.133 0.492 . . . . 10.0 110.096 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -62.05 -43.48 99.09 Favored Glycine 0 N--CA 1.444 -0.773 0 CA-C-N 115.418 -0.81 . . . . 10.0 111.642 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -64.17 -42.2 96.81 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 110.109 -0.33 . . . . 10.0 110.109 178.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 81.7 mtt180 -57.43 -49.44 76.23 Favored 'General case' 0 C--N 1.333 -0.129 0 N-CA-C 109.853 -0.425 . . . . 10.0 109.853 179.004 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -61.58 -49.25 77.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.651 -0.704 . . . . 10.0 110.676 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 55.6 mttp -64.56 -34.03 77.29 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.181 -0.463 . . . . 10.0 111.241 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 20.7 mt -71.9 -40.19 69.04 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 109.263 -0.644 . . . . 10.0 109.263 178.255 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -36.4 83.83 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.291 -0.633 . . . . 10.0 109.291 178.375 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.41 -38.94 85.59 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.738 -0.838 . . . . 10.0 108.738 178.014 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 294' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 294' ' ' LEU . 7.9 mt -72.59 -45.55 58.58 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-N 115.681 -0.691 . . . . 10.0 110.557 179.097 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -61.07 -35.98 78.41 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.133 0.42 . . . . 10.0 112.133 -179.416 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -73.22 -1.21 16.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.948 0.404 . . . . 10.0 110.89 179.093 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 297' ' ' LYS . . . . . 0.471 ' O ' ' HB2' ' A' ' 301' ' ' LEU . 22.9 mmtp -121.79 -41.94 2.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.974 179.37 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 37.8 mt -61.06 -24.33 66.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.436 -0.347 . . . . 10.0 111.785 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 299' ' ' SER . . . . . 0.494 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 4.2 m -83.48 -63.78 0.25 Allowed Pre-proline 0 CA--C 1.538 0.509 0 N-CA-C 112.078 0.399 . . . . 10.0 112.078 179.679 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 300' ' ' PRO . . . . . 0.494 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 32.4 Cg_endo -64.41 -46.87 6.68 Favored 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 121.732 1.621 . . . . 10.0 112.139 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 301' ' ' LEU . . . . . 0.499 HD13 ' HG2' ' D' ' 473' ' ' LYS . 90.8 mt -71.96 -29.07 63.87 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 110.024 -0.361 . . . . 10.0 110.024 179.469 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -68.08 -47.24 60.63 Favored Glycine 0 N--CA 1.449 -0.458 0 N-CA-C 110.696 -0.962 . . . . 10.0 110.696 179.069 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -63.38 -41.98 98.82 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.98 -0.378 . . . . 10.0 109.98 178.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.02 -37.17 85.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.073 -0.512 . . . . 10.0 109.656 179.081 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 305' ' ' MET . . . . . 0.442 ' HB2' ' O ' ' A' ' 301' ' ' LEU . 11.7 tpt -62.02 -35.75 79.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.878 -0.601 . . . . 10.0 109.521 179.132 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 306' ' ' ARG . . . . . 0.477 ' O ' ' HG3' ' A' ' 310' ' ' ARG . 48.4 mtt180 -78.22 -37.26 45.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.888 -0.597 . . . . 10.0 109.941 178.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 307' ' ' ASP . . . . . 0.552 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 36.2 t70 -63.61 -45.75 88.9 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.599 -0.519 . . . . 10.0 109.599 178.599 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 308' ' ' ARG . . . . . 0.512 ' HG3' HD11 ' D' ' 469' ' ' LEU . 19.0 mmt180 -66.87 -32.58 73.94 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 108.985 -0.746 . . . . 10.0 108.985 178.166 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 309' ' ' ALA . . . . . 0.42 ' O ' HG23 ' A' ' 313' ' ' VAL . . . -64.82 -36.6 84.87 Favored 'General case' 0 CA--C 1.522 -0.126 0 N-CA-C 109.068 -0.715 . . . . 10.0 109.068 177.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 310' ' ' ARG . . . . . 0.552 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 81.5 mtt180 -59.92 -47.81 84.25 Favored 'General case' 0 C--O 1.22 -0.461 0 N-CA-C 108.878 -0.786 . . . . 10.0 108.878 178.444 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -66.92 -34.0 76.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.758 -0.655 . . . . 10.0 110.098 179.024 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -61.52 -50.75 71.45 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.422 -0.584 . . . . 10.0 109.422 178.76 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 313' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 309' ' ' ALA . 43.8 t -73.11 -30.21 30.88 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 CA-C-N 115.518 -0.765 . . . . 10.0 110.145 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 314' ' ' ASP . . . . . 0.409 ' HA ' ' NH2' ' A' ' 317' ' ' ARG . 11.9 t70 -61.51 -47.94 83.32 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.824 -0.436 . . . . 10.0 109.824 179.018 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -64.86 -38.57 91.43 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.132 -0.692 . . . . 10.0 109.132 178.318 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 28.7 mt -63.12 -51.87 64.82 Favored 'General case' 0 C--O 1.219 -0.507 0 CA-C-N 115.604 -0.725 . . . . 10.0 110.618 178.758 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 317' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 317' ' ' ARG . 42.1 mtm105 -59.04 -41.95 89.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.959 0.409 . . . . 10.0 110.971 179.463 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 56.0 m -64.88 -20.43 66.43 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.771 -0.65 . . . . 10.0 110.96 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 319' ' ' HIS . . . . . 0.443 ' CE1' ' HB2' ' D' ' 458' ' ' ASP . 11.7 m80 -100.3 -33.85 10.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.34 -0.391 . . . . 10.0 111.279 179.143 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 72.4 mt -66.71 -39.8 88.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.551 -0.295 . . . . 10.0 111.234 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -54.85 -56.78 23.88 Favored Pre-proline 0 CA--C 1.535 0.373 0 O-C-N 123.239 0.337 . . . . 10.0 111.793 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -66.41 -37.75 22.32 Favored 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 121.514 1.476 . . . . 10.0 111.862 178.002 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 10.3 m-30 -58.6 -52.5 65.41 Favored 'General case' 0 C--O 1.226 -0.168 0 CA-C-N 116.559 -0.292 . . . . 10.0 111.116 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 324' ' ' SER . . . . . 0.411 ' HA ' ' HB2' ' A' ' 327' ' ' LEU . 11.6 p -65.34 -40.37 93.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.515 -0.311 . . . . 10.0 110.932 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -61.25 -42.0 97.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.063 0.459 . . . . 10.0 110.579 179.556 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -77.45 -25.39 50.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.969 -0.56 . . . . 10.0 110.177 178.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 327' ' ' LEU . . . . . 0.63 HD23 ' HD2' ' A' ' 330' ' ' ARG . 9.4 mt -69.69 -34.16 73.55 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 109.569 -0.53 . . . . 10.0 109.569 178.326 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 69.7 mtt180 -61.05 -40.77 94.89 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 108.863 -0.791 . . . . 10.0 108.863 178.559 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -63.63 -40.43 96.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.456 -0.793 . . . . 10.0 109.11 178.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 330' ' ' ARG . . . . . 0.804 HH22 HG23 ' D' ' 448' ' ' VAL . 44.0 mtt180 -62.01 -51.73 66.82 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 109.04 -0.726 . . . . 10.0 109.04 178.33 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 331' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 327' ' ' LEU . 94.8 mt -56.15 -46.16 79.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.552 -0.749 . . . . 10.0 110.213 179.638 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -59.51 -48.83 80.14 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.375 179.444 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -60.2 -47.93 83.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.505 . . . . 10.0 110.629 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -60.86 -46.78 89.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.636 -0.711 . . . . 10.0 110.099 179.396 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 335' ' ' LEU . . . . . 0.589 ' O ' ' HB2' ' A' ' 339' ' ' LYS . 52.1 mt -61.21 -46.03 92.12 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 115.982 -0.554 . . . . 10.0 111.501 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -65.19 -45.59 84.2 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 123.237 0.336 . . . . 10.0 111.097 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -64.78 -51.02 64.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.489 -0.323 . . . . 10.0 110.569 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 90.8 mt -68.62 -15.36 63.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 10.0 112.055 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 339' ' ' LYS . . . . . 0.589 ' HB2' ' O ' ' A' ' 335' ' ' LEU . 70.4 tttt -85.47 -47.91 9.48 Favored 'General case' 0 CA--C 1.519 -0.224 0 N-CA-C 109.224 -0.658 . . . . 10.0 109.224 178.593 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -63.34 -49.74 72.71 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 109.199 -0.667 . . . . 10.0 109.199 178.353 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 341' ' ' ASN . . . . . 0.517 ' O ' ' HG3' ' A' ' 345' ' ' ARG . 14.6 t-20 -66.51 -37.07 84.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.596 -0.729 . . . . 10.0 109.281 178.144 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -61.68 -41.82 99.66 Favored Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 115.614 -0.721 . . . . 10.0 111.339 178.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -66.42 -39.86 94.27 Favored Glycine 0 N--CA 1.448 -0.512 0 N-CA-C 110.462 -1.055 . . . . 10.0 110.462 178.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -61.79 -43.25 99.23 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.942 -0.762 . . . . 10.0 108.942 178.207 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 345' ' ' ARG . . . . . 0.517 ' HG3' ' O ' ' A' ' 341' ' ' ASN . 32.5 mtm180 -64.9 -41.44 95.59 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 115.582 -0.736 . . . . 10.0 110.007 178.699 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 57.7 mt -61.3 -46.29 90.92 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.542 -0.299 . . . . 10.0 110.631 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -63.88 -40.66 97.05 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.07 179.175 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -67.61 -43.62 80.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.082 0.467 . . . . 10.0 110.492 178.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -62.5 -38.31 89.41 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.097 -0.501 . . . . 10.0 110.545 179.221 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -66.15 -39.66 89.98 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 120.96 0.409 . . . . 10.0 110.073 179.041 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -63.89 -47.83 79.08 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 109.023 -0.732 . . . . 10.0 109.023 178.562 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 15.7 mttm -61.77 -38.3 87.52 Favored 'General case' 0 N--CA 1.461 0.088 0 CA-C-N 115.582 -0.735 . . . . 10.0 110.012 178.653 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -62.64 -45.73 91.51 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.886 -0.413 . . . . 10.0 109.886 179.117 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 27.1 m -61.31 -39.29 89.92 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 109.411 -0.589 . . . . 10.0 109.411 178.648 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -66.19 -48.22 71.4 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 109.752 -0.462 . . . . 10.0 109.752 178.443 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -59.55 -37.12 77.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.827 178.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 55.8 mt -68.12 -36.15 79.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.967 0.413 . . . . 10.0 110.047 178.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 50.9 m -64.89 -44.64 88.94 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.01 179.033 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 359' ' ' THR . . . . . 0.651 HG22 ' HD2' ' D' ' 414' ' ' LYS . 0.0 OUTLIER -72.43 -26.75 61.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.174 0.511 . . . . 10.0 109.921 178.592 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 51.5 tp -69.7 -31.76 69.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.65 -0.704 . . . . 10.0 109.112 178.42 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 24.0 m -62.97 -32.77 74.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.648 -0.706 . . . . 10.0 109.42 178.742 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -68.55 -20.06 64.53 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.59 -0.732 . . . . 10.0 110.095 179.014 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 363' ' ' LYS . . . . . 0.778 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 85.7 mttt -93.74 -47.28 6.85 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.862 -0.608 . . . . 10.0 109.464 178.736 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -62.78 -32.04 73.13 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 113.267 0.84 . . . . 10.0 113.267 -178.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 365' ' ' LYS . . . . . 0.878 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 61.0 mttt -107.92 -73.32 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.437 0 N-CA-C 113.886 1.069 . . . . 10.0 113.886 -179.535 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 366' ' ' PRO . . . . . 0.878 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 35.0 Cg_exo -58.87 -54.8 2.43 Favored 'Trans proline' 0 C--N 1.355 0.885 0 C-N-CA 122.155 1.904 . . . . 10.0 113.571 -179.537 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 367' ' ' ALA . . . . . 0.778 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -61.91 -44.03 97.62 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 111.606 0.224 . . . . 10.0 111.606 -179.206 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 368' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 368' ' ' LEU . 1.0 OUTLIER -66.68 -35.0 79.11 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 110.334 -0.247 . . . . 10.0 110.334 179.389 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -62.05 -49.15 77.13 Favored 'General case' 0 CA--C 1.512 -0.509 0 N-CA-C 108.382 -0.97 . . . . 10.0 108.382 178.709 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -60.17 -38.73 84.1 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.886 -1.052 . . . . 10.0 110.301 179.221 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 18.4 mt -64.66 -47.56 78.01 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.016 178.402 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 372' ' ' ARG . . . . . 0.621 ' O ' ' HG ' ' A' ' 376' ' ' LEU . 87.4 mtt180 -62.15 -47.04 86.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.165 179.345 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -58.44 -33.75 70.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.613 -0.721 . . . . 10.0 111.445 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -85.36 -33.24 17.57 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.738 -0.744 . . . . 10.0 111.977 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 27.2 mt -69.27 -32.3 71.39 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.848 0.314 . . . . 10.0 111.848 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 376' ' ' LEU . . . . . 0.621 ' HG ' ' O ' ' A' ' 372' ' ' ARG . 95.2 mt -52.48 -62.21 3.57 Favored Pre-proline 0 CA--C 1.534 0.36 0 N-CA-C 112.457 0.54 . . . . 10.0 112.457 -179.809 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -63.86 -30.67 68.08 Favored 'Trans proline' 0 C--N 1.355 0.913 0 C-N-CA 121.728 1.619 . . . . 10.0 111.212 179.167 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 10.5 t -63.31 -45.85 97.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 N-CA-C 109.558 -0.534 . . . . 10.0 109.558 179.088 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 379' ' ' LEU . . . . . 0.468 ' O ' ' HG3' ' A' ' 383' ' ' LYS . 96.6 mt -64.25 -34.69 78.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.093 -0.503 . . . . 10.0 109.812 179.013 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 380' ' ' GLU . . . . . 0.587 ' HG3' ' O ' ' A' ' 376' ' ' LEU . 35.2 mt-10 -63.63 -46.25 86.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.314 179.299 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 1.5 p -68.57 -31.06 69.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.971 0.415 . . . . 10.0 110.176 178.747 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -64.25 -44.21 92.51 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 108.851 -0.796 . . . . 10.0 108.851 178.309 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 383' ' ' LYS . . . . . 0.468 ' HG3' ' O ' ' A' ' 379' ' ' LEU . 91.1 mttt -55.88 -50.7 69.92 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 115.62 -0.718 . . . . 10.0 109.185 178.275 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 89.9 t -56.86 -44.64 82.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.616 -0.72 . . . . 10.0 110.572 179.38 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 16.3 m -66.67 -36.56 82.82 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.296 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -71.63 -47.33 55.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.511 -0.313 . . . . 10.0 111.013 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 387' ' ' LEU . . . . . 0.466 ' O ' ' HG3' ' A' ' 391' ' ' GLU . 80.1 mt -60.33 -45.42 93.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.117 -0.492 . . . . 10.0 111.705 -179.377 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 388' ' ' SER . . . . . 0.675 ' HB2' ' HE2' ' D' ' 594' ' ' LYS . 9.7 p -65.8 -37.49 86.42 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.785 0.326 . . . . 10.0 110.781 179.676 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -64.39 -42.22 96.23 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.289 0.566 . . . . 10.0 109.496 179.168 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 90.6 mt -60.86 -40.08 91.57 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.484 -0.78 . . . . 10.0 109.444 178.474 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 391' ' ' GLU . . . . . 0.466 ' HG3' ' O ' ' A' ' 387' ' ' LEU . 50.6 mt-10 -61.45 -44.82 96.44 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.951 -0.568 . . . . 10.0 109.968 178.416 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -57.78 -45.87 85.39 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.257 -0.428 . . . . 10.0 110.786 179.403 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 393' ' ' TYR . . . . . 0.432 ' O ' ' HB2' ' A' ' 397' ' ' LEU . 20.8 m-85 -63.56 -36.65 84.48 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.165 0.507 . . . . 10.0 110.757 179.362 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 8.6 m -75.4 -23.29 57.04 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.092 0.473 . . . . 10.0 111.522 -179.588 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -91.19 -39.36 12.16 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 112.489 0.552 . . . . 10.0 112.489 -179.415 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 396' ' ' LYS . . . . . 0.809 ' HG2' ' HB2' ' D' ' 587' ' ' ALA . 13.8 mptt -91.69 -26.4 18.65 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 113.595 0.961 . . . . 10.0 113.595 -177.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 397' ' ' LEU . . . . . 0.432 ' HB2' ' O ' ' A' ' 393' ' ' TYR . 29.2 mt -108.76 11.05 26.59 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.874 -0.331 . . . . 10.0 111.664 -179.654 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 18.5 t30 . . . . . 0 C--N 1.321 -0.652 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.096 -179.924 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 CA--C 1.52 -0.181 0 CA-C-O 121.362 0.601 . . . . 10.0 110.453 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.63 30.8 1.46 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.417 -0.811 . . . . 10.0 110.841 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 85.0 mt -62.63 -47.87 81.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.975 -0.557 . . . . 10.0 109.664 179.415 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 33.8 mt -64.97 -35.17 80.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.883 -0.599 . . . . 10.0 110.388 178.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -64.33 -43.43 94.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.434 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -73.32 -40.12 64.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.06 179.098 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -36.44 78.39 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.424 179.577 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -59.39 -48.04 83.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.238 179.349 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.89 -42.39 99.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.594 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 98.8 t -62.78 -44.1 99.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.811 -0.632 . . . . 10.0 110.416 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 24.3 m -65.95 -36.39 83.21 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.433 179.054 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 36.1 m -64.05 -33.13 75.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.049 -0.523 . . . . 10.0 110.945 179.323 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -69.33 -31.81 70.5 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.839 -0.43 . . . . 10.0 109.839 178.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -67.79 -34.13 76.16 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 109.593 -0.521 . . . . 10.0 109.593 178.552 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 413' ' ' SER . . . . . 0.433 ' O ' ' HG3' ' D' ' 417' ' ' GLU . 9.7 m -63.48 -45.25 91.64 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 108.3 -1.0 . . . . 10.0 108.3 178.108 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 414' ' ' LYS . . . . . 0.651 ' HD2' HG22 ' A' ' 359' ' ' THR . 23.4 mmtt -65.35 -35.37 80.77 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 115.553 -0.749 . . . . 10.0 110.165 178.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 2.2 mt -64.71 -42.73 95.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.889 -0.596 . . . . 10.0 109.609 178.696 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 416' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' D' ' 416' ' ' ARG . 54.7 mtt180 -67.21 -38.22 84.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.811 -0.632 . . . . 10.0 109.972 179.031 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 417' ' ' GLU . . . . . 0.433 ' HG3' ' O ' ' D' ' 413' ' ' SER . 35.1 mt-10 -62.14 -37.47 85.3 Favored 'General case' 0 C--O 1.223 -0.31 0 N-CA-C 109.181 -0.674 . . . . 10.0 109.181 178.734 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -70.08 -53.1 18.94 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 109.213 -0.662 . . . . 10.0 109.213 178.061 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 74.2 mt -45.56 -44.49 12.84 Favored 'General case' 0 C--O 1.225 -0.209 0 CA-C-N 115.145 -0.934 . . . . 10.0 112.619 -179.115 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 420' ' ' GLY . . . . . 0.486 ' O ' ' HG3' ' D' ' 424' ' ' GLN . . . -48.19 -81.86 0.04 OUTLIER Glycine 0 CA--C 1.522 0.527 0 O-C-N 123.526 0.516 . . . . 10.0 113.822 -179.61 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 421' ' ' PRO . . . . . 0.576 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 39.1 Cg_exo -58.57 -41.48 64.1 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.746 2.297 . . . . 10.0 112.618 -179.734 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 38.0 t -54.74 -48.94 72.19 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.108 0 N-CA-C 112.309 0.485 . . . . 10.0 112.309 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 50.5 p -69.45 -33.91 73.63 Favored 'General case' 0 CA--C 1.519 -0.227 0 C-N-CA 120.776 -0.37 . . . . 10.0 111.172 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 424' ' ' GLN . . . . . 0.486 ' HG3' ' O ' ' D' ' 420' ' ' GLY . 61.6 mt-30 -63.73 -50.69 68.14 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 110.026 -0.361 . . . . 10.0 110.026 179.257 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 425' ' ' GLU . . . . . 0.576 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 11.1 pt-20 -72.05 -23.27 61.35 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.037 -0.356 . . . . 10.0 110.037 178.755 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 426' ' ' PHE . . . . . 0.478 ' O ' ' HG ' ' D' ' 430' ' ' LEU . 34.9 t80 -68.94 -43.84 74.24 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 108.222 -1.029 . . . . 10.0 108.222 177.655 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 427' ' ' TRP . . . . . 0.434 ' O ' ' HG3' ' D' ' 431' ' ' GLU . 5.6 m95 -66.67 -37.64 85.19 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.323 -0.991 . . . . 10.0 108.323 178.05 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 428' ' ' ASP . . . . . 0.421 ' O ' ' HG3' ' D' ' 432' ' ' LYS . 30.1 t70 -63.01 -36.74 84.58 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.339 -0.846 . . . . 10.0 108.976 177.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -72.89 -39.71 66.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.533 -0.758 . . . . 10.0 109.145 178.06 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 430' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' D' ' 426' ' ' PHE . 65.3 mt -56.77 -43.49 80.86 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 115.656 -0.702 . . . . 10.0 109.937 179.12 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 431' ' ' GLU . . . . . 0.434 ' HG3' ' O ' ' D' ' 427' ' ' TRP . 47.9 mt-10 -62.32 -39.27 92.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.942 179.366 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 432' ' ' LYS . . . . . 0.421 ' HG3' ' O ' ' D' ' 428' ' ' ASP . 48.7 mttp -63.76 -41.48 97.99 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.173 -0.677 . . . . 10.0 109.173 178.874 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -68.97 -50.26 50.65 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 114.998 -1.001 . . . . 10.0 111.314 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 2.7 p -59.5 -47.35 85.85 Favored 'General case' 0 CA--C 1.519 -0.244 0 C-N-CA 121.141 -0.224 . . . . 10.0 110.507 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 435' ' ' GLU . . . . . 0.642 ' O ' ' HG3' ' D' ' 439' ' ' GLN . 16.0 mm-40 -62.09 -47.4 84.8 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 121.045 -0.262 . . . . 10.0 110.401 178.75 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 436' ' ' GLY . . . . . 0.469 ' O ' ' HG3' ' D' ' 440' ' ' GLU . . . -57.3 -50.34 65.45 Favored Glycine 0 C--N 1.333 0.411 0 N-CA-C 111.105 -0.798 . . . . 10.0 111.105 179.065 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 96.3 mt -62.3 -37.86 87.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.582 0.229 . . . . 10.0 110.396 178.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 72.1 mtt180 -63.17 -37.51 87.49 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.373 -0.376 . . . . 10.0 110.672 179.26 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 439' ' ' GLN . . . . . 0.642 ' HG3' ' O ' ' D' ' 435' ' ' GLU . 89.4 mt-30 -63.59 -38.48 91.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.166 0.508 . . . . 10.0 109.638 178.717 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 440' ' ' GLU . . . . . 0.469 ' HG3' ' O ' ' D' ' 436' ' ' GLY . 35.0 mt-10 -74.71 -44.64 49.02 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.02 -0.536 . . . . 10.0 109.675 178.8 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 90.9 mmm -60.3 -38.15 82.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.299 -0.864 . . . . 10.0 112.908 -178.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 2.4 p -60.74 -51.31 69.91 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.93 0.395 . . . . 10.0 110.078 179.627 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 41.6 tttp -68.08 -39.77 82.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.159 179.243 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -59.61 -54.09 50.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 10.0 110.805 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 82.5 mt -63.85 -48.9 74.89 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.318 0.488 . . . . 10.0 112.318 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -61.11 -42.91 99.4 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-O 120.673 0.273 . . . . 10.0 110.749 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 447' ' ' GLU . . . . . 0.554 ' HB3' HH21 ' A' ' 330' ' ' ARG . 21.5 tt0 -68.39 -39.31 81.74 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.542 -0.54 . . . . 10.0 109.542 178.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 448' ' ' VAL . . . . . 0.804 HG23 HH22 ' A' ' 330' ' ' ARG . 2.1 t -60.57 -37.46 75.29 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.288 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.03 178.674 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 449' ' ' LYS . . . . . 0.447 ' O ' ' HG3' ' D' ' 453' ' ' GLN . 63.8 mttt -61.38 -32.65 72.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.181 0.515 . . . . 10.0 110.166 178.418 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -91.32 -4.07 56.2 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.498 179.405 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 451' ' ' LYS . . . . . 0.428 ' HG2' ' O ' ' D' ' 447' ' ' GLU . 35.3 mmtm -99.68 -39.56 8.21 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.895 0.378 . . . . 10.0 110.241 179.468 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 71.8 t -62.97 -35.75 72.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.151 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 453' ' ' GLN . . . . . 0.555 ' HB2' ' HD3' ' D' ' 454' ' ' PRO . 71.4 mt-30 -57.97 -62.48 5.4 Favored Pre-proline 0 CA--C 1.534 0.344 0 CA-C-N 116.658 -0.246 . . . . 10.0 111.6 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 454' ' ' PRO . . . . . 0.555 ' HD3' ' HB2' ' D' ' 453' ' ' GLN . 35.5 Cg_endo -65.74 -26.65 52.81 Favored 'Trans proline' 0 C--N 1.36 1.175 0 C-N-CA 121.609 1.539 . . . . 10.0 111.709 179.587 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -67.39 -50.38 59.87 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.595 -0.52 . . . . 10.0 109.595 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 456' ' ' LEU . . . . . 0.417 ' O ' ' HB2' ' D' ' 460' ' ' GLN . 32.2 mt -65.66 -35.52 81.02 Favored 'General case' 0 C--O 1.217 -0.608 0 CA-C-N 116.065 -0.516 . . . . 10.0 109.682 178.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -65.5 -51.7 58.11 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.101 -0.499 . . . . 10.0 110.27 179.22 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 458' ' ' ASP . . . . . 0.443 ' HB2' ' CE1' ' A' ' 319' ' ' HIS . 6.8 t70 -59.38 -43.86 92.83 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.368 -0.833 . . . . 10.0 110.848 179.652 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -72.34 -46.63 54.69 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.804 -0.634 . . . . 10.0 112.163 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 460' ' ' GLN . . . . . 0.417 ' HB2' ' O ' ' D' ' 456' ' ' LEU . 36.9 mt-30 -58.83 -39.43 81.22 Favored 'General case' 0 CA--C 1.515 -0.38 0 O-C-N 122.987 0.179 . . . . 10.0 110.881 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 461' ' ' LYS . . . . . 0.463 ' O ' ' HG3' ' D' ' 465' ' ' GLU . 21.6 mttt -62.95 -41.06 99.4 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.932 -0.395 . . . . 10.0 109.932 178.776 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 18.6 mtmm -68.21 -38.04 81.5 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.627 -0.509 . . . . 10.0 109.627 178.527 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 54.8 m0 -65.57 -43.9 88.38 Favored 'General case' 0 CA--C 1.516 -0.335 0 N-CA-C 109.101 -0.703 . . . . 10.0 109.101 178.465 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -59.19 -48.32 82.06 Favored 'General case' 0 CA--C 1.516 -0.361 0 N-CA-C 109.124 -0.695 . . . . 10.0 109.124 178.657 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 465' ' ' GLU . . . . . 0.507 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 46.6 mt-10 -54.84 -57.56 11.11 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 115.721 -0.672 . . . . 10.0 110.47 179.607 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -59.93 -38.25 81.82 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.057 -0.52 . . . . 10.0 111.872 -179.503 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 42.2 ttm -65.71 -47.37 75.58 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.031 0.443 . . . . 10.0 110.926 179.546 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 76.9 mt-10 -71.24 -27.73 63.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.409 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 469' ' ' LEU . . . . . 0.512 HD11 ' HG3' ' A' ' 308' ' ' ARG . 69.2 mt -74.2 -29.33 61.69 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 108.832 -0.803 . . . . 10.0 108.832 177.553 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 2.0 m-30 -64.49 -30.95 71.98 Favored 'General case' 0 N--CA 1.461 0.091 0 N-CA-C 109.292 -0.633 . . . . 10.0 109.292 178.438 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 471' ' ' ARG . . . . . 0.401 ' HA ' ' HG3' ' D' ' 475' ' ' GLU . 93.4 mtt180 -75.86 -11.74 60.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.796 -0.638 . . . . 10.0 110.053 179.245 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -117.71 9.52 13.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.189 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 473' ' ' LYS . . . . . 0.499 ' HG2' HD13 ' A' ' 301' ' ' LEU . 78.0 mttt -135.26 -65.53 0.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.647 -0.706 . . . . 10.0 110.766 179.705 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 87.1 t -62.93 -47.21 93.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.451 -0.341 . . . . 10.0 111.089 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 475' ' ' GLU . . . . . 0.401 ' HG3' ' HA ' ' D' ' 471' ' ' ARG . 9.8 mm-40 -56.44 -58.81 14.6 Favored Pre-proline 0 CA--C 1.537 0.475 0 N-CA-C 112.406 0.521 . . . . 10.0 112.406 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -63.56 -37.81 45.4 Favored 'Trans proline' 0 C--N 1.356 0.927 0 C-N-CA 121.737 1.625 . . . . 10.0 111.771 178.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 477' ' ' LEU . . . . . 0.494 ' HB2' ' O ' ' D' ' 473' ' ' LYS . 7.1 mt -65.01 -35.01 79.8 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 109.706 -0.479 . . . . 10.0 109.706 178.648 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 478' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' D' ' 478' ' ' ARG . 0.4 OUTLIER -67.39 -39.52 85.62 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.016 -0.735 . . . . 10.0 109.016 178.519 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -63.05 -42.01 99.63 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.128 -0.693 . . . . 10.0 109.128 178.475 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.91 -37.88 79.22 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 115.389 -0.823 . . . . 10.0 109.824 178.745 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 15.2 mt -66.95 -36.51 82.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.858 -0.61 . . . . 10.0 109.725 178.592 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.0 -44.73 83.97 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.991 -0.744 . . . . 10.0 108.991 178.473 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -66.57 -41.02 89.24 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 109.327 -0.62 . . . . 10.0 109.327 178.782 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -62.47 -40.12 98.69 Favored Glycine 0 N--CA 1.448 -0.527 0 N-CA-C 110.04 -1.224 . . . . 10.0 110.04 177.66 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -65.44 -39.32 91.93 Favored 'General case' 0 CA--C 1.516 -0.341 0 N-CA-C 109.18 -0.674 . . . . 10.0 109.18 178.369 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 73.6 mtt180 -62.94 -40.83 98.84 Favored 'General case' 0 CA--C 1.52 -0.176 0 N-CA-C 109.31 -0.626 . . . . 10.0 109.31 178.361 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -66.5 -48.79 68.7 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-N 115.631 -0.713 . . . . 10.0 109.389 178.364 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -61.5 -39.9 92.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.546 179.547 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 30.7 mt -64.18 -39.55 94.23 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.438 -0.578 . . . . 10.0 109.438 178.488 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 35.5 t60 -64.56 -43.24 94.55 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.239 -1.023 . . . . 10.0 108.239 178.27 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -58.61 -46.65 86.56 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 115.593 -0.73 . . . . 10.0 109.187 177.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 87.4 mt -63.52 -40.19 96.4 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-N 115.472 -0.785 . . . . 10.0 111.261 179.312 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -59.95 -35.3 74.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.155 0.503 . . . . 10.0 110.114 178.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -78.07 11.15 2.42 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.67 -0.695 . . . . 10.0 110.667 178.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 495' ' ' LYS . . . . . 0.739 ' HE3' HD22 ' A' ' 279' ' ' LEU . 11.6 mttp -132.11 -45.0 0.93 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.559 179.194 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 496' ' ' LEU . . . . . 0.513 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 97.1 mt -60.95 -32.44 71.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.987 -0.551 . . . . 10.0 111.649 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 497' ' ' SER . . . . . 0.412 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 15.9 m -78.17 -62.64 0.5 Allowed Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 116.385 -0.37 . . . . 10.0 111.926 179.086 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 498' ' ' PRO . . . . . 0.412 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 30.0 Cg_endo -63.23 -59.78 0.21 Allowed 'Trans proline' 0 C--N 1.356 0.96 0 C-N-CA 121.985 1.79 . . . . 10.0 112.451 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 499' ' ' LEU . . . . . 0.438 ' HB2' ' O ' ' D' ' 495' ' ' LYS . 17.4 mt -65.16 -32.42 74.1 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-N 116.771 -0.195 . . . . 10.0 110.948 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 500' ' ' GLY . . . . . 0.513 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -63.5 -48.12 80.99 Favored Glycine 0 N--CA 1.445 -0.755 0 N-CA-C 110.993 -0.843 . . . . 10.0 110.993 178.681 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -67.89 -35.65 78.86 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.13 -0.693 . . . . 10.0 109.13 178.832 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 502' ' ' GLU . . . . . 0.751 ' HG2' ' HE ' ' D' ' 506' ' ' ARG . 23.5 tt0 -63.54 -47.42 81.68 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 115.522 -0.763 . . . . 10.0 110.096 179.044 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 503' ' ' MET . . . . . 0.522 ' HA ' ' HD2' ' D' ' 506' ' ' ARG . 84.0 mmm -59.49 -38.13 80.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.004 0.431 . . . . 10.0 110.072 179.007 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 504' ' ' ARG . . . . . 0.511 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 81.3 mtt180 -66.54 -40.8 89.28 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.782 -0.644 . . . . 10.0 109.57 178.57 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -68.28 -37.33 80.58 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.126 -0.488 . . . . 10.0 109.801 178.815 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 506' ' ' ARG . . . . . 0.751 ' HE ' ' HG2' ' D' ' 502' ' ' GLU . 50.1 mtt180 -63.24 -43.58 97.66 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 107.783 -1.191 . . . . 10.0 107.783 177.569 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -60.17 -40.54 90.3 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.124 -0.944 . . . . 10.0 109.462 178.395 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 508' ' ' ARG . . . . . 0.511 ' HG3' ' O ' ' D' ' 504' ' ' ARG . 83.5 mtt180 -58.54 -50.33 74.18 Favored 'General case' 0 C--O 1.222 -0.368 0 N-CA-C 108.959 -0.756 . . . . 10.0 108.959 178.374 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 509' ' ' ALA . . . . . 0.707 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -58.54 -36.15 73.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.537 -0.756 . . . . 10.0 111.913 -179.71 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 510' ' ' HIS . . . . . 0.445 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 37.1 m-70 -76.67 -49.49 16.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.656 -0.247 . . . . 10.0 110.788 179.497 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 511' ' ' VAL . . . . . 0.479 ' O ' ' HG3' ' D' ' 515' ' ' ARG . 76.4 t -63.3 -42.75 97.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.511 -0.313 . . . . 10.0 110.676 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 512' ' ' ASP . . . . . 0.699 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 16.7 t70 -60.89 -36.37 79.07 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.157 0.503 . . . . 10.0 109.781 179.354 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -69.66 -44.15 71.13 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.637 -0.875 . . . . 10.0 108.637 178.233 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 514' ' ' LEU . . . . . 0.481 ' HA ' ' HB2' ' D' ' 517' ' ' HIS . 92.1 mt -60.1 -28.47 67.87 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 116.103 -0.498 . . . . 10.0 110.799 179.045 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 515' ' ' ARG . . . . . 0.699 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 79.7 mtt180 -66.42 -29.07 69.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.945 -0.57 . . . . 10.0 110.237 178.837 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -103.86 -6.49 21.32 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 115.753 -0.658 . . . . 10.0 110.733 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 517' ' ' HIS . . . . . 0.481 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 25.0 m170 -102.09 -55.68 2.43 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.0 -0.545 . . . . 10.0 111.461 -179.672 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 86.4 mt -78.35 -54.77 5.83 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.497 0.554 . . . . 10.0 112.497 -178.085 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 519' ' ' ALA . . . . . 0.626 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -48.78 -59.43 6.26 Favored Pre-proline 0 CA--C 1.537 0.462 0 N-CA-C 113.796 1.036 . . . . 10.0 113.796 -178.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 520' ' ' PRO . . . . . 0.626 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 45.1 Cg_exo -60.63 -37.28 80.77 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 121.725 1.617 . . . . 10.0 111.057 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -65.37 -37.24 86.43 Favored 'General case' 0 C--O 1.224 -0.276 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.265 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 522' ' ' SER . . . . . 0.4 ' O ' ' HG3' ' D' ' 526' ' ' ARG . 13.6 m -62.62 -37.59 86.91 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.097 0.475 . . . . 10.0 110.072 179.652 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -66.68 -38.83 87.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.875 -0.602 . . . . 10.0 109.649 179.168 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -70.83 -36.75 73.04 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.145 -0.687 . . . . 10.0 109.145 178.689 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 525' ' ' LEU . . . . . 0.481 HD23 ' HD2' ' D' ' 528' ' ' ARG . 66.2 mt -62.32 -34.59 76.92 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 109.232 -0.655 . . . . 10.0 109.232 178.264 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 526' ' ' ARG . . . . . 0.4 ' HG3' ' O ' ' D' ' 522' ' ' SER . 63.7 mtt180 -63.52 -40.63 97.53 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.546 -0.538 . . . . 10.0 109.546 178.395 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -63.16 -38.85 92.78 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.844 -0.617 . . . . 10.0 109.703 178.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 528' ' ' ARG . . . . . 0.589 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 96.8 mtt180 -71.4 -45.3 63.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.638 -0.71 . . . . 10.0 109.586 179.005 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 41.4 mt -62.89 -34.67 77.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.784 -0.644 . . . . 10.0 110.425 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -64.43 -38.18 90.12 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.22 -0.659 . . . . 10.0 109.22 178.547 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -67.62 -43.6 80.01 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.103 -0.703 . . . . 10.0 109.103 178.709 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 532' ' ' ARG . . . . . 0.421 ' O ' ' HG ' ' D' ' 536' ' ' LEU . 10.3 ttm180 -64.35 -40.66 96.31 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.711 -0.677 . . . . 10.0 109.633 178.418 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 16.0 mt -64.17 -38.72 92.09 Favored 'General case' 0 C--O 1.223 -0.291 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 178.334 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 534' ' ' GLU . . . . . 0.702 ' HA ' ' HE3' ' D' ' 537' ' ' LYS . 30.2 tt0 -63.15 -41.04 99.21 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.982 -0.747 . . . . 10.0 108.982 178.256 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -66.48 -41.68 88.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.547 -0.751 . . . . 10.0 109.491 178.275 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 536' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' D' ' 532' ' ' ARG . 49.2 mt -68.07 -24.28 65.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.718 179.143 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 537' ' ' LYS . . . . . 0.702 ' HE3' ' HA ' ' D' ' 534' ' ' GLU . 39.8 mtmt -81.1 -43.25 19.72 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.098 -0.704 . . . . 10.0 109.098 178.219 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -66.01 -48.58 70.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.774 -0.648 . . . . 10.0 109.563 179.255 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -75.19 -31.34 60.92 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.902 -0.59 . . . . 10.0 109.866 179.263 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -63.22 -52.58 46.19 Favored Glycine 0 N--CA 1.45 -0.431 0 N-CA-C 111.135 -0.786 . . . . 10.0 111.135 179.371 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -60.46 -38.71 95.25 Favored Glycine 0 N--CA 1.449 -0.479 0 N-CA-C 110.938 -0.865 . . . . 10.0 110.938 178.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -64.53 -50.26 68.04 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.8 -0.445 . . . . 10.0 109.8 178.729 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -59.85 -40.47 88.67 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 116.163 -0.471 . . . . 10.0 110.157 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 79.6 mt -64.27 -42.34 96.49 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-O 120.979 0.418 . . . . 10.0 109.881 179.029 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -62.01 -39.46 92.36 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.476 -0.564 . . . . 10.0 109.476 179.081 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -70.7 -44.16 67.49 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.565 -0.743 . . . . 10.0 109.854 178.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -59.67 -49.51 77.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.598 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 53.6 m80 -64.71 -38.94 92.7 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.952 0.406 . . . . 10.0 110.659 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -66.72 -47.46 72.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.137 0.494 . . . . 10.0 109.939 179.36 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 550' ' ' LYS . . . . . 0.492 ' O ' ' HB2' ' D' ' 554' ' ' HIS . 0.0 OUTLIER -67.7 -23.02 65.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.723 -0.671 . . . . 10.0 110.477 179.501 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -68.13 -42.53 80.04 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.397 -0.594 . . . . 10.0 109.397 178.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 2.6 m -68.16 -41.11 82.01 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.784 -0.644 . . . . 10.0 109.297 178.745 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -63.23 -41.55 99.11 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 109.008 -0.738 . . . . 10.0 109.008 178.429 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 554' ' ' HIS . . . . . 0.492 ' HB2' ' O ' ' D' ' 550' ' ' LYS . 2.9 t60 -65.29 -41.25 94.31 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 115.556 -0.747 . . . . 10.0 109.083 178.44 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 30.1 tp -60.34 -47.28 86.71 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.607 -0.724 . . . . 10.0 110.698 179.102 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 2.9 p -64.72 -40.6 95.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.421 -0.354 . . . . 10.0 111.411 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 1.5 p -70.58 -33.4 71.04 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.845 0.355 . . . . 10.0 110.911 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 38.1 mt -70.36 -51.84 26.9 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.243 178.742 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 559' ' ' SER . . . . . 0.421 ' HA ' ' HB3' ' D' ' 562' ' ' ALA . 12.5 p -65.33 -33.97 77.23 Favored 'General case' 0 C--N 1.332 -0.155 0 O-C-N 123.265 0.353 . . . . 10.0 110.625 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -52.67 -37.55 58.97 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.144 178.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 36.2 mttp -99.15 -33.91 10.58 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.01 -0.541 . . . . 10.0 111.818 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 562' ' ' ALA . . . . . 0.421 ' HB3' ' HA ' ' D' ' 559' ' ' SER . . . -55.37 -37.66 67.81 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 111.857 0.317 . . . . 10.0 111.857 -179.587 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -65.5 -63.3 3.52 Favored Pre-proline 0 CA--C 1.539 0.521 0 N-CA-C 111.953 0.353 . . . . 10.0 111.953 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_endo -63.14 -35.25 65.55 Favored 'Trans proline' 0 C--N 1.354 0.844 0 C-N-CA 122.133 1.889 . . . . 10.0 112.085 179.744 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -63.58 -49.05 74.91 Favored 'General case' 0 CA--C 1.52 -0.196 0 C-N-CA 121.239 -0.184 . . . . 10.0 110.753 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 566' ' ' LEU . . . . . 0.467 HD23 ' HA ' ' D' ' 566' ' ' LEU . 11.5 mt -63.16 -39.89 95.97 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.783 -0.367 . . . . 10.0 110.179 179.565 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 567' ' ' GLU . . . . . 0.439 ' O ' ' HG3' ' D' ' 571' ' ' GLN . 6.7 mm-40 -62.4 -56.36 18.99 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.807 -0.633 . . . . 10.0 109.935 178.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -60.19 -45.18 94.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.493 -0.776 . . . . 10.0 111.761 -179.295 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 36.3 mt -58.23 -44.06 88.04 Favored 'General case' 0 C--O 1.223 -0.307 0 CA-C-N 116.506 -0.316 . . . . 10.0 110.638 179.263 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 570' ' ' ARG . . . . . 0.46 ' O ' ' HG ' ' D' ' 574' ' ' LEU . 62.7 mtt180 -69.14 -39.18 78.99 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.873 0.368 . . . . 10.0 110.09 178.713 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 571' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' D' ' 567' ' ' GLU . 72.2 mt-30 -65.56 -23.71 66.92 Favored 'General case' 0 C--O 1.228 -0.077 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.545 179.012 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -93.35 -36.9 5.76 Favored Glycine 0 N--CA 1.443 -0.856 0 N-CA-C 111.108 -0.797 . . . . 10.0 111.108 178.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 24.6 mt -60.59 -41.41 94.65 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 122.08 0.152 . . . . 10.0 111.34 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 574' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' D' ' 570' ' ' ARG . 94.9 mt -54.22 -62.09 4.46 Favored Pre-proline 0 CA--C 1.538 0.519 0 N-CA-C 113.171 0.804 . . . . 10.0 113.171 -179.562 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_endo -62.97 -37.27 54.7 Favored 'Trans proline' 0 C--N 1.355 0.887 0 C-N-CA 122.19 1.926 . . . . 10.0 112.08 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 34.6 t -64.77 -43.11 96.49 Favored 'Isoleucine or valine' 0 C--O 1.231 0.09 0 CA-C-N 116.433 -0.349 . . . . 10.0 110.463 179.494 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 577' ' ' LEU . . . . . 0.406 ' O ' ' HG3' ' D' ' 581' ' ' LYS . 29.9 mt -64.05 -37.85 88.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.449 -0.341 . . . . 10.0 110.486 179.076 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -62.24 -45.54 92.87 Favored 'General case' 0 C--N 1.334 -0.095 0 N-CA-C 109.406 -0.59 . . . . 10.0 109.406 178.558 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 39.8 m -65.37 -38.79 91.09 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.496 -0.557 . . . . 10.0 109.496 178.624 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -61.82 -40.64 95.98 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.533 -0.543 . . . . 10.0 109.533 178.579 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 581' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' D' ' 577' ' ' LEU . 92.9 mttt -61.02 -40.48 93.73 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.174 -0.466 . . . . 10.0 109.801 178.444 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 53.1 t -59.91 -50.23 80.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.469 179.222 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.71 -32.05 72.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 10.0 111.019 179.39 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 584' ' ' PHE . . . . . 0.535 ' O ' ' HG ' ' D' ' 588' ' ' LEU . 17.8 t80 -69.14 -51.12 41.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.881 -0.599 . . . . 10.0 110.137 179.637 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 82.1 mt -59.65 -49.97 75.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.506 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 9.1 p -59.85 -36.1 76.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.702 0.287 . . . . 10.0 111.284 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 587' ' ' ALA . . . . . 0.809 ' HB2' ' HG2' ' A' ' 396' ' ' LYS . . . -67.1 -49.45 64.95 Favored 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 109.87 -0.419 . . . . 10.0 109.87 178.81 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 588' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' D' ' 584' ' ' PHE . 80.3 mt -57.59 -48.33 79.67 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 115.896 -0.593 . . . . 10.0 111.0 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -57.38 -51.01 71.14 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 116.266 -0.425 . . . . 10.0 111.442 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -66.95 -38.39 86.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.672 -0.24 . . . . 10.0 111.577 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -61.73 -38.96 89.87 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-O 120.786 0.327 . . . . 10.0 110.27 178.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 29.6 m -64.46 -31.0 72.04 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.156 0.503 . . . . 10.0 110.571 179.57 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -81.51 -35.87 29.88 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.647 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 594' ' ' LYS . . . . . 0.675 ' HE2' ' HB2' ' A' ' 388' ' ' SER . 5.1 mptt -74.23 -37.82 63.71 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.135 0.493 . . . . 10.0 110.994 179.294 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 55.4 mt -102.73 54.22 0.78 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.004 -0.544 . . . . 10.0 109.878 179.582 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.283 -0.417 . . . . 10.0 110.301 179.656 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 C--O 1.234 0.26 0 CA-C-O 120.748 0.308 . . . . 10.0 110.66 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 2' ' ' THR . . . . . 0.436 ' HB ' ' CE2' ' B' ' 4' ' ' TYR . 0.2 OUTLIER -67.01 131.54 46.07 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 116.275 -0.421 . . . . 10.0 110.829 179.653 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -96.21 135.96 37.32 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.846 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 4' ' ' TYR . . . . . 0.436 ' CE2' ' HB ' ' B' ' 2' ' ' THR . 94.7 m-85 -131.27 124.43 30.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.259 -0.428 . . . . 10.0 110.252 179.397 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -88.91 105.61 17.87 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.186 179.365 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.521 HD11 HD13 ' B' ' 53' ' ' LEU . 17.7 mt -104.97 116.96 32.85 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.829 -178.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 7' ' ' VAL . . . . . 0.468 HG11 ' HD2' ' B' ' 71' ' ' TYR . 46.2 t -107.11 129.57 60.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.324 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.468 HG12 ' HD2' ' B' ' 16' ' ' LYS . 11.5 t -91.86 109.79 21.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.052 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 16.4 m -110.29 147.19 14.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.104 0.478 . . . . 10.0 111.145 -179.489 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 150.82 172.94 20.41 Favored Glycine 0 N--CA 1.445 -0.727 0 N-CA-C 110.946 -0.862 . . . . 10.0 110.946 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.27 -173.36 1.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.043 0.449 . . . . 10.0 111.451 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.29 150.88 19.76 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.116 0.484 . . . . 10.0 111.215 -179.665 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 71.22 20.14 77.87 Favored Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.248 -0.887 . . . . 10.0 113.601 179.374 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 26.8 m -98.76 -14.16 7.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.982 0.391 . . . . 10.0 111.875 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' GLY . . . . . 0.457 ' HA3' ' ND2' ' B' ' 116' ' ' ASN . . . 113.26 23.31 5.23 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.921 -0.657 . . . . 10.0 113.05 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 16' ' ' LYS . . . . . 0.468 ' HD2' HG12 ' B' ' 8' ' ' VAL . 1.5 mmmm -63.04 -52.41 62.94 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.075 0.464 . . . . 10.0 110.983 -179.591 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.05 -40.77 62.61 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.587 -179.807 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.42 -49.97 72.99 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.877 -0.601 . . . . 10.0 111.997 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 2.9 tp -60.47 -49.39 77.75 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.827 0.346 . . . . 10.0 110.959 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 7.4 m -61.75 -45.82 92.26 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.86 -0.609 . . . . 10.0 112.068 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.43 -34.85 69.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.789 0.328 . . . . 10.0 111.078 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 22' ' ' GLN . . . . . 0.707 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 7.0 mm-40 -65.91 -23.44 66.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.142 0.496 . . . . 10.0 111.062 179.754 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 36.8 tp -91.95 -39.67 11.56 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.828 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.467 HD11 HD12 ' B' ' 55' ' ' ILE . 51.0 mm -77.78 -64.31 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.046 -0.525 . . . . 10.0 112.2 -179.17 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -89.36 -10.54 46.25 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.398 -0.365 . . . . 10.0 111.71 -178.681 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 26' ' ' ASN . . . . . 0.707 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 40.5 m-80 63.42 35.73 11.93 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 114.206 1.187 . . . . 10.0 114.206 178.45 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -142.1 160.0 41.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.725 -0.216 . . . . 10.0 110.76 178.482 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 28' ' ' PHE . . . . . 0.421 ' HB2' ' NE2' ' B' ' 22' ' ' GLN . 63.5 t80 -104.34 126.65 51.62 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.227 0.537 . . . . 10.0 112.25 -178.656 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 3.3 m -90.85 125.19 43.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.511 -0.768 . . . . 10.0 109.725 178.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.15 -11.5 32.64 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.334 -0.393 . . . . 10.0 110.6 -179.646 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -93.5 138.42 31.81 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.171 -0.468 . . . . 10.0 110.243 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -75.71 120.72 21.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.489 -0.323 . . . . 10.0 111.224 -179.487 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' ASP . . . . . 0.439 ' HA ' ' HD2' ' B' ' 34' ' ' PRO . 25.9 t0 -127.34 101.06 25.37 Favored Pre-proline 0 C--O 1.237 0.437 0 CA-C-O 120.9 0.381 . . . . 10.0 111.647 179.471 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 34' ' ' PRO . . . . . 0.439 ' HD2' ' HA ' ' B' ' 33' ' ' ASP . 40.2 Cg_endo -68.42 106.38 1.41 Allowed 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 122.788 2.326 . . . . 10.0 112.056 179.666 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 35' ' ' THR . . . . . 0.45 ' CG2' ' HB2' ' B' ' 38' ' ' ASP . 2.0 m -88.41 139.03 30.9 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.796 -0.638 . . . . 10.0 110.447 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.535 ' HA ' ' HB2' ' B' ' 59' ' ' ALA . 47.2 mm -93.12 -49.45 12.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 109.117 -0.697 . . . . 10.0 109.117 178.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -169.46 87.72 0.16 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.746 -0.661 . . . . 10.0 109.875 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 38' ' ' ASP . . . . . 0.45 ' HB2' ' CG2' ' B' ' 35' ' ' THR . 7.6 t0 -107.82 152.77 23.94 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.85 0.357 . . . . 10.0 110.357 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -126.41 136.13 52.29 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.218 -0.447 . . . . 10.0 111.246 -179.158 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -131.85 133.38 44.59 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.2 -0.455 . . . . 10.0 110.287 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.485 ' HD2' ' OD2' ' B' ' 54' ' ' ASP . 0.6 OUTLIER -113.46 139.37 48.98 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.446 -0.343 . . . . 10.0 110.603 -179.675 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 65.8 tttp -157.8 126.41 5.6 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.102 -0.499 . . . . 10.0 111.117 179.365 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 -93.66 126.48 38.85 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.069 -0.514 . . . . 10.0 109.772 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 2.7 m -139.19 161.36 28.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.748 0.308 . . . . 10.0 111.032 -179.461 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 36.3 t -98.03 103.97 15.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.228 -0.656 . . . . 10.0 109.228 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 60.0 mt -115.27 127.78 72.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.181 -0.463 . . . . 10.0 111.011 -179.323 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 47' ' ' ASP . . . . . 0.567 ' OD1' ' HD2' ' B' ' 161' ' ' ARG . 55.3 m-20 68.61 8.3 6.62 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.827 -0.624 . . . . 10.0 111.842 179.352 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.59 -1.9 45.85 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.736 -0.745 . . . . 10.0 111.837 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -120.56 131.06 54.48 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.589 0.233 . . . . 10.0 110.583 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -74.59 131.0 40.59 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.049 -0.723 . . . . 10.0 109.049 179.441 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 50.0 m -136.0 150.04 49.07 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.04 0.448 . . . . 10.0 111.506 -179.497 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 53.4 tp -100.87 112.35 24.76 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.333 -0.988 . . . . 10.0 108.333 178.493 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 53' ' ' LEU . . . . . 0.521 HD13 HD11 ' B' ' 6' ' ' LEU . 43.9 mt -96.23 127.29 42.1 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.384 0.612 . . . . 10.0 112.397 -178.491 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 54' ' ' ASP . . . . . 0.485 ' OD2' ' HD2' ' B' ' 41' ' ' ARG . 23.0 t70 -101.21 97.36 7.89 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.142 -0.936 . . . . 10.0 108.477 178.85 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 55' ' ' ILE . . . . . 0.467 HD12 HD11 ' B' ' 24' ' ' ILE . 5.7 mt -89.41 133.28 31.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.567 -178.375 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 29.1 tp -123.17 104.23 9.04 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.286 0.565 . . . . 10.0 111.447 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -89.13 98.51 11.8 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.755 -0.831 . . . . 10.0 108.755 179.355 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.71 166.5 11.62 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.517 0.562 . . . . 10.0 112.517 -178.376 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 59' ' ' ALA . . . . . 0.535 ' HB2' ' HA ' ' B' ' 36' ' ' ILE . . . -65.18 154.16 38.85 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.697 -0.683 . . . . 10.0 112.2 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -135.29 33.58 2.42 Favored Glycine 0 N--CA 1.448 -0.545 0 N-CA-C 110.824 -0.91 . . . . 10.0 110.824 179.185 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -104.71 18.53 22.09 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.59 0.233 . . . . 10.0 111.344 -179.246 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.411 ' HB3' ' H ' ' B' ' 63' ' ' GLU . 1.0 OUTLIER 65.05 -158.98 0.29 Allowed 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.801 -0.636 . . . . 10.0 112.163 179.279 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 63' ' ' GLU . . . . . 0.411 ' H ' ' HB3' ' B' ' 62' ' ' GLU . 0.1 OUTLIER 73.44 -56.08 0.66 Allowed 'General case' 0 N--CA 1.464 0.248 0 O-C-N 123.783 0.677 . . . . 10.0 112.396 179.671 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 64' ' ' TYR . . . . . 0.659 ' HB3' ' HB3' ' B' ' 67' ' ' MET . 27.4 m-85 -64.79 93.0 0.1 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.777 0.658 . . . . 10.0 112.777 -178.822 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 5.4 m -94.74 -48.88 5.86 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.946 -0.57 . . . . 10.0 109.642 179.091 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.46 -38.01 86.39 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 116.211 -0.45 . . . . 10.0 111.065 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 67' ' ' MET . . . . . 0.659 ' HB3' ' HB3' ' B' ' 64' ' ' TYR . 25.4 ttt -64.16 -37.25 86.77 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.183 179.405 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 68' ' ' ARG . . . . . 0.492 ' HA ' ' CE1' ' B' ' 71' ' ' TYR . 0.0 OUTLIER -59.99 -38.66 83.25 Favored 'General case' 0 C--N 1.334 -0.097 0 CA-C-N 115.53 -0.759 . . . . 10.0 111.282 -179.549 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.38 -20.96 66.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.762 -0.654 . . . . 10.0 112.316 -179.358 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -79.25 -65.75 0.96 Allowed 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 120.812 -0.355 . . . . 10.0 111.64 -179.274 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 71' ' ' TYR . . . . . 0.492 ' CE1' ' HA ' ' B' ' 68' ' ' ARG . 46.9 p90 -65.36 -29.75 70.5 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 113.752 1.019 . . . . 10.0 113.752 -178.423 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 72' ' ' MET . . . . . 0.426 ' HB2' ' O ' ' B' ' 68' ' ' ARG . 35.1 mtt -71.48 -16.78 62.37 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-O 120.879 0.371 . . . . 10.0 111.228 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 73' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' B' ' 73' ' ' ARG . 41.4 ttm105 -85.62 -46.61 10.62 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.15 0.5 . . . . 10.0 110.302 179.535 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.31 -29.65 61.71 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.714 -0.676 . . . . 10.0 112.436 -179.024 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -61.41 138.74 47.21 Favored Glycine 0 C--N 1.329 0.172 0 C-N-CA 121.0 -0.619 . . . . 10.0 113.594 -178.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -98.67 -43.06 6.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.018 0.437 . . . . 10.0 110.101 179.448 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -123.11 132.02 8.43 Favored Glycine 0 N--CA 1.444 -0.818 0 N-CA-C 110.667 -0.973 . . . . 10.0 110.667 179.074 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 78' ' ' PHE . . . . . 0.743 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 98.3 m-85 -112.89 117.55 32.43 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.701 0.63 . . . . 10.0 112.701 -178.848 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.661 HD12 ' HB ' ' B' ' 112' ' ' VAL . 11.9 tp -88.32 105.16 17.39 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 108.941 -0.763 . . . . 10.0 108.941 179.436 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 80' ' ' CYS . . . . . 0.565 ' HB3' HD12 ' B' ' 93' ' ' ILE . 3.8 m -81.8 96.17 7.52 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.236 -179.739 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 25.3 t -98.24 127.8 50.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.234 0.54 . . . . 10.0 111.582 -178.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 82' ' ' PHE . . . . . 0.618 ' HE2' ' HG ' ' B' ' 113' ' ' LEU . 47.3 p90 -141.18 149.56 41.61 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.396 -0.82 . . . . 10.0 109.305 178.127 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.418 ' HB1' ' OD1' ' B' ' 85' ' ' ASN . . . -89.42 132.64 34.9 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.906 -0.405 . . . . 10.0 109.906 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 84' ' ' ILE . . . . . 0.488 HD13 ' HB3' ' B' ' 123' ' ' ARG . 2.5 pp -66.95 -17.26 22.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.882 0.372 . . . . 10.0 111.608 -179.67 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 85' ' ' ASN . . . . . 0.418 ' OD1' ' HB1' ' B' ' 83' ' ' ALA . 25.1 p-10 -100.1 19.53 16.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.595 179.411 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -139.29 113.22 8.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.283 179.367 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.74 -34.94 67.36 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.165 0.432 . . . . 10.0 112.165 -179.047 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 29.3 tptp -60.38 -50.99 71.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 10.0 111.392 -179.637 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 2.9 m -60.13 -34.98 74.27 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 112.233 0.457 . . . . 10.0 112.233 -179.434 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 90' ' ' PHE . . . . . 0.452 ' HB2' HG21 ' B' ' 125' ' ' VAL . 41.2 t80 -63.69 -51.11 66.52 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.764 0.316 . . . . 10.0 111.53 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -73.83 -18.86 60.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.458 -0.337 . . . . 10.0 111.731 -179.061 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -68.7 -24.14 64.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.744 0.307 . . . . 10.0 111.206 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 93' ' ' ILE . . . . . 0.565 HD12 ' HB3' ' B' ' 80' ' ' CYS . 51.8 mm -59.41 -37.9 72.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.769 -179.747 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 63.5 t60 -61.59 -45.96 91.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 10.0 110.396 179.254 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 62.2 m-70 -64.35 -37.12 86.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.766 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -69.45 -42.67 74.63 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.706 -0.679 . . . . 10.0 110.413 179.547 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 97' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' B' ' 97' ' ' ARG . 43.0 ttt-85 -60.74 -45.21 95.16 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 120.902 0.382 . . . . 10.0 110.43 179.334 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -62.66 -38.72 91.41 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.178 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 99' ' ' GLN . . . . . 0.461 ' O ' HG23 ' B' ' 103' ' ' VAL . 40.3 tt0 -64.52 -50.62 66.64 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.565 -0.743 . . . . 10.0 110.453 179.214 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 100' ' ' ILE . . . . . 0.441 HG21 HG11 ' B' ' 109' ' ' VAL . 76.8 mt -56.65 -44.18 80.61 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 CA-C-N 116.165 -0.47 . . . . 10.0 111.221 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 101' ' ' LYS . . . . . 0.424 ' HB2' ' HE3' ' B' ' 101' ' ' LYS . 36.3 mtmt -59.41 -36.61 76.16 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.297 -0.41 . . . . 10.0 111.496 179.723 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 6.8 tmm_? -74.22 -44.21 54.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.989 -0.551 . . . . 10.0 110.999 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 103' ' ' VAL . . . . . 0.461 HG23 ' O ' ' B' ' 99' ' ' GLN . 52.2 t -64.22 -42.76 96.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.528 -0.305 . . . . 10.0 111.698 -179.218 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -89.5 -6.16 56.66 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.367 0.506 . . . . 10.0 112.367 -179.326 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 32.6 t0 53.75 51.1 15.58 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 121.316 0.579 . . . . 10.0 110.728 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 27.0 t -163.01 144.5 9.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.326 -0.852 . . . . 10.0 109.891 -179.046 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -89.85 -27.93 19.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.852 0.358 . . . . 10.0 110.105 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -84.09 92.76 7.97 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.837 -0.619 . . . . 10.0 110.478 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 109' ' ' VAL . . . . . 0.441 HG11 HG21 ' B' ' 100' ' ' ILE . 62.1 t -127.19 127.06 24.34 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.488 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 110' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 18.0 Cg_exo -67.63 110.3 2.06 Favored 'Trans proline' 0 C--O 1.235 0.345 0 C-N-CA 122.891 2.394 . . . . 10.0 111.304 179.305 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 111' ' ' MET . . . . . 0.743 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 54.9 mtm -136.6 148.27 47.4 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.832 -0.622 . . . . 10.0 111.189 -179.461 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 112' ' ' VAL . . . . . 0.661 ' HB ' HD12 ' B' ' 79' ' ' LEU . 88.3 t -121.16 127.76 75.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.084 -0.507 . . . . 10.0 109.871 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 113' ' ' LEU . . . . . 0.618 ' HG ' ' HE2' ' B' ' 82' ' ' PHE . 13.5 tp -85.15 109.85 18.57 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.233 -0.654 . . . . 10.0 109.233 179.183 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 72.2 t -114.33 115.63 50.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.962 0.41 . . . . 10.0 112.041 -178.201 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -99.24 105.72 3.1 Favored Glycine 0 N--CA 1.446 -0.684 0 N-CA-C 109.058 -1.617 . . . . 10.0 109.058 177.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 116' ' ' ASN . . . . . 0.457 ' ND2' ' HA3' ' B' ' 15' ' ' GLY . 63.0 t30 -92.21 162.88 14.13 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 112.288 0.477 . . . . 10.0 112.288 -178.063 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 90.9 mttt 71.26 25.41 3.56 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.102 -0.954 . . . . 10.0 112.518 179.263 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 118' ' ' CYS . . . . . 0.424 ' HA ' HG12 ' B' ' 84' ' ' ILE . 18.7 m -63.32 -18.41 63.6 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 113.058 0.762 . . . . 10.0 113.058 -179.661 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -82.67 -5.93 59.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.773 0.321 . . . . 10.0 111.143 -179.676 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 45.8 mt -88.33 138.73 30.25 Favored Pre-proline 0 C--N 1.328 -0.36 0 N-CA-C 109.992 -0.373 . . . . 10.0 109.992 179.191 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -73.71 158.68 46.72 Favored 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 123.066 2.511 . . . . 10.0 112.438 -179.534 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 22.6 m 63.7 67.58 0.62 Allowed 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.707 -0.679 . . . . 10.0 112.305 178.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 123' ' ' ARG . . . . . 0.488 ' HB3' HD13 ' B' ' 84' ' ' ILE . 17.6 ptp180 -84.86 137.63 33.03 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.688 -0.687 . . . . 10.0 110.536 179.682 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.5 -33.27 20.38 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.745 -0.465 . . . . 10.0 109.745 179.096 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 125' ' ' VAL . . . . . 0.452 HG21 ' HB2' ' B' ' 90' ' ' PHE . 60.5 t -96.66 112.17 28.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.168 179.351 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 126' ' ' ASP . . . . . 0.473 ' HB3' ' HE3' ' B' ' 128' ' ' LYS . 0.7 OUTLIER -74.32 145.24 44.07 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.736 -0.666 . . . . 10.0 109.43 179.178 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 1.5 m -55.83 -37.3 68.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.234 0.54 . . . . 10.0 110.699 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 128' ' ' LYS . . . . . 0.6 ' HB3' ' HA ' ' C' ' 47' ' ' ASP . 20.4 mtmt -58.61 -56.99 15.0 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.146 -0.934 . . . . 10.0 111.806 -179.693 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -63.67 -26.84 68.85 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 111.924 0.342 . . . . 10.0 111.924 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -71.17 -49.7 41.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 10.0 109.913 179.153 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 131' ' ' GLN . . . . . 0.437 ' HG3' ' HD2' ' B' ' 141' ' ' PHE . 11.1 mt-30 -68.87 -29.87 68.26 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.167 179.24 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -61.81 -38.38 87.92 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.278 178.779 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 34.5 tp -70.79 -38.41 73.37 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.811 -0.632 . . . . 10.0 110.45 179.419 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -69.99 -31.05 68.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.66 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? -57.8 -44.69 86.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.634 -0.712 . . . . 10.0 111.115 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.1 -20.49 63.19 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.097 -0.501 . . . . 10.0 111.756 -179.776 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 20.5 m-30 -88.08 -42.71 12.2 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.258 0.551 . . . . 10.0 110.903 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 105.66 -0.01 39.64 Favored Glycine 0 N--CA 1.448 -0.54 0 N-CA-C 111.169 -0.772 . . . . 10.0 111.169 -179.217 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 45.2 pt -99.79 158.83 31.4 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 109.991 -0.374 . . . . 10.0 109.991 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -88.12 151.9 6.92 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.671 2.248 . . . . 10.0 113.405 -179.669 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 141' ' ' PHE . . . . . 0.437 ' HD2' ' HG3' ' B' ' 131' ' ' GLN . 27.7 t80 -112.65 134.84 53.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.652 -0.704 . . . . 10.0 109.377 178.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 13.6 mt -123.23 133.62 68.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.781 0.324 . . . . 10.0 111.619 -179.376 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -87.32 111.88 21.51 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.164 -1.05 . . . . 10.0 108.164 177.472 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -120.28 164.88 15.62 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.553 0.692 . . . . 10.0 112.211 -177.284 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 5.4 t -153.23 116.14 4.54 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 107.98 -1.119 . . . . 10.0 107.98 178.815 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.7 -29.23 61.12 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.62 -0.511 . . . . 10.0 109.62 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -62.43 -43.21 99.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.515 -0.766 . . . . 10.0 110.948 179.048 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 68.5 p -93.71 -19.87 20.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.945 0.402 . . . . 10.0 110.779 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 149' ' ' ARG . . . . . 0.534 ' HG3' ' HB3' ' B' ' 22' ' ' GLN . 23.2 ttt-85 72.69 15.05 4.95 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.579 -0.737 . . . . 10.0 111.474 -179.446 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -81.93 123.73 29.11 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.312 -0.404 . . . . 10.0 111.135 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 84.36 -2.19 88.1 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 121.1 -0.571 . . . . 10.0 113.216 179.467 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 55.3 t -58.53 -51.25 73.96 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 N-CA-C 111.948 0.351 . . . . 10.0 111.948 -179.541 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -63.34 -44.19 95.57 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 110.156 -0.313 . . . . 10.0 110.156 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -58.94 -42.36 89.57 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.041 -0.527 . . . . 10.0 112.18 -179.219 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -53.53 -52.04 60.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.016 0.436 . . . . 10.0 111.124 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -69.03 -37.48 78.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.807 -0.633 . . . . 10.0 111.103 179.725 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -61.74 -40.64 95.81 Favored 'General case' 0 N--CA 1.457 -0.104 0 CA-C-O 120.934 0.397 . . . . 10.0 110.361 179.221 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 158' ' ' THR . . . . . 0.495 ' O ' ' HG2' ' B' ' 162' ' ' GLU . 22.1 m -60.99 -39.57 90.17 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.852 179.572 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 159' ' ' LEU . . . . . 0.489 HD23 ' HB3' ' B' ' 6' ' ' LEU . 15.2 tp -58.52 -40.19 82.2 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.731 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 39.4 t -67.31 -38.83 81.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.474 -0.565 . . . . 10.0 109.474 178.799 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 161' ' ' ARG . . . . . 0.567 ' HD2' ' OD1' ' B' ' 47' ' ' ASP . 0.2 OUTLIER -63.44 -39.54 94.76 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.022 179.065 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 162' ' ' GLU . . . . . 0.495 ' HG2' ' O ' ' B' ' 158' ' ' THR . 32.0 mm-40 -64.17 -41.42 97.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.857 -0.611 . . . . 10.0 110.692 179.436 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 163' ' ' ILE . . . . . 0.411 HG13 ' O ' ' B' ' 159' ' ' LEU . 79.9 mt -65.3 -43.24 95.12 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.122 0 N-CA-C 109.488 -0.56 . . . . 10.0 109.488 178.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 164' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' B' ' 164' ' ' ARG . 35.1 mtt180 -61.96 -39.01 90.68 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 116.129 -0.487 . . . . 10.0 109.881 178.77 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 165' ' ' LYS . . . . . 0.484 ' HG3' ' HG2' ' C' ' 135' ' ' ARG . 22.1 mtmt . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 115.956 -0.565 . . . . 10.0 110.205 179.195 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 8.5 m . . . . . 0 CA--C 1.529 0.141 0 CA-C-O 120.83 0.347 . . . . 10.0 111.545 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' C' C ' 2' ' ' THR . . . . . 0.401 ' HB ' ' CE2' ' C' ' 4' ' ' TYR . 0.2 OUTLIER -70.21 126.58 30.09 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.4 -0.364 . . . . 10.0 111.502 -179.215 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -97.87 135.0 40.24 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.784 -0.45 . . . . 10.0 109.784 179.353 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 4' ' ' TYR . . . . . 0.434 ' CE2' ' HB3' ' C' ' 51' ' ' CYS . 96.5 m-85 -125.26 114.08 18.47 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.425 -0.352 . . . . 10.0 110.921 -179.319 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 5' ' ' LYS . . . . . 0.556 ' HA ' ' HB3' ' C' ' 54' ' ' ASP . 51.3 mttm -85.71 119.65 26.27 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.543 -0.54 . . . . 10.0 109.543 179.029 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 6' ' ' LEU . . . . . 0.582 HD11 HG22 ' C' ' 160' ' ' VAL . 20.1 mt -124.58 133.54 53.25 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.011 0.434 . . . . 10.0 111.289 -178.802 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 58.7 t -113.31 129.25 69.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.048 -0.524 . . . . 10.0 110.212 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.504 HG12 ' HD2' ' C' ' 16' ' ' LYS . 3.0 t -92.35 109.73 21.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.595 -0.52 . . . . 10.0 109.595 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 15.9 m -106.49 150.18 9.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.481 -0.327 . . . . 10.0 111.446 -179.428 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 155.66 176.79 28.22 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 121.229 -0.51 . . . . 10.0 112.034 -179.499 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.88 -174.51 5.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.987 0.422 . . . . 10.0 111.363 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.67 144.14 26.04 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.847 0.356 . . . . 10.0 110.957 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.76 11.99 83.3 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 121.121 -0.562 . . . . 10.0 113.523 179.473 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 34.8 m -89.52 -21.49 6.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 117.407 0.603 . . . . 10.0 111.922 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 108.68 20.2 8.25 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.635 -0.793 . . . . 10.0 113.709 179.052 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 16' ' ' LYS . . . . . 0.504 ' HD2' HG12 ' C' ' 8' ' ' VAL . 33.6 mtmt -56.96 -45.17 83.03 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 112.126 0.417 . . . . 10.0 112.126 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.28 -39.09 55.18 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.644 -0.253 . . . . 10.0 110.64 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.91 -48.59 77.87 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.407 -0.36 . . . . 10.0 110.92 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 19' ' ' LEU . . . . . 0.568 ' HB3' ' HZ ' ' C' ' 156' ' ' PHE . 84.2 mt -61.4 -46.86 88.38 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.335 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 6.6 m -66.88 -46.16 75.84 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.133 -0.485 . . . . 10.0 112.106 -179.375 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 84.7 mt -61.58 -32.9 54.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.181 0.515 . . . . 10.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 22' ' ' GLN . . . . . 0.658 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 5.3 mm-40 -65.23 -27.28 68.56 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.547 -0.751 . . . . 10.0 111.268 179.661 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 16.6 tp -92.43 -34.26 14.2 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.973 0.416 . . . . 10.0 111.324 -179.639 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 50.8 mm -81.91 -59.3 2.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.207 -0.451 . . . . 10.0 112.114 -178.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -91.23 -16.35 27.77 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.694 0.283 . . . . 10.0 111.75 -178.808 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 26' ' ' ASN . . . . . 0.658 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 26.5 m-80 70.16 30.36 3.5 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 114.149 1.166 . . . . 10.0 114.149 178.144 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -137.21 156.4 48.36 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 120.929 -0.309 . . . . 10.0 110.748 179.278 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -93.88 135.33 35.32 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.086 0.469 . . . . 10.0 110.721 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 5.8 m -100.43 132.84 45.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.143 -0.481 . . . . 10.0 110.979 179.501 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -108.52 -9.63 15.34 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.975 0.893 . . . . 10.0 109.472 179.009 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -91.45 143.45 26.59 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.013 -0.994 . . . . 10.0 109.985 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -75.34 115.53 15.09 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.607 -0.269 . . . . 10.0 110.693 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -110.49 108.56 58.34 Favored Pre-proline 0 C--O 1.238 0.48 0 CA-C-N 116.286 -0.415 . . . . 10.0 111.708 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -75.69 77.66 3.29 Favored 'Trans proline' 0 N--CA 1.459 -0.559 0 C-N-CA 122.727 2.285 . . . . 10.0 110.514 178.448 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 35' ' ' THR . . . . . 0.45 HG22 ' HB2' ' C' ' 38' ' ' ASP . 0.2 OUTLIER -73.47 120.89 19.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.019 -0.537 . . . . 10.0 109.871 179.416 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 36' ' ' ILE . . . . . 0.891 ' HA ' ' HB2' ' C' ' 59' ' ' ALA . 27.1 mm -95.38 -46.01 13.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.073 0.463 . . . . 10.0 110.203 -179.759 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -164.83 91.57 0.56 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.776 -0.647 . . . . 10.0 109.271 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 38' ' ' ASP . . . . . 0.45 ' HB2' HG22 ' C' ' 35' ' ' THR . 0.3 OUTLIER -120.42 131.55 54.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.471 -0.331 . . . . 10.0 111.499 -179.001 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 4.4 m -100.64 144.64 29.37 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.796 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -135.29 136.25 41.48 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.314 -0.403 . . . . 10.0 110.24 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 41' ' ' ARG . . . . . 0.615 ' HA ' ' O ' ' C' ' 53' ' ' LEU . 0.2 OUTLIER -124.1 129.11 50.3 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.713 0.292 . . . . 10.0 110.648 179.19 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -143.2 146.83 34.03 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.51 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -104.03 120.94 42.13 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.504 -0.554 . . . . 10.0 109.504 179.246 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 31.2 m -127.65 150.37 33.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.137 0.494 . . . . 10.0 111.131 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 22.2 t -112.64 82.88 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.096 -0.705 . . . . 10.0 109.096 179.408 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 34.5 pt -107.98 139.25 30.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.589 -179.331 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 47' ' ' ASP . . . . . 0.6 ' HA ' ' HB3' ' B' ' 128' ' ' LYS . 11.2 m-20 61.87 15.98 7.6 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.406 -0.816 . . . . 10.0 111.219 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 86.09 14.0 67.73 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.888 -0.672 . . . . 10.0 111.767 -179.397 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -118.11 134.93 54.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.778 0.323 . . . . 10.0 110.865 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -86.77 103.16 14.94 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.03 -1.1 . . . . 10.0 108.03 178.25 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 51' ' ' CYS . . . . . 0.434 ' HB3' ' CE2' ' C' ' 4' ' ' TYR . 0.8 OUTLIER -108.3 144.59 35.61 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 112.627 0.603 . . . . 10.0 112.627 -178.353 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 62.9 tp -104.21 113.98 27.91 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 108.315 -0.994 . . . . 10.0 108.315 178.172 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 53' ' ' LEU . . . . . 0.615 ' O ' ' HA ' ' C' ' 41' ' ' ARG . 33.1 mt -85.13 121.35 27.76 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 112.711 0.634 . . . . 10.0 112.711 -178.002 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 54' ' ' ASP . . . . . 0.579 ' OD1' ' HD2' ' C' ' 41' ' ' ARG . 26.5 t70 -109.75 74.63 0.9 Allowed 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 107.447 -1.316 . . . . 10.0 107.447 178.182 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 55' ' ' ILE . . . . . 0.529 ' HA ' ' O ' ' C' ' 6' ' ' LEU . 2.5 mt -86.79 158.36 3.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.415 -0.811 . . . . 10.0 111.761 -177.571 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 6.6 tp -152.24 120.99 6.51 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.323 -0.398 . . . . 10.0 111.307 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -97.33 116.49 29.64 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 108.575 -0.898 . . . . 10.0 108.575 177.713 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 58' ' ' THR . . . . . 0.553 HG21 ' CE1' ' C' ' 71' ' ' TYR . 0.6 OUTLIER -107.98 157.49 18.18 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.258 -0.428 . . . . 10.0 111.612 -178.914 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 59' ' ' ALA . . . . . 0.891 ' HB2' ' HA ' ' C' ' 36' ' ' ILE . . . -65.96 121.03 14.17 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.814 -0.63 . . . . 10.0 112.623 -179.347 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -103.03 41.93 2.01 Favored Glycine 0 N--CA 1.448 -0.512 0 N-CA-C 110.382 -1.087 . . . . 10.0 110.382 178.404 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -94.14 13.13 24.15 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.651 -0.275 . . . . 10.0 111.713 -178.785 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 68.13 172.16 0.28 Allowed 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.062 -0.517 . . . . 10.0 111.845 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 67.42 39.65 2.87 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.316 0.579 . . . . 10.0 109.651 -179.651 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -131.02 35.55 3.94 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.151 -0.932 . . . . 10.0 110.269 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 1.9 m -62.71 -24.43 67.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.933 -0.576 . . . . 10.0 111.797 -179.184 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.15 -40.59 9.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.957 0.408 . . . . 10.0 110.96 179.379 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 67' ' ' MET . . . . . 0.458 ' HA ' ' OE1' ' C' ' 70' ' ' GLN . 21.2 ttt -67.5 -41.19 84.9 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.972 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 68' ' ' ARG . . . . . 0.695 ' HB3' HE22 ' C' ' 99' ' ' GLN . 6.8 ttp180 -66.91 -12.84 60.74 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.991 -0.549 . . . . 10.0 111.632 -179.504 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -81.49 -23.38 37.39 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.021 -0.536 . . . . 10.0 111.172 -179.491 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 70' ' ' GLN . . . . . 0.458 ' OE1' ' HA ' ' C' ' 67' ' ' MET . 38.4 mt-30 -74.61 -73.73 0.23 Allowed 'General case' 0 C--O 1.234 0.285 0 N-CA-C 112.768 0.655 . . . . 10.0 112.768 -178.757 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 71' ' ' TYR . . . . . 0.629 ' CZ ' ' HA ' ' C' ' 68' ' ' ARG . 15.1 p90 -60.54 -11.32 6.74 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.426 0.899 . . . . 10.0 113.426 -178.176 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 72' ' ' MET . . . . . 0.586 ' SD ' ' HA ' ' C' ' 100' ' ' ILE . 26.2 ttm -71.84 -24.46 61.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.339 0.59 . . . . 10.0 110.345 179.274 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 69.0 mtt180 -80.8 -43.31 20.29 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.78 -0.646 . . . . 10.0 109.705 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -73.8 -41.67 62.03 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.542 -0.754 . . . . 10.0 112.065 -179.291 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.9 131.01 36.58 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 121.012 -0.613 . . . . 10.0 112.795 -179.352 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -96.07 -45.75 6.77 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.05 0.452 . . . . 10.0 110.518 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -108.99 131.94 10.83 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.95 -0.643 . . . . 10.0 111.775 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 78' ' ' PHE . . . . . 0.408 ' HZ ' ' HA ' ' C' ' 72' ' ' MET . 87.6 m-85 -113.96 122.0 45.62 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.8 0.333 . . . . 10.0 111.09 -179.731 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 79' ' ' LEU . . . . . 0.579 ' HG ' HG23 ' C' ' 81' ' ' VAL . 17.5 tp -91.83 106.98 18.88 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.873 -0.603 . . . . 10.0 110.465 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 2.7 m -84.96 85.15 7.51 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.857 -0.61 . . . . 10.0 110.819 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 81' ' ' VAL . . . . . 0.579 HG23 ' HG ' ' C' ' 79' ' ' LEU . 94.9 t -97.54 131.87 43.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.562 -0.745 . . . . 10.0 110.099 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 82' ' ' PHE . . . . . 0.729 ' HB2' ' HB2' ' C' ' 89' ' ' SER . 34.4 p90 -139.89 158.49 44.0 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.826 -0.625 . . . . 10.0 110.185 178.834 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -90.89 126.93 36.19 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.556 -0.535 . . . . 10.0 109.556 179.597 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 84' ' ' ILE . . . . . 0.571 ' CD1' ' HA ' ' C' ' 118' ' ' CYS . 21.4 pt -67.2 -17.99 23.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.929 0.395 . . . . 10.0 111.694 -179.166 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 19.9 p-10 -95.41 -8.03 36.7 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.488 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -120.73 103.18 8.91 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.981 0.42 . . . . 10.0 110.039 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.06 -24.78 67.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.956 -0.566 . . . . 10.0 112.523 -178.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -58.07 -44.38 87.51 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 120.95 0.405 . . . . 10.0 110.155 179.387 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 89' ' ' SER . . . . . 0.729 ' HB2' ' HB2' ' C' ' 82' ' ' PHE . 0.0 OUTLIER -66.59 -31.17 71.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.95 -0.568 . . . . 10.0 111.291 179.637 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -69.05 -39.75 78.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.037 -0.528 . . . . 10.0 111.096 -179.34 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 63.9 mt-10 -80.5 -27.8 37.66 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.902 0.382 . . . . 10.0 110.777 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.74 -21.45 66.76 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.97 -0.559 . . . . 10.0 111.164 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 93' ' ' ILE . . . . . 0.502 HD11 ' HB3' ' C' ' 82' ' ' PHE . 42.0 mm -57.16 -43.3 81.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 10.0 111.019 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -60.19 -36.3 77.31 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.123 -0.489 . . . . 10.0 110.853 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 50.6 m-70 -62.82 -42.01 99.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.369 179.564 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -69.02 -46.72 67.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.881 -0.6 . . . . 10.0 110.117 179.607 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -52.91 -51.36 61.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.692 -179.545 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -67.41 -37.23 82.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.312 -0.404 . . . . 10.0 112.03 -179.409 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 99' ' ' GLN . . . . . 0.695 HE22 ' HB3' ' C' ' 68' ' ' ARG . 26.5 tt0 -66.27 -47.0 75.12 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.606 -0.27 . . . . 10.0 110.797 -179.744 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 100' ' ' ILE . . . . . 0.586 ' HA ' ' SD ' ' C' ' 72' ' ' MET . 87.3 mt -60.12 -39.78 81.48 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 CA-C-O 121.092 0.473 . . . . 10.0 110.347 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 3.0 mtmt -67.56 -21.36 65.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.685 -0.689 . . . . 10.0 111.676 179.602 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 15.6 ttm180 -88.03 -47.17 8.72 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.35 0.595 . . . . 10.0 111.439 -179.639 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 103' ' ' VAL . . . . . 0.421 HG11 ' HB3' ' C' ' 72' ' ' MET . 60.8 t -64.8 -51.05 71.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.791 -0.64 . . . . 10.0 111.522 -179.299 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -79.52 -16.52 55.84 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 116.407 -0.36 . . . . 10.0 111.455 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 20.6 t0 58.12 32.83 22.51 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 121.448 0.642 . . . . 10.0 112.371 178.277 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 4.4 m -122.79 150.98 42.08 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.883 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -88.48 -48.8 7.34 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.632 -0.507 . . . . 10.0 109.632 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -76.48 98.61 4.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.401 -0.818 . . . . 10.0 110.298 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 109' ' ' VAL . . . . . 0.409 HG12 ' HG3' ' C' ' 111' ' ' MET . 76.3 t -119.41 110.03 37.92 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 115.563 -0.744 . . . . 10.0 109.905 -179.679 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -65.37 112.99 2.28 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.817 2.345 . . . . 10.0 111.153 179.033 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 111' ' ' MET . . . . . 0.409 ' HG3' HG12 ' C' ' 109' ' ' VAL . 56.3 mtm -137.94 163.8 30.6 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.504 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 75.5 t -139.12 127.43 27.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 108.872 -0.788 . . . . 10.0 108.872 179.455 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 113' ' ' LEU . . . . . 0.517 ' O ' ' HA ' ' C' ' 141' ' ' PHE . 14.0 tp -88.31 110.87 21.11 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.356 -0.609 . . . . 10.0 109.356 179.78 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 60.9 t -116.15 127.92 73.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 112.44 0.533 . . . . 10.0 112.44 -178.33 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -101.53 118.1 6.05 Favored Glycine 0 N--CA 1.444 -0.808 0 N-CA-C 109.284 -1.526 . . . . 10.0 109.284 178.54 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -100.44 158.38 15.95 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.927 0.364 . . . . 10.0 111.938 -178.573 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 79.2 mttt 64.83 41.54 4.92 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-N 115.547 -0.751 . . . . 10.0 112.09 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 118' ' ' CYS . . . . . 0.571 ' HA ' ' CD1' ' C' ' 84' ' ' ILE . 73.8 m -74.82 2.48 10.07 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.2 -0.454 . . . . 10.0 111.813 179.778 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -92.73 -9.35 40.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.007 0.432 . . . . 10.0 110.489 179.476 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 64.1 mt -74.81 132.82 77.01 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.894 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -72.38 139.25 31.47 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.539 2.16 . . . . 10.0 111.909 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 13.2 m 70.31 76.09 0.2 Allowed 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 115.582 -0.735 . . . . 10.0 111.636 -179.594 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 9.5 ptp180 -81.03 136.63 36.0 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.667 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -76.08 -48.78 19.5 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.881 0.372 . . . . 10.0 110.902 179.449 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 99.1 t -85.16 121.01 36.5 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 CA-C-N 116.299 -0.41 . . . . 10.0 110.772 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.5 137.58 34.58 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.949 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.24 -25.03 67.59 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.167 0.508 . . . . 10.0 110.258 179.19 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -51.88 -49.89 62.07 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 115.122 -0.944 . . . . 10.0 111.932 179.691 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -96.52 -16.72 20.95 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.972 0.36 . . . . 10.0 111.972 -179.274 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.85 -42.82 94.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.843 0.354 . . . . 10.0 110.663 179.601 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -81.81 -22.15 37.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.295 -0.411 . . . . 10.0 110.673 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 132' ' ' ASP . . . . . 0.421 ' O ' ' HB3' ' C' ' 135' ' ' ARG . 2.0 t70 -63.81 -40.07 95.76 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.921 -0.582 . . . . 10.0 110.04 178.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 13.4 tp -66.02 -38.25 87.97 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.378 -0.828 . . . . 10.0 109.711 179.516 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -68.85 -27.91 66.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.636 -0.711 . . . . 10.0 111.077 179.744 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 135' ' ' ARG . . . . . 0.484 ' HG2' ' HG3' ' B' ' 165' ' ' LYS . 3.7 tmm_? -57.19 -47.26 81.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.998 -0.547 . . . . 10.0 112.069 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.96 -21.15 55.2 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.898 0.38 . . . . 10.0 112.009 -179.128 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 15.3 m-30 -83.2 -33.62 26.11 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.736 0.303 . . . . 10.0 110.981 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 91.18 16.58 53.36 Favored Glycine 0 N--CA 1.451 -0.332 0 N-CA-C 110.975 -0.85 . . . . 10.0 110.975 -179.444 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 49.9 pt -106.12 154.49 39.57 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 115.276 -0.462 . . . . 10.0 110.197 -179.425 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -88.72 150.74 6.13 Favored 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 122.353 2.035 . . . . 10.0 112.805 179.546 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 141' ' ' PHE . . . . . 0.517 ' HA ' ' O ' ' C' ' 113' ' ' LEU . 76.9 t80 -113.78 128.7 56.52 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.205 -0.665 . . . . 10.0 109.205 178.851 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 54.9 mt -123.07 126.16 73.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.046 0.451 . . . . 10.0 111.969 -179.285 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -83.63 128.75 34.76 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.718 -1.215 . . . . 10.0 107.718 177.763 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 5.7 p -137.36 160.26 39.59 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 114.088 1.144 . . . . 10.0 114.088 -178.203 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 26.0 t -153.71 108.91 3.17 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.398 -1.274 . . . . 10.0 107.626 177.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 146' ' ' ALA . . . . . 0.411 ' HA ' HG21 ' C' ' 152' ' ' VAL . . . -69.35 -24.79 63.95 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.334 -0.394 . . . . 10.0 111.524 -179.102 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -63.97 -42.43 97.26 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.957 179.462 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 7.9 p -93.76 -14.1 26.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.357 -0.383 . . . . 10.0 111.392 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 59.75 48.22 9.46 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.94 -179.313 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -118.43 112.48 20.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.849 -0.614 . . . . 10.0 112.005 -179.376 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 84.84 -11.86 58.67 Favored Glycine 0 N--CA 1.452 -0.248 0 CA-C-N 115.847 -0.615 . . . . 10.0 113.58 178.781 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 152' ' ' VAL . . . . . 0.411 HG21 ' HA ' ' C' ' 146' ' ' ALA . 38.6 t -63.4 -42.44 96.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.742 0.306 . . . . 10.0 111.744 -178.828 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.26 -54.98 37.19 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.861 -0.609 . . . . 10.0 111.761 -179.095 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -65.44 -24.02 67.08 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 112.661 0.615 . . . . 10.0 112.661 -178.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -59.89 -44.17 94.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.018 0.437 . . . . 10.0 110.512 179.461 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 156' ' ' PHE . . . . . 0.568 ' HZ ' ' HB3' ' C' ' 19' ' ' LEU . 23.2 m-85 -68.3 -38.57 81.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.653 -0.703 . . . . 10.0 110.461 179.78 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 15.2 m-30 -66.37 -38.29 87.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.882 -0.599 . . . . 10.0 111.113 -179.398 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 37.3 m -63.68 -35.21 79.8 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.198 -0.455 . . . . 10.0 110.125 179.563 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 159' ' ' LEU . . . . . 0.455 HD22 HD13 ' C' ' 79' ' ' LEU . 33.5 tp -63.27 -37.89 89.03 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 116.17 -0.468 . . . . 10.0 109.754 178.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 160' ' ' VAL . . . . . 0.582 HG22 HD11 ' C' ' 6' ' ' LEU . 44.0 t -70.67 -40.88 77.53 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 CA-C-N 115.753 -0.658 . . . . 10.0 110.17 179.316 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 161' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' C' ' 161' ' ' ARG . 28.5 mtm-85 -62.37 -36.83 83.49 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.228 -0.442 . . . . 10.0 111.867 -179.664 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -61.0 -30.0 70.03 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.611 -0.268 . . . . 10.0 110.905 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 163' ' ' ILE . . . . . 0.486 HG22 ' HE3' ' C' ' 167' ' ' LYS . 46.0 mm -68.76 -43.66 82.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.064 178.725 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 33.2 ttm180 -68.12 -39.2 82.8 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 109.125 -0.695 . . . . 10.0 109.125 179.272 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.76 -40.21 91.64 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.336 -0.847 . . . . 10.0 109.425 178.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 15.9 t-80 -65.47 -44.26 87.72 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.606 -0.725 . . . . 10.0 110.293 179.121 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 167' ' ' LYS . . . . . 0.486 ' HE3' HG22 ' C' ' 163' ' ' ILE . 97.3 mttt . . . . . 0 C--O 1.235 0.323 0 CA-C-N 116.33 -0.395 . . . . 10.0 110.846 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 18.2 tttm . . . . . 0 N--CA 1.454 -0.235 0 CA-C-O 120.684 0.278 . . . . 10.0 111.323 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 96.4 mt -65.66 -29.0 69.51 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.903 0.334 . . . . 10.0 111.903 -179.2 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 45.8 mt -82.2 -50.9 8.48 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.51 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -63.32 -43.42 97.83 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.579 -0.737 . . . . 10.0 112.495 -179.055 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -69.95 -23.73 63.24 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.845 0.355 . . . . 10.0 111.409 -179.471 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 27.6 t90 -77.82 -26.3 49.46 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.212 0.53 . . . . 10.0 109.654 179.153 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -61.48 -28.8 69.55 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.427 -0.806 . . . . 10.0 110.9 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -74.2 -25.76 59.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.825 -0.625 . . . . 10.0 109.654 178.613 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 5.0 t -77.18 -46.42 28.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.153 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -59.39 -44.19 92.82 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.749 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 2.3 p -62.05 -42.59 99.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.801 0.334 . . . . 10.0 110.366 179.633 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 40.2 m -63.75 -39.45 94.3 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 109.693 -0.484 . . . . 10.0 109.693 178.77 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -62.12 -42.48 99.28 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 116.111 -0.495 . . . . 10.0 109.791 178.722 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 14.1 m -63.13 -44.89 94.3 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.956 -0.566 . . . . 10.0 110.128 179.18 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 45.1 mmtt -61.89 -43.27 99.18 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 115.946 -0.57 . . . . 10.0 109.849 178.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 217' ' ' LEU . . . . . 0.562 ' O ' ' HG ' ' A' ' 221' ' ' LEU . 21.0 mt -59.74 -43.23 94.34 Favored 'General case' 0 C--O 1.221 -0.408 0 CA-C-N 115.696 -0.684 . . . . 10.0 110.135 178.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 -65.44 -31.79 73.06 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.107 0.479 . . . . 10.0 110.918 179.077 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -69.37 -27.95 65.77 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 109.282 -0.636 . . . . 10.0 109.282 178.472 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -87.95 -34.98 17.91 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.448 -0.796 . . . . 10.0 109.756 179.28 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 221' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' A' ' 217' ' ' LEU . 30.6 mt -55.97 -36.49 67.9 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 115.749 -0.659 . . . . 10.0 111.747 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -54.42 -68.88 1.44 Allowed Glycine 0 C--N 1.335 0.504 0 N-CA-C 110.702 -0.959 . . . . 10.0 110.702 178.308 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -55.68 -39.92 88.3 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.514 2.143 . . . . 10.0 111.403 177.464 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 224' ' ' VAL . . . . . 0.426 ' O ' ' HB2' ' A' ' 228' ' ' PHE . 11.4 t -56.27 -54.02 32.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-N 116.564 -0.289 . . . . 10.0 111.669 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 11.7 p -64.77 -36.5 84.5 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.892 -0.323 . . . . 10.0 110.499 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -63.5 -51.0 67.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.639 179.206 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -66.86 -36.55 82.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.078 0.466 . . . . 10.0 110.231 179.556 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 228' ' ' PHE . . . . . 0.426 ' HB2' ' O ' ' A' ' 224' ' ' VAL . 3.4 t80 -66.66 -50.61 62.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.504 179.352 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -66.31 -34.77 78.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.056 -0.52 . . . . 10.0 111.079 179.637 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -61.43 -43.28 99.14 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.626 -0.509 . . . . 10.0 109.626 179.177 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 231' ' ' ASN . . . . . 0.618 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 85.6 m-20 -72.49 -35.58 68.21 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 115.731 -0.668 . . . . 10.0 110.106 178.64 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 41.5 mt -60.8 -38.59 85.88 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.378 -0.601 . . . . 10.0 109.378 178.583 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 233' ' ' GLU . . . . . 0.459 ' O ' ' HB2' ' A' ' 237' ' ' GLU . 6.7 mm-40 -65.14 -31.21 72.29 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.732 -0.667 . . . . 10.0 110.734 178.718 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 234' ' ' LYS . . . . . 0.618 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 74.4 mttt -72.29 -43.58 64.02 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.343 -0.614 . . . . 10.0 109.343 179.376 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 235' ' ' GLU . . . . . 0.505 ' HG3' ' ND2' ' D' ' 539' ' ' ASN . 43.7 mt-10 -63.95 -44.65 92.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.164 179.053 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 6.4 p -67.8 -40.18 83.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.709 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 237' ' ' GLU . . . . . 0.617 ' HA ' ' HD2' ' A' ' 240' ' ' ARG . 20.5 tt0 -59.96 -41.2 91.43 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 109.893 -0.41 . . . . 10.0 109.893 179.046 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -62.14 -45.18 96.59 Favored Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 110.186 -1.165 . . . . 10.0 110.186 177.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 239' ' ' LEU . . . . . 0.458 ' HA ' ' HB2' ' A' ' 242' ' ' GLU . 94.0 mt -65.95 -31.02 71.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.906 0.384 . . . . 10.0 110.491 179.137 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 240' ' ' ARG . . . . . 0.617 ' HD2' ' HA ' ' A' ' 237' ' ' GLU . 64.2 mtt180 -66.11 -38.93 89.42 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 109.601 -0.518 . . . . 10.0 109.601 178.818 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -74.81 -36.06 62.47 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.857 -0.794 . . . . 10.0 108.857 178.167 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 242' ' ' GLU . . . . . 0.458 ' HB2' ' HA ' ' A' ' 239' ' ' LEU . 21.3 mt-10 -65.04 -27.17 68.61 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.474 -0.785 . . . . 10.0 110.13 178.299 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 243' ' ' MET . . . . . 0.849 ' HG3' HD12 ' A' ' 247' ' ' LEU . 41.0 ttm -55.41 -34.2 64.18 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.362 179.208 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.99 -2.81 10.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.801 -0.636 . . . . 10.0 111.051 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 245' ' ' LYS . . . . . 0.775 ' HA ' ' HG3' ' A' ' 249' ' ' GLU . 58.0 mttm -130.55 -61.68 0.95 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.408 -0.36 . . . . 10.0 110.511 179.636 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 246' ' ' ASP . . . . . 0.673 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 20.6 t70 -54.75 -34.36 62.46 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.948 -178.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 247' ' ' LEU . . . . . 0.849 HD12 ' HG3' ' A' ' 243' ' ' MET . 96.3 mt -107.48 -44.04 4.39 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.454 -0.339 . . . . 10.0 111.837 -179.664 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -65.4 -42.04 93.0 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.651 0.612 . . . . 10.0 112.651 -179.613 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 249' ' ' GLU . . . . . 0.775 ' HG3' ' HA ' ' A' ' 245' ' ' LYS . 52.2 mt-10 -67.89 -36.86 80.97 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.793 -0.363 . . . . 10.0 110.229 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 250' ' ' VAL . . . . . 0.725 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 1.6 p -69.68 -20.84 23.98 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.388 0 CA-C-O 121.045 0.45 . . . . 10.0 110.439 179.434 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 23.0 mmtp -79.99 -42.5 23.76 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.077 -0.712 . . . . 10.0 109.077 178.049 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -73.11 -40.62 64.81 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.721 -0.672 . . . . 10.0 110.731 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -77.61 -19.67 55.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.077 -0.511 . . . . 10.0 111.675 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 254' ' ' VAL . . . . . 0.725 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.3 OUTLIER -61.25 -26.68 39.98 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.152 0 N-CA-C 109.989 -0.375 . . . . 10.0 109.989 179.466 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 255' ' ' GLN . . . . . 0.495 ' HB2' ' CD ' ' A' ' 256' ' ' PRO . 73.6 mt-30 -63.3 -66.25 1.64 Allowed Pre-proline 0 CA--C 1.536 0.413 0 CA-C-N 115.855 -0.612 . . . . 10.0 110.823 179.424 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 256' ' ' PRO . . . . . 0.495 ' CD ' ' HB2' ' A' ' 255' ' ' GLN . 19.2 Cg_endo -61.72 -32.53 86.57 Favored 'Trans proline' 0 C--N 1.357 1.014 0 C-N-CA 121.792 1.661 . . . . 10.0 111.849 179.494 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 5.3 m-30 -64.89 -53.63 43.47 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.451 -0.34 . . . . 10.0 110.649 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 64.3 mt -71.61 -36.3 70.75 Favored 'General case' 0 C--O 1.222 -0.393 0 CA-C-N 116.323 -0.399 . . . . 10.0 110.769 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -62.67 -42.23 99.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.686 0.279 . . . . 10.0 111.231 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -64.99 -44.74 88.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.037 0.446 . . . . 10.0 109.953 179.135 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -67.88 -42.4 81.29 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.655 -0.702 . . . . 10.0 110.794 179.106 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -62.56 -44.94 95.09 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.448 -0.342 . . . . 10.0 110.543 179.544 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 263' ' ' LYS . . . . . 0.473 ' O ' ' HG3' ' A' ' 267' ' ' GLU . 1.3 ttmp? -62.87 -44.41 96.18 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.742 -0.466 . . . . 10.0 109.742 179.513 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 264' ' ' LYS . . . . . 0.763 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 35.9 mttt -64.23 -38.47 91.16 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.792 -0.64 . . . . 10.0 109.974 178.734 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -66.15 -37.27 85.27 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.801 -0.636 . . . . 10.0 110.172 178.583 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -61.41 -44.97 96.22 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.857 -0.794 . . . . 10.0 108.857 178.014 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 267' ' ' GLU . . . . . 0.473 ' HG3' ' O ' ' A' ' 263' ' ' LYS . 52.8 mt-10 -64.93 -44.66 88.78 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.706 -0.679 . . . . 10.0 109.45 178.604 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -58.88 -51.31 70.56 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.745 -0.661 . . . . 10.0 110.966 179.293 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 28.8 mmm -62.42 -43.36 98.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.888 -0.597 . . . . 10.0 111.354 -179.373 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -63.64 -45.51 89.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.397 -0.365 . . . . 10.0 110.374 178.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 52.1 mt -61.87 -37.36 84.26 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-O 121.045 0.45 . . . . 10.0 110.163 178.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -64.93 -38.26 90.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 10.0 109.956 178.793 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 273' ' ' ARG . . . . . 0.619 ' HA ' HG12 ' A' ' 276' ' ' VAL . 78.7 mtt180 -70.7 -41.98 71.25 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.276 0.56 . . . . 10.0 110.07 179.134 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -64.63 -19.59 65.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.167 -0.924 . . . . 10.0 110.079 179.505 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 275' ' ' LYS . . . . . 0.687 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 12.8 mptt -98.35 -46.58 5.74 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.993 -0.548 . . . . 10.0 110.552 179.387 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 276' ' ' VAL . . . . . 0.619 HG12 ' HA ' ' A' ' 273' ' ' ARG . 3.9 p -54.93 -31.51 24.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 112.768 0.655 . . . . 10.0 112.768 -178.778 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -66.06 -63.88 2.84 Favored Pre-proline 0 CA--C 1.536 0.417 0 N-CA-C 111.641 0.237 . . . . 10.0 111.641 179.255 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -64.18 -36.13 48.64 Favored 'Trans proline' 0 C--N 1.356 0.931 0 C-N-CA 121.849 1.699 . . . . 10.0 112.435 178.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 279' ' ' LEU . . . . . 0.848 HD22 ' HE3' ' D' ' 495' ' ' LYS . 19.2 mt -63.18 -36.17 82.74 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-O 120.749 0.309 . . . . 10.0 110.202 179.684 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -64.81 -34.96 79.59 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 116.181 -0.463 . . . . 10.0 109.83 179.046 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -62.25 -47.14 85.68 Favored 'General case' 0 C--N 1.332 -0.168 0 O-C-N 123.279 0.362 . . . . 10.0 110.184 179.312 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -62.9 -39.9 95.91 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.7 -0.682 . . . . 10.0 110.19 179.353 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 84.6 mt -70.45 -38.86 74.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.922 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -67.92 -55.48 12.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.343 -0.389 . . . . 10.0 110.549 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -62.65 -38.21 89.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.923 -0.581 . . . . 10.0 110.92 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -66.18 -45.99 82.87 Favored Glycine 0 N--CA 1.444 -0.788 0 N-CA-C 111.093 -0.803 . . . . 10.0 111.093 178.6 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -61.43 -38.57 87.65 Favored 'General case' 0 CA--C 1.517 -0.318 0 N-CA-C 110.354 -0.239 . . . . 10.0 110.354 179.196 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 65.5 mtt180 -55.78 -50.03 71.56 Favored 'General case' 0 CA--C 1.52 -0.18 0 O-C-N 123.575 0.547 . . . . 10.0 110.411 179.11 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 4.2 tm0? -66.38 -45.53 79.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.965 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -60.46 -44.65 95.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.345 -0.389 . . . . 10.0 111.062 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 68.1 mt -65.15 -39.06 92.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 10.0 109.873 178.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -64.52 -44.45 90.86 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 115.893 -0.594 . . . . 10.0 109.767 178.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.73 -42.66 84.31 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 121.41 0.624 . . . . 10.0 109.619 178.855 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 95.6 mt -66.28 -43.92 85.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.53 -0.759 . . . . 10.0 110.123 178.702 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -63.13 -34.6 77.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.207 -0.451 . . . . 10.0 110.915 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -65.07 -11.53 40.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.934 -0.576 . . . . 10.0 110.924 179.48 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 297' ' ' LYS . . . . . 0.507 ' O ' ' HB2' ' A' ' 301' ' ' LEU . 29.2 mmtp -114.64 -38.55 3.97 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.321 178.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 298' ' ' LEU . . . . . 0.51 ' O ' ' HA3' ' A' ' 302' ' ' GLY . 61.4 mt -59.2 -28.59 66.79 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.72 0.637 . . . . 10.0 112.72 -179.409 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 299' ' ' SER . . . . . . . . . . . . . 20.1 m -84.21 -63.02 0.25 Allowed Pre-proline 0 CA--C 1.539 0.539 0 N-CA-C 112.853 0.686 . . . . 10.0 112.853 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 300' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -64.13 -50.02 3.25 Favored 'Trans proline' 0 C--N 1.355 0.883 0 C-N-CA 121.468 1.445 . . . . 10.0 111.834 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 301' ' ' LEU . . . . . 0.664 HD13 ' HG2' ' D' ' 473' ' ' LYS . 95.7 mt -72.77 -25.51 61.2 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.95 -0.389 . . . . 10.0 109.95 179.743 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 302' ' ' GLY . . . . . 0.51 ' HA3' ' O ' ' A' ' 298' ' ' LEU . . . -67.53 -46.75 66.94 Favored Glycine 0 N--CA 1.448 -0.546 0 N-CA-C 110.135 -1.186 . . . . 10.0 110.135 178.29 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -68.63 -34.19 75.31 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.633 -0.506 . . . . 10.0 109.633 178.08 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -65.66 -36.0 82.41 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.831 -0.803 . . . . 10.0 108.831 178.611 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 15.3 tpt -63.55 -41.09 98.45 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 108.803 -0.814 . . . . 10.0 108.803 178.154 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 306' ' ' ARG . . . . . 0.45 ' HG3' ' O ' ' A' ' 302' ' ' GLY . 72.4 mtt180 -68.53 -40.03 80.9 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.416 -0.811 . . . . 10.0 109.329 179.107 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -59.26 -45.18 91.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.419 -0.809 . . . . 10.0 109.633 178.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 308' ' ' ARG . . . . . 0.69 ' HG3' HD11 ' D' ' 469' ' ' LEU . 21.4 mmt180 -72.31 -33.14 67.15 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.495 -0.775 . . . . 10.0 110.354 178.742 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 309' ' ' ALA . . . . . 0.553 ' HA ' ' HB2' ' A' ' 312' ' ' HIS . . . -65.96 -32.65 74.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.063 -0.517 . . . . 10.0 109.721 178.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 310' ' ' ARG . . . . . 0.497 ' O ' ' HB2' ' A' ' 314' ' ' ASP . 97.1 mtt180 -58.75 -54.99 40.87 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 108.68 -0.859 . . . . 10.0 108.68 177.848 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -63.58 -38.39 90.93 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 115.762 -0.654 . . . . 10.0 109.997 179.222 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 312' ' ' HIS . . . . . 0.553 ' HB2' ' HA ' ' A' ' 309' ' ' ALA . 0.1 OUTLIER -52.55 -54.7 29.26 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 115.827 -0.624 . . . . 10.0 110.079 178.941 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 47.6 t -76.34 -36.93 30.45 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 CA-C-N 115.775 -0.648 . . . . 10.0 111.753 -179.368 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 314' ' ' ASP . . . . . 0.497 ' HB2' ' O ' ' A' ' 310' ' ' ARG . 0.4 OUTLIER -61.23 -46.5 90.13 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.842 0.353 . . . . 10.0 111.014 -179.661 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -65.35 -32.01 73.43 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.546 -0.539 . . . . 10.0 109.546 178.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 12.0 mt -67.69 -49.01 64.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.589 -0.732 . . . . 10.0 109.31 178.377 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 317' ' ' ARG . . . . . 0.438 HH11 ' HD2' ' A' ' 317' ' ' ARG . 35.2 ttm105 -60.58 -40.28 91.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.063 179.216 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 86.4 m -61.1 -30.38 70.32 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.489 -0.778 . . . . 10.0 110.729 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 27.5 m80 -91.25 -36.12 14.08 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.362 -0.381 . . . . 10.0 110.42 179.05 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 35.4 mt -63.58 -37.14 86.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.847 -0.615 . . . . 10.0 112.506 -179.55 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 321' ' ' ALA . . . . . 0.408 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -53.52 -60.07 7.95 Favored Pre-proline 0 CA--C 1.536 0.435 0 N-CA-C 111.829 0.307 . . . . 10.0 111.829 179.408 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 322' ' ' PRO . . . . . 0.408 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 31.7 Cg_endo -67.54 -32.88 30.38 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 121.631 1.554 . . . . 10.0 111.179 178.225 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 323' ' ' TYR . . . . . 0.518 ' O ' ' HB2' ' A' ' 327' ' ' LEU . 4.7 m-30 -61.29 -46.48 90.14 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-N 116.569 -0.287 . . . . 10.0 110.874 179.567 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 324' ' ' SER . . . . . 0.416 ' O ' ' HG3' ' A' ' 328' ' ' ARG . 12.8 p -71.74 -34.17 69.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.065 0.459 . . . . 10.0 109.924 179.327 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -60.5 -51.68 68.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.769 -0.65 . . . . 10.0 109.384 178.436 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -69.44 -27.96 65.7 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.892 -0.595 . . . . 10.0 109.816 178.622 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 327' ' ' LEU . . . . . 0.518 ' HB2' ' O ' ' A' ' 323' ' ' TYR . 0.5 OUTLIER -65.22 -38.37 90.18 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.341 -0.614 . . . . 10.0 109.341 178.541 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 328' ' ' ARG . . . . . 0.416 ' HG3' ' O ' ' A' ' 324' ' ' SER . 63.6 mtt180 -65.18 -35.77 82.11 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.369 -0.604 . . . . 10.0 109.369 178.343 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -67.58 -42.36 82.65 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 108.249 -1.019 . . . . 10.0 108.249 178.115 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 330' ' ' ARG . . . . . 0.651 HH21 ' HB3' ' D' ' 447' ' ' GLU . 22.3 mtt-85 -63.1 -46.37 87.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.311 -0.858 . . . . 10.0 110.071 179.127 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 89.3 mt -56.72 -43.31 80.47 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.646 -0.501 . . . . 10.0 109.646 179.038 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -65.24 -46.46 80.48 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.644 -0.707 . . . . 10.0 110.251 179.003 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -59.83 -42.71 94.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.953 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 334' ' ' ARG . . . . . 0.559 ' HD2' ' OE1' ' D' ' 440' ' ' GLU . 8.7 mmt180 -67.75 -48.48 66.29 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.038 179.462 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 56.1 mt -63.45 -39.3 94.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.86 -0.609 . . . . 10.0 112.275 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -60.15 -49.51 77.35 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 120.907 0.384 . . . . 10.0 110.266 179.143 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -65.48 -45.56 83.19 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.806 -0.634 . . . . 10.0 110.238 179.445 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 23.7 mt -64.23 -23.5 67.33 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.2 -0.454 . . . . 10.0 112.104 179.657 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -85.71 -47.95 9.3 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 122.058 -0.401 . . . . 10.0 110.7 179.193 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.01 -41.61 97.41 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.044 0.449 . . . . 10.0 109.875 179.454 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -75.95 -35.72 59.59 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.823 -0.806 . . . . 10.0 108.823 178.058 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -61.45 -44.38 98.09 Favored Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 115.648 -0.706 . . . . 10.0 111.544 179.193 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -61.75 -36.57 92.92 Favored Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 110.482 -1.047 . . . . 10.0 110.482 178.708 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -66.59 -43.81 83.87 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 109.322 -0.621 . . . . 10.0 109.322 178.616 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 345' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 345' ' ' ARG . 16.5 mtm180 -62.83 -44.07 97.12 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.27 179.1 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 346' ' ' LEU . . . . . 0.483 ' O ' ' HB2' ' A' ' 350' ' ' HIS . 56.1 mt -60.74 -43.37 98.02 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.791 179.479 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -66.87 -36.68 82.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.196 0.522 . . . . 10.0 109.863 178.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 348' ' ' GLU . . . . . 0.487 ' O ' ' HG3' ' A' ' 352' ' ' LYS . 8.1 mt-10 -66.38 -52.78 43.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.67 -0.695 . . . . 10.0 110.012 178.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -63.69 -29.54 70.76 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.035 -0.53 . . . . 10.0 111.012 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 350' ' ' HIS . . . . . 0.483 ' HB2' ' O ' ' A' ' 346' ' ' LEU . 0.3 OUTLIER -65.88 -44.3 85.72 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.39 -0.967 . . . . 10.0 108.39 178.102 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -67.78 -43.63 79.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.394 -0.821 . . . . 10.0 109.847 179.226 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 352' ' ' LYS . . . . . 0.487 ' HG3' ' O ' ' A' ' 348' ' ' GLU . 28.1 mttm -59.49 -42.23 91.67 Favored 'General case' 0 C--O 1.225 -0.201 0 CA-C-N 115.813 -0.631 . . . . 10.0 110.026 178.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -60.01 -41.12 91.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.857 -0.61 . . . . 10.0 110.016 178.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 7.8 m -63.39 -41.97 98.79 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.187 -0.46 . . . . 10.0 109.941 178.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -68.65 -33.17 73.53 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.546 179.266 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 10.3 m-70 -72.43 -32.04 65.99 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 109.148 -0.686 . . . . 10.0 109.148 178.303 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 33.2 mt -72.08 -38.49 69.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.017 -0.538 . . . . 10.0 111.211 179.559 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.19 -47.04 78.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.952 0.406 . . . . 10.0 110.079 179.162 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 7.5 p -69.47 -29.27 66.91 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.945 -0.571 . . . . 10.0 109.693 179.299 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 360' ' ' LEU . . . . . 0.469 ' HA ' ' HE3' ' A' ' 363' ' ' LYS . 51.6 tp -68.54 -32.98 73.31 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 108.788 -0.819 . . . . 10.0 108.788 178.132 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 50.9 m -65.72 -32.0 73.3 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.783 -0.644 . . . . 10.0 109.782 179.201 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -68.22 -19.56 64.76 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.694 0.759 . . . . 10.0 109.513 178.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 363' ' ' LYS . . . . . 0.729 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 51.7 mtmt -99.32 -32.28 11.26 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.487 -0.779 . . . . 10.0 110.018 178.828 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -75.44 -29.07 59.58 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.851 -0.613 . . . . 10.0 112.057 -179.575 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 365' ' ' LYS . . . . . 0.979 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 66.9 mttt -106.67 -73.44 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.436 0 N-CA-C 112.521 0.563 . . . . 10.0 112.521 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 366' ' ' PRO . . . . . 0.979 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 51.8 Cg_exo -58.31 -53.27 4.31 Favored 'Trans proline' 0 C--N 1.36 1.177 0 C-N-CA 122.22 1.947 . . . . 10.0 113.02 -179.531 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 367' ' ' ALA . . . . . 0.729 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -63.3 -50.21 70.96 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.242 0.46 . . . . 10.0 112.242 -179.582 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 368' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 368' ' ' LEU . 7.8 mt -61.0 -40.79 94.86 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.706 0.261 . . . . 10.0 111.706 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -66.81 -41.83 86.91 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.858 -0.423 . . . . 10.0 109.858 179.114 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -60.55 -45.79 92.57 Favored 'General case' 0 C--O 1.232 0.143 0 N-CA-C 109.197 -0.668 . . . . 10.0 109.197 178.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 91.7 mt -63.1 -40.91 99.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.563 -0.744 . . . . 10.0 109.955 178.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 86.0 mtt180 -61.63 -47.17 86.61 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.48 178.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 373' ' ' GLN . . . . . 0.468 ' HA ' HD12 ' A' ' 376' ' ' LEU . 84.8 mt-30 -64.75 -33.73 76.65 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.68 -0.691 . . . . 10.0 110.36 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -73.65 -34.2 57.06 Favored Glycine 0 N--CA 1.447 -0.581 0 N-CA-C 111.022 -0.831 . . . . 10.0 111.022 178.752 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 375' ' ' LEU . . . . . 0.496 ' O ' ' HG ' ' A' ' 379' ' ' LEU . 61.8 mt -70.55 -28.8 65.2 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 115.791 -0.204 . . . . 10.0 111.328 179.603 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 376' ' ' LEU . . . . . 0.468 HD12 ' HA ' ' A' ' 373' ' ' GLN . 77.8 mt -49.24 -62.56 2.31 Favored Pre-proline 0 CA--C 1.534 0.356 0 N-CA-C 112.352 0.501 . . . . 10.0 112.352 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 377' ' ' PRO . . . . . 0.446 ' HD3' ' HB2' ' A' ' 376' ' ' LEU . 54.7 Cg_endo -71.38 -25.91 21.08 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 121.575 1.516 . . . . 10.0 111.313 179.05 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 378' ' ' VAL . . . . . 0.467 ' HB ' ' HA ' ' A' ' 375' ' ' LEU . 4.3 t -63.04 -44.36 99.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 109.618 -0.512 . . . . 10.0 109.618 179.101 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 379' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 375' ' ' LEU . 67.8 mt -66.54 -32.59 74.03 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.381 -0.6 . . . . 10.0 109.381 178.81 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 380' ' ' GLU . . . . . 0.473 ' O ' HG23 ' A' ' 384' ' ' VAL . 40.3 mm-40 -63.59 -48.95 75.31 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.969 -0.56 . . . . 10.0 109.515 178.529 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.31 -32.62 73.39 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 110.033 -0.358 . . . . 10.0 110.033 178.64 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -66.75 -42.97 85.32 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-N 116.186 -0.461 . . . . 10.0 109.999 178.715 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 383' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 379' ' ' LEU . 87.7 mttt -61.32 -47.82 84.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.14 179.122 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 384' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 380' ' ' GLU . 56.1 t -59.06 -43.54 89.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.764 -0.653 . . . . 10.0 111.235 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 4.8 p -73.18 -40.93 64.41 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.164 0.431 . . . . 10.0 112.164 -179.432 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -64.54 -45.84 85.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.607 -0.27 . . . . 10.0 111.169 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 387' ' ' LEU . . . . . 0.467 ' O ' ' HG3' ' A' ' 391' ' ' GLU . 95.1 mt -60.71 -51.61 68.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.3 -0.409 . . . . 10.0 111.388 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 388' ' ' SER . . . . . 0.595 ' HB2' ' HE2' ' D' ' 594' ' ' LYS . 5.6 p -60.38 -40.67 91.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.299 -0.41 . . . . 10.0 111.098 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -61.07 -44.41 97.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.817 0.341 . . . . 10.0 110.532 179.316 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 74.0 mt -59.65 -41.15 89.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.481 . . . . 10.0 109.987 179.528 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 391' ' ' GLU . . . . . 0.467 ' HG3' ' O ' ' A' ' 387' ' ' LEU . 8.9 mt-10 -67.14 -41.16 86.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.103 -0.498 . . . . 10.0 109.884 179.032 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -57.67 -50.29 73.67 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 115.955 -0.566 . . . . 10.0 111.199 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -61.44 -44.28 97.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.747 -0.661 . . . . 10.0 110.759 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 50.7 m -65.41 -38.32 89.57 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.111 -0.495 . . . . 10.0 112.043 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 46.2 mtmt -66.79 -35.23 79.59 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.731 0.641 . . . . 10.0 112.731 -179.139 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 396' ' ' LYS . . . . . 0.559 ' HG2' ' HB2' ' D' ' 587' ' ' ALA . 0.6 OUTLIER -97.09 -44.58 6.91 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 113.934 1.087 . . . . 10.0 113.934 -177.898 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 83.1 mt -76.51 -23.73 53.72 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.667 0.618 . . . . 10.0 112.667 -178.622 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 45.3 t30 . . . . . 0 C--N 1.324 -0.536 0 CA-C-O 120.885 0.374 . . . . 10.0 111.291 -179.125 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' D' D ' 399' ' ' LEU . . . . . 0.422 HD13 ' HA ' ' D' ' 399' ' ' LEU . 3.9 mm? . . . . . 0 CA--C 1.522 -0.116 0 CA-C-O 121.202 0.525 . . . . 10.0 110.752 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.85 30.94 5.87 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.76 -0.655 . . . . 10.0 109.961 179.532 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 401' ' ' LEU . . . . . 0.424 ' HG ' ' H ' ' D' ' 401' ' ' LEU . 4.3 mt -58.69 -49.07 78.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.247 -0.888 . . . . 10.0 110.283 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 71.0 mt -64.05 -33.75 76.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.376 -0.829 . . . . 10.0 110.943 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.87 -51.25 63.03 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.94 -0.573 . . . . 10.0 109.611 179.36 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 404' ' ' ASN . . . . . 0.454 ' O ' HG23 ' D' ' 408' ' ' VAL . 27.6 t-20 -63.9 -40.74 97.22 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-O 120.979 0.419 . . . . 10.0 110.318 179.294 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 1.6 m95 -59.73 -39.13 83.68 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.099 178.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -60.98 -46.69 89.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.769 -0.65 . . . . 10.0 110.401 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 1.5 m -60.73 -44.83 96.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.745 -0.661 . . . . 10.0 110.194 179.14 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 408' ' ' VAL . . . . . 0.454 HG23 ' O ' ' D' ' 404' ' ' ASN . 62.9 t -64.05 -41.81 93.66 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.478 179.523 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 33.9 m -61.78 -38.26 87.38 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 109.656 -0.498 . . . . 10.0 109.656 178.594 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 35.4 m -64.64 -40.53 95.61 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 109.286 -0.635 . . . . 10.0 109.286 178.589 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 411' ' ' THR . . . . . 0.568 HG23 ' HD3' ' A' ' 363' ' ' LYS . 11.0 m -63.12 -43.69 97.7 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 109.693 -0.484 . . . . 10.0 109.693 178.324 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -60.48 -38.8 85.43 Favored 'General case' 0 C--O 1.232 0.155 0 N-CA-C 109.595 -0.521 . . . . 10.0 109.595 178.626 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 413' ' ' SER . . . . . 0.533 ' O ' ' HG3' ' D' ' 417' ' ' GLU . 36.5 m -63.69 -46.11 87.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.669 -0.696 . . . . 10.0 109.643 178.698 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 414' ' ' LYS . . . . . 0.488 ' HD3' ' HA ' ' D' ' 414' ' ' LYS . 37.2 mmtt -60.16 -35.02 74.41 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.378 179.239 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 75.0 mt -66.92 -40.7 87.71 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.033 178.563 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 61.3 mtt180 -66.71 -36.17 81.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.134 -0.484 . . . . 10.0 110.633 179.452 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 417' ' ' GLU . . . . . 0.533 ' HG3' ' O ' ' D' ' 413' ' ' SER . 44.9 mt-10 -66.17 -18.66 65.49 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 115.786 -0.643 . . . . 10.0 110.185 178.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -94.95 -50.39 5.13 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 115.716 -0.675 . . . . 10.0 109.481 178.109 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 78.8 mt -46.65 -43.82 17.89 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.523 -0.762 . . . . 10.0 112.305 -179.482 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -55.39 -72.04 0.63 Allowed Glycine 0 CA--C 1.519 0.302 0 C-N-CA 121.203 -0.522 . . . . 10.0 112.273 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 421' ' ' PRO . . . . . 0.538 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 52.8 Cg_exo -57.58 -39.07 91.22 Favored 'Trans proline' 0 CA--C 1.533 0.455 0 C-N-CA 122.783 2.322 . . . . 10.0 112.294 178.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 8.7 t -57.55 -50.44 77.21 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.32 0 N-CA-C 112.177 0.436 . . . . 10.0 112.177 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 8.1 p -63.74 -35.36 80.31 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.796 -0.361 . . . . 10.0 111.382 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -60.77 -54.04 50.0 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.88 -0.415 . . . . 10.0 109.88 179.114 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 425' ' ' GLU . . . . . 0.538 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 10.9 pt-20 -73.24 -28.78 62.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.046 -0.525 . . . . 10.0 111.586 -179.444 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 426' ' ' PHE . . . . . 0.411 ' O ' ' HG ' ' D' ' 430' ' ' LEU . 31.4 t80 -66.66 -43.91 83.28 Favored 'General case' 0 CA--C 1.519 -0.228 0 N-CA-C 109.375 -0.602 . . . . 10.0 109.375 178.811 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 427' ' ' TRP . . . . . 0.531 ' O ' ' HG3' ' D' ' 431' ' ' GLU . 23.2 m0 -65.4 -38.67 90.67 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 108.899 -0.778 . . . . 10.0 108.899 177.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -65.61 -35.38 80.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.453 -0.794 . . . . 10.0 109.597 178.724 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 24.0 t30 -70.92 -41.91 70.59 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 108.647 -0.872 . . . . 10.0 108.647 178.016 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 430' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' D' ' 426' ' ' PHE . 61.6 mt -59.17 -35.69 74.0 Favored 'General case' 0 C--O 1.218 -0.569 0 CA-C-N 115.073 -0.967 . . . . 10.0 110.593 179.638 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 431' ' ' GLU . . . . . 0.531 ' HG3' ' O ' ' D' ' 427' ' ' TRP . 46.5 mt-10 -62.89 -38.49 91.11 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.325 0.583 . . . . 10.0 109.978 178.563 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 49.2 mttp -68.26 -34.57 76.44 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.718 -0.674 . . . . 10.0 109.761 179.344 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -78.91 -44.36 22.83 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.762 -0.653 . . . . 10.0 111.637 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 20.5 p -62.83 -57.2 11.7 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 121.187 -0.205 . . . . 10.0 110.487 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 435' ' ' GLU . . . . . 0.546 ' O ' ' HG3' ' D' ' 439' ' ' GLN . 39.0 mm-40 -67.01 -37.23 83.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.32 -0.4 . . . . 10.0 111.242 179.666 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -61.96 -51.71 55.2 Favored Glycine 0 N--CA 1.451 -0.345 0 N-CA-C 111.101 -0.8 . . . . 10.0 111.101 179.169 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 92.8 mt -64.87 -24.76 67.63 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 110.143 -0.317 . . . . 10.0 110.143 178.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 68.3 mtt180 -72.4 -28.88 63.26 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 110.374 -0.232 . . . . 10.0 110.374 178.702 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 439' ' ' GLN . . . . . 0.546 ' HG3' ' O ' ' D' ' 435' ' ' GLU . 78.7 mt-30 -68.54 -29.77 68.41 Favored 'General case' 0 CA--C 1.519 -0.224 0 N-CA-C 108.399 -0.963 . . . . 10.0 108.399 178.071 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 440' ' ' GLU . . . . . 0.559 ' OE1' ' HD2' ' A' ' 334' ' ' ARG . 34.6 mt-10 -83.01 -46.98 12.21 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 114.563 -1.199 . . . . 10.0 109.253 178.493 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.17 -43.7 87.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.115 -0.948 . . . . 10.0 112.667 -179.174 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 3.6 p -57.61 -49.0 77.86 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.974 0.416 . . . . 10.0 110.931 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -68.25 -41.05 81.73 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.913 179.193 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 444' ' ' ASP . . . . . 0.671 ' O ' ' HB ' ' D' ' 448' ' ' VAL . 28.0 t0 -59.85 -47.02 87.43 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.743 -0.466 . . . . 10.0 109.743 179.374 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 445' ' ' LEU . . . . . 0.439 ' O ' HG12 ' D' ' 448' ' ' VAL . 92.0 mt -67.77 -50.55 56.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.131 -0.486 . . . . 10.0 111.821 179.649 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -58.06 -46.81 84.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.717 0.294 . . . . 10.0 111.348 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 447' ' ' GLU . . . . . 0.651 ' HB3' HH21 ' A' ' 330' ' ' ARG . 15.8 tt0 -72.28 -31.99 66.22 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.488 -0.324 . . . . 10.0 110.969 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 448' ' ' VAL . . . . . 0.671 ' HB ' ' O ' ' D' ' 444' ' ' ASP . 0.3 OUTLIER -65.82 -30.53 50.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 C-N-CA 120.58 -0.448 . . . . 10.0 109.837 179.223 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' D' D ' 449' ' ' LYS . . . . . 0.494 ' O ' ' HG3' ' D' ' 453' ' ' GLN . 94.9 mttt -63.66 -39.11 93.52 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 108.835 -0.802 . . . . 10.0 108.835 178.151 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -88.94 9.5 24.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.68 -0.691 . . . . 10.0 110.734 179.44 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 451' ' ' LYS . . . . . 0.65 ' O ' ' HB2' ' D' ' 455' ' ' TYR . 54.6 mttm -115.83 -39.94 3.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 10.0 111.03 179.298 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 77.6 t -69.4 -39.26 78.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.557 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 453' ' ' GLN . . . . . 0.494 ' HG3' ' O ' ' D' ' 449' ' ' LYS . 69.4 mt-30 -58.68 -57.91 23.19 Favored Pre-proline 0 CA--C 1.534 0.362 0 N-CA-C 112.037 0.384 . . . . 10.0 112.037 179.533 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -63.99 -28.13 66.31 Favored 'Trans proline' 0 C--N 1.356 0.96 0 C-N-CA 121.757 1.638 . . . . 10.0 110.981 178.605 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 455' ' ' TYR . . . . . 0.65 ' HB2' ' O ' ' D' ' 451' ' ' LYS . 0.3 OUTLIER -66.58 -43.93 83.61 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 108.3 -1.0 . . . . 10.0 108.3 178.543 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 71.0 mt -67.5 -42.32 83.06 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-N 115.784 -0.644 . . . . 10.0 109.316 178.494 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -59.59 -52.88 63.65 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.835 179.337 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -62.56 -41.15 98.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.714 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 459' ' ' PHE . . . . . 0.47 ' HD2' ' HA ' ' D' ' 459' ' ' PHE . 0.8 OUTLIER -65.98 -44.74 84.02 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.111 179.157 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -59.41 -41.14 88.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.465 -0.334 . . . . 10.0 110.491 179.028 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 461' ' ' LYS . . . . . 0.551 ' O ' ' HG3' ' D' ' 465' ' ' GLU . 69.4 mttt -62.1 -41.09 97.85 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.54 -0.541 . . . . 10.0 109.54 178.455 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 462' ' ' LYS . . . . . 0.42 ' HG2' ' CE1' ' A' ' 312' ' ' HIS . 1.3 mtmm -69.24 -41.61 76.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.472 -0.785 . . . . 10.0 110.372 178.758 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 33.1 m0 -65.03 -37.47 87.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.042 0.448 . . . . 10.0 109.835 178.726 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -62.05 -44.45 96.66 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.689 -0.856 . . . . 10.0 108.689 178.06 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 465' ' ' GLU . . . . . 0.629 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 48.4 mt-10 -57.84 -54.55 45.66 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 108.899 -0.778 . . . . 10.0 108.899 178.524 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -55.2 -49.58 71.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.792 -0.64 . . . . 10.0 111.584 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 71.7 mtm -62.67 -46.06 89.94 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 111.908 0.336 . . . . 10.0 111.908 -179.475 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -66.12 -33.66 76.28 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.855 0.359 . . . . 10.0 110.362 179.282 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 469' ' ' LEU . . . . . 0.69 HD11 ' HG3' ' A' ' 308' ' ' ARG . 31.5 mt -70.83 -38.39 73.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 10.0 109.806 178.701 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 7.1 m-30 -61.04 -36.89 80.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.227 0.536 . . . . 10.0 109.656 178.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 471' ' ' ARG . . . . . 0.722 ' HA ' ' HG3' ' D' ' 475' ' ' GLU . 65.1 mtt180 -76.52 -4.19 41.42 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.713 -0.676 . . . . 10.0 111.018 179.291 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -118.21 -3.77 11.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.975 0.417 . . . . 10.0 110.49 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 473' ' ' LYS . . . . . 0.664 ' HG2' HD13 ' A' ' 301' ' ' LEU . 44.3 mttp -127.42 -65.35 0.94 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.554 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 26.2 t -61.16 -41.16 88.37 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.31 0 CA-C-N 116.378 -0.374 . . . . 10.0 111.738 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 475' ' ' GLU . . . . . 0.722 ' HG3' ' HA ' ' D' ' 471' ' ' ARG . 7.5 mm-40 -62.11 -56.31 32.56 Favored Pre-proline 0 CA--C 1.535 0.385 0 N-CA-C 111.502 0.186 . . . . 10.0 111.502 179.118 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 476' ' ' PRO . . . . . 0.711 ' HD3' ' HB2' ' D' ' 475' ' ' GLU . 54.4 Cg_exo -59.52 -38.91 80.02 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 121.745 1.63 . . . . 10.0 110.514 177.346 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 38.2 mt -65.69 -27.18 68.16 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.167 178.73 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 478' ' ' ARG . . . . . 0.637 ' O ' ' HB2' ' D' ' 482' ' ' GLN . 16.4 mtt-85 -62.91 -36.88 84.84 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 108.435 -0.95 . . . . 10.0 108.435 178.053 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -76.32 -41.94 46.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.36 -0.836 . . . . 10.0 109.823 178.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.35 -44.04 97.86 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.347 0.594 . . . . 10.0 109.701 178.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 93.2 mt -74.39 -28.27 61.02 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.815 -0.629 . . . . 10.0 110.476 179.301 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 482' ' ' GLN . . . . . 0.637 ' HB2' ' O ' ' D' ' 478' ' ' ARG . 5.9 tt0 -68.94 -49.23 59.83 Favored 'General case' 0 CA--C 1.521 -0.162 0 N-CA-C 109.475 -0.565 . . . . 10.0 109.475 179.185 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.83 -41.03 96.06 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 109.401 -0.592 . . . . 10.0 109.401 178.852 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -63.77 -40.16 98.19 Favored Glycine 0 N--CA 1.449 -0.481 0 N-CA-C 111.007 -0.837 . . . . 10.0 111.007 178.499 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -68.9 -36.39 77.99 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 110.054 -0.35 . . . . 10.0 110.054 179.39 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 77.4 mtt180 -65.29 -45.97 82.27 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.12 -0.696 . . . . 10.0 109.12 178.476 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 487' ' ' GLN . . . . . 0.471 ' O ' ' HG3' ' D' ' 491' ' ' GLU . 4.7 mm-40 -64.41 -38.43 91.01 Favored 'General case' 0 C--O 1.224 -0.238 0 N-CA-C 108.805 -0.813 . . . . 10.0 108.805 178.029 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 54.2 tttt -63.35 -42.02 98.89 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.734 -0.666 . . . . 10.0 109.632 178.564 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 36.1 mt -66.44 -37.06 84.33 Favored 'General case' 0 C--O 1.224 -0.276 0 N-CA-C 109.238 -0.652 . . . . 10.0 109.238 178.448 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 -65.73 -42.68 90.75 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 108.948 -0.76 . . . . 10.0 108.948 178.505 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 491' ' ' GLU . . . . . 0.471 ' HG3' ' O ' ' D' ' 487' ' ' GLN . 84.9 mt-10 -57.09 -47.2 81.63 Favored 'General case' 0 CA--C 1.521 -0.173 0 N-CA-C 108.365 -0.976 . . . . 10.0 108.365 177.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 492' ' ' LEU . . . . . 0.418 ' O ' ' HG ' ' D' ' 496' ' ' LEU . 59.6 mt -64.15 -43.53 94.92 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 115.392 -0.822 . . . . 10.0 110.556 179.285 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -55.71 -37.51 68.48 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.968 0.413 . . . . 10.0 110.831 179.311 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -72.02 0.97 8.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.96 -0.564 . . . . 10.0 111.546 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 495' ' ' LYS . . . . . 0.848 ' HE3' HD22 ' A' ' 279' ' ' LEU . 9.8 mttp -125.66 -28.24 3.29 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.717 178.828 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 496' ' ' LEU . . . . . 0.519 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 73.9 mt -64.14 -37.9 89.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.008 -0.542 . . . . 10.0 111.357 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 497' ' ' SER . . . . . 0.76 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 1.8 m -81.9 -60.61 0.39 Allowed Pre-proline 0 C--N 1.32 -0.703 0 C-N-CA 120.731 -0.387 . . . . 10.0 111.065 178.646 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 498' ' ' PRO . . . . . 0.76 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 44.3 Cg_exo -59.37 -65.4 0.08 OUTLIER 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 122.305 2.004 . . . . 10.0 112.696 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 499' ' ' LEU . . . . . 0.425 ' HB2' ' O ' ' D' ' 495' ' ' LYS . 12.4 mt -66.61 -36.09 81.76 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.651 -0.249 . . . . 10.0 111.19 -179.417 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 500' ' ' GLY . . . . . 0.519 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -58.66 -53.71 43.87 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.84 -0.695 . . . . 10.0 111.785 179.389 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -69.25 -27.49 65.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.823 0.344 . . . . 10.0 110.545 179.261 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 502' ' ' GLU . . . . . 0.481 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 33.4 tt0 -67.64 -42.44 82.26 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 108.678 -0.86 . . . . 10.0 108.678 177.838 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 87.9 mmm -63.26 -37.2 86.31 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 109.29 -0.633 . . . . 10.0 109.29 178.533 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 504' ' ' ARG . . . . . 0.487 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 91.5 mtt180 -63.82 -41.44 97.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.791 -0.64 . . . . 10.0 109.541 178.311 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -63.86 -41.15 97.84 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.505 -0.554 . . . . 10.0 109.505 178.621 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 506' ' ' ARG . . . . . 0.481 ' HG3' ' O ' ' D' ' 502' ' ' GLU . 60.5 mtt180 -61.4 -42.64 99.05 Favored 'General case' 0 CA--C 1.52 -0.202 0 N-CA-C 108.303 -0.999 . . . . 10.0 108.303 177.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -59.82 -41.52 91.48 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.711 -0.677 . . . . 10.0 109.594 178.702 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 508' ' ' ARG . . . . . 0.487 ' HG3' ' O ' ' D' ' 504' ' ' ARG . 75.9 mtt180 -60.6 -44.86 95.79 Favored 'General case' 0 C--O 1.223 -0.313 0 N-CA-C 109.154 -0.684 . . . . 10.0 109.154 178.259 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 509' ' ' ALA . . . . . 0.763 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -63.29 -34.9 78.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.849 -0.614 . . . . 10.0 110.678 179.492 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 510' ' ' HIS . . . . . 0.517 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 29.5 m-70 -73.94 -49.88 22.61 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.706 179.208 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 511' ' ' VAL . . . . . 0.479 ' O ' ' HG3' ' D' ' 515' ' ' ARG . 91.6 t -63.24 -41.43 92.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.363 -0.38 . . . . 10.0 110.001 179.628 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 512' ' ' ASP . . . . . 0.403 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 34.6 t70 -61.62 -39.18 90.33 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 109.344 -0.613 . . . . 10.0 109.344 178.835 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -62.75 -46.78 86.46 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 108.604 -0.888 . . . . 10.0 108.604 178.526 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 514' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' D' ' 510' ' ' HIS . 89.1 mt -60.22 -27.27 67.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.613 -0.721 . . . . 10.0 110.994 179.511 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 515' ' ' ARG . . . . . 0.479 ' HG3' ' O ' ' D' ' 511' ' ' VAL . 74.6 mtt180 -68.06 -21.43 65.0 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.128 0.49 . . . . 10.0 110.534 178.844 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 4.4 m -111.22 -15.3 13.68 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.679 179.42 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -96.23 -39.62 9.58 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.026 -0.534 . . . . 10.0 111.221 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 88.6 mt -94.85 -54.98 3.26 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.508 0.558 . . . . 10.0 112.508 -178.483 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 519' ' ' ALA . . . . . 0.65 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -47.96 -59.78 5.29 Favored Pre-proline 0 N--CA 1.47 0.532 0 N-CA-C 114.02 1.118 . . . . 10.0 114.02 -178.556 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 520' ' ' PRO . . . . . 0.65 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 34.9 Cg_exo -63.54 -35.26 60.76 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 121.863 1.709 . . . . 10.0 111.478 179.423 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 521' ' ' TYR . . . . . 0.408 ' HA ' ' OE1' ' D' ' 524' ' ' GLU . 17.6 t80 -66.41 -38.16 86.83 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.498 -0.319 . . . . 10.0 110.265 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 20.7 m -62.01 -34.27 75.89 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.375 -0.602 . . . . 10.0 109.375 178.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.91 -41.23 87.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.788 -0.642 . . . . 10.0 109.64 179.002 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 524' ' ' GLU . . . . . 0.466 ' HG3' ' O ' ' D' ' 520' ' ' PRO . 31.2 mt-10 -68.83 -37.23 79.03 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.465 -0.788 . . . . 10.0 109.372 178.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 20.1 mt -63.6 -35.94 82.16 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.692 -0.685 . . . . 10.0 109.468 178.16 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 526' ' ' ARG . . . . . . . . . . . . . 76.7 mtt180 -62.69 -38.88 92.12 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-N 115.916 -0.584 . . . . 10.0 109.701 178.472 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -67.79 -42.92 80.89 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-N 116.114 -0.493 . . . . 10.0 109.699 179.27 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 528' ' ' ARG . . . . . 0.673 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 91.8 mtt180 -65.09 -44.46 88.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.635 -0.711 . . . . 10.0 109.279 179.016 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 529' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' D' ' 529' ' ' LEU . 17.9 mt -65.83 -31.14 71.94 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.504 178.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -64.56 -46.89 80.85 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.112 -0.699 . . . . 10.0 109.112 178.763 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -67.77 -40.85 83.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.794 -0.639 . . . . 10.0 109.575 178.718 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 532' ' ' ARG . . . . . 0.585 ' O ' ' HG ' ' D' ' 536' ' ' LEU . 22.3 ttm180 -60.67 -48.66 80.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.352 -0.84 . . . . 10.0 109.791 179.032 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 27.9 mt -65.8 -34.57 78.47 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.462 179.304 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -61.4 -46.09 91.58 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 108.853 -0.795 . . . . 10.0 108.853 178.698 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 535' ' ' ALA . . . . . 0.454 ' O ' ' HB2' ' D' ' 539' ' ' ASN . . . -65.4 -42.07 92.97 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.766 -0.652 . . . . 10.0 109.837 178.769 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 536' ' ' LEU . . . . . 0.585 ' HG ' ' O ' ' D' ' 532' ' ' ARG . 90.8 mt -65.63 -27.4 68.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.966 -0.561 . . . . 10.0 111.01 179.477 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -79.91 -45.91 17.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.44 -0.345 . . . . 10.0 110.141 178.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -63.13 -44.74 94.75 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.441 -0.577 . . . . 10.0 109.441 179.055 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 539' ' ' ASN . . . . . 0.505 ' ND2' ' HG3' ' A' ' 235' ' ' GLU . 1.8 m-20 -71.53 -31.26 66.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.352 -0.84 . . . . 10.0 109.2 178.304 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -65.2 -50.7 55.42 Favored Glycine 0 N--CA 1.446 -0.693 0 N-CA-C 111.092 -0.803 . . . . 10.0 111.092 179.31 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -63.18 -36.58 93.63 Favored Glycine 0 N--CA 1.445 -0.708 0 N-CA-C 110.98 -0.848 . . . . 10.0 110.98 178.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -65.03 -48.86 72.37 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 109.183 -0.673 . . . . 10.0 109.183 178.287 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 50.1 mtt85 -63.42 -37.97 89.34 Favored 'General case' 0 C--O 1.218 -0.585 0 CA-C-N 115.859 -0.61 . . . . 10.0 110.864 179.299 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 33.1 mt -59.49 -41.33 89.59 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 109.394 -0.595 . . . . 10.0 109.394 178.482 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -67.33 -41.12 85.77 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.172 -0.922 . . . . 10.0 109.218 178.76 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 546' ' ' GLU . . . . . 0.423 ' O ' ' HD2' ' D' ' 550' ' ' LYS . 28.7 mt-10 -64.49 -45.47 87.16 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 115.943 -0.571 . . . . 10.0 109.943 178.826 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -59.43 -44.65 92.87 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 115.934 -0.575 . . . . 10.0 109.618 178.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.73 -41.25 96.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.57 179.646 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 549' ' ' ALA . . . . . 0.43 ' O ' ' HG3' ' D' ' 553' ' ' GLU . . . -64.64 -51.1 64.35 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.624 -0.51 . . . . 10.0 109.624 178.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 550' ' ' LYS . . . . . 0.423 ' HD2' ' O ' ' D' ' 546' ' ' GLU . 0.1 OUTLIER -63.89 -31.4 72.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.854 179.698 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -66.25 -44.55 83.36 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.059 -0.719 . . . . 10.0 109.059 178.455 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 10.1 m -64.51 -43.42 94.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.857 -0.61 . . . . 10.0 109.575 178.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 553' ' ' GLU . . . . . 0.43 ' HG3' ' O ' ' D' ' 549' ' ' ALA . 47.1 mt-10 -62.74 -49.26 75.74 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.094 179.185 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 17.4 t60 -61.46 -39.47 90.99 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.119 179.289 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 61.4 tp -62.46 -36.9 83.92 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.664 -0.495 . . . . 10.0 109.664 178.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 35.3 m -66.38 -46.09 77.85 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.609 -0.723 . . . . 10.0 109.754 178.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 2.5 p -70.76 -25.51 62.94 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.017 0.437 . . . . 10.0 110.619 179.098 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 4.2 mt -67.27 -55.44 13.92 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 115.804 -0.635 . . . . 10.0 109.898 179.166 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 2.5 p -66.04 -35.99 82.04 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.255 -0.43 . . . . 10.0 110.626 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.41 -26.35 68.44 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.889 179.334 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 561' ' ' LYS . . . . . 0.769 ' HA ' ' HE3' ' D' ' 561' ' ' LYS . 0.1 OUTLIER -98.71 -42.87 7.03 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.213 -0.448 . . . . 10.0 111.253 179.704 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -56.91 -45.32 82.74 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.912 -0.586 . . . . 10.0 112.299 -179.472 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -53.3 -64.29 1.8 Allowed Pre-proline 0 CA--C 1.539 0.526 0 N-CA-C 112.908 0.707 . . . . 10.0 112.908 -179.657 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -64.14 -38.57 35.64 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 121.66 1.573 . . . . 10.0 112.145 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -61.92 -53.09 60.58 Favored 'General case' 0 CA--C 1.522 -0.121 0 CA-C-O 120.64 0.257 . . . . 10.0 111.5 -179.534 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 77.4 mt -63.25 -42.21 99.16 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.564 -0.289 . . . . 10.0 111.22 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -61.82 -47.9 83.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.502 -0.317 . . . . 10.0 110.243 178.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -65.32 -38.54 90.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.093 0.473 . . . . 10.0 110.236 179.661 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 18.8 mt -59.57 -48.78 80.31 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-N 115.71 -0.677 . . . . 10.0 110.059 178.544 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 56.6 mtt180 -64.08 -37.9 89.11 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.015 0.436 . . . . 10.0 109.966 179.178 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -66.54 -14.08 61.84 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.598 -0.728 . . . . 10.0 110.491 178.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 572' ' ' GLY . . . . . 0.529 ' O ' ' HB ' ' D' ' 576' ' ' VAL . . . -105.83 -31.97 4.01 Favored Glycine 0 N--CA 1.444 -0.827 0 N-CA-C 110.696 -0.961 . . . . 10.0 110.696 178.577 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 65.6 mt -64.06 -45.23 89.71 Favored 'General case' 0 C--O 1.225 -0.214 0 C-N-CA 122.571 0.348 . . . . 10.0 111.562 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 46.1 mt -56.54 -59.77 11.21 Favored Pre-proline 0 CA--C 1.536 0.437 0 N-CA-C 112.044 0.386 . . . . 10.0 112.044 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -63.39 -34.52 65.84 Favored 'Trans proline' 0 C--N 1.356 0.956 0 C-N-CA 121.751 1.634 . . . . 10.0 112.045 178.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 576' ' ' VAL . . . . . 0.529 ' HB ' ' O ' ' D' ' 572' ' ' GLY . 0.3 OUTLIER -66.58 -36.89 78.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.707 0.289 . . . . 10.0 110.491 179.463 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 52.0 mt -66.85 -40.08 87.79 Favored 'General case' 0 CA--C 1.521 -0.146 0 N-CA-C 109.444 -0.576 . . . . 10.0 109.444 178.615 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -65.64 -37.74 87.41 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.935 -0.575 . . . . 10.0 109.811 178.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 46.6 m -68.81 -39.73 79.91 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.756 -0.656 . . . . 10.0 109.52 178.493 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -64.89 -40.71 95.53 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.145 178.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -56.68 -45.34 81.8 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.513 179.452 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 90.8 t -60.51 -49.7 83.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.362 -0.381 . . . . 10.0 111.119 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 1.3 p -66.32 -42.22 88.54 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.637 -0.256 . . . . 10.0 111.624 -179.505 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -65.29 -46.5 80.18 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.871 0.323 . . . . 10.0 111.871 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 67.2 mt -62.8 -42.79 99.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.585 -0.28 . . . . 10.0 110.508 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 16.2 m -67.25 -30.86 70.87 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.179 0.514 . . . . 10.0 110.196 179.138 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 587' ' ' ALA . . . . . 0.559 ' HB2' ' HG2' ' A' ' 396' ' ' LYS . . . -72.27 -57.31 4.32 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.468 179.491 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 87.9 mt -59.42 -41.38 89.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.124 -0.489 . . . . 10.0 111.905 -179.239 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -60.84 -47.96 83.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.91 0.385 . . . . 10.0 110.303 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -68.95 -32.36 71.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.374 -0.376 . . . . 10.0 110.731 179.188 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -62.95 -36.99 85.3 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.704 -0.48 . . . . 10.0 109.704 178.347 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 592' ' ' THR . . . . . 0.443 ' O ' ' HB2' ' D' ' 596' ' ' ASN . 7.0 m -66.07 -24.65 66.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.978 -0.556 . . . . 10.0 110.823 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -81.66 -40.37 22.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.164 179.615 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 594' ' ' LYS . . . . . 0.595 ' HE2' ' HB2' ' A' ' 388' ' ' SER . 10.8 mptt -73.21 -40.16 64.95 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.646 -0.706 . . . . 10.0 110.755 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 57.9 mt -93.37 36.93 1.05 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.264 -0.426 . . . . 10.0 110.561 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 596' ' ' ASN . . . . . 0.443 ' HB2' ' O ' ' D' ' 592' ' ' THR . 3.1 t-20 . . . . . 0 C--N 1.323 -0.569 0 CA-C-N 116.397 -0.365 . . . . 10.0 111.331 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 1' ' ' SER . . . . . 0.401 ' HA ' ' O ' ' B' ' 50' ' ' THR . 0.3 OUTLIER . . . . . 0 CA--C 1.535 0.372 0 CA-C-O 120.925 0.393 . . . . 10.0 111.299 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 2' ' ' THR . . . . . 0.403 ' HB ' ' CE2' ' B' ' 4' ' ' TYR . 2.1 m -77.43 142.48 39.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.857 -179.493 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -93.23 139.05 31.04 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.321 -0.399 . . . . 10.0 109.983 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 4' ' ' TYR . . . . . 0.403 ' CE2' ' HB ' ' B' ' 2' ' ' THR . 96.9 m-85 -130.7 111.03 11.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.76 0.314 . . . . 10.0 111.332 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.753 ' HA ' ' HB3' ' B' ' 54' ' ' ASP . 60.6 mttm -79.79 110.64 15.33 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.478 -179.743 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.403 ' O ' ' HA ' ' B' ' 55' ' ' ILE . 0.4 OUTLIER -112.65 116.4 30.09 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.867 -178.724 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 7' ' ' VAL . . . . . 0.59 HG11 ' CD2' ' B' ' 71' ' ' TYR . 22.8 t -102.36 129.79 53.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.486 -0.325 . . . . 10.0 110.204 179.563 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.628 HG12 ' HD2' ' B' ' 16' ' ' LYS . 14.9 t -92.77 116.48 34.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 120.927 0.394 . . . . 10.0 111.248 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 11.3 m -111.97 149.95 14.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.878 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 150.14 163.33 11.09 Favored Glycine 0 N--CA 1.444 -0.827 0 N-CA-C 110.757 -0.937 . . . . 10.0 110.757 -179.615 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.14 155.97 39.48 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.914 0.387 . . . . 10.0 111.178 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.1 135.06 41.19 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.084 0.468 . . . . 10.0 110.619 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 114.73 -20.27 15.27 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.522 -0.847 . . . . 10.0 111.791 -179.36 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 10.7 m -73.3 -16.21 17.4 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 CA-C-O 120.803 0.335 . . . . 10.0 111.665 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' GLY . . . . . 0.404 ' O ' ' HG ' ' B' ' 19' ' ' LEU . . . 91.54 42.7 4.76 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.822 -0.704 . . . . 10.0 113.561 179.205 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 16' ' ' LYS . . . . . 0.628 ' HD2' HG12 ' B' ' 8' ' ' VAL . 46.3 mtmt -66.2 -39.66 89.83 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.868 -0.419 . . . . 10.0 109.868 179.469 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 6.3 m -76.27 -34.57 59.12 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.242 -0.436 . . . . 10.0 110.906 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.49 -42.43 82.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.29 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.718 HD23 ' HB2' ' B' ' 146' ' ' ALA . 30.3 mt -64.01 -46.39 84.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.666 -0.697 . . . . 10.0 110.534 179.24 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 3.0 m -63.54 -44.15 95.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.016 -0.538 . . . . 10.0 111.469 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 97.8 mt -62.62 -37.07 78.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.965 0.412 . . . . 10.0 110.566 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 22' ' ' GLN . . . . . 0.614 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 1.5 mm-40 -68.02 -26.0 65.67 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.251 0.548 . . . . 10.0 110.481 178.786 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 36.5 tp -88.63 -38.93 14.43 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.077 -0.511 . . . . 10.0 111.474 -179.627 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.403 HD11 HD12 ' B' ' 55' ' ' ILE . 46.2 mm -84.23 -61.1 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 112.137 0.421 . . . . 10.0 112.137 -178.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -82.41 -14.56 54.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.72 0.295 . . . . 10.0 111.697 -179.074 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 26' ' ' ASN . . . . . 0.614 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 32.4 m-80 70.91 30.1 2.9 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 113.355 0.872 . . . . 10.0 113.355 178.397 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 35.4 p80 -149.76 160.92 43.16 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.878 0.371 . . . . 10.0 111.803 178.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -97.26 142.97 28.5 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.833 -0.621 . . . . 10.0 110.673 -179.598 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 12.8 m -114.24 137.09 48.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 120.866 0.365 . . . . 10.0 110.914 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -90.26 -26.63 19.95 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.004 -0.543 . . . . 10.0 109.835 179.276 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -75.46 118.14 18.01 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.614 -0.721 . . . . 10.0 111.496 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -73.89 134.23 43.22 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.817 -0.438 . . . . 10.0 109.817 179.273 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 33' ' ' ASP . . . . . 0.454 ' HA ' ' HD3' ' B' ' 34' ' ' PRO . 34.8 t70 -127.42 120.92 22.24 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-O 120.928 0.394 . . . . 10.0 111.132 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 34' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' B' ' 33' ' ' ASP . 2.9 Cg_exo -76.83 72.35 5.78 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 123.105 2.537 . . . . 10.0 112.156 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.21 128.88 38.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.112 -0.495 . . . . 10.0 111.577 179.774 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.84 ' HA ' ' HB2' ' B' ' 59' ' ' ALA . 50.4 mm -91.35 -44.59 14.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.586 -0.524 . . . . 10.0 109.586 179.305 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 37' ' ' GLU . . . . . 0.463 ' HA ' ' O ' ' B' ' 57' ' ' ASP . 38.8 tt0 -168.21 107.38 0.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.751 -0.659 . . . . 10.0 110.666 179.748 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -133.95 137.36 44.81 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.305 -0.407 . . . . 10.0 110.186 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 8.5 p -110.83 143.53 41.25 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.194 0.521 . . . . 10.0 111.421 -179.598 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -135.97 141.54 44.44 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.457 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -113.38 140.45 48.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.816 0.341 . . . . 10.0 111.331 -179.729 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 42' ' ' LYS . . . . . 0.497 ' HB3' HD12 ' B' ' 53' ' ' LEU . 53.8 tttp -147.14 134.66 20.89 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.325 179.333 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -112.5 111.91 23.08 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.869 -0.419 . . . . 10.0 109.869 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 2.9 m -132.65 161.09 42.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.123 -0.489 . . . . 10.0 111.166 -179.193 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 27.9 t -96.36 103.87 15.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.036 179.417 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 39.8 mt -112.15 121.15 64.02 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 N-CA-C 109.469 -0.567 . . . . 10.0 109.469 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 47' ' ' ASP . . . . . 0.546 ' HA ' ' HB3' ' C' ' 128' ' ' LYS . 33.0 m-20 62.11 16.52 8.33 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.184 0.516 . . . . 10.0 111.794 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 100.39 -6.96 57.95 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.912 -0.661 . . . . 10.0 112.265 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -102.84 130.7 49.94 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.79 0.329 . . . . 10.0 110.46 -179.62 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 50' ' ' THR . . . . . 0.401 ' O ' ' HA ' ' B' ' 1' ' ' SER . 0.2 OUTLIER -83.46 68.98 9.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.445 179.33 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 4.3 m -69.49 149.87 47.81 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.706 -0.679 . . . . 10.0 112.552 -178.739 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 45.0 tp -105.1 114.08 28.05 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.416 -0.811 . . . . 10.0 109.033 178.654 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 53' ' ' LEU . . . . . 0.497 HD12 ' HB3' ' B' ' 42' ' ' LYS . 25.6 mt -83.2 126.92 33.15 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.113 -0.494 . . . . 10.0 111.691 -178.574 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 54' ' ' ASP . . . . . 0.753 ' HB3' ' HA ' ' B' ' 5' ' ' LYS . 6.7 t70 -113.64 79.4 1.24 Allowed 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 107.98 -1.118 . . . . 10.0 107.98 178.629 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 55' ' ' ILE . . . . . 0.403 ' HA ' ' O ' ' B' ' 6' ' ' LEU . 3.8 mt -80.99 148.24 5.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.919 -0.582 . . . . 10.0 111.949 -177.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 18.4 tp -145.57 118.27 8.64 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.899 -0.591 . . . . 10.0 110.927 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 57' ' ' ASP . . . . . 0.463 ' O ' ' HA ' ' B' ' 37' ' ' GLU . 32.9 t70 -91.69 125.46 36.42 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 109.335 -0.617 . . . . 10.0 109.335 178.77 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 26.0 p -108.09 151.88 25.28 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.476 -0.329 . . . . 10.0 111.199 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 59' ' ' ALA . . . . . 0.84 ' HB2' ' HA ' ' B' ' 36' ' ' ILE . . . -71.27 110.35 5.86 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.536 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -91.69 44.93 2.72 Favored Glycine 0 N--CA 1.453 -0.211 0 N-CA-C 111.597 -0.601 . . . . 10.0 111.597 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -106.0 28.21 7.83 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.431 -0.385 . . . . 10.0 110.371 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.428 ' HG3' ' H ' ' B' ' 63' ' ' GLU . 2.8 tp10 66.61 -175.06 0.19 Allowed 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.761 -0.654 . . . . 10.0 111.29 -179.299 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 63' ' ' GLU . . . . . 0.428 ' H ' ' HG3' ' B' ' 62' ' ' GLU . 1.8 tm-20 60.84 -149.13 0.42 Allowed 'General case' 0 C--O 1.234 0.284 0 N-CA-C 109.344 -0.613 . . . . 10.0 109.344 -178.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 53.28 40.89 31.98 Favored 'General case' 0 C--O 1.234 0.273 0 O-C-N 123.112 0.258 . . . . 10.0 111.496 179.633 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.6 -43.1 79.8 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 115.948 -0.569 . . . . 10.0 111.564 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.77 -39.84 63.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.807 0.337 . . . . 10.0 110.526 179.631 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -46.01 92.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.121 -0.491 . . . . 10.0 110.8 179.749 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 68' ' ' ARG . . . . . 0.775 ' HA ' ' CE1' ' B' ' 71' ' ' TYR . 12.5 mtp180 -62.65 -41.73 99.21 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 115.6 -0.727 . . . . 10.0 111.057 179.72 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.9 -13.26 59.33 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.9 -0.591 . . . . 10.0 112.218 -179.591 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -93.28 -60.39 1.8 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 111.853 0.316 . . . . 10.0 111.853 -179.539 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 71' ' ' TYR . . . . . 0.775 ' CE1' ' HA ' ' B' ' 68' ' ' ARG . 5.5 p90 -60.29 -25.84 66.04 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 113.328 0.862 . . . . 10.0 113.328 -178.06 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 72' ' ' MET . . . . . 0.491 ' HA ' ' HZ ' ' B' ' 78' ' ' PHE . 43.7 mtt -68.87 -28.96 67.17 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.036 0.446 . . . . 10.0 111.659 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 73' ' ' ARG . . . . . 0.538 ' HG3' HG12 ' B' ' 103' ' ' VAL . 14.7 mtm180 -76.78 -32.01 57.41 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 116.514 -0.312 . . . . 10.0 110.993 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.07 -29.68 26.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.956 0.407 . . . . 10.0 110.877 179.595 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.29 128.18 35.9 Favored Glycine 0 C--N 1.334 0.422 0 CA-C-N 115.791 -0.641 . . . . 10.0 112.858 -179.353 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -95.71 -29.23 14.39 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.569 -0.53 . . . . 10.0 109.569 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 77' ' ' GLY . . . . . 0.442 ' HA3' HD11 ' B' ' 163' ' ' ILE . . . -135.69 142.02 13.27 Favored Glycine 0 N--CA 1.448 -0.534 0 N-CA-C 110.216 -1.154 . . . . 10.0 110.216 178.739 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 78' ' ' PHE . . . . . 0.576 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 93.3 m-85 -122.54 132.15 54.18 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 117.535 0.668 . . . . 10.0 112.096 -179.161 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 19.0 tp -99.46 94.07 6.22 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.309 -0.86 . . . . 10.0 109.732 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 3.0 m -79.11 101.81 8.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.933 -0.576 . . . . 10.0 109.721 179.284 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 44.0 t -113.96 134.17 57.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.914 -0.585 . . . . 10.0 111.541 -179.295 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 82' ' ' PHE . . . . . 0.607 ' HE2' ' HE1' ' B' ' 141' ' ' PHE . 25.7 p90 -134.66 167.65 20.43 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 115.487 -0.778 . . . . 10.0 109.318 178.635 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.607 ' HB3' ' HB3' ' B' ' 86' ' ' ASN . . . -105.93 128.41 53.78 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.313 -0.403 . . . . 10.0 109.96 179.526 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 84' ' ' ILE . . . . . 0.475 ' CD1' ' HA ' ' B' ' 118' ' ' CYS . 33.8 pt -68.03 -14.08 17.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.868 -179.65 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 19.8 p-10 -101.97 3.24 38.75 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.321 179.157 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.607 ' HB3' ' HB3' ' B' ' 83' ' ' ALA . 27.0 t-20 -131.27 96.36 4.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.252 -0.431 . . . . 10.0 110.179 -179.731 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 87' ' ' THR . . . . . 0.438 ' O ' ' HG3' ' B' ' 91' ' ' GLU . 0.2 OUTLIER -58.5 -31.59 68.01 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.852 -0.613 . . . . 10.0 112.501 -179.233 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -57.92 -48.11 80.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 10.0 111.792 -179.529 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 89' ' ' SER . . . . . 0.441 ' O ' HG12 ' B' ' 93' ' ' ILE . 78.9 p -62.44 -33.84 75.62 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.639 0.257 . . . . 10.0 111.687 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -65.34 -39.73 92.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.152 0.501 . . . . 10.0 110.238 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 91' ' ' GLU . . . . . 0.438 ' HG3' ' O ' ' B' ' 87' ' ' THR . 37.4 mt-10 -75.72 -33.4 60.3 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.431 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.45 -22.39 66.95 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.153 179.658 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 93' ' ' ILE . . . . . 0.441 HG12 ' O ' ' B' ' 89' ' ' SER . 25.4 mm -58.03 -36.28 55.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.096 -0.502 . . . . 10.0 109.721 178.446 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 28.8 t60 -64.46 -41.03 96.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.443 -0.799 . . . . 10.0 110.208 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 64.4 m-70 -66.52 -41.03 89.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.838 -179.598 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -66.06 -46.08 79.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.016 -0.538 . . . . 10.0 111.356 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 26.6 ttt180 -56.52 -48.11 77.93 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.012 -0.54 . . . . 10.0 111.944 -179.051 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -65.68 -39.18 91.04 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.195 -0.457 . . . . 10.0 111.378 -179.51 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 99' ' ' GLN . . . . . 0.465 ' O ' HG23 ' B' ' 103' ' ' VAL . 61.7 tt0 -65.63 -49.47 68.56 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.997 -0.281 . . . . 10.0 110.883 179.518 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 96.8 mt -54.95 -47.05 76.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-O 121.098 0.475 . . . . 10.0 111.319 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 101' ' ' LYS . . . . . 0.417 ' HB2' ' HE3' ' B' ' 101' ' ' LYS . 19.1 mtmt -64.51 -37.06 86.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.772 -0.649 . . . . 10.0 111.474 -179.568 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? -71.81 -39.06 70.08 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.277 -0.42 . . . . 10.0 111.061 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 103' ' ' VAL . . . . . 0.538 HG12 ' HG3' ' B' ' 73' ' ' ARG . 69.1 t -66.92 -47.74 81.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.999 -0.546 . . . . 10.0 111.347 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -83.17 -12.53 56.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.626 -0.261 . . . . 10.0 111.523 -179.144 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 25.9 t0 57.79 57.29 4.27 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.642 0.734 . . . . 10.0 110.457 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 6.1 t -156.74 179.1 9.61 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.492 -0.776 . . . . 10.0 110.123 -179.43 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -131.26 -34.69 1.4 Allowed 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.856 0.36 . . . . 10.0 111.156 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -85.89 57.42 4.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.247 0.546 . . . . 10.0 111.55 -179.214 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 46.7 t -94.89 119.9 65.31 Favored Pre-proline 0 C--N 1.323 -0.552 0 N-CA-C 109.583 -0.525 . . . . 10.0 109.583 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 110' ' ' PRO . . . . . 0.739 ' HB3' ' HB3' ' B' ' 162' ' ' GLU . 35.9 Cg_exo -61.95 114.93 2.51 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 123.339 2.693 . . . . 10.0 112.469 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 111' ' ' MET . . . . . 0.576 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 55.4 mtm -148.34 154.7 40.33 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.983 -0.553 . . . . 10.0 109.939 -179.314 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 112' ' ' VAL . . . . . 0.534 HG13 ' HG2' ' B' ' 140' ' ' PRO . 47.8 t -133.63 139.87 47.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.714 -0.476 . . . . 10.0 109.714 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 113' ' ' LEU . . . . . 0.411 ' O ' ' HA ' ' B' ' 141' ' ' PHE . 24.8 tp -95.83 120.82 36.77 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.252 -0.647 . . . . 10.0 109.252 179.52 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 2.3 t -124.49 138.4 54.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 120.828 0.347 . . . . 10.0 111.269 -179.162 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -106.96 135.78 12.96 Favored Glycine 0 N--CA 1.449 -0.442 0 N-CA-C 110.877 -0.889 . . . . 10.0 110.877 179.059 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -111.25 161.66 15.78 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 117.185 0.493 . . . . 10.0 110.667 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 80.5 mttt 63.13 34.85 13.29 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.033 -0.53 . . . . 10.0 111.23 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 118' ' ' CYS . . . . . 0.475 ' HA ' ' CD1' ' B' ' 84' ' ' ILE . 71.2 m -74.13 0.1 14.96 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.195 -0.457 . . . . 10.0 111.524 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -95.83 -2.47 47.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.087 179.06 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 21.2 mt -80.52 131.49 61.27 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 115.838 -0.619 . . . . 10.0 110.772 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -69.69 149.28 67.11 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.369 2.046 . . . . 10.0 111.47 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 2.6 m 61.41 80.81 0.21 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.234 0.54 . . . . 10.0 111.79 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 123' ' ' ARG . . . . . 0.458 ' HD3' ' O ' ' B' ' 125' ' ' VAL . 5.0 ptp180 -88.09 153.26 21.41 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.767 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 13.1 m -95.0 -39.75 10.01 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.154 -0.476 . . . . 10.0 110.42 179.176 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 125' ' ' VAL . . . . . 0.458 ' O ' ' HD3' ' B' ' 123' ' ' ARG . 60.8 t -98.68 120.03 47.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.384 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.03 154.72 29.24 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.057 -0.52 . . . . 10.0 110.694 179.556 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -62.24 -39.8 94.06 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.165 -0.47 . . . . 10.0 112.249 -178.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 128' ' ' LYS . . . . . 0.946 ' HB3' ' HA ' ' C' ' 47' ' ' ASP . 4.0 mptt -59.18 -56.44 22.13 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.422 -179.408 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -60.09 -37.96 81.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.662 0.268 . . . . 10.0 111.656 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.59 -44.16 74.96 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.092 0.473 . . . . 10.0 110.517 179.277 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 131' ' ' GLN . . . . . 0.415 ' HG3' ' CD2' ' B' ' 141' ' ' PHE . 57.3 mt-30 -70.98 -35.52 72.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.974 -0.557 . . . . 10.0 111.456 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -62.43 -44.56 96.12 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.328 0.585 . . . . 10.0 109.708 178.627 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 13.2 tp -60.11 -49.53 77.27 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.517 -0.765 . . . . 10.0 109.66 178.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.78 -39.81 95.16 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.794 179.56 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -38.81 90.9 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.977 -0.556 . . . . 10.0 110.881 179.795 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 15.5 m -69.67 -20.36 63.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.057 -0.52 . . . . 10.0 110.786 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 21.0 m-30 -89.73 -26.03 20.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.024 179.257 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 95.14 21.47 25.13 Favored Glycine 0 N--CA 1.448 -0.554 0 CA-C-N 115.534 -0.757 . . . . 10.0 111.786 -179.601 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 44.8 pt -120.46 153.84 56.4 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-O 120.482 0.182 . . . . 10.0 110.762 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 140' ' ' PRO . . . . . 0.534 ' HG2' HG13 ' B' ' 112' ' ' VAL . 92.0 Cg_endo -80.92 159.6 21.1 Favored 'Trans proline' 0 C--O 1.234 0.301 0 C-N-CA 122.661 2.24 . . . . 10.0 112.231 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 141' ' ' PHE . . . . . 0.607 ' HE1' ' HE2' ' B' ' 82' ' ' PHE . 89.0 t80 -128.7 130.51 47.26 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.056 -0.52 . . . . 10.0 109.831 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 24.0 mt -125.94 132.93 70.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.901 0.381 . . . . 10.0 111.308 -179.454 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -91.75 120.37 32.43 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.451 -0.944 . . . . 10.0 108.451 178.031 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 32.0 p -127.93 173.51 9.95 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.604 0.716 . . . . 10.0 112.83 -177.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 7.0 t -155.53 110.79 3.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.209 -0.905 . . . . 10.0 109.15 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 146' ' ' ALA . . . . . 0.718 ' HB2' HD23 ' B' ' 19' ' ' LEU . . . -72.43 -17.66 61.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.863 0.363 . . . . 10.0 110.453 -179.732 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 55.4 tttt -60.05 -42.28 94.12 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.476 -0.783 . . . . 10.0 111.973 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.23 22.81 6.54 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.535 0.198 . . . . 10.0 111.535 -179.455 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 53.24 50.62 17.24 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.384 0.611 . . . . 10.0 111.43 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -82.17 89.45 6.5 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.42 -0.809 . . . . 10.0 111.377 -178.676 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 58.97 33.73 75.41 Favored Glycine 0 C--N 1.332 0.358 0 CA-C-N 116.117 -0.492 . . . . 10.0 114.137 178.764 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 152' ' ' VAL . . . . . 0.515 HG12 ' CE2' ' B' ' 156' ' ' PHE . 22.8 t -67.02 -42.71 88.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.109 0.48 . . . . 10.0 110.758 -179.305 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.93 -34.39 78.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.936 -0.575 . . . . 10.0 111.679 -179.468 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -56.79 -46.35 81.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.206 -179.527 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.69 -40.91 96.67 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.89 -179.614 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 156' ' ' PHE . . . . . 0.515 ' CE2' HG12 ' B' ' 152' ' ' VAL . 23.2 m-85 -66.45 -45.62 79.17 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.599 -0.728 . . . . 10.0 111.648 -179.798 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 18.1 m-30 -62.39 -40.69 97.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.096 0.474 . . . . 10.0 110.319 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 158' ' ' THR . . . . . 0.409 ' HA ' ' NH1' ' B' ' 161' ' ' ARG . 93.0 m -61.73 -36.68 81.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.763 -0.653 . . . . 10.0 111.775 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 40.0 tp -65.77 -44.81 84.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.176 -0.465 . . . . 10.0 110.645 179.578 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 57.5 t -65.63 -40.39 87.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.193 0.52 . . . . 10.0 110.485 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 161' ' ' ARG . . . . . 0.409 ' NH1' ' HA ' ' B' ' 158' ' ' THR . 28.2 ttp-105 -61.42 -31.89 71.83 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.46 -0.791 . . . . 10.0 111.394 179.627 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 162' ' ' GLU . . . . . 0.739 ' HB3' ' HB3' ' B' ' 110' ' ' PRO . 25.2 mm-40 -66.69 -50.76 61.8 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.347 -0.388 . . . . 10.0 110.962 179.757 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 163' ' ' ILE . . . . . 0.442 HD11 ' HA3' ' B' ' 77' ' ' GLY . 14.9 mt -59.71 -29.54 43.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.509 -0.769 . . . . 10.0 112.194 -179.154 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 3.0 mtt85 -66.27 -17.72 64.92 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.119 0.414 . . . . 10.0 112.119 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 165' ' ' LYS . . . . . 0.606 ' HD3' ' HG2' ' C' ' 135' ' ' ARG . 55.7 mtmt . . . . . 0 C--N 1.324 -0.537 0 N-CA-C 112.114 0.413 . . . . 10.0 112.114 -179.419 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.454 -0.227 0 CA-C-O 120.884 0.373 . . . . 10.0 110.865 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 4.2 m -77.05 124.88 28.43 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.314 -0.403 . . . . 10.0 110.71 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -89.59 128.83 36.09 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.991 -0.55 . . . . 10.0 110.007 179.577 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -117.99 125.47 50.45 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.992 -0.373 . . . . 10.0 109.992 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 5' ' ' LYS . . . . . 0.4 ' HB2' ' HG3' ' C' ' 76' ' ' GLU . 67.2 mttm -95.1 111.66 23.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.388 -0.369 . . . . 10.0 110.569 -179.72 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 6' ' ' LEU . . . . . 0.496 HD11 HG12 ' C' ' 55' ' ' ILE . 0.7 OUTLIER -123.61 131.28 53.58 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.143 -0.48 . . . . 10.0 111.938 -179.396 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 20.4 t -114.36 132.37 63.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.354 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 10.1 t -96.55 122.22 47.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.552 -0.536 . . . . 10.0 109.552 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 11.5 m -123.04 157.38 28.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.41 -179.369 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 152.14 176.31 24.68 Favored Glycine 0 N--CA 1.451 -0.33 0 N-CA-C 111.289 -0.724 . . . . 10.0 111.289 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.74 174.91 4.63 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.946 0.373 . . . . 10.0 111.344 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.65 145.53 27.94 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.983 0.42 . . . . 10.0 111.337 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 74.62 18.35 80.0 Favored Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 115.439 -0.801 . . . . 10.0 113.944 179.093 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 14' ' ' VAL . . . . . 0.471 ' CG2' ' HG3' ' C' ' 16' ' ' LYS . 30.5 m -87.36 -29.73 5.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 117.456 0.628 . . . . 10.0 112.299 -179.65 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 15' ' ' GLY . . . . . 0.529 ' HA3' ' ND2' ' C' ' 116' ' ' ASN . . . 116.09 18.11 6.04 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.684 -0.77 . . . . 10.0 113.195 179.635 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 16' ' ' LYS . . . . . 0.613 ' HG2' ' HB ' ' C' ' 81' ' ' VAL . 54.3 mtmt -57.94 -46.41 85.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.14 0.495 . . . . 10.0 111.33 -179.806 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 14.9 m -76.56 -35.12 58.4 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.998 -178.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.19 -47.33 86.42 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.931 0.396 . . . . 10.0 110.72 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 71.3 mt -61.57 -45.72 92.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.923 -0.58 . . . . 10.0 111.141 179.445 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 8.1 m -63.26 -40.56 97.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.085 0.469 . . . . 10.0 111.639 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 71.3 mt -65.81 -29.95 48.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.508 179.624 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 22' ' ' GLN . . . . . 0.543 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 8.8 mm-40 -69.36 -17.2 63.67 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.338 -0.392 . . . . 10.0 111.39 179.14 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 20.7 tp -94.68 -37.05 11.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.96 0.409 . . . . 10.0 110.708 179.094 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 36.6 mm -83.91 -72.31 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.472 -0.331 . . . . 10.0 111.217 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 25' ' ' GLN . . . . . 0.564 ' HB3' ' HD2' ' C' ' 27' ' ' HIS . 79.2 mt-30 -76.11 -21.49 56.6 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.117 -0.492 . . . . 10.0 111.385 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 26' ' ' ASN . . . . . 0.543 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 32.7 m-80 68.67 34.68 3.37 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 113.403 0.89 . . . . 10.0 113.403 178.267 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 27' ' ' HIS . . . . . 0.564 ' HD2' ' HB3' ' C' ' 25' ' ' GLN . 3.8 p80 -140.11 156.49 46.54 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.468 -0.333 . . . . 10.0 110.117 178.742 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -97.31 118.13 33.09 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.028 0.442 . . . . 10.0 111.413 -179.522 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -78.84 103.82 6.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 109.359 -0.608 . . . . 10.0 109.359 178.788 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -74.27 -16.53 60.94 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.208 0.528 . . . . 10.0 110.966 -179.479 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.89 142.76 27.1 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.386 -0.825 . . . . 10.0 109.08 178.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -93.96 112.01 23.79 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 112.285 0.476 . . . . 10.0 112.285 -179.485 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -114.58 108.97 48.64 Favored Pre-proline 0 C--N 1.326 -0.423 0 N-CA-C 109.011 -0.737 . . . . 10.0 109.011 178.033 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -62.74 85.02 0.11 Allowed 'Trans proline' 0 CA--C 1.528 0.213 0 C-N-CA 123.137 2.558 . . . . 10.0 113.147 -179.239 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.75 106.97 6.55 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.509 -0.552 . . . . 10.0 109.509 178.827 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 36' ' ' ILE . . . . . 0.804 ' HA ' ' HB2' ' C' ' 59' ' ' ALA . 49.0 mm -64.5 -52.11 59.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 CA-C-N 116.029 -0.532 . . . . 10.0 111.319 -179.127 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -155.56 98.16 1.93 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.882 -0.599 . . . . 10.0 109.387 -179.343 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -123.05 139.56 53.94 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.283 -0.417 . . . . 10.0 111.032 -179.072 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.53 140.78 48.85 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.911 0.386 . . . . 10.0 111.623 -179.259 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -127.18 141.86 51.64 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.953 -0.567 . . . . 10.0 109.584 -179.608 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 41' ' ' ARG . . . . . 0.427 ' HA ' ' O ' ' C' ' 53' ' ' LEU . 1.0 OUTLIER -118.87 122.74 43.02 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.909 -0.404 . . . . 10.0 109.909 179.493 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 47.1 tptt -132.4 123.22 26.31 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 121.18 -0.208 . . . . 10.0 111.122 -179.445 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -102.22 104.98 15.58 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.673 -0.491 . . . . 10.0 109.673 179.274 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 3.1 m -132.95 164.0 36.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.879 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 23.7 t -96.7 111.68 27.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.035 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 75.6 mt -113.58 119.1 60.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.934 -179.363 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 47' ' ' ASP . . . . . 0.946 ' HA ' ' HB3' ' B' ' 128' ' ' LYS . 55.9 m-20 60.05 28.79 18.37 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.719 -0.673 . . . . 10.0 112.485 179.698 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.88 -14.93 63.98 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.753 -0.737 . . . . 10.0 113.652 179.309 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -104.51 137.65 42.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 122.438 -0.449 . . . . 10.0 111.324 -179.405 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 1.1 m -78.54 122.21 25.59 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.691 -0.855 . . . . 10.0 108.691 178.622 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 3.8 m -119.01 143.73 46.91 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 113.111 0.782 . . . . 10.0 113.111 -177.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 59.5 tp -105.84 99.49 9.09 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 107.199 -1.408 . . . . 10.0 107.199 177.325 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 53' ' ' LEU . . . . . 0.427 ' O ' ' HA ' ' C' ' 41' ' ' ARG . 22.5 mt -80.09 119.39 22.82 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 113.071 0.767 . . . . 10.0 113.071 -177.55 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -103.18 86.09 2.62 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.319 -1.363 . . . . 10.0 107.319 177.23 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 55' ' ' ILE . . . . . 0.496 HG12 HD11 ' C' ' 6' ' ' LEU . 5.6 mt -85.88 135.43 25.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.4 -0.818 . . . . 10.0 111.449 -177.852 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 43.5 tp -125.86 111.76 15.2 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.669 179.027 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -94.8 118.08 31.18 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.455 -0.793 . . . . 10.0 109.462 179.578 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 58' ' ' THR . . . . . 0.418 HG21 ' CE2' ' C' ' 71' ' ' TYR . 69.8 p -108.11 147.29 31.44 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.478 -179.19 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 59' ' ' ALA . . . . . 0.804 ' HB2' ' HA ' ' C' ' 36' ' ' ILE . . . -67.12 139.15 57.5 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.839 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -98.53 29.49 11.41 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.802 -0.713 . . . . 10.0 112.022 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -82.74 0.09 45.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.463 0.173 . . . . 10.0 111.073 -179.538 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 62' ' ' GLU . . . . . 0.485 ' O ' ' HB3' ' C' ' 63' ' ' GLU . 31.9 mm-40 65.29 -162.65 0.26 Allowed 'General case' 0 C--O 1.235 0.32 0 N-CA-C 112.538 0.569 . . . . 10.0 112.538 -179.433 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 63' ' ' GLU . . . . . 0.485 ' HB3' ' O ' ' C' ' 62' ' ' GLU . 24.5 tt0 77.89 -28.71 0.16 Allowed 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.345 0.658 . . . . 10.0 111.579 -178.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 64' ' ' TYR . . . . . 0.58 ' HB3' ' HB3' ' C' ' 67' ' ' MET . 11.2 m-85 -76.06 79.18 2.9 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.936 -179.753 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.45 -74.36 0.26 Allowed 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.214 0.53 . . . . 10.0 110.55 179.686 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -72.64 -25.84 61.43 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.227 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 67' ' ' MET . . . . . 0.58 ' HB3' ' HB3' ' C' ' 64' ' ' TYR . 24.6 ttt -64.14 -25.32 68.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.758 -0.655 . . . . 10.0 110.501 179.423 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 68' ' ' ARG . . . . . 0.544 ' HG2' ' HE3' ' C' ' 72' ' ' MET . 1.4 tpp180 -73.41 -38.55 65.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.608 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 69' ' ' ASP . . . . . 0.408 ' HA ' ' HB2' ' C' ' 72' ' ' MET . 0.3 OUTLIER -57.07 -35.89 69.9 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.233 -0.439 . . . . 10.0 111.89 179.9 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -50.49 -48.93 56.63 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.828 -0.624 . . . . 10.0 112.399 -179.293 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 71' ' ' TYR . . . . . 0.51 ' CZ ' ' HA ' ' C' ' 68' ' ' ARG . 4.3 p90 -95.58 -10.64 29.01 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.41 0.522 . . . . 10.0 112.41 -179.226 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 72' ' ' MET . . . . . 0.544 ' HE3' ' HG2' ' C' ' 68' ' ' ARG . 22.2 mtt -76.03 -33.82 59.66 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.804 0.335 . . . . 10.0 111.17 179.75 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 25.8 mtm180 -73.88 -35.45 64.72 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.891 0.377 . . . . 10.0 111.226 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -75.0 -45.32 42.76 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.913 -0.585 . . . . 10.0 112.54 -179.126 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -63.42 146.0 50.19 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.773 -0.727 . . . . 10.0 113.141 -179.493 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 76' ' ' GLU . . . . . 0.4 ' HG3' ' HB2' ' C' ' 5' ' ' LYS . 31.5 mt-10 -100.22 -51.49 3.64 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.109 0.481 . . . . 10.0 110.003 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -105.92 137.81 13.99 Favored Glycine 0 N--CA 1.448 -0.544 0 CA-C-N 115.593 -0.73 . . . . 10.0 111.353 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 78' ' ' PHE . . . . . 0.668 ' HB2' ' HG2' ' C' ' 111' ' ' MET . 84.5 m-85 -114.37 125.26 53.66 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.341 0.591 . . . . 10.0 112.145 -179.343 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 79' ' ' LEU . . . . . 0.676 HD13 HD22 ' C' ' 159' ' ' LEU . 12.4 tp -102.38 104.56 15.05 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.369 -0.832 . . . . 10.0 109.853 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 80' ' ' CYS . . . . . 0.766 ' HB3' HD12 ' C' ' 93' ' ' ILE . 72.6 m -90.54 104.89 17.42 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.378 -0.374 . . . . 10.0 110.087 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 81' ' ' VAL . . . . . 0.613 ' HB ' ' HG2' ' C' ' 16' ' ' LYS . 94.8 t -104.89 119.84 54.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.813 -0.63 . . . . 10.0 110.721 -179.474 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 82' ' ' PHE . . . . . 0.57 ' HE2' ' HG ' ' C' ' 113' ' ' LEU . 36.5 p90 -123.48 163.75 20.28 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.476 -0.784 . . . . 10.0 109.459 178.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 83' ' ' ALA . . . . . 0.493 ' HB3' ' HB3' ' C' ' 86' ' ' ASN . . . -100.85 131.74 46.59 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 120.807 0.337 . . . . 10.0 110.306 179.774 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 84' ' ' ILE . . . . . 0.607 HD12 ' HB3' ' C' ' 123' ' ' ARG . 14.7 pt -67.1 -14.7 18.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.321 -0.4 . . . . 10.0 112.047 -179.367 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 85' ' ' ASN . . . . . 0.401 ' OD1' ' HB1' ' C' ' 83' ' ' ALA . 28.8 p-10 -102.68 0.65 33.43 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.96 0.41 . . . . 10.0 110.429 179.41 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 86' ' ' ASN . . . . . 0.493 ' HB3' ' HB3' ' C' ' 83' ' ' ALA . 44.3 t-20 -122.33 94.83 4.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.359 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -62.07 -32.57 73.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.859 -0.61 . . . . 10.0 111.799 -179.422 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -60.96 -42.77 98.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.86 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 98.4 p -69.0 -30.09 68.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.431 -0.35 . . . . 10.0 111.031 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 90' ' ' PHE . . . . . 0.404 ' HB2' HG21 ' C' ' 125' ' ' VAL . 73.0 t80 -66.15 -48.59 70.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.548 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -72.6 -19.4 61.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.937 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.67 -22.56 60.9 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.362 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 93' ' ' ILE . . . . . 0.766 HD12 ' HB3' ' C' ' 80' ' ' CYS . 47.6 mm -60.26 -32.52 50.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.222 -0.445 . . . . 10.0 109.817 179.212 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 64.1 t60 -61.38 -47.3 86.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.907 -0.588 . . . . 10.0 109.874 179.15 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 81.6 m-70 -64.3 -32.4 73.98 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.824 -0.625 . . . . 10.0 110.631 -179.685 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -71.08 -49.63 42.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.239 179.315 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -58.46 -43.05 88.7 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.642 179.476 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -66.02 -35.95 81.95 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.998 -0.546 . . . . 10.0 111.551 179.625 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -67.74 -45.05 76.08 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.814 0.34 . . . . 10.0 110.203 179.177 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 100' ' ' ILE . . . . . 0.425 HG21 HG11 ' C' ' 109' ' ' VAL . 80.5 mt -56.26 -49.94 73.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 115.672 -0.694 . . . . 10.0 111.193 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 36.5 mtmt -59.5 -35.54 74.35 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.297 0.48 . . . . 10.0 112.297 -179.293 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 9.0 tmm_? -76.42 -41.69 46.81 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.067 0.46 . . . . 10.0 110.793 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 44.5 t -68.45 -42.75 84.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 112.801 0.667 . . . . 10.0 112.801 -178.699 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -93.95 -15.62 24.74 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.984 0.735 . . . . 10.0 112.984 -178.583 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 26.3 t70 61.58 58.62 2.01 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.412 0.625 . . . . 10.0 111.794 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 69.3 m -159.54 140.76 12.75 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.337 -0.392 . . . . 10.0 111.462 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -84.48 -39.22 19.16 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.295 -0.632 . . . . 10.0 109.295 178.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.86 96.42 9.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.517 -0.765 . . . . 10.0 110.181 179.551 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 109' ' ' VAL . . . . . 0.425 HG11 HG21 ' C' ' 100' ' ' ILE . 14.5 t -124.56 129.2 24.73 Favored Pre-proline 0 C--N 1.323 -0.553 0 N-CA-C 109.606 -0.516 . . . . 10.0 109.606 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 110' ' ' PRO . . . . . 0.416 ' HG3' ' CB ' ' C' ' 166' ' ' HIS . 20.0 Cg_exo -67.11 97.67 0.42 Allowed 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 122.664 2.242 . . . . 10.0 111.126 179.155 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 111' ' ' MET . . . . . 0.668 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 53.1 mtm -130.02 152.66 49.23 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.344 -0.389 . . . . 10.0 110.388 -179.629 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 91.3 t -135.95 134.54 50.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.971 -0.559 . . . . 10.0 109.774 179.034 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 113' ' ' LEU . . . . . 0.57 ' HG ' ' HE2' ' C' ' 82' ' ' PHE . 14.7 tp -92.21 114.25 26.74 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.378 -0.601 . . . . 10.0 109.378 179.636 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 40.6 t -117.71 121.46 67.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.261 -0.427 . . . . 10.0 111.791 -179.136 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -100.07 115.61 5.35 Favored Glycine 0 N--CA 1.45 -0.375 0 N-CA-C 110.794 -0.922 . . . . 10.0 110.794 178.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 116' ' ' ASN . . . . . 0.529 ' ND2' ' HA3' ' C' ' 15' ' ' GLY . 65.0 t30 -94.02 166.6 12.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 117.204 0.502 . . . . 10.0 111.801 -178.852 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 93.4 mttt 64.96 31.65 11.16 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.526 -0.761 . . . . 10.0 111.59 179.413 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 118' ' ' CYS . . . . . 0.536 ' HA ' ' CD1' ' C' ' 84' ' ' ILE . 90.7 m -73.02 -1.9 19.03 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.578 0.585 . . . . 10.0 112.578 -179.511 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -92.45 -7.78 46.54 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.974 0.416 . . . . 10.0 110.299 179.218 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 71.0 mt -89.98 135.46 30.18 Favored Pre-proline 0 C--O 1.235 0.319 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.576 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -76.46 168.46 23.74 Favored 'Trans proline' 0 C--O 1.238 0.518 0 C-N-CA 122.877 2.385 . . . . 10.0 112.635 -179.363 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 12.9 m 58.18 64.66 1.45 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.585 -0.734 . . . . 10.0 111.337 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 123' ' ' ARG . . . . . 0.607 ' HB3' HD12 ' C' ' 84' ' ' ILE . 6.4 ptp180 -84.84 152.43 23.61 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.42 -179.562 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 3.3 p -94.09 -39.34 10.65 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.855 0.36 . . . . 10.0 110.789 179.401 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 125' ' ' VAL . . . . . 0.43 ' HA ' ' OE1' ' C' ' 129' ' ' GLN . 91.8 t -93.06 109.95 22.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-O 120.988 0.423 . . . . 10.0 110.531 179.312 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -69.43 146.64 51.85 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.11 -0.7 . . . . 10.0 109.11 178.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 11.1 m -55.28 -35.48 65.09 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.811 0.338 . . . . 10.0 110.401 179.432 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 128' ' ' LYS . . . . . 0.546 ' HB3' ' HA ' ' B' ' 47' ' ' ASP . 24.7 mttp -63.57 -49.31 73.89 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 112.999 0.741 . . . . 10.0 112.999 -178.499 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 129' ' ' GLN . . . . . 0.43 ' OE1' ' HA ' ' C' ' 125' ' ' VAL . 5.0 pt20 -63.5 -35.38 80.26 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.693 -0.403 . . . . 10.0 111.217 -179.655 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -69.11 -38.05 78.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.048 0.452 . . . . 10.0 109.784 178.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -67.35 -42.09 84.09 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.745 -0.661 . . . . 10.0 110.099 179.211 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -62.96 -44.4 96.14 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 116.115 -0.493 . . . . 10.0 111.077 179.646 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 37.8 tp -61.75 -41.27 97.46 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 116.544 -0.298 . . . . 10.0 110.305 179.374 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.2 -30.8 71.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.481 179.014 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 135' ' ' ARG . . . . . 0.606 ' HG2' ' HD3' ' B' ' 165' ' ' LYS . 1.6 tmm_? -64.14 -36.33 83.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.595 179.521 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 14.7 m -80.46 -10.59 59.74 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.027 -0.533 . . . . 10.0 111.22 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 10.2 m-30 -99.88 -31.94 11.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.111 179.573 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 90.06 13.42 60.56 Favored Glycine 0 C--N 1.332 0.313 0 N-CA-C 111.351 -0.7 . . . . 10.0 111.351 -179.42 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 43.3 pt -108.52 165.62 12.35 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.554 -0.323 . . . . 10.0 110.481 -179.158 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -91.67 154.65 3.49 Favored 'Trans proline' 0 CA--C 1.536 0.619 0 C-N-CA 123.051 2.501 . . . . 10.0 112.339 178.736 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -127.59 131.37 49.96 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.171 -0.468 . . . . 10.0 110.486 -179.603 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 34.3 mt -131.1 139.63 50.55 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.106 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 143' ' ' GLU . . . . . 0.458 ' HB3' ' SG ' ' C' ' 118' ' ' CYS . 42.4 mt-10 -94.88 116.84 29.22 Favored 'General case' 0 C--O 1.233 0.204 0 N-CA-C 108.984 -0.747 . . . . 10.0 108.984 178.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 144' ' ' THR . . . . . 0.486 HG22 ' HA3' ' C' ' 151' ' ' GLY . 72.6 p -124.42 176.46 6.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.881 0.848 . . . . 10.0 112.92 -178.453 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 12.0 t -157.2 129.15 7.16 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.792 -1.095 . . . . 10.0 108.371 178.206 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -78.19 -25.3 47.07 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.006 0.431 . . . . 10.0 110.076 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 39.6 mtpt -67.95 -52.13 39.62 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.72 -0.673 . . . . 10.0 110.998 179.278 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -85.62 -11.35 54.13 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.453 -0.34 . . . . 10.0 111.067 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 27.9 ttt-85 60.51 34.3 20.41 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.549 0.69 . . . . 10.0 110.599 -179.21 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -97.54 126.73 43.0 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.164 -0.926 . . . . 10.0 111.094 -179.432 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 151' ' ' GLY . . . . . 0.486 ' HA3' HG22 ' C' ' 144' ' ' THR . . . 83.47 -4.03 83.0 Favored Glycine 0 CA--C 1.52 0.351 0 CA-C-N 115.897 -0.592 . . . . 10.0 113.572 179.098 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 152' ' ' VAL . . . . . 0.421 ' O ' ' HD2' ' C' ' 156' ' ' PHE . 98.8 t -57.78 -52.25 60.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.772 0.32 . . . . 10.0 111.719 -179.15 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -62.53 -50.51 71.07 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.187 -0.46 . . . . 10.0 111.938 -178.774 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -59.09 -38.97 80.78 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.571 0.582 . . . . 10.0 112.571 -178.755 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -57.24 -43.94 83.38 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.904 0.383 . . . . 10.0 110.899 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 156' ' ' PHE . . . . . 0.457 ' O ' HG23 ' C' ' 160' ' ' VAL . 61.4 m-85 -73.92 -46.48 44.03 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.778 179.477 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -57.8 -47.79 81.57 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.771 -0.65 . . . . 10.0 111.724 -179.462 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 158' ' ' THR . . . . . 0.464 ' O ' ' HG2' ' C' ' 162' ' ' GLU . 43.7 m -62.2 -37.95 87.27 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.317 -0.401 . . . . 10.0 111.217 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 159' ' ' LEU . . . . . 0.676 HD22 HD13 ' C' ' 79' ' ' LEU . 54.3 tp -62.17 -43.17 99.43 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 120.996 0.427 . . . . 10.0 109.953 178.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 160' ' ' VAL . . . . . 0.457 HG23 ' O ' ' C' ' 156' ' ' PHE . 84.4 t -63.88 -42.27 95.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.554 0.692 . . . . 10.0 109.376 178.598 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 161' ' ' ARG . . . . . 0.432 ' HD3' ' OD2' ' C' ' 47' ' ' ASP . 6.7 ttp180 -61.5 -37.07 82.34 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.857 -1.065 . . . . 10.0 110.607 179.679 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 162' ' ' GLU . . . . . 0.464 ' HG2' ' O ' ' C' ' 158' ' ' THR . 18.1 mm-40 -69.07 -34.23 74.81 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.743 179.376 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 163' ' ' ILE . . . . . 0.424 HG13 ' O ' ' C' ' 159' ' ' LEU . 71.4 mt -62.37 -45.48 98.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 109.679 -0.489 . . . . 10.0 109.679 178.748 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 164' ' ' ARG . . . . . 0.555 HH12 ' HB2' ' C' ' 47' ' ' ASP . 94.3 mtt180 -60.97 -45.48 94.59 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.127 -0.694 . . . . 10.0 109.127 178.484 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 29.1 ttmt -53.9 -49.74 67.92 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.083 -0.962 . . . . 10.0 109.989 179.069 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 166' ' ' HIS . . . . . 0.416 ' CB ' ' HG3' ' C' ' 110' ' ' PRO . 14.8 t-80 -55.37 -47.49 75.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.438 . . . . 10.0 111.298 179.42 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 167' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' C' ' 163' ' ' ILE . 71.8 mttt . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.273 -0.422 . . . . 10.0 111.861 -179.296 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 7.1 tmtm? . . . . . 0 C--O 1.233 0.229 0 CA-C-O 120.97 0.414 . . . . 10.0 110.965 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 82.1 mt -64.84 -33.73 76.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.812 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 61.7 mt -58.45 -46.14 87.14 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.805 -0.634 . . . . 10.0 111.646 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -80.09 -34.43 37.98 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.566 -0.453 . . . . 10.0 111.454 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 206' ' ' ASN . . . . . 0.442 ' HA ' HD22 ' A' ' 206' ' ' ASN . 6.4 m120 -64.45 -35.26 80.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.023 0.439 . . . . 10.0 110.282 178.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 42.3 t90 -70.2 -27.83 64.81 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.431 -0.581 . . . . 10.0 109.431 178.732 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -64.08 -38.84 92.54 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.793 -0.639 . . . . 10.0 109.868 179.563 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.16 -34.96 78.68 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.168 179.132 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 46.4 t -68.89 -40.61 81.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 109.068 -0.716 . . . . 10.0 109.068 178.707 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 90.3 m -60.64 -44.04 96.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.366 -0.834 . . . . 10.0 110.337 179.177 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.75 -35.59 81.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.993 0.425 . . . . 10.0 109.914 179.321 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 213' ' ' THR . . . . . 0.445 ' O ' ' HG ' ' A' ' 217' ' ' LEU . 34.9 m -64.81 -44.63 89.27 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.096 -0.705 . . . . 10.0 109.096 178.698 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -59.48 -42.67 92.61 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.178 179.078 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 19.4 m -60.55 -50.55 73.11 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.824 -0.626 . . . . 10.0 110.293 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 36.3 mmtt -62.41 -33.75 75.4 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.163 -0.472 . . . . 10.0 110.451 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 217' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 213' ' ' THR . 71.4 mt -65.47 -47.35 76.36 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.099 178.769 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 58.8 mtt85 -64.88 -38.75 92.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.33 -0.396 . . . . 10.0 110.774 179.67 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -63.54 -24.48 67.83 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.681 179.398 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -96.95 -33.55 11.55 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.812 -0.631 . . . . 10.0 110.675 179.451 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 17.6 mt -53.15 -42.6 66.28 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 116.357 -0.383 . . . . 10.0 111.488 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -54.79 -67.32 2.26 Favored Glycine 0 N--CA 1.45 -0.403 0 N-CA-C 111.368 -0.693 . . . . 10.0 111.368 178.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -53.24 -42.93 61.41 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.516 2.144 . . . . 10.0 111.233 178.224 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 5.7 t -55.57 -52.04 51.59 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 CA-C-N 116.387 -0.369 . . . . 10.0 111.542 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 225' ' ' THR . . . . . 0.543 ' O ' ' HB2' ' A' ' 229' ' ' TRP . 6.6 p -67.03 -37.39 84.03 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.866 -0.334 . . . . 10.0 110.856 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -62.71 -50.36 71.42 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.028 0.442 . . . . 10.0 110.838 179.038 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -66.8 -41.93 86.76 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.925 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -66.3 -43.72 85.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.425 -0.352 . . . . 10.0 111.339 179.422 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 229' ' ' TRP . . . . . 0.543 ' HB2' ' O ' ' A' ' 225' ' ' THR . 0.9 OUTLIER -65.1 -38.42 90.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.779 0.323 . . . . 10.0 110.714 179.784 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -60.99 -45.57 94.26 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.291 0.567 . . . . 10.0 109.672 178.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 231' ' ' ASN . . . . . 0.942 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 62.5 m-20 -70.83 -35.56 72.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.483 -0.78 . . . . 10.0 110.256 179.242 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 19.3 mt -65.02 -40.22 94.54 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.469 -0.567 . . . . 10.0 109.469 178.276 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 233' ' ' GLU . . . . . 0.464 ' HA ' ' OG1' ' A' ' 236' ' ' THR . 2.5 mm-40 -63.09 -34.5 77.73 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.665 179.204 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 234' ' ' LYS . . . . . 0.942 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 50.7 mttt -62.54 -37.4 85.94 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 108.607 -0.886 . . . . 10.0 108.607 178.237 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -72.26 -44.78 62.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.073 -0.967 . . . . 10.0 110.682 178.757 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 236' ' ' THR . . . . . 0.464 ' OG1' ' HA ' ' A' ' 233' ' ' GLU . 0.0 OUTLIER -63.96 -38.7 92.03 Favored 'General case' 0 CA--C 1.521 -0.143 0 C-N-CA 120.745 -0.382 . . . . 10.0 110.328 179.385 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 237' ' ' GLU . . . . . 0.425 ' HA ' ' HD2' ' A' ' 240' ' ' ARG . 10.2 tt0 -65.24 -42.1 93.7 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 108.873 -0.788 . . . . 10.0 108.873 178.454 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 238' ' ' GLY . . . . . 0.432 ' O ' ' HB2' ' A' ' 242' ' ' GLU . . . -62.66 -40.35 99.06 Favored Glycine 0 N--CA 1.447 -0.576 0 N-CA-C 110.021 -1.232 . . . . 10.0 110.021 178.005 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 13.4 mt -67.74 -34.57 77.1 Favored 'General case' 0 C--O 1.224 -0.272 0 C-N-CA 122.655 0.382 . . . . 10.0 110.662 178.511 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 240' ' ' ARG . . . . . 0.425 ' HD2' ' HA ' ' A' ' 237' ' ' GLU . 41.4 mtt180 -65.24 -39.69 93.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.101 0.477 . . . . 10.0 109.925 178.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -77.99 -28.03 49.16 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.014 -0.735 . . . . 10.0 109.014 178.557 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 242' ' ' GLU . . . . . 0.432 ' HB2' ' O ' ' A' ' 238' ' ' GLY . 3.9 tt0 -69.48 -37.2 77.16 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 108.302 -0.999 . . . . 10.0 108.302 178.433 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 243' ' ' MET . . . . . 0.456 ' HG3' HD12 ' A' ' 247' ' ' LEU . 38.1 ttm -60.57 -34.47 74.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.442 -0.799 . . . . 10.0 110.259 178.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 14.7 m -70.15 1.88 4.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.716 -0.674 . . . . 10.0 111.59 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -128.79 -46.98 1.26 Allowed 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.751 -0.659 . . . . 10.0 110.025 178.206 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 246' ' ' ASP . . . . . 0.617 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 19.6 t70 -64.43 -56.24 15.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.339 -0.391 . . . . 10.0 110.839 179.39 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 247' ' ' LEU . . . . . 0.496 ' HA ' HG12 ' A' ' 250' ' ' VAL . 13.6 mt -75.68 -40.63 55.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.387 -0.369 . . . . 10.0 111.6 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -60.49 -51.53 69.06 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.491 -0.322 . . . . 10.0 111.781 -179.658 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -70.53 -33.42 71.14 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 121.031 -0.268 . . . . 10.0 111.577 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 250' ' ' VAL . . . . . 0.632 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 1.9 p -67.02 -32.15 56.64 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.209 0 C-N-CA 120.889 -0.324 . . . . 10.0 110.881 179.388 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 251' ' ' LYS . . . . . 0.476 ' O ' HG12 ' A' ' 254' ' ' VAL . 95.7 mttt -80.55 -38.14 30.15 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-O 121.025 0.441 . . . . 10.0 110.595 179.146 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -68.41 -39.05 81.75 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.005 -0.543 . . . . 10.0 109.691 178.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 50.3 mttt -80.15 -23.68 40.95 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.718 -0.674 . . . . 10.0 111.32 179.349 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 254' ' ' VAL . . . . . 0.632 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.3 OUTLIER -62.74 -27.6 43.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 C-N-CA 121.066 -0.254 . . . . 10.0 110.896 -179.59 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 255' ' ' GLN . . . . . 0.475 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 27.6 mt-30 -61.04 -63.61 4.12 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.987 179.391 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 256' ' ' PRO . . . . . 0.475 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 30.0 Cg_endo -65.97 -32.82 43.88 Favored 'Trans proline' 0 C--N 1.355 0.921 0 C-N-CA 121.687 1.591 . . . . 10.0 112.057 178.527 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 4.8 m-30 -62.4 -55.19 30.29 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.871 0.367 . . . . 10.0 110.242 179.545 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 258' ' ' LEU . . . . . 0.435 ' HG ' HG22 ' A' ' 254' ' ' VAL . 49.6 mt -66.66 -33.5 75.79 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.855 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -62.95 -46.05 89.57 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 109.716 -0.475 . . . . 10.0 109.716 179.027 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -63.0 -47.8 81.57 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.821 -0.627 . . . . 10.0 110.272 179.186 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -61.94 -42.72 99.43 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.978 179.276 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -65.78 -40.47 92.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.052 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 263' ' ' LYS . . . . . 0.473 ' HE3' ' HB2' ' A' ' 263' ' ' LYS . 14.4 ttmt -61.54 -46.19 91.01 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.017 -0.734 . . . . 10.0 109.017 178.694 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 264' ' ' LYS . . . . . . . . . . . . . 44.9 mttp -61.74 -47.15 86.5 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 115.444 -0.798 . . . . 10.0 109.67 178.717 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 20.1 m95 -58.71 -42.54 88.91 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 115.681 -0.691 . . . . 10.0 110.782 179.443 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -59.33 -52.18 66.75 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 110.065 -0.346 . . . . 10.0 110.065 179.228 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -60.81 -47.1 87.89 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.545 179.108 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 268' ' ' GLU . . . . . 0.413 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 32.5 mt-10 -59.54 -44.1 93.32 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.715 -0.675 . . . . 10.0 111.489 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 82.4 mmm -66.53 -46.07 77.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.284 -0.416 . . . . 10.0 111.111 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -62.52 -41.75 99.06 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.583 -0.28 . . . . 10.0 110.691 179.39 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 35.3 mt -65.65 -39.58 91.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 10.0 109.897 178.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 272' ' ' TYR . . . . . 0.482 ' HD1' ' HA ' ' A' ' 272' ' ' TYR . 0.1 OUTLIER -63.85 -44.08 94.2 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.292 179.049 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 273' ' ' ARG . . . . . 0.704 ' HA ' HG12 ' A' ' 276' ' ' VAL . 99.5 mtt180 -69.61 -36.5 76.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.39 -0.368 . . . . 10.0 110.965 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -67.51 -17.63 64.74 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.901 -0.591 . . . . 10.0 110.045 178.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 275' ' ' LYS . . . . . 0.575 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 8.0 mptt -101.39 -44.64 5.57 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.663 -0.699 . . . . 10.0 110.808 179.329 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 276' ' ' VAL . . . . . 0.704 HG12 ' HA ' ' A' ' 273' ' ' ARG . 4.2 p -56.31 -34.87 41.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 112.773 0.657 . . . . 10.0 112.773 -178.297 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -64.05 -60.84 7.88 Favored Pre-proline 0 CA--C 1.539 0.542 0 N-CA-C 112.338 0.496 . . . . 10.0 112.338 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -64.59 -35.03 49.83 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 121.927 1.751 . . . . 10.0 111.745 178.44 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 279' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' A' ' 275' ' ' LYS . 51.5 mt -66.8 -37.86 85.38 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.846 0.355 . . . . 10.0 110.323 179.372 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 280' ' ' ARG . . . . . 0.593 ' HB2' ' O ' ' A' ' 276' ' ' VAL . 8.7 ttt180 -65.17 -33.24 75.54 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.079 -0.712 . . . . 10.0 109.079 179.01 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -64.46 -46.98 80.75 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.06 -0.718 . . . . 10.0 109.06 178.278 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -60.33 -46.14 90.96 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.259 178.542 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 95.2 mt -63.38 -43.77 96.65 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 115.625 -0.716 . . . . 10.0 110.898 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -66.25 -51.89 53.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 10.0 111.115 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -61.5 -42.67 99.14 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 120.79 0.329 . . . . 10.0 110.587 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -62.17 -46.26 94.35 Favored Glycine 0 N--CA 1.447 -0.601 0 N-CA-C 110.789 -0.924 . . . . 10.0 110.789 178.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -63.07 -39.95 96.23 Favored 'General case' 0 C--O 1.221 -0.422 0 N-CA-C 109.998 -0.371 . . . . 10.0 109.998 179.059 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -55.6 -43.84 76.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.424 179.296 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -74.34 -45.48 46.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.755 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -59.74 -42.45 93.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.301 -0.409 . . . . 10.0 110.544 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 291' ' ' LEU . . . . . 0.663 HD23 HD12 ' A' ' 294' ' ' LEU . 93.8 mt -67.37 -33.1 74.51 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.75 -0.463 . . . . 10.0 109.75 178.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -66.89 -42.02 86.22 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.183 -0.673 . . . . 10.0 109.183 178.073 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.94 -35.12 79.64 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.036 -0.728 . . . . 10.0 109.036 178.02 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 294' ' ' LEU . . . . . 0.663 HD12 HD23 ' A' ' 291' ' ' LEU . 76.9 mt -67.32 -48.75 66.65 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 109.069 -0.715 . . . . 10.0 109.069 178.158 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -59.97 -35.83 75.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.927 -0.579 . . . . 10.0 110.236 179.194 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -65.61 -7.47 15.18 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.515 -0.766 . . . . 10.0 111.3 179.134 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 297' ' ' LYS . . . . . 0.452 ' HD3' ' HA ' ' A' ' 297' ' ' LYS . 16.0 mmtp -120.75 -29.95 4.56 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 120.943 0.401 . . . . 10.0 110.13 178.555 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 298' ' ' LEU . . . . . 0.542 ' HG ' ' O ' ' A' ' 294' ' ' LEU . 91.6 mt -67.89 -32.82 73.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.349 -0.387 . . . . 10.0 111.331 179.462 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 299' ' ' SER . . . . . 0.437 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 12.8 m -74.79 -60.42 1.26 Allowed Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 112.433 0.531 . . . . 10.0 112.433 179.56 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 300' ' ' PRO . . . . . 0.437 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 32.0 Cg_endo -64.91 -53.08 0.99 Allowed 'Trans proline' 0 C--N 1.357 1.021 0 C-N-CA 121.876 1.717 . . . . 10.0 112.809 -179.451 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 301' ' ' LEU . . . . . 0.77 HD13 ' HG2' ' D' ' 473' ' ' LYS . 59.4 mt -68.3 -23.77 64.78 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.81 0.338 . . . . 10.0 110.301 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -73.54 -47.4 21.64 Favored Glycine 0 N--CA 1.448 -0.545 0 N-CA-C 110.545 -1.022 . . . . 10.0 110.545 178.411 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 303' ' ' GLU . . . . . 0.469 ' OE2' ' HA ' ' A' ' 303' ' ' GLU . 2.9 mm-40 -64.16 -40.44 96.15 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 109.074 -0.713 . . . . 10.0 109.074 178.342 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.16 -42.76 99.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.556 -0.747 . . . . 10.0 109.126 178.435 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 10.3 tpt -59.22 -41.47 88.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.211 179.387 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 306' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' A' ' 306' ' ' ARG . 63.9 mtt180 -65.93 -41.77 90.92 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.289 179.601 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 307' ' ' ASP . . . . . 0.616 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 20.0 t70 -69.29 -38.4 78.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.169 0.509 . . . . 10.0 110.08 179.208 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -65.79 -42.27 90.93 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.066 -0.716 . . . . 10.0 109.066 178.142 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 309' ' ' ALA . . . . . 0.588 ' HA ' ' HB2' ' A' ' 312' ' ' HIS . . . -61.52 -31.84 71.86 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.529 -0.76 . . . . 10.0 109.791 178.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 310' ' ' ARG . . . . . 0.616 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 89.6 mtt180 -58.18 -57.78 11.34 Favored 'General case' 0 C--O 1.221 -0.42 0 N-CA-C 109.017 -0.734 . . . . 10.0 109.017 178.446 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -67.64 -36.47 80.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.092 -0.504 . . . . 10.0 110.684 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 312' ' ' HIS . . . . . 0.588 ' HB2' ' HA ' ' A' ' 309' ' ' ALA . 0.2 OUTLIER -53.43 -52.35 59.69 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 115.95 -0.568 . . . . 10.0 109.929 179.397 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 60.4 t -81.28 -36.2 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.455 -0.793 . . . . 10.0 111.758 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 314' ' ' ASP . . . . . 0.544 ' HB2' ' O ' ' A' ' 310' ' ' ARG . 6.8 t70 -54.5 -47.12 73.42 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.699 0.285 . . . . 10.0 111.107 -179.556 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 315' ' ' ALA . . . . . 0.58 ' O ' ' HB2' ' A' ' 319' ' ' HIS . . . -61.39 -41.59 97.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.914 -0.585 . . . . 10.0 110.287 179.438 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 316' ' ' LEU . . . . . 0.47 ' HG ' ' HE3' ' D' ' 462' ' ' LYS . 29.1 mt -69.1 -40.27 78.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.989 -0.551 . . . . 10.0 111.273 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 25.2 ttm105 -65.81 -46.99 76.57 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.976 -0.379 . . . . 10.0 109.976 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 88.9 m -64.68 -35.2 80.27 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.637 -0.505 . . . . 10.0 109.637 179.263 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 319' ' ' HIS . . . . . 0.58 ' HB2' ' O ' ' A' ' 315' ' ' ALA . 0.1 OUTLIER -73.24 -32.39 64.7 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.15 -0.477 . . . . 10.0 110.186 179.488 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 320' ' ' LEU . . . . . 0.505 ' HA ' ' HB2' ' A' ' 323' ' ' TYR . 1.4 mt -74.24 -22.73 59.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.789 -0.641 . . . . 10.0 111.807 -179.682 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 321' ' ' ALA . . . . . 0.729 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -54.67 -58.57 13.65 Favored Pre-proline 0 CA--C 1.536 0.411 0 N-CA-C 112.108 0.41 . . . . 10.0 112.108 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 322' ' ' PRO . . . . . 0.729 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 12.7 Cg_exo -73.94 -28.13 11.49 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 121.909 1.739 . . . . 10.0 110.747 178.695 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 323' ' ' TYR . . . . . 0.505 ' HB2' ' HA ' ' A' ' 320' ' ' LEU . 8.4 m-30 -63.99 -51.35 64.72 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.076 -0.511 . . . . 10.0 111.187 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 324' ' ' SER . . . . . 0.469 ' HA ' ' HB2' ' A' ' 327' ' ' LEU . 35.0 p -68.3 -35.85 78.44 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.879 0.371 . . . . 10.0 110.186 179.561 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -59.27 -49.86 76.2 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.399 -0.593 . . . . 10.0 109.399 178.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -72.88 -24.56 60.87 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.696 -0.684 . . . . 10.0 110.768 179.181 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 327' ' ' LEU . . . . . 0.469 ' HB2' ' HA ' ' A' ' 324' ' ' SER . 7.0 mt -64.55 -36.04 82.91 Favored 'General case' 0 CA--C 1.52 -0.188 0 N-CA-C 108.86 -0.793 . . . . 10.0 108.86 177.468 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 328' ' ' ARG . . . . . 0.468 ' HG3' ' O ' ' A' ' 324' ' ' SER . 63.7 mtt180 -65.34 -37.01 85.77 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 108.768 -0.827 . . . . 10.0 108.768 178.122 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -70.32 -37.38 74.7 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.539 -0.755 . . . . 10.0 109.39 178.564 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 330' ' ' ARG . . . . . 0.43 HH21 ' CB ' ' D' ' 447' ' ' GLU . 16.7 mtt-85 -62.91 -47.67 82.25 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 108.342 -0.985 . . . . 10.0 108.342 177.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 48.2 mt -61.15 -41.2 96.33 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 115.074 -0.966 . . . . 10.0 109.687 178.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -60.88 -48.35 82.22 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.017 179.354 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -59.9 -46.21 90.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.458 -0.337 . . . . 10.0 110.519 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -63.3 -45.58 90.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.042 -0.527 . . . . 10.0 109.916 179.268 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 53.8 mt -63.77 -40.95 97.94 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.494 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -62.14 -40.93 97.61 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.71 -0.478 . . . . 10.0 109.71 179.157 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 337' ' ' ALA . . . . . 0.404 ' O ' ' HB3' ' A' ' 341' ' ' ASN . . . -65.89 -40.76 91.86 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.07 -0.715 . . . . 10.0 109.07 178.244 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 338' ' ' LEU . . . . . 0.58 ' O ' ' HA3' ' A' ' 342' ' ' GLY . 83.5 mt -74.6 -7.01 51.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.645 -0.707 . . . . 10.0 110.656 179.324 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 54.3 mttt -96.3 -53.06 3.75 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.507 -0.553 . . . . 10.0 109.507 179.045 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -66.38 -58.54 5.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.927 -0.579 . . . . 10.0 109.831 179.128 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 341' ' ' ASN . . . . . 0.485 ' O ' ' HG3' ' A' ' 345' ' ' ARG . 26.7 t-20 -70.52 -36.2 73.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.716 -0.675 . . . . 10.0 109.698 179.444 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 342' ' ' GLY . . . . . 0.58 ' HA3' ' O ' ' A' ' 338' ' ' LEU . . . -59.27 -44.73 96.28 Favored Glycine 0 C--N 1.335 0.514 0 CA-C-N 115.769 -0.65 . . . . 10.0 111.57 179.334 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -62.16 -39.78 98.1 Favored Glycine 0 N--CA 1.45 -0.381 0 N-CA-C 110.697 -0.961 . . . . 10.0 110.697 178.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -64.37 -40.62 96.2 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.821 -0.437 . . . . 10.0 109.821 178.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 345' ' ' ARG . . . . . 0.485 ' HG3' ' O ' ' A' ' 341' ' ' ASN . 46.8 mtm180 -62.05 -41.38 98.07 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 115.898 -0.592 . . . . 10.0 109.886 178.732 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 70.6 mt -63.27 -49.28 74.67 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.138 -0.483 . . . . 10.0 109.81 179.328 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.41 -41.62 89.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.094 179.206 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 348' ' ' GLU . . . . . 0.431 ' OE1' ' HB2' ' D' ' 429' ' ' ASN . 16.5 mt-10 -65.58 -45.94 81.33 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.867 -0.606 . . . . 10.0 110.147 178.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 5.4 m-30 -60.35 -41.72 94.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.355 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 48.4 m-70 -66.18 -42.2 89.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.481 179.041 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -63.65 -44.04 95.01 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.033 0.444 . . . . 10.0 110.102 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 10.9 mtmm -66.16 -34.67 78.56 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 115.721 -0.672 . . . . 10.0 109.863 178.566 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 353' ' ' ALA . . . . . 0.423 ' O ' ' HG ' ' A' ' 357' ' ' LEU . . . -63.17 -40.31 97.17 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.44 -0.578 . . . . 10.0 109.44 178.674 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 2.6 m -64.28 -35.91 82.37 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.57 -0.53 . . . . 10.0 109.57 178.547 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -66.27 -36.83 84.0 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 109.243 -0.651 . . . . 10.0 109.243 178.602 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 45.2 m-70 -73.26 -27.77 61.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.417 -0.811 . . . . 10.0 109.984 178.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 357' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 353' ' ' ALA . 79.6 mt -74.41 -42.11 59.76 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.992 -0.549 . . . . 10.0 111.664 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 1.4 p -64.85 -43.02 94.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.067 0.461 . . . . 10.0 110.057 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 359' ' ' THR . . . . . 0.579 HG21 ' HG3' ' D' ' 418' ' ' GLN . 4.3 p -71.24 -25.98 62.71 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.932 -0.576 . . . . 10.0 109.558 178.581 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 38.0 tp -69.77 -31.05 68.78 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 108.569 -0.9 . . . . 10.0 108.569 177.759 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 15.5 m -63.07 -32.43 73.8 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.839 -0.619 . . . . 10.0 109.975 178.493 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -68.55 -22.16 64.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.633 0.73 . . . . 10.0 109.358 179.129 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 363' ' ' LYS . . . . . 0.665 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 92.0 mttt -92.17 -40.77 10.82 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.469 -0.787 . . . . 10.0 109.124 178.656 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -67.64 -35.01 78.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.744 -0.662 . . . . 10.0 112.203 -179.379 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 365' ' ' LYS . . . . . 0.78 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 41.3 mtmt -105.94 -74.42 0.02 OUTLIER Pre-proline 0 C--N 1.327 -0.4 0 N-CA-C 113.497 0.925 . . . . 10.0 113.497 -179.708 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 366' ' ' PRO . . . . . 0.78 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 52.3 Cg_exo -54.66 -49.53 16.48 Favored 'Trans proline' 0 C--N 1.357 0.998 0 C-N-CA 122.324 2.016 . . . . 10.0 113.817 -179.14 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 367' ' ' ALA . . . . . 0.665 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -66.87 -56.95 8.05 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.262 0.468 . . . . 10.0 112.262 -179.479 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 368' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 368' ' ' LEU . 18.3 mt -55.81 -43.14 76.62 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 112.405 0.52 . . . . 10.0 112.405 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -60.69 -51.3 69.94 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.639 -0.504 . . . . 10.0 109.639 179.299 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.52 -39.35 90.7 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.979 -0.555 . . . . 10.0 111.325 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 71.7 mt -61.83 -49.07 77.77 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.961 -0.563 . . . . 10.0 109.9 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -64.24 -36.15 83.15 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.158 -0.473 . . . . 10.0 110.607 179.387 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -65.86 -19.19 65.79 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 121.062 0.458 . . . . 10.0 110.472 178.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -97.75 -32.4 6.26 Favored Glycine 0 N--CA 1.447 -0.609 0 N-CA-C 110.915 -0.874 . . . . 10.0 110.915 178.598 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 84.8 mt -68.84 -35.98 77.6 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 111.653 0.242 . . . . 10.0 111.653 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 20.5 mt -56.26 -59.23 12.52 Favored Pre-proline 0 N--CA 1.468 0.466 0 N-CA-C 112.987 0.736 . . . . 10.0 112.987 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -60.46 -32.82 94.22 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 121.918 1.746 . . . . 10.0 111.029 178.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 25.2 t -67.38 -40.12 84.05 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 N-CA-C 109.586 -0.524 . . . . 10.0 109.586 178.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 20.7 mt -62.54 -40.52 97.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.979 -0.555 . . . . 10.0 109.847 178.587 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 380' ' ' GLU . . . . . 0.494 ' O ' HG23 ' A' ' 384' ' ' VAL . 35.2 mm-40 -61.46 -43.33 99.05 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 109.323 -0.621 . . . . 10.0 109.323 178.381 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 12.3 m -64.65 -38.81 92.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.733 -0.667 . . . . 10.0 109.684 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -68.11 -35.77 78.67 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.809 -0.632 . . . . 10.0 110.586 178.795 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 383' ' ' LYS . . . . . 0.415 ' O ' ' HG ' ' A' ' 387' ' ' LEU . 87.9 mttt -59.5 -47.71 84.47 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 109.354 -0.61 . . . . 10.0 109.354 178.442 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 384' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 380' ' ' GLU . 34.7 t -60.71 -48.16 89.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.66 -0.7 . . . . 10.0 109.337 178.658 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 15.3 m -57.83 -41.3 82.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.732 -0.667 . . . . 10.0 110.852 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -64.24 -44.19 92.61 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.424 179.079 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 387' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 383' ' ' LYS . 94.8 mt -58.29 -50.41 73.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.479 -0.782 . . . . 10.0 110.775 -179.687 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 388' ' ' SER . . . . . 0.881 ' HB2' ' HG2' ' D' ' 594' ' ' LYS . 2.0 p -67.21 -38.26 84.99 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 116.21 -0.45 . . . . 10.0 111.475 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -63.2 -48.17 79.46 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 120.598 0.237 . . . . 10.0 110.9 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 54.8 mt -60.56 -43.29 97.44 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.247 -0.433 . . . . 10.0 109.935 179.547 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -61.86 -50.09 73.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.525 -0.761 . . . . 10.0 110.623 179.317 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 392' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' ' 388' ' ' SER . 49.5 mm-40 -54.45 -56.08 22.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.109 -0.496 . . . . 10.0 111.945 -179.527 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -57.21 -43.35 82.67 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.586 0.587 . . . . 10.0 112.586 -179.018 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 10.9 m -73.36 -29.74 62.85 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.467 0.543 . . . . 10.0 112.467 -179.398 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 41.1 mtmt -70.53 -36.63 73.83 Favored 'General case' 0 N--CA 1.464 0.228 0 O-C-N 122.272 -0.268 . . . . 10.0 111.705 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 3.3 mptt -87.71 -46.39 9.53 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.779 0.659 . . . . 10.0 112.779 -179.168 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 75.4 mt -76.55 -26.16 54.84 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.071 0.767 . . . . 10.0 113.071 -178.651 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 54.8 t30 . . . . . 0 C--N 1.327 -0.385 0 N-CA-C 112.08 0.4 . . . . 10.0 112.08 -178.959 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 2.9 mm? . . . . . 0 CA--C 1.523 -0.075 0 CA-C-O 121.517 0.675 . . . . 10.0 110.467 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -86.37 19.15 2.87 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.407 -0.815 . . . . 10.0 110.221 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 22.6 mt -61.59 -48.91 78.81 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.242 -0.89 . . . . 10.0 110.971 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 91.5 mt -66.95 -34.18 77.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.793 0.33 . . . . 10.0 111.126 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -62.33 -49.96 73.54 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.568 -0.53 . . . . 10.0 109.568 179.07 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -68.74 -40.95 79.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.424 -0.807 . . . . 10.0 110.235 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 12.6 t90 -55.57 -42.23 74.41 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.672 -0.695 . . . . 10.0 110.427 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -61.07 -50.29 73.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.052 -0.522 . . . . 10.0 111.161 179.484 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 19.6 m -60.53 -41.39 94.37 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.463 -0.335 . . . . 10.0 111.187 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 88.5 t -65.26 -45.8 92.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.814 0.34 . . . . 10.0 110.377 179.385 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 409' ' ' THR . . . . . 0.536 ' HA ' ' HD2' ' D' ' 412' ' ' PHE . 20.5 m -64.25 -34.25 77.68 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.914 -0.402 . . . . 10.0 109.914 179.065 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 68.7 m -67.62 -27.22 66.71 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.466 -0.568 . . . . 10.0 109.466 178.263 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 24.1 m -69.72 -35.81 75.35 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.385 -0.969 . . . . 10.0 108.385 177.795 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 412' ' ' PHE . . . . . 0.536 ' HD2' ' HA ' ' D' ' 409' ' ' THR . 25.7 m-85 -66.26 -35.93 81.68 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 108.929 -0.767 . . . . 10.0 108.929 178.145 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 3.4 m -64.3 -38.78 92.26 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 108.608 -0.886 . . . . 10.0 108.608 177.533 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 414' ' ' LYS . . . . . 0.422 ' HD3' ' HA ' ' D' ' 414' ' ' LYS . 47.0 mmtt -64.58 -34.19 77.68 Favored 'General case' 0 CA--C 1.522 -0.117 0 CA-C-N 115.912 -0.585 . . . . 10.0 109.474 178.614 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 415' ' ' LEU . . . . . 0.471 ' O ' ' HG ' ' D' ' 419' ' ' LEU . 76.4 mt -65.98 -39.57 90.47 Favored 'General case' 0 N--CA 1.453 -0.325 0 N-CA-C 108.913 -0.773 . . . . 10.0 108.913 178.447 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 36.4 mtt180 -69.26 -34.15 74.33 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.72 -0.673 . . . . 10.0 110.136 178.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -62.41 -29.65 70.65 Favored 'General case' 0 C--O 1.227 -0.103 0 N-CA-C 109.306 -0.627 . . . . 10.0 109.306 177.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 418' ' ' GLN . . . . . 0.579 ' HG3' HG21 ' A' ' 359' ' ' THR . 35.0 mt-30 -83.45 -52.96 6.06 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.734 -0.839 . . . . 10.0 108.734 178.568 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 419' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' D' ' 415' ' ' LEU . 87.5 mt -44.81 -47.94 10.98 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 115.28 -0.873 . . . . 10.0 112.87 -179.019 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -50.41 -79.16 0.08 OUTLIER Glycine 0 CA--C 1.523 0.535 0 C-N-CA 121.126 -0.559 . . . . 10.0 113.326 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -57.3 -39.84 86.8 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.872 2.381 . . . . 10.0 112.649 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 37.2 t -60.02 -50.68 79.23 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.198 0 N-CA-C 112.434 0.531 . . . . 10.0 112.434 -179.151 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 423' ' ' THR . . . . . 0.555 ' HA ' ' HB3' ' D' ' 426' ' ' PHE . 59.9 p -65.98 -30.49 71.05 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 120.51 -0.476 . . . . 10.0 111.74 -179.567 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -59.84 -45.32 92.79 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 120.963 0.411 . . . . 10.0 110.293 179.115 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -86.62 -21.67 26.63 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.791 178.595 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 426' ' ' PHE . . . . . 0.555 ' HB3' ' HA ' ' D' ' 423' ' ' THR . 49.7 t80 -64.81 -41.36 95.84 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.58 -0.896 . . . . 10.0 108.58 178.368 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 21.1 m0 -69.73 -37.3 76.45 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.792 -0.818 . . . . 10.0 108.792 178.518 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 428' ' ' ASP . . . . . 0.474 ' O ' ' HB2' ' D' ' 432' ' ' LYS . 32.2 t70 -63.41 -38.89 92.91 Favored 'General case' 0 CA--C 1.519 -0.227 0 N-CA-C 108.683 -0.858 . . . . 10.0 108.683 178.259 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 429' ' ' ASN . . . . . 0.431 ' HB2' ' OE1' ' A' ' 348' ' ' GLU . 4.8 t30 -66.56 -48.34 69.96 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.327 -0.851 . . . . 10.0 109.197 178.097 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 58.0 mt -56.18 -50.54 70.9 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.395 179.466 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -59.48 -44.38 93.05 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.077 -0.511 . . . . 10.0 109.819 179.145 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 432' ' ' LYS . . . . . 0.511 ' HZ2' ' HB2' ' D' ' 432' ' ' LYS . 0.8 OUTLIER -58.15 -46.73 85.15 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.806 -0.634 . . . . 10.0 110.229 178.938 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -60.9 -53.7 54.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.45 -0.795 . . . . 10.0 110.47 179.379 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 6.0 p -59.22 -38.8 80.82 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-N 116.475 -0.33 . . . . 10.0 111.591 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -65.5 -43.89 88.74 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 116.821 -0.172 . . . . 10.0 110.837 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -67.16 -39.64 92.58 Favored Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 110.611 -0.996 . . . . 10.0 110.611 178.561 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 437' ' ' LEU . . . . . 0.459 ' O ' ' HG3' ' D' ' 440' ' ' GLU . 94.0 mt -68.62 -28.17 66.67 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-O 120.738 0.304 . . . . 10.0 110.942 179.174 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 43.9 mtt180 -66.91 -25.13 66.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.575 -0.284 . . . . 10.0 111.189 179.339 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -70.84 -48.06 55.99 Favored 'General case' 0 C--O 1.232 0.169 0 N-CA-C 109.559 -0.534 . . . . 10.0 109.559 178.789 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 440' ' ' GLU . . . . . 0.567 ' O ' ' HB2' ' D' ' 444' ' ' ASP . 0.0 OUTLIER -73.98 -26.11 60.28 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.242 178.908 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' D' D ' 441' ' ' MET . . . . . 0.416 ' HB2' ' O ' ' D' ' 437' ' ' LEU . 5.8 mmm -71.22 -44.6 65.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.914 -0.585 . . . . 10.0 111.8 179.625 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 10.8 p -61.91 -45.34 94.16 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.32 -0.622 . . . . 10.0 109.32 179.367 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 4.3 mtpp -65.35 -39.47 92.38 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.472 -0.786 . . . . 10.0 109.994 178.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 444' ' ' ASP . . . . . 0.567 ' HB2' ' O ' ' D' ' 440' ' ' GLU . 3.0 t70 -61.0 -51.96 67.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.399 179.605 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 73.6 mt -60.18 -50.3 74.23 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.28 0.474 . . . . 10.0 112.28 -179.609 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -63.98 -41.03 97.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.644 0.259 . . . . 10.0 111.166 -179.453 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 447' ' ' GLU . . . . . 0.43 ' CB ' HH21 ' A' ' 330' ' ' ARG . 20.2 mt-10 -66.11 -38.02 87.17 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 109.755 -0.461 . . . . 10.0 109.755 178.635 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 2.3 t -58.31 -44.3 87.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.014 -0.539 . . . . 10.0 109.608 178.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -65.81 -31.06 71.81 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.068 -0.515 . . . . 10.0 110.885 179.504 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -89.72 -8.22 52.81 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.609 0.596 . . . . 10.0 112.609 -179.157 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 451' ' ' LYS . . . . . 0.465 ' O ' ' HB2' ' D' ' 455' ' ' TYR . 54.2 mttm -114.02 -44.61 3.13 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.042 0.386 . . . . 10.0 112.042 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 55.9 t -62.63 -38.91 82.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.496 -0.32 . . . . 10.0 111.155 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -58.8 -60.16 11.35 Favored Pre-proline 0 C--N 1.33 -0.262 0 N-CA-C 112.485 0.55 . . . . 10.0 112.485 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -63.85 -25.7 67.6 Favored 'Trans proline' 0 C--N 1.353 0.814 0 C-N-CA 121.965 1.777 . . . . 10.0 111.435 178.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 455' ' ' TYR . . . . . 0.465 ' HB2' ' O ' ' D' ' 451' ' ' LYS . 1.5 t80 -72.59 -40.02 66.89 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.027 -0.731 . . . . 10.0 109.027 178.852 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 34.2 mt -66.99 -35.5 80.09 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 109.083 -0.71 . . . . 10.0 109.083 178.307 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -69.7 -41.62 75.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.374 -0.83 . . . . 10.0 109.339 178.602 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -62.4 -44.62 96.02 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 108.544 -0.909 . . . . 10.0 108.544 177.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 459' ' ' PHE . . . . . 0.45 ' HD2' ' HA ' ' D' ' 459' ' ' PHE . 1.2 m-30 -64.7 -40.84 96.06 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.322 -0.854 . . . . 10.0 109.966 178.147 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 460' ' ' GLN . . . . . 0.508 ' O ' ' HB2' ' D' ' 464' ' ' GLN . 6.3 mt-30 -58.45 -40.61 83.09 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.317 179.231 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 461' ' ' LYS . . . . . 0.406 ' O ' ' HG3' ' D' ' 465' ' ' GLU . 51.9 mttt -68.42 -42.89 78.27 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.302 179.17 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 462' ' ' LYS . . . . . 0.47 ' HE3' ' HG ' ' A' ' 316' ' ' LEU . 2.1 ttmm -65.44 -45.34 84.2 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.892 -0.595 . . . . 10.0 110.345 179.705 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 50.1 m0 -68.45 -30.1 68.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.019 178.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 464' ' ' GLN . . . . . 0.508 ' HB2' ' O ' ' D' ' 460' ' ' GLN . 44.2 tt0 -65.73 -49.12 69.61 Favored 'General case' 0 CA--C 1.514 -0.419 0 N-CA-C 108.272 -1.01 . . . . 10.0 108.272 178.27 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 465' ' ' GLU . . . . . 0.734 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 77.5 mt-10 -61.89 -44.95 95.76 Favored 'General case' 0 C--O 1.223 -0.342 0 N-CA-C 108.449 -0.945 . . . . 10.0 108.449 177.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 31.1 tp10 -54.26 -47.84 71.84 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.478 -0.783 . . . . 10.0 110.196 179.398 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 66.9 mtm -65.72 -42.7 90.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.048 -0.524 . . . . 10.0 110.398 179.456 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -61.84 -38.27 87.58 Favored 'General case' 0 C--N 1.334 -0.075 0 N-CA-C 109.487 -0.56 . . . . 10.0 109.487 178.328 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 469' ' ' LEU . . . . . 0.734 ' HG ' ' O ' ' D' ' 465' ' ' GLU . 77.2 mt -61.25 -40.51 94.34 Favored 'General case' 0 C--O 1.218 -0.574 0 N-CA-C 109.351 -0.611 . . . . 10.0 109.351 178.369 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 23.4 m-30 -65.17 -32.06 73.56 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.588 179.478 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 471' ' ' ARG . . . . . 0.477 ' HA ' ' HG3' ' D' ' 475' ' ' GLU . 99.4 mtt180 -71.98 -27.22 62.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 10.0 110.011 178.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -103.39 4.66 36.48 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.01 -0.541 . . . . 10.0 111.294 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 473' ' ' LYS . . . . . 0.77 ' HG2' HD13 ' A' ' 301' ' ' LEU . 82.3 mttt -131.57 -73.29 0.53 Allowed 'General case' 0 C--O 1.221 -0.402 0 CA-C-N 116.473 -0.331 . . . . 10.0 110.681 179.421 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 474' ' ' VAL . . . . . 0.529 ' O ' ' HB2' ' D' ' 478' ' ' ARG . 95.5 t -52.07 -44.55 39.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.445 -0.343 . . . . 10.0 111.736 -179.627 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 475' ' ' GLU . . . . . 0.477 ' HG3' ' HA ' ' D' ' 471' ' ' ARG . 4.8 mm-40 -59.68 -61.53 7.7 Favored Pre-proline 0 CA--C 1.537 0.468 0 N-CA-C 112.786 0.661 . . . . 10.0 112.786 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -64.23 -36.23 47.56 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 121.592 1.528 . . . . 10.0 112.049 178.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 65.4 mt -65.67 -37.1 85.56 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 110.103 -0.332 . . . . 10.0 110.103 179.081 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 478' ' ' ARG . . . . . 0.529 ' HB2' ' O ' ' D' ' 474' ' ' VAL . 1.2 ttt180 -63.32 -33.18 74.96 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 109.573 -0.528 . . . . 10.0 109.573 178.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -74.02 -46.59 42.56 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.868 -0.605 . . . . 10.0 109.485 179.004 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.79 -44.46 96.79 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.4 0.619 . . . . 10.0 109.772 178.71 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 63.4 mt -68.13 -33.34 74.31 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.656 -0.702 . . . . 10.0 110.46 179.268 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -67.5 -45.42 75.86 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.319 -0.623 . . . . 10.0 109.319 178.651 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -64.88 -44.18 90.51 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.805 -0.634 . . . . 10.0 109.382 178.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -64.54 -34.33 89.61 Favored Glycine 0 N--CA 1.45 -0.425 0 N-CA-C 111.212 -0.755 . . . . 10.0 111.212 178.441 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -68.73 -39.5 80.37 Favored 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 109.291 -0.633 . . . . 10.0 109.291 178.329 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 83.8 mtt180 -63.65 -36.84 85.17 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 108.883 -0.784 . . . . 10.0 108.883 178.627 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -67.43 -43.41 81.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.481 -0.781 . . . . 10.0 108.935 177.673 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 488' ' ' LYS . . . . . 0.407 ' O ' ' HG ' ' D' ' 492' ' ' LEU . 84.0 tttt -62.96 -39.79 95.73 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.805 -0.634 . . . . 10.0 109.597 178.858 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 84.2 mt -66.16 -38.34 87.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.702 -0.681 . . . . 10.0 109.266 178.725 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 9.0 t-160 -63.38 -42.85 98.86 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 108.775 -0.824 . . . . 10.0 108.775 178.635 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -58.79 -44.52 90.73 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 108.841 -0.8 . . . . 10.0 108.841 178.109 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 492' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' D' ' 488' ' ' LYS . 92.0 mt -64.59 -42.91 95.28 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.31 -0.859 . . . . 10.0 110.66 179.633 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -59.95 -38.62 83.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.002 0.43 . . . . 10.0 110.827 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 -75.27 -0.98 21.41 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 115.88 -0.6 . . . . 10.0 111.189 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 495' ' ' LYS . . . . . 0.592 ' O ' ' HB2' ' D' ' 499' ' ' LEU . 18.9 mttp -116.7 -43.17 2.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.761 0.315 . . . . 10.0 110.724 179.018 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 496' ' ' LEU . . . . . 0.552 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 78.1 mt -65.04 -20.07 66.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.257 -0.428 . . . . 10.0 111.601 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 497' ' ' SER . . . . . 0.541 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 7.9 m -83.28 -67.08 0.2 Allowed Pre-proline 0 C--N 1.326 -0.429 0 N-CA-C 111.847 0.314 . . . . 10.0 111.847 179.001 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 498' ' ' PRO . . . . . 0.541 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 36.6 Cg_endo -65.57 -51.01 1.53 Allowed 'Trans proline' 0 C--N 1.357 1.002 0 C-N-CA 121.6 1.533 . . . . 10.0 112.136 179.74 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 499' ' ' LEU . . . . . 0.592 ' HB2' ' O ' ' D' ' 495' ' ' LYS . 58.1 mt -70.05 -28.85 65.8 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 109.9 -0.408 . . . . 10.0 109.9 179.513 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 500' ' ' GLY . . . . . 0.552 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -65.21 -53.1 35.09 Favored Glycine 0 N--CA 1.445 -0.749 0 N-CA-C 110.53 -1.028 . . . . 10.0 110.53 178.746 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -63.9 -35.77 81.74 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.899 -0.408 . . . . 10.0 109.899 179.024 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 502' ' ' GLU . . . . . 0.502 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 27.9 tt0 -63.74 -47.16 82.16 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.787 -0.642 . . . . 10.0 109.69 178.403 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 503' ' ' MET . . . . . 0.511 ' HA ' ' HD2' ' D' ' 506' ' ' ARG . 79.2 mmm -62.51 -37.02 84.42 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 178.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 504' ' ' ARG . . . . . 0.507 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 77.3 mtt180 -66.16 -42.5 88.91 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.243 -0.651 . . . . 10.0 109.243 178.698 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -66.89 -37.52 84.53 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.87 -0.605 . . . . 10.0 109.87 179.164 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 506' ' ' ARG . . . . . 0.511 ' HD2' ' HA ' ' D' ' 503' ' ' MET . 60.6 mtt180 -59.82 -48.12 82.98 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 107.871 -1.159 . . . . 10.0 107.871 177.578 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -63.72 -35.73 81.53 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.027 -0.988 . . . . 10.0 110.243 179.233 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 508' ' ' ARG . . . . . 0.513 ' O ' ' HB2' ' D' ' 512' ' ' ASP . 48.6 mtt180 -61.3 -48.89 79.31 Favored 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 108.693 -0.854 . . . . 10.0 108.693 178.537 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -64.69 -37.08 86.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.413 179.646 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 510' ' ' HIS . . . . . 0.443 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 4.0 m-70 -62.66 -53.73 50.08 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.377 179.039 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 62.0 t -66.79 -35.16 74.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.688 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 512' ' ' ASP . . . . . 0.513 ' HB2' ' O ' ' D' ' 508' ' ' ARG . 8.0 t0 -60.66 -44.0 96.95 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.194 -0.669 . . . . 10.0 109.194 178.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -70.63 -43.45 69.24 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.351 -0.841 . . . . 10.0 109.66 178.616 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 514' ' ' LEU . . . . . 0.603 ' HA ' ' HB2' ' D' ' 517' ' ' HIS . 74.1 mt -59.03 -34.5 71.98 Favored 'General case' 0 C--O 1.225 -0.191 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.375 179.568 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 515' ' ' ARG . . . . . . . . . . . . . 6.3 mtm105 -66.88 -20.77 65.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.402 0.62 . . . . 10.0 110.135 178.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.89 11.33 22.34 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.631 -0.713 . . . . 10.0 109.29 179.037 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 517' ' ' HIS . . . . . 0.603 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 17.5 m170 -118.67 -59.6 1.85 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.415 -0.811 . . . . 10.0 110.181 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 69.0 mt -72.93 -50.57 22.79 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.748 -0.66 . . . . 10.0 111.977 -178.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 519' ' ' ALA . . . . . 0.689 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -54.81 -57.46 19.15 Favored Pre-proline 0 C--N 1.329 -0.293 0 N-CA-C 112.156 0.428 . . . . 10.0 112.156 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 520' ' ' PRO . . . . . 0.689 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 53.2 Cg_exo -60.23 -33.63 94.6 Favored 'Trans proline' 0 C--N 1.357 1.002 0 C-N-CA 122.115 1.877 . . . . 10.0 111.456 178.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 521' ' ' TYR . . . . . 0.535 ' HA ' ' OE1' ' D' ' 524' ' ' GLU . 14.2 t80 -70.6 -36.11 73.35 Favored 'General case' 0 CA--C 1.518 -0.262 0 C-N-CA 120.783 -0.367 . . . . 10.0 110.202 179.464 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 49.2 m -65.97 -30.12 70.63 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.137 -0.69 . . . . 10.0 109.137 178.555 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.24 -41.41 90.04 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.648 -0.871 . . . . 10.0 108.648 178.392 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 524' ' ' GLU . . . . . 0.535 ' OE1' ' HA ' ' D' ' 521' ' ' TYR . 5.6 mt-10 -72.58 -33.46 66.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.44 -0.8 . . . . 10.0 109.386 178.302 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 53.9 mt -65.6 -33.97 77.14 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 115.587 -0.733 . . . . 10.0 109.224 177.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 526' ' ' ARG . . . . . . . . . . . . . 52.4 mtt180 -62.87 -33.8 76.03 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.311 178.782 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -70.56 -43.94 68.44 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.106 -0.701 . . . . 10.0 109.106 178.786 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 528' ' ' ARG . . . . . 0.617 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 62.2 mtt180 -65.7 -40.09 91.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.529 -0.76 . . . . 10.0 109.507 179.04 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 23.0 mt -65.62 -38.84 90.57 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.631 -0.713 . . . . 10.0 109.858 178.339 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -60.94 -45.42 94.77 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.802 -0.444 . . . . 10.0 109.802 179.071 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -68.19 -42.68 79.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.963 -0.562 . . . . 10.0 109.957 178.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 34.7 ttm180 -60.4 -49.37 77.86 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.746 -0.661 . . . . 10.0 109.986 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 82.9 mt -65.32 -36.81 85.2 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.388 179.39 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -59.48 -47.36 85.81 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.889 -0.782 . . . . 10.0 108.889 179.041 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -65.89 -45.6 81.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.691 -0.686 . . . . 10.0 110.509 178.809 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 69.3 mt -59.64 -40.32 87.27 Favored 'General case' 0 C--O 1.226 -0.152 0 CA-C-N 116.372 -0.376 . . . . 10.0 111.529 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 537' ' ' LYS . . . . . 0.431 ' HB2' ' HE3' ' D' ' 537' ' ' LYS . 19.1 mtmt -72.57 -39.36 67.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.759 0.314 . . . . 10.0 110.406 179.147 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -64.96 -54.45 30.35 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.497 179.692 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -67.94 -33.1 74.03 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.438 -0.578 . . . . 10.0 109.438 179.433 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 540' ' ' GLY . . . . . 0.466 ' O ' ' HG ' ' D' ' 544' ' ' LEU . . . -63.27 -45.79 94.4 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 111.33 -0.708 . . . . 10.0 111.33 179.292 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -60.01 -42.46 98.38 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.671 -0.776 . . . . 10.0 111.194 179.055 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -66.75 -49.72 65.04 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.733 -0.469 . . . . 10.0 109.733 178.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 543' ' ' ARG . . . . . 0.443 ' O ' ' HB2' ' D' ' 547' ' ' TYR . 49.2 mtt85 -58.05 -37.24 74.04 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.922 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 544' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' D' ' 540' ' ' GLY . 74.2 mt -62.29 -47.44 84.28 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.937 -0.394 . . . . 10.0 109.937 178.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -63.27 -43.71 97.18 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.869 -0.605 . . . . 10.0 109.728 179.204 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -63.75 -46.67 84.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.396 179.019 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 547' ' ' TYR . . . . . 0.443 ' HB2' ' O ' ' D' ' 543' ' ' ARG . 0.9 OUTLIER -60.16 -43.97 95.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.453 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -64.24 -42.88 96.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.94 -0.573 . . . . 10.0 109.782 178.714 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -61.52 -47.78 84.02 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.579 -0.526 . . . . 10.0 109.579 178.795 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.17 -37.16 84.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.787 -0.642 . . . . 10.0 109.86 179.029 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -66.73 -34.3 77.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.193 178.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 5.7 m -69.5 -39.2 77.76 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.352 -0.61 . . . . 10.0 109.352 178.555 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -68.01 -43.63 78.39 Favored 'General case' 0 C--O 1.231 0.128 0 N-CA-C 108.391 -0.966 . . . . 10.0 108.391 177.662 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 554' ' ' HIS . . . . . 0.585 ' O ' ' HG ' ' D' ' 558' ' ' LEU . 15.8 t60 -60.9 -39.26 88.65 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.08 -0.964 . . . . 10.0 109.097 179.15 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 555' ' ' LEU . . . . . 0.618 ' HA ' HD12 ' D' ' 558' ' ' LEU . 42.4 tp -62.57 -41.32 98.85 Favored 'General case' 0 CA--C 1.521 -0.138 0 CA-C-N 115.55 -0.75 . . . . 10.0 109.934 178.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 68.8 m -63.16 -43.28 98.75 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.275 -0.639 . . . . 10.0 109.275 178.352 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 6.3 m -64.2 -38.26 90.41 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.983 -0.553 . . . . 10.0 109.533 178.383 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 558' ' ' LEU . . . . . 0.618 HD12 ' HA ' ' D' ' 555' ' ' LEU . 92.4 mt -58.29 -53.36 59.13 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 115.896 -0.593 . . . . 10.0 109.96 179.121 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.86 -39.51 83.75 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 123.226 0.329 . . . . 10.0 110.898 -179.705 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -59.96 -30.1 68.87 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 115.757 -0.656 . . . . 10.0 111.381 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.16 -37.44 9.31 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 111.72 0.267 . . . . 10.0 111.72 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -62.75 -42.9 99.89 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 112.714 0.635 . . . . 10.0 112.714 -179.059 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -54.61 -61.36 5.78 Favored Pre-proline 0 C--O 1.236 0.39 0 N-CA-C 112.136 0.421 . . . . 10.0 112.136 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -64.64 -35.27 48.05 Favored 'Trans proline' 0 C--N 1.358 1.047 0 C-N-CA 121.854 1.703 . . . . 10.0 111.88 179.194 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -62.2 -50.92 69.86 Favored 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 110.145 -0.317 . . . . 10.0 110.145 179.497 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 81.0 mt -63.32 -40.68 98.01 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 110.022 -0.362 . . . . 10.0 110.022 179.194 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.87 -53.38 58.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.14 0.495 . . . . 10.0 110.049 178.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -65.19 -35.99 82.8 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.715 -0.675 . . . . 10.0 111.084 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 11.3 mt -61.72 -46.35 90.01 Favored 'General case' 0 C--O 1.221 -0.42 0 N-CA-C 109.402 -0.592 . . . . 10.0 109.402 178.589 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 570' ' ' ARG . . . . . 0.461 ' O ' ' HG ' ' D' ' 574' ' ' LEU . 64.9 mtt180 -65.64 -43.32 89.82 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.472 179.433 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -70.82 -15.38 62.65 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.38 -0.373 . . . . 10.0 111.092 179.445 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -98.19 -38.71 3.96 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.854 -0.689 . . . . 10.0 111.664 179.619 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 65.0 mt -65.53 -34.42 78.21 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.017 -0.091 . . . . 10.0 111.179 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 574' ' ' LEU . . . . . 0.527 ' O ' ' HG2' ' D' ' 578' ' ' GLU . 76.7 mt -54.68 -63.23 3.03 Favored Pre-proline 0 CA--C 1.535 0.388 0 N-CA-C 112.14 0.422 . . . . 10.0 112.14 179.534 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -62.49 -35.05 73.69 Favored 'Trans proline' 0 C--N 1.356 0.939 0 C-N-CA 121.677 1.585 . . . . 10.0 111.476 179.556 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 20.7 t -63.28 -45.97 96.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.442 -0.344 . . . . 10.0 110.274 179.548 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 577' ' ' LEU . . . . . 0.423 ' O ' ' HG3' ' D' ' 581' ' ' LYS . 55.5 mt -62.37 -42.02 99.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.517 -0.31 . . . . 10.0 110.208 179.27 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 578' ' ' GLU . . . . . 0.527 ' HG2' ' O ' ' D' ' 574' ' ' LEU . 8.3 mm-40 -62.86 -44.7 95.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 10.0 109.817 179.074 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 45.2 m -63.64 -39.89 95.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.895 -0.593 . . . . 10.0 109.813 178.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -63.83 -35.82 81.87 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 115.826 -0.625 . . . . 10.0 110.625 179.02 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 581' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' D' ' 577' ' ' LEU . 90.8 mttt -65.26 -40.91 94.57 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.728 -0.471 . . . . 10.0 109.728 178.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 90.7 t -61.34 -43.18 96.14 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.292 179.387 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.84 -39.56 69.67 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.126 179.754 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -67.53 -45.93 74.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.696 -0.229 . . . . 10.0 111.156 179.504 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 13.0 mt -57.04 -46.23 82.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.464 -0.335 . . . . 10.0 110.649 179.513 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 8.7 p -69.97 -38.61 76.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.219 -0.446 . . . . 10.0 111.13 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -63.94 -55.66 20.92 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.342 -0.39 . . . . 10.0 110.613 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 88.0 mt -60.53 -38.11 83.37 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 123.238 0.336 . . . . 10.0 111.84 -179.324 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -66.4 -54.48 23.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.955 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -64.65 -32.88 74.73 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.103 -0.498 . . . . 10.0 111.755 -179.585 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -63.99 -41.25 97.56 Favored 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 109.745 -0.465 . . . . 10.0 109.745 178.463 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 46.5 m -67.27 -29.34 68.92 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.192 0.52 . . . . 10.0 110.23 179.482 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -74.33 -48.38 28.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.977 -0.556 . . . . 10.0 111.256 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 594' ' ' LYS . . . . . 0.881 ' HG2' ' HB2' ' A' ' 388' ' ' SER . 10.6 mptt -73.85 -34.23 64.42 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.254 -0.43 . . . . 10.0 111.941 -179.186 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 36.4 mt -106.25 54.65 0.68 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.041 0.448 . . . . 10.0 110.298 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 . . . . . 0 C--N 1.323 -0.583 0 CA-C-N 115.98 -0.555 . . . . 10.0 111.24 -179.661 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 2.3 m . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.864 0.364 . . . . 10.0 110.38 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 2' ' ' THR . . . . . 0.543 ' HB ' ' CE2' ' B' ' 4' ' ' TYR . 0.3 OUTLIER -94.42 124.29 38.35 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.523 -0.308 . . . . 10.0 110.785 -179.652 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -89.99 138.76 31.23 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.015 -0.735 . . . . 10.0 109.015 178.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 4' ' ' TYR . . . . . 0.543 ' CE2' ' HB ' ' B' ' 2' ' ' THR . 98.4 m-85 -129.36 117.71 21.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 123.239 0.337 . . . . 10.0 110.595 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.499 ' HA ' ' HB3' ' B' ' 54' ' ' ASP . 31.8 mttm -81.95 106.9 14.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.114 0.483 . . . . 10.0 110.879 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.525 ' O ' ' HA ' ' B' ' 55' ' ' ILE . 12.4 mt -110.11 121.84 46.2 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.634 -0.712 . . . . 10.0 110.621 -179.345 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 49.0 t -109.81 124.77 66.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 120.715 0.293 . . . . 10.0 110.564 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.63 HG12 ' HD2' ' B' ' 16' ' ' LYS . 22.4 t -88.29 121.22 38.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.141 -0.689 . . . . 10.0 109.141 179.508 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 31.7 m -122.52 156.77 27.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.292 -0.413 . . . . 10.0 111.176 -178.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 147.59 177.43 22.02 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.854 -0.688 . . . . 10.0 112.039 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.81 -175.21 0.85 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.392 0.615 . . . . 10.0 112.054 -179.339 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -92.19 146.69 23.52 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.85 -0.614 . . . . 10.0 111.649 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 65.51 25.64 71.53 Favored Glycine 0 CA--C 1.523 0.565 0 CA-C-N 115.497 -0.774 . . . . 10.0 113.953 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 27.8 m -95.27 -22.16 5.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 117.338 0.569 . . . . 10.0 112.067 -179.637 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' GLY . . . . . 0.591 ' HA3' HD22 ' B' ' 116' ' ' ASN . . . 121.28 13.64 5.25 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.838 -0.696 . . . . 10.0 113.197 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 16' ' ' LYS . . . . . 0.63 ' HD2' HG12 ' B' ' 8' ' ' VAL . 24.3 mtmm -59.95 -47.32 86.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.082 0.468 . . . . 10.0 111.182 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.24 -39.41 68.49 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.015 -179.741 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.61 -55.18 37.68 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.942 -0.572 . . . . 10.0 112.177 -179.299 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.526 HD23 ' HB2' ' B' ' 146' ' ' ALA . 38.5 mt -57.97 -47.88 81.64 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.015 0.376 . . . . 10.0 112.015 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 19.4 m -61.68 -47.16 86.59 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.62 -179.538 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 87.6 mt -65.21 -32.36 57.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.813 0.34 . . . . 10.0 110.83 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 22' ' ' GLN . . . . . 0.721 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 0.4 OUTLIER -66.12 -32.69 74.29 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-O 121.052 0.454 . . . . 10.0 110.508 179.081 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 13.4 tp -77.95 -31.73 51.05 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.786 -0.366 . . . . 10.0 111.303 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 34.8 mm -89.6 -61.39 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 112.786 0.661 . . . . 10.0 112.786 -178.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' GLN . . . . . 0.518 ' HB2' ' HD2' ' B' ' 27' ' ' HIS . 53.2 mt-30 -85.12 -13.94 48.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.758 0.313 . . . . 10.0 111.799 -178.601 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 26' ' ' ASN . . . . . 0.721 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 1.1 t-20 60.79 45.69 9.67 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 112.935 0.717 . . . . 10.0 112.935 178.855 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 27' ' ' HIS . . . . . 0.518 ' HD2' ' HB2' ' B' ' 25' ' ' GLN . 2.1 p80 -150.5 157.88 43.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.54 -0.3 . . . . 10.0 110.942 179.478 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -91.94 120.84 32.98 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.619 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.402 HG22 ' H ' ' B' ' 29' ' ' VAL . 0.8 OUTLIER -84.26 122.89 38.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.425 -0.352 . . . . 10.0 110.285 179.392 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -86.83 -33.35 19.87 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.345 -179.405 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -84.93 148.53 26.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.28 -0.418 . . . . 10.0 110.076 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -93.36 127.34 38.93 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.904 0.383 . . . . 10.0 110.581 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' ASP . . . . . 0.42 ' HA ' ' HD3' ' B' ' 34' ' ' PRO . 16.2 t70 -119.78 111.55 35.86 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.393 -0.367 . . . . 10.0 111.149 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 34' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' B' ' 33' ' ' ASP . 24.8 Cg_exo -65.54 107.63 1.07 Allowed 'Trans proline' 0 N--CA 1.463 -0.272 0 C-N-CA 122.718 2.278 . . . . 10.0 109.648 178.698 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 1.3 m -84.46 135.91 34.06 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.333 -0.394 . . . . 10.0 111.861 -178.614 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 20.9 mm -95.38 -52.74 9.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 107.652 -1.24 . . . . 10.0 107.652 178.294 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -174.66 95.73 0.08 Allowed 'General case' 0 C--O 1.234 0.255 0 CA-C-N 114.7 -1.136 . . . . 10.0 108.979 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -114.45 148.76 37.3 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.655 -0.248 . . . . 10.0 110.502 -178.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -129.23 135.58 48.99 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.827 0.346 . . . . 10.0 111.638 -179.251 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -130.61 138.29 50.04 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.231 -0.44 . . . . 10.0 111.148 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.455 ' HA ' ' O ' ' B' ' 53' ' ' LEU . 0.9 OUTLIER -116.51 134.7 54.54 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.236 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 56.5 tttp -149.6 126.14 10.94 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.169 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -95.98 121.16 37.43 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.839 -0.619 . . . . 10.0 109.517 179.236 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -137.25 161.75 34.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.848 0.356 . . . . 10.0 110.852 -179.288 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 15.8 t -99.94 96.68 5.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.242 179.672 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 68.2 mt -104.14 123.99 58.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.556 -0.747 . . . . 10.0 110.58 -178.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 47' ' ' ASP . . . . . 0.771 ' HA ' ' HG3' ' C' ' 128' ' ' LYS . 31.6 m-20 59.93 20.63 9.63 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.865 -0.607 . . . . 10.0 112.072 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.89 0.17 66.54 Favored Glycine 0 N--CA 1.454 -0.158 0 C-N-CA 121.022 -0.609 . . . . 10.0 112.644 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -108.77 136.99 47.43 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.661 0.267 . . . . 10.0 110.807 -179.391 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 1.8 m -79.85 103.39 9.72 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.341 -0.985 . . . . 10.0 108.341 178.736 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 15.2 m -108.09 135.46 49.41 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 112.256 0.465 . . . . 10.0 112.256 -178.473 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 41.4 tp -99.72 108.32 20.62 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 107.651 -1.241 . . . . 10.0 107.651 178.297 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 53' ' ' LEU . . . . . 0.472 HD22 HD11 ' B' ' 6' ' ' LEU . 26.5 mt -82.58 124.41 30.12 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.89 0.7 . . . . 10.0 112.89 -177.754 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 54' ' ' ASP . . . . . 0.499 ' HB3' ' HA ' ' B' ' 5' ' ' LYS . 33.1 t70 -108.43 85.7 2.16 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 106.902 -1.518 . . . . 10.0 106.902 177.765 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 55' ' ' ILE . . . . . 0.525 ' HA ' ' O ' ' B' ' 6' ' ' LEU . 19.5 mt -92.2 139.09 18.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 113.131 0.789 . . . . 10.0 113.131 -177.095 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 16.3 tp -125.5 117.85 24.52 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.297 -0.865 . . . . 10.0 110.096 178.478 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -93.78 110.92 22.54 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 108.899 -0.778 . . . . 10.0 108.899 179.372 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 69.9 p -90.64 -173.25 3.68 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.572 0.582 . . . . 10.0 112.572 -178.496 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -99.82 155.3 17.72 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.854 -0.612 . . . . 10.0 111.215 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -115.85 11.78 17.94 Favored Glycine 0 N--CA 1.444 -0.816 0 N-CA-C 111.158 -0.777 . . . . 10.0 111.158 179.161 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -89.17 7.89 32.92 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.529 -0.336 . . . . 10.0 111.222 -179.179 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.402 ' HB3' ' H ' ' B' ' 63' ' ' GLU . 13.9 mm-40 59.81 -139.0 0.67 Allowed 'General case' 0 C--N 1.331 -0.236 0 O-C-N 123.571 0.545 . . . . 10.0 111.141 -179.21 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 63' ' ' GLU . . . . . 0.402 ' H ' ' HB3' ' B' ' 62' ' ' GLU . 2.3 tm-20 73.51 -37.58 0.38 Allowed 'General case' 0 N--CA 1.467 0.394 0 O-C-N 123.401 0.438 . . . . 10.0 111.678 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -78.78 73.59 5.33 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.129 0.49 . . . . 10.0 111.623 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.61 -15.4 52.31 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.082 -0.508 . . . . 10.0 111.038 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -120.49 -33.18 3.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.049 -0.523 . . . . 10.0 111.842 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 28.8 ttp -67.7 -26.26 66.09 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.742 0.306 . . . . 10.0 111.378 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 68' ' ' ARG . . . . . 0.57 ' HA ' ' CZ ' ' B' ' 71' ' ' TYR . 1.1 ttp180 -59.05 -36.46 75.06 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.906 -0.588 . . . . 10.0 111.422 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -56.37 -35.11 67.31 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.68 -0.691 . . . . 10.0 111.903 -179.326 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -59.27 -58.18 9.77 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.244 0.461 . . . . 10.0 112.244 -178.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 71' ' ' TYR . . . . . 0.57 ' CZ ' ' HA ' ' B' ' 68' ' ' ARG . 0.5 OUTLIER -72.68 -24.89 61.08 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.88 0.696 . . . . 10.0 112.88 -178.861 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 72' ' ' MET . . . . . 0.778 ' HA ' ' HZ ' ' B' ' 78' ' ' PHE . 36.2 mtt -70.29 -35.9 74.0 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.939 0.4 . . . . 10.0 111.03 179.368 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -80.83 -19.97 43.46 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.129 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 4.2 m -94.36 -42.6 8.81 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.492 0.553 . . . . 10.0 112.492 -179.006 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -67.75 140.47 36.68 Favored Glycine 0 C--N 1.333 0.399 0 C-N-CA 121.128 -0.558 . . . . 10.0 113.437 -179.401 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 76' ' ' GLU . . . . . 0.408 ' HG3' ' HB2' ' B' ' 5' ' ' LYS . 27.4 mt-10 -91.14 -47.6 7.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.697 0.284 . . . . 10.0 110.543 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -113.67 137.94 14.53 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.921 -0.657 . . . . 10.0 111.728 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 78' ' ' PHE . . . . . 0.778 ' HZ ' ' HA ' ' B' ' 72' ' ' MET . 74.9 m-85 -112.92 122.8 48.71 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.286 0.565 . . . . 10.0 111.55 -179.451 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.627 HD13 HD22 ' B' ' 159' ' ' LEU . 17.7 tp -95.47 104.08 15.97 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.529 -0.76 . . . . 10.0 110.086 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.7 97.81 7.44 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.035 -0.529 . . . . 10.0 109.895 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 90.9 t -104.87 121.52 56.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.043 0.449 . . . . 10.0 110.921 -179.154 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 82' ' ' PHE . . . . . 0.792 ' HB2' ' HB2' ' B' ' 89' ' ' SER . 20.6 p90 -135.26 157.83 45.91 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.59 179.083 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -96.83 136.4 37.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.04 179.582 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 35.0 pt -75.44 -12.17 14.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 112.369 0.507 . . . . 10.0 112.369 -179.279 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 22.5 p-10 -94.19 4.03 54.45 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.848 0.356 . . . . 10.0 111.118 179.663 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -137.94 107.09 6.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.821 179.637 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 1.6 m -61.91 -29.75 70.43 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.962 -0.563 . . . . 10.0 111.802 -179.457 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -55.7 -47.78 76.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.449 -0.342 . . . . 10.0 111.098 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 89' ' ' SER . . . . . 0.792 ' HB2' ' HB2' ' B' ' 82' ' ' PHE . 0.0 OUTLIER -61.03 -33.56 73.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 10.0 111.488 179.86 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -67.68 -47.82 68.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.258 -0.428 . . . . 10.0 111.004 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -70.01 -31.98 69.91 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.241 -0.436 . . . . 10.0 110.743 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -61.77 -27.07 68.48 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.945 -0.57 . . . . 10.0 111.446 179.58 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 93' ' ' ILE . . . . . 0.426 HG12 ' O ' ' B' ' 89' ' ' SER . 47.4 mm -57.11 -38.77 62.55 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-N 116.508 -0.315 . . . . 10.0 110.994 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -64.3 -46.5 83.3 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.543 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -61.28 -44.34 97.39 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.262 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -63.4 -45.61 90.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.532 178.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 4.7 tmt_? -58.56 -50.08 75.08 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.956 -0.565 . . . . 10.0 111.918 -178.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 -62.0 -34.6 76.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.691 0.281 . . . . 10.0 111.386 -179.671 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -68.29 -41.86 80.32 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.471 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 96.7 mt -58.07 -45.77 88.27 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.585 179.618 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 38.4 mtmt -62.06 -32.85 73.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.297 -0.411 . . . . 10.0 110.954 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 13.2 ttm180 -76.63 -43.46 38.17 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.118 -0.492 . . . . 10.0 111.692 -179.075 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 99.9 t -70.29 -46.98 69.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.965 0.412 . . . . 10.0 111.939 -179.4 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 104' ' ' LYS . . . . . 0.414 ' HD2' ' HE2' ' B' ' 78' ' ' PHE . 27.4 mtpp -80.93 -16.03 54.66 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.487 -0.324 . . . . 10.0 111.858 -179.009 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 2.9 t70 57.54 60.77 2.71 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.685 0.755 . . . . 10.0 111.259 -179.332 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 8.4 t -157.44 145.65 19.19 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.424 -0.807 . . . . 10.0 110.133 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -96.01 -25.89 15.75 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.247 0.546 . . . . 10.0 110.071 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.87 79.84 1.38 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.773 -0.649 . . . . 10.0 110.823 -179.301 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 109' ' ' VAL . . . . . 0.419 ' HA ' ' HD3' ' B' ' 110' ' ' PRO . 0.4 OUTLIER -110.36 133.33 21.13 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 116.205 -0.452 . . . . 10.0 111.457 -179.675 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 110' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 23.5 Cg_exo -64.7 124.22 12.87 Favored 'Trans proline' 0 C--O 1.236 0.384 0 C-N-CA 122.839 2.359 . . . . 10.0 111.987 179.493 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 16.7 mtm -151.13 153.21 34.58 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.524 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 85.3 t -135.77 126.93 44.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.002 -0.545 . . . . 10.0 109.804 179.382 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 19.2 tp -85.94 115.59 23.65 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.009 0.433 . . . . 10.0 110.103 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 114' ' ' VAL . . . . . 0.431 HG21 HD11 ' B' ' 79' ' ' LEU . 57.2 t -117.61 125.31 74.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.218 0.532 . . . . 10.0 112.001 -178.854 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -105.28 119.72 6.26 Favored Glycine 0 N--CA 1.445 -0.745 0 N-CA-C 110.429 -1.069 . . . . 10.0 110.429 178.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 116' ' ' ASN . . . . . 0.591 HD22 ' HA3' ' B' ' 15' ' ' GLY . 63.7 t30 -102.47 166.82 10.33 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.63 0.215 . . . . 10.0 111.146 -179.186 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 91.7 mttt 65.51 32.29 9.54 Favored 'General case' 0 N--CA 1.463 0.189 0 O-C-N 123.746 0.654 . . . . 10.0 111.273 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 54.5 m -69.27 -14.02 62.72 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.866 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -84.13 -3.73 58.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.372 -0.376 . . . . 10.0 110.915 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 120' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' B' ' 120' ' ' LEU . 8.9 mt -92.51 130.48 37.11 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.052 179.406 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -75.58 175.02 11.83 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.921 2.414 . . . . 10.0 111.474 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 19.8 m 58.77 52.85 6.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.079 -0.509 . . . . 10.0 110.959 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 123' ' ' ARG . . . . . 0.589 ' HD3' ' O ' ' B' ' 125' ' ' VAL . 5.0 ptp180 -69.56 137.23 52.23 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.055 -0.52 . . . . 10.0 111.243 179.76 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.03 -30.92 17.43 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.137 0.494 . . . . 10.0 109.757 179.157 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 125' ' ' VAL . . . . . 0.589 ' O ' ' HD3' ' B' ' 123' ' ' ARG . 48.1 t -100.53 117.85 46.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.891 -0.595 . . . . 10.0 109.511 179.143 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 126' ' ' ASP . . . . . 0.54 ' OD2' ' HG2' ' B' ' 128' ' ' LYS . 6.8 t0 -75.1 142.79 43.62 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.175 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -56.83 -50.73 71.52 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.658 -179.545 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 128' ' ' LYS . . . . . 0.617 ' HB2' ' HA ' ' C' ' 47' ' ' ASP . 15.5 pttm -63.55 -33.56 75.86 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 113.509 0.929 . . . . 10.0 113.509 -177.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 129' ' ' GLN . . . . . 0.529 ' HG2' ' O ' ' B' ' 126' ' ' ASP . 2.4 pt20 -68.19 -27.55 66.49 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.302 -0.559 . . . . 10.0 110.93 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -88.1 -32.8 18.51 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.42 -0.585 . . . . 10.0 109.42 178.576 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 131' ' ' GLN . . . . . 0.535 ' HB3' ' CZ ' ' C' ' 161' ' ' ARG . 87.0 mt-30 -63.43 -52.46 61.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.267 -0.878 . . . . 10.0 112.015 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 132' ' ' ASP . . . . . 0.688 ' HB2' ' HB3' ' C' ' 47' ' ' ASP . 27.6 t0 -62.52 -35.42 79.33 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.957 0.408 . . . . 10.0 110.939 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 27.7 tp -62.06 -46.03 90.94 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.02 179.077 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.82 -36.18 82.78 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 115.888 -0.596 . . . . 10.0 110.075 179.275 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 135' ' ' ARG . . . . . 0.736 ' HG3' ' HB3' ' C' ' 161' ' ' ARG . 6.5 tmm_? -62.26 -37.33 85.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.839 -0.619 . . . . 10.0 110.351 179.536 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 13.0 t -69.67 -12.2 61.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 10.0 111.453 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -106.33 -28.44 10.38 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.788 0.328 . . . . 10.0 110.869 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 101.33 -4.2 54.77 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.722 -0.752 . . . . 10.0 112.627 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 39.2 pt -82.54 152.49 67.0 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-O 120.585 0.231 . . . . 10.0 111.323 -179.406 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -80.37 156.85 22.4 Favored 'Trans proline' 0 C--O 1.239 0.563 0 C-N-CA 122.763 2.309 . . . . 10.0 111.823 179.464 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -143.57 131.43 21.53 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 115.901 -0.59 . . . . 10.0 110.463 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 12.2 tt -143.63 142.85 24.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.657 -179.456 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -78.56 135.37 37.28 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.485 -0.561 . . . . 10.0 109.485 179.055 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 16.8 p -136.01 143.31 44.69 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.32 0.581 . . . . 10.0 112.373 -178.715 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 1.7 m -133.48 101.49 5.17 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.127 -1.064 . . . . 10.0 108.127 178.367 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 146' ' ' ALA . . . . . 0.526 ' HB2' HD23 ' B' ' 19' ' ' LEU . . . -64.5 -29.8 70.84 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.717 0.636 . . . . 10.0 112.717 -178.342 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -61.08 -33.79 73.9 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.744 0.307 . . . . 10.0 111.265 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.28 -8.81 24.43 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.922 179.746 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 74.28 -7.97 1.55 Allowed 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 113.408 0.892 . . . . 10.0 113.408 179.256 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.88 138.07 42.21 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 121.634 -0.666 . . . . 10.0 112.13 -179.77 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 86.96 -29.18 5.17 Favored Glycine 0 CA--C 1.524 0.63 0 C-N-CA 121.125 -0.56 . . . . 10.0 113.777 179.02 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 36.8 t -55.03 -41.63 60.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 112.105 0.409 . . . . 10.0 112.105 -178.59 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.31 -53.88 41.89 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.042 0.386 . . . . 10.0 112.042 -179.105 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -62.37 -32.77 73.62 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.731 0.641 . . . . 10.0 112.731 -178.807 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -56.92 -46.8 81.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.995 0.426 . . . . 10.0 110.421 179.455 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -74.61 -35.38 62.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.038 -0.528 . . . . 10.0 111.048 179.697 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -63.57 -44.53 93.85 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.499 179.517 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 28.7 m -67.44 -33.8 75.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.251 -0.432 . . . . 10.0 110.501 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 159' ' ' LEU . . . . . 0.627 HD22 HD13 ' B' ' 79' ' ' LEU . 44.9 tp -59.22 -45.99 89.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.274 179.35 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 84.1 t -73.32 -35.62 46.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.227 179.35 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -57.52 -40.77 79.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.46 -0.791 . . . . 10.0 110.745 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -66.63 -31.25 71.82 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.365 -0.379 . . . . 10.0 111.092 179.269 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 51.9 mt -74.12 -44.88 49.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-O 120.708 0.289 . . . . 10.0 110.638 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 164' ' ' ARG . . . . . 0.447 HH11 ' HD2' ' B' ' 164' ' ' ARG . 33.9 ttm105 -63.87 -38.35 90.77 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 109.085 -0.709 . . . . 10.0 109.085 179.072 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 26.4 ttmt . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 115.363 -0.835 . . . . 10.0 109.308 178.463 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 1' ' ' SER . . . . . 0.592 ' N ' ' HB ' ' C' ' 50' ' ' THR . 13.8 m . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.782 0.325 . . . . 10.0 110.971 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 2' ' ' THR . . . . . 0.508 ' HB ' ' CE2' ' C' ' 4' ' ' TYR . 0.2 OUTLIER -92.99 131.36 38.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.873 -179.712 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -98.62 135.81 39.61 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.288 -0.415 . . . . 10.0 110.734 -179.352 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 4' ' ' TYR . . . . . 0.508 ' CE2' ' HB ' ' C' ' 2' ' ' THR . 97.7 m-85 -132.53 116.49 16.8 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.56 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -88.19 117.96 27.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.892 0.377 . . . . 10.0 110.265 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 6' ' ' LEU . . . . . 0.607 ' O ' ' HA ' ' C' ' 55' ' ' ILE . 21.2 mt -116.04 132.52 56.63 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.945 -0.571 . . . . 10.0 110.801 -178.824 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 7' ' ' VAL . . . . . 0.533 HG11 ' CD2' ' C' ' 71' ' ' TYR . 39.4 t -124.02 130.54 73.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 N-CA-C 110.145 -0.317 . . . . 10.0 110.145 179.201 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.599 HG12 ' HB3' ' C' ' 79' ' ' LEU . 3.7 m -99.46 118.95 46.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.197 0.522 . . . . 10.0 111.661 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 15.9 m -108.02 150.44 10.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.111 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 157.03 -178.02 33.62 Favored Glycine 0 N--CA 1.445 -0.711 0 N-CA-C 111.124 -0.79 . . . . 10.0 111.124 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.63 -176.47 6.28 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.067 0.46 . . . . 10.0 110.698 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.28 139.65 30.78 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.348 -0.387 . . . . 10.0 110.508 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 91.24 7.89 65.05 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.66 -0.781 . . . . 10.0 112.69 179.582 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 35.6 m -88.4 -14.33 9.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.851 0.358 . . . . 10.0 110.819 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 95.12 28.14 10.2 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.928 -0.653 . . . . 10.0 112.989 179.325 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 1.4 mtmt -58.22 -40.85 82.73 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.037 0.384 . . . . 10.0 112.037 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.39 -33.87 42.37 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.606 -0.27 . . . . 10.0 111.412 -179.354 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.18 -43.11 87.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 10.0 111.498 -179.665 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 19' ' ' LEU . . . . . 0.419 HD23 ' HB2' ' C' ' 146' ' ' ALA . 95.5 mt -63.02 -34.9 78.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 10.0 111.662 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -76.62 -46.12 27.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.449 -0.341 . . . . 10.0 111.147 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 81.5 mt -61.23 -35.99 69.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 10.0 111.283 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 22' ' ' GLN . . . . . 0.574 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 2.5 mm-40 -65.91 -16.47 63.89 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.736 0.303 . . . . 10.0 111.394 179.502 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 13.6 tp -103.4 -42.33 5.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.981 0.419 . . . . 10.0 110.784 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 49.6 mm -71.44 -52.61 25.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.833 -0.621 . . . . 10.0 112.067 -179.068 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -110.05 -1.71 17.42 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.109 0.48 . . . . 10.0 112.013 -179.149 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 26' ' ' ASN . . . . . 0.574 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 56.4 m-80 57.56 45.16 19.85 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 113.397 0.888 . . . . 10.0 113.397 178.494 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 8.0 p80 -151.25 166.47 30.8 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.559 0.219 . . . . 10.0 111.046 178.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -119.66 144.37 47.21 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.259 -0.428 . . . . 10.0 110.939 -179.042 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 4.3 m -111.4 121.27 63.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.805 -0.634 . . . . 10.0 109.926 179.084 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -77.82 -27.39 50.02 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.249 0.547 . . . . 10.0 110.7 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -80.71 136.76 36.23 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.695 -0.684 . . . . 10.0 110.594 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -65.82 142.67 57.87 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.846 -0.615 . . . . 10.0 110.142 179.446 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -142.09 101.81 5.76 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-O 120.712 0.291 . . . . 10.0 110.691 179.354 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -60.03 111.14 0.9 Allowed 'Trans proline' 0 C--O 1.233 0.26 0 C-N-CA 122.894 2.396 . . . . 10.0 111.889 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 1.3 m -93.64 119.06 32.18 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.61 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 36' ' ' ILE . . . . . 0.514 ' HA ' ' HB2' ' C' ' 59' ' ' ALA . 49.8 mm -90.0 -49.99 13.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 108.257 -1.016 . . . . 10.0 108.257 178.668 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 37' ' ' GLU . . . . . 0.833 ' HG2' HD11 ' C' ' 56' ' ' LEU . 6.6 tt0 -166.34 85.1 0.3 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.088 -0.96 . . . . 10.0 109.958 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -111.15 126.05 54.43 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.07 -0.344 . . . . 10.0 110.07 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 39' ' ' SER . . . . . 0.458 ' HB2' ' NH1' ' C' ' 41' ' ' ARG . 0.7 OUTLIER -110.29 138.69 46.33 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.025 0.441 . . . . 10.0 111.874 -179.65 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -127.05 140.94 51.93 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.095 -179.429 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 41' ' ' ARG . . . . . 0.494 ' HA ' ' O ' ' C' ' 53' ' ' LEU . 1.3 mpp_? -120.42 131.33 54.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.429 -0.35 . . . . 10.0 110.513 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 42' ' ' LYS . . . . . 0.467 ' HG2' HG13 ' C' ' 44' ' ' VAL . 55.1 tttp -144.77 126.08 14.79 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.92 0.39 . . . . 10.0 111.486 179.736 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -94.3 106.61 18.58 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.883 -0.599 . . . . 10.0 109.937 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 44' ' ' VAL . . . . . 0.467 HG13 ' HG2' ' C' ' 42' ' ' LYS . 4.4 m -125.05 163.43 25.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 121.009 0.433 . . . . 10.0 111.566 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 34.9 t -98.04 105.79 17.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.071 -0.513 . . . . 10.0 109.644 179.413 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 25.7 mt -112.07 119.88 61.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.509 -0.314 . . . . 10.0 110.744 -178.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 47' ' ' ASP . . . . . 0.688 ' HB3' ' HB2' ' B' ' 132' ' ' ASP . 6.6 m-20 63.0 20.66 12.44 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.511 -0.768 . . . . 10.0 111.632 179.576 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.82 -4.22 75.15 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.818 -0.706 . . . . 10.0 111.99 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -107.86 136.9 46.81 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 110.1 -0.333 . . . . 10.0 110.1 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 50' ' ' THR . . . . . 0.592 ' HB ' ' N ' ' C' ' 1' ' ' SER . 4.6 m -72.01 118.53 15.0 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.095 -0.705 . . . . 10.0 109.095 178.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 35.8 m -120.88 124.26 44.54 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.983 -179.179 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 56.4 tp -95.41 107.22 19.34 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.459 -0.941 . . . . 10.0 108.459 178.06 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 53' ' ' LEU . . . . . 0.494 ' O ' ' HA ' ' C' ' 41' ' ' ARG . 38.5 mt -83.03 122.18 27.99 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 112.513 0.56 . . . . 10.0 112.513 -178.264 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -110.57 80.55 1.32 Allowed 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 107.249 -1.389 . . . . 10.0 107.249 177.665 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 55' ' ' ILE . . . . . 0.607 ' HA ' ' O ' ' C' ' 6' ' ' LEU . 23.8 mt -89.76 138.15 19.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.836 -0.62 . . . . 10.0 112.504 -178.068 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 56' ' ' LEU . . . . . 0.833 HD11 ' HG2' ' C' ' 37' ' ' GLU . 32.8 tp -127.38 115.6 19.2 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.992 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -94.85 96.78 9.56 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.011 -0.737 . . . . 10.0 109.011 178.493 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.84 161.44 17.52 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.995 -0.548 . . . . 10.0 111.502 -179.597 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 59' ' ' ALA . . . . . 0.514 ' HB2' ' HA ' ' C' ' 36' ' ' ILE . . . -61.34 129.19 40.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.833 -0.621 . . . . 10.0 112.303 -179.541 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -112.0 32.77 6.12 Favored Glycine 0 N--CA 1.45 -0.405 0 CA-C-N 115.491 -0.777 . . . . 10.0 111.391 179.083 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -97.87 25.5 5.91 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.591 -0.304 . . . . 10.0 110.779 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 62' ' ' GLU . . . . . 0.479 ' HG3' ' H ' ' C' ' 63' ' ' GLU . 2.8 tp10 64.3 -161.14 0.29 Allowed 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.023 -0.535 . . . . 10.0 111.171 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 63' ' ' GLU . . . . . 0.479 ' H ' ' HG3' ' C' ' 62' ' ' GLU . 1.9 tm-20 72.76 -54.98 0.69 Allowed 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.149 0.58 . . . . 10.0 112.369 179.376 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -58.18 92.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.745 0.646 . . . . 10.0 112.745 -179.007 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 3.8 m -106.67 -25.53 11.73 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.796 -0.638 . . . . 10.0 109.915 179.14 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.4 -54.68 3.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.252 0.549 . . . . 10.0 111.06 179.567 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 23.0 ttt -61.7 -33.68 74.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.898 -0.592 . . . . 10.0 111.437 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 68' ' ' ARG . . . . . 0.777 ' HA ' ' CE1' ' C' ' 71' ' ' TYR . 16.3 ttp180 -63.4 -35.49 80.59 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.181 -0.463 . . . . 10.0 111.223 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -66.94 -38.85 86.93 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.542 -0.754 . . . . 10.0 110.933 -179.247 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -62.85 -54.56 36.9 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.744 0.646 . . . . 10.0 112.744 -178.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 71' ' ' TYR . . . . . 0.777 ' CE1' ' HA ' ' C' ' 68' ' ' ARG . 5.4 p90 -65.39 -27.96 68.92 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.653 0.612 . . . . 10.0 112.653 -178.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 72' ' ' MET . . . . . 0.437 ' HA ' ' CZ ' ' C' ' 78' ' ' PHE . 46.2 mtt -69.34 -21.91 63.79 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.114 0.483 . . . . 10.0 110.335 179.235 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 73' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' C' ' 73' ' ' ARG . 6.1 mtm180 -88.17 -12.38 44.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.971 -0.559 . . . . 10.0 110.017 178.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 2.4 m -101.98 -40.1 7.03 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.137 0.421 . . . . 10.0 112.137 -178.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -70.89 152.67 50.58 Favored Glycine 0 CA--C 1.519 0.3 0 C-N-CA 120.753 -0.737 . . . . 10.0 112.849 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -106.96 -51.34 2.94 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.731 0.301 . . . . 10.0 110.69 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -101.94 116.19 5.46 Favored Glycine 0 N--CA 1.441 -1.029 0 N-CA-C 111.13 -0.788 . . . . 10.0 111.13 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 78' ' ' PHE . . . . . 0.581 ' HB2' ' HG2' ' C' ' 111' ' ' MET . 96.5 m-85 -103.97 119.14 38.31 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.914 0.388 . . . . 10.0 111.42 -179.281 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 79' ' ' LEU . . . . . 0.599 ' HB3' HG12 ' C' ' 8' ' ' VAL . 11.2 tp -98.02 121.32 39.81 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.29 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 80' ' ' CYS . . . . . 0.711 ' HB3' HD12 ' C' ' 93' ' ' ILE . 27.4 m -87.93 98.29 11.41 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.989 -0.745 . . . . 10.0 108.989 179.183 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 21.9 t -98.31 115.89 39.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.022 -0.536 . . . . 10.0 111.417 -178.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 82' ' ' PHE . . . . . 0.583 ' HE2' ' HG ' ' C' ' 113' ' ' LEU . 50.4 p90 -128.4 161.82 28.57 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.577 -0.738 . . . . 10.0 109.894 179.23 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 83' ' ' ALA . . . . . 0.416 ' HB1' ' OD1' ' C' ' 85' ' ' ASN . . . -105.46 131.97 52.22 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.454 -0.339 . . . . 10.0 110.256 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 84' ' ' ILE . . . . . 0.599 HD12 ' HB3' ' C' ' 123' ' ' ARG . 18.8 pt -68.48 -9.69 11.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.521 -0.309 . . . . 10.0 111.735 -179.511 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 85' ' ' ASN . . . . . 0.416 ' OD1' ' HB1' ' C' ' 83' ' ' ALA . 22.2 p-10 -107.84 15.54 24.4 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.15 179.198 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -141.95 95.14 2.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.856 -0.611 . . . . 10.0 109.406 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.57 -32.13 70.07 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.064 -0.516 . . . . 10.0 112.19 -178.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -59.44 -47.55 85.05 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.343 -0.39 . . . . 10.0 111.668 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 89.8 p -60.58 -37.88 82.79 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.135 0.42 . . . . 10.0 112.135 -179.422 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -65.52 -42.59 91.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.934 0.397 . . . . 10.0 111.288 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -73.3 -29.46 62.72 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.391 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.58 -23.04 66.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.878 -0.601 . . . . 10.0 111.786 -179.753 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 93' ' ' ILE . . . . . 0.711 HD12 ' HB3' ' C' ' 80' ' ' CYS . 40.4 mm -57.99 -36.58 56.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.177 0.513 . . . . 10.0 110.175 179.215 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 17.8 t60 -61.97 -41.78 98.4 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.674 -0.694 . . . . 10.0 110.164 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -63.19 -44.95 93.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.493 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 96' ' ' TYR . . . . . 0.495 ' O ' HG13 ' C' ' 100' ' ' ILE . 12.9 m-85 -67.0 -42.41 85.05 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.934 -0.576 . . . . 10.0 110.808 -179.614 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -56.54 -48.57 76.98 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.282 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -65.02 -35.63 81.8 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.108 -0.496 . . . . 10.0 111.777 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 99' ' ' GLN . . . . . 0.441 ' O ' HG23 ' C' ' 103' ' ' VAL . 62.4 tt0 -66.26 -49.64 66.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.499 -0.318 . . . . 10.0 111.002 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 100' ' ' ILE . . . . . 0.495 HG13 ' O ' ' C' ' 96' ' ' TYR . 58.1 mt -54.8 -42.0 59.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 O-C-N 123.386 0.428 . . . . 10.0 110.866 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -62.86 -39.28 93.94 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.897 -0.592 . . . . 10.0 111.05 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 9.8 tmm_? -74.33 -40.71 62.02 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.22 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 103' ' ' VAL . . . . . 0.441 HG23 ' O ' ' C' ' 99' ' ' GLN . 61.1 t -56.58 -49.3 78.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.113 -0.494 . . . . 10.0 111.924 -179.47 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 13.1 mttp -97.26 -1.73 44.17 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.708 -0.397 . . . . 10.0 111.823 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 32.3 t70 53.92 58.63 4.89 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.72 0.771 . . . . 10.0 111.087 -179.21 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 27.0 m -150.39 149.28 29.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.751 -0.659 . . . . 10.0 110.592 -179.573 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -92.52 -48.04 6.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.977 0.418 . . . . 10.0 110.988 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -79.97 92.98 5.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.053 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 109' ' ' VAL . . . . . 0.46 ' HA ' ' HD3' ' C' ' 110' ' ' PRO . 66.0 t -112.14 131.49 22.5 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 116.299 -0.41 . . . . 10.0 110.108 -179.48 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 110' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' C' ' 109' ' ' VAL . 16.9 Cg_exo -68.32 102.85 0.86 Allowed 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.676 2.251 . . . . 10.0 111.481 179.279 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 111' ' ' MET . . . . . 0.581 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 33.6 mtm -138.84 154.74 48.46 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.094 -0.503 . . . . 10.0 109.774 -179.624 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 112' ' ' VAL . . . . . 0.589 ' HB ' HD12 ' C' ' 79' ' ' LEU . 93.6 t -134.59 130.47 53.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 N-CA-C 109.273 -0.64 . . . . 10.0 109.273 178.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 113' ' ' LEU . . . . . 0.583 ' HG ' ' HE2' ' C' ' 82' ' ' PHE . 15.1 tp -84.42 117.79 23.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.924 0.392 . . . . 10.0 110.026 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 33.1 t -123.85 122.54 64.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.223 0.535 . . . . 10.0 111.451 -178.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -100.97 120.34 6.85 Favored Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 110.255 -1.138 . . . . 10.0 110.255 178.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -101.78 165.37 11.24 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.844 0.322 . . . . 10.0 111.424 -179.151 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 117' ' ' LYS . . . . . 0.57 ' HB3' HD12 ' C' ' 120' ' ' LEU . 98.8 mttt 66.92 30.39 7.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.698 -0.683 . . . . 10.0 111.905 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 118' ' ' CYS . . . . . 0.59 ' HA ' HD13 ' C' ' 84' ' ' ILE . 57.9 m -69.88 -8.1 45.75 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.88 0.696 . . . . 10.0 112.88 -179.619 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -94.03 1.31 56.24 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.928 0.394 . . . . 10.0 111.218 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 120' ' ' LEU . . . . . 0.57 HD12 ' HB3' ' C' ' 117' ' ' LYS . 30.6 mt -90.96 128.47 47.74 Favored Pre-proline 0 C--O 1.236 0.362 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.652 179.558 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -67.75 152.99 77.02 Favored 'Trans proline' 0 C--O 1.236 0.407 0 C-N-CA 122.365 2.044 . . . . 10.0 111.443 179.529 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 6.7 m 65.59 79.76 0.24 Allowed 'General case' 0 CA--C 1.529 0.171 0 O-C-N 123.758 0.661 . . . . 10.0 111.364 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 123' ' ' ARG . . . . . 0.599 ' HB3' HD12 ' C' ' 84' ' ' ILE . 4.0 ptp180 -93.51 139.01 31.21 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.983 -0.553 . . . . 10.0 111.224 -179.549 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 16.1 p -87.53 -32.96 19.12 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.02 0.438 . . . . 10.0 109.937 179.315 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 125' ' ' VAL . . . . . 0.548 ' O ' ' HD3' ' C' ' 123' ' ' ARG . 64.8 t -92.95 121.08 43.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-N 116.0 -0.546 . . . . 10.0 110.612 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 126' ' ' ASP . . . . . 0.539 ' O ' ' HG2' ' C' ' 129' ' ' GLN . 18.4 t0 -78.74 139.45 38.44 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.498 -0.774 . . . . 10.0 109.633 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.31 -37.37 82.98 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.324 0.583 . . . . 10.0 109.88 179.658 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 128' ' ' LYS . . . . . 0.771 ' HG3' ' HA ' ' B' ' 47' ' ' ASP . 0.5 OUTLIER -58.71 -46.45 87.3 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.097 -0.956 . . . . 10.0 111.786 -179.898 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 129' ' ' GLN . . . . . 0.539 ' HG2' ' O ' ' C' ' 126' ' ' ASP . 5.0 pt20 -68.41 -27.98 66.68 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.846 0.355 . . . . 10.0 111.527 -179.122 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -80.33 -44.94 18.66 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.006 0.431 . . . . 10.0 110.416 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -64.99 -42.7 94.28 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.967 -0.56 . . . . 10.0 111.041 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 132' ' ' ASP . . . . . 0.487 ' O ' ' HB3' ' C' ' 135' ' ' ARG . 22.4 t0 -68.64 -31.19 70.16 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.293 -0.412 . . . . 10.0 111.203 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 48.2 tp -67.77 -41.72 82.86 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.317 -0.623 . . . . 10.0 109.317 178.639 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -67.78 -26.37 66.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.337 -0.847 . . . . 10.0 109.693 179.042 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 135' ' ' ARG . . . . . 0.487 ' HB3' ' O ' ' C' ' 132' ' ' ASP . 6.8 tmm_? -61.27 -44.21 97.62 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.352 -0.84 . . . . 10.0 110.729 179.176 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -73.37 -22.36 60.3 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.984 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -83.06 -32.59 26.74 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.055 -0.521 . . . . 10.0 111.109 -179.588 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 93.19 11.11 58.93 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.744 -0.741 . . . . 10.0 112.121 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 41.4 pt -114.68 159.28 37.78 Favored Pre-proline 0 C--N 1.326 -0.446 0 N-CA-C 110.334 -0.247 . . . . 10.0 110.334 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -87.35 158.97 8.18 Favored 'Trans proline' 0 N--CA 1.46 -0.484 0 C-N-CA 122.488 2.125 . . . . 10.0 112.963 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -121.07 136.88 54.89 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.617 -0.719 . . . . 10.0 109.71 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 37.6 mt -131.21 137.13 56.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.738 -0.21 . . . . 10.0 111.329 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -89.52 134.44 34.11 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 108.437 -0.949 . . . . 10.0 108.437 178.536 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 21.7 p -131.19 171.15 13.63 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.959 0.725 . . . . 10.0 112.959 -178.267 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 14.4 t -168.74 117.85 0.7 Allowed 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 114.842 -1.072 . . . . 10.0 108.705 179.134 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 146' ' ' ALA . . . . . 0.513 ' HB1' ' HG3' ' C' ' 22' ' ' GLN . . . -79.55 -0.11 32.11 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.74 0.305 . . . . 10.0 111.276 179.525 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 5.5 ttmt -82.48 -53.08 6.27 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.542 -0.54 . . . . 10.0 109.542 179.172 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -87.92 -22.22 24.48 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.649 -0.501 . . . . 10.0 109.649 178.573 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 26.9 ttt-85 63.39 48.15 3.66 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.503 -0.772 . . . . 10.0 111.194 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -123.92 134.47 53.51 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.683 -0.69 . . . . 10.0 109.578 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 86.17 -19.88 24.3 Favored Glycine 0 C--N 1.329 0.171 0 C-N-CA 120.946 -0.645 . . . . 10.0 112.671 179.595 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 3.7 t -64.99 -41.61 92.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.095 0.474 . . . . 10.0 110.608 -179.462 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.31 -36.64 82.78 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.857 -0.61 . . . . 10.0 110.723 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.11 -39.26 93.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.009 -0.542 . . . . 10.0 110.371 179.35 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.32 -47.15 87.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.504 -0.771 . . . . 10.0 111.486 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -59.41 -47.53 85.1 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.74 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 21.7 m-30 -61.76 -44.31 97.14 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.977 -0.556 . . . . 10.0 111.481 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 29.5 m -61.21 -42.43 98.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 10.0 112.154 -179.467 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 33.5 tp -60.99 -37.41 82.38 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.908 0.385 . . . . 10.0 111.2 -179.633 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 85.7 t -70.77 -42.39 77.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.913 -0.585 . . . . 10.0 111.035 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 161' ' ' ARG . . . . . 0.736 ' HB3' ' HG3' ' B' ' 135' ' ' ARG . 78.4 mtm-85 -65.16 -32.54 74.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.099 -0.501 . . . . 10.0 111.766 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -65.39 -31.96 73.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.989 0.423 . . . . 10.0 110.621 179.512 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 61.2 mt -67.58 -35.77 74.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.049 179.138 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 42.5 mtt85 -69.62 -19.0 63.65 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.052 -0.522 . . . . 10.0 111.272 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -75.65 -19.01 59.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 10.0 111.189 -179.648 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 61.0 t60 -60.42 -45.82 92.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.19 0.519 . . . . 10.0 110.146 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 42.9 pttt . . . . . 0 C--N 1.325 -0.479 0 CA-C-N 115.941 -0.572 . . . . 10.0 109.934 179.333 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 7.1 tmtm? . . . . . 0 C--O 1.233 0.203 0 CA-C-O 120.602 0.239 . . . . 10.0 111.17 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 73.2 mt -65.6 -39.16 91.26 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.648 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 27.8 mt -63.97 -47.41 80.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.084 -0.507 . . . . 10.0 111.194 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -62.55 -49.62 74.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.726 -0.67 . . . . 10.0 111.308 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -68.28 -27.65 66.51 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.768 -0.651 . . . . 10.0 112.243 -178.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 79.9 t90 -68.18 -35.07 77.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.121 -0.491 . . . . 10.0 109.935 179.245 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -61.71 -38.81 89.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.386 -0.37 . . . . 10.0 110.526 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 10.5 m -64.01 -30.43 71.5 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.857 179.469 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 46.3 t -76.05 -45.44 36.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 108.879 -0.785 . . . . 10.0 108.879 178.495 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 10.9 m -59.89 -42.62 94.2 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.358 -0.837 . . . . 10.0 111.786 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 2.8 p -63.22 -44.6 94.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.988 0.423 . . . . 10.0 109.926 179.512 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 29.6 m -63.42 -43.95 96.01 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.873 -0.603 . . . . 10.0 109.818 178.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.78 -38.35 84.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.693 179.359 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 21.7 m -65.67 -46.64 78.34 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.167 -0.469 . . . . 10.0 110.256 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -65.38 -37.38 86.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.184 179.334 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 31.6 mt -63.58 -42.21 98.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.049 -0.523 . . . . 10.0 109.89 178.659 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 218' ' ' ARG . . . . . 0.426 ' HA ' HD12 ' A' ' 221' ' ' LEU . 47.7 mtt85 -67.88 -32.3 72.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 10.0 111.157 179.597 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -71.36 -31.77 67.73 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.377 -0.601 . . . . 10.0 109.377 178.463 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -79.52 -29.78 41.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.798 -0.637 . . . . 10.0 109.605 178.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 221' ' ' LEU . . . . . 0.426 HD12 ' HA ' ' A' ' 218' ' ' ARG . 16.2 mt -55.06 -33.3 62.61 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-N 115.877 -0.602 . . . . 10.0 111.065 179.594 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -58.31 -69.69 1.2 Allowed Glycine 0 N--CA 1.45 -0.424 0 N-CA-C 110.699 -0.96 . . . . 10.0 110.699 178.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -52.25 -39.48 72.0 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.926 2.417 . . . . 10.0 111.364 178.042 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 8.8 t -56.82 -51.15 71.2 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 CA-C-O 120.82 0.343 . . . . 10.0 110.346 178.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 225' ' ' THR . . . . . 0.409 ' O ' ' HB2' ' A' ' 229' ' ' TRP . 11.2 m -64.68 -39.67 94.07 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.513 -0.312 . . . . 10.0 110.299 179.674 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -62.14 -53.84 49.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.941 179.543 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -64.94 -43.02 94.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 10.0 111.472 -179.502 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 228' ' ' PHE . . . . . 0.408 ' O ' ' HG ' ' A' ' 232' ' ' LEU . 6.9 m-85 -65.1 -48.2 74.53 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.87 0.322 . . . . 10.0 111.87 179.676 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 229' ' ' TRP . . . . . 0.409 ' HB2' ' O ' ' A' ' 225' ' ' THR . 1.6 t-105 -65.71 -32.94 74.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.577 -0.283 . . . . 10.0 111.066 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -60.71 -45.4 94.36 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 178.655 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 231' ' ' ASN . . . . . 0.546 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 85.7 m-20 -71.37 -35.26 71.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.762 -0.654 . . . . 10.0 110.048 178.7 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 232' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 228' ' ' PHE . 51.4 mt -61.39 -41.77 97.66 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.67 -0.492 . . . . 10.0 109.67 178.74 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -64.26 -31.59 72.85 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.188 178.727 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 234' ' ' LYS . . . . . 0.546 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 74.1 mttt -71.15 -43.6 67.24 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.632 -0.507 . . . . 10.0 109.632 178.566 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -63.98 -45.83 87.33 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.117 179.127 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 10.3 p -66.52 -39.21 88.52 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.301 179.224 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 237' ' ' GLU . . . . . 0.78 ' HA ' ' HD2' ' A' ' 240' ' ' ARG . 33.4 tt0 -61.79 -44.68 96.39 Favored 'General case' 0 C--O 1.231 0.124 0 N-CA-C 109.457 -0.572 . . . . 10.0 109.457 178.438 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -60.05 -43.96 97.74 Favored Glycine 0 N--CA 1.445 -0.757 0 N-CA-C 109.923 -1.271 . . . . 10.0 109.923 178.161 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 239' ' ' LEU . . . . . 0.463 ' HA ' ' HB2' ' A' ' 242' ' ' GLU . 79.0 mt -66.43 -26.73 67.36 Favored 'General case' 0 C--O 1.224 -0.276 0 CA-C-N 115.638 -0.281 . . . . 10.0 110.794 178.854 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 240' ' ' ARG . . . . . 0.78 ' HD2' ' HA ' ' A' ' 237' ' ' GLU . 63.5 mtt180 -69.11 -45.62 69.74 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 108.58 -0.896 . . . . 10.0 108.58 178.356 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -67.14 -41.75 85.58 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 108.667 -0.864 . . . . 10.0 108.667 178.038 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 242' ' ' GLU . . . . . 0.558 ' OE1' ' HB3' ' D' ' 528' ' ' ARG . 2.9 mt-10 -62.31 -38.99 91.55 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-N 114.98 -1.009 . . . . 10.0 111.002 179.3 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 3.2 mtm -58.1 -29.56 65.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.667 0.27 . . . . 10.0 110.875 179.628 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 1.9 m -70.62 -0.89 9.59 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-O 121.285 0.564 . . . . 10.0 110.759 179.113 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -131.11 -56.59 1.03 Allowed 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.36 -0.608 . . . . 10.0 109.36 178.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 246' ' ' ASP . . . . . 0.519 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 22.0 t0 -57.09 -37.72 72.31 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.671 -0.695 . . . . 10.0 111.631 -179.457 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 247' ' ' LEU . . . . . 0.636 ' O ' HG12 ' A' ' 250' ' ' VAL . 0.4 OUTLIER -99.49 -35.81 9.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 10.0 111.408 179.841 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -69.1 -43.19 74.96 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.738 -0.385 . . . . 10.0 111.686 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -73.18 -31.11 64.01 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 121.08 -0.248 . . . . 10.0 110.558 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 250' ' ' VAL . . . . . 0.669 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 1.6 p -63.78 -31.79 54.46 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.122 0 C-N-CA 120.485 -0.486 . . . . 10.0 109.888 179.111 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 251' ' ' LYS . . . . . 0.528 ' O ' HG12 ' A' ' 254' ' ' VAL . 66.0 mttt -82.17 -44.6 16.23 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.789 -0.641 . . . . 10.0 110.175 179.173 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -61.23 -43.71 98.43 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.388 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 24.9 mtpt -79.84 -18.41 50.85 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.918 -0.583 . . . . 10.0 111.851 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 254' ' ' VAL . . . . . 0.669 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.3 OUTLIER -66.28 -26.75 38.71 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 C-N-CA 120.686 -0.405 . . . . 10.0 110.215 179.461 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 255' ' ' GLN . . . . . 0.446 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 47.3 mt-30 -60.57 -61.53 7.77 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 115.801 -0.636 . . . . 10.0 111.382 179.66 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 256' ' ' PRO . . . . . 0.446 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 38.3 Cg_endo -67.88 -28.42 36.07 Favored 'Trans proline' 0 C--N 1.355 0.901 0 C-N-CA 121.724 1.616 . . . . 10.0 111.697 179.244 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 6.7 m-30 -66.42 -55.23 16.73 Favored 'General case' 0 N--CA 1.46 0.053 0 CA-C-O 121.019 0.437 . . . . 10.0 110.315 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 55.5 mt -69.18 -31.6 70.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.167 -0.47 . . . . 10.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -61.34 -43.92 98.05 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.748 -0.464 . . . . 10.0 109.748 179.062 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -66.06 -54.49 25.17 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.104 179.326 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -56.23 -40.59 74.35 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.629 -0.714 . . . . 10.0 111.948 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -61.85 -47.26 85.83 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.012 -0.366 . . . . 10.0 110.012 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 16.5 mtmt -66.39 -35.03 79.29 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 110.294 -0.262 . . . . 10.0 110.294 179.204 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 264' ' ' LYS . . . . . 0.602 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 28.1 mmtp -63.46 -56.83 12.99 Favored 'General case' 0 CA--C 1.518 -0.255 0 N-CA-C 109.048 -0.723 . . . . 10.0 109.048 178.496 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 83.4 m95 -61.08 -32.16 71.82 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.566 179.306 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -61.76 -54.27 44.71 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 109.335 -0.617 . . . . 10.0 109.335 178.32 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -60.85 -37.34 81.75 Favored 'General case' 0 N--CA 1.456 -0.139 0 CA-C-N 116.229 -0.441 . . . . 10.0 109.903 179.048 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 268' ' ' GLU . . . . . 0.46 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 15.1 mt-10 -59.66 -46.96 87.45 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.867 -0.606 . . . . 10.0 109.546 178.205 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 22.1 mmt -67.27 -40.89 86.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.746 -0.661 . . . . 10.0 110.227 179.398 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 270' ' ' GLU . . . . . 0.482 ' O ' ' HG3' ' A' ' 274' ' ' GLN . 1.7 mm-40 -57.29 -55.74 30.86 Favored 'General case' 0 CA--C 1.519 -0.231 0 N-CA-C 109.91 -0.404 . . . . 10.0 109.91 179.046 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 37.4 mt -59.4 -42.42 91.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.826 -0.624 . . . . 10.0 110.759 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 272' ' ' TYR . . . . . 0.539 ' O ' ' HB ' ' A' ' 276' ' ' VAL . 0.1 OUTLIER -68.13 -27.62 66.6 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.752 0.279 . . . . 10.0 111.752 -179.857 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 273' ' ' ARG . . . . . 0.536 ' O ' HG12 ' A' ' 276' ' ' VAL . 84.9 mtt180 -83.65 -33.06 25.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.894 0.378 . . . . 10.0 111.288 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 274' ' ' GLN . . . . . 0.482 ' HG3' ' O ' ' A' ' 270' ' ' GLU . 23.1 mt-30 -77.77 -27.04 50.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.321 0.581 . . . . 10.0 109.499 178.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 275' ' ' LYS . . . . . 0.773 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 53.2 mttp -91.15 -24.13 20.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.482 -0.781 . . . . 10.0 111.769 178.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 276' ' ' VAL . . . . . 0.539 ' HB ' ' O ' ' A' ' 272' ' ' TYR . 5.2 p -62.18 -30.38 48.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 O-C-N 122.085 -0.385 . . . . 10.0 110.893 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -62.52 -59.65 12.2 Favored Pre-proline 0 CA--C 1.535 0.368 0 CA-C-N 116.415 -0.357 . . . . 10.0 111.539 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 278' ' ' PRO . . . . . 0.424 ' O ' ' HG3' ' A' ' 282' ' ' GLU . 15.2 Cg_endo -62.11 -38.61 55.1 Favored 'Trans proline' 0 C--N 1.356 0.973 0 C-N-CA 121.689 1.592 . . . . 10.0 111.655 178.512 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 279' ' ' LEU . . . . . 0.773 ' HG ' ' O ' ' A' ' 275' ' ' LYS . 20.8 mt -60.74 -46.4 90.6 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.009 0.433 . . . . 10.0 110.383 179.62 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 -68.32 -31.95 71.74 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.076 -0.511 . . . . 10.0 109.858 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -65.5 -46.21 80.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.045 -0.525 . . . . 10.0 109.759 178.705 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 282' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' A' ' 278' ' ' PRO . 53.4 mt-10 -62.14 -44.55 96.38 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.367 -0.605 . . . . 10.0 109.367 178.498 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 34.8 mt -62.35 -44.2 97.03 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.381 -0.827 . . . . 10.0 110.866 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -66.3 -46.86 75.48 Favored 'General case' 0 C--O 1.234 0.249 0 O-C-N 123.063 0.227 . . . . 10.0 111.422 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -62.52 -48.42 79.63 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 109.544 -0.539 . . . . 10.0 109.544 179.002 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -61.04 -37.71 94.34 Favored Glycine 0 N--CA 1.447 -0.592 0 N-CA-C 111.097 -0.801 . . . . 10.0 111.097 178.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -62.35 -46.55 88.14 Favored 'General case' 0 CA--C 1.515 -0.376 0 N-CA-C 109.616 -0.513 . . . . 10.0 109.616 178.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 288' ' ' ARG . . . . . 0.431 ' O ' ' HB2' ' A' ' 292' ' ' HIS . 68.7 mtt180 -58.93 -47.52 84.77 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-O 121.034 0.445 . . . . 10.0 109.917 179.412 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.43 -54.64 43.2 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.186 -0.916 . . . . 10.0 110.937 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 65.0 mttt -63.4 -38.67 92.03 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.184 -0.462 . . . . 10.0 112.162 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 291' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 291' ' ' LEU . 17.3 mt -68.67 -42.69 77.52 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.095 -0.335 . . . . 10.0 110.095 179.118 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 292' ' ' HIS . . . . . 0.431 ' HB2' ' O ' ' A' ' 288' ' ' ARG . 0.2 OUTLIER -61.72 -40.35 94.74 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.479 -0.563 . . . . 10.0 109.479 178.783 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.07 -41.52 98.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.877 -0.601 . . . . 10.0 109.828 178.395 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 79.9 mt -67.2 -43.76 81.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.65 -0.705 . . . . 10.0 110.403 179.01 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -63.33 -33.83 76.37 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.16 0.505 . . . . 10.0 110.256 179.278 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -64.78 -15.06 61.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.505 -0.771 . . . . 10.0 110.587 178.754 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 297' ' ' LYS . . . . . 0.564 ' HB3' HD12 ' A' ' 301' ' ' LEU . 10.5 mmtp -109.65 -34.34 6.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.012 178.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 298' ' ' LEU . . . . . 0.479 ' O ' ' HA3' ' A' ' 302' ' ' GLY . 79.3 mt -63.6 -25.74 68.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.322 -0.399 . . . . 10.0 111.578 179.594 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 299' ' ' SER . . . . . 0.583 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 3.7 m -80.2 -67.49 0.23 Allowed Pre-proline 0 CA--C 1.536 0.417 0 N-CA-C 112.456 0.539 . . . . 10.0 112.456 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 300' ' ' PRO . . . . . 0.583 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 36.8 Cg_endo -65.95 -54.08 0.6 Allowed 'Trans proline' 0 C--N 1.359 1.084 0 C-N-CA 121.792 1.661 . . . . 10.0 112.26 -179.308 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 301' ' ' LEU . . . . . 0.564 HD12 ' HB3' ' A' ' 297' ' ' LYS . 94.4 mt -64.66 -29.05 70.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.947 0.404 . . . . 10.0 110.01 179.678 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 302' ' ' GLY . . . . . 0.479 ' HA3' ' O ' ' A' ' 298' ' ' LEU . . . -66.83 -53.28 28.17 Favored Glycine 0 N--CA 1.448 -0.516 0 N-CA-C 110.883 -0.887 . . . . 10.0 110.883 178.726 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 303' ' ' GLU . . . . . 0.425 ' HA ' ' HD2' ' A' ' 306' ' ' ARG . 20.7 mt-10 -64.75 -34.23 77.85 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.159 0.504 . . . . 10.0 109.685 178.856 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -62.16 -43.64 98.37 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.695 -0.854 . . . . 10.0 108.695 177.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 16.1 tpt -66.38 -38.75 88.22 Favored 'General case' 0 C--O 1.22 -0.46 0 CA-C-N 115.732 -0.667 . . . . 10.0 109.514 178.698 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 306' ' ' ARG . . . . . 0.425 ' HD2' ' HA ' ' A' ' 303' ' ' GLU . 95.1 mtt180 -61.84 -43.86 98.0 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.139 179.271 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 307' ' ' ASP . . . . . 0.63 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 13.7 t70 -69.32 -43.85 72.9 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 116.059 -0.518 . . . . 10.0 110.592 179.682 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 308' ' ' ARG . . . . . 0.464 ' HD3' ' HA ' ' A' ' 308' ' ' ARG . 15.3 mmt180 -63.08 -35.76 81.34 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.735 -0.468 . . . . 10.0 109.735 178.214 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 309' ' ' ALA . . . . . 0.43 ' O ' HG23 ' A' ' 313' ' ' VAL . . . -65.99 -35.69 81.25 Favored 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 108.92 -0.77 . . . . 10.0 108.92 178.051 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 310' ' ' ARG . . . . . 0.63 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 78.4 mtt180 -58.63 -52.19 66.73 Favored 'General case' 0 CA--C 1.518 -0.251 0 N-CA-C 108.509 -0.923 . . . . 10.0 108.509 178.214 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -63.89 -38.65 91.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.599 -0.728 . . . . 10.0 110.348 179.307 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -56.13 -50.62 70.58 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.875 179.518 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 313' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 309' ' ' ALA . 9.7 t -78.82 -34.02 16.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.383 -179.483 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -60.35 -49.3 78.12 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 109.908 -0.405 . . . . 10.0 109.908 178.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -64.22 -31.53 72.76 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 109.31 -0.626 . . . . 10.0 109.31 178.624 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 10.7 mt -68.56 -47.0 67.97 Favored 'General case' 0 C--O 1.219 -0.545 0 CA-C-N 115.68 -0.691 . . . . 10.0 109.945 178.56 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 31.4 mtt85 -61.75 -40.38 94.91 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.789 0.328 . . . . 10.0 110.131 179.366 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 27.8 m -63.24 -26.98 69.04 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.679 -0.692 . . . . 10.0 110.549 179.419 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 14.4 m80 -91.74 -42.43 10.14 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.314 179.103 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 320' ' ' LEU . . . . . 0.465 ' HA ' ' HB2' ' A' ' 323' ' ' TYR . 89.2 mt -62.56 -28.9 70.19 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.354 0.501 . . . . 10.0 112.354 -179.502 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 321' ' ' ALA . . . . . 0.403 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -57.56 -63.24 3.99 Favored Pre-proline 0 C--O 1.237 0.41 0 N-CA-C 111.528 0.196 . . . . 10.0 111.528 179.263 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 322' ' ' PRO . . . . . 0.403 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 29.9 Cg_endo -66.43 -32.53 40.15 Favored 'Trans proline' 0 C--N 1.356 0.958 0 C-N-CA 121.306 1.337 . . . . 10.0 110.999 178.25 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 323' ' ' TYR . . . . . 0.465 ' HB2' ' HA ' ' A' ' 320' ' ' LEU . 3.1 m-85 -59.27 -51.14 71.23 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.315 -0.402 . . . . 10.0 111.094 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 34.1 p -68.69 -39.43 80.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.42 -0.354 . . . . 10.0 110.972 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 325' ' ' ASP . . . . . 0.499 ' HA ' ' HD2' ' A' ' 328' ' ' ARG . 12.7 t70 -62.02 -40.97 97.51 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.917 0.389 . . . . 10.0 110.374 179.354 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -69.3 -35.61 76.17 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.223 -0.658 . . . . 10.0 109.223 178.024 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 28.7 mt -62.81 -35.68 80.67 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.493 -0.558 . . . . 10.0 109.493 178.14 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 328' ' ' ARG . . . . . 0.499 ' HD2' ' HA ' ' A' ' 325' ' ' ASP . 65.7 mtt180 -61.98 -42.69 99.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.675 -0.693 . . . . 10.0 109.591 178.678 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -66.48 -42.97 86.68 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.921 -0.77 . . . . 10.0 108.921 178.746 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 330' ' ' ARG . . . . . 0.586 HH21 ' HB3' ' D' ' 447' ' ' GLU . 22.0 mtt-85 -59.83 -47.81 84.22 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.126 -0.943 . . . . 10.0 110.154 178.858 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 79.7 mt -63.7 -39.37 94.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.54 179.5 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -62.68 -40.06 95.91 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.995 -0.372 . . . . 10.0 109.995 179.471 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -72.07 -42.94 65.62 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.95 -0.568 . . . . 10.0 110.017 178.716 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 334' ' ' ARG . . . . . 0.53 ' HD3' ' OE1' ' D' ' 440' ' ' GLU . 18.9 mmt180 -60.17 -49.58 77.05 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 115.95 -0.568 . . . . 10.0 109.769 178.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 79.4 mt -64.29 -33.66 76.33 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.695 -0.684 . . . . 10.0 110.751 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -66.02 -48.66 70.39 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.597 -0.52 . . . . 10.0 109.597 178.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -61.41 -41.66 97.51 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.093 -0.706 . . . . 10.0 109.093 178.514 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 34.7 mt -64.32 -33.12 75.1 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-N 115.662 -0.699 . . . . 10.0 111.003 178.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 45.6 mttt -78.04 -44.79 25.44 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.755 -0.202 . . . . 10.0 110.797 179.397 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -62.24 -54.63 38.03 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.042 -0.527 . . . . 10.0 110.46 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -72.44 -32.33 66.2 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.966 -0.561 . . . . 10.0 109.938 179.317 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -62.94 -46.07 94.33 Favored Glycine 0 CA--C 1.507 -0.468 0 N-CA-C 111.56 -0.616 . . . . 10.0 111.56 179.357 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -60.63 -35.74 90.08 Favored Glycine 0 N--CA 1.452 -0.297 0 N-CA-C 110.755 -0.938 . . . . 10.0 110.755 178.678 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -69.24 -45.2 70.35 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.004 -0.739 . . . . 10.0 109.004 178.509 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 31.0 mtm180 -61.3 -39.59 91.02 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 115.788 -0.642 . . . . 10.0 110.283 179.027 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 43.5 mt -61.65 -50.44 72.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 10.0 109.852 178.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.13 -42.43 98.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.331 179.537 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 348' ' ' GLU . . . . . 0.451 ' HB3' ' HE2' ' A' ' 352' ' ' LYS . 17.3 mt-10 -66.61 -46.65 75.18 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.99 179.469 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -60.9 -37.35 81.91 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.88 179.566 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -62.96 -43.11 99.7 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.569 -0.53 . . . . 10.0 109.569 178.41 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 351' ' ' ALA . . . . . 0.423 ' O ' ' HG2' ' A' ' 355' ' ' GLU . . . -64.83 -47.5 77.77 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.796 -0.638 . . . . 10.0 109.733 178.706 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 352' ' ' LYS . . . . . 0.451 ' HE2' ' HB3' ' A' ' 348' ' ' GLU . 21.4 mttm -60.67 -38.52 85.2 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.712 -0.676 . . . . 10.0 110.719 179.269 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.41 -39.35 85.52 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.236 -0.438 . . . . 10.0 109.843 179.044 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 93.8 m -64.95 -43.19 93.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.134 179.326 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 355' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 351' ' ' ALA . 12.2 mm-40 -62.17 -37.02 83.65 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 108.948 -0.76 . . . . 10.0 108.948 178.44 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -68.01 -33.13 74.03 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 115.185 -0.916 . . . . 10.0 109.33 178.632 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 74.7 mt -70.67 -39.88 73.3 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.266 178.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 15.6 m -59.65 -43.74 93.78 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 121.153 0.501 . . . . 10.0 109.784 178.641 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 359' ' ' THR . . . . . 0.4 ' O ' ' HB2' ' A' ' 362' ' ' GLU . 1.1 p -76.87 -28.41 55.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.806 -0.633 . . . . 10.0 110.502 179.256 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 360' ' ' LEU . . . . . 0.456 HD12 ' HD2' ' A' ' 363' ' ' LYS . 43.0 tp -66.03 -30.42 70.95 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 108.911 -0.774 . . . . 10.0 108.911 178.33 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 14.9 m -65.49 -29.48 70.14 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.564 -0.744 . . . . 10.0 109.385 178.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 362' ' ' GLU . . . . . 0.59 ' OE2' ' HE3' ' D' ' 414' ' ' LYS . 5.0 mm-40 -70.71 -20.42 62.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.742 -0.663 . . . . 10.0 109.837 178.543 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 363' ' ' LYS . . . . . 0.66 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 79.7 mttt -94.71 -39.08 10.49 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.493 -0.776 . . . . 10.0 109.675 179.633 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -74.35 -24.94 59.25 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.759 -0.655 . . . . 10.0 112.528 -179.464 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 365' ' ' LYS . . . . . 0.964 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 82.7 mttt -110.26 -76.96 0.01 OUTLIER Pre-proline 0 CA--C 1.538 0.495 0 N-CA-C 112.859 0.688 . . . . 10.0 112.859 179.544 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 366' ' ' PRO . . . . . 0.964 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 45.1 Cg_exo -57.18 -49.7 13.33 Favored 'Trans proline' 0 C--N 1.357 1.014 0 C-N-CA 121.972 1.781 . . . . 10.0 113.522 -179.289 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 367' ' ' ALA . . . . . 0.66 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -63.11 -54.09 43.29 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.626 0.232 . . . . 10.0 111.626 179.764 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 11.9 mt -58.19 -40.1 80.65 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 111.696 0.258 . . . . 10.0 111.696 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 56.8 tt0 -64.73 -51.12 64.06 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.98 -0.378 . . . . 10.0 109.98 179.404 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -59.12 -36.7 75.66 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.088 0.471 . . . . 10.0 109.743 179.426 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 61.3 mt -63.07 -52.8 61.32 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.752 -0.658 . . . . 10.0 109.867 178.27 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -62.27 -41.23 98.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.051 -0.522 . . . . 10.0 111.447 -179.636 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -62.06 -31.11 71.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.947 0.403 . . . . 10.0 110.972 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -89.66 -32.75 9.8 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.699 -0.762 . . . . 10.0 111.596 179.114 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 20.7 mt -68.0 -35.41 78.27 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.785 0.291 . . . . 10.0 111.785 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 376' ' ' LEU . . . . . 0.534 ' O ' ' HG3' ' A' ' 380' ' ' GLU . 31.4 mt -52.35 -61.02 5.07 Favored Pre-proline 0 CA--C 1.535 0.4 0 N-CA-C 112.075 0.398 . . . . 10.0 112.075 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -61.66 -35.71 79.03 Favored 'Trans proline' 0 C--N 1.359 1.093 0 C-N-CA 121.71 1.607 . . . . 10.0 111.872 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 35.8 t -61.69 -45.15 99.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 N-CA-C 109.85 -0.426 . . . . 10.0 109.85 179.098 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 87.4 mt -62.42 -35.4 79.13 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 115.965 -0.562 . . . . 10.0 109.929 178.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 380' ' ' GLU . . . . . 0.534 ' HG3' ' O ' ' A' ' 376' ' ' LEU . 94.7 mt-10 -63.15 -47.51 82.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.029 179.163 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.38 -32.24 73.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.211 0.529 . . . . 10.0 110.03 179.036 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -64.3 -43.17 95.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.533 -0.758 . . . . 10.0 109.669 178.644 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -62.62 -40.49 97.13 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.187 179.196 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 384' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 380' ' ' GLU . 84.2 t -62.97 -48.03 89.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.786 179.499 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 2.5 p -68.88 -33.83 74.42 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.405 -0.361 . . . . 10.0 111.259 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 386' ' ' PHE . . . . . 0.403 ' O ' ' HG ' ' A' ' 390' ' ' LEU . 3.0 m-85 -71.0 -44.56 65.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.591 -0.277 . . . . 10.0 111.056 179.368 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 387' ' ' LEU . . . . . 0.532 ' O ' ' HG3' ' A' ' 391' ' ' GLU . 34.8 mt -60.02 -45.04 94.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.356 -0.384 . . . . 10.0 110.58 179.595 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 388' ' ' SER . . . . . 0.581 ' HB2' ' HE2' ' D' ' 594' ' ' LYS . 3.2 p -67.59 -35.97 79.99 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.65 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -63.55 -42.94 98.34 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.429 -0.35 . . . . 10.0 110.071 179.042 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 390' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 386' ' ' PHE . 96.6 mt -61.3 -37.07 81.87 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.079 0.466 . . . . 10.0 109.832 179.014 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 391' ' ' GLU . . . . . 0.532 ' HG3' ' O ' ' A' ' 387' ' ' LEU . 56.2 mt-10 -68.91 -44.46 73.11 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.242 -0.651 . . . . 10.0 109.242 178.228 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -54.99 -40.97 70.65 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.844 179.315 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -66.59 -53.99 28.33 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.236 179.078 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 23.2 m -60.46 -40.44 91.21 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 112.218 0.451 . . . . 10.0 112.218 -179.377 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -62.44 -28.61 69.93 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 112.94 0.719 . . . . 10.0 112.94 -179.174 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 396' ' ' LYS . . . . . 0.589 ' HE2' ' HA ' ' D' ' 587' ' ' ALA . 13.5 mptt -108.29 -21.09 12.91 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 113.472 0.916 . . . . 10.0 113.472 -178.722 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 39.6 mt -94.25 -14.76 25.17 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.064 0.394 . . . . 10.0 112.064 -179.436 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 63.3 t30 . . . . . 0 C--N 1.324 -0.514 0 CA-C-O 120.82 0.343 . . . . 10.0 110.783 179.986 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' D' D ' 399' ' ' LEU . . . . . 0.408 ' HA ' HD13 ' D' ' 399' ' ' LEU . 3.4 mm? . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.947 0.403 . . . . 10.0 110.716 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -112.96 26.29 10.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.326 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 67.5 mt -63.07 -45.23 93.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.004 -0.544 . . . . 10.0 111.096 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 54.8 mt -66.63 -35.66 80.7 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.213 -0.449 . . . . 10.0 110.584 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -61.4 -48.91 79.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.432 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -72.5 -39.52 67.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.903 -0.59 . . . . 10.0 111.095 -179.655 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -64.59 -37.34 87.22 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.988 -179.607 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -61.04 -36.77 80.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.422 -0.354 . . . . 10.0 110.977 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.42 -39.58 94.88 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 108.915 -0.772 . . . . 10.0 108.915 178.72 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 30.7 t -68.06 -36.31 74.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 CA-C-N 115.442 -0.799 . . . . 10.0 109.483 179.055 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 9.0 m -63.38 -38.45 91.21 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 109.275 -0.639 . . . . 10.0 109.275 178.606 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 16.6 m -65.77 -42.35 90.93 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.988 -0.551 . . . . 10.0 109.519 178.336 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 411' ' ' THR . . . . . 0.473 ' O ' ' HG ' ' D' ' 415' ' ' LEU . 26.8 m -64.18 -39.27 93.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.099 -0.501 . . . . 10.0 110.23 178.648 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -61.74 -41.32 97.51 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.313 -0.625 . . . . 10.0 109.313 178.615 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 413' ' ' SER . . . . . 0.446 ' O ' ' HG3' ' D' ' 417' ' ' GLU . 41.5 m -65.44 -40.86 93.79 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.458 -0.792 . . . . 10.0 110.059 178.804 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 414' ' ' LYS . . . . . 0.59 ' HE3' ' OE2' ' A' ' 362' ' ' GLU . 51.8 mmtt -65.14 -32.33 73.96 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-O 121.028 0.442 . . . . 10.0 110.385 178.803 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 415' ' ' LEU . . . . . 0.596 ' O ' ' HG ' ' D' ' 419' ' ' LEU . 85.2 mt -65.94 -39.56 90.58 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 108.747 -0.834 . . . . 10.0 108.747 178.131 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 70.5 mtt180 -69.64 -35.95 75.67 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.816 -0.629 . . . . 10.0 109.92 179.265 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 417' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' D' ' 413' ' ' SER . 19.2 mt-10 -64.78 -21.58 66.8 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.98 -0.554 . . . . 10.0 109.717 178.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -89.23 -44.55 10.2 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.492 -0.929 . . . . 10.0 108.492 177.268 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 419' ' ' LEU . . . . . 0.596 ' HG ' ' O ' ' D' ' 415' ' ' LEU . 82.5 mt -48.32 -55.2 11.29 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 115.329 -0.851 . . . . 10.0 111.949 -179.637 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -47.87 -71.72 0.53 Allowed Glycine 0 CA--C 1.523 0.554 0 O-C-N 123.493 0.496 . . . . 10.0 113.738 -179.395 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 421' ' ' PRO . . . . . 0.515 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 34.2 Cg_exo -58.97 -45.18 29.87 Favored 'Trans proline' 0 CA--C 1.532 0.398 0 C-N-CA 122.838 2.359 . . . . 10.0 113.035 179.707 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 51.9 t -60.38 -46.88 94.45 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.201 0 N-CA-C 112.934 0.716 . . . . 10.0 112.934 -178.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 28.6 p -61.59 -40.25 94.11 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.726 -0.39 . . . . 10.0 111.181 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -58.85 -51.57 69.43 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.021 0.439 . . . . 10.0 110.52 179.493 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 425' ' ' GLU . . . . . 0.515 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 8.7 pt-20 -72.38 -29.47 63.79 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.552 -0.459 . . . . 10.0 111.433 179.551 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 426' ' ' PHE . . . . . 0.499 ' O ' ' HG ' ' D' ' 430' ' ' LEU . 30.4 t80 -67.87 -41.31 83.05 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 109.545 -0.539 . . . . 10.0 109.545 178.573 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 6.3 m0 -62.26 -49.09 77.08 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 115.858 -0.61 . . . . 10.0 109.426 178.265 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 428' ' ' ASP . . . . . 0.451 ' O ' ' HG3' ' D' ' 432' ' ' LYS . 35.2 t70 -62.87 -35.09 78.86 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.603 -0.518 . . . . 10.0 109.603 178.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -63.84 -46.28 85.74 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 108.914 -0.772 . . . . 10.0 108.914 177.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 430' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' D' ' 426' ' ' PHE . 95.6 mt -65.15 -36.38 84.05 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.595 -0.729 . . . . 10.0 110.191 179.065 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -62.74 -37.57 87.09 Favored 'General case' 0 CA--C 1.521 -0.15 0 N-CA-C 110.094 -0.335 . . . . 10.0 110.094 178.709 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 432' ' ' LYS . . . . . 0.451 ' HG3' ' O ' ' D' ' 428' ' ' ASP . 42.6 mttp -64.7 -35.93 82.63 Favored 'General case' 0 CA--C 1.519 -0.215 0 N-CA-C 108.817 -0.809 . . . . 10.0 108.817 177.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -69.54 -47.89 62.22 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.356 -0.838 . . . . 10.0 110.629 179.231 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.76 -42.99 99.94 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 121.017 -0.273 . . . . 10.0 110.682 179.496 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 435' ' ' GLU . . . . . 0.523 ' O ' ' HG3' ' D' ' 439' ' ' GLN . 12.0 mm-40 -65.6 -44.83 85.4 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.595 -0.275 . . . . 10.0 110.338 178.797 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 436' ' ' GLY . . . . . 0.504 ' O ' ' HG3' ' D' ' 440' ' ' GLU . . . -62.14 -44.91 97.08 Favored Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 110.409 -1.076 . . . . 10.0 110.409 178.613 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 10.5 mt -61.2 -38.11 85.39 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.736 -0.468 . . . . 10.0 109.736 178.799 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 55.4 mtt180 -66.52 -31.23 71.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.523 -0.308 . . . . 10.0 111.014 179.487 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 439' ' ' GLN . . . . . 0.523 ' HG3' ' O ' ' D' ' 435' ' ' GLU . 96.0 mt-30 -68.65 -29.82 68.38 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-O 121.278 0.561 . . . . 10.0 109.666 178.433 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 440' ' ' GLU . . . . . 0.53 ' OE1' ' HD3' ' A' ' 334' ' ' ARG . 24.9 mt-10 -85.93 -49.2 8.04 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.515 -0.766 . . . . 10.0 110.032 179.108 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 97.9 mmm -60.39 -29.82 69.19 Favored 'General case' 0 CA--C 1.522 -0.125 0 CA-C-N 115.639 -0.709 . . . . 10.0 112.775 -178.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 3.0 p -62.93 -56.68 15.09 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.026 -0.731 . . . . 10.0 109.026 178.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 59.1 tttp -63.26 -39.83 95.7 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.57 -0.741 . . . . 10.0 109.497 178.779 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 444' ' ' ASP . . . . . 0.713 ' O ' ' HB ' ' D' ' 448' ' ' VAL . 12.0 t0 -58.08 -53.89 53.14 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.496 -0.774 . . . . 10.0 111.671 -179.673 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 445' ' ' LEU . . . . . 0.5 ' O ' HG12 ' D' ' 448' ' ' VAL . 67.7 mt -73.08 -44.0 61.1 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 113.339 0.866 . . . . 10.0 113.339 -178.604 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -64.75 -43.14 94.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.854 0.359 . . . . 10.0 111.326 -179.147 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 447' ' ' GLU . . . . . 0.586 ' HB3' HH21 ' A' ' 330' ' ' ARG . 31.1 tt0 -75.73 -29.06 58.77 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.459 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 448' ' ' VAL . . . . . 0.713 ' HB ' ' O ' ' D' ' 444' ' ' ASP . 0.3 OUTLIER -63.64 -28.33 44.77 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.194 0 CA-C-O 120.767 0.317 . . . . 10.0 110.184 179.421 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -64.29 -42.43 96.39 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 108.263 -1.014 . . . . 10.0 108.263 178.138 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -81.42 7.49 11.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.496 -0.775 . . . . 10.0 110.571 179.448 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 451' ' ' LYS . . . . . 0.526 ' O ' ' HB2' ' D' ' 455' ' ' TYR . 48.9 mttm -113.89 -45.7 3.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.365 179.33 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 87.3 t -69.38 -35.91 69.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 CA-C-N 116.152 -0.476 . . . . 10.0 111.04 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -58.92 -59.2 14.58 Favored Pre-proline 0 C--N 1.325 -0.468 0 N-CA-C 112.231 0.456 . . . . 10.0 112.231 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -67.33 -23.17 44.91 Favored 'Trans proline' 0 C--N 1.356 0.962 0 C-N-CA 121.952 1.768 . . . . 10.0 110.979 178.621 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 455' ' ' TYR . . . . . 0.526 ' HB2' ' O ' ' D' ' 451' ' ' LYS . 55.2 t80 -68.62 -51.65 39.99 Favored 'General case' 0 CA--C 1.516 -0.347 0 N-CA-C 109.107 -0.701 . . . . 10.0 109.107 179.266 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 44.3 mt -68.28 -27.88 66.71 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.622 -0.717 . . . . 10.0 110.423 179.294 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -68.59 -50.75 49.18 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.482 -0.562 . . . . 10.0 109.482 178.484 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 458' ' ' ASP . . . . . 0.61 ' HA ' ' HD2' ' D' ' 461' ' ' LYS . 33.0 t70 -63.83 -37.76 88.58 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 121.286 0.565 . . . . 10.0 109.584 178.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -67.85 -39.91 83.76 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.736 -0.665 . . . . 10.0 110.114 178.443 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -65.16 -37.92 88.9 Favored 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 109.468 -0.567 . . . . 10.0 109.468 178.52 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 461' ' ' LYS . . . . . 0.61 ' HD2' ' HA ' ' D' ' 458' ' ' ASP . 64.9 mttt -58.37 -46.33 86.55 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.817 -0.808 . . . . 10.0 108.817 178.003 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 10.8 mtmm -65.87 -38.83 89.83 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.287 -0.87 . . . . 10.0 110.271 178.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 24.6 m0 -65.92 -39.31 90.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.362 -0.381 . . . . 10.0 110.073 178.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -63.53 -47.45 81.59 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 108.384 -0.969 . . . . 10.0 108.384 178.122 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 465' ' ' GLU . . . . . 0.504 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 44.1 mt-10 -58.73 -49.75 76.46 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.424 -0.807 . . . . 10.0 109.897 178.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -45.14 94.32 Favored 'General case' 0 C--N 1.331 -0.214 0 O-C-N 123.453 0.471 . . . . 10.0 111.637 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 58.2 mtm -61.03 -41.15 96.03 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.813 -0.44 . . . . 10.0 109.813 178.701 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -68.06 -42.21 80.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 10.0 109.756 178.471 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 469' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' D' ' 465' ' ' GLU . 64.9 mt -61.56 -44.3 97.29 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.138 179.732 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 20.1 m-30 -61.5 -32.75 72.79 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.697 179.132 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 471' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' D' ' 471' ' ' ARG . 45.1 mtt180 -71.08 -24.73 62.37 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.381 -0.372 . . . . 10.0 110.147 178.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -102.94 3.26 36.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.919 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 473' ' ' LYS . . . . . 0.439 ' HE2' ' HB3' ' D' ' 469' ' ' LEU . 51.6 mttm -127.18 -75.51 0.58 Allowed 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 116.117 -0.492 . . . . 10.0 111.19 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 46.0 t -57.71 -43.36 83.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 N-CA-C 111.851 0.315 . . . . 10.0 111.851 -179.412 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -59.85 -59.38 14.02 Favored Pre-proline 0 CA--C 1.537 0.459 0 N-CA-C 112.977 0.732 . . . . 10.0 112.977 -179.665 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -64.56 -35.75 46.5 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 121.605 1.537 . . . . 10.0 111.173 178.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 21.5 mt -66.98 -27.61 67.58 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 116.469 -0.332 . . . . 10.0 110.763 179.204 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 478' ' ' ARG . . . . . 0.502 ' O ' ' HB2' ' D' ' 482' ' ' GLN . 9.6 ttt180 -62.4 -41.3 98.57 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.995 -0.743 . . . . 10.0 108.995 178.613 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -75.18 -36.61 61.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.584 -0.735 . . . . 10.0 110.084 179.07 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -65.67 -45.83 81.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.978 -0.555 . . . . 10.0 109.607 179.222 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 90.6 mt -70.96 -30.17 66.38 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.959 -0.564 . . . . 10.0 109.638 178.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 482' ' ' GLN . . . . . 0.502 ' HB2' ' O ' ' D' ' 478' ' ' ARG . 47.4 tp60 -66.2 -43.39 86.88 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 109.327 -0.62 . . . . 10.0 109.327 178.649 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -63.56 -41.42 98.41 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 108.548 -0.908 . . . . 10.0 108.548 178.484 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -66.02 -38.41 94.06 Favored Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 110.623 -0.991 . . . . 10.0 110.623 178.506 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -65.99 -39.72 90.57 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.434 -0.58 . . . . 10.0 109.434 178.615 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 75.2 mtt180 -64.44 -43.98 92.6 Favored 'General case' 0 CA--C 1.514 -0.406 0 N-CA-C 108.335 -0.987 . . . . 10.0 108.335 178.159 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 487' ' ' GLN . . . . . 0.41 ' O ' ' HG3' ' D' ' 491' ' ' GLU . 14.9 mm100 -59.81 -45.13 93.31 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.353 -0.84 . . . . 10.0 109.859 178.144 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 63.8 tttt -66.52 -38.23 86.74 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-N 116.422 -0.354 . . . . 10.0 110.44 179.121 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.31 -41.69 98.97 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 108.468 -0.938 . . . . 10.0 108.468 178.338 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -62.67 -44.06 97.22 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 108.82 -0.807 . . . . 10.0 108.82 177.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 491' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' D' ' 487' ' ' GLN . 37.7 mt-10 -59.88 -44.78 94.0 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.794 -0.639 . . . . 10.0 109.331 178.503 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 89.3 mt -68.4 -38.33 81.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.518 -0.765 . . . . 10.0 111.32 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -61.98 -38.3 88.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.302 0.572 . . . . 10.0 109.612 178.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -73.95 4.88 4.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.399 -0.819 . . . . 10.0 110.988 178.767 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 495' ' ' LYS . . . . . 0.758 ' HE3' HD22 ' A' ' 279' ' ' LEU . 49.6 mttp -121.13 -46.87 2.29 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.643 -0.708 . . . . 10.0 109.754 178.812 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 496' ' ' LEU . . . . . 0.491 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 18.9 mt -61.05 -25.46 66.94 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.161 -0.472 . . . . 10.0 111.807 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 497' ' ' SER . . . . . 0.543 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 1.9 m -81.06 -64.5 0.28 Allowed Pre-proline 0 CA--C 1.542 0.66 0 C-N-CA 120.748 -0.381 . . . . 10.0 111.698 179.348 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 498' ' ' PRO . . . . . 0.543 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 33.2 Cg_endo -66.01 -49.08 2.27 Favored 'Trans proline' 0 C--N 1.357 1.012 0 C-N-CA 121.907 1.738 . . . . 10.0 112.474 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 499' ' ' LEU . . . . . 0.579 ' HB2' ' O ' ' D' ' 495' ' ' LYS . 40.7 mt -71.86 -29.11 64.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.823 0.344 . . . . 10.0 110.09 179.559 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 500' ' ' GLY . . . . . 0.491 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -64.79 -51.8 48.28 Favored Glycine 0 N--CA 1.448 -0.507 0 N-CA-C 109.905 -1.278 . . . . 10.0 109.905 178.596 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 501' ' ' GLU . . . . . 0.438 ' HA ' ' HD2' ' D' ' 504' ' ' ARG . 20.2 mt-10 -65.63 -32.97 74.83 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 109.722 -0.473 . . . . 10.0 109.722 178.377 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 502' ' ' GLU . . . . . 0.56 ' HG2' ' HE ' ' D' ' 506' ' ' ARG . 28.5 tt0 -65.4 -46.64 79.24 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.798 -0.637 . . . . 10.0 109.92 179.301 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 503' ' ' MET . . . . . 0.408 ' HA ' ' HD2' ' D' ' 506' ' ' ARG . 89.2 mmm -61.99 -36.93 82.98 Favored 'General case' 0 CA--C 1.52 -0.182 0 N-CA-C 109.286 -0.635 . . . . 10.0 109.286 178.773 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 504' ' ' ARG . . . . . 0.438 ' HD2' ' HA ' ' D' ' 501' ' ' GLU . 87.2 mtt180 -63.68 -44.58 93.3 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-N 115.61 -0.723 . . . . 10.0 109.222 177.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 505' ' ' ASP . . . . . 0.498 ' HA ' ' HD2' ' D' ' 508' ' ' ARG . 0.5 OUTLIER -64.16 -42.82 96.59 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.275 179.069 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' D' D ' 506' ' ' ARG . . . . . 0.56 ' HE ' ' HG2' ' D' ' 502' ' ' GLU . 56.4 mtt180 -59.09 -48.14 82.68 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 108.801 -0.814 . . . . 10.0 108.801 178.14 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -60.69 -40.1 90.93 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.669 -0.696 . . . . 10.0 110.309 179.303 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 508' ' ' ARG . . . . . 0.498 ' HD2' ' HA ' ' D' ' 505' ' ' ASP . 78.3 mtt180 -59.04 -45.94 89.47 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.501 -0.555 . . . . 10.0 109.501 178.734 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 509' ' ' ALA . . . . . 0.602 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -63.58 -38.41 91.01 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.353 -0.84 . . . . 10.0 110.955 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 510' ' ' HIS . . . . . 0.524 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 68.2 m-70 -70.34 -48.22 57.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.44 -0.346 . . . . 10.0 110.513 179.321 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 70.8 t -63.12 -45.21 99.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.361 -0.382 . . . . 10.0 110.744 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 512' ' ' ASP . . . . . 0.413 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 29.0 t70 -62.27 -37.2 84.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.086 0.47 . . . . 10.0 110.671 179.617 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -66.63 -42.06 87.32 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.842 -0.799 . . . . 10.0 108.842 178.239 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 514' ' ' LEU . . . . . 0.535 ' HA ' ' HB2' ' D' ' 517' ' ' HIS . 97.8 mt -60.48 -26.21 66.63 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.638 179.123 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 515' ' ' ARG . . . . . 0.498 ' O ' ' HD3' ' D' ' 520' ' ' PRO . 76.7 mtt180 -68.56 -24.12 64.58 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.926 -0.398 . . . . 10.0 109.926 178.654 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -108.2 -4.76 17.31 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.349 0.595 . . . . 10.0 109.981 179.37 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 517' ' ' HIS . . . . . 0.535 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 27.4 m170 -105.41 -69.37 0.82 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.678 -0.692 . . . . 10.0 111.562 -179.473 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 38.1 mt -74.3 -46.19 42.65 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.858 0.688 . . . . 10.0 112.858 -178.468 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 519' ' ' ALA . . . . . 0.631 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -54.29 -57.92 16.19 Favored Pre-proline 0 N--CA 1.467 0.388 0 N-CA-C 113.235 0.828 . . . . 10.0 113.235 -179.122 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 520' ' ' PRO . . . . . 0.631 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 32.5 Cg_exo -64.16 -34.98 55.14 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 121.937 1.758 . . . . 10.0 110.904 179.251 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 521' ' ' TYR . . . . . 0.503 ' HB2' ' O ' ' D' ' 517' ' ' HIS . 12.4 t80 -65.0 -32.18 73.78 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.021 179.177 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 522' ' ' SER . . . . . 0.513 ' O ' ' HG3' ' D' ' 526' ' ' ARG . 41.8 m -65.94 -34.02 77.15 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 109.162 -0.681 . . . . 10.0 109.162 178.62 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 523' ' ' ASP . . . . . 0.581 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 34.4 t70 -71.91 -41.18 68.22 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-N 115.698 -0.683 . . . . 10.0 109.308 178.664 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -67.16 -32.23 73.18 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 109.146 -0.687 . . . . 10.0 109.146 178.116 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 22.6 mt -67.04 -34.01 76.76 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-N 115.63 -0.714 . . . . 10.0 109.368 177.666 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 526' ' ' ARG . . . . . 0.581 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 72.8 mtt180 -62.46 -37.72 87.04 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.076 -0.511 . . . . 10.0 109.839 178.589 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -63.06 -39.78 95.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.536 0.684 . . . . 10.0 109.796 179.467 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 528' ' ' ARG . . . . . 0.558 ' HB3' ' OE1' ' A' ' 242' ' ' GLU . 80.2 mtt180 -75.03 -48.12 25.61 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.014 -0.994 . . . . 10.0 110.223 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 69.7 mt -58.38 -37.77 75.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.924 179.574 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -61.35 -40.69 95.21 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.892 0.377 . . . . 10.0 110.076 178.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -70.8 -43.45 68.64 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.011 -0.54 . . . . 10.0 109.728 179.335 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 532' ' ' ARG . . . . . 0.595 ' O ' ' HG ' ' D' ' 536' ' ' LEU . 10.5 ttm180 -59.52 -47.14 86.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.438 -0.801 . . . . 10.0 110.02 179.365 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 71.6 mt -67.31 -36.49 81.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.901 -0.591 . . . . 10.0 110.665 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -62.13 -45.79 91.91 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 109.483 -0.562 . . . . 10.0 109.483 179.395 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -63.58 -39.36 94.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.55 -0.75 . . . . 10.0 109.461 178.76 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 536' ' ' LEU . . . . . 0.595 ' HG ' ' O ' ' D' ' 532' ' ' ARG . 54.0 mt -66.48 -34.44 77.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.855 -0.611 . . . . 10.0 110.815 179.689 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -74.46 -42.3 59.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.649 179.467 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -64.3 -44.32 92.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.526 0.679 . . . . 10.0 109.564 179.189 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -70.94 -34.59 71.62 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.615 -0.72 . . . . 10.0 109.549 178.633 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -66.66 -46.55 74.96 Favored Glycine 0 CA--C 1.508 -0.38 0 N-CA-C 111.283 -0.727 . . . . 10.0 111.283 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -59.41 -38.85 94.05 Favored Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 110.606 -0.998 . . . . 10.0 110.606 178.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -69.09 -45.09 71.14 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.4 -0.593 . . . . 10.0 109.4 178.338 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 56.5 mtt85 -63.51 -29.66 70.9 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 115.871 -0.604 . . . . 10.0 111.4 179.355 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 544' ' ' LEU . . . . . 0.415 ' O ' ' HB2' ' D' ' 548' ' ' HIS . 61.3 mt -66.64 -29.66 69.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.443 0.64 . . . . 10.0 109.354 178.485 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -81.1 -42.9 20.26 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 108.411 -0.959 . . . . 10.0 108.411 178.119 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -61.19 -47.37 86.46 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.523 -0.762 . . . . 10.0 109.668 178.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -62.83 -40.65 98.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.35 179.266 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 548' ' ' HIS . . . . . 0.415 ' HB2' ' O ' ' D' ' 544' ' ' LEU . 1.3 t-80 -63.92 -43.25 96.47 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.435 -0.58 . . . . 10.0 109.435 178.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 549' ' ' ALA . . . . . 0.634 ' O ' ' HG3' ' D' ' 553' ' ' GLU . . . -64.01 -49.76 71.18 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.438 -0.801 . . . . 10.0 109.093 178.454 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.09 -40.43 85.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.996 179.68 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -63.2 -37.42 87.16 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.342 -0.614 . . . . 10.0 109.342 178.542 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 42.9 m -67.39 -47.49 70.17 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.889 -0.782 . . . . 10.0 108.889 178.644 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 553' ' ' GLU . . . . . 0.634 ' HG3' ' O ' ' D' ' 549' ' ' ALA . 31.6 mt-10 -60.29 -40.72 91.46 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.813 -0.63 . . . . 10.0 110.386 179.276 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 79.5 t60 -68.46 -41.64 79.91 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.749 -0.66 . . . . 10.0 109.86 179.445 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 20.8 tp -62.97 -40.27 97.2 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.307 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 1.2 p -65.0 -38.73 91.92 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.586 -0.279 . . . . 10.0 110.495 179.288 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 3.8 p -75.43 -31.31 60.31 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 120.855 0.359 . . . . 10.0 110.591 178.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 558' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' D' ' 558' ' ' LEU . 14.3 mt -62.8 -52.14 64.33 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 115.894 -0.594 . . . . 10.0 109.858 179.379 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 3.8 p -66.58 -35.63 80.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.447 . . . . 10.0 110.567 179.592 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -60.61 -32.24 71.38 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.488 -0.778 . . . . 10.0 111.287 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.06 -34.39 10.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.429 . . . . 10.0 111.721 -179.729 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -58.02 -45.05 87.53 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.918 0.34 . . . . 10.0 111.918 -179.412 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -55.44 -62.39 4.53 Favored Pre-proline 0 CA--C 1.533 0.311 0 N-CA-C 112.473 0.546 . . . . 10.0 112.473 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -63.76 -34.42 61.82 Favored 'Trans proline' 0 C--N 1.354 0.861 0 C-N-CA 121.832 1.688 . . . . 10.0 111.913 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -62.47 -52.82 61.99 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 120.593 0.235 . . . . 10.0 110.399 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 86.5 mt -59.72 -46.55 88.76 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.363 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -58.57 -53.42 58.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.981 -0.554 . . . . 10.0 111.353 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.8 -40.64 97.12 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.17 -0.468 . . . . 10.0 111.396 -179.422 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 38.3 mt -60.58 -44.25 96.41 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 110.081 -0.34 . . . . 10.0 110.081 179.128 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 -68.37 -41.83 80.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.857 0.36 . . . . 10.0 110.045 179.17 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -62.32 -23.72 66.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.767 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 572' ' ' GLY . . . . . 0.495 ' O ' ' HB ' ' D' ' 576' ' ' VAL . . . -96.14 -32.7 6.61 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.8 -0.714 . . . . 10.0 111.63 178.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 573' ' ' LEU . . . . . 0.436 ' HA ' HG12 ' D' ' 576' ' ' VAL . 34.9 mt -66.29 -40.76 90.26 Favored 'General case' 0 C--O 1.224 -0.254 0 C-N-CA 122.413 0.285 . . . . 10.0 111.609 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 574' ' ' LEU . . . . . 0.516 ' O ' ' HG2' ' D' ' 578' ' ' GLU . 92.2 mt -55.64 -61.19 6.64 Favored Pre-proline 0 CA--C 1.536 0.426 0 N-CA-C 112.071 0.397 . . . . 10.0 112.071 179.51 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -64.79 -37.94 32.96 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 121.851 1.701 . . . . 10.0 111.754 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 576' ' ' VAL . . . . . 0.495 ' HB ' ' O ' ' D' ' 572' ' ' GLY . 0.3 OUTLIER -64.64 -37.16 79.38 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 C-N-CA 121.306 -0.158 . . . . 10.0 111.227 -179.862 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 29.5 mt -68.65 -39.9 80.47 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 109.477 -0.564 . . . . 10.0 109.477 178.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 578' ' ' GLU . . . . . 0.576 ' HA ' ' HD2' ' D' ' 581' ' ' LYS . 23.1 mm-40 -65.12 -40.27 94.24 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.295 -0.631 . . . . 10.0 109.295 178.471 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 20.0 m -65.99 -43.96 86.25 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.209 -0.663 . . . . 10.0 109.209 178.58 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -60.07 -38.47 82.97 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.809 -0.632 . . . . 10.0 110.025 178.693 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 581' ' ' LYS . . . . . 0.576 ' HD2' ' HA ' ' D' ' 578' ' ' GLU . 91.4 mttt -57.67 -43.78 85.27 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.479 -0.563 . . . . 10.0 109.479 178.299 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 88.2 t -61.58 -43.69 97.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.765 -0.652 . . . . 10.0 110.207 179.124 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 1.1 m -65.07 -43.5 92.0 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.471 179.219 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -66.53 -48.05 70.98 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.128 -0.487 . . . . 10.0 111.027 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 16.1 mt -56.09 -47.82 77.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.242 -0.435 . . . . 10.0 111.305 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 11.0 p -67.26 -41.4 85.6 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.386 -0.37 . . . . 10.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 587' ' ' ALA . . . . . 0.589 ' HA ' ' HE2' ' A' ' 396' ' ' LYS . . . -62.72 -53.26 57.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.732 179.746 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 73.5 mt -60.7 -43.01 98.29 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.023 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 589' ' ' GLU . . . . . 0.502 ' O ' ' HG3' ' D' ' 593' ' ' LYS . 13.4 tt0 -58.25 -53.97 52.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.338 -0.392 . . . . 10.0 110.868 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -67.76 -35.29 78.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.26 -0.427 . . . . 10.0 111.759 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -59.37 -43.45 92.87 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-O 121.021 0.438 . . . . 10.0 110.109 179.03 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 7.4 m -65.71 -19.42 65.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.683 -0.69 . . . . 10.0 110.985 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 593' ' ' LYS . . . . . 0.502 ' HG3' ' O ' ' D' ' 589' ' ' GLU . 82.3 mttt -90.6 -36.71 14.26 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.223 -0.444 . . . . 10.0 109.973 179.273 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 594' ' ' LYS . . . . . 0.581 ' HE2' ' HB2' ' A' ' 388' ' ' SER . 8.9 mptt -75.36 -20.63 58.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.715 -0.675 . . . . 10.0 110.618 179.603 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 72.2 mt -120.17 32.79 5.86 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.688 -0.687 . . . . 10.0 109.234 178.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 . . . . . 0 C--N 1.324 -0.525 0 CA-C-N 115.42 -0.809 . . . . 10.0 111.26 -179.02 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 15.0 m . . . . . 0 C--O 1.232 0.158 0 CA-C-O 121.076 0.465 . . . . 10.0 110.507 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -102.38 157.41 16.93 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.292 -0.632 . . . . 10.0 109.292 179.561 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -130.66 122.74 27.92 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.685 -0.487 . . . . 10.0 109.685 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 99.8 m-85 -121.35 118.89 30.61 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.931 0.396 . . . . 10.0 111.302 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.423 ' HD3' HG22 ' B' ' 74' ' ' THR . 48.4 mttm -85.57 118.37 25.05 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.884 -0.598 . . . . 10.0 109.954 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.477 ' O ' ' HA ' ' B' ' 55' ' ' ILE . 12.0 mt -118.22 122.59 43.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.357 -0.383 . . . . 10.0 111.098 -178.326 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 59.3 t -108.68 123.68 64.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 116.436 -0.347 . . . . 10.0 110.191 179.346 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.656 HG12 ' HD2' ' B' ' 16' ' ' LYS . 6.3 t -90.39 107.44 18.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 110.02 -0.363 . . . . 10.0 110.02 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 5.9 m -108.61 152.99 10.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.506 -179.334 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 152.75 -172.42 31.83 Favored Glycine 0 N--CA 1.445 -0.759 0 CA-C-N 115.526 -0.761 . . . . 10.0 111.446 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.94 -167.04 1.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.099 0.476 . . . . 10.0 111.543 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.5 144.46 30.91 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.846 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.24 3.22 85.24 Favored Glycine 0 N--CA 1.455 -0.099 0 CA-C-N 115.983 -0.553 . . . . 10.0 113.27 179.528 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.461 HG12 ' HB2' ' B' ' 83' ' ' ALA . 26.8 m -76.43 -19.84 15.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.692 0.282 . . . . 10.0 111.56 -179.447 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 15' ' ' GLY . . . . . 0.652 ' O ' ' HG ' ' B' ' 19' ' ' LEU . . . 107.8 19.88 8.85 Favored Glycine 0 C--N 1.33 0.216 0 C-N-CA 120.478 -0.868 . . . . 10.0 114.117 178.452 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 16' ' ' LYS . . . . . 0.656 ' HD2' HG12 ' B' ' 8' ' ' VAL . 1.2 mtmp? -58.52 -34.68 71.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.147 0.499 . . . . 10.0 111.109 179.768 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 3.4 m -81.42 -42.59 20.16 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.978 -0.556 . . . . 10.0 110.085 179.426 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.42 -44.18 76.01 Favored 'General case' 0 C--O 1.234 0.278 0 O-C-N 123.57 0.544 . . . . 10.0 111.066 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.743 HD23 ' HB2' ' B' ' 146' ' ' ALA . 57.4 mt -64.75 -49.12 72.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.046 -0.525 . . . . 10.0 111.135 179.748 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 21.8 m -61.72 -42.96 99.65 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.324 -0.398 . . . . 10.0 111.936 -179.563 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.83 -31.46 53.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.989 0.423 . . . . 10.0 111.221 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' GLN . . . . . 0.437 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 5.2 mm-40 -72.17 -14.5 61.83 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.355 -0.384 . . . . 10.0 111.165 179.191 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 17.6 tp -98.06 -40.33 8.48 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.977 0.418 . . . . 10.0 110.844 179.428 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 37.1 mm -77.21 -77.1 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.368 -179.446 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -77.01 -18.76 57.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.82 0.343 . . . . 10.0 111.074 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' ASN . . . . . 0.437 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 16.5 m-80 66.22 41.17 3.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.885 -0.598 . . . . 10.0 112.564 178.798 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -140.98 156.47 46.04 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.436 -0.347 . . . . 10.0 110.102 178.646 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -105.68 138.29 42.11 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.676 0.275 . . . . 10.0 111.482 -179.298 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 6.7 m -119.85 141.93 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.784 179.4 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -100.53 -8.51 23.01 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.444 0.64 . . . . 10.0 109.874 179.389 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -80.44 129.05 34.26 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.116 -0.947 . . . . 10.0 109.931 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -82.22 114.45 20.73 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.96 0.409 . . . . 10.0 110.922 -179.494 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -117.75 101.16 52.34 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.494 179.397 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -57.93 106.8 0.27 Allowed 'Trans proline' 0 C--O 1.234 0.282 0 C-N-CA 122.797 2.331 . . . . 10.0 111.358 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.2 114.73 26.08 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 115.764 -0.653 . . . . 10.0 109.885 -179.645 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 38.4 mm -79.68 -49.31 19.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.108 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 37' ' ' GLU . . . . . 0.669 ' HG2' HD11 ' B' ' 56' ' ' LEU . 5.7 tt0 -170.86 87.44 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.514 -0.766 . . . . 10.0 109.188 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -123.5 139.28 54.17 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.566 -0.288 . . . . 10.0 110.791 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 39' ' ' SER . . . . . 0.402 ' HA ' ' O ' ' B' ' 55' ' ' ILE . 19.5 p -124.4 157.45 35.08 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 111.937 0.347 . . . . 10.0 111.937 -179.326 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -135.86 152.38 50.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.443 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -118.8 123.7 45.42 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.158 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 52.6 tttp -138.27 144.82 40.69 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.487 -0.324 . . . . 10.0 110.147 179.439 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 43' ' ' GLN . . . . . 0.487 ' HG2' HG22 ' B' ' 50' ' ' THR . 20.5 tt0 -109.44 123.41 49.32 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.409 -0.359 . . . . 10.0 110.159 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 44' ' ' VAL . . . . . 0.444 HG23 HG13 ' B' ' 46' ' ' ILE . 3.3 m -131.28 162.28 39.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.41 -0.359 . . . . 10.0 110.975 -179.474 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 2.5 m -104.65 56.22 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 121.289 0.566 . . . . 10.0 111.212 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 46' ' ' ILE . . . . . 0.665 HD13 ' HA ' ' B' ' 157' ' ' TYR . 20.3 mt -62.72 123.59 15.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.928 -0.578 . . . . 10.0 111.412 -179.711 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 47' ' ' ASP . . . . . 0.62 ' HA ' ' HB3' ' C' ' 128' ' ' LYS . 63.8 m-20 64.14 16.58 10.11 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.41 -0.814 . . . . 10.0 112.349 179.703 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.76 6.22 62.35 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.781 -0.723 . . . . 10.0 112.905 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -120.9 125.36 47.26 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.686 0.279 . . . . 10.0 110.843 179.754 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 50' ' ' THR . . . . . 0.487 HG22 ' HG2' ' B' ' 43' ' ' GLN . 0.2 OUTLIER -72.81 120.47 18.48 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.036 0.446 . . . . 10.0 110.204 179.366 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -136.55 153.19 51.06 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.495 -179.535 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 42.4 tp -98.03 129.43 44.89 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.922 -0.581 . . . . 10.0 109.691 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 19.9 mt -102.09 128.33 48.61 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.884 0.374 . . . . 10.0 111.537 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 54' ' ' ASP . . . . . 0.405 ' HB3' ' HA ' ' B' ' 5' ' ' LYS . 30.3 t70 -106.61 83.83 1.92 Allowed 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.005 -1.109 . . . . 10.0 108.005 177.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 55' ' ' ILE . . . . . 0.477 ' HA ' ' O ' ' B' ' 6' ' ' LEU . 61.3 mt -87.56 128.21 40.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.251 -178.481 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.669 HD11 ' HG2' ' B' ' 37' ' ' GLU . 27.3 tp -122.08 118.6 29.12 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.263 -0.426 . . . . 10.0 111.228 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -98.09 109.5 22.25 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-O 121.118 0.485 . . . . 10.0 110.016 178.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.14 176.68 5.99 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.917 -0.583 . . . . 10.0 111.014 -179.693 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -80.6 151.24 29.17 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.189 0.519 . . . . 10.0 111.924 -178.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -117.88 23.4 9.42 Favored Glycine 0 N--CA 1.45 -0.426 0 N-CA-C 110.32 -1.112 . . . . 10.0 110.32 179.058 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -89.56 3.49 52.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.418 -0.391 . . . . 10.0 111.132 -179.457 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.426 ' HB3' ' H ' ' B' ' 63' ' ' GLU . 27.5 mm-40 61.83 -159.77 0.31 Allowed 'General case' 0 C--O 1.234 0.284 0 O-C-N 123.328 0.393 . . . . 10.0 110.075 -178.335 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 63' ' ' GLU . . . . . 0.426 ' H ' ' HB3' ' B' ' 62' ' ' GLU . 0.6 OUTLIER 58.44 39.84 24.74 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.09 0.471 . . . . 10.0 110.266 179.709 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -145.17 41.56 1.27 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.866 -179.332 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.79 -47.06 77.77 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.49 0.552 . . . . 10.0 112.49 -179.358 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -74.75 -25.02 58.81 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.876 0.324 . . . . 10.0 111.876 -179.072 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 67' ' ' MET . . . . . 0.498 ' HG2' ' HE1' ' B' ' 71' ' ' TYR . 20.9 ttt -80.24 -41.18 25.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.981 0.42 . . . . 10.0 110.605 -179.763 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 68' ' ' ARG . . . . . 0.694 ' HA ' ' CZ ' ' B' ' 71' ' ' TYR . 11.0 ttp180 -62.31 -34.04 75.83 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.85 -0.614 . . . . 10.0 111.574 -179.511 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.29 2.39 4.84 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.021 -0.536 . . . . 10.0 112.288 -179.472 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -100.3 -67.25 0.86 Allowed 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 111.968 0.359 . . . . 10.0 111.968 -179.619 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 71' ' ' TYR . . . . . 0.694 ' CZ ' ' HA ' ' B' ' 68' ' ' ARG . 9.0 p90 -62.56 -18.8 62.83 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 112.919 0.711 . . . . 10.0 112.919 -178.758 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 19.7 mtt -66.13 -26.35 67.41 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-O 121.142 0.496 . . . . 10.0 110.394 179.069 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 -72.25 -43.12 64.8 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.19 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 74' ' ' THR . . . . . 0.423 HG22 ' HD3' ' B' ' 5' ' ' LYS . 0.2 OUTLIER -74.37 -40.26 62.21 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.891 -0.595 . . . . 10.0 111.973 -179.379 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -57.13 118.54 12.52 Favored Glycine 0 C--N 1.33 0.215 0 C-N-CA 121.177 -0.535 . . . . 10.0 113.826 -179.106 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -88.84 -38.06 14.89 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.24 0.543 . . . . 10.0 109.699 179.177 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 77' ' ' GLY . . . . . 0.407 ' HA3' HD11 ' B' ' 163' ' ' ILE . . . -121.33 130.53 8.2 Favored Glycine 0 N--CA 1.448 -0.564 0 N-CA-C 110.864 -0.894 . . . . 10.0 110.864 179.075 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 78' ' ' PHE . . . . . 0.466 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 73.3 m-85 -109.9 121.7 45.85 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.079 0.466 . . . . 10.0 111.522 -179.204 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.538 ' HB2' HD22 ' B' ' 159' ' ' LEU . 21.6 tp -103.5 101.32 11.2 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.819 -0.628 . . . . 10.0 109.634 179.308 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 80' ' ' CYS . . . . . 0.626 ' HB3' HD12 ' B' ' 93' ' ' ILE . 2.9 m -83.95 108.1 16.72 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.855 -179.548 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 40.8 t -103.79 124.06 57.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.611 -0.722 . . . . 10.0 110.43 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 34.6 p90 -124.23 163.44 21.59 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.108 179.543 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.673 ' HB3' ' HB3' ' B' ' 86' ' ' ASN . . . -101.93 124.5 47.65 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.859 -0.423 . . . . 10.0 109.859 179.643 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 29.3 pt -65.84 -15.5 18.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.829 0.347 . . . . 10.0 111.383 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 85' ' ' ASN . . . . . 0.415 ' OD1' ' HB1' ' B' ' 83' ' ' ALA . 19.3 p-10 -102.13 8.41 40.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.762 -0.654 . . . . 10.0 110.563 179.264 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.673 ' HB3' ' HB3' ' B' ' 83' ' ' ALA . 24.8 t-20 -134.96 103.75 5.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.024 0.44 . . . . 10.0 110.75 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.44 -39.93 85.18 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.596 0.591 . . . . 10.0 112.596 -179.304 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -53.87 -51.49 63.5 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.461 0.541 . . . . 10.0 112.461 -178.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 77.7 p -57.06 -40.56 77.07 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.962 0.727 . . . . 10.0 112.962 -179.009 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -66.57 -46.35 76.31 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.084 0.402 . . . . 10.0 112.084 -179.18 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -71.17 -31.71 68.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.857 0.36 . . . . 10.0 111.111 -179.667 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.6 -26.31 68.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.816 -0.629 . . . . 10.0 111.776 -179.336 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 93' ' ' ILE . . . . . 0.626 HD12 ' HB3' ' B' ' 80' ' ' CYS . 51.5 mm -55.68 -35.83 40.41 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.889 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -63.36 -41.92 98.86 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.22 -0.445 . . . . 10.0 110.344 179.401 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 74.7 m80 -63.67 -42.73 98.03 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.008 -0.542 . . . . 10.0 110.439 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 96' ' ' TYR . . . . . 0.426 ' O ' HG13 ' B' ' 100' ' ' ILE . 57.2 m-85 -63.46 -41.85 98.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.605 -0.725 . . . . 10.0 110.298 179.472 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -57.64 -47.69 81.54 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.815 -0.63 . . . . 10.0 111.849 -179.462 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -63.02 -36.25 82.95 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.576 -0.284 . . . . 10.0 111.455 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 99' ' ' GLN . . . . . 0.443 ' O ' HG23 ' B' ' 103' ' ' VAL . 62.6 tt0 -68.24 -41.38 81.27 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 121.014 -0.274 . . . . 10.0 110.297 179.19 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 100' ' ' ILE . . . . . 0.481 HG21 HG11 ' B' ' 109' ' ' VAL . 97.9 mt -56.94 -45.75 83.68 Favored 'Isoleucine or valine' 0 C--O 1.239 0.515 0 CA-C-O 121.021 0.439 . . . . 10.0 110.222 179.259 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 15.6 mtmt -68.32 -16.17 63.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.537 -0.756 . . . . 10.0 111.829 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? -92.63 -37.39 12.45 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.893 0.378 . . . . 10.0 110.835 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 103' ' ' VAL . . . . . 0.443 HG23 ' O ' ' B' ' 99' ' ' GLN . 49.8 t -71.06 -48.0 58.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.779 0.323 . . . . 10.0 110.848 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 104' ' ' LYS . . . . . 0.408 ' C ' ' H ' ' B' ' 106' ' ' SER . 21.9 mtpp -88.43 -17.25 30.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.398 -0.365 . . . . 10.0 110.865 -179.709 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 20.9 t70 71.57 -13.75 0.54 Allowed 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 115.662 -0.699 . . . . 10.0 112.513 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 106' ' ' SER . . . . . 0.408 ' H ' ' C ' ' B' ' 104' ' ' LYS . 23.2 t -71.07 145.75 49.7 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.971 -0.559 . . . . 10.0 112.253 -178.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -84.18 -40.99 17.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.393 0.616 . . . . 10.0 109.63 178.755 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -97.01 122.96 40.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.738 -0.664 . . . . 10.0 109.719 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 109' ' ' VAL . . . . . 0.481 HG11 HG21 ' B' ' 100' ' ' ILE . 78.6 t -135.55 130.86 19.1 Favored Pre-proline 0 C--N 1.324 -0.536 0 N-CA-C 110.056 -0.349 . . . . 10.0 110.056 -179.453 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 110' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 22.3 Cg_exo -66.69 105.68 0.97 Allowed 'Trans proline' 0 C--O 1.235 0.339 0 C-N-CA 122.719 2.279 . . . . 10.0 111.706 179.291 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 111' ' ' MET . . . . . 0.466 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 50.3 mtm -137.35 147.62 45.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.163 -179.706 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 84.3 t -129.88 133.44 64.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 109.141 -0.688 . . . . 10.0 109.141 178.771 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 19.4 tp -95.92 111.65 23.58 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.723 -0.473 . . . . 10.0 109.723 -179.593 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 114' ' ' VAL . . . . . 0.637 HG12 ' HB ' ' B' ' 142' ' ' ILE . 4.0 m -115.9 123.28 71.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.133 0.492 . . . . 10.0 112.144 -179.602 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -95.7 112.17 4.36 Favored Glycine 0 N--CA 1.443 -0.845 0 N-CA-C 109.56 -1.416 . . . . 10.0 109.56 178.694 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -93.06 160.03 15.04 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 112.003 0.372 . . . . 10.0 112.003 -178.653 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 82.1 mttt 68.39 35.14 3.48 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.733 0.642 . . . . 10.0 112.733 179.008 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 34.7 m -67.22 2.99 1.33 Allowed 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 112.847 0.684 . . . . 10.0 112.847 179.591 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -97.1 -7.89 31.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.931 0.396 . . . . 10.0 109.974 178.774 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 15.2 mt -74.88 132.03 78.15 Favored Pre-proline 0 C--O 1.236 0.378 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.857 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -73.82 143.96 34.13 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.888 2.392 . . . . 10.0 111.298 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 1.5 m 58.61 80.98 0.17 Allowed 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.094 0.473 . . . . 10.0 111.738 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 17.8 ptp180 -86.27 150.75 24.14 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.295 -0.411 . . . . 10.0 111.35 -179.485 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 10.8 m -80.55 -53.86 6.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.913 0.387 . . . . 10.0 110.384 179.202 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 72.3 t -87.06 104.14 13.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.13 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -69.03 154.16 42.54 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.798 -0.637 . . . . 10.0 109.923 179.322 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.99 -35.12 70.77 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.488 -0.324 . . . . 10.0 110.717 179.714 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 128' ' ' LYS . . . . . 0.664 ' HB2' ' HA ' ' C' ' 47' ' ' ASP . 10.5 ptmm? -52.28 -39.22 60.18 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 115.469 -0.787 . . . . 10.0 112.899 -179.706 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -92.08 -33.54 14.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.777 0.322 . . . . 10.0 111.683 -179.626 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.4 -39.83 94.62 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.928 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -77.17 -34.16 56.4 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.158 -0.474 . . . . 10.0 111.418 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -63.15 -41.62 99.31 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.014 0.435 . . . . 10.0 111.415 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 34.1 tp -64.31 -48.62 74.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.028 0.442 . . . . 10.0 109.873 179.152 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.1 -35.09 77.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.664 -0.698 . . . . 10.0 110.208 179.169 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 135' ' ' ARG . . . . . 0.488 ' HG2' ' HE3' ' C' ' 165' ' ' LYS . 6.2 tmm_? -64.1 -40.44 96.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.831 -0.622 . . . . 10.0 109.903 179.291 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 32.2 m -72.7 -32.74 65.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.276 -0.42 . . . . 10.0 110.839 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 4.6 m-30 -79.36 -21.29 45.97 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.238 -0.437 . . . . 10.0 111.216 179.556 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 76.91 32.39 49.77 Favored Glycine 0 N--CA 1.45 -0.396 0 N-CA-C 111.422 -0.671 . . . . 10.0 111.422 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 46.9 pt -118.09 158.62 45.73 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 115.746 -0.227 . . . . 10.0 110.688 -179.414 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -78.4 131.99 10.94 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 122.866 2.377 . . . . 10.0 111.991 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -105.31 130.98 53.32 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.115 -0.493 . . . . 10.0 109.685 178.527 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 142' ' ' ILE . . . . . 0.637 ' HB ' HG12 ' B' ' 114' ' ' VAL . 58.2 mt -128.71 129.39 68.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 111.968 0.358 . . . . 10.0 111.968 -179.046 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -89.61 125.93 35.43 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 107.207 -1.405 . . . . 10.0 107.207 177.449 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -142.45 -177.61 5.36 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 113.57 0.952 . . . . 10.0 113.57 -177.392 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 20.8 t -168.84 121.29 0.79 Allowed 'General case' 0 C--O 1.24 0.557 0 CA-C-N 114.92 -1.036 . . . . 10.0 109.142 179.544 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 146' ' ' ALA . . . . . 0.743 ' HB2' HD23 ' B' ' 19' ' ' LEU . . . -70.84 -23.0 62.25 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.094 0.473 . . . . 10.0 110.067 -179.524 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 28.3 tttt -73.44 -46.73 46.72 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.636 -0.711 . . . . 10.0 110.974 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -78.26 -15.14 59.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.596 -0.274 . . . . 10.0 111.472 -179.704 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.54 38.95 18.62 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 121.226 0.536 . . . . 10.0 110.22 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -112.22 126.65 55.46 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.392 -0.822 . . . . 10.0 111.1 -179.103 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 70.27 16.2 73.09 Favored Glycine 0 N--CA 1.452 -0.298 0 CA-C-N 116.084 -0.507 . . . . 10.0 113.033 179.162 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 86.5 t -59.08 -60.94 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.93 0.395 . . . . 10.0 110.909 -179.565 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -69.55 -30.8 68.68 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.85 -0.614 . . . . 10.0 110.573 -179.306 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.97 -37.23 73.8 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.059 -0.519 . . . . 10.0 111.773 -179.238 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -63.15 -50.53 70.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.361 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -67.34 -39.97 85.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.927 -0.579 . . . . 10.0 110.719 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 157' ' ' TYR . . . . . 0.665 ' HA ' HD13 ' B' ' 46' ' ' ILE . 2.9 m-85 -58.07 -47.59 82.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.723 179.205 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 65.5 m -64.15 -40.44 96.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.833 -0.622 . . . . 10.0 111.231 179.557 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 159' ' ' LEU . . . . . 0.538 HD22 ' HB2' ' B' ' 79' ' ' LEU . 61.9 tp -58.87 -50.04 75.5 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.337 -0.392 . . . . 10.0 111.001 179.693 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.8 -42.13 91.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.212 0.529 . . . . 10.0 110.371 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 161' ' ' ARG . . . . . 0.676 ' HG2' ' HG3' ' C' ' 135' ' ' ARG . 9.8 ttp180 -62.46 -32.73 73.65 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.795 -0.639 . . . . 10.0 110.996 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -68.81 -34.81 76.14 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.938 0.399 . . . . 10.0 110.088 178.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 163' ' ' ILE . . . . . 0.407 HD11 ' HA3' ' B' ' 77' ' ' GLY . 55.5 mt -67.5 -38.92 81.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 108.525 -0.917 . . . . 10.0 108.525 178.398 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 72.8 mtt180 -60.81 -40.65 93.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.456 -0.793 . . . . 10.0 108.979 178.106 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 165' ' ' LYS . . . . . 0.481 ' HE3' ' HG2' ' C' ' 135' ' ' ARG . 31.2 ttmt . . . . . 0 N--CA 1.453 -0.324 0 CA-C-N 115.283 -0.871 . . . . 10.0 110.049 178.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 CA--C 1.532 0.267 0 CA-C-O 121.056 0.455 . . . . 10.0 110.511 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' C' C ' 2' ' ' THR . . . . . 0.469 ' HB ' ' CE2' ' C' ' 4' ' ' TYR . 0.0 OUTLIER -92.59 136.69 33.01 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.944 -0.571 . . . . 10.0 109.522 179.88 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -106.14 130.42 54.03 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.873 0.368 . . . . 10.0 111.385 -179.43 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 4' ' ' TYR . . . . . 0.544 ' HE2' ' HB3' ' C' ' 51' ' ' CYS . 53.4 m-85 -120.01 117.81 29.0 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.147 -0.479 . . . . 10.0 109.841 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 5' ' ' LYS . . . . . 0.513 ' HA ' ' HB3' ' C' ' 54' ' ' ASP . 66.5 mttm -90.63 117.39 29.25 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.864 0.364 . . . . 10.0 110.304 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -127.19 137.07 52.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.084 0.469 . . . . 10.0 111.037 -178.511 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 24.9 t -118.46 132.28 68.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.382 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.489 HG13 HD23 ' C' ' 79' ' ' LEU . 10.6 t -91.6 129.59 42.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 109.949 -0.389 . . . . 10.0 109.949 179.405 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 8.8 m -119.45 165.75 14.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.054 0.454 . . . . 10.0 111.381 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 131.68 163.61 10.86 Favored Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 111.202 -0.759 . . . . 10.0 111.202 -179.678 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.44 176.93 4.94 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.099 0.476 . . . . 10.0 111.088 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -79.17 144.9 34.02 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.151 0.5 . . . . 10.0 110.769 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 87.29 -2.01 86.45 Favored Glycine 0 N--CA 1.448 -0.502 0 CA-C-N 115.821 -0.627 . . . . 10.0 113.744 179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 14' ' ' VAL . . . . . 0.412 ' CG2' ' HG3' ' C' ' 16' ' ' LYS . 20.2 m -75.1 -28.97 21.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 117.681 0.741 . . . . 10.0 112.216 -179.795 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 15' ' ' GLY . . . . . 0.51 ' O ' ' HG ' ' C' ' 19' ' ' LEU . . . 117.93 14.72 6.53 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.549 -0.834 . . . . 10.0 113.714 178.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 16' ' ' LYS . . . . . 0.412 ' HG3' ' CG2' ' C' ' 14' ' ' VAL . 47.2 mtpt -53.81 -58.9 5.55 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.157 0.428 . . . . 10.0 112.157 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 16.4 m -66.39 -33.21 75.2 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.776 0.658 . . . . 10.0 112.776 -178.788 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.33 -40.04 85.07 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.644 -0.502 . . . . 10.0 109.644 179.141 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 19' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' C' ' 15' ' ' GLY . 90.5 mt -68.78 -40.06 79.85 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 115.698 -0.683 . . . . 10.0 110.681 179.605 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.0 -43.69 86.98 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.449 -0.341 . . . . 10.0 110.597 179.739 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 86.0 mt -64.68 -38.67 83.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.401 -0.363 . . . . 10.0 111.314 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 22' ' ' GLN . . . . . 0.494 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 3.8 mm-40 -66.76 -25.84 66.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.183 0.516 . . . . 10.0 110.895 179.32 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 16.2 tp -87.49 -43.68 11.87 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.004 -0.544 . . . . 10.0 111.185 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 44.4 mm -80.19 -68.11 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 112.483 0.549 . . . . 10.0 112.483 -178.614 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -78.87 -24.95 43.93 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.115 0.413 . . . . 10.0 112.115 -178.383 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 26' ' ' ASN . . . . . 0.494 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 66.8 t30 72.96 51.36 0.14 Allowed 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 113.053 0.761 . . . . 10.0 113.053 178.418 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 9.6 p80 -157.36 164.71 37.28 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.01 178.454 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -101.56 141.97 33.63 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 120.941 0.401 . . . . 10.0 111.089 -179.242 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 3.7 m -108.25 131.73 57.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.46 179.707 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -98.24 -8.31 27.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.684 0.754 . . . . 10.0 109.873 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -95.69 143.31 27.07 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.391 -0.822 . . . . 10.0 110.775 -179.493 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -78.57 122.37 25.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.334 -0.394 . . . . 10.0 110.477 179.331 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -111.87 103.86 55.56 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 120.739 0.304 . . . . 10.0 111.586 -179.588 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -80.43 67.55 8.59 Favored 'Trans proline' 0 CA--C 1.532 0.379 0 C-N-CA 123.176 2.584 . . . . 10.0 111.769 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.2 130.3 41.1 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.196 -0.456 . . . . 10.0 111.282 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 36' ' ' ILE . . . . . 0.9 ' HA ' ' HB2' ' C' ' 59' ' ' ALA . 48.1 mm -87.02 -40.02 13.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 109.372 -0.603 . . . . 10.0 109.372 179.313 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 37' ' ' GLU . . . . . 0.46 ' HG2' HD11 ' C' ' 56' ' ' LEU . 4.3 tt0 -172.45 104.76 0.16 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.387 -0.824 . . . . 10.0 109.826 179.686 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -130.23 136.8 49.6 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.899 -0.408 . . . . 10.0 109.899 179.321 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 39' ' ' SER . . . . . 0.438 ' HB2' ' NH1' ' C' ' 41' ' ' ARG . 2.9 p -114.58 134.74 54.81 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 112.136 0.421 . . . . 10.0 112.136 -178.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -125.52 143.63 50.92 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.681 -0.69 . . . . 10.0 110.122 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 41' ' ' ARG . . . . . 0.438 ' NH1' ' HB2' ' C' ' 39' ' ' SER . 0.8 OUTLIER -127.54 134.87 49.74 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.356 -0.384 . . . . 10.0 110.469 179.852 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 54.9 tttt -149.04 140.16 23.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.425 179.206 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -93.81 120.53 34.2 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.548 -0.538 . . . . 10.0 109.548 179.121 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 18.6 m -130.9 162.39 39.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.283 0.563 . . . . 10.0 111.389 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 21.1 t -105.81 108.66 25.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.738 -0.664 . . . . 10.0 109.412 179.389 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 63.6 mt -114.63 116.93 54.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.163 -0.471 . . . . 10.0 110.746 -179.192 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 47' ' ' ASP . . . . . 0.664 ' HA ' ' HB2' ' B' ' 128' ' ' LYS . 33.8 m-20 71.57 -11.08 0.76 Allowed 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 115.647 -0.706 . . . . 10.0 112.011 179.451 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 129.38 -16.43 5.69 Favored Glycine 0 N--CA 1.449 -0.445 0 N-CA-C 111.348 -0.701 . . . . 10.0 111.348 -179.26 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 49' ' ' GLU . . . . . 0.495 ' HB3' ' NH2' ' C' ' 164' ' ' ARG . 16.7 tt0 -94.55 122.63 37.33 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-O 120.747 0.308 . . . . 10.0 110.466 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -73.04 117.51 14.85 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.094 -0.706 . . . . 10.0 109.094 179.079 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 51' ' ' CYS . . . . . 0.544 ' HB3' ' HE2' ' C' ' 4' ' ' TYR . 0.1 OUTLIER -129.35 153.8 47.52 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 112.623 0.601 . . . . 10.0 112.623 -178.171 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 60.3 tp -101.82 124.08 46.85 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.095 -0.957 . . . . 10.0 108.908 178.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 53' ' ' LEU . . . . . 0.422 ' O ' ' HA ' ' C' ' 41' ' ' ARG . 37.1 mt -96.89 122.22 39.63 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 112.51 0.559 . . . . 10.0 112.51 -179.219 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 54' ' ' ASP . . . . . 0.513 ' HB3' ' HA ' ' C' ' 5' ' ' LYS . 22.0 t70 -103.09 93.01 4.78 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.613 -1.254 . . . . 10.0 107.613 177.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 1.1 mp -100.18 131.57 47.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.506 -0.316 . . . . 10.0 111.834 -178.233 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 56' ' ' LEU . . . . . 0.46 HD11 ' HG2' ' C' ' 37' ' ' GLU . 32.0 tp -118.54 121.24 39.77 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.124 -0.489 . . . . 10.0 111.179 179.539 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -97.32 104.81 16.87 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.037 -0.727 . . . . 10.0 109.037 178.79 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 28.6 p -95.75 156.6 16.26 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.619 -0.264 . . . . 10.0 110.612 -179.178 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 59' ' ' ALA . . . . . 0.9 ' HB2' ' HA ' ' C' ' 36' ' ' ILE . . . -64.48 138.13 58.25 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.089 0.471 . . . . 10.0 110.954 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -98.79 23.8 34.85 Favored Glycine 0 N--CA 1.448 -0.535 0 N-CA-C 111.272 -0.731 . . . . 10.0 111.272 179.149 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -83.62 -1.55 54.16 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 111.588 0.218 . . . . 10.0 111.588 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 62' ' ' GLU . . . . . 0.412 ' HB3' ' H ' ' C' ' 63' ' ' GLU . 32.5 mm-40 58.32 -160.7 0.26 Allowed 'General case' 0 C--O 1.233 0.226 0 N-CA-C 112.275 0.472 . . . . 10.0 112.275 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 63' ' ' GLU . . . . . 0.412 ' H ' ' HB3' ' C' ' 62' ' ' GLU . 24.6 tt0 77.58 -16.71 0.63 Allowed 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.365 0.666 . . . . 10.0 111.476 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 64' ' ' TYR . . . . . 0.705 ' HB3' ' HB3' ' C' ' 67' ' ' MET . 28.6 m-85 -77.64 73.26 4.21 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.035 -0.53 . . . . 10.0 111.207 -179.456 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 1.8 p -76.4 -16.49 59.7 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.056 -0.52 . . . . 10.0 111.843 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -116.35 -36.97 3.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.488 -0.324 . . . . 10.0 111.504 -179.575 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 67' ' ' MET . . . . . 0.705 ' HB3' ' HB3' ' C' ' 64' ' ' TYR . 20.6 ttt -64.5 -28.83 69.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.045 0.45 . . . . 10.0 110.601 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 68' ' ' ARG . . . . . 0.606 ' HA ' ' CZ ' ' C' ' 71' ' ' TYR . 1.3 tpp180 -62.11 -43.33 99.07 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.894 -0.594 . . . . 10.0 111.907 -179.014 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -57.49 -36.23 71.24 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.3 -0.409 . . . . 10.0 110.999 -179.133 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -55.54 -56.31 21.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.842 -0.617 . . . . 10.0 112.366 -179.519 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 71' ' ' TYR . . . . . 0.606 ' CZ ' ' HA ' ' C' ' 68' ' ' ARG . 19.4 p90 -79.51 -24.33 42.32 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 113.697 0.999 . . . . 10.0 113.697 -178.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 72' ' ' MET . . . . . 0.482 ' SD ' ' HG2' ' C' ' 99' ' ' GLN . 27.3 mtt -69.13 -36.15 77.16 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.113 0.482 . . . . 10.0 110.423 179.226 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 29.5 ttm105 -73.2 -35.0 66.27 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.352 0.596 . . . . 10.0 110.411 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 6.3 m -76.27 -48.04 21.63 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.305 -0.862 . . . . 10.0 112.874 -178.726 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.74 148.87 51.48 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 121.376 -0.44 . . . . 10.0 113.856 -178.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -102.01 -41.17 6.54 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.227 0.537 . . . . 10.0 109.605 179.423 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -116.89 145.62 18.72 Favored Glycine 0 N--CA 1.447 -0.587 0 N-CA-C 110.712 -0.955 . . . . 10.0 110.712 178.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 78' ' ' PHE . . . . . 0.463 ' HB2' ' HG2' ' C' ' 111' ' ' MET . 88.8 m-85 -121.14 126.34 49.49 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 117.194 0.497 . . . . 10.0 112.158 -179.015 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 79' ' ' LEU . . . . . 0.489 HD23 HG13 ' C' ' 8' ' ' VAL . 13.6 tp -93.06 99.53 12.12 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.293 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 36.7 m -87.63 101.06 13.28 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.122 0.487 . . . . 10.0 110.551 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 40.4 t -109.99 136.32 46.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.855 -0.612 . . . . 10.0 110.036 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 35.8 p90 -132.06 149.97 52.27 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.929 0.395 . . . . 10.0 110.67 179.515 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -81.38 128.42 33.83 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.957 -0.565 . . . . 10.0 109.622 179.425 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 84' ' ' ILE . . . . . . . . . . . . . 1.5 pp -73.0 -10.79 14.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.954 0.407 . . . . 10.0 111.36 -179.475 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 21.0 p-10 -100.16 -1.6 36.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.295 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -133.68 112.59 11.54 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.203 0.525 . . . . 10.0 111.524 -179.269 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.6 -28.98 68.93 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.674 -0.694 . . . . 10.0 112.302 -179.311 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 26.0 tptp -57.81 -43.59 85.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.408 -0.36 . . . . 10.0 110.67 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -32.64 73.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.246 -0.434 . . . . 10.0 111.526 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -71.16 -33.29 69.89 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.843 0.354 . . . . 10.0 110.755 -179.615 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -79.24 -26.54 42.44 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.068 0.461 . . . . 10.0 110.515 179.355 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -67.27 -21.4 65.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.979 -0.555 . . . . 10.0 111.267 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 46.9 mm -57.75 -41.73 80.22 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-N 116.342 -0.39 . . . . 10.0 110.258 179.472 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -66.09 -44.01 85.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.224 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 55.1 m-70 -59.89 -42.04 92.92 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.101 0.477 . . . . 10.0 110.075 179.279 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -65.57 -49.74 67.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.677 -0.692 . . . . 10.0 110.344 179.06 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 18.6 ttt180 -54.24 -47.06 72.65 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.415 -0.812 . . . . 10.0 111.854 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -62.4 -35.29 78.75 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 116.305 -0.407 . . . . 10.0 111.899 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 99' ' ' GLN . . . . . 0.482 ' HG2' ' SD ' ' C' ' 72' ' ' MET . 54.3 tt0 -75.82 -38.72 57.83 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.82 -0.352 . . . . 10.0 110.333 179.204 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 52.3 mt -56.52 -46.17 82.32 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 CA-C-N 116.01 -0.541 . . . . 10.0 109.943 179.223 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 101' ' ' LYS . . . . . 0.442 ' HB2' ' HE3' ' C' ' 101' ' ' LYS . 27.5 mtmt -72.47 -25.19 61.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.722 -0.672 . . . . 10.0 111.198 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -75.17 -49.51 19.24 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.295 -179.452 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 103' ' ' VAL . . . . . 0.426 HG23 ' O ' ' C' ' 99' ' ' GLN . 42.2 t -66.1 -39.61 84.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.21 -0.45 . . . . 10.0 111.837 -179.203 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 5.8 tttp -87.08 -16.48 35.42 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.268 0.47 . . . . 10.0 112.268 -179.135 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 28.8 t70 60.56 56.67 3.0 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.442 0.639 . . . . 10.0 111.358 -179.284 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 1.9 t -166.93 143.93 4.68 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.763 -0.653 . . . . 10.0 110.222 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 -83.8 -37.19 22.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.94 0.4 . . . . 10.0 110.634 -179.585 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -86.75 105.84 17.25 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.972 -0.558 . . . . 10.0 111.355 -179.071 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 45.1 t -135.29 135.89 23.43 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.538 -0.756 . . . . 10.0 109.131 179.695 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_exo -64.38 106.74 0.74 Allowed 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.849 2.366 . . . . 10.0 111.427 179.219 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 111' ' ' MET . . . . . 0.463 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 57.4 mtm -142.02 144.86 33.84 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.635 -179.439 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 60.9 t -134.23 128.4 52.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 109.146 -0.687 . . . . 10.0 109.146 179.384 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 24.5 tp -82.74 121.6 27.1 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.152 -0.684 . . . . 10.0 109.152 179.413 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 21.7 t -115.9 129.91 71.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.003 0.43 . . . . 10.0 111.826 -178.483 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -109.91 123.8 6.9 Favored Glycine 0 N--CA 1.446 -0.66 0 N-CA-C 109.799 -1.32 . . . . 10.0 109.799 178.45 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -112.86 157.91 20.81 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.983 0.391 . . . . 10.0 111.311 -179.096 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt 71.86 29.59 2.43 Favored 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 123.295 0.638 . . . . 10.0 112.64 179.601 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 118' ' ' CYS . . . . . . . . . . . . . 68.2 m -72.73 -3.41 25.03 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.889 0.376 . . . . 10.0 111.762 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -85.87 -19.07 31.13 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.321 179.374 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 83.7 mt -85.35 143.5 39.18 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.653 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -78.02 172.66 15.18 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.748 2.299 . . . . 10.0 111.346 179.306 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 16.0 m 64.6 61.71 0.82 Allowed 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.2 0.524 . . . . 10.0 111.844 179.637 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -83.76 154.6 23.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.835 179.038 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 1.4 m -99.79 -48.39 4.72 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.145 -0.48 . . . . 10.0 111.787 -179.197 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 77.7 t -91.59 127.24 44.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.938 0.399 . . . . 10.0 110.713 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 126' ' ' ASP . . . . . 0.47 ' HB3' ' HG2' ' C' ' 129' ' ' GLN . 9.2 t70 -70.75 142.19 51.44 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.361 -0.607 . . . . 10.0 109.361 179.435 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 7.5 m -56.78 -33.38 66.58 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.794 0.33 . . . . 10.0 110.575 179.622 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 128' ' ' LYS . . . . . 0.62 ' HB3' ' HA ' ' B' ' 47' ' ' ASP . 30.8 mttp -63.35 -55.78 21.74 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 115.959 -0.564 . . . . 10.0 111.153 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 129' ' ' GLN . . . . . 0.47 ' HG2' ' HB3' ' C' ' 126' ' ' ASP . 3.0 pt20 -62.88 -31.99 73.15 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.81 0.338 . . . . 10.0 111.583 -179.607 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.03 -47.16 72.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.078 179.234 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 131' ' ' GLN . . . . . 0.726 ' HG3' ' HD2' ' C' ' 141' ' ' PHE . 17.4 mt-30 -71.9 -28.74 63.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.384 179.335 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 132' ' ' ASP . . . . . 0.533 ' HA ' ' HD2' ' B' ' 161' ' ' ARG . 5.4 t70 -68.29 -42.03 80.11 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.319 178.731 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 10.3 tp -59.6 -44.53 93.35 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 109.291 -0.633 . . . . 10.0 109.291 179.099 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.84 -37.39 87.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.626 -0.715 . . . . 10.0 110.068 179.178 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 135' ' ' ARG . . . . . 0.676 ' HG3' ' HG2' ' B' ' 161' ' ' ARG . 5.7 tmm_? -60.91 -39.68 90.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.662 -0.699 . . . . 10.0 110.316 179.197 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 17.1 m -69.84 -26.24 64.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.701 -0.681 . . . . 10.0 111.39 -179.511 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 137' ' ' TYR . . . . . 0.603 ' HB2' HG12 ' C' ' 139' ' ' ILE . 23.4 m-30 -90.8 -14.38 32.03 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.971 0.415 . . . . 10.0 110.692 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 76.41 31.05 55.74 Favored Glycine 0 N--CA 1.451 -0.35 0 N-CA-C 110.736 -0.946 . . . . 10.0 110.736 -178.762 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 139' ' ' ILE . . . . . 0.603 HG12 ' HB2' ' C' ' 137' ' ' TYR . 47.4 pt -126.24 162.56 45.41 Favored Pre-proline 0 C--N 1.327 -0.384 0 N-CA-C 109.902 -0.407 . . . . 10.0 109.902 -179.139 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 140' ' ' PRO . . . . . 0.408 ' HD2' ' HB ' ' C' ' 139' ' ' ILE . 94.1 Cg_endo -87.04 155.49 8.43 Favored 'Trans proline' 0 CA--C 1.533 0.453 0 C-N-CA 122.456 2.104 . . . . 10.0 112.801 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 141' ' ' PHE . . . . . 0.726 ' HD2' ' HG3' ' C' ' 131' ' ' GLN . 63.3 t80 -136.42 122.34 20.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.9 -0.591 . . . . 10.0 109.556 178.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 3.6 mp -124.98 130.0 73.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 120.885 0.374 . . . . 10.0 111.346 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -80.83 131.73 35.42 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 108.91 -0.774 . . . . 10.0 108.91 178.434 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 77.3 p -134.86 176.41 8.68 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.274 0.559 . . . . 10.0 112.055 -177.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 12.7 t -151.89 117.24 5.3 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.29 -0.868 . . . . 10.0 108.865 178.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 146' ' ' ALA . . . . . 0.41 ' HB2' HD23 ' C' ' 19' ' ' LEU . . . -72.61 -24.69 61.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.099 0.475 . . . . 10.0 110.433 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -65.82 -48.68 70.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.621 -0.718 . . . . 10.0 110.573 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 26.8 p -90.21 -15.84 30.63 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.922 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 23.1 ttt-85 62.71 44.48 6.54 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 115.364 -0.835 . . . . 10.0 111.023 -179.279 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -112.71 113.75 26.01 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.002 -0.545 . . . . 10.0 110.522 -179.689 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 94.14 -18.98 55.72 Favored Glycine 0 CA--C 1.518 0.226 0 C-N-CA 121.058 -0.591 . . . . 10.0 112.855 179.152 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 13.3 t -60.39 -40.22 83.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.72 0.295 . . . . 10.0 111.417 -179.099 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.12 -52.32 63.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.25 0.548 . . . . 10.0 110.699 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 154' ' ' ASP . . . . . 0.46 ' HA ' ' CD2' ' C' ' 157' ' ' TYR . 16.8 t70 -66.01 -30.01 70.47 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.622 -0.717 . . . . 10.0 112.07 -178.845 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -57.13 -42.05 80.19 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.988 0.423 . . . . 10.0 110.494 179.499 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -68.76 -39.82 80.05 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.818 -0.628 . . . . 10.0 109.917 179.19 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 157' ' ' TYR . . . . . 0.46 ' CD2' ' HA ' ' C' ' 154' ' ' ASP . 8.6 m-30 -64.71 -36.81 85.49 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.866 -0.606 . . . . 10.0 110.636 179.639 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 31.9 m -60.16 -42.56 95.17 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 116.187 -0.46 . . . . 10.0 111.074 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 159' ' ' LEU . . . . . 0.41 ' O ' HG13 ' C' ' 163' ' ' ILE . 17.6 tp -61.14 -39.91 91.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.175 0.512 . . . . 10.0 109.746 179.189 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 79.7 t -66.72 -40.0 85.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.643 -0.708 . . . . 10.0 109.541 178.606 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.01 -38.85 87.53 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.592 -0.731 . . . . 10.0 109.783 179.021 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -67.51 -39.92 85.14 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.732 -0.667 . . . . 10.0 110.685 179.079 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 163' ' ' ILE . . . . . 0.41 HG13 ' O ' ' C' ' 159' ' ' LEU . 97.9 mt -62.27 -43.6 98.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 N-CA-C 109.058 -0.719 . . . . 10.0 109.058 178.528 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 164' ' ' ARG . . . . . 0.495 ' NH2' ' HB3' ' C' ' 49' ' ' GLU . 97.6 mtt180 -62.66 -44.5 96.11 Favored 'General case' 0 C--O 1.232 0.175 0 N-CA-C 109.056 -0.72 . . . . 10.0 109.056 178.564 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 165' ' ' LYS . . . . . 0.488 ' HE3' ' HG2' ' B' ' 135' ' ' ARG . 29.2 ttmt -58.92 -49.53 77.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.116 -0.947 . . . . 10.0 110.502 179.321 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -57.63 -51.54 69.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.789 -0.642 . . . . 10.0 111.382 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 98.7 mttt . . . . . 0 C--N 1.327 -0.397 0 N-CA-C 112.583 0.586 . . . . 10.0 112.583 -179.373 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 6.1 tmtm? . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.747 0.308 . . . . 10.0 110.991 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 203' ' ' LEU . . . . . 0.407 ' O ' ' HB2' ' A' ' 207' ' ' TRP . 74.2 mt -63.93 -33.85 76.64 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.315 -0.402 . . . . 10.0 110.427 179.359 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 1.7 mt -67.9 -46.7 70.87 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.508 -0.769 . . . . 10.0 111.112 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -66.67 -45.35 79.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.992 0.425 . . . . 10.0 111.288 -179.309 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 206' ' ' ASN . . . . . 0.515 ' O ' HG23 ' A' ' 210' ' ' VAL . 2.3 m120 -66.35 -28.61 68.8 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.118 -0.492 . . . . 10.0 111.31 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 207' ' ' TRP . . . . . 0.407 ' HB2' ' O ' ' A' ' 203' ' ' LEU . 15.1 t90 -63.4 -34.66 78.22 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.06 0.457 . . . . 10.0 109.902 179.499 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -67.86 -38.91 83.72 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.287 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 2.0 m -64.6 -32.64 74.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.292 0.568 . . . . 10.0 110.136 179.191 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 210' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 206' ' ' ASN . 48.1 t -75.98 -45.35 37.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.892 -0.594 . . . . 10.0 110.013 179.241 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 9.9 m -60.63 -43.8 97.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.569 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 3.4 p -62.31 -37.99 87.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.955 0.407 . . . . 10.0 110.205 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 84.8 m -66.56 -40.8 89.17 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.908 -0.587 . . . . 10.0 109.522 178.526 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -61.71 -41.83 98.12 Favored 'General case' 0 C--O 1.224 -0.25 0 N-CA-C 109.648 -0.501 . . . . 10.0 109.648 178.553 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 24.3 m -62.32 -45.99 90.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.991 -0.55 . . . . 10.0 109.799 178.642 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -61.29 -40.21 93.29 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.302 -0.408 . . . . 10.0 109.983 178.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 217' ' ' LEU . . . . . 0.484 ' O ' ' HG ' ' A' ' 221' ' ' LEU . 80.7 mt -65.34 -42.09 93.25 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-N 115.72 -0.673 . . . . 10.0 110.028 179.256 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 218' ' ' ARG . . . . . 0.492 ' HA ' HD12 ' A' ' 221' ' ' LEU . 88.1 mtt180 -65.74 -35.44 80.75 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.321 -0.4 . . . . 10.0 110.948 179.691 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -67.24 -36.3 81.35 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.642 -0.503 . . . . 10.0 109.642 178.488 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -76.74 -31.92 57.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.824 -0.626 . . . . 10.0 110.171 179.217 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 221' ' ' LEU . . . . . 0.492 HD12 ' HA ' ' A' ' 218' ' ' ARG . 33.2 mt -53.84 -36.94 63.1 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.123 179.417 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -55.12 -70.39 0.98 Allowed Glycine 0 C--N 1.33 0.241 0 N-CA-C 111.121 -0.792 . . . . 10.0 111.121 178.733 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -51.3 -41.71 57.62 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.629 2.219 . . . . 10.0 111.778 178.42 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 224' ' ' VAL . . . . . 0.56 HG22 ' HD3' ' D' ' 550' ' ' LYS . 54.3 t -57.16 -53.32 44.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-N 116.523 -0.308 . . . . 10.0 111.123 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 11.0 p -65.14 -36.82 85.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.884 0.374 . . . . 10.0 110.996 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -62.41 -49.55 75.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 10.0 110.492 179.151 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -66.99 -47.49 71.36 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.331 179.404 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -57.24 -50.95 71.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 10.0 111.585 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -66.16 -34.83 78.93 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.952 0.158 . . . . 10.0 111.358 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -63.14 -46.62 86.36 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.52 -0.548 . . . . 10.0 109.52 178.613 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 231' ' ' ASN . . . . . 0.551 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 68.9 m-20 -72.6 -34.7 67.57 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.756 -0.656 . . . . 10.0 110.755 178.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 21.0 mt -62.9 -42.2 99.7 Favored 'General case' 0 CA--C 1.52 -0.208 0 N-CA-C 109.773 -0.454 . . . . 10.0 109.773 178.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -64.11 -33.65 76.26 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.307 178.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 234' ' ' LYS . . . . . 0.551 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 80.1 mttt -66.39 -45.52 79.74 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 108.611 -0.885 . . . . 10.0 108.611 177.7 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.41 -46.05 91.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.319 -0.855 . . . . 10.0 109.389 178.566 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 236' ' ' THR . . . . . 0.492 ' O ' ' HG3' ' A' ' 240' ' ' ARG . 2.9 m -67.49 -37.11 82.35 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.831 -0.622 . . . . 10.0 110.735 179.613 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -62.41 -44.33 96.68 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 108.766 -0.828 . . . . 10.0 108.766 178.788 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -61.58 -41.48 99.58 Favored Glycine 0 N--CA 1.445 -0.702 0 N-CA-C 110.233 -1.147 . . . . 10.0 110.233 178.117 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 84.1 mt -65.68 -32.18 73.6 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.757 0.313 . . . . 10.0 110.573 179.032 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 240' ' ' ARG . . . . . 0.492 ' HG3' ' O ' ' A' ' 236' ' ' THR . 56.5 mtt180 -70.24 -41.73 73.15 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.896 -0.779 . . . . 10.0 108.896 178.441 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -66.81 -41.95 86.69 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.652 -0.87 . . . . 10.0 108.652 178.273 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -64.31 -32.64 74.32 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 115.468 -0.787 . . . . 10.0 110.265 178.493 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 243' ' ' MET . . . . . 0.747 ' HG3' HD12 ' A' ' 247' ' ' LEU . 54.2 ttm -54.26 -31.43 53.59 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 122.925 0.49 . . . . 10.0 111.36 -179.766 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 244' ' ' SER . . . . . 0.498 ' HA ' ' HG3' ' A' ' 248' ' ' GLU . 0.8 OUTLIER -65.14 -7.1 10.96 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.19 0.519 . . . . 10.0 110.637 179.512 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 245' ' ' LYS . . . . . 0.735 ' HA ' ' HG3' ' A' ' 249' ' ' GLU . 66.6 mttm -130.95 -52.32 1.05 Allowed 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.914 -0.584 . . . . 10.0 110.01 179.557 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 246' ' ' ASP . . . . . 0.748 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 4.3 t0 -60.86 -13.43 15.54 Favored 'General case' 0 C--O 1.225 -0.21 0 N-CA-C 113.002 0.741 . . . . 10.0 113.002 -179.226 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 247' ' ' LEU . . . . . 0.747 HD12 ' HG3' ' A' ' 243' ' ' MET . 18.8 mt -132.06 -46.88 0.93 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.771 0.32 . . . . 10.0 110.707 178.872 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 248' ' ' GLU . . . . . 0.498 ' HG3' ' HA ' ' A' ' 244' ' ' SER . 16.0 mt-10 -63.99 -39.97 95.32 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.244 0.461 . . . . 10.0 112.244 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 249' ' ' GLU . . . . . 0.735 ' HG3' ' HA ' ' A' ' 245' ' ' LYS . 52.3 mt-10 -72.39 -29.05 63.4 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.472 -0.566 . . . . 10.0 109.472 179.021 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 250' ' ' VAL . . . . . 0.593 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 71.9 t -64.17 -44.22 97.5 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.308 0 N-CA-C 108.775 -0.824 . . . . 10.0 108.775 178.1 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -69.98 -37.19 75.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.306 178.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -64.34 -49.39 71.89 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.196 -0.457 . . . . 10.0 110.707 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -81.75 -10.25 59.41 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.194 0.442 . . . . 10.0 112.194 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 254' ' ' VAL . . . . . 0.593 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.3 OUTLIER -63.72 -30.75 50.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 120.609 0.243 . . . . 10.0 110.629 179.711 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 255' ' ' GLN . . . . . 0.477 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 68.9 mt-30 -62.89 -63.35 4.26 Favored Pre-proline 0 N--CA 1.451 -0.397 0 CA-C-N 116.167 -0.47 . . . . 10.0 110.757 179.526 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 256' ' ' PRO . . . . . 0.477 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 19.6 Cg_endo -61.14 -36.24 82.05 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 121.807 1.671 . . . . 10.0 112.247 179.389 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 4.8 m-30 -62.83 -57.96 9.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.351 -0.386 . . . . 10.0 111.216 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 52.9 mt -67.83 -37.28 81.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.15 -0.477 . . . . 10.0 111.471 -179.468 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 259' ' ' ASP . . . . . 0.471 ' O ' ' HB2' ' A' ' 263' ' ' LYS . 34.8 t70 -63.26 -41.31 99.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.543 0.211 . . . . 10.0 110.859 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -69.42 -44.14 71.95 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.992 0.425 . . . . 10.0 110.073 179.282 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 261' ' ' PHE . . . . . 0.485 ' O ' ' HB2' ' A' ' 265' ' ' TRP . 1.5 m-30 -63.82 -43.4 96.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.757 -0.656 . . . . 10.0 110.233 178.82 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 262' ' ' GLN . . . . . 0.528 ' O ' ' HG3' ' A' ' 266' ' ' GLN . 46.2 tt0 -66.96 -39.48 87.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.147 179.464 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 263' ' ' LYS . . . . . 0.497 ' HB2' ' HE3' ' A' ' 263' ' ' LYS . 15.1 ttmt -59.21 -51.25 70.77 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.496 -0.557 . . . . 10.0 109.496 179.097 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 264' ' ' LYS . . . . . 0.4 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 69.0 mttt -66.08 -36.64 83.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.697 -0.683 . . . . 10.0 110.249 179.158 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 265' ' ' TRP . . . . . 0.485 ' HB2' ' O ' ' A' ' 261' ' ' PHE . 0.0 OUTLIER -62.02 -40.25 95.05 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 109.502 -0.555 . . . . 10.0 109.502 178.707 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 266' ' ' GLN . . . . . 0.528 ' HG3' ' O ' ' A' ' 262' ' ' GLN . 74.6 mt-30 -60.99 -47.35 86.85 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 115.734 -0.666 . . . . 10.0 109.216 178.551 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -62.65 -40.36 96.8 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 115.792 -0.64 . . . . 10.0 109.766 178.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 268' ' ' GLU . . . . . 0.525 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 10.9 mt-10 -59.01 -43.92 91.62 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.975 -0.557 . . . . 10.0 109.897 178.504 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 85.7 mmm -68.92 -38.64 79.67 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.503 -0.771 . . . . 10.0 110.318 179.452 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -62.4 -50.66 70.63 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.69 -0.485 . . . . 10.0 109.69 179.06 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 70.0 mt -61.58 -34.78 76.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.218 179.232 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 272' ' ' TYR . . . . . 0.462 ' HD1' ' HA ' ' A' ' 272' ' ' TYR . 0.5 OUTLIER -69.08 -40.02 78.71 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.399 -0.364 . . . . 10.0 110.526 179.087 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 273' ' ' ARG . . . . . 0.618 ' HA ' HG12 ' A' ' 276' ' ' VAL . 84.9 mtt180 -74.96 -42.94 56.65 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.978 -0.556 . . . . 10.0 111.417 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -63.21 -23.75 67.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.959 -0.564 . . . . 10.0 111.159 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 275' ' ' LYS . . . . . 0.675 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 8.3 mptt -98.63 -35.33 10.23 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.027 -0.533 . . . . 10.0 111.347 179.638 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 276' ' ' VAL . . . . . 0.618 HG12 ' HA ' ' A' ' 273' ' ' ARG . 4.3 p -60.31 -33.34 53.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 112.698 0.629 . . . . 10.0 112.698 -179.149 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -62.39 -60.98 8.47 Favored Pre-proline 0 CA--C 1.533 0.302 0 C-N-CA 120.904 -0.318 . . . . 10.0 111.555 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -62.93 -36.96 57.33 Favored 'Trans proline' 0 C--N 1.355 0.878 0 C-N-CA 121.841 1.694 . . . . 10.0 111.614 178.424 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 279' ' ' LEU . . . . . 0.899 HD22 ' HE3' ' D' ' 495' ' ' LYS . 14.4 mt -62.58 -43.98 97.47 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-O 120.755 0.312 . . . . 10.0 110.386 179.164 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -63.46 -30.28 71.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 10.0 109.926 178.763 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -69.87 -44.89 68.89 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.174 -0.676 . . . . 10.0 109.174 178.584 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -63.21 -40.24 96.9 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 109.224 -0.658 . . . . 10.0 109.224 178.395 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 65.4 mt -64.02 -44.68 91.84 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.746 -0.661 . . . . 10.0 110.326 178.765 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -63.35 -52.19 62.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.055 -0.521 . . . . 10.0 110.626 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 285' ' ' GLU . . . . . 0.692 ' HA ' ' HD2' ' A' ' 288' ' ' ARG . 62.0 mt-10 -61.69 -40.79 96.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.757 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -63.65 -43.42 97.95 Favored Glycine 0 N--CA 1.446 -0.663 0 N-CA-C 110.141 -1.184 . . . . 10.0 110.141 178.204 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -61.96 -38.49 88.7 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 110.228 -0.286 . . . . 10.0 110.228 178.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 288' ' ' ARG . . . . . 0.692 ' HD2' ' HA ' ' A' ' 285' ' ' GLU . 99.1 mtt180 -53.47 -54.01 43.21 Favored 'General case' 0 CA--C 1.519 -0.215 0 N-CA-C 109.306 -0.628 . . . . 10.0 109.306 179.085 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -65.76 -48.73 70.9 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.925 -1.034 . . . . 10.0 111.246 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 60.5 mttt -59.13 -47.5 85.05 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.404 0.52 . . . . 10.0 112.404 -179.357 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 77.0 mt -68.5 -35.98 78.26 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.753 0.311 . . . . 10.0 110.248 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 292' ' ' HIS . . . . . 0.499 ' HB2' ' O ' ' A' ' 288' ' ' ARG . 2.5 t60 -63.77 -40.02 95.68 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.104 -0.702 . . . . 10.0 109.104 178.807 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.08 -35.35 78.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.729 -0.669 . . . . 10.0 109.754 178.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 84.8 mt -73.93 -40.39 63.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.286 178.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -61.15 -37.58 83.36 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.263 0.554 . . . . 10.0 109.946 179.039 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -72.86 5.42 3.25 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.75 -0.659 . . . . 10.0 111.627 179.596 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 297' ' ' LYS . . . . . 0.489 ' O ' ' HB2' ' A' ' 301' ' ' LEU . 9.1 mmtp -124.4 -39.73 2.3 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.091 -0.504 . . . . 10.0 109.704 178.126 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 298' ' ' LEU . . . . . 0.517 ' O ' ' HA3' ' A' ' 302' ' ' GLY . 61.3 mt -65.78 -23.98 66.83 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.09 -0.505 . . . . 10.0 111.367 179.628 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 299' ' ' SER . . . . . 0.423 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 16.0 m -85.34 -63.45 0.23 Allowed Pre-proline 0 C--N 1.322 -0.6 0 N-CA-C 112.186 0.439 . . . . 10.0 112.186 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 300' ' ' PRO . . . . . 0.423 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 27.5 Cg_endo -63.39 -52.58 1.88 Allowed 'Trans proline' 0 C--N 1.355 0.904 0 C-N-CA 121.733 1.622 . . . . 10.0 111.932 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 301' ' ' LEU . . . . . 0.651 HD13 ' HG2' ' D' ' 473' ' ' LYS . 96.7 mt -71.13 -22.57 62.05 Favored 'General case' 0 C--O 1.224 -0.275 0 N-CA-C 109.93 -0.396 . . . . 10.0 109.93 179.623 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 302' ' ' GLY . . . . . 0.517 ' HA3' ' O ' ' A' ' 298' ' ' LEU . . . -72.92 -49.73 15.97 Favored Glycine 0 N--CA 1.451 -0.311 0 N-CA-C 110.632 -0.987 . . . . 10.0 110.632 178.864 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -62.49 -41.45 98.82 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.019 -0.734 . . . . 10.0 109.019 178.514 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -64.59 -40.86 96.29 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.449 -0.796 . . . . 10.0 109.508 178.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 14.3 tpt -62.22 -44.24 97.01 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.833 -0.432 . . . . 10.0 109.833 179.189 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 306' ' ' ARG . . . . . 0.462 ' O ' ' HG3' ' A' ' 310' ' ' ARG . 63.1 mtt180 -67.62 -32.01 72.42 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.833 -0.621 . . . . 10.0 110.177 179.488 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 307' ' ' ASP . . . . . 0.704 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 22.7 t70 -73.48 -43.67 59.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 10.0 109.778 179.038 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 308' ' ' ARG . . . . . 0.467 ' HG3' HD11 ' D' ' 469' ' ' LEU . 20.2 mmt180 -64.27 -34.3 77.79 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.932 -0.766 . . . . 10.0 108.932 177.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -64.16 -33.16 75.14 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.009 -0.737 . . . . 10.0 109.009 177.784 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 310' ' ' ARG . . . . . 0.704 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 87.6 mtt180 -60.83 -50.24 74.23 Favored 'General case' 0 C--O 1.225 -0.193 0 N-CA-C 108.536 -0.912 . . . . 10.0 108.536 178.481 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -64.62 -40.1 94.89 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.465 -0.789 . . . . 10.0 110.073 179.264 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -59.19 -51.56 69.45 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.189 179.309 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 89.2 t -68.53 -40.44 82.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.879 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -60.14 -46.75 88.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.881 0.372 . . . . 10.0 110.292 179.542 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -63.15 -40.57 97.95 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.9 -0.591 . . . . 10.0 109.996 179.116 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 316' ' ' LEU . . . . . 0.413 ' O ' ' HG ' ' A' ' 320' ' ' LEU . 20.9 mt -65.7 -44.08 87.22 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.43 179.195 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 317' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 317' ' ' ARG . 19.2 ttm105 -61.46 -46.56 89.52 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.296 -0.411 . . . . 10.0 110.413 179.338 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 5.1 m -66.67 -18.98 65.65 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.661 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -91.16 -38.54 12.67 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.552 -0.536 . . . . 10.0 109.552 179.377 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 320' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 316' ' ' LEU . 93.2 mt -70.46 -32.22 69.69 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.842 -0.617 . . . . 10.0 111.878 -179.699 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 321' ' ' ALA . . . . . 0.449 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -50.39 -59.64 6.82 Favored Pre-proline 0 CA--C 1.537 0.458 0 N-CA-C 112.418 0.525 . . . . 10.0 112.418 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 322' ' ' PRO . . . . . 0.449 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 47.6 Cg_endo -70.17 -26.81 25.26 Favored 'Trans proline' 0 C--N 1.355 0.918 0 C-N-CA 121.831 1.687 . . . . 10.0 111.846 179.29 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 15.5 m-30 -68.76 -48.07 64.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.479 -0.328 . . . . 10.0 110.672 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 324' ' ' SER . . . . . 0.56 ' HA ' ' HB2' ' A' ' 327' ' ' LEU . 7.0 p -69.0 -31.96 71.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.294 0.568 . . . . 10.0 110.151 179.174 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -63.58 -49.62 72.66 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.016 -0.735 . . . . 10.0 109.016 178.357 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 326' ' ' GLU . . . . . 0.563 ' O ' ' HG3' ' A' ' 330' ' ' ARG . 80.8 mt-10 -69.47 -29.29 66.93 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.41 -0.813 . . . . 10.0 109.315 178.611 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 327' ' ' LEU . . . . . 0.56 ' HB2' ' HA ' ' A' ' 324' ' ' SER . 0.5 OUTLIER -59.81 -35.69 75.21 Favored 'General case' 0 CA--C 1.52 -0.185 0 N-CA-C 109.138 -0.69 . . . . 10.0 109.138 178.422 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 328' ' ' ARG . . . . . 0.402 ' HG3' ' O ' ' A' ' 324' ' ' SER . 67.2 mtt180 -63.32 -40.93 98.71 Favored 'General case' 0 CA--C 1.518 -0.287 0 N-CA-C 108.899 -0.778 . . . . 10.0 108.899 178.288 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -67.75 -36.95 81.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.54 -0.755 . . . . 10.0 109.422 179.044 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 330' ' ' ARG . . . . . 0.788 HH21 ' HB3' ' D' ' 447' ' ' GLU . 1.2 mtt180 -64.87 -53.95 38.57 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-N 115.508 -0.769 . . . . 10.0 109.709 178.711 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 84.7 mt -58.18 -45.73 87.01 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.717 -0.674 . . . . 10.0 110.537 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -59.56 -50.75 72.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.344 179.454 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -61.84 -47.33 85.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.515 -0.312 . . . . 10.0 110.973 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 15.1 mmt180 -60.64 -48.88 79.81 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.781 179.433 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 62.6 mt -66.37 -34.48 78.06 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 112.023 0.379 . . . . 10.0 112.023 -179.541 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -68.72 -39.01 80.64 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.738 -0.467 . . . . 10.0 109.738 178.752 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -65.09 -40.8 95.13 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 108.041 -1.096 . . . . 10.0 108.041 177.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 338' ' ' LEU . . . . . 0.412 ' O ' ' HA3' ' A' ' 342' ' ' GLY . 42.7 mt -66.13 -24.94 66.77 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-N 115.286 -0.87 . . . . 10.0 110.885 178.659 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 48.9 mttt -80.63 -48.63 12.37 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.81 0.338 . . . . 10.0 110.584 179.241 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -64.93 -55.12 21.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.282 179.288 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -68.75 -39.69 80.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.224 179.692 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 342' ' ' GLY . . . . . 0.412 ' HA3' ' O ' ' A' ' 338' ' ' LEU . . . -61.76 -39.36 97.34 Favored Glycine 0 N--CA 1.453 -0.219 0 N-CA-C 111.278 -0.729 . . . . 10.0 111.278 179.127 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -63.04 -41.51 99.83 Favored Glycine 0 N--CA 1.446 -0.669 0 N-CA-C 110.573 -1.011 . . . . 10.0 110.573 178.756 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -66.42 -43.83 84.61 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 108.946 -0.761 . . . . 10.0 108.946 178.58 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 29.8 mtm180 -59.28 -43.72 92.52 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.831 178.739 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 30.6 mt -62.75 -46.52 87.66 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.015 178.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.69 -42.74 89.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.0 -0.546 . . . . 10.0 109.664 179.314 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 348' ' ' GLU . . . . . 0.604 ' HB3' ' HE2' ' A' ' 352' ' ' LYS . 2.6 mt-10 -66.47 -42.19 87.91 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.679 -0.691 . . . . 10.0 109.915 178.387 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 8.5 m-30 -62.1 -41.01 97.78 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.868 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 53.0 m-70 -62.38 -43.4 98.91 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 109.671 -0.492 . . . . 10.0 109.671 179.178 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -65.74 -46.27 79.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.787 -0.642 . . . . 10.0 109.525 178.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 352' ' ' LYS . . . . . 0.604 ' HE2' ' HB3' ' A' ' 348' ' ' GLU . 30.5 mttm -59.75 -43.68 94.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.39 179.27 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -63.59 -39.46 94.45 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.97 -0.381 . . . . 10.0 109.97 178.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 86.7 m -63.77 -48.26 77.66 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.7 -0.481 . . . . 10.0 109.7 178.791 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -63.39 -34.8 78.52 Favored 'General case' 0 C--O 1.226 -0.169 0 CA-C-O 121.01 0.433 . . . . 10.0 110.213 179.343 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 356' ' ' HIS . . . . . 0.461 ' O ' ' HB2' ' A' ' 360' ' ' LEU . 0.1 OUTLIER -73.1 -26.01 61.09 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.958 179.347 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 52.3 mt -79.18 -39.92 32.15 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.758 0.313 . . . . 10.0 110.587 179.296 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 1.2 p -66.91 -38.4 86.16 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.673 -0.492 . . . . 10.0 109.673 178.539 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 17.2 p -73.82 -30.02 62.47 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 116.005 -0.543 . . . . 10.0 109.837 178.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 360' ' ' LEU . . . . . 0.595 HD12 ' HD2' ' A' ' 363' ' ' LYS . 24.5 tp -69.21 -25.95 64.57 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 108.92 -0.77 . . . . 10.0 108.92 178.461 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 24.7 m -66.16 -25.78 67.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.619 -0.719 . . . . 10.0 110.207 179.387 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 362' ' ' GLU . . . . . 0.416 ' O ' ' HD2' ' A' ' 366' ' ' PRO . 7.4 mm-40 -71.5 -23.68 61.84 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 108.874 -0.787 . . . . 10.0 108.874 178.584 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 363' ' ' LYS . . . . . 0.829 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 87.6 mttt -91.81 -30.1 16.4 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.341 -0.845 . . . . 10.0 109.587 178.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 364' ' ' ALA . . . . . 0.453 ' HA ' HD12 ' A' ' 368' ' ' LEU . . . -80.7 -29.54 36.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.791 -0.64 . . . . 10.0 112.461 -179.293 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 365' ' ' LYS . . . . . 0.865 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 43.0 mtmt -105.7 -75.43 0.02 OUTLIER Pre-proline 0 CA--C 1.539 0.521 0 N-CA-C 113.083 0.771 . . . . 10.0 113.083 179.616 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 366' ' ' PRO . . . . . 0.865 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 31.9 Cg_exo -60.06 -56.85 0.95 Allowed 'Trans proline' 0 C--N 1.358 1.035 0 C-N-CA 122.21 1.94 . . . . 10.0 113.041 -179.178 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 367' ' ' ALA . . . . . 0.829 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -57.22 -48.2 79.41 Favored 'General case' 0 C--N 1.333 -0.135 0 N-CA-C 111.943 0.349 . . . . 10.0 111.943 -179.208 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 368' ' ' LEU . . . . . 0.453 HD12 ' HA ' ' A' ' 364' ' ' ALA . 2.3 mt -63.15 -36.06 82.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.65 0.262 . . . . 10.0 110.905 179.513 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -63.67 -48.77 75.85 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 109.226 -0.657 . . . . 10.0 109.226 178.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -59.07 -42.37 90.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.652 -0.704 . . . . 10.0 109.888 179.129 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 371' ' ' LEU . . . . . 0.427 ' O ' ' HG ' ' A' ' 375' ' ' LEU . 83.8 mt -64.26 -50.34 68.35 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.663 -0.698 . . . . 10.0 110.783 179.543 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 372' ' ' ARG . . . . . 0.431 ' O ' ' HG ' ' A' ' 376' ' ' LEU . 87.8 mtt180 -61.42 -46.96 87.94 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.448 -0.342 . . . . 10.0 111.647 -179.304 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -66.85 -19.96 65.83 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.935 0.397 . . . . 10.0 110.806 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -88.58 -37.33 7.53 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.935 -0.65 . . . . 10.0 111.553 178.818 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 375' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 371' ' ' LEU . 92.2 mt -72.68 -25.73 61.36 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 111.833 0.309 . . . . 10.0 111.833 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 376' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 372' ' ' ARG . 58.6 mt -54.46 -59.28 10.69 Favored Pre-proline 0 CA--C 1.537 0.48 0 N-CA-C 111.679 0.251 . . . . 10.0 111.679 179.394 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -65.87 -27.23 51.45 Favored 'Trans proline' 0 C--N 1.357 0.991 0 C-N-CA 121.955 1.77 . . . . 10.0 110.806 178.232 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 18.0 t -62.51 -47.53 92.53 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 N-CA-C 108.589 -0.893 . . . . 10.0 108.589 178.257 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 379' ' ' LEU . . . . . 0.475 ' O ' ' HG3' ' A' ' 383' ' ' LYS . 81.1 mt -61.44 -39.77 92.02 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.114 -0.698 . . . . 10.0 109.114 178.556 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -58.63 -48.94 79.3 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.839 -0.619 . . . . 10.0 111.127 179.309 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 5.3 p -67.56 -34.29 76.76 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 121.133 0.492 . . . . 10.0 110.468 179.278 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -68.13 -37.24 80.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.798 179.427 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 383' ' ' LYS . . . . . 0.475 ' HG3' ' O ' ' A' ' 379' ' ' LEU . 79.7 mttt -60.55 -50.55 73.08 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.683 -0.488 . . . . 10.0 109.683 179.223 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 51.9 t -59.89 -47.56 91.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.53 -0.759 . . . . 10.0 111.144 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 2.6 p -65.23 -40.89 94.69 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.63 -0.259 . . . . 10.0 111.695 -179.555 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -66.52 -41.37 88.92 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.596 0.236 . . . . 10.0 110.704 179.248 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 387' ' ' LEU . . . . . 0.463 ' O ' ' HG3' ' A' ' 391' ' ' GLU . 85.5 mt -63.6 -47.2 82.4 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.898 179.656 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 388' ' ' SER . . . . . 0.678 ' HB2' ' HE2' ' D' ' 594' ' ' LYS . 2.5 p -66.66 -33.75 76.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.846 0.355 . . . . 10.0 110.423 179.27 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -63.85 -43.41 96.22 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 109.334 -0.617 . . . . 10.0 109.334 178.593 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 76.0 mt -60.02 -37.79 80.76 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 116.162 -0.472 . . . . 10.0 109.864 178.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 391' ' ' GLU . . . . . 0.463 ' HG3' ' O ' ' A' ' 387' ' ' LEU . 42.2 mt-10 -63.99 -44.2 93.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.168 0.508 . . . . 10.0 109.894 178.618 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -63.18 -40.48 97.64 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.811 -0.632 . . . . 10.0 111.637 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 393' ' ' TYR . . . . . 0.412 ' O ' ' HB2' ' A' ' 397' ' ' LEU . 59.0 m-85 -76.72 2.76 13.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.877 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 57.2 m -114.26 -47.28 2.94 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.366 -0.379 . . . . 10.0 110.752 178.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -60.37 -34.14 73.45 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.794 0.664 . . . . 10.0 112.794 -179.166 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 1.9 mptt -111.23 11.69 21.77 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 113.585 0.958 . . . . 10.0 113.585 -178.197 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 397' ' ' LEU . . . . . 0.412 ' HB2' ' O ' ' A' ' 393' ' ' TYR . 66.1 mt -130.14 -13.15 4.03 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.389 0.515 . . . . 10.0 112.389 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 48.8 t30 . . . . . 0 C--N 1.327 -0.412 0 CA-C-N 116.566 -0.288 . . . . 10.0 110.652 179.925 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 4.2 mm? . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.981 0.419 . . . . 10.0 110.52 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 4.7 mtpm? -129.15 22.26 5.69 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.662 -0.699 . . . . 10.0 109.658 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 94.7 mt -78.63 -27.38 45.39 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.26 -0.882 . . . . 10.0 109.806 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 95.5 mt -63.65 -39.63 94.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.599 -0.728 . . . . 10.0 109.975 179.26 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -61.36 -47.32 86.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.296 -0.866 . . . . 10.0 109.765 179.462 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -67.82 -36.41 80.33 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.826 -0.624 . . . . 10.0 110.51 179.165 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.85 -32.57 71.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.502 . . . . 10.0 110.245 179.236 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -61.63 -45.58 93.46 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 115.909 -0.587 . . . . 10.0 109.472 178.665 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 1.5 m -61.39 -38.78 88.31 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 115.945 -0.571 . . . . 10.0 110.274 179.279 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 49.1 t -66.16 -42.97 92.19 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 CA-C-N 115.77 -0.65 . . . . 10.0 109.713 178.685 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 8.9 m -63.78 -40.4 96.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.211 179.432 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 13.1 m -62.15 -48.39 80.28 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 116.196 -0.457 . . . . 10.0 110.654 179.215 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 1.1 p -64.77 -36.69 85.14 Favored 'General case' 0 N--CA 1.456 -0.151 0 CA-C-N 116.671 -0.241 . . . . 10.0 111.111 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 4.7 m-30 -65.7 -43.61 88.65 Favored 'General case' 0 CA--C 1.522 -0.106 0 N-CA-C 109.904 -0.406 . . . . 10.0 109.904 179.058 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 20.3 m -66.45 -36.77 83.61 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 109.313 -0.625 . . . . 10.0 109.313 178.684 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 50.6 mmtt -66.33 -33.17 75.12 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 115.968 -0.56 . . . . 10.0 110.284 178.777 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 20.8 mt -65.41 -39.85 92.68 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 108.894 -0.78 . . . . 10.0 108.894 177.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -67.73 -36.71 81.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.538 -0.756 . . . . 10.0 109.888 178.702 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -64.24 -30.37 71.43 Favored 'General case' 0 C--N 1.334 -0.076 0 CA-C-N 115.663 -0.698 . . . . 10.0 109.398 178.342 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -80.06 -47.95 14.05 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.762 -0.654 . . . . 10.0 109.474 178.465 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 41.0 mt -46.62 -45.99 19.42 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 115.373 -0.83 . . . . 10.0 112.846 -179.398 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -49.78 -75.15 0.22 Allowed Glycine 0 C--N 1.335 0.496 0 C-N-CA 121.243 -0.503 . . . . 10.0 112.983 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 421' ' ' PRO . . . . . 0.628 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 50.2 Cg_exo -55.94 -45.89 35.31 Favored 'Trans proline' 0 CA--C 1.528 0.186 0 C-N-CA 122.865 2.377 . . . . 10.0 112.389 179.233 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 422' ' ' VAL . . . . . 0.471 ' O ' ' HB2' ' D' ' 426' ' ' PHE . 63.7 t -55.64 -49.88 70.97 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 N-CA-C 113.008 0.744 . . . . 10.0 113.008 -178.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 29.7 p -64.27 -39.74 94.55 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.919 -0.312 . . . . 10.0 111.221 -179.421 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -60.26 -51.62 68.79 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.539 -0.301 . . . . 10.0 110.757 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 425' ' ' GLU . . . . . 0.628 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 9.3 pt-20 -70.6 -31.73 68.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.828 179.768 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 426' ' ' PHE . . . . . 0.471 ' HB2' ' O ' ' D' ' 422' ' ' VAL . 5.4 t80 -67.6 -38.68 84.32 Favored 'General case' 0 CA--C 1.521 -0.166 0 N-CA-C 109.336 -0.616 . . . . 10.0 109.336 178.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 427' ' ' TRP . . . . . 0.479 ' O ' ' HG3' ' D' ' 431' ' ' GLU . 4.2 m95 -67.2 -40.06 86.44 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.285 -0.635 . . . . 10.0 109.285 178.189 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 428' ' ' ASP . . . . . 0.402 ' O ' ' HG3' ' D' ' 432' ' ' LYS . 23.5 t70 -65.89 -33.61 76.22 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.786 -0.82 . . . . 10.0 108.786 177.759 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -69.78 -41.23 75.39 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.959 -0.756 . . . . 10.0 108.959 177.332 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 430' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' D' ' 426' ' ' PHE . 79.2 mt -61.3 -37.56 83.64 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 115.594 -0.73 . . . . 10.0 109.165 178.404 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 431' ' ' GLU . . . . . 0.479 ' HG3' ' O ' ' D' ' 427' ' ' TRP . 29.2 mt-10 -65.37 -41.78 93.44 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.167 -0.679 . . . . 10.0 109.167 178.089 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 432' ' ' LYS . . . . . 0.402 ' HG3' ' O ' ' D' ' 428' ' ' ASP . 40.8 mttp -61.07 -44.17 97.78 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.227 -0.657 . . . . 10.0 109.227 178.14 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -64.64 -48.21 75.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.551 -0.749 . . . . 10.0 111.452 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 3.2 p -63.41 -41.12 98.72 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.925 -0.31 . . . . 10.0 110.396 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -61.29 -46.54 89.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.92 0.391 . . . . 10.0 110.03 178.381 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -62.23 -47.96 86.03 Favored Glycine 0 N--CA 1.443 -0.898 0 N-CA-C 110.268 -1.133 . . . . 10.0 110.268 178.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 437' ' ' LEU . . . . . 0.414 ' O ' ' HB2' ' D' ' 441' ' ' MET . 60.9 mt -60.88 -32.32 71.77 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 115.773 -0.213 . . . . 10.0 110.808 179.263 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 51.1 mtt180 -67.32 -43.2 82.18 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.567 -0.531 . . . . 10.0 109.567 178.468 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -65.42 -35.17 80.13 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.787 -0.642 . . . . 10.0 109.989 179.439 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -76.74 -50.75 12.84 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.753 -0.658 . . . . 10.0 110.436 179.302 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 441' ' ' MET . . . . . 0.414 ' HB2' ' O ' ' D' ' 437' ' ' LEU . 13.2 mmm -63.11 -34.22 77.13 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 113.716 1.006 . . . . 10.0 113.716 -178.653 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 4.1 p -62.04 -52.6 63.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.318 0.58 . . . . 10.0 109.841 179.353 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 443' ' ' LYS . . . . . 0.511 ' O ' ' HB2' ' D' ' 447' ' ' GLU . 63.0 tttp -66.47 -37.83 85.98 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.445 -0.798 . . . . 10.0 109.871 179.159 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -62.12 -56.21 21.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.755 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 21.0 mt -61.81 -47.4 85.3 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.299 0.481 . . . . 10.0 112.299 -179.288 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 50.4 mm-40 -59.58 -46.03 90.13 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 120.849 0.357 . . . . 10.0 110.869 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 447' ' ' GLU . . . . . 0.788 ' HB3' HH21 ' A' ' 330' ' ' ARG . 5.9 tt0 -68.2 -34.33 76.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.011 -0.54 . . . . 10.0 109.603 179.223 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 1.5 t -60.14 -41.58 87.08 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.172 0 CA-C-N 115.902 -0.59 . . . . 10.0 109.963 179.002 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -60.19 -45.36 93.41 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.114 0.483 . . . . 10.0 109.845 179.017 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -76.95 5.01 8.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.72 -0.673 . . . . 10.0 111.512 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 56.8 mttm -115.3 -44.76 2.97 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.375 -0.375 . . . . 10.0 110.475 179.174 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 95.1 t -65.36 -39.38 85.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.693 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 453' ' ' GLN . . . . . 0.478 ' HB2' ' HD3' ' D' ' 454' ' ' PRO . 66.8 mt-30 -55.38 -60.59 7.92 Favored Pre-proline 0 CA--C 1.537 0.469 0 CA-C-N 116.691 -0.231 . . . . 10.0 111.249 179.145 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 454' ' ' PRO . . . . . 0.478 ' HD3' ' HB2' ' D' ' 453' ' ' GLN . 41.3 Cg_endo -69.05 -23.26 34.25 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.014 1.809 . . . . 10.0 111.761 178.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 455' ' ' TYR . . . . . 0.438 ' O ' ' HB2' ' D' ' 459' ' ' PHE . 55.3 t80 -69.14 -48.2 63.0 Favored 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 108.655 -0.869 . . . . 10.0 108.655 178.61 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 49.8 mt -66.93 -35.25 79.57 Favored 'General case' 0 C--O 1.22 -0.496 0 CA-C-N 115.731 -0.668 . . . . 10.0 109.521 178.506 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 457' ' ' ASP . . . . . 0.457 ' HB3' ' HA ' ' D' ' 454' ' ' PRO . 6.0 t70 -61.54 -54.02 48.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.055 178.678 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 458' ' ' ASP . . . . . 0.574 ' HA ' ' HD2' ' D' ' 461' ' ' LYS . 35.8 t70 -64.4 -34.85 79.12 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.844 -0.617 . . . . 10.0 110.379 179.579 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 459' ' ' PHE . . . . . 0.438 ' HB2' ' O ' ' D' ' 455' ' ' TYR . 0.2 OUTLIER -69.95 -40.09 75.65 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.329 178.782 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -63.97 -35.21 79.94 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 109.255 -0.646 . . . . 10.0 109.255 178.507 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 461' ' ' LYS . . . . . 0.574 ' HD2' ' HA ' ' D' ' 458' ' ' ASP . 67.0 mttt -63.46 -46.22 87.21 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 115.626 -0.716 . . . . 10.0 109.141 177.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 6.9 mtmm -67.22 -34.96 78.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.056 178.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 17.8 m0 -63.98 -49.19 73.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.709 -0.678 . . . . 10.0 109.388 178.534 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -62.07 -41.94 98.68 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 115.833 -0.621 . . . . 10.0 110.109 179.094 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 465' ' ' GLU . . . . . 0.606 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 34.6 mt-10 -56.93 -53.71 54.85 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 109.756 -0.461 . . . . 10.0 109.756 179.073 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -61.34 -40.76 95.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.893 -0.594 . . . . 10.0 110.343 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 56.6 ttm -60.75 -47.69 85.15 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.14 -0.482 . . . . 10.0 109.932 179.397 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -63.6 -43.38 97.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.952 -0.567 . . . . 10.0 109.809 178.784 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 469' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' D' ' 465' ' ' GLU . 88.8 mt -62.93 -36.43 83.38 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.668 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 11.5 m-30 -65.91 -29.16 69.54 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.979 0.418 . . . . 10.0 110.816 179.406 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 74.5 mtt180 -73.2 -18.87 61.21 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.228 -0.656 . . . . 10.0 109.228 178.516 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -109.12 3.26 21.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.766 -0.652 . . . . 10.0 111.032 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 473' ' ' LYS . . . . . 0.651 ' HG2' HD13 ' A' ' 301' ' ' LEU . 52.0 mttp -125.51 -67.04 0.91 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.622 179.71 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 30.0 t -62.71 -43.34 98.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 10.0 111.389 -179.193 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -57.12 -59.47 12.57 Favored Pre-proline 0 CA--C 1.538 0.511 0 N-CA-C 112.657 0.614 . . . . 10.0 112.657 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -62.82 -38.61 47.38 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 121.725 1.617 . . . . 10.0 111.248 178.564 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 27.3 mt -63.7 -32.59 74.13 Favored 'General case' 0 C--O 1.22 -0.476 0 CA-C-N 116.699 -0.228 . . . . 10.0 110.414 179.215 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 13.7 mtt180 -61.29 -47.04 87.81 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.278 -0.638 . . . . 10.0 109.278 178.773 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -64.6 -44.53 90.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.578 179.734 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -64.93 -44.64 88.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.731 179.451 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 65.3 mt -66.55 -31.92 72.94 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.883 -0.414 . . . . 10.0 109.883 178.421 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -67.49 -40.97 85.22 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 108.782 -0.821 . . . . 10.0 108.782 177.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.12 -41.15 95.12 Favored 'General case' 0 CA--C 1.517 -0.29 0 N-CA-C 109.16 -0.681 . . . . 10.0 109.16 178.599 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -66.15 -36.93 92.53 Favored Glycine 0 N--CA 1.441 -0.972 0 N-CA-C 110.262 -1.135 . . . . 10.0 110.262 178.356 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -66.96 -43.63 82.6 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 109.045 -0.724 . . . . 10.0 109.045 178.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 81.5 mtt180 -64.51 -40.3 95.38 Favored 'General case' 0 CA--C 1.518 -0.272 0 O-C-N 123.596 0.56 . . . . 10.0 109.802 178.718 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.17 -53.6 53.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.816 -0.629 . . . . 10.0 109.712 179.048 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 70.0 tttt -65.54 -32.82 74.61 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.777 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 489' ' ' LEU . . . . . 0.458 ' O ' ' HG3' ' D' ' 493' ' ' GLN . 1.6 mt -63.83 -47.8 79.37 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 108.639 -0.874 . . . . 10.0 108.639 178.277 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -62.02 -43.96 97.73 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 108.353 -0.98 . . . . 10.0 108.353 178.398 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -54.72 -51.71 64.76 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.64 -0.709 . . . . 10.0 109.246 178.168 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 92.5 mt -60.75 -47.33 86.81 Favored 'General case' 0 C--O 1.217 -0.616 0 CA-C-N 115.461 -0.791 . . . . 10.0 111.353 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 493' ' ' GLN . . . . . 0.458 ' HG3' ' O ' ' D' ' 489' ' ' LEU . 95.6 mt-30 -59.73 -37.53 79.2 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.067 0.46 . . . . 10.0 111.293 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -69.74 -7.11 36.67 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.023 -0.535 . . . . 10.0 111.358 179.25 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 495' ' ' LYS . . . . . 0.899 ' HE3' HD22 ' A' ' 279' ' ' LEU . 16.5 mttp -116.76 -33.62 4.75 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.879 179.257 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 81.3 mt -64.67 -28.0 69.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.452 -0.34 . . . . 10.0 111.506 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 497' ' ' SER . . . . . 0.494 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 6.5 m -74.43 -60.92 1.27 Allowed Pre-proline 0 C--N 1.323 -0.546 0 C-N-CA 120.672 -0.411 . . . . 10.0 111.432 178.762 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 498' ' ' PRO . . . . . 0.494 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 30.1 Cg_endo -65.21 -50.35 2.1 Favored 'Trans proline' 0 C--N 1.359 1.107 0 C-N-CA 121.719 1.613 . . . . 10.0 112.244 179.463 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 499' ' ' LEU . . . . . 0.592 ' HB2' ' O ' ' D' ' 495' ' ' LYS . 6.5 mp -69.04 -28.73 66.82 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 120.548 0.213 . . . . 10.0 110.767 -179.696 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -65.89 -51.33 46.9 Favored Glycine 0 N--CA 1.446 -0.655 0 N-CA-C 110.014 -1.234 . . . . 10.0 110.014 178.263 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -65.36 -33.97 77.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.201 0.524 . . . . 10.0 109.616 178.294 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 502' ' ' GLU . . . . . 0.51 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 19.7 tt0 -63.97 -52.39 59.9 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.558 -0.746 . . . . 10.0 109.554 179.005 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 503' ' ' MET . . . . . 0.603 ' HA ' ' HD2' ' D' ' 506' ' ' ARG . 74.0 mmm -61.28 -37.22 82.38 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 121.019 0.438 . . . . 10.0 110.374 179.045 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 504' ' ' ARG . . . . . 0.447 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 76.9 mtt180 -65.67 -43.51 89.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.893 -0.594 . . . . 10.0 109.842 178.684 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 505' ' ' ASP . . . . . 0.728 ' HA ' ' HD2' ' D' ' 508' ' ' ARG . 4.6 t70 -69.09 -35.44 76.5 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.413 -0.358 . . . . 10.0 110.236 179.432 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 506' ' ' ARG . . . . . 0.603 ' HD2' ' HA ' ' D' ' 503' ' ' MET . 52.1 mtt180 -61.4 -43.44 98.86 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 107.525 -1.287 . . . . 10.0 107.525 177.179 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -61.82 -39.07 90.49 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-N 114.975 -1.012 . . . . 10.0 109.567 178.492 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 508' ' ' ARG . . . . . 0.728 ' HD2' ' HA ' ' D' ' 505' ' ' ASP . 83.7 mtt180 -61.26 -43.89 98.13 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.184 -0.673 . . . . 10.0 109.184 178.417 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 509' ' ' ALA . . . . . 0.4 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -63.86 -32.19 73.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.499 -0.773 . . . . 10.0 111.34 179.648 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 510' ' ' HIS . . . . . 0.506 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 80.3 m-70 -83.09 -46.88 12.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.204 179.778 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 79.2 t -63.22 -41.35 92.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.556 -0.293 . . . . 10.0 110.623 179.632 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 512' ' ' ASP . . . . . 0.592 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 15.0 t70 -65.9 -35.65 81.21 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.502 -0.555 . . . . 10.0 109.502 178.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -67.08 -43.16 83.31 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 108.648 -0.871 . . . . 10.0 108.648 178.071 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 514' ' ' LEU . . . . . 0.627 ' HA ' ' HB2' ' D' ' 517' ' ' HIS . 96.0 mt -60.6 -24.9 65.85 Favored 'General case' 0 CA--C 1.526 0.038 0 CA-C-O 120.97 0.414 . . . . 10.0 110.748 179.171 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 515' ' ' ARG . . . . . 0.592 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 77.7 mtt180 -69.47 -22.73 63.61 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.537 -0.542 . . . . 10.0 109.537 178.522 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.12 -4.58 15.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.807 -0.633 . . . . 10.0 110.109 179.119 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 517' ' ' HIS . . . . . 0.627 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 0.3 OUTLIER -103.45 -48.52 3.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.778 -0.647 . . . . 10.0 111.343 -179.565 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 52.2 mt -94.36 -49.44 5.7 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.265 -0.425 . . . . 10.0 112.126 -178.236 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 519' ' ' ALA . . . . . 0.557 ' HB3' ' O ' ' D' ' 515' ' ' ARG . . . -51.46 -55.31 30.33 Favored Pre-proline 0 CA--C 1.54 0.593 0 N-CA-C 114.298 1.221 . . . . 10.0 114.298 -178.535 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 520' ' ' PRO . . . . . 0.535 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 15.8 Cg_exo -70.72 -36.04 8.89 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 121.988 1.792 . . . . 10.0 111.812 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -69.53 -34.88 74.89 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.753 -0.658 . . . . 10.0 112.125 -178.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 522' ' ' SER . . . . . 0.571 ' HA ' HD12 ' D' ' 525' ' ' LEU . 3.1 p -63.96 -32.56 74.13 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.65 -0.5 . . . . 10.0 109.65 179.456 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 523' ' ' ASP . . . . . 0.759 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 13.3 t70 -70.52 -37.15 74.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.886 -0.597 . . . . 10.0 109.498 178.563 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -67.64 -35.33 78.69 Favored 'General case' 0 CA--C 1.521 -0.139 0 N-CA-C 108.453 -0.943 . . . . 10.0 108.453 177.767 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 525' ' ' LEU . . . . . 0.571 HD12 ' HA ' ' D' ' 522' ' ' SER . 74.9 mt -65.91 -36.18 82.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.351 -0.84 . . . . 10.0 108.953 177.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 526' ' ' ARG . . . . . 0.759 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 80.1 mtt180 -60.81 -32.5 71.87 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.509 179.517 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -67.37 -42.82 82.81 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.036 -0.727 . . . . 10.0 109.036 178.718 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 528' ' ' ARG . . . . . 0.748 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 84.1 mtt180 -69.5 -39.24 77.72 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.05 -0.977 . . . . 10.0 109.004 179.208 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 529' ' ' LEU . . . . . 0.48 ' O ' ' HB2' ' D' ' 533' ' ' LEU . 32.9 mt -61.02 -35.34 76.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.716 -0.674 . . . . 10.0 110.101 178.398 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -69.9 -40.19 75.76 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 115.812 -0.631 . . . . 10.0 109.654 178.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -68.26 -45.98 71.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.044 -0.525 . . . . 10.0 109.981 179.254 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 -60.79 -41.72 96.16 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.054 -0.721 . . . . 10.0 109.054 178.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 533' ' ' LEU . . . . . 0.48 ' HB2' ' O ' ' D' ' 529' ' ' LEU . 1.2 mt -67.47 -38.65 84.74 Favored 'General case' 0 C--O 1.221 -0.418 0 CA-C-N 115.848 -0.614 . . . . 10.0 110.483 178.824 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -61.49 -42.99 99.63 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.594 -0.521 . . . . 10.0 109.594 179.665 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -67.62 -44.5 77.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.85 -0.614 . . . . 10.0 109.887 178.672 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 58.0 mt -62.34 -37.78 86.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.804 -0.634 . . . . 10.0 110.89 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -74.52 -36.49 63.2 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.532 -0.303 . . . . 10.0 110.998 179.35 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -68.83 -56.83 6.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.792 0.329 . . . . 10.0 110.14 179.602 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 51.8 m-20 -65.58 -31.33 72.32 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 109.093 -0.706 . . . . 10.0 109.093 179.232 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -66.87 -41.56 93.39 Favored Glycine 0 N--CA 1.445 -0.743 0 N-CA-C 110.87 -0.892 . . . . 10.0 110.87 179.038 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -65.08 -38.63 95.58 Favored Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 110.104 -1.198 . . . . 10.0 110.104 178.582 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -67.29 -46.88 72.27 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 109.091 -0.707 . . . . 10.0 109.091 178.328 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 543' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' D' ' 543' ' ' ARG . 57.0 mtt85 -61.53 -28.48 69.35 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.961 179.155 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 20.0 mt -65.42 -44.72 86.49 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.229 -0.656 . . . . 10.0 109.229 178.151 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -69.75 -41.96 74.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.662 -0.699 . . . . 10.0 109.392 178.441 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 546' ' ' GLU . . . . . 0.421 ' O ' ' HB2' ' D' ' 550' ' ' LYS . 64.9 mt-10 -60.5 -47.08 87.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.651 -0.704 . . . . 10.0 110.447 179.191 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 547' ' ' TYR . . . . . 0.416 ' HB2' ' O ' ' D' ' 543' ' ' ARG . 0.8 OUTLIER -65.52 -36.06 82.69 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.879 179.446 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -67.61 -45.99 73.85 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.888 -0.412 . . . . 10.0 109.888 178.82 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -63.25 -41.72 99.1 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 108.968 -0.753 . . . . 10.0 108.968 178.297 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 550' ' ' LYS . . . . . 0.56 ' HD3' HG22 ' A' ' 224' ' ' VAL . 0.0 OUTLIER -62.63 -43.64 98.31 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.528 -0.76 . . . . 10.0 109.983 178.591 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -63.47 -35.28 79.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.283 -0.417 . . . . 10.0 110.38 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 38.8 m -68.58 -47.16 67.49 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.84 -0.618 . . . . 10.0 109.829 179.237 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -66.8 -36.49 82.5 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.134 0.493 . . . . 10.0 109.88 178.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 554' ' ' HIS . . . . . 0.441 ' O ' ' HG ' ' D' ' 558' ' ' LEU . 80.1 t60 -66.86 -43.59 83.2 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.713 -0.676 . . . . 10.0 109.958 178.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 21.4 tp -61.33 -39.56 90.97 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.077 -0.511 . . . . 10.0 111.197 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.76 -40.41 88.23 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.445 -0.343 . . . . 10.0 110.489 179.326 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.87 -29.52 65.64 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 121.011 0.434 . . . . 10.0 109.989 178.451 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 558' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' D' ' 554' ' ' HIS . 24.5 mt -64.71 -54.33 33.17 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 115.828 -0.623 . . . . 10.0 109.417 178.86 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 559' ' ' SER . . . . . 0.582 ' HB2' ' HE3' ' D' ' 563' ' ' LYS . 2.0 p -63.81 -34.81 78.75 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.771 -0.649 . . . . 10.0 110.744 179.545 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -58.97 -33.44 70.66 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 116.045 -0.525 . . . . 10.0 109.89 178.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.5 27.78 9.35 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.054 179.385 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 562' ' ' ALA . . . . . 0.569 ' HB3' ' HA ' ' D' ' 559' ' ' SER . . . -125.95 -49.0 1.61 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.695 -0.684 . . . . 10.0 110.371 179.02 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 563' ' ' LYS . . . . . 0.582 ' HE3' ' HB2' ' D' ' 559' ' ' SER . 94.6 mttt -58.68 -62.13 6.31 Favored Pre-proline 0 CA--C 1.535 0.371 0 CA-C-N 116.519 -0.31 . . . . 10.0 111.373 179.475 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 564' ' ' PRO . . . . . 0.579 ' HD3' ' HB2' ' D' ' 563' ' ' LYS . 57.2 Cg_endo -70.91 -23.77 25.15 Favored 'Trans proline' 0 C--N 1.358 1.063 0 C-N-CA 121.784 1.656 . . . . 10.0 110.934 179.468 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -67.04 -50.69 61.16 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 115.773 -0.649 . . . . 10.0 109.551 179.519 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 43.5 mt -62.73 -34.78 77.9 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 109.336 -0.616 . . . . 10.0 109.336 178.695 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -62.19 -52.58 63.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.498 -0.773 . . . . 10.0 109.208 178.425 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -64.36 -36.02 82.78 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 116.123 -0.49 . . . . 10.0 110.101 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 8.8 mt -59.47 -51.97 67.59 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.262 -0.644 . . . . 10.0 109.262 178.373 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -66.45 -39.18 88.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.35 -0.386 . . . . 10.0 110.889 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -64.7 -23.31 67.21 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.885 179.632 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 572' ' ' GLY . . . . . 0.414 ' O ' ' HB ' ' D' ' 576' ' ' VAL . . . -97.6 -29.74 7.63 Favored Glycine 0 N--CA 1.446 -0.668 0 N-CA-C 111.08 -0.808 . . . . 10.0 111.08 178.591 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 573' ' ' LEU . . . . . 0.404 ' HA ' HG12 ' D' ' 576' ' ' VAL . 32.2 mt -70.54 -38.05 74.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.753 -0.224 . . . . 10.0 111.312 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 76.8 mt -56.37 -61.7 6.19 Favored Pre-proline 0 CA--C 1.536 0.437 0 N-CA-C 112.48 0.548 . . . . 10.0 112.48 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -64.96 -32.9 53.55 Favored 'Trans proline' 0 C--N 1.351 0.665 0 C-N-CA 121.766 1.644 . . . . 10.0 111.982 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 576' ' ' VAL . . . . . 0.414 ' HB ' ' O ' ' D' ' 572' ' ' GLY . 0.3 OUTLIER -68.56 -39.34 80.4 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-O 120.729 0.299 . . . . 10.0 110.671 179.783 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 10.3 mt -65.96 -45.27 82.36 Favored 'General case' 0 CA--C 1.515 -0.402 0 N-CA-C 109.565 -0.532 . . . . 10.0 109.565 178.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -58.8 -42.35 88.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.675 179.35 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 32.2 m -71.1 -40.65 71.38 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.266 -0.424 . . . . 10.0 110.555 179.231 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 3.1 m-30 -64.82 -38.13 89.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.603 -0.271 . . . . 10.0 111.246 179.082 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 83.1 mttt -56.61 -45.71 81.3 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.391 -0.368 . . . . 10.0 110.685 179.188 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 68.8 t -64.43 -38.3 82.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.292 0.568 . . . . 10.0 109.962 179.179 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 5.5 m -65.35 -38.42 90.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.703 -0.68 . . . . 10.0 110.553 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -73.18 -41.61 63.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.278 179.013 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 77.9 mt -60.67 -53.54 56.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.984 -0.553 . . . . 10.0 111.336 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 586' ' ' SER . . . . . 0.402 ' O ' ' HG3' ' D' ' 590' ' ' GLU . 23.4 p -63.05 -30.76 71.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.927 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -71.61 -56.7 5.36 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 116.503 -0.317 . . . . 10.0 110.181 178.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 87.5 mt -57.49 -42.96 83.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.075 -0.512 . . . . 10.0 111.737 -179.591 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 589' ' ' GLU . . . . . 0.429 ' O ' ' HG3' ' D' ' 593' ' ' LYS . 18.7 tt0 -59.41 -50.99 71.84 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.544 -0.298 . . . . 10.0 110.999 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 590' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' D' ' 586' ' ' SER . 5.8 mt-10 -68.56 -33.57 74.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.446 -0.343 . . . . 10.0 111.36 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -61.81 -42.59 99.21 Favored 'General case' 0 C--N 1.333 -0.127 0 N-CA-C 109.66 -0.496 . . . . 10.0 109.66 178.388 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 6.0 m -69.05 -30.43 68.78 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.163 179.358 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 593' ' ' LYS . . . . . 0.429 ' HG3' ' O ' ' D' ' 589' ' ' GLU . 85.5 mttt -68.84 -37.94 79.48 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.923 0.392 . . . . 10.0 110.209 178.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 594' ' ' LYS . . . . . 0.678 ' HE2' ' HB2' ' A' ' 388' ' ' SER . 12.4 mptt -79.4 -35.57 40.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.976 -0.556 . . . . 10.0 111.085 179.608 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 91.1 mt -88.46 26.35 1.48 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.0 0.429 . . . . 10.0 111.431 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 . . . . . 0 C--N 1.324 -0.524 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.97 -179.826 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.451 -0.401 0 CA-C-O 121.269 0.557 . . . . 10.0 110.683 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 2' ' ' THR . . . . . 0.45 ' HB ' ' CE2' ' B' ' 4' ' ' TYR . 0.0 OUTLIER -85.98 118.24 25.34 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.277 -179.663 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -85.91 127.83 34.7 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.767 -0.457 . . . . 10.0 109.767 179.649 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 4' ' ' TYR . . . . . 0.45 ' CE2' ' HB ' ' B' ' 2' ' ' THR . 46.8 m-85 -124.63 119.75 29.9 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 120.725 0.297 . . . . 10.0 110.75 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 50.2 mttm -87.21 110.22 20.02 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.044 -0.525 . . . . 10.0 111.005 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.528 HD11 HD22 ' B' ' 53' ' ' LEU . 0.4 OUTLIER -115.09 127.27 55.5 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.589 -179.115 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 7' ' ' VAL . . . . . 0.437 HG11 ' CD2' ' B' ' 71' ' ' TYR . 47.7 t -114.45 124.64 71.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.015 0.436 . . . . 10.0 110.721 179.419 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.637 HG12 ' HD2' ' B' ' 16' ' ' LYS . 6.0 t -86.89 110.23 20.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.08 -0.711 . . . . 10.0 109.08 179.034 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 16.1 m -111.63 147.96 15.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.184 0.516 . . . . 10.0 111.769 -178.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 149.87 175.8 22.41 Favored Glycine 0 N--CA 1.446 -0.692 0 CA-C-N 115.57 -0.741 . . . . 10.0 111.477 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.18 178.01 4.11 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.01 0.433 . . . . 10.0 111.138 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -89.8 146.39 24.49 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.416 -0.357 . . . . 10.0 110.689 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 83.72 7.21 86.26 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 121.051 -0.595 . . . . 10.0 113.623 179.143 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 24.3 m -89.65 -16.85 8.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 112.265 0.468 . . . . 10.0 112.265 -179.273 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' GLY . . . . . 0.404 ' HA3' ' ND2' ' B' ' 116' ' ' ASN . . . 110.35 22.16 6.59 Favored Glycine 0 C--N 1.331 0.281 0 C-N-CA 120.534 -0.841 . . . . 10.0 113.34 179.224 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 16' ' ' LYS . . . . . 0.637 ' HD2' HG12 ' B' ' 8' ' ' VAL . 11.6 mtmm -60.17 -42.54 95.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.221 0.534 . . . . 10.0 111.184 -179.414 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 17' ' ' SER . . . . . 0.431 ' O ' HG13 ' B' ' 21' ' ' ILE . 60.9 m -86.21 -33.54 20.73 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.974 -179.368 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.59 -46.34 87.16 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.949 179.575 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 88.8 mt -63.69 -39.28 93.93 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.198 0.523 . . . . 10.0 110.695 179.337 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 25.3 m -68.35 -42.05 79.79 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.892 -0.594 . . . . 10.0 111.023 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 21' ' ' ILE . . . . . 0.431 HG13 ' O ' ' B' ' 17' ' ' SER . 97.8 mt -63.34 -35.65 73.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 109.819 -0.437 . . . . 10.0 109.819 179.397 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 22' ' ' GLN . . . . . 0.446 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 6.7 mm-40 -70.75 -16.85 62.79 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.236 179.374 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -94.4 -39.0 10.69 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.086 0.469 . . . . 10.0 111.267 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 38.5 mm -86.68 -65.62 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.111 -0.495 . . . . 10.0 111.96 -179.166 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -83.18 -13.83 54.65 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.86 0.362 . . . . 10.0 111.834 -179.027 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 26' ' ' ASN . . . . . 0.446 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 54.3 m-80 62.54 44.52 6.89 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 113.97 1.1 . . . . 10.0 113.97 178.065 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 5.6 p80 -152.48 159.39 43.34 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 122.246 -0.284 . . . . 10.0 111.058 178.641 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -114.2 121.07 42.61 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.272 -0.422 . . . . 10.0 111.377 -179.039 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 6.7 m -95.93 142.97 12.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.124 -0.489 . . . . 10.0 109.795 179.054 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.13 15.66 14.73 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.011 0.434 . . . . 10.0 110.321 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -104.79 131.47 52.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.464 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -81.9 120.3 25.03 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.952 -0.388 . . . . 10.0 109.952 178.573 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 33' ' ' ASP . . . . . 0.492 ' HA ' ' HD3' ' B' ' 34' ' ' PRO . 2.1 t70 -117.31 117.08 36.88 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-O 121.234 0.54 . . . . 10.0 111.163 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 34' ' ' PRO . . . . . 0.492 ' HD3' ' HA ' ' B' ' 33' ' ' ASP . 2.3 Cg_endo -86.44 63.63 4.86 Favored 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 123.239 2.626 . . . . 10.0 111.77 179.437 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.75 118.27 8.07 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 116.167 -0.469 . . . . 10.0 111.122 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.864 ' HA ' ' HB2' ' B' ' 59' ' ' ALA . 42.6 mm -75.12 -49.44 28.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.502 -0.555 . . . . 10.0 109.502 179.082 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -140.15 115.76 10.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.769 -0.65 . . . . 10.0 110.25 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 38' ' ' ASP . . . . . 0.685 ' HB3' ' HB3' ' B' ' 57' ' ' ASP . 35.0 t0 -140.56 143.6 35.43 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.668 -0.494 . . . . 10.0 109.668 179.52 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 3.0 p -134.18 143.62 48.0 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.739 0.304 . . . . 10.0 111.064 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -138.16 146.96 43.37 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.48 -0.327 . . . . 10.0 111.145 -179.484 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.472 ' HA ' ' O ' ' B' ' 53' ' ' LEU . 2.2 mpp_? -123.49 139.71 53.74 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.07 179.292 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 54.5 tttp -152.16 133.89 14.75 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 110.307 -0.257 . . . . 10.0 110.307 -179.631 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.25 107.22 18.08 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.961 -0.385 . . . . 10.0 109.961 179.625 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 2.2 m -123.26 160.67 26.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.396 -0.365 . . . . 10.0 111.632 -179.171 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 16.5 t -98.15 103.93 15.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.072 -0.513 . . . . 10.0 109.72 179.522 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 79.8 mt -109.79 118.82 57.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.314 -0.403 . . . . 10.0 110.232 -179.486 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 47' ' ' ASP . . . . . 0.46 ' HA ' ' HB2' ' C' ' 128' ' ' LYS . 74.9 m-20 62.98 29.06 16.47 Favored 'General case' 0 C--O 1.234 0.273 0 O-C-N 123.617 0.573 . . . . 10.0 110.805 -179.63 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.52 -3.69 81.28 Favored Glycine 0 N--CA 1.452 -0.295 0 CA-C-N 115.657 -0.701 . . . . 10.0 111.979 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -107.08 116.85 32.65 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 110.26 -0.274 . . . . 10.0 110.26 -178.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.84 125.09 24.25 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.972 -0.381 . . . . 10.0 109.972 179.552 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 39.4 m -130.56 136.99 49.47 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 121.173 0.511 . . . . 10.0 111.88 -179.029 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 65.0 tp -95.18 113.57 25.27 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.291 -0.868 . . . . 10.0 108.729 178.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 53' ' ' LEU . . . . . 0.528 HD22 HD11 ' B' ' 6' ' ' LEU . 29.5 mt -84.59 117.93 24.04 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.824 -0.625 . . . . 10.0 112.135 -178.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -103.63 79.43 1.68 Allowed 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 107.332 -1.358 . . . . 10.0 107.332 177.62 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 55' ' ' ILE . . . . . 0.411 HG12 HD12 ' B' ' 6' ' ' LEU . 0.9 OUTLIER -79.92 148.14 6.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.088 -0.96 . . . . 10.0 111.834 -177.41 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 29.9 tp -135.74 111.5 9.39 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 115.645 -0.707 . . . . 10.0 110.745 179.376 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 57' ' ' ASP . . . . . 0.685 ' HB3' ' HB3' ' B' ' 38' ' ' ASP . 21.6 t70 -91.52 119.12 31.19 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.581 -0.896 . . . . 10.0 108.581 179.406 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 23.5 p -116.27 152.66 33.39 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.289 -0.414 . . . . 10.0 111.425 -178.382 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 59' ' ' ALA . . . . . 0.864 ' HB2' ' HA ' ' B' ' 36' ' ' ILE . . . -66.34 151.96 46.01 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.393 179.344 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -130.88 37.75 2.05 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.427 -0.892 . . . . 10.0 111.997 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -91.42 12.87 19.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.838 0.351 . . . . 10.0 110.816 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 69.27 172.31 0.3 Allowed 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.501 -0.772 . . . . 10.0 112.089 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 68.8 50.4 0.64 Allowed 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 121.543 0.687 . . . . 10.0 110.195 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 64' ' ' TYR . . . . . 0.492 ' O ' ' HB2' ' B' ' 68' ' ' ARG . 57.0 m-85 -135.29 41.79 2.77 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.516 -0.766 . . . . 10.0 109.391 179.527 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -56.49 -44.78 80.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.66 -0.7 . . . . 10.0 112.653 -178.483 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -77.43 -41.74 38.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.13 0.49 . . . . 10.0 111.883 -179.101 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 28.0 ttt -64.57 -40.24 95.2 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.874 -0.603 . . . . 10.0 111.821 -179.227 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 68' ' ' ARG . . . . . 0.662 ' HG2' ' HE3' ' B' ' 72' ' ' MET . 0.3 OUTLIER -58.84 -48.19 82.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 10.0 111.663 -179.45 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -55.37 -36.85 66.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.562 -0.745 . . . . 10.0 111.798 -179.166 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -61.49 -60.59 3.48 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.466 0.543 . . . . 10.0 112.466 -178.802 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 71' ' ' TYR . . . . . 0.437 ' CD2' HG11 ' B' ' 7' ' ' VAL . 30.1 p90 -71.85 -22.9 61.46 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 113.412 0.893 . . . . 10.0 113.412 -178.725 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 72' ' ' MET . . . . . 0.662 ' HE3' ' HG2' ' B' ' 68' ' ' ARG . 34.1 mtt -65.25 -32.43 74.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.081 0.467 . . . . 10.0 110.65 179.097 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 73' ' ' ARG . . . . . 0.738 ' HG3' HG12 ' B' ' 103' ' ' VAL . 7.6 mtm105 -87.96 1.56 53.81 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.222 -0.444 . . . . 10.0 110.356 179.763 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 9.3 m -108.79 -51.01 2.94 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.617 -179.129 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.93 147.21 46.05 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 121.129 -0.558 . . . . 10.0 113.608 -179.191 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -95.48 -48.9 5.65 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.724 -0.473 . . . . 10.0 109.724 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -108.1 132.28 11.03 Favored Glycine 0 N--CA 1.444 -0.774 0 N-CA-C 111.364 -0.694 . . . . 10.0 111.364 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 78' ' ' PHE . . . . . 0.625 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 82.9 m-85 -110.84 119.88 40.57 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.348 0.594 . . . . 10.0 111.806 -179.48 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 12.6 tp -90.12 104.19 16.78 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.49 -0.777 . . . . 10.0 109.466 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 80' ' ' CYS . . . . . 0.599 ' HB3' HD12 ' B' ' 93' ' ' ILE . 35.5 m -83.66 95.01 8.24 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.458 -0.337 . . . . 10.0 110.37 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 44.9 t -98.31 123.98 51.15 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 CA-C-O 120.935 0.398 . . . . 10.0 110.769 -179.532 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 32.2 p90 -127.23 161.82 27.64 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.364 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.741 ' HB3' ' HB3' ' B' ' 86' ' ' ASN . . . -97.32 125.63 42.03 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.194 179.604 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 2.2 pp -64.51 -23.35 33.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 111.774 0.287 . . . . 10.0 111.774 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 27.3 p-10 -100.02 11.24 39.81 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.322 -0.399 . . . . 10.0 111.117 -179.571 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.741 ' HB3' ' HB3' ' B' ' 83' ' ' ALA . 25.7 t-20 -136.45 95.86 3.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.103 0.478 . . . . 10.0 110.035 179.613 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.97 -30.71 68.13 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.679 -0.691 . . . . 10.0 112.23 -178.809 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -57.77 -47.7 81.78 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.192 -0.458 . . . . 10.0 111.602 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 89' ' ' SER . . . . . 0.471 ' O ' HG12 ' B' ' 93' ' ' ILE . 78.6 p -62.2 -35.81 79.99 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 111.827 0.306 . . . . 10.0 111.827 -179.588 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -66.92 -43.52 83.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.139 0.495 . . . . 10.0 110.535 179.601 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -69.01 -33.01 72.97 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.064 0.459 . . . . 10.0 110.271 178.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.66 -27.48 68.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.392 -0.822 . . . . 10.0 110.983 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 93' ' ' ILE . . . . . 0.599 HD12 ' HB3' ' B' ' 80' ' ' CYS . 44.7 mm -56.84 -38.77 60.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-N 116.092 -0.504 . . . . 10.0 110.157 178.71 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 57.5 t60 -62.6 -46.08 89.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.976 -0.557 . . . . 10.0 109.845 179.568 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 24.2 m-70 -68.57 -31.28 70.37 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.035 -0.53 . . . . 10.0 111.529 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 96' ' ' TYR . . . . . 0.5 ' O ' HG13 ' B' ' 100' ' ' ILE . 20.2 m-30 -67.93 -49.22 63.08 Favored 'General case' 0 CA--C 1.521 -0.165 0 N-CA-C 109.37 -0.604 . . . . 10.0 109.37 178.722 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 97' ' ' ARG . . . . . 0.483 ' CZ ' ' HD3' ' B' ' 101' ' ' LYS . 4.3 tmt_? -58.87 -43.37 90.84 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.756 -0.657 . . . . 10.0 111.034 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -62.15 -35.57 79.19 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.941 0.4 . . . . 10.0 110.69 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 99' ' ' GLN . . . . . 0.465 ' O ' HG23 ' B' ' 103' ' ' VAL . 63.2 tt0 -70.54 -44.34 67.68 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.101 -0.499 . . . . 10.0 109.856 179.165 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 100' ' ' ILE . . . . . 0.5 HG13 ' O ' ' B' ' 96' ' ' TYR . 84.0 mt -56.7 -45.09 82.66 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.746 179.613 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 101' ' ' LYS . . . . . 0.483 ' HD3' ' CZ ' ' B' ' 97' ' ' ARG . 32.4 mtmt -57.67 -40.15 78.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.973 -0.558 . . . . 10.0 111.695 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 15.9 ttm180 -66.95 -45.7 76.97 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.934 -0.576 . . . . 10.0 110.877 -179.679 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 103' ' ' VAL . . . . . 0.738 HG12 ' HG3' ' B' ' 73' ' ' ARG . 33.3 t -66.93 -49.28 75.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.853 -0.612 . . . . 10.0 112.348 -179.081 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 104' ' ' LYS . . . . . 0.436 ' HD2' ' HE2' ' B' ' 78' ' ' PHE . 24.2 mtpp -79.37 -11.53 59.92 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.567 -0.288 . . . . 10.0 111.297 -179.21 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 7.8 t70 56.65 51.19 11.44 Favored 'General case' 0 N--CA 1.465 0.31 0 O-C-N 123.638 0.586 . . . . 10.0 111.594 179.396 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 8.9 t -157.15 152.11 25.9 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.948 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 28.1 tp10 -93.45 -14.52 26.62 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.249 0.547 . . . . 10.0 109.795 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -112.5 106.56 15.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.947 -0.569 . . . . 10.0 110.048 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 109' ' ' VAL . . . . . 0.432 ' HA ' ' HD3' ' B' ' 110' ' ' PRO . 61.9 t -131.77 132.22 23.17 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.404 -0.362 . . . . 10.0 110.325 -179.182 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 110' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 24.7 Cg_exo -64.61 103.59 0.48 Allowed 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.857 2.371 . . . . 10.0 111.829 179.321 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 111' ' ' MET . . . . . 0.625 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 46.6 mtm -134.0 155.91 49.13 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.244 -0.434 . . . . 10.0 110.038 179.774 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 69.4 t -136.2 127.66 43.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.526 -0.546 . . . . 10.0 109.526 179.444 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 19.2 tp -84.92 111.87 20.06 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.399 -0.593 . . . . 10.0 109.399 179.692 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 77.2 t -115.86 118.22 58.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.15 -0.477 . . . . 10.0 111.664 -178.279 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -97.45 122.61 7.52 Favored Glycine 0 N--CA 1.444 -0.773 0 N-CA-C 109.451 -1.46 . . . . 10.0 109.451 178.361 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 116' ' ' ASN . . . . . 0.404 ' ND2' ' HA3' ' B' ' 15' ' ' GLY . 65.0 t30 -105.95 158.56 16.69 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 117.179 0.489 . . . . 10.0 111.613 -178.755 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 70.4 mttt 68.22 29.04 6.24 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 123.862 0.726 . . . . 10.0 111.489 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 94.3 m -64.98 -9.8 24.35 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 112.832 0.678 . . . . 10.0 112.832 -179.457 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -94.41 1.43 55.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.936 0.398 . . . . 10.0 111.465 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 120' ' ' LEU . . . . . 0.475 ' HA ' ' HD3' ' B' ' 121' ' ' PRO . 21.4 mt -85.17 141.56 37.44 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.584 -0.28 . . . . 10.0 110.571 179.298 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 121' ' ' PRO . . . . . 0.475 ' HD3' ' HA ' ' B' ' 120' ' ' LEU . 14.9 Cg_exo -70.29 135.88 30.25 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.906 2.404 . . . . 10.0 112.431 -179.522 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 4.2 m 71.86 93.93 0.08 Allowed 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 113.064 0.764 . . . . 10.0 113.064 179.407 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -106.04 146.45 30.09 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.924 -0.58 . . . . 10.0 109.781 179.176 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.72 -49.6 8.96 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 120.697 0.284 . . . . 10.0 111.45 -179.516 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 95.7 t -89.31 118.31 34.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 N-CA-C 109.525 -0.546 . . . . 10.0 109.525 179.109 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -74.03 152.32 40.03 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.94 -0.573 . . . . 10.0 109.893 179.576 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 1.2 m -59.71 -31.25 69.43 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.427 -0.351 . . . . 10.0 111.021 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 128' ' ' LYS . . . . . 0.79 ' HB3' ' HA ' ' C' ' 47' ' ' ASP . 31.9 mtmm -59.85 -59.55 5.24 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.305 -0.407 . . . . 10.0 111.472 179.532 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -64.37 -30.21 71.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.393 -0.367 . . . . 10.0 111.73 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.8 -45.0 88.12 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.939 0.4 . . . . 10.0 110.637 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -74.45 -25.18 59.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.796 179.61 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -64.28 -48.36 76.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.923 -0.581 . . . . 10.0 110.3 178.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 48.5 tp -61.5 -46.27 90.69 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.174 0.512 . . . . 10.0 110.939 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.8 -39.66 92.49 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.537 -0.756 . . . . 10.0 111.172 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 10.9 ttm180 -59.95 -46.78 88.3 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.408 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 22.3 m -69.7 -28.62 65.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.305 -0.407 . . . . 10.0 111.859 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 2.4 m-30 -78.88 -35.47 43.65 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.146 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 97.43 21.65 19.02 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.821 -0.704 . . . . 10.0 111.596 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 36.4 pt -118.06 153.21 51.17 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-O 120.6 0.238 . . . . 10.0 110.468 -179.562 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -78.13 146.93 23.1 Favored 'Trans proline' 0 CA--C 1.531 0.352 0 C-N-CA 122.404 2.07 . . . . 10.0 112.562 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -114.83 130.73 56.92 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.017 -0.538 . . . . 10.0 109.934 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 142' ' ' ILE . . . . . 0.519 ' CD1' ' HA ' ' B' ' 155' ' ' ALA . 34.9 mt -128.86 133.67 65.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.996 0.427 . . . . 10.0 111.597 -179.439 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -93.04 118.22 30.94 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 107.958 -1.127 . . . . 10.0 107.958 178.184 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 51.6 p -126.38 178.93 5.55 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 113.318 0.859 . . . . 10.0 113.318 -177.327 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 13.5 t -163.06 121.62 2.06 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.9 -1.148 . . . . 10.0 107.9 178.793 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -75.86 -23.74 55.69 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.299 0.571 . . . . 10.0 109.582 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 72.1 tttt -64.97 -52.53 55.78 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.055 -0.975 . . . . 10.0 111.114 179.572 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -92.58 -7.54 46.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.574 0.226 . . . . 10.0 111.117 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 149' ' ' ARG . . . . . 0.422 ' O ' ' HG3' ' B' ' 149' ' ' ARG . 0.6 OUTLIER 60.69 15.6 5.94 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 113.044 0.757 . . . . 10.0 113.044 -179.791 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -84.44 126.73 33.52 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.544 -179.493 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 92.57 -14.87 63.8 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 120.902 -0.666 . . . . 10.0 112.892 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 152' ' ' VAL . . . . . 0.426 ' O ' ' HD2' ' B' ' 156' ' ' PHE . 67.6 t -57.83 -48.9 82.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.923 0.392 . . . . 10.0 111.353 -179.705 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -63.01 -45.37 92.68 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.401 -0.363 . . . . 10.0 110.443 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -55.87 -43.75 77.43 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.716 -0.674 . . . . 10.0 111.61 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 155' ' ' ALA . . . . . 0.519 ' HA ' ' CD1' ' B' ' 142' ' ' ILE . . . -60.06 -47.35 86.24 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.832 -0.622 . . . . 10.0 111.879 179.744 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 156' ' ' PHE . . . . . 0.426 ' HD2' ' O ' ' B' ' 152' ' ' VAL . 46.4 m-85 -66.26 -39.33 89.39 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.751 -179.543 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -63.71 -46.54 85.0 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.228 0.537 . . . . 10.0 110.286 179.451 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 158' ' ' THR . . . . . 0.421 ' O ' ' HG2' ' B' ' 162' ' ' GLU . 59.0 m -59.99 -47.28 86.49 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.2 -0.909 . . . . 10.0 113.002 -178.571 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 55.2 tp -57.6 -41.82 81.98 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 111.919 0.34 . . . . 10.0 111.919 -178.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 78.6 t -61.99 -40.12 86.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.19 0.519 . . . . 10.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 161' ' ' ARG . . . . . 0.554 ' HD2' ' HA ' ' C' ' 132' ' ' ASP . 7.1 ttp180 -69.45 -32.52 71.51 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.883 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 162' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' B' ' 158' ' ' THR . 33.2 mm-40 -67.03 -31.95 72.82 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.97 0.414 . . . . 10.0 110.18 178.787 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 78.6 mt -70.59 -42.91 78.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 108.645 -0.872 . . . . 10.0 108.645 178.534 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 24.9 ttm180 -63.61 -36.94 85.48 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 108.596 -0.89 . . . . 10.0 108.596 178.259 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 114.862 -1.063 . . . . 10.0 110.23 178.834 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 C--O 1.234 0.243 0 CA-C-O 120.523 0.202 . . . . 10.0 110.786 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 3.3 m -68.09 121.78 16.86 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 120.784 0.326 . . . . 10.0 110.962 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 3' ' ' GLU . . . . . 0.411 ' HA ' ' HB3' ' C' ' 52' ' ' LEU . 46.1 tt0 -92.25 137.18 32.58 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.827 0.346 . . . . 10.0 111.175 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 4' ' ' TYR . . . . . 0.5 ' CD2' ' HB3' ' C' ' 51' ' ' CYS . 86.7 m-85 -127.28 120.6 29.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.087 179.548 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 5' ' ' LYS . . . . . 0.508 ' HA ' ' HB3' ' C' ' 54' ' ' ASP . 49.9 mttm -88.52 109.09 19.77 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.231 0.539 . . . . 10.0 110.495 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 6' ' ' LEU . . . . . 0.577 ' O ' ' HA ' ' C' ' 55' ' ' ILE . 11.1 mt -109.67 118.65 37.12 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.239 -0.891 . . . . 10.0 110.503 -179.038 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 17.2 t -104.59 131.53 53.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 110.131 -0.322 . . . . 10.0 110.131 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 3.3 t -92.59 108.32 20.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 109.687 -0.486 . . . . 10.0 109.687 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 9' ' ' VAL . . . . . 0.471 HG23 ' HA ' ' C' ' 80' ' ' CYS . 15.8 m -106.98 147.45 12.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.569 -179.457 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 150.34 170.23 17.32 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.613 -0.803 . . . . 10.0 111.318 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.19 175.11 6.33 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.17 0.509 . . . . 10.0 110.586 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.03 153.37 21.06 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.037 -0.529 . . . . 10.0 111.071 179.708 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 13' ' ' GLY . . . . . 0.416 ' HA2' ' HE1' ' C' ' 32' ' ' TYR . . . 79.29 4.77 89.15 Favored Glycine 0 N--CA 1.447 -0.595 0 CA-C-N 115.582 -0.735 . . . . 10.0 113.261 179.544 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 17.0 m -86.56 -25.7 6.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 117.117 0.459 . . . . 10.0 111.317 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 113.59 26.52 3.9 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 120.515 -0.85 . . . . 10.0 114.14 178.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 16' ' ' LYS . . . . . 0.596 ' HE2' ' OD1' ' C' ' 57' ' ' ASP . 1.4 mtmm -62.85 -39.17 93.55 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 121.379 0.609 . . . . 10.0 110.789 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 3.8 m -74.93 -43.94 51.36 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.473 -0.785 . . . . 10.0 110.268 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.43 -44.99 76.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.066 -0.515 . . . . 10.0 111.232 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 94.9 mt -63.29 -52.53 61.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 10.0 111.85 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 3.7 m -63.36 -42.23 98.89 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.191 0.441 . . . . 10.0 112.191 -179.037 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 95.5 mt -64.49 -27.96 43.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.961 0.41 . . . . 10.0 110.765 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 22' ' ' GLN . . . . . 0.596 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 5.4 mm-40 -68.12 -14.74 63.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.135 -0.484 . . . . 10.0 111.618 179.18 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 23.1 tp -107.28 -35.46 6.81 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.89 0.376 . . . . 10.0 110.179 178.811 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 48.4 mm -75.97 -48.32 29.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.26 -0.427 . . . . 10.0 111.517 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -108.46 -17.24 14.03 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.728 0.299 . . . . 10.0 110.527 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 26' ' ' ASN . . . . . 0.596 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 2.1 t-20 65.52 37.5 6.03 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.806 -0.634 . . . . 10.0 111.279 -179.623 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 -137.76 152.72 49.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.705 -0.68 . . . . 10.0 109.853 179.253 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -96.67 120.69 37.46 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.506 -0.316 . . . . 10.0 111.266 -179.242 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 29' ' ' VAL . . . . . 0.413 HG22 ' H ' ' C' ' 29' ' ' VAL . 0.2 OUTLIER -78.96 111.79 16.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.026 -0.533 . . . . 10.0 109.821 179.585 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -91.53 -11.52 37.12 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.115 0.483 . . . . 10.0 110.108 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -106.64 119.64 39.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.456 -0.793 . . . . 10.0 109.658 178.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 32' ' ' TYR . . . . . 0.416 ' HE1' ' HA2' ' C' ' 13' ' ' GLY . 40.4 t80 -65.22 135.39 55.36 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.357 0.503 . . . . 10.0 112.357 -178.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -139.45 106.02 7.11 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 115.954 -0.566 . . . . 10.0 109.627 178.11 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_exo -53.11 124.41 15.55 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 123.179 2.586 . . . . 10.0 112.279 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 3.3 m -98.55 122.11 41.34 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.585 -179.453 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 47.9 mm -93.54 -49.7 12.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 108.996 -0.742 . . . . 10.0 108.996 178.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -168.15 85.05 0.19 Allowed 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.363 -0.835 . . . . 10.0 109.166 179.658 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -114.5 123.12 48.61 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.418 -0.355 . . . . 10.0 110.626 -179.282 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 1.5 m -95.63 147.8 23.21 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.992 -179.119 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 40' ' ' TYR . . . . . 0.68 ' HB2' ' HB ' ' C' ' 55' ' ' ILE . 56.4 m-85 -129.01 136.92 50.96 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.493 -0.558 . . . . 10.0 109.493 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -128.11 139.73 52.34 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 121.28 -0.168 . . . . 10.0 110.555 179.278 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 42.4 tttp -158.2 161.77 37.84 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.413 -0.358 . . . . 10.0 110.272 -179.672 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -129.86 112.42 13.55 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.576 -0.528 . . . . 10.0 109.576 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 24.4 m -135.5 164.44 32.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.783 0.325 . . . . 10.0 111.105 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 62.4 t -98.53 116.82 42.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.304 179.433 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 75.0 mt -119.69 120.16 62.56 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 CA-C-N 115.806 -0.633 . . . . 10.0 110.12 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 47' ' ' ASP . . . . . 0.79 ' HA ' ' HB3' ' B' ' 128' ' ' LYS . 41.2 m-20 63.05 16.83 9.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.492 -0.776 . . . . 10.0 111.612 -179.444 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.07 -7.48 52.42 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.898 -0.667 . . . . 10.0 112.551 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -105.46 135.25 47.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.563 0.221 . . . . 10.0 110.666 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 1.7 m -80.61 105.79 12.12 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.997 -1.112 . . . . 10.0 107.997 178.093 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 51' ' ' CYS . . . . . 0.5 ' HB3' ' CD2' ' C' ' 4' ' ' TYR . 3.1 m -103.76 138.02 40.97 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 112.554 0.576 . . . . 10.0 112.554 -177.44 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 52' ' ' LEU . . . . . 0.411 ' HB3' ' HA ' ' C' ' 3' ' ' GLU . 47.9 tp -91.03 115.9 28.38 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.447 -1.316 . . . . 10.0 107.447 177.451 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 34.0 mt -88.37 120.59 29.89 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 112.724 0.639 . . . . 10.0 112.724 -177.489 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 54' ' ' ASP . . . . . 0.508 ' HB3' ' HA ' ' C' ' 5' ' ' LYS . 38.9 t70 -111.16 81.98 1.53 Allowed 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 107.171 -1.418 . . . . 10.0 107.171 177.136 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 55' ' ' ILE . . . . . 0.68 ' HB ' ' HB2' ' C' ' 40' ' ' TYR . 1.1 mp -92.78 154.24 3.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.695 -0.684 . . . . 10.0 111.612 -178.16 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 21.3 tp -151.92 120.07 6.3 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.801 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 57' ' ' ASP . . . . . 0.596 ' OD1' ' HE2' ' C' ' 16' ' ' LYS . 18.6 t0 -96.01 118.64 33.01 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 108.746 -0.835 . . . . 10.0 108.746 178.835 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 15.7 p -103.24 171.86 7.14 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.175 0.512 . . . . 10.0 112.089 -178.773 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.86 145.91 49.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.813 -0.63 . . . . 10.0 111.149 -179.591 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -123.03 29.17 5.42 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.844 -0.694 . . . . 10.0 111.382 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -103.24 19.85 18.84 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.698 0.285 . . . . 10.0 110.685 -179.422 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 62' ' ' GLU . . . . . 0.471 ' HG3' ' H ' ' C' ' 63' ' ' GLU . 4.7 tp10 61.36 -154.18 0.36 Allowed 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.042 -179.019 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 63' ' ' GLU . . . . . 0.471 ' H ' ' HG3' ' C' ' 62' ' ' GLU . 2.7 tm-20 71.45 -50.03 0.69 Allowed 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 113.154 0.798 . . . . 10.0 113.154 179.555 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 64' ' ' TYR . . . . . 0.637 ' HB3' ' HB3' ' C' ' 67' ' ' MET . 58.3 m-85 -78.23 58.33 2.04 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.406 -0.361 . . . . 10.0 111.941 -179.403 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 1.1 m -68.28 -42.73 79.09 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.492 -0.322 . . . . 10.0 110.883 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.31 -33.28 49.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.947 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 67' ' ' MET . . . . . 0.637 ' HB3' ' HB3' ' C' ' 64' ' ' TYR . 4.3 ttp -68.9 -36.9 78.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.297 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 68' ' ' ARG . . . . . 0.522 ' HA ' ' CD2' ' C' ' 71' ' ' TYR . 12.8 ttp180 -65.1 -31.45 72.67 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.813 -0.63 . . . . 10.0 110.777 179.36 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -58.95 -38.23 78.57 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.569 -0.741 . . . . 10.0 111.06 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -59.17 -48.16 82.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.958 -0.565 . . . . 10.0 111.763 -179.634 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 71' ' ' TYR . . . . . 0.522 ' CD2' ' HA ' ' C' ' 68' ' ' ARG . 4.6 m-85 -66.71 -29.59 69.62 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.55 -0.295 . . . . 10.0 111.577 -178.483 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 72' ' ' MET . . . . . 0.549 ' HA ' ' CZ ' ' C' ' 78' ' ' PHE . 0.5 OUTLIER -64.41 -35.41 80.82 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.847 0.684 . . . . 10.0 112.847 -178.754 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 73' ' ' ARG . . . . . 0.662 ' HG3' HG12 ' C' ' 103' ' ' VAL . 30.0 mtm180 -78.79 -33.69 46.08 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.553 0.575 . . . . 10.0 112.553 -179.664 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 3.0 m -80.83 -41.97 22.39 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.304 0.483 . . . . 10.0 112.304 -179.051 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -69.2 148.57 47.72 Favored Glycine 0 CA--C 1.52 0.357 0 C-N-CA 121.075 -0.583 . . . . 10.0 113.638 -178.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -98.88 -56.3 2.47 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.783 -0.451 . . . . 10.0 109.783 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -107.28 139.25 14.89 Favored Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 111.328 -0.709 . . . . 10.0 111.328 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 78' ' ' PHE . . . . . 0.643 ' HB2' ' HG2' ' C' ' 111' ' ' MET . 96.2 m-85 -116.41 119.45 35.7 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.118 0.485 . . . . 10.0 111.828 -179.107 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 79' ' ' LEU . . . . . 0.612 ' HB2' HD22 ' C' ' 159' ' ' LEU . 14.0 tp -94.3 102.8 14.81 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.676 -0.693 . . . . 10.0 110.047 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 80' ' ' CYS . . . . . 0.471 ' HA ' HG23 ' C' ' 9' ' ' VAL . 0.1 OUTLIER -82.58 102.57 11.5 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.244 -179.782 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 61.2 t -105.68 131.17 55.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.041 -0.527 . . . . 10.0 111.203 -179.193 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 82' ' ' PHE . . . . . 0.403 ' HB2' ' HB2' ' C' ' 89' ' ' SER . 37.7 p90 -139.53 155.68 47.37 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.118 179.05 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 83' ' ' ALA . . . . . 0.449 ' HB1' ' OD1' ' C' ' 85' ' ' ASN . . . -89.61 127.95 35.98 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.353 -0.61 . . . . 10.0 109.353 179.491 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 84' ' ' ILE . . . . . 0.597 HD11 ' HA ' ' C' ' 118' ' ' CYS . 31.3 pt -67.43 -12.07 14.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 112.149 0.426 . . . . 10.0 112.149 -179.403 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 85' ' ' ASN . . . . . 0.449 ' OD1' ' HB1' ' C' ' 83' ' ' ALA . 5.2 p-10 -92.98 -3.85 53.71 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.839 -0.619 . . . . 10.0 110.674 179.426 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -128.44 106.13 8.78 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.116 0.484 . . . . 10.0 111.273 -179.586 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.98 -26.85 68.47 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.787 -0.642 . . . . 10.0 110.766 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 24.4 tptp -59.92 -46.72 88.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.641 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 89' ' ' SER . . . . . 0.474 ' HA ' ' HB2' ' C' ' 92' ' ' ASP . 0.2 OUTLIER -67.43 -25.36 65.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.469 -0.332 . . . . 10.0 111.689 179.774 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -66.19 -44.13 84.83 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.727 -0.471 . . . . 10.0 109.727 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -73.11 -31.08 64.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.815 -0.63 . . . . 10.0 110.374 178.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 92' ' ' ASP . . . . . 0.474 ' HB2' ' HA ' ' C' ' 89' ' ' SER . 0.3 OUTLIER -56.39 -38.88 72.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.459 -0.792 . . . . 10.0 110.232 179.539 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 93' ' ' ILE . . . . . 0.43 HG12 ' O ' ' C' ' 89' ' ' SER . 42.0 mm -57.13 -39.98 70.31 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 CA-C-N 115.719 -0.673 . . . . 10.0 111.44 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -60.31 -45.3 93.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.081 -0.509 . . . . 10.0 111.014 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 38.9 m-70 -64.0 -38.34 90.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.69 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -64.65 -43.95 92.0 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.286 179.472 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 29.1 ttt-85 -58.0 -43.05 86.43 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.325 -0.398 . . . . 10.0 111.154 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -63.85 -41.62 97.77 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.936 -0.575 . . . . 10.0 111.807 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 99' ' ' GLN . . . . . 0.475 ' O ' HG23 ' C' ' 103' ' ' VAL . 63.8 tt0 -67.97 -45.09 75.16 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 121.078 -0.249 . . . . 10.0 111.138 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 94.6 mt -54.75 -47.73 73.66 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 CA-C-O 120.671 0.272 . . . . 10.0 111.154 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 17.9 mtmt -64.69 -30.48 71.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.992 0.425 . . . . 10.0 111.671 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 4.3 ttm180 -74.15 -44.46 53.49 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.701 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 103' ' ' VAL . . . . . 0.662 HG12 ' HG3' ' C' ' 73' ' ' ARG . 61.5 t -68.73 -44.45 82.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.926 -0.579 . . . . 10.0 111.901 -178.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -85.58 -10.9 55.22 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.828 0.307 . . . . 10.0 111.828 -179.17 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 14.8 t70 54.1 53.28 11.32 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.5 0.666 . . . . 10.0 111.487 -179.476 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 64.4 m -155.84 129.49 8.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.393 -0.821 . . . . 10.0 109.731 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 32.3 tp10 -76.33 -25.44 54.73 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.148 0.499 . . . . 10.0 110.294 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -103.48 97.67 7.69 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.161 -0.472 . . . . 10.0 111.184 -179.709 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 58.2 t -123.39 125.82 26.02 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 115.767 -0.651 . . . . 10.0 109.824 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_endo -57.78 105.99 0.23 Allowed 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.944 2.429 . . . . 10.0 112.147 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 111' ' ' MET . . . . . 0.643 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 50.6 mtm -138.66 156.15 47.67 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.414 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 112' ' ' VAL . . . . . 0.402 ' HB ' HD12 ' C' ' 79' ' ' LEU . 92.1 t -133.74 128.73 54.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.866 -0.606 . . . . 10.0 109.373 179.587 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 113' ' ' LEU . . . . . 0.407 ' O ' ' HA ' ' C' ' 141' ' ' PHE . 15.0 tp -84.79 118.1 24.25 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.477 -0.564 . . . . 10.0 109.477 179.537 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 82.9 t -121.82 126.6 74.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.232 0.539 . . . . 10.0 111.818 -178.459 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -103.41 129.08 9.74 Favored Glycine 0 N--CA 1.441 -0.994 0 N-CA-C 109.586 -1.405 . . . . 10.0 109.586 178.175 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -110.39 165.03 12.11 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 117.084 0.442 . . . . 10.0 111.638 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 95.9 mttt 69.35 34.91 2.76 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.322 -0.854 . . . . 10.0 112.281 179.615 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 118' ' ' CYS . . . . . 0.597 ' HA ' HD11 ' C' ' 84' ' ' ILE . 64.6 m -71.57 -11.31 60.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 10.0 111.541 179.563 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -76.46 -34.17 58.71 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.119 0.485 . . . . 10.0 109.806 179.065 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 120' ' ' LEU . . . . . 0.47 ' HA ' ' HD3' ' C' ' 121' ' ' PRO . 91.7 mt -67.88 134.72 92.05 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 115.678 -0.692 . . . . 10.0 111.487 -179.333 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 121' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' C' ' 120' ' ' LEU . 8.6 Cg_exo -73.49 172.4 15.78 Favored 'Trans proline' 0 C--O 1.237 0.473 0 C-N-CA 123.423 2.748 . . . . 10.0 111.889 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 5.7 m 59.25 57.06 3.57 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.724 -0.671 . . . . 10.0 111.497 -179.439 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 123' ' ' ARG . . . . . 0.448 HH11 ' HD3' ' C' ' 123' ' ' ARG . 0.0 OUTLIER -68.27 124.76 24.37 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.917 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -78.25 -38.69 42.25 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.142 0.496 . . . . 10.0 110.117 179.461 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 48.0 t -101.29 122.21 53.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.421 179.298 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -86.26 162.1 18.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.838 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 1.5 m -62.93 -42.21 99.73 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.047 -0.524 . . . . 10.0 111.716 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 128' ' ' LYS . . . . . 0.46 ' HB2' ' HA ' ' B' ' 47' ' ' ASP . 11.7 pttp -54.11 -57.87 9.46 Favored 'General case' 0 C--N 1.334 -0.099 0 N-CA-C 113.149 0.796 . . . . 10.0 113.149 -178.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -59.24 -36.68 75.9 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.729 0.64 . . . . 10.0 112.729 -178.474 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -75.66 -38.5 58.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.063 0.459 . . . . 10.0 111.175 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -71.44 -45.82 61.65 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.117 -0.492 . . . . 10.0 112.015 -179.555 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 132' ' ' ASP . . . . . 0.554 ' HA ' ' HD2' ' B' ' 161' ' ' ARG . 31.9 t0 -62.94 -33.88 76.29 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.99 0.424 . . . . 10.0 110.444 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 27.1 tp -64.36 -47.48 79.14 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.891 -0.781 . . . . 10.0 108.891 178.622 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 134' ' ' ALA . . . . . 0.442 ' HB1' HG13 ' C' ' 139' ' ' ILE . . . -64.79 -37.79 88.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.34 -0.845 . . . . 10.0 110.415 178.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 135' ' ' ARG . . . . . 0.487 ' HG3' ' HG2' ' B' ' 161' ' ' ARG . 5.9 tmm_? -62.67 -47.13 85.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.689 -0.687 . . . . 10.0 110.229 179.201 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 21.9 m -61.46 -35.47 77.7 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.77 -0.65 . . . . 10.0 112.003 -179.425 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 20.5 m-30 -84.8 -32.52 23.3 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 111.994 0.368 . . . . 10.0 111.994 -178.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 104.2 37.83 2.8 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.703 -0.761 . . . . 10.0 113.297 179.251 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 139' ' ' ILE . . . . . 0.442 HG13 ' HB1' ' C' ' 134' ' ' ALA . 11.9 pt -133.67 157.36 78.12 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 122.565 -0.373 . . . . 10.0 110.5 179.399 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -84.0 152.09 12.67 Favored 'Trans proline' 0 N--CA 1.462 -0.376 0 C-N-CA 122.424 2.083 . . . . 10.0 112.13 179.584 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 141' ' ' PHE . . . . . 0.407 ' HA ' ' O ' ' C' ' 113' ' ' LEU . 73.7 t80 -124.39 133.79 53.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.143 -0.481 . . . . 10.0 110.099 179.384 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 142' ' ' ILE . . . . . 0.478 HD12 ' HA ' ' C' ' 155' ' ' ALA . 60.1 mt -131.08 126.92 60.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.762 0.315 . . . . 10.0 111.248 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -86.78 123.36 31.84 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.517 -0.92 . . . . 10.0 108.517 178.09 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 144' ' ' THR . . . . . 0.413 HG23 HG22 ' C' ' 142' ' ' ILE . 26.7 p -138.15 177.57 7.78 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.885 0.85 . . . . 10.0 112.288 -178.613 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.21 122.66 3.32 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.729 -1.123 . . . . 10.0 108.033 178.442 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -64.58 -26.12 68.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.916 0.388 . . . . 10.0 111.096 -179.148 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 5.0 mtpt -61.16 -50.22 74.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.795 -0.639 . . . . 10.0 111.042 179.329 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -86.65 -22.84 25.91 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.204 -179.566 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 65.07 14.21 9.21 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.517 0.675 . . . . 10.0 111.979 -179.307 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -82.92 124.03 29.97 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.374 -0.83 . . . . 10.0 110.861 -179.521 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 85.01 -13.27 55.14 Favored Glycine 0 C--N 1.33 0.211 0 CA-C-N 116.116 -0.493 . . . . 10.0 113.427 178.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 46.7 t -60.56 -33.91 56.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.042 0.449 . . . . 10.0 110.806 -179.505 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -66.48 -53.11 38.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.981 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -65.44 -25.83 67.69 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 112.552 0.575 . . . . 10.0 112.552 -178.614 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 155' ' ' ALA . . . . . 0.478 ' HA ' HD12 ' C' ' 142' ' ' ILE . . . -60.86 -44.72 96.63 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.23 0.538 . . . . 10.0 109.566 178.726 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -75.69 -32.71 60.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.552 179.415 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 21.7 m-30 -68.4 -43.31 77.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.321 -0.4 . . . . 10.0 110.802 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 92.8 m -65.29 -30.79 71.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 10.0 111.382 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 159' ' ' LEU . . . . . 0.612 HD22 ' HB2' ' C' ' 79' ' ' LEU . 34.5 tp -62.91 -40.28 97.1 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.485 -0.561 . . . . 10.0 109.485 178.659 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 39.6 t -69.33 -36.51 72.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.639 -0.709 . . . . 10.0 109.137 178.52 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 -60.65 -42.28 96.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.156 -0.929 . . . . 10.0 111.041 179.258 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -64.05 -38.76 92.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.539 -0.3 . . . . 10.0 110.594 179.623 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 73.6 mt -63.27 -49.02 84.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 CA-C-N 116.253 -0.43 . . . . 10.0 109.904 179.53 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 164' ' ' ARG . . . . . 0.687 HH12 ' HB2' ' C' ' 47' ' ' ASP . 18.8 ttm180 -63.69 -31.76 73.04 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.302 179.681 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 25.6 ttmt -66.06 -52.17 51.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.958 -0.565 . . . . 10.0 109.916 178.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 -58.82 -52.11 67.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.744 -0.662 . . . . 10.0 111.434 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 97.2 mttt . . . . . 0 C--N 1.325 -0.471 0 N-CA-C 112.3 0.481 . . . . 10.0 112.3 -179.395 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.936 0.398 . . . . 10.0 111.254 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 78.9 mt -64.74 -44.84 88.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.189 -0.46 . . . . 10.0 111.163 -179.43 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 29.9 mt -65.74 -36.42 83.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.984 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -66.01 -51.19 60.53 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.867 -0.606 . . . . 10.0 111.08 -179.529 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 206' ' ' ASN . . . . . 0.411 ' O ' HG23 ' A' ' 210' ' ' VAL . 7.6 m120 -67.32 -34.32 77.1 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.438 -0.346 . . . . 10.0 111.353 179.762 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 54.0 t90 -60.77 -31.43 70.79 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.808 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -64.82 -41.12 96.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.26 -0.427 . . . . 10.0 109.857 179.299 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 1.3 m -67.18 -34.62 77.91 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.324 0.583 . . . . 10.0 109.996 179.018 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 210' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 206' ' ' ASN . 84.0 t -68.42 -45.18 82.63 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 N-CA-C 109.172 -0.677 . . . . 10.0 109.172 178.788 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 41.2 m -64.18 -42.23 96.79 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.684 -0.689 . . . . 10.0 111.758 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 2.0 p -62.47 -36.4 82.37 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.928 -0.397 . . . . 10.0 109.928 178.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 213' ' ' THR . . . . . 0.433 ' O ' ' HG ' ' A' ' 217' ' ' LEU . 47.1 m -65.88 -39.5 90.73 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.873 -0.788 . . . . 10.0 108.873 178.098 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 214' ' ' PHE . . . . . 0.512 ' HA ' HD12 ' A' ' 217' ' ' LEU . 6.1 m-85 -63.62 -38.56 91.6 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.539 178.735 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 215' ' ' SER . . . . . 0.424 ' O ' ' HG3' ' A' ' 219' ' ' GLU . 15.2 m -65.2 -45.54 84.36 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 109.426 -0.583 . . . . 10.0 109.426 178.383 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 39.0 mmtt -61.77 -33.87 74.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.733 -0.667 . . . . 10.0 110.094 179.162 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 217' ' ' LEU . . . . . 0.512 HD12 ' HA ' ' A' ' 214' ' ' PHE . 66.5 mt -63.39 -43.42 97.62 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.713 -0.676 . . . . 10.0 110.038 179.089 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -66.41 -40.39 89.57 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.445 -0.343 . . . . 10.0 111.102 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 219' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' A' ' 215' ' ' SER . 81.3 mt-10 -65.16 -18.09 65.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.767 -0.651 . . . . 10.0 110.823 179.566 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -98.4 -40.58 8.22 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.122 -0.695 . . . . 10.0 109.122 178.218 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 33.9 mt -55.87 -37.27 68.57 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.727 -0.67 . . . . 10.0 111.528 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -54.04 -68.89 1.42 Allowed Glycine 0 C--N 1.335 0.477 0 N-CA-C 110.461 -1.056 . . . . 10.0 110.461 178.586 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -53.09 -39.2 80.7 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.79 2.327 . . . . 10.0 110.804 177.724 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 24.4 t -57.59 -51.68 66.95 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.247 0 CA-C-N 116.398 -0.364 . . . . 10.0 111.268 179.464 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 3.2 p -61.77 -29.91 70.45 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.562 -0.455 . . . . 10.0 111.498 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -70.42 -50.09 42.07 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.495 -0.557 . . . . 10.0 109.495 179.189 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -66.26 -38.33 87.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.121 179.528 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 228' ' ' PHE . . . . . 0.4 ' O ' ' HG ' ' A' ' 232' ' ' LEU . 9.6 t80 -65.33 -45.72 83.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.332 179.436 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -66.28 -33.04 74.83 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 116.301 -0.409 . . . . 10.0 110.436 179.39 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -62.33 -45.52 92.83 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.424 -0.584 . . . . 10.0 109.424 178.533 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -67.12 -43.31 82.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.708 -0.678 . . . . 10.0 109.666 178.398 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 232' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 228' ' ' PHE . 82.5 mt -59.91 -46.12 90.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.715 -0.675 . . . . 10.0 110.693 179.343 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -60.19 -36.02 76.69 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 115.852 -0.613 . . . . 10.0 111.113 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -72.59 -38.34 67.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.101 0.477 . . . . 10.0 109.834 178.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -68.75 -47.85 65.22 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.164 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 13.3 p -65.68 -33.45 75.92 Favored 'General case' 0 CA--C 1.521 -0.144 0 N-CA-C 109.641 -0.503 . . . . 10.0 109.641 179.464 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 237' ' ' GLU . . . . . 0.551 ' HA ' ' HD2' ' A' ' 240' ' ' ARG . 27.2 tt0 -59.22 -42.85 91.95 Favored 'General case' 0 CA--C 1.52 -0.19 0 N-CA-C 108.727 -0.842 . . . . 10.0 108.727 178.116 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 238' ' ' GLY . . . . . 0.444 ' O ' ' HG3' ' A' ' 242' ' ' GLU . . . -61.95 -44.83 97.27 Favored Glycine 0 N--CA 1.442 -0.965 0 N-CA-C 110.12 -1.192 . . . . 10.0 110.12 178.234 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 96.4 mt -61.38 -37.15 82.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.0 0.428 . . . . 10.0 110.711 179.019 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 240' ' ' ARG . . . . . 0.551 ' HD2' ' HA ' ' A' ' 237' ' ' GLU . 73.8 mtt180 -64.89 -41.86 95.27 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.962 -0.563 . . . . 10.0 109.714 178.667 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -72.7 -43.67 62.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.681 -0.69 . . . . 10.0 109.909 179.215 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 242' ' ' GLU . . . . . 0.444 ' HG3' ' O ' ' A' ' 238' ' ' GLY . 26.9 mt-10 -67.78 -17.02 64.39 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 116.046 -0.524 . . . . 10.0 110.79 179.185 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 243' ' ' MET . . . . . 0.676 ' HG3' HD12 ' A' ' 247' ' ' LEU . 36.9 ttm -64.76 -29.77 70.75 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.783 -0.821 . . . . 10.0 108.783 178.518 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 11.1 m -80.74 7.62 9.91 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.422 -0.808 . . . . 10.0 110.028 178.756 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 245' ' ' LYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 249' ' ' GLU . 90.4 mttt -125.1 -60.18 1.36 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.628 -0.715 . . . . 10.0 109.435 179.043 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 246' ' ' ASP . . . . . 0.533 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 0.2 OUTLIER -58.82 -64.06 1.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.768 -0.651 . . . . 10.0 110.741 179.808 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 247' ' ' LEU . . . . . 0.676 HD12 ' HG3' ' A' ' 243' ' ' MET . 34.0 mt -69.96 -27.77 65.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.08 -0.509 . . . . 10.0 112.198 -178.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -73.03 -54.32 8.87 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 120.645 -0.422 . . . . 10.0 111.067 179.476 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 249' ' ' GLU . . . . . 0.406 ' HB2' ' O ' ' A' ' 245' ' ' LYS . 4.2 mt-10 -65.9 -34.73 78.79 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.8 -0.182 . . . . 10.0 110.986 179.672 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 250' ' ' VAL . . . . . 0.628 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 0.9 OUTLIER -64.59 -28.49 44.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 C-N-CA 120.905 -0.318 . . . . 10.0 111.531 179.894 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 251' ' ' LYS . . . . . 0.527 ' HA ' ' HB ' ' A' ' 254' ' ' VAL . 87.2 mttt -97.18 -29.67 13.45 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.873 0.368 . . . . 10.0 111.319 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -71.26 -37.68 71.91 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.792 -0.818 . . . . 10.0 108.792 178.26 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -88.48 -14.11 38.66 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.322 -0.854 . . . . 10.0 110.16 178.748 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 254' ' ' VAL . . . . . 0.628 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.3 OUTLIER -62.79 -31.65 53.04 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.148 0 C-N-CA 121.003 -0.279 . . . . 10.0 110.722 179.685 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 255' ' ' GLN . . . . . 0.465 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 55.8 mt-30 -60.9 -61.81 7.24 Favored Pre-proline 0 N--CA 1.45 -0.427 0 CA-C-N 116.255 -0.43 . . . . 10.0 111.112 179.642 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 256' ' ' PRO . . . . . 0.465 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 37.6 Cg_endo -67.34 -33.17 30.93 Favored 'Trans proline' 0 C--N 1.354 0.844 0 C-N-CA 121.439 1.426 . . . . 10.0 112.156 179.132 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 5.4 m-30 -64.01 -55.36 22.91 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 120.798 0.332 . . . . 10.0 110.86 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 258' ' ' LEU . . . . . 0.436 ' HG ' HG22 ' A' ' 254' ' ' VAL . 43.7 mt -66.2 -40.21 90.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.308 -0.406 . . . . 10.0 110.705 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -59.23 -40.73 86.82 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.476 179.549 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -63.91 -55.32 23.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.483 179.478 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -58.23 -43.93 87.99 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.838 -0.619 . . . . 10.0 110.799 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -64.42 -41.72 96.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.085 -0.507 . . . . 10.0 111.271 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 263' ' ' LYS . . . . . 0.461 ' HB2' ' HE3' ' A' ' 263' ' ' LYS . 10.7 ttmt -59.82 -47.42 85.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.17 0.51 . . . . 10.0 110.259 179.717 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 264' ' ' LYS . . . . . 0.451 ' O ' ' HG3' ' A' ' 268' ' ' GLU . 77.0 mttt -70.15 -38.46 75.48 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.614 -0.721 . . . . 10.0 110.684 179.681 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 2.1 m95 -60.2 -42.06 94.28 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.363 178.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -59.41 -46.36 88.92 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.012 -0.54 . . . . 10.0 109.833 178.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 267' ' ' GLU . . . . . 0.418 ' O ' ' HG ' ' A' ' 271' ' ' LEU . 17.9 mt-10 -63.01 -43.3 99.16 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.056 179.047 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 268' ' ' GLU . . . . . 0.535 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 28.3 mt-10 -60.27 -44.51 95.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.774 -0.648 . . . . 10.0 110.408 178.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 95.5 mmm -67.12 -37.96 84.77 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.189 -0.459 . . . . 10.0 110.023 179.248 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -63.12 -49.85 72.79 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 116.036 -0.529 . . . . 10.0 109.641 179.09 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 271' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 267' ' ' GLU . 93.1 mt -61.72 -39.62 92.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.351 179.563 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 272' ' ' TYR . . . . . 0.546 ' O ' ' HB ' ' A' ' 276' ' ' VAL . 0.6 OUTLIER -62.02 -44.89 95.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.423 179.041 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 273' ' ' ARG . . . . . 0.458 ' O ' HG12 ' A' ' 276' ' ' VAL . 32.4 ttm180 -74.35 -33.34 63.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.204 -0.453 . . . . 10.0 111.24 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -65.61 -44.41 86.61 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.765 -0.457 . . . . 10.0 109.765 179.095 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 275' ' ' LYS . . . . . 0.7 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 8.2 mptt -78.3 -27.13 47.25 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.857 -0.61 . . . . 10.0 111.446 179.284 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 276' ' ' VAL . . . . . 0.546 ' HB ' ' O ' ' A' ' 272' ' ' TYR . 0.3 OUTLIER -59.89 -26.95 37.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 N-CA-C 111.836 0.31 . . . . 10.0 111.836 -179.8 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -64.84 -63.84 3.26 Favored Pre-proline 0 CA--C 1.533 0.298 0 C-N-CA 120.941 -0.304 . . . . 10.0 111.162 178.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -61.11 -35.97 83.76 Favored 'Trans proline' 0 C--N 1.356 0.936 0 C-N-CA 121.642 1.561 . . . . 10.0 111.257 178.587 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 279' ' ' LEU . . . . . 1.024 HD22 ' HE3' ' D' ' 495' ' ' LYS . 10.9 mt -61.92 -43.62 98.47 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.638 0.256 . . . . 10.0 110.55 179.509 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -66.24 -36.94 84.34 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.669 -0.493 . . . . 10.0 109.669 178.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -64.29 -43.35 95.02 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.866 -0.606 . . . . 10.0 109.705 178.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.66 -43.83 88.17 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.109 0.48 . . . . 10.0 109.946 178.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 17.1 mt -63.54 -39.49 94.55 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.464 179.237 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -70.02 -48.37 58.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.656 179.43 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -60.47 -41.94 95.21 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.179 0.514 . . . . 10.0 109.936 179.287 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -68.62 -49.1 45.95 Favored Glycine 0 N--CA 1.44 -1.049 0 CA-C-N 115.263 -0.88 . . . . 10.0 110.999 178.806 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -55.08 -48.45 73.52 Favored 'General case' 0 C--O 1.223 -0.292 0 O-C-N 123.515 0.186 . . . . 10.0 110.986 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 12.2 mtt85 -55.89 -50.67 70.02 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 123.381 0.426 . . . . 10.0 111.463 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -66.34 -43.46 86.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.769 0.319 . . . . 10.0 111.084 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 290' ' ' LYS . . . . . 0.437 ' O ' ' HG ' ' A' ' 294' ' ' LEU . 74.4 mttt -61.94 -42.88 99.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.296 -0.411 . . . . 10.0 110.358 179.492 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 291' ' ' LEU . . . . . 0.442 HD23 HD12 ' A' ' 294' ' ' LEU . 82.0 mt -66.75 -35.05 79.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 10.0 109.966 178.474 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 6.9 m170 -62.88 -47.09 84.83 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 108.696 -0.853 . . . . 10.0 108.696 178.246 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -60.55 -39.81 89.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.05 -0.977 . . . . 10.0 109.115 178.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 294' ' ' LEU . . . . . 0.442 HD12 HD23 ' A' ' 291' ' ' LEU . 64.6 mt -64.7 -44.98 88.52 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 115.696 -0.684 . . . . 10.0 110.782 179.026 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 295' ' ' GLN . . . . . 0.431 ' HA ' ' HB2' ' A' ' 298' ' ' LEU . 79.1 mt-30 -61.71 -40.42 94.99 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 120.834 0.35 . . . . 10.0 111.032 179.631 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -62.97 -13.59 36.86 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.064 -0.516 . . . . 10.0 111.03 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 297' ' ' LYS . . . . . 0.427 ' HA ' ' HD3' ' A' ' 297' ' ' LYS . 12.3 mmtp -119.18 11.24 12.29 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.114 178.49 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 298' ' ' LEU . . . . . 0.431 ' HB2' ' HA ' ' A' ' 295' ' ' GLN . 12.5 mt -116.6 -37.1 3.76 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.005 -0.543 . . . . 10.0 111.113 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 299' ' ' SER . . . . . 0.484 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 0.8 OUTLIER -73.82 -62.86 1.02 Allowed Pre-proline 0 CA--C 1.539 0.529 0 N-CA-C 111.816 0.302 . . . . 10.0 111.816 179.516 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 300' ' ' PRO . . . . . 0.484 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 34.4 Cg_endo -65.8 -45.08 6.88 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 121.788 1.659 . . . . 10.0 111.575 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 301' ' ' LEU . . . . . 0.586 ' HB3' ' HE2' ' D' ' 473' ' ' LYS . 34.5 mt -68.72 -26.28 65.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.047 179.139 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -70.22 -46.34 50.72 Favored Glycine 0 N--CA 1.446 -0.662 0 N-CA-C 110.157 -1.177 . . . . 10.0 110.157 178.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -66.57 -35.46 80.26 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 109.811 -0.44 . . . . 10.0 109.811 178.417 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -60.77 -47.44 86.3 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 108.314 -0.995 . . . . 10.0 108.314 177.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 6.3 tpt -62.45 -38.08 88.39 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 115.394 -0.821 . . . . 10.0 109.864 179.136 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -64.08 -44.19 93.12 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.99 -0.55 . . . . 10.0 111.539 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 307' ' ' ASP . . . . . 0.758 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 12.8 t70 -70.94 -36.71 72.72 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.187 0.517 . . . . 10.0 110.216 179.194 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 308' ' ' ARG . . . . . 0.545 ' HG3' HD11 ' D' ' 469' ' ' LEU . 19.5 mmt180 -67.03 -31.88 72.71 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 108.999 -0.741 . . . . 10.0 108.999 177.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 309' ' ' ALA . . . . . 0.441 ' HA ' ' HB2' ' A' ' 312' ' ' HIS . . . -68.48 -36.77 79.41 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 108.801 -0.814 . . . . 10.0 108.801 177.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 310' ' ' ARG . . . . . 0.758 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 92.2 mtt180 -57.72 -48.16 80.37 Favored 'General case' 0 C--O 1.222 -0.348 0 N-CA-C 108.704 -0.85 . . . . 10.0 108.704 178.044 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -69.35 -42.99 74.53 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.783 -0.644 . . . . 10.0 110.257 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 312' ' ' HIS . . . . . 0.441 ' HB2' ' HA ' ' A' ' 309' ' ' ALA . 0.1 OUTLIER -53.1 -52.98 56.87 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.38 179.184 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 74.7 t -73.06 -44.72 56.07 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.151 0 CA-C-N 115.683 -0.69 . . . . 10.0 111.988 -179.244 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -59.83 -46.46 89.17 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 121.12 -0.232 . . . . 10.0 111.247 -179.409 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -60.81 -37.3 81.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.098 0.475 . . . . 10.0 110.187 179.399 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 14.4 mt -69.43 -46.33 67.05 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.667 -0.697 . . . . 10.0 109.447 178.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 37.7 ttm105 -60.37 -40.71 91.8 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.445 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 56.1 m -59.68 -28.37 67.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.888 178.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 33.5 m80 -92.66 -40.28 10.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.507 179.298 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 95.1 mt -64.02 -31.91 73.27 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.075 -0.511 . . . . 10.0 111.758 -179.465 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -56.7 -60.26 9.88 Favored Pre-proline 0 CA--C 1.536 0.406 0 CA-C-N 116.669 -0.242 . . . . 10.0 111.415 179.458 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -67.48 -32.65 31.31 Favored 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 121.513 1.475 . . . . 10.0 110.839 177.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 323' ' ' TYR . . . . . 0.505 ' O ' ' HG ' ' A' ' 327' ' ' LEU . 11.7 m-30 -59.93 -47.76 84.49 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.706 -0.224 . . . . 10.0 111.085 179.36 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 11.0 p -65.59 -34.45 78.27 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.928 0.394 . . . . 10.0 110.721 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -68.92 -42.61 76.59 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 109.235 -0.654 . . . . 10.0 109.235 178.608 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -69.53 -28.91 66.42 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.289 -0.634 . . . . 10.0 109.289 178.458 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 327' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 323' ' ' TYR . 30.4 mt -66.45 -35.85 81.32 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.226 -0.657 . . . . 10.0 109.226 178.095 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -62.82 -37.9 88.58 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 108.752 -0.833 . . . . 10.0 108.752 178.287 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -67.77 -46.75 71.15 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.627 -0.715 . . . . 10.0 109.312 178.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 330' ' ' ARG . . . . . 0.498 ' NH2' ' HB3' ' D' ' 447' ' ' GLU . 46.4 mtt-85 -58.92 -49.6 77.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.317 -0.856 . . . . 10.0 110.281 179.268 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 90.8 mt -62.04 -38.49 88.94 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.646 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -64.05 -50.69 67.41 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.28 -0.418 . . . . 10.0 110.341 179.264 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -59.71 -40.01 86.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.682 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 52.8 mtt-85 -69.14 -46.14 68.35 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.378 179.219 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 335' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 335' ' ' LEU . 27.1 mt -63.84 -36.03 82.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.544 -0.298 . . . . 10.0 111.165 179.618 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -65.1 -40.72 94.98 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.159 0.504 . . . . 10.0 109.689 178.706 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 337' ' ' ALA . . . . . 0.401 ' O ' ' HB3' ' A' ' 341' ' ' ASN . . . -65.54 -45.74 82.26 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 108.795 -0.817 . . . . 10.0 108.795 178.466 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 338' ' ' LEU . . . . . 0.414 ' O ' ' HA3' ' A' ' 342' ' ' GLY . 97.1 mt -69.42 -10.67 58.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.726 -0.67 . . . . 10.0 111.146 179.38 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 69.8 tttt -92.27 -53.06 4.39 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -66.5 -53.78 31.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.962 -0.563 . . . . 10.0 109.833 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 341' ' ' ASN . . . . . 0.401 ' HB3' ' O ' ' A' ' 337' ' ' ALA . 8.0 t30 -67.76 -38.39 83.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.771 -0.649 . . . . 10.0 109.682 178.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 342' ' ' GLY . . . . . 0.414 ' HA3' ' O ' ' A' ' 338' ' ' LEU . . . -60.75 -43.53 99.03 Favored Glycine 0 C--N 1.332 0.357 0 CA-C-N 115.778 -0.646 . . . . 10.0 112.01 179.407 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -66.05 -38.4 94.01 Favored Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 111.152 -0.779 . . . . 10.0 111.152 179.224 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -65.36 -40.59 93.75 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.564 -0.532 . . . . 10.0 109.564 178.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 29.2 mtm180 -63.74 -45.49 89.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.648 -0.705 . . . . 10.0 110.336 179.182 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 52.1 mt -60.88 -44.45 97.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.242 -0.436 . . . . 10.0 110.407 179.367 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.91 -43.4 91.07 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.166 0.508 . . . . 10.0 109.975 178.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -67.15 -46.77 73.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.691 179.094 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -61.02 -39.97 91.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.993 -0.549 . . . . 10.0 111.253 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 10.8 m170 -63.3 -42.14 99.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.973 0.416 . . . . 10.0 109.903 178.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -67.15 -47.56 70.65 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.837 -0.62 . . . . 10.0 110.218 179.222 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 13.4 mttm -58.79 -47.27 85.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.923 -0.58 . . . . 10.0 109.863 179.173 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.62 -44.2 93.54 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.742 179.251 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 86.4 m -61.48 -43.83 98.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.068 179.195 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -64.87 -41.65 95.49 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.22 178.486 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 36.4 m-70 -63.4 -31.9 73.19 Favored 'General case' 0 CA--C 1.518 -0.255 0 N-CA-C 109.506 -0.553 . . . . 10.0 109.506 178.508 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 59.0 mt -71.32 -36.32 71.54 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.615 -0.721 . . . . 10.0 110.174 178.702 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 34.4 m -66.11 -41.12 91.0 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.672 -0.492 . . . . 10.0 109.672 178.595 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 1.5 m -75.33 -23.09 57.21 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.513 0.673 . . . . 10.0 109.512 178.088 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 50.9 tp -69.33 -28.91 66.66 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 108.421 -0.955 . . . . 10.0 108.421 177.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 20.3 m -64.73 -31.29 72.45 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.573 -0.74 . . . . 10.0 109.239 178.283 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 362' ' ' GLU . . . . . 0.407 ' C ' ' HD2' ' A' ' 366' ' ' PRO . 7.0 mm-40 -67.44 -15.92 63.94 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 115.65 -0.704 . . . . 10.0 109.797 178.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 363' ' ' LYS . . . . . 0.571 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 82.7 mttt -101.03 -39.99 7.45 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.502 -0.772 . . . . 10.0 109.209 178.102 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -71.35 -30.38 66.11 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.651 -0.704 . . . . 10.0 112.892 -179.144 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 365' ' ' LYS . . . . . 0.936 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 71.6 mttt -101.96 -71.75 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.526 0 N-CA-C 112.543 0.571 . . . . 10.0 112.543 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 366' ' ' PRO . . . . . 0.936 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 34.6 Cg_exo -61.07 -58.34 0.47 Allowed 'Trans proline' 0 C--N 1.356 0.947 0 C-N-CA 122.391 2.06 . . . . 10.0 112.899 -179.465 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 367' ' ' ALA . . . . . 0.571 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -57.57 -53.91 52.83 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.551 0.574 . . . . 10.0 112.551 -179.217 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 368' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 363' ' ' LYS . 20.4 mt -58.42 -37.28 75.05 Favored 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 112.217 0.451 . . . . 10.0 112.217 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -68.46 -47.31 67.46 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 109.71 -0.478 . . . . 10.0 109.71 179.226 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -58.1 -39.52 78.81 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 109.534 -0.543 . . . . 10.0 109.534 179.029 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 371' ' ' LEU . . . . . 0.417 HD12 HD23 ' A' ' 368' ' ' LEU . 73.5 mt -64.5 -45.39 87.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.492 -0.776 . . . . 10.0 110.011 178.571 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 372' ' ' ARG . . . . . 0.473 ' O ' ' HG ' ' A' ' 376' ' ' LEU . 96.6 mtt180 -65.48 -40.74 93.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.874 0.369 . . . . 10.0 110.653 179.551 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -65.42 -42.47 92.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.005 178.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -68.59 -33.46 76.49 Favored Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.793 -0.639 . . . . 10.0 111.615 179.452 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 32.3 mt -71.62 -21.83 61.78 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.808 0.299 . . . . 10.0 111.808 179.265 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 376' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 372' ' ' ARG . 61.7 mt -55.77 -60.8 7.61 Favored Pre-proline 0 CA--C 1.536 0.418 0 N-CA-C 112.291 0.478 . . . . 10.0 112.291 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -65.32 -31.75 52.09 Favored 'Trans proline' 0 C--N 1.356 0.936 0 C-N-CA 121.751 1.634 . . . . 10.0 111.377 179.279 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 74.7 t -64.08 -53.94 37.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.295 179.291 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 95.3 mt -59.89 -41.28 91.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.386 -0.37 . . . . 10.0 110.634 179.488 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 -63.8 -45.48 89.47 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 116.276 -0.42 . . . . 10.0 110.916 179.439 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 78.7 p -67.35 -34.11 76.62 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-O 121.222 0.534 . . . . 10.0 110.231 178.601 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -64.81 -34.41 78.29 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.892 -0.594 . . . . 10.0 110.032 179.05 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -62.47 -46.57 87.9 Favored 'General case' 0 C--O 1.225 -0.185 0 N-CA-C 109.117 -0.697 . . . . 10.0 109.117 178.3 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 24.4 t -61.66 -42.38 94.0 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 CA-C-N 115.624 -0.716 . . . . 10.0 109.391 179.183 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 15.3 m -64.2 -47.31 80.22 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.743 -0.662 . . . . 10.0 110.573 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 386' ' ' PHE . . . . . 0.422 ' O ' ' HG ' ' A' ' 390' ' ' LEU . 2.5 m-85 -62.99 -47.06 84.77 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.115 179.69 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 46.6 mt -58.62 -52.46 65.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.043 -0.526 . . . . 10.0 111.732 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 388' ' ' SER . . . . . 0.632 ' HB2' ' HE2' ' D' ' 594' ' ' LYS . 11.2 p -61.3 -38.03 85.37 Favored 'General case' 0 C--N 1.33 -0.269 0 O-C-N 123.202 0.314 . . . . 10.0 110.951 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -66.34 -41.23 89.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.013 0.435 . . . . 10.0 110.661 179.073 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 390' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 386' ' ' PHE . 77.3 mt -62.83 -41.88 99.51 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.954 -0.566 . . . . 10.0 109.869 179.362 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 391' ' ' GLU . . . . . 0.435 ' O ' ' HB2' ' A' ' 395' ' ' LYS . 15.4 mt-10 -63.33 -33.76 76.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.589 -0.732 . . . . 10.0 110.717 179.432 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 392' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' A' ' 388' ' ' SER . 57.1 mm-40 -64.03 -37.82 88.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.011 0.434 . . . . 10.0 110.381 179.134 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -69.13 -43.15 74.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.862 -0.608 . . . . 10.0 109.897 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 394' ' ' THR . . . . . 0.42 ' O ' ' HB3' ' A' ' 398' ' ' ASN . 1.0 OUTLIER -71.44 -13.71 61.92 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.993 0.425 . . . . 10.0 110.484 179.354 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 395' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 391' ' ' GLU . 8.7 ttmt -88.67 -54.01 4.36 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 112.683 0.623 . . . . 10.0 112.683 -179.002 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 2.7 mptt -97.22 -19.27 18.71 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 113.932 1.086 . . . . 10.0 113.932 -177.458 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 38.4 mt -105.44 26.29 9.65 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.094 0.473 . . . . 10.0 111.403 -179.331 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 398' ' ' ASN . . . . . 0.42 ' HB3' ' O ' ' A' ' 394' ' ' THR . 41.0 t30 . . . . . 0 C--N 1.325 -0.497 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.15 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--O 1.231 0.106 0 CA-C-O 121.097 0.475 . . . . 10.0 110.77 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -90.9 21.85 3.94 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.874 -179.246 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 28.6 mt -64.9 -51.5 61.61 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.598 -0.728 . . . . 10.0 110.975 -179.191 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 69.9 mt -62.26 -34.98 77.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.75 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -64.16 -46.29 84.71 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.856 -0.611 . . . . 10.0 110.489 179.228 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 404' ' ' ASN . . . . . 0.439 ' O ' HG23 ' D' ' 408' ' ' VAL . 13.2 t30 -70.45 -32.22 69.71 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.187 179.415 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 1.1 m95 -58.67 -37.36 75.84 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.868 -0.606 . . . . 10.0 110.43 179.266 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -65.02 -41.26 95.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.906 -0.588 . . . . 10.0 109.78 178.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.44 -34.49 76.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.414 0.626 . . . . 10.0 109.642 178.795 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 408' ' ' VAL . . . . . 0.439 HG23 ' O ' ' D' ' 404' ' ' ASN . 66.5 t -73.27 -35.7 47.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.697 -0.683 . . . . 10.0 109.307 178.411 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 32.8 m -68.31 -42.14 79.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.689 -0.687 . . . . 10.0 110.227 179.334 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 17.8 m -60.31 -44.87 95.04 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 116.444 -0.344 . . . . 10.0 110.492 179.285 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 411' ' ' THR . . . . . 0.497 ' O ' ' HG ' ' D' ' 415' ' ' LEU . 0.9 OUTLIER -66.18 -38.88 89.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 10.0 110.732 179.752 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -64.88 -41.97 95.2 Favored 'General case' 0 CA--C 1.52 -0.174 0 N-CA-C 109.891 -0.411 . . . . 10.0 109.891 178.611 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 19.7 m -62.65 -41.72 99.2 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.838 -0.619 . . . . 10.0 109.657 178.658 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 414' ' ' LYS . . . . . 0.491 ' HD3' ' HA ' ' D' ' 414' ' ' LYS . 50.6 mmtt -66.17 -30.22 70.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.15 178.87 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 415' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' D' ' 411' ' ' THR . 65.8 mt -67.91 -39.24 83.61 Favored 'General case' 0 CA--C 1.519 -0.245 0 N-CA-C 109.216 -0.661 . . . . 10.0 109.216 178.294 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 65.5 mtt180 -66.27 -36.05 81.98 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.408 -0.589 . . . . 10.0 109.408 178.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -67.23 -21.96 65.72 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.647 178.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -90.53 -55.55 3.54 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.046 -0.724 . . . . 10.0 109.046 178.394 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 78.6 mt -48.57 -45.22 37.53 Favored 'General case' 0 C--O 1.228 -0.073 0 CA-C-N 115.433 -0.803 . . . . 10.0 112.585 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -53.03 -76.93 0.16 Allowed Glycine 0 C--N 1.333 0.396 0 C-N-CA 121.307 -0.473 . . . . 10.0 112.903 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 421' ' ' PRO . . . . . 0.405 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 50.0 Cg_exo -55.97 -38.2 95.01 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.838 2.359 . . . . 10.0 112.515 179.464 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 16.4 t -60.33 -47.26 93.08 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.252 0 N-CA-C 111.715 0.265 . . . . 10.0 111.715 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 24.8 p -67.04 -30.49 70.58 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 120.819 -0.352 . . . . 10.0 110.483 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -63.41 -50.1 71.15 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.115 -0.493 . . . . 10.0 109.714 179.011 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 425' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 10.8 pt-20 -76.22 -28.51 57.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 10.0 110.904 179.151 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 426' ' ' PHE . . . . . 0.448 ' O ' ' HG ' ' D' ' 430' ' ' LEU . 52.2 t80 -64.44 -39.09 93.17 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 109.3 -0.629 . . . . 10.0 109.3 178.453 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 5.0 m95 -66.91 -36.77 83.01 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 109.516 -0.549 . . . . 10.0 109.516 178.517 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 428' ' ' ASP . . . . . 0.486 ' O ' ' HG3' ' D' ' 432' ' ' LYS . 32.5 t70 -67.99 -30.89 70.26 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 108.867 -0.79 . . . . 10.0 108.867 178.163 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.53 -41.62 65.66 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.584 -0.895 . . . . 10.0 108.584 177.256 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 430' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' D' ' 426' ' ' PHE . 92.8 mt -60.62 -40.09 90.6 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.538 -0.755 . . . . 10.0 109.7 178.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -62.23 -31.85 72.44 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.279 0.561 . . . . 10.0 110.151 178.735 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 432' ' ' LYS . . . . . 0.486 ' HG3' ' O ' ' D' ' 428' ' ' ASP . 53.6 mttp -71.94 -43.24 65.56 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.643 -0.873 . . . . 10.0 108.643 178.365 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -65.42 -45.79 82.52 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.289 -0.869 . . . . 10.0 111.454 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 5.1 p -60.78 -50.16 74.56 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-O 120.619 0.247 . . . . 10.0 110.556 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 435' ' ' GLU . . . . . 0.477 ' O ' ' HG3' ' D' ' 439' ' ' GLN . 8.0 mm-40 -63.84 -46.3 85.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.642 179.585 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -58.78 -47.99 87.5 Favored Glycine 0 N--CA 1.452 -0.266 0 N-CA-C 111.235 -0.746 . . . . 10.0 111.235 179.126 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 61.4 mt -64.17 -32.74 74.43 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 110.051 -0.351 . . . . 10.0 110.051 178.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 63.4 mtt180 -64.78 -33.83 76.91 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-N 116.537 -0.302 . . . . 10.0 110.626 178.631 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 439' ' ' GLN . . . . . 0.477 ' HG3' ' O ' ' D' ' 435' ' ' GLU . 81.8 mt-30 -67.03 -44.06 81.19 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.728 -0.842 . . . . 10.0 108.728 178.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 440' ' ' GLU . . . . . 0.532 ' O ' ' HB2' ' D' ' 444' ' ' ASP . 39.1 mt-10 -68.43 -41.3 80.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.605 -0.725 . . . . 10.0 110.031 179.168 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 88.4 mmm -67.61 -40.52 84.7 Favored 'General case' 0 C--O 1.225 -0.204 0 N-CA-C 113.095 0.776 . . . . 10.0 113.095 -179.4 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 2.5 p -60.51 -52.44 65.17 Favored 'General case' 0 CA--C 1.518 -0.271 0 C-N-CA 120.901 -0.32 . . . . 10.0 110.166 179.713 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -61.57 -36.76 81.54 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.523 -0.547 . . . . 10.0 109.523 179.006 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 444' ' ' ASP . . . . . 0.603 ' O ' ' HB ' ' D' ' 448' ' ' VAL . 2.1 t70 -66.13 -58.73 4.79 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.802 -0.635 . . . . 10.0 111.835 -179.264 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 92.0 mt -63.23 -46.0 88.99 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.804 0.668 . . . . 10.0 112.804 -178.448 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -61.74 -48.22 81.66 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.85 0.357 . . . . 10.0 110.953 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 447' ' ' GLU . . . . . 0.498 ' HB3' ' NH2' ' A' ' 330' ' ' ARG . 7.5 tt0 -73.42 -22.89 60.11 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.43 -0.35 . . . . 10.0 110.695 179.649 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 448' ' ' VAL . . . . . 0.603 ' HB ' ' O ' ' D' ' 444' ' ' ASP . 0.5 OUTLIER -64.56 -33.72 64.9 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.141 0 CA-C-N 116.46 -0.336 . . . . 10.0 110.714 179.711 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -64.37 -39.1 93.21 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.256 -1.016 . . . . 10.0 108.256 178.337 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -83.08 8.19 13.65 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.406 -0.815 . . . . 10.0 110.458 179.431 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 451' ' ' LYS . . . . . 0.489 ' O ' ' HB2' ' D' ' 455' ' ' TYR . 31.1 mmtm -114.27 -54.31 2.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.042 179.368 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 61.3 t -63.56 -38.69 82.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.914 -0.585 . . . . 10.0 111.69 -179.433 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -59.5 -60.5 10.39 Favored Pre-proline 0 C--N 1.329 -0.302 0 N-CA-C 112.306 0.484 . . . . 10.0 112.306 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -64.39 -32.54 60.46 Favored 'Trans proline' 0 C--N 1.357 1.0 0 C-N-CA 121.72 1.613 . . . . 10.0 111.774 178.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 455' ' ' TYR . . . . . 0.489 ' HB2' ' O ' ' D' ' 451' ' ' LYS . 18.1 t80 -63.0 -50.19 71.73 Favored 'General case' 0 C--N 1.333 -0.132 0 N-CA-C 109.802 -0.444 . . . . 10.0 109.802 179.191 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 456' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' D' ' 456' ' ' LEU . 24.8 mt -70.39 -27.97 64.72 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.763 179.599 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -66.26 -53.26 38.97 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.992 0.425 . . . . 10.0 109.998 178.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 458' ' ' ASP . . . . . 0.417 ' HA ' ' HD2' ' D' ' 461' ' ' LYS . 22.5 t70 -66.91 -35.75 80.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.877 -0.601 . . . . 10.0 109.578 178.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 459' ' ' PHE . . . . . 0.456 ' HB2' ' O ' ' D' ' 455' ' ' TYR . 0.5 OUTLIER -66.79 -37.54 84.77 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 116.08 -0.509 . . . . 10.0 109.656 178.354 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D ' 460' ' ' GLN . . . . . 0.426 ' HA ' ' CE3' ' D' ' 463' ' ' TRP . 46.2 tt0 -63.37 -42.99 98.88 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.847 -0.797 . . . . 10.0 108.847 178.788 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 461' ' ' LYS . . . . . 0.417 ' HD2' ' HA ' ' D' ' 458' ' ' ASP . 68.2 mttt -62.41 -38.17 88.65 Favored 'General case' 0 CA--C 1.52 -0.201 0 N-CA-C 109.169 -0.678 . . . . 10.0 109.169 178.487 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 462' ' ' LYS . . . . . 0.41 ' HE2' ' HB2' ' D' ' 462' ' ' LYS . 0.2 OUTLIER -67.08 -41.4 86.41 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.489 -0.778 . . . . 10.0 109.632 178.628 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D ' 463' ' ' TRP . . . . . 0.426 ' CE3' ' HA ' ' D' ' 460' ' ' GLN . 32.0 m0 -65.31 -37.71 87.96 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.331 -0.618 . . . . 10.0 109.331 178.257 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -64.11 -47.61 79.34 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 108.599 -0.889 . . . . 10.0 108.599 178.193 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 465' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -55.39 -49.26 72.81 Favored 'General case' 0 C--O 1.224 -0.245 0 N-CA-C 109.615 -0.513 . . . . 10.0 109.615 178.8 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -60.44 -50.32 74.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.462 -0.79 . . . . 10.0 111.07 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 42.9 ttm -60.45 -50.02 75.25 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.88 0.371 . . . . 10.0 111.3 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -63.86 -35.08 79.45 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.178 -0.465 . . . . 10.0 110.597 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 469' ' ' LEU . . . . . 0.545 HD11 ' HG3' ' A' ' 308' ' ' ARG . 16.5 mt -67.73 -36.63 80.94 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 109.711 -0.478 . . . . 10.0 109.711 178.637 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -66.21 -24.66 66.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.954 0.407 . . . . 10.0 110.47 179.353 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -82.09 -8.53 59.66 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.049 0.452 . . . . 10.0 110.077 178.615 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -114.98 -2.41 12.84 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.604 -0.726 . . . . 10.0 109.423 178.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 473' ' ' LYS . . . . . 0.586 ' HE2' ' HB3' ' A' ' 301' ' ' LEU . 19.4 mttt -126.04 -64.65 1.03 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.703 -0.68 . . . . 10.0 110.781 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 82.1 t -62.48 -39.21 83.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.515 -0.312 . . . . 10.0 110.979 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -56.45 -60.68 8.43 Favored Pre-proline 0 CA--C 1.536 0.434 0 CA-C-N 116.705 -0.225 . . . . 10.0 111.183 178.781 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -63.4 -34.6 65.47 Favored 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 121.432 1.421 . . . . 10.0 110.855 178.131 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 477' ' ' LEU . . . . . 0.438 HD23 ' HA ' ' D' ' 477' ' ' LEU . 16.6 mt -64.1 -33.77 76.51 Favored 'General case' 0 C--O 1.223 -0.317 0 C-N-CA 121.054 -0.258 . . . . 10.0 110.808 179.186 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 60.2 mtt-85 -66.1 -34.74 78.75 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.046 -0.724 . . . . 10.0 109.046 178.229 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -73.0 -41.72 63.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.524 -0.762 . . . . 10.0 109.027 178.334 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.82 -42.43 94.99 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.053 -0.521 . . . . 10.0 109.763 178.592 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 23.8 mt -65.72 -41.85 91.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.828 -0.624 . . . . 10.0 109.564 178.552 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -63.8 -44.89 91.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.374 -0.375 . . . . 10.0 110.018 179.056 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -63.11 -42.51 99.58 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.5 -0.556 . . . . 10.0 109.5 179.293 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -65.37 -42.59 95.93 Favored Glycine 0 N--CA 1.449 -0.493 0 N-CA-C 110.843 -0.903 . . . . 10.0 110.843 178.549 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -64.0 -37.85 88.92 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 109.934 -0.395 . . . . 10.0 109.934 178.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 89.2 mtt180 -60.95 -48.29 82.49 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 109.539 -0.541 . . . . 10.0 109.539 178.643 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 487' ' ' GLN . . . . . 0.42 ' HA ' ' OE1' ' D' ' 487' ' ' GLN . 15.7 mm-40 -64.21 -42.75 96.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.624 179.505 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 69.8 tttt -65.22 -37.05 86.07 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.975 -0.38 . . . . 10.0 109.975 179.166 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 489' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' D' ' 489' ' ' LEU . 18.6 mt -65.85 -40.33 91.6 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.137 -0.69 . . . . 10.0 109.137 178.174 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -64.11 -41.67 97.16 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.252 -1.018 . . . . 10.0 108.252 178.228 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -60.35 -46.76 88.78 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.879 -0.785 . . . . 10.0 108.879 177.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 93.8 mt -64.42 -40.32 95.55 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-N 115.661 -0.699 . . . . 10.0 111.046 179.473 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -62.09 -36.39 81.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.382 0.61 . . . . 10.0 110.567 179.197 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -87.96 11.24 16.38 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.955 -0.566 . . . . 10.0 111.012 179.488 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 495' ' ' LYS . . . . . 1.024 ' HE3' HD22 ' A' ' 279' ' ' LEU . 53.7 mttp -124.11 -55.91 1.66 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.231 -0.441 . . . . 10.0 110.465 179.281 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 496' ' ' LEU . . . . . 0.522 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 80.9 mt -62.87 -19.54 64.25 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.489 0.552 . . . . 10.0 112.489 -179.231 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 497' ' ' SER . . . . . 0.518 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 3.4 m -85.97 -65.55 0.2 Allowed Pre-proline 0 C--N 1.324 -0.531 0 C-N-CA 120.789 -0.364 . . . . 10.0 111.303 178.854 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 498' ' ' PRO . . . . . 0.518 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 29.4 Cg_endo -63.67 -48.35 5.74 Favored 'Trans proline' 0 C--N 1.356 0.974 0 C-N-CA 121.606 1.537 . . . . 10.0 111.952 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 499' ' ' LEU . . . . . 0.66 HD21 ' HG2' ' A' ' 275' ' ' LYS . 77.0 mt -73.32 -32.3 64.5 Favored 'General case' 0 CA--C 1.522 -0.107 0 CA-C-O 120.772 0.32 . . . . 10.0 110.19 179.764 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 500' ' ' GLY . . . . . 0.522 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -65.62 -49.53 59.48 Favored Glycine 0 N--CA 1.449 -0.486 0 N-CA-C 110.634 -0.986 . . . . 10.0 110.634 179.192 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -63.86 -34.61 78.33 Favored 'General case' 0 CA--C 1.519 -0.235 0 N-CA-C 109.2 -0.667 . . . . 10.0 109.2 178.322 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 502' ' ' GLU . . . . . 0.498 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 28.6 tt0 -64.2 -43.19 95.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.521 -0.763 . . . . 10.0 109.163 178.538 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 503' ' ' MET . . . . . 0.828 ' HA ' ' HD2' ' D' ' 506' ' ' ARG . 86.0 mmm -61.93 -42.07 98.68 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 109.633 -0.506 . . . . 10.0 109.633 179.053 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 504' ' ' ARG . . . . . 0.482 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 87.3 mtt180 -64.23 -38.77 92.24 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.514 -0.767 . . . . 10.0 109.382 178.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 505' ' ' ASP . . . . . 0.699 ' HA ' ' HD2' ' D' ' 508' ' ' ARG . 13.6 t70 -68.05 -36.25 79.57 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.016 0.436 . . . . 10.0 110.378 179.201 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 506' ' ' ARG . . . . . 0.828 ' HD2' ' HA ' ' D' ' 503' ' ' MET . 37.9 mtt180 -63.55 -43.82 95.97 Favored 'General case' 0 CA--C 1.52 -0.203 0 N-CA-C 107.477 -1.305 . . . . 10.0 107.477 177.387 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -63.06 -35.24 79.6 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 114.933 -1.03 . . . . 10.0 110.003 178.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 508' ' ' ARG . . . . . 0.699 ' HD2' ' HA ' ' D' ' 505' ' ' ASP . 72.8 mtt180 -61.8 -33.56 74.34 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.828 -0.434 . . . . 10.0 109.828 178.626 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 509' ' ' ALA . . . . . 0.446 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -79.73 -35.38 38.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.436 179.402 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 510' ' ' HIS . . . . . 0.468 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 52.0 m-70 -73.25 -49.41 27.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.223 -0.444 . . . . 10.0 111.263 179.602 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 511' ' ' VAL . . . . . 0.408 ' O ' ' HG3' ' D' ' 515' ' ' ARG . 96.2 t -63.1 -40.45 89.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.413 -0.358 . . . . 10.0 110.036 179.628 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 512' ' ' ASP . . . . . 0.457 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 31.1 t70 -65.1 -34.09 77.57 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 121.037 0.446 . . . . 10.0 109.845 178.87 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -65.87 -42.58 90.17 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 108.669 -0.863 . . . . 10.0 108.669 178.155 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 514' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' D' ' 510' ' ' HIS . 89.3 mt -57.83 -32.76 67.92 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.077 -0.511 . . . . 10.0 110.476 179.095 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 515' ' ' ARG . . . . . 0.457 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 68.0 mtt180 -67.66 -20.62 65.33 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.22 179.243 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -112.1 -1.7 15.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.362 0.601 . . . . 10.0 110.078 179.429 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 517' ' ' HIS . . . . . 0.457 ' O ' ' HB2' ' D' ' 521' ' ' TYR . 25.5 m170 -110.81 -72.27 0.73 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.037 -0.529 . . . . 10.0 111.491 -179.405 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 61.4 mt -70.95 -42.32 69.96 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.969 0.729 . . . . 10.0 112.969 -178.317 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 519' ' ' ALA . . . . . 0.66 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -56.66 -57.1 25.88 Favored Pre-proline 0 C--O 1.238 0.462 0 N-CA-C 112.449 0.537 . . . . 10.0 112.449 -179.771 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 520' ' ' PRO . . . . . 0.66 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 27.4 Cg_exo -65.8 -31.09 49.05 Favored 'Trans proline' 0 C--N 1.355 0.871 0 C-N-CA 121.953 1.769 . . . . 10.0 111.418 179.084 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 521' ' ' TYR . . . . . 0.478 ' HA ' ' OE1' ' D' ' 524' ' ' GLU . 18.1 t80 -68.48 -35.46 77.57 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 116.227 -0.442 . . . . 10.0 109.94 179.513 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 522' ' ' SER . . . . . 0.486 ' O ' ' HG3' ' D' ' 526' ' ' ARG . 71.0 m -63.89 -34.12 77.23 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 109.722 -0.473 . . . . 10.0 109.722 178.495 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 523' ' ' ASP . . . . . 0.612 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 10.1 t70 -68.48 -38.74 81.29 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 115.954 -0.566 . . . . 10.0 109.582 178.504 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 524' ' ' GLU . . . . . 0.478 ' OE1' ' HA ' ' D' ' 521' ' ' TYR . 9.8 mt-10 -68.54 -34.28 75.58 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.833 -0.803 . . . . 10.0 108.833 178.018 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 525' ' ' LEU . . . . . 0.568 HD23 ' HD2' ' D' ' 528' ' ' ARG . 25.3 mt -69.0 -34.01 74.58 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 115.442 -0.799 . . . . 10.0 109.837 177.855 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 526' ' ' ARG . . . . . 0.612 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 85.0 mtt180 -59.94 -38.01 81.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.081 0.467 . . . . 10.0 109.843 178.629 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -69.77 -37.74 76.49 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.257 -0.646 . . . . 10.0 109.257 178.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 528' ' ' ARG . . . . . 0.568 ' HD2' HD23 ' D' ' 525' ' ' LEU . 74.5 mtt180 -68.65 -42.04 78.5 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.616 -0.72 . . . . 10.0 109.465 178.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 529' ' ' LEU . . . . . 0.438 ' O ' ' HG ' ' D' ' 533' ' ' LEU . 81.6 mt -66.62 -32.61 74.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.89 -0.596 . . . . 10.0 109.975 178.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -64.11 -43.7 94.5 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.536 -0.542 . . . . 10.0 109.536 178.737 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -69.57 -38.07 77.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.501 -0.772 . . . . 10.0 109.168 178.606 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 532' ' ' ARG . . . . . 0.493 ' O ' ' HG ' ' D' ' 536' ' ' LEU . 4.2 ttm180 -61.45 -52.7 63.47 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.057 -0.974 . . . . 10.0 109.828 178.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 533' ' ' LEU . . . . . 0.454 HD23 HD12 ' D' ' 536' ' ' LEU . 97.4 mt -64.06 -32.13 73.58 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 115.793 -0.639 . . . . 10.0 110.283 179.596 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -62.03 -47.69 83.63 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 108.981 -0.748 . . . . 10.0 108.981 178.277 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -63.98 -43.31 96.13 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.469 -0.787 . . . . 10.0 109.324 178.473 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 536' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' D' ' 532' ' ' ARG . 89.7 mt -63.15 -28.13 69.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.853 179.262 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -79.87 -46.5 16.71 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 110.252 -0.277 . . . . 10.0 110.252 178.752 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.36 -50.99 67.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.051 179.357 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -70.36 -32.48 70.19 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 109.198 -0.668 . . . . 10.0 109.198 178.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 540' ' ' GLY . . . . . 0.427 ' O ' ' HG ' ' D' ' 544' ' ' LEU . . . -64.7 -44.73 94.48 Favored Glycine 0 CA--C 1.51 -0.275 0 N-CA-C 110.85 -0.9 . . . . 10.0 110.85 179.219 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -62.53 -37.06 94.08 Favored Glycine 0 N--CA 1.448 -0.557 0 N-CA-C 110.608 -0.997 . . . . 10.0 110.608 178.489 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -67.13 -48.36 68.33 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 108.555 -0.906 . . . . 10.0 108.555 178.263 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 543' ' ' ARG . . . . . 0.446 HH11 ' HD2' ' D' ' 543' ' ' ARG . 30.5 mtt180 -56.4 -45.97 80.36 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.704 -0.68 . . . . 10.0 110.512 179.204 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 544' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' D' ' 540' ' ' GLY . 48.2 mt -58.56 -40.99 84.64 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.592 0.234 . . . . 10.0 110.846 179.709 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -68.49 -44.92 73.69 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.057 -0.519 . . . . 10.0 110.369 179.479 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -64.25 -52.65 57.68 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.859 179.55 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 547' ' ' TYR . . . . . 0.407 ' HD1' ' O ' ' D' ' 543' ' ' ARG . 29.1 m-85 -59.34 -35.87 74.65 Favored 'General case' 0 C--O 1.225 -0.208 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.9 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 548' ' ' HIS . . . . . 0.419 ' HB2' ' O ' ' D' ' 544' ' ' LEU . 9.7 t-160 -66.77 -45.71 77.6 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.768 -0.456 . . . . 10.0 109.768 178.679 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -64.02 -45.91 86.82 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 109.581 -0.526 . . . . 10.0 109.581 178.789 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.93 -36.95 85.12 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-N 115.533 -0.758 . . . . 10.0 110.542 179.387 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -66.29 -38.17 87.12 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 110.082 -0.34 . . . . 10.0 110.082 179.352 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 6.2 m -70.63 -43.2 69.73 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.124 -0.695 . . . . 10.0 109.124 178.558 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -62.37 -45.82 91.42 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 109.463 -0.569 . . . . 10.0 109.463 178.502 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -62.01 -41.39 98.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.513 -0.767 . . . . 10.0 110.246 179.268 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 20.9 tp -63.91 -33.49 75.83 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 109.611 -0.514 . . . . 10.0 109.611 178.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 24.3 m -69.69 -42.75 73.68 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.74 -0.664 . . . . 10.0 110.294 179.469 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.1 -34.44 71.12 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.03 0.443 . . . . 10.0 109.845 178.627 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 32.4 mt -63.14 -46.12 88.71 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.029 178.651 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 559' ' ' SER . . . . . 0.435 ' HA ' ' HB3' ' D' ' 562' ' ' ALA . 2.8 p -71.54 -30.66 66.15 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.091 0.472 . . . . 10.0 110.283 178.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -64.26 -31.95 73.35 Favored 'General case' 0 C--O 1.224 -0.242 0 N-CA-C 109.127 -0.694 . . . . 10.0 109.127 178.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -103.5 4.36 35.85 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.59 -0.732 . . . . 10.0 110.354 179.15 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 562' ' ' ALA . . . . . 0.435 ' HB3' ' HA ' ' D' ' 559' ' ' SER . . . -90.21 -55.11 3.73 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.476 -0.329 . . . . 10.0 110.587 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 563' ' ' LYS . . . . . 0.441 ' N ' ' HD2' ' D' ' 564' ' ' PRO . 90.5 mttt -52.46 -55.29 33.46 Favored Pre-proline 0 CA--C 1.532 0.272 0 CA-C-N 116.247 -0.433 . . . . 10.0 112.112 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 564' ' ' PRO . . . . . 0.441 ' HD2' ' N ' ' D' ' 563' ' ' LYS . 28.2 Cg_endo -62.73 -40.94 33.55 Favored 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 121.835 1.69 . . . . 10.0 112.22 179.641 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -66.44 -48.2 70.75 Favored 'General case' 0 C--O 1.224 -0.245 0 N-CA-C 112.055 0.391 . . . . 10.0 112.055 -179.247 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 91.3 mt -60.08 -46.27 90.12 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 120.621 0.248 . . . . 10.0 110.844 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -67.66 -41.15 84.23 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.424 -0.353 . . . . 10.0 110.855 179.246 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -63.62 -44.55 93.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.442 -0.345 . . . . 10.0 110.216 179.499 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 40.1 mt -62.84 -40.67 98.15 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-N 116.136 -0.483 . . . . 10.0 110.196 178.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 66.3 mtt180 -65.68 -47.85 74.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.91 0.386 . . . . 10.0 110.456 179.136 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -71.46 -12.29 61.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.033 -0.53 . . . . 10.0 111.38 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -100.14 -31.75 5.81 Favored Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 111.317 -0.713 . . . . 10.0 111.317 179.143 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 573' ' ' LEU . . . . . 0.578 ' HA ' HG12 ' D' ' 576' ' ' VAL . 20.2 mt -74.5 -36.79 63.25 Favored 'General case' 0 C--O 1.22 -0.468 0 N-CA-C 111.38 0.141 . . . . 10.0 111.38 179.674 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 574' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' D' ' 574' ' ' LEU . 34.6 mt -55.54 -60.5 8.3 Favored Pre-proline 0 CA--C 1.536 0.419 0 N-CA-C 112.302 0.482 . . . . 10.0 112.302 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -63.4 -37.27 50.35 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 122.001 1.8 . . . . 10.0 112.081 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 576' ' ' VAL . . . . . 0.578 HG12 ' HA ' ' D' ' 573' ' ' LEU . 0.9 OUTLIER -69.53 -34.32 61.22 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 C-N-CA 120.812 -0.355 . . . . 10.0 111.121 -179.784 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D ' 577' ' ' LEU . . . . . 0.479 ' O ' ' HG3' ' D' ' 581' ' ' LYS . 11.4 mt -64.55 -44.29 91.26 Favored 'General case' 0 CA--C 1.511 -0.539 0 N-CA-C 109.365 -0.606 . . . . 10.0 109.365 178.258 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 578' ' ' GLU . . . . . 0.416 ' O ' HG23 ' D' ' 582' ' ' VAL . 70.7 mm-40 -60.64 -40.26 91.32 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.829 -0.623 . . . . 10.0 109.459 178.458 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 13.6 m -62.81 -44.55 95.85 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 109.16 -0.682 . . . . 10.0 109.16 178.637 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 580' ' ' PHE . . . . . 0.468 ' O ' ' HB2' ' D' ' 584' ' ' PHE . 15.8 m-85 -64.67 -36.96 85.96 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.758 -0.655 . . . . 10.0 110.739 179.258 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 581' ' ' LYS . . . . . 0.479 ' HG3' ' O ' ' D' ' 577' ' ' LEU . 93.4 mttt -62.09 -50.48 71.78 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 116.448 -0.342 . . . . 10.0 110.122 179.205 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 582' ' ' VAL . . . . . 0.416 HG23 ' O ' ' D' ' 578' ' ' GLU . 81.4 t -57.73 -49.77 79.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.706 179.401 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 20.2 m -61.62 -37.74 85.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.278 -0.419 . . . . 10.0 111.073 179.418 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 584' ' ' PHE . . . . . 0.468 ' HB2' ' O ' ' D' ' 580' ' ' PHE . 0.2 OUTLIER -68.34 -48.6 64.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.436 -0.347 . . . . 10.0 111.211 -179.918 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 84.6 mt -59.85 -47.93 83.73 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.333 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 10.0 p -65.52 -35.25 80.32 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.934 0.397 . . . . 10.0 110.571 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -67.58 -55.4 13.55 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.207 178.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 93.8 mt -56.74 -43.77 81.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.906 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -56.02 -50.32 71.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.855 179.416 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -71.1 -37.28 72.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.325 -0.398 . . . . 10.0 111.602 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -60.85 -41.14 95.27 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.878 0.371 . . . . 10.0 110.102 179.143 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 16.7 m -64.08 -38.8 92.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.538 179.486 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -71.45 -39.18 71.17 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.919 0.39 . . . . 10.0 110.625 179.217 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 594' ' ' LYS . . . . . 0.632 ' HE2' ' HB2' ' A' ' 388' ' ' SER . 7.7 mptt -70.39 -29.78 66.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 10.0 112.291 -179.425 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 71.5 mt -102.39 11.39 38.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.007 0.432 . . . . 10.0 111.965 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 . . . . . 0 C--N 1.323 -0.576 0 CA-C-N 116.33 -0.395 . . . . 10.0 111.703 -179.704 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 N--CA 1.456 -0.166 0 CA-C-O 120.897 0.379 . . . . 10.0 110.646 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 22.0 m -143.63 136.6 27.59 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.321 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.476 ' HA ' ' HB3' ' B' ' 52' ' ' LEU . 26.5 tt0 -91.2 140.26 29.97 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.924 -0.399 . . . . 10.0 109.924 179.398 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -127.51 114.19 17.13 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 120.807 0.337 . . . . 10.0 110.433 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 47.4 mttm -83.23 107.74 15.98 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.551 -179.669 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.474 HD11 HD22 ' B' ' 53' ' ' LEU . 0.7 OUTLIER -111.87 138.51 48.39 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.744 -0.662 . . . . 10.0 111.437 -178.054 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 45.4 t -124.64 123.1 65.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.018 179.512 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 67.7 t -95.11 111.11 25.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.411 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 15.8 m -107.69 164.36 5.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.32 -0.4 . . . . 10.0 111.155 -179.224 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 152.76 -175.41 31.33 Favored Glycine 0 N--CA 1.443 -0.894 0 N-CA-C 111.35 -0.7 . . . . 10.0 111.35 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' ALA . . . . . 0.497 ' HB3' ' HB3' ' B' ' 89' ' ' SER . . . -84.12 -168.07 2.01 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.788 0.327 . . . . 10.0 111.342 -179.495 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -94.28 136.43 34.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.197 0.523 . . . . 10.0 111.374 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.34 14.88 81.72 Favored Glycine 0 N--CA 1.451 -0.319 0 CA-C-N 115.581 -0.736 . . . . 10.0 113.163 179.356 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 27.6 m -81.89 -23.5 9.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.086 0.47 . . . . 10.0 111.222 -179.691 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.51 18.86 10.4 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.583 -0.818 . . . . 10.0 112.289 179.589 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 16' ' ' LYS . . . . . 0.512 ' HG3' ' OD1' ' B' ' 57' ' ' ASP . 9.9 ptmm? -63.42 -22.65 67.01 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 121.391 0.615 . . . . 10.0 110.927 179.699 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.22 -46.46 8.77 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 109.295 -0.631 . . . . 10.0 109.295 178.473 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.82 -49.52 73.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.617 -0.719 . . . . 10.0 111.805 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.517 HD23 ' HB2' ' B' ' 146' ' ' ALA . 68.7 mt -58.72 -48.34 81.49 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.384 -0.371 . . . . 10.0 111.456 -179.748 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 13.3 m -62.97 -44.66 95.43 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 116.067 -0.515 . . . . 10.0 111.166 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 93.6 mt -63.73 -33.61 62.83 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 CA-C-N 116.43 -0.35 . . . . 10.0 111.75 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 22' ' ' GLN . . . . . 0.563 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 6.1 mm-40 -66.35 -23.35 66.33 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.849 0.356 . . . . 10.0 111.686 179.738 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 6.2 tp -92.78 -34.52 13.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.144 0.497 . . . . 10.0 110.784 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 47.6 mm -78.79 -60.79 2.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 112.519 0.563 . . . . 10.0 112.519 -178.795 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -101.31 -0.42 35.66 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.782 0.66 . . . . 10.0 112.782 -177.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 26' ' ' ASN . . . . . 0.563 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 90.1 m-20 58.28 36.8 25.9 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 113.597 0.962 . . . . 10.0 113.597 178.308 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -139.31 155.1 47.95 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.745 0.307 . . . . 10.0 111.075 179.027 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -97.46 142.76 28.92 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.771 -179.522 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 3.9 m -104.11 113.66 41.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.141 -0.481 . . . . 10.0 111.284 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -90.38 -6.64 54.76 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.437 0.637 . . . . 10.0 109.586 179.361 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -106.7 121.5 44.48 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.449 -0.796 . . . . 10.0 110.51 179.588 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -71.92 127.96 34.22 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.898 -179.437 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -135.3 109.21 10.42 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.68 -0.236 . . . . 10.0 110.803 179.433 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -56.21 115.17 2.28 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 123.082 2.522 . . . . 10.0 112.047 -179.507 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 1.3 m -91.71 118.75 30.94 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.673 -179.552 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 40.7 mm -81.8 -45.41 20.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 109.016 -0.735 . . . . 10.0 109.016 178.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 37' ' ' GLU . . . . . 0.743 ' HG2' HD11 ' B' ' 56' ' ' LEU . 6.8 tt0 -178.76 95.26 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.223 -0.899 . . . . 10.0 109.706 178.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -118.0 127.21 53.6 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 121.0 -0.28 . . . . 10.0 110.425 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 39' ' ' SER . . . . . 0.586 ' HB2' ' NH1' ' B' ' 41' ' ' ARG . 1.6 p -104.8 130.39 52.91 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.933 0.397 . . . . 10.0 111.043 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -119.56 137.22 53.97 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.255 -0.43 . . . . 10.0 110.886 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.586 ' NH1' ' HB2' ' B' ' 39' ' ' SER . 2.0 mpp_? -108.71 128.51 54.93 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.466 -0.334 . . . . 10.0 110.77 -179.711 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 42' ' ' LYS . . . . . 0.547 ' HB3' ' HB2' ' B' ' 53' ' ' LEU . 41.0 tptt -131.16 145.51 51.99 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.146 -179.737 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -128.88 111.2 12.81 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 110.212 -0.292 . . . . 10.0 110.212 179.259 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 2.0 m -135.91 158.85 39.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.415 -0.357 . . . . 10.0 111.348 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 13.5 t -94.43 96.82 6.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.322 -0.399 . . . . 10.0 109.946 179.362 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 46' ' ' ILE . . . . . 0.516 ' HB ' ' SG ' ' B' ' 51' ' ' CYS . 73.3 mt -103.71 120.73 54.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.275 -0.421 . . . . 10.0 110.554 -179.529 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 47' ' ' ASP . . . . . 0.441 ' HB2' HH12 ' B' ' 164' ' ' ARG . 71.8 m-20 68.6 25.65 6.54 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.505 -0.771 . . . . 10.0 111.764 179.306 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.42 5.27 85.15 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.756 -0.735 . . . . 10.0 112.814 179.555 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -125.57 135.89 52.71 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.856 0.328 . . . . 10.0 110.492 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 1.7 m -68.31 128.75 37.7 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.804 -0.443 . . . . 10.0 109.804 179.328 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 51' ' ' CYS . . . . . 0.516 ' SG ' ' HB ' ' B' ' 46' ' ' ILE . 2.1 m -123.56 126.4 46.6 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.834 0.35 . . . . 10.0 111.3 -179.319 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.476 ' HB3' ' HA ' ' B' ' 3' ' ' GLU . 47.2 tp -90.94 102.03 14.8 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.451 -0.944 . . . . 10.0 108.451 178.356 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 53' ' ' LEU . . . . . 0.547 ' HB2' ' HB3' ' B' ' 42' ' ' LYS . 34.1 mt -82.7 113.7 20.55 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 116.02 -0.536 . . . . 10.0 111.78 -178.088 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -103.95 89.29 3.25 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 107.849 -1.167 . . . . 10.0 107.849 178.119 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 55' ' ' ILE . . . . . 0.411 HG12 HD12 ' B' ' 6' ' ' LEU . 1.4 mt -94.56 148.74 4.76 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 115.953 -0.567 . . . . 10.0 111.984 -177.534 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.743 HD11 ' HG2' ' B' ' 37' ' ' GLU . 20.6 tp -140.09 121.15 14.68 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.259 -0.428 . . . . 10.0 110.459 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 57' ' ' ASP . . . . . 0.512 ' OD1' ' HG3' ' B' ' 16' ' ' LYS . 26.3 t0 -89.99 105.94 18.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.783 0.325 . . . . 10.0 110.318 179.082 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 22.9 p -77.9 162.47 26.8 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.839 -0.619 . . . . 10.0 111.58 -179.521 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -83.66 113.4 20.83 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 116.137 -0.483 . . . . 10.0 109.872 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -91.35 35.75 3.84 Favored Glycine 0 N--CA 1.452 -0.266 0 CA-C-N 116.133 -0.485 . . . . 10.0 112.473 -179.406 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -93.49 1.34 56.82 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.96 0.41 . . . . 10.0 110.701 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 61.73 -166.59 0.21 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.48 -0.782 . . . . 10.0 112.846 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 78.01 -41.78 0.34 Allowed 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.268 0.627 . . . . 10.0 111.355 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 64' ' ' TYR . . . . . 0.818 ' HB3' ' HB3' ' B' ' 67' ' ' MET . 11.6 m-85 -58.71 96.51 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 121.086 0.469 . . . . 10.0 110.781 179.676 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.33 -40.57 12.69 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.753 -179.408 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -82.93 -32.8 27.02 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.683 -0.488 . . . . 10.0 109.683 179.552 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 67' ' ' MET . . . . . 0.818 ' HB3' ' HB3' ' B' ' 64' ' ' TYR . 17.6 tpp -78.14 67.8 4.04 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.249 -0.649 . . . . 10.0 109.249 179.387 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.11 -60.13 0.32 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.188 -179.151 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.504 ' HA ' HG11 ' B' ' 103' ' ' VAL . 3.8 m-20 -48.14 -50.77 27.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.27 -0.877 . . . . 10.0 112.697 -179.335 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -40.13 -61.9 0.81 Allowed 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 114.272 1.212 . . . . 10.0 114.272 -178.704 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -78.24 -21.51 49.83 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 113.417 0.895 . . . . 10.0 113.417 -178.61 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 72' ' ' MET . . . . . 0.885 ' HA ' ' HZ ' ' B' ' 78' ' ' PHE . 59.1 mtt -74.51 -40.3 61.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.908 0.385 . . . . 10.0 111.353 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 87.5 mtt180 -72.4 -28.41 62.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.913 0.387 . . . . 10.0 110.803 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 9.1 m -86.04 -42.88 13.58 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.046 -0.525 . . . . 10.0 112.007 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -66.68 143.2 43.42 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 121.256 -0.497 . . . . 10.0 112.846 -179.355 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -104.26 -38.99 6.66 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.233 0.539 . . . . 10.0 110.35 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -116.48 131.55 9.61 Favored Glycine 0 N--CA 1.447 -0.604 0 N-CA-C 111.21 -0.756 . . . . 10.0 111.21 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 78' ' ' PHE . . . . . 0.885 ' HZ ' ' HA ' ' B' ' 72' ' ' MET . 66.9 m-85 -113.72 125.78 54.5 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.115 0.483 . . . . 10.0 111.562 -179.675 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.575 HD12 ' HB ' ' B' ' 112' ' ' VAL . 14.7 tp -104.39 115.11 29.8 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.683 -0.689 . . . . 10.0 109.347 179.614 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 80' ' ' CYS . . . . . 0.692 ' HB3' HD12 ' B' ' 93' ' ' ILE . 14.5 m -92.78 97.6 10.87 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.803 0.335 . . . . 10.0 110.264 -179.51 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 99.0 t -99.53 121.82 50.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.809 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 36.6 p90 -131.1 161.02 33.02 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.701 -0.681 . . . . 10.0 109.879 179.097 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.585 ' HB3' ' HB3' ' B' ' 86' ' ' ASN . . . -97.02 128.26 43.81 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.208 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 84' ' ' ILE . . . . . 0.477 ' CD1' ' HA ' ' B' ' 118' ' ' CYS . 18.9 pt -67.05 -12.76 15.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.053 0.454 . . . . 10.0 111.693 -179.758 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 85' ' ' ASN . . . . . 0.428 ' OD1' ' HB1' ' B' ' 83' ' ' ALA . 32.7 p-10 -105.6 13.79 29.41 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.971 -0.558 . . . . 10.0 110.894 179.615 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.585 ' HB3' ' HB3' ' B' ' 83' ' ' ALA . 23.7 t-20 -140.98 101.94 4.15 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 115.497 -0.774 . . . . 10.0 109.897 179.355 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.75 -18.85 65.02 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.523 0.564 . . . . 10.0 112.523 -179.035 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -61.18 -49.31 77.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.61 0.243 . . . . 10.0 111.2 -179.692 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 89' ' ' SER . . . . . 0.584 ' O ' HG12 ' B' ' 93' ' ' ILE . 2.5 p -63.53 -39.03 93.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.397 -0.365 . . . . 10.0 111.108 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 90' ' ' PHE . . . . . 0.433 ' CZ ' ' HA ' ' B' ' 130' ' ' ALA . 38.9 t80 -62.31 -36.06 80.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.364 -0.38 . . . . 10.0 111.279 179.725 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -73.86 -38.83 64.35 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.715 179.409 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.05 -21.28 64.1 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.018 -0.537 . . . . 10.0 112.309 -179.461 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 93' ' ' ILE . . . . . 0.692 HD12 ' HB3' ' B' ' 80' ' ' CYS . 23.5 mm -55.23 -40.51 56.39 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 CA-C-N 116.165 -0.471 . . . . 10.0 110.684 179.488 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -66.49 -41.04 89.53 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.925 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 66.3 m80 -64.73 -44.81 88.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.011 -0.541 . . . . 10.0 110.99 -179.459 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -59.88 -44.6 94.09 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.154 -0.476 . . . . 10.0 111.263 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -60.32 -49.09 78.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.044 -0.525 . . . . 10.0 111.813 -179.276 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -66.24 -27.46 67.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.796 0.331 . . . . 10.0 111.567 -179.517 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -75.56 -47.31 27.33 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.522 -0.308 . . . . 10.0 110.463 179.614 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 100' ' ' ILE . . . . . 0.402 HG12 ' HE2' ' B' ' 72' ' ' MET . 93.9 mt -58.22 -41.4 80.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-N 116.066 -0.515 . . . . 10.0 111.31 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 101' ' ' LYS . . . . . 0.49 ' HD2' ' HA ' ' B' ' 107' ' ' GLU . 32.0 mtmt -60.69 -26.32 67.03 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.563 0.579 . . . . 10.0 112.563 -179.595 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 8.5 ttm180 -83.97 -36.75 23.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.151 0.5 . . . . 10.0 110.201 179.581 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 103' ' ' VAL . . . . . 0.504 HG11 ' HA ' ' B' ' 69' ' ' ASP . 91.1 t -71.68 -46.71 60.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.406 -0.815 . . . . 10.0 111.547 -179.684 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 104' ' ' LYS . . . . . 0.427 ' HD2' ' HE2' ' B' ' 78' ' ' PHE . 30.7 mtpp -86.81 -8.68 57.11 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.923 0.342 . . . . 10.0 111.923 -179.218 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 31.3 t0 54.34 71.16 0.54 Allowed 'General case' 0 N--CA 1.468 0.449 0 O-C-N 123.736 0.647 . . . . 10.0 112.083 -179.521 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 28.8 t -175.29 132.82 0.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.669 -0.696 . . . . 10.0 109.737 179.634 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 107' ' ' GLU . . . . . 0.49 ' HA ' ' HD2' ' B' ' 101' ' ' LYS . 38.7 tp10 -80.1 -19.41 47.47 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.336 -0.616 . . . . 10.0 109.336 179.048 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -114.88 120.7 40.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.949 -0.569 . . . . 10.0 111.196 -179.683 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -149.27 149.15 28.62 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 115.938 -0.573 . . . . 10.0 110.892 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -66.65 115.17 3.41 Favored 'Trans proline' 0 C--O 1.236 0.388 0 C-N-CA 122.518 2.145 . . . . 10.0 110.989 178.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 11.1 ttm -145.61 144.71 30.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.743 -0.208 . . . . 10.0 110.552 -179.564 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 112' ' ' VAL . . . . . 0.575 ' HB ' HD12 ' B' ' 79' ' ' LEU . 82.3 t -127.97 128.32 68.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.79 -0.448 . . . . 10.0 109.79 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 113' ' ' LEU . . . . . 0.43 HD12 ' HB2' ' B' ' 80' ' ' CYS . 18.6 tp -92.59 123.79 36.14 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.068 -0.716 . . . . 10.0 109.068 179.341 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 71.7 t -127.01 125.19 66.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.029 0.442 . . . . 10.0 112.114 -178.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -99.25 118.37 6.16 Favored Glycine 0 N--CA 1.445 -0.719 0 N-CA-C 109.242 -1.543 . . . . 10.0 109.242 178.052 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -99.23 167.95 10.35 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.905 0.352 . . . . 10.0 111.813 -178.475 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 94.5 mttt 66.09 32.01 8.5 Favored 'General case' 0 C--O 1.235 0.3 0 O-C-N 123.725 0.64 . . . . 10.0 111.399 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 118' ' ' CYS . . . . . 0.477 ' HA ' ' CD1' ' B' ' 84' ' ' ILE . 78.0 m -72.69 5.07 3.37 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 113.825 1.046 . . . . 10.0 113.825 -178.862 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -112.08 7.24 19.63 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.227 0.537 . . . . 10.0 110.481 178.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 120' ' ' LEU . . . . . 0.467 ' HA ' ' HD3' ' B' ' 121' ' ' PRO . 51.0 mt -95.35 139.0 21.81 Favored Pre-proline 0 C--O 1.236 0.394 0 CA-C-N 115.846 -0.616 . . . . 10.0 110.019 179.32 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 121' ' ' PRO . . . . . 0.467 ' HD3' ' HA ' ' B' ' 120' ' ' LEU . 8.2 Cg_exo -72.27 156.08 55.41 Favored 'Trans proline' 0 C--O 1.237 0.449 0 C-N-CA 123.06 2.507 . . . . 10.0 112.88 -178.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 4.3 m 54.7 77.21 0.21 Allowed 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.209 -0.905 . . . . 10.0 112.66 179.279 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 123' ' ' ARG . . . . . 0.447 ' HD2' ' HA ' ' B' ' 126' ' ' ASP . 2.7 ptp180 -90.2 165.16 14.1 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.124 -0.489 . . . . 10.0 109.966 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -105.33 -45.94 4.35 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.882 0.373 . . . . 10.0 111.095 178.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 63.6 t -92.97 107.89 19.68 Favored 'Isoleucine or valine' 0 C--O 1.238 0.473 0 CA-C-O 120.963 0.411 . . . . 10.0 110.57 179.24 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 126' ' ' ASP . . . . . 0.447 ' HA ' ' HD2' ' B' ' 123' ' ' ARG . 17.3 t70 -71.32 148.29 47.23 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.777 -0.647 . . . . 10.0 109.515 179.044 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 2.0 m -53.64 -40.2 65.64 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.125 0.417 . . . . 10.0 112.125 -179.349 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 128' ' ' LYS . . . . . 0.769 ' HD2' ' H ' ' C' ' 47' ' ' ASP . 36.9 mtmm -57.92 -50.21 74.13 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.467 0.543 . . . . 10.0 112.467 -178.586 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -70.33 -23.27 62.8 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.93 0.395 . . . . 10.0 111.339 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 130' ' ' ALA . . . . . 0.433 ' HA ' ' CZ ' ' B' ' 90' ' ' PHE . . . -73.09 -45.4 57.39 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.229 -0.656 . . . . 10.0 109.229 178.47 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 131' ' ' GLN . . . . . 0.624 ' HG3' ' HD2' ' B' ' 141' ' ' PHE . 17.8 mt-30 -68.71 -33.16 73.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.53 -0.759 . . . . 10.0 109.193 178.49 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -61.73 -41.85 98.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.449 -0.796 . . . . 10.0 110.321 178.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 23.6 tp -69.15 -35.7 76.62 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.01 0.433 . . . . 10.0 110.915 179.702 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.08 -20.94 66.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.789 -0.641 . . . . 10.0 111.772 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 135' ' ' ARG . . . . . 0.492 ' HD3' ' HG3' ' C' ' 161' ' ' ARG . 42.8 mtm105 -64.7 -36.83 85.53 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-O 120.814 0.34 . . . . 10.0 111.254 -179.675 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 2.0 m -69.67 -22.18 63.46 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.133 -0.485 . . . . 10.0 111.25 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 137' ' ' TYR . . . . . 0.439 ' HB2' HG12 ' B' ' 139' ' ' ILE . 11.6 m-85 -93.19 -39.46 11.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.515 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 84.91 37.27 10.33 Favored Glycine 0 N--CA 1.449 -0.498 0 N-CA-C 110.64 -0.984 . . . . 10.0 110.64 -179.195 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 139' ' ' ILE . . . . . 0.439 HG12 ' HB2' ' B' ' 137' ' ' TYR . 25.2 pt -125.12 157.89 65.47 Favored Pre-proline 0 C--N 1.324 -0.511 0 N-CA-C 109.913 -0.402 . . . . 10.0 109.913 -179.629 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 140' ' ' PRO . . . . . 0.429 ' HD2' ' HB ' ' B' ' 139' ' ' ILE . 72.5 Cg_endo -77.94 144.95 21.95 Favored 'Trans proline' 0 CA--C 1.531 0.35 0 C-N-CA 122.63 2.22 . . . . 10.0 112.606 -179.65 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 141' ' ' PHE . . . . . 0.624 ' HD2' ' HG3' ' B' ' 131' ' ' GLN . 46.1 t80 -131.22 134.96 46.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 10.0 109.849 179.423 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 142' ' ' ILE . . . . . 0.594 HD11 ' HA ' ' B' ' 155' ' ' ALA . 5.5 pt -138.78 150.47 23.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.422 -0.354 . . . . 10.0 111.152 179.672 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -84.6 137.25 33.4 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.934 -0.765 . . . . 10.0 108.934 178.616 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 15.6 m -140.46 156.07 46.48 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.134 0.492 . . . . 10.0 111.589 -178.719 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 3.2 t -145.68 116.79 7.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.592 -0.731 . . . . 10.0 109.066 178.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 146' ' ' ALA . . . . . 0.517 ' HB2' HD23 ' B' ' 19' ' ' LEU . . . -74.56 -26.11 59.73 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.749 0.309 . . . . 10.0 110.23 179.717 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -63.76 -44.03 94.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.912 -0.586 . . . . 10.0 110.218 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 32.2 p -91.71 -16.7 26.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.423 0.63 . . . . 10.0 110.067 179.176 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 13.9 ttt-85 68.27 24.33 7.47 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 114.824 -1.08 . . . . 10.0 111.024 -179.632 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -96.93 125.75 41.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.708 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 89.99 -8.62 79.49 Favored Glycine 0 N--CA 1.452 -0.244 0 CA-C-N 115.929 -0.578 . . . . 10.0 112.926 179.463 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 77.5 t -57.68 -58.11 7.54 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-O 120.704 0.288 . . . . 10.0 111.67 -179.353 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.8 -44.34 94.01 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.255 -0.429 . . . . 10.0 111.284 -179.175 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -59.37 -37.14 77.18 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.979 -0.555 . . . . 10.0 112.255 -178.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 155' ' ' ALA . . . . . 0.594 ' HA ' HD11 ' B' ' 142' ' ' ILE . . . -60.26 -45.26 93.92 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.139 0.495 . . . . 10.0 110.487 179.287 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -69.27 -39.19 78.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.758 -0.656 . . . . 10.0 110.822 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -59.54 -46.14 89.75 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.403 0.62 . . . . 10.0 110.689 179.13 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 27.9 m -60.12 -41.71 93.21 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.525 -0.762 . . . . 10.0 111.644 -179.144 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 159' ' ' LEU . . . . . 0.446 HD22 ' HB2' ' B' ' 79' ' ' LEU . 23.3 tp -61.48 -38.42 87.19 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 120.9 0.381 . . . . 10.0 111.567 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 89.5 t -66.44 -41.65 89.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.265 0.555 . . . . 10.0 109.783 179.398 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 1.9 tpp180 -63.47 -35.46 80.51 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 115.251 -0.886 . . . . 10.0 110.12 179.315 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -65.47 -38.45 89.83 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.869 -0.605 . . . . 10.0 111.162 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 163' ' ' ILE . . . . . 0.4 HG13 ' O ' ' B' ' 159' ' ' LEU . 65.7 mt -65.34 -43.99 94.82 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 N-CA-C 109.385 -0.598 . . . . 10.0 109.385 178.823 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 164' ' ' ARG . . . . . 0.441 HH12 ' HB2' ' B' ' 47' ' ' ASP . 97.5 mtt180 -65.55 -32.46 74.07 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.677 -0.692 . . . . 10.0 109.886 179.119 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 165' ' ' LYS . . . . . 0.649 ' HB2' ' HD3' ' C' ' 135' ' ' ARG . 3.9 tmmm? . . . . . 0 C--N 1.332 -0.178 0 N-CA-C 108.868 -0.79 . . . . 10.0 108.868 178.461 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.889 0.376 . . . . 10.0 110.962 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 2' ' ' THR . . . . . 0.44 ' HB ' ' CE2' ' C' ' 4' ' ' TYR . 0.2 OUTLIER -93.94 125.01 38.31 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.737 -179.92 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 3' ' ' GLU . . . . . 0.448 ' HG3' HD23 ' C' ' 52' ' ' LEU . 6.7 tt0 -90.66 136.89 32.77 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.46 -0.336 . . . . 10.0 110.202 179.39 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 4' ' ' TYR . . . . . 0.44 ' CE2' ' HB ' ' C' ' 2' ' ' THR . 99.6 m-85 -129.94 121.19 26.11 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.8 -0.444 . . . . 10.0 109.8 179.458 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 48.1 mttm -91.55 111.43 22.93 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.967 0.413 . . . . 10.0 110.856 -179.551 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 6' ' ' LEU . . . . . 0.658 ' HB2' HG12 ' C' ' 55' ' ' ILE . 34.7 mt -113.85 129.08 56.63 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.646 -0.706 . . . . 10.0 110.296 -179.569 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 46.2 t -115.06 118.32 58.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-O 121.113 0.482 . . . . 10.0 110.734 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 10.9 t -84.21 119.05 32.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.978 -0.556 . . . . 10.0 109.517 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 31.2 m -114.43 151.69 16.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 116.319 -0.4 . . . . 10.0 110.832 -179.182 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 163.19 179.69 37.84 Favored Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 111.434 -0.667 . . . . 10.0 111.434 -179.647 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -86.56 -166.09 1.46 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.185 0.517 . . . . 10.0 111.938 -179.696 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.6 132.74 33.82 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.864 -0.607 . . . . 10.0 111.837 -179.592 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 77.27 17.28 79.62 Favored Glycine 0 N--CA 1.45 -0.383 0 CA-C-N 115.603 -0.726 . . . . 10.0 113.955 178.312 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 14' ' ' VAL . . . . . 0.6 HG23 ' HG3' ' C' ' 16' ' ' LYS . 16.2 m -79.6 -32.44 14.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 122.287 -0.537 . . . . 10.0 111.727 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.83 32.01 3.47 Favored Glycine 0 C--N 1.33 0.199 0 C-N-CA 120.654 -0.784 . . . . 10.0 113.599 179.198 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 16' ' ' LYS . . . . . 0.6 ' HG3' HG23 ' C' ' 14' ' ' VAL . 6.8 mtmp? -68.95 -45.37 70.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.67 0.748 . . . . 10.0 109.749 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 14.7 m -73.22 -38.75 65.95 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.484 -0.78 . . . . 10.0 111.1 -179.531 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.5 -42.06 70.34 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 19' ' ' LEU . . . . . 0.492 HD22 HG22 ' C' ' 152' ' ' VAL . 87.1 mt -72.08 -43.97 64.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.895 179.341 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 20' ' ' THR . . . . . 0.4 ' O ' HG12 ' C' ' 24' ' ' ILE . 9.7 m -66.54 -43.48 85.0 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.274 0.472 . . . . 10.0 112.274 -179.026 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.04 -35.39 71.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.942 0.401 . . . . 10.0 110.659 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 22' ' ' GLN . . . . . 0.636 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 7.0 mm-40 -68.0 -31.17 70.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.272 0.558 . . . . 10.0 109.879 178.764 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 5.4 tp -78.46 -43.11 27.99 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.646 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 24' ' ' ILE . . . . . 0.439 HD13 ' HD2' ' C' ' 42' ' ' LYS . 47.7 mm -75.34 -68.1 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 113.158 0.799 . . . . 10.0 113.158 -178.531 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -91.42 -17.52 25.66 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 113.185 0.809 . . . . 10.0 113.185 -177.771 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 26' ' ' ASN . . . . . 0.636 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 39.2 m-80 71.86 47.43 0.32 Allowed 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 114.377 1.251 . . . . 10.0 114.377 178.305 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 15.5 p80 -146.52 155.1 42.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 122.287 -0.258 . . . . 10.0 111.463 178.261 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -93.26 120.23 33.31 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.925 -0.58 . . . . 10.0 110.614 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 3.4 m -92.13 97.6 7.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.135 0.493 . . . . 10.0 110.954 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -71.69 -20.95 61.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.993 -0.549 . . . . 10.0 109.947 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -87.53 124.03 33.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.708 -0.678 . . . . 10.0 109.596 179.451 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -74.82 133.42 41.91 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.857 -0.337 . . . . 10.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -119.59 117.68 32.62 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.736 179.56 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_exo -76.14 75.59 4.14 Favored 'Trans proline' 0 N--CA 1.461 -0.427 0 C-N-CA 122.97 2.446 . . . . 10.0 109.948 178.698 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 4.3 m -60.1 136.59 58.07 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.48 -0.782 . . . . 10.0 112.655 -179.017 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 43.0 mm -96.04 -48.58 12.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 108.202 -1.036 . . . . 10.0 108.202 178.462 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -171.63 102.67 0.19 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.768 -1.106 . . . . 10.0 108.656 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -118.45 148.35 42.67 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.517 0.199 . . . . 10.0 110.662 -179.089 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 39' ' ' SER . . . . . 0.515 ' HB2' ' NH1' ' C' ' 41' ' ' ARG . 40.1 p -131.37 129.53 41.46 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.7 0.286 . . . . 10.0 110.914 179.588 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -120.85 142.14 49.93 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 110.156 -0.313 . . . . 10.0 110.156 -179.255 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 41' ' ' ARG . . . . . 0.515 ' NH1' ' HB2' ' C' ' 39' ' ' SER . 2.0 mpp_? -117.6 136.32 53.37 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.457 -0.338 . . . . 10.0 110.54 179.761 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 42' ' ' LYS . . . . . 0.439 ' HD2' HD13 ' C' ' 24' ' ' ILE . 51.3 tttp -146.02 139.11 25.87 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.745 -0.207 . . . . 10.0 110.554 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -115.19 107.64 15.57 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.968 -0.382 . . . . 10.0 109.968 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 10.2 m -129.65 174.25 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.075 0.464 . . . . 10.0 111.589 -179.205 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 21.9 t -105.86 116.24 49.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.426 -0.583 . . . . 10.0 109.426 178.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 46' ' ' ILE . . . . . 0.543 HD13 HG21 ' C' ' 160' ' ' VAL . 39.9 mt -122.54 121.16 62.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.902 -179.258 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 47' ' ' ASP . . . . . 0.769 ' H ' ' HD2' ' B' ' 128' ' ' LYS . 5.7 m-20 61.34 31.31 19.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.445 -0.798 . . . . 10.0 111.954 179.058 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.58 8.02 83.64 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.843 -0.694 . . . . 10.0 113.385 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 49' ' ' GLU . . . . . 0.423 ' HB3' ' NH2' ' C' ' 164' ' ' ARG . 29.7 tt0 -125.97 132.41 52.06 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.877 0.338 . . . . 10.0 110.9 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 1.3 m -74.15 128.73 36.3 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.367 -0.975 . . . . 10.0 108.367 178.67 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 51' ' ' CYS . . . . . 0.405 ' HB3' ' CD2' ' C' ' 4' ' ' TYR . 0.8 OUTLIER -130.79 149.66 52.32 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.256 0.55 . . . . 10.0 112.474 -178.155 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 52' ' ' LEU . . . . . 0.448 HD23 ' HG3' ' C' ' 3' ' ' GLU . 32.2 tp -106.52 102.4 11.79 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.191 -1.04 . . . . 10.0 108.191 178.023 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 83.6 mt -83.98 116.42 22.81 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.982 -0.553 . . . . 10.0 112.298 -178.005 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -106.5 91.24 3.61 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.024 -1.102 . . . . 10.0 108.024 178.223 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 55' ' ' ILE . . . . . 0.658 HG12 ' HB2' ' C' ' 6' ' ' LEU . 70.4 mt -101.62 131.69 48.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.444 -0.798 . . . . 10.0 112.051 -177.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 1.5 tt -114.8 135.45 54.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.837 -0.62 . . . . 10.0 110.004 179.392 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -95.91 116.06 28.36 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.897 -0.592 . . . . 10.0 110.206 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 49.0 p -85.5 171.45 11.75 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.442 -0.799 . . . . 10.0 111.268 -179.108 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -107.35 110.7 22.76 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.071 178.59 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -85.46 39.56 3.01 Favored Glycine 0 CA--C 1.507 -0.42 0 C-N-CA 120.763 -0.732 . . . . 10.0 112.129 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -98.68 6.82 46.73 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.509 0.195 . . . . 10.0 111.13 -179.585 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 62' ' ' GLU . . . . . 0.644 ' HG3' ' H ' ' C' ' 63' ' ' GLU . 4.3 tp10 63.57 -162.91 0.27 Allowed 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.0 -0.545 . . . . 10.0 110.368 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 63' ' ' GLU . . . . . 0.644 ' H ' ' HG3' ' C' ' 62' ' ' GLU . 2.7 tt0 72.61 -43.08 0.55 Allowed 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 113.459 0.911 . . . . 10.0 113.459 179.588 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 64' ' ' TYR . . . . . 0.625 ' HB3' ' HB3' ' C' ' 67' ' ' MET . 68.6 m-85 -79.27 71.76 5.81 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.634 0.605 . . . . 10.0 112.634 -179.142 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.51 -33.66 54.32 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.3 0.571 . . . . 10.0 110.616 179.705 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -77.89 -37.82 47.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.792 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 67' ' ' MET . . . . . 0.625 ' HB3' ' HB3' ' C' ' 64' ' ' TYR . 44.5 ttp -66.96 -22.41 65.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.943 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 68' ' ' ARG . . . . . 0.471 ' HA ' ' CZ ' ' C' ' 71' ' ' TYR . 2.6 ttp180 -63.92 -41.92 97.53 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.113 -0.494 . . . . 10.0 111.646 -179.039 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -60.19 -33.66 72.53 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 116.091 -0.504 . . . . 10.0 111.506 -179.297 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -55.47 -66.27 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 113.173 0.805 . . . . 10.0 113.173 -177.749 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 71' ' ' TYR . . . . . 0.471 ' CZ ' ' HA ' ' C' ' 68' ' ' ARG . 13.8 p90 -69.93 -16.31 63.2 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 113.892 1.071 . . . . 10.0 113.892 -178.31 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 72' ' ' MET . . . . . 0.688 ' HA ' ' HZ ' ' C' ' 78' ' ' PHE . 44.7 mtt -74.85 -28.85 60.84 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.971 0.415 . . . . 10.0 111.17 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 75.0 mtt180 -78.18 -35.65 48.47 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.986 -0.552 . . . . 10.0 111.58 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.45 -22.01 25.21 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.208 -0.451 . . . . 10.0 112.128 -179.349 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -80.13 128.75 8.67 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.507 -0.854 . . . . 10.0 113.137 -179.267 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -89.77 -33.97 16.35 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.867 -0.42 . . . . 10.0 109.867 179.384 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -132.42 145.84 17.65 Favored Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 111.191 -0.764 . . . . 10.0 111.191 179.491 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 78' ' ' PHE . . . . . 0.807 ' HB2' ' HG2' ' C' ' 111' ' ' MET . 96.6 m-85 -121.52 134.54 55.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.266 0.555 . . . . 10.0 111.907 -179.105 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 79' ' ' LEU . . . . . 0.551 HD12 ' HB ' ' C' ' 112' ' ' VAL . 8.0 tp -105.62 102.5 11.95 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.661 -0.699 . . . . 10.0 109.367 178.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 80' ' ' CYS . . . . . 0.683 ' HB3' HD12 ' C' ' 93' ' ' ILE . 11.0 m -82.3 93.16 7.09 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.801 -179.697 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 81' ' ' VAL . . . . . 0.438 HG22 ' HB ' ' C' ' 114' ' ' VAL . 48.3 t -98.37 123.16 50.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.258 0.551 . . . . 10.0 111.159 -179.722 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -128.41 160.23 32.9 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.626 -0.716 . . . . 10.0 109.663 178.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 83' ' ' ALA . . . . . 0.43 ' HB1' ' OD1' ' C' ' 85' ' ' ASN . . . -99.1 127.02 44.97 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.999 -0.371 . . . . 10.0 109.999 -179.575 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 84' ' ' ILE . . . . . 0.659 ' CD1' ' HA ' ' C' ' 118' ' ' CYS . 24.8 pt -65.41 -18.1 23.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.286 -0.415 . . . . 10.0 111.702 -179.563 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 85' ' ' ASN . . . . . 0.43 ' OD1' ' HB1' ' C' ' 83' ' ' ALA . 11.7 p-10 -92.41 4.15 54.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.731 -0.668 . . . . 10.0 110.638 179.54 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -135.27 98.74 4.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.796 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -58.14 -36.01 72.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.739 -0.664 . . . . 10.0 112.133 -179.281 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -59.63 -39.92 85.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 10.0 112.038 -179.534 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 96.6 p -66.01 -24.69 66.81 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.973 0.416 . . . . 10.0 111.64 -179.321 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -74.9 -38.22 61.89 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.51 -0.552 . . . . 10.0 109.51 179.214 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -72.76 -33.35 66.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.679 -0.691 . . . . 10.0 110.291 179.323 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -58.23 -32.79 68.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.203 179.405 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 93' ' ' ILE . . . . . 0.683 HD12 ' HB3' ' C' ' 80' ' ' CYS . 47.1 mm -59.72 -40.8 83.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.001 -0.545 . . . . 10.0 111.26 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -59.84 -48.88 79.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.629 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -65.21 -37.81 88.46 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.719 -0.673 . . . . 10.0 111.151 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 6.8 m-30 -63.93 -45.28 89.93 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.029 -0.532 . . . . 10.0 111.191 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 97' ' ' ARG . . . . . 0.571 ' O ' ' HG3' ' C' ' 101' ' ' LYS . 20.1 ttt-85 -62.68 -42.97 99.91 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.674 -0.239 . . . . 10.0 111.193 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -58.58 -30.91 67.55 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 116.317 -0.402 . . . . 10.0 111.486 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -80.64 -39.86 26.63 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.393 -0.367 . . . . 10.0 110.578 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 96.7 mt -55.1 -44.79 75.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.057 179.667 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 101' ' ' LYS . . . . . 0.571 ' HG3' ' O ' ' C' ' 97' ' ' ARG . 18.9 mtmt -62.79 -30.53 71.53 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.41 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 26.6 ttm180 -77.05 -44.47 30.64 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.147 -0.478 . . . . 10.0 111.226 -179.115 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 25.0 t -69.63 -45.12 78.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.215 -0.448 . . . . 10.0 111.541 -179.408 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 104' ' ' LYS . . . . . 0.545 ' HD2' ' HE2' ' C' ' 78' ' ' PHE . 18.8 mtpp -82.64 -10.19 59.05 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.386 -0.37 . . . . 10.0 111.288 -179.558 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 21.7 t70 56.95 42.14 26.7 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.363 0.602 . . . . 10.0 111.448 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 17.0 m -153.39 133.23 13.16 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.679 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -74.81 -32.99 62.13 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.617 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -102.81 103.18 13.36 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.309 -0.405 . . . . 10.0 111.545 -179.499 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 45.5 t -129.9 135.01 26.83 Favored Pre-proline 0 C--N 1.328 -0.344 0 N-CA-C 108.899 -0.778 . . . . 10.0 108.899 179.522 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -58.8 108.42 0.41 Allowed 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.736 2.291 . . . . 10.0 112.233 179.674 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 111' ' ' MET . . . . . 0.807 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 53.6 mtm -137.05 152.84 50.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.807 -0.633 . . . . 10.0 110.192 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 112' ' ' VAL . . . . . 0.551 ' HB ' HD12 ' C' ' 79' ' ' LEU . 94.4 t -131.17 133.0 63.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 110.207 -0.294 . . . . 10.0 110.207 179.301 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 113' ' ' LEU . . . . . 0.401 ' O ' ' HA ' ' C' ' 141' ' ' PHE . 21.7 tp -91.55 122.95 34.59 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.364 -0.606 . . . . 10.0 109.364 179.472 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 114' ' ' VAL . . . . . 0.438 ' HB ' HG22 ' C' ' 81' ' ' VAL . 61.8 t -122.71 125.82 73.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-O 121.046 0.451 . . . . 10.0 111.453 -178.448 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -102.27 102.33 2.29 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 109.942 -1.263 . . . . 10.0 109.942 178.729 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -87.18 163.91 16.66 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.231 0.456 . . . . 10.0 112.231 -177.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 117' ' ' LYS . . . . . 0.562 ' HB3' HD12 ' C' ' 120' ' ' LEU . 86.8 mttt 64.01 30.25 14.1 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.243 -0.89 . . . . 10.0 111.989 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 118' ' ' CYS . . . . . 0.659 ' HA ' ' CD1' ' C' ' 84' ' ' ILE . 1.3 m -69.51 -6.48 30.89 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 112.893 0.701 . . . . 10.0 112.893 -179.624 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -94.48 -5.21 46.66 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 120.741 -0.384 . . . . 10.0 110.245 178.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 120' ' ' LEU . . . . . 0.562 HD12 ' HB3' ' C' ' 117' ' ' LYS . 35.1 mt -82.65 138.94 43.82 Favored Pre-proline 0 C--O 1.234 0.252 0 N-CA-C 109.413 -0.588 . . . . 10.0 109.413 178.423 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -71.48 158.44 53.97 Favored 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 122.498 2.132 . . . . 10.0 113.162 -179.386 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 35.3 m 56.04 76.24 0.29 Allowed 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.126 -0.943 . . . . 10.0 113.189 179.267 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 123' ' ' ARG . . . . . 0.547 ' HB3' HD12 ' C' ' 84' ' ' ILE . 17.1 ptp180 -85.94 138.1 32.25 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.541 -0.3 . . . . 10.0 110.493 179.463 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -86.22 -33.37 20.77 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.096 0.474 . . . . 10.0 110.576 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 57.6 t -98.56 117.53 43.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.035 -0.529 . . . . 10.0 110.115 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -75.81 159.0 31.47 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.6 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.52 -44.72 70.45 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.321 -0.4 . . . . 10.0 110.758 -179.315 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 128' ' ' LYS . . . . . 0.41 ' HG3' ' H ' ' C' ' 129' ' ' GLN . 9.8 pttm -53.6 -52.62 59.22 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.737 -0.665 . . . . 10.0 112.624 -179.548 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 129' ' ' GLN . . . . . 0.41 ' H ' ' HG3' ' C' ' 128' ' ' LYS . 3.6 pt20 -62.13 -36.39 81.64 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.249 0.462 . . . . 10.0 112.249 -178.752 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -73.63 -43.1 60.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.153 0.501 . . . . 10.0 110.335 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 131' ' ' GLN . . . . . 0.465 ' HG3' ' HD2' ' C' ' 141' ' ' PHE . 3.2 mt-30 -66.08 -40.02 90.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.578 -0.737 . . . . 10.0 111.931 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -66.22 -41.12 90.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.753 0.311 . . . . 10.0 110.431 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 22.4 tp -62.53 -41.48 98.89 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.985 -0.746 . . . . 10.0 108.985 178.576 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -67.07 -35.04 78.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.711 -0.677 . . . . 10.0 109.636 178.643 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 135' ' ' ARG . . . . . 0.649 ' HD3' ' HB2' ' B' ' 165' ' ' LYS . 6.5 tmm_? -65.47 -43.4 90.4 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.4 -0.818 . . . . 10.0 110.37 179.301 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 18.2 m -58.67 -39.41 80.59 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.314 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -83.56 -33.89 25.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.081 -0.509 . . . . 10.0 111.043 -179.334 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 102.16 30.39 5.71 Favored Glycine 0 N--CA 1.454 -0.137 0 C-N-CA 120.913 -0.661 . . . . 10.0 112.705 179.314 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 49.1 pt -117.03 154.04 49.7 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-O 120.631 0.253 . . . . 10.0 110.839 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -80.16 155.19 22.45 Favored 'Trans proline' 0 CA--C 1.534 0.508 0 C-N-CA 122.551 2.168 . . . . 10.0 112.283 179.552 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 141' ' ' PHE . . . . . 0.465 ' HD2' ' HG3' ' C' ' 131' ' ' GLN . 39.7 t80 -126.85 124.33 39.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.48 179.527 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 50.2 mt -127.19 133.95 67.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.301 -0.409 . . . . 10.0 110.364 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -90.46 127.21 36.15 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.174 -0.676 . . . . 10.0 109.174 178.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 81.1 p -127.74 -178.68 4.59 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.565 0.698 . . . . 10.0 112.262 -178.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 1.9 t -170.5 126.33 0.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.805 -1.089 . . . . 10.0 108.824 178.72 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -66.93 -26.07 66.67 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.441 -0.345 . . . . 10.0 111.657 -178.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -80.21 -40.38 27.26 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 112.25 0.463 . . . . 10.0 112.25 -179.328 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 31.9 p -84.94 -23.36 28.84 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.38 0.511 . . . . 10.0 112.38 -178.743 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 149' ' ' ARG . . . . . 0.466 ' O ' ' HG3' ' C' ' 149' ' ' ARG . 13.0 tpt180 68.21 22.86 8.04 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 121.778 0.799 . . . . 10.0 110.1 -179.275 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -91.88 128.97 37.92 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.762 -0.654 . . . . 10.0 111.231 -179.523 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 72.59 -3.52 25.35 Favored Glycine 0 C--N 1.333 0.365 0 CA-C-N 115.891 -0.595 . . . . 10.0 114.307 178.17 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 152' ' ' VAL . . . . . 0.492 HG22 HD22 ' C' ' 19' ' ' LEU . 61.0 t -60.16 -51.82 68.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 111.971 0.36 . . . . 10.0 111.971 -178.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.0 -42.14 76.86 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.376 -179.231 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -67.06 -33.36 75.35 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.611 0.597 . . . . 10.0 112.611 -178.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -56.97 -47.2 81.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.947 0.403 . . . . 10.0 110.637 179.428 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -68.89 -39.54 79.68 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.62 179.496 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 3.8 m-30 -64.64 -37.14 86.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.914 -0.585 . . . . 10.0 111.243 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 97.3 m -62.38 -34.96 77.72 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.033 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 159' ' ' LEU . . . . . 0.509 ' HG ' HD22 ' C' ' 6' ' ' LEU . 12.5 tp -64.71 -30.78 71.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.469 0.652 . . . . 10.0 109.625 178.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 160' ' ' VAL . . . . . 0.543 HG21 HD13 ' C' ' 46' ' ' ILE . 21.8 t -73.34 -39.91 56.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.076 -0.713 . . . . 10.0 109.076 178.508 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 161' ' ' ARG . . . . . 0.492 ' HG3' ' HD3' ' B' ' 135' ' ' ARG . 0.7 OUTLIER -61.73 -46.28 90.31 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 115.715 -0.675 . . . . 10.0 110.196 179.217 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -62.38 -41.14 98.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.924 -0.58 . . . . 10.0 111.326 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 18.9 mt -62.22 -44.55 99.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.203 0.525 . . . . 10.0 109.835 178.803 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 164' ' ' ARG . . . . . 0.423 ' NH2' ' HB3' ' C' ' 49' ' ' GLU . 80.4 mtt180 -65.24 -40.75 94.47 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.719 -0.673 . . . . 10.0 110.431 179.058 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 20.4 ttpt -65.76 -43.04 90.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.508 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 29.3 t-80 -59.78 -56.37 22.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.954 -0.567 . . . . 10.0 110.879 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 10.0 111.984 -179.052 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 9.2 tmtm? . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.949 0.404 . . . . 10.0 111.349 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 95.5 mt -67.76 -38.39 83.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.755 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 51.2 mt -65.34 -43.59 90.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.166 0.508 . . . . 10.0 111.209 -179.696 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -61.72 -39.61 92.12 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.826 -0.625 . . . . 10.0 111.17 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -78.95 -22.54 45.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.112 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 81.8 t90 -71.83 -40.03 69.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.198 179.462 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -61.8 -35.26 77.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.406 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.68 -45.37 94.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.873 -0.603 . . . . 10.0 110.225 179.327 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 39.1 t -66.92 -39.38 83.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.371 -0.603 . . . . 10.0 109.371 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 31.3 m -60.98 -46.53 90.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.655 -0.702 . . . . 10.0 110.943 179.209 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 2.4 p -68.58 -28.28 66.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.025 0.441 . . . . 10.0 110.65 179.239 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 94.0 m -67.3 -43.43 81.71 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 108.625 -0.879 . . . . 10.0 108.625 177.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -60.32 -43.63 96.2 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 115.732 -0.667 . . . . 10.0 110.111 178.589 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 215' ' ' SER . . . . . 0.532 ' O ' ' HG3' ' A' ' 219' ' ' GLU . 12.9 m -56.03 -54.1 48.94 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.78 179.326 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 22.5 mmtp -61.31 -40.74 95.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.352 -0.385 . . . . 10.0 111.668 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 67.6 mt -65.86 -35.41 80.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.348 -0.387 . . . . 10.0 111.055 179.629 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 55.7 mtt180 -73.48 -35.1 65.63 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 116.645 -0.252 . . . . 10.0 110.951 179.348 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 219' ' ' GLU . . . . . 0.532 ' HG3' ' O ' ' A' ' 215' ' ' SER . 33.9 mt-10 -65.64 -34.17 77.6 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.498 -0.927 . . . . 10.0 108.498 178.046 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 220' ' ' GLN . . . . . 0.437 ' O ' HG23 ' A' ' 224' ' ' VAL . 7.7 tp-100 -77.91 -30.83 50.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.326 -0.852 . . . . 10.0 109.881 179.004 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 10.6 mt -56.24 -34.62 66.51 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.883 -0.599 . . . . 10.0 111.323 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -56.41 -69.79 1.17 Allowed Glycine 0 C--N 1.333 0.384 0 N-CA-C 111.01 -0.836 . . . . 10.0 111.01 178.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -51.91 -40.92 65.85 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.697 2.264 . . . . 10.0 111.534 177.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 224' ' ' VAL . . . . . 0.649 HG22 ' HD3' ' D' ' 550' ' ' LYS . 56.1 t -55.98 -56.1 14.65 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 O-C-N 123.069 0.231 . . . . 10.0 111.152 179.292 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 225' ' ' THR . . . . . 0.427 ' O ' ' HB2' ' A' ' 229' ' ' TRP . 9.2 p -63.57 -38.33 90.72 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 120.929 -0.308 . . . . 10.0 110.923 -179.706 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -61.78 -47.29 85.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.375 -0.375 . . . . 10.0 111.047 179.265 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -70.71 -40.89 72.56 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 120.97 0.414 . . . . 10.0 110.877 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -64.25 -44.99 90.09 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.893 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 229' ' ' TRP . . . . . 0.427 ' HB2' ' O ' ' A' ' 225' ' ' THR . 1.1 m-90 -67.19 -34.57 77.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.423 179.369 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -62.25 -50.85 70.1 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.821 -0.437 . . . . 10.0 109.821 178.503 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 231' ' ' ASN . . . . . 0.586 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 43.7 m-80 -63.77 -35.4 80.48 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.185 -0.672 . . . . 10.0 109.185 178.598 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 6.0 mt -62.65 -40.08 95.9 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.675 -0.693 . . . . 10.0 109.917 178.632 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -63.59 -41.26 98.35 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-N 116.122 -0.49 . . . . 10.0 109.907 179.068 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 234' ' ' LYS . . . . . 0.586 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 66.6 mttt -64.99 -41.97 94.93 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.254 -0.647 . . . . 10.0 109.254 178.622 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.54 -48.08 83.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.081 -0.963 . . . . 10.0 110.051 178.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 236' ' ' THR . . . . . 0.481 ' O ' ' HG3' ' A' ' 240' ' ' ARG . 1.0 OUTLIER -70.57 -34.49 72.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.077 -0.511 . . . . 10.0 111.146 179.558 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -61.03 -43.62 98.62 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.261 -0.644 . . . . 10.0 109.261 178.367 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -61.68 -42.29 99.73 Favored Glycine 0 N--CA 1.448 -0.549 0 N-CA-C 109.975 -1.25 . . . . 10.0 109.975 178.096 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 94.0 mt -65.37 -33.64 76.43 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-O 120.762 0.315 . . . . 10.0 110.692 178.76 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 240' ' ' ARG . . . . . 0.481 ' HG3' ' O ' ' A' ' 236' ' ' THR . 42.1 mtt180 -67.89 -46.73 70.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.981 0.42 . . . . 10.0 110.279 178.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -65.62 -41.19 92.98 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 121.451 0.644 . . . . 10.0 109.292 179.236 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -70.32 -20.73 62.98 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.45 -0.796 . . . . 10.0 111.003 179.454 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 37.3 ttm -62.76 -30.65 71.6 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.967 -0.753 . . . . 10.0 108.967 178.811 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 244' ' ' SER . . . . . 0.89 ' HA ' ' HG3' ' A' ' 248' ' ' GLU . 19.0 m -73.69 1.56 10.02 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.434 -0.803 . . . . 10.0 110.337 178.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -124.25 -62.91 1.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.734 -0.667 . . . . 10.0 109.279 178.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 246' ' ' ASP . . . . . 0.672 ' HA ' ' CZ ' ' D' ' 528' ' ' ARG . 7.9 t70 -50.37 -49.72 53.47 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.442 -0.799 . . . . 10.0 112.616 -178.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 247' ' ' LEU . . . . . 0.502 ' O ' HG12 ' A' ' 250' ' ' VAL . 35.5 mt -91.01 -38.61 12.71 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.664 0.616 . . . . 10.0 112.664 -179.267 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 248' ' ' GLU . . . . . 0.89 ' HG3' ' HA ' ' A' ' 244' ' ' SER . 3.2 mm-40 -65.29 -45.06 85.94 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 111.934 0.346 . . . . 10.0 111.934 -179.121 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -69.66 -38.83 77.25 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 121.142 -0.223 . . . . 10.0 110.537 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 250' ' ' VAL . . . . . 0.621 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 2.8 p -63.46 -34.42 67.3 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.188 0 C-N-CA 120.968 -0.293 . . . . 10.0 111.011 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -80.97 -32.82 34.22 Favored 'General case' 0 N--CA 1.456 -0.144 0 CA-C-O 120.918 0.389 . . . . 10.0 110.761 179.127 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -69.27 -38.95 78.64 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.325 -0.62 . . . . 10.0 109.325 179.02 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -86.61 -16.89 35.32 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.72 -0.673 . . . . 10.0 111.105 179.14 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 254' ' ' VAL . . . . . 0.621 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.3 OUTLIER -61.93 -25.72 38.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.831 0.348 . . . . 10.0 110.654 179.702 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 255' ' ' GLN . . . . . 0.57 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 27.0 mt-30 -63.96 -64.48 2.81 Favored Pre-proline 0 N--CA 1.448 -0.539 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.337 179.099 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 256' ' ' PRO . . . . . 0.57 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 33.9 Cg_endo -66.57 -30.89 42.38 Favored 'Trans proline' 0 C--N 1.359 1.109 0 C-N-CA 121.85 1.7 . . . . 10.0 112.276 178.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 4.5 m-30 -63.52 -57.37 10.41 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.175 0.512 . . . . 10.0 110.406 179.603 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 55.9 mt -67.92 -34.19 76.14 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.762 -0.654 . . . . 10.0 111.262 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -64.59 -36.38 84.05 Favored 'General case' 0 CA--C 1.52 -0.178 0 O-C-N 123.211 0.319 . . . . 10.0 110.454 179.304 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -64.91 -52.62 55.44 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 121.292 0.568 . . . . 10.0 109.908 178.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 261' ' ' PHE . . . . . 0.402 ' O ' ' HB2' ' A' ' 265' ' ' TRP . 21.9 m-85 -64.09 -34.54 78.27 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.651 -0.704 . . . . 10.0 110.641 178.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -66.83 -46.82 73.92 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.806 -0.442 . . . . 10.0 109.806 178.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -61.42 -46.22 91.02 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.65 -0.704 . . . . 10.0 109.64 179.397 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 264' ' ' LYS . . . . . 0.738 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 55.4 mttt -66.1 -37.49 85.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.721 -0.672 . . . . 10.0 110.627 178.726 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 265' ' ' TRP . . . . . 0.402 ' HB2' ' O ' ' A' ' 261' ' ' PHE . 0.4 OUTLIER -62.4 -40.03 95.18 Favored 'General case' 0 CA--C 1.516 -0.363 0 N-CA-C 109.276 -0.639 . . . . 10.0 109.276 178.122 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -62.51 -39.39 93.36 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.671 -0.695 . . . . 10.0 109.38 178.449 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -68.72 -45.66 70.98 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.01 -0.541 . . . . 10.0 109.564 178.398 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 268' ' ' GLU . . . . . 0.439 ' O ' ' HB2' ' A' ' 272' ' ' TYR . 16.6 mt-10 -57.96 -48.03 81.16 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 115.975 -0.557 . . . . 10.0 109.829 179.142 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 59.7 mmm -64.23 -41.31 97.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.371 -0.832 . . . . 10.0 110.712 179.13 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -60.06 -49.22 78.52 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.04 179.649 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 59.5 mt -65.27 -43.43 91.25 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.621 -0.718 . . . . 10.0 110.006 179.211 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 272' ' ' TYR . . . . . 0.439 ' HB2' ' O ' ' A' ' 268' ' ' GLU . 0.4 OUTLIER -57.91 -43.49 86.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.657 179.681 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 273' ' ' ARG . . . . . 0.43 ' HA ' HG12 ' A' ' 276' ' ' VAL . 81.9 mtt180 -69.61 -42.85 73.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.099 -0.5 . . . . 10.0 110.34 178.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.78 -23.34 67.32 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.812 -0.631 . . . . 10.0 111.161 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 275' ' ' LYS . . . . . 0.937 ' HG2' HD21 ' D' ' 499' ' ' LEU . 12.1 mptt -94.53 -40.41 9.88 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 116.371 -0.377 . . . . 10.0 111.09 179.148 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 276' ' ' VAL . . . . . 0.43 HG12 ' HA ' ' A' ' 273' ' ' ARG . 3.2 p -56.86 -28.13 27.74 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 N-CA-C 112.573 0.582 . . . . 10.0 112.573 -179.211 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 277' ' ' GLU . . . . . 0.54 ' HB2' ' HD3' ' A' ' 278' ' ' PRO . 2.7 mt-10 -68.16 -63.13 2.62 Favored Pre-proline 0 CA--C 1.537 0.457 0 N-CA-C 111.881 0.326 . . . . 10.0 111.881 179.74 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 278' ' ' PRO . . . . . 0.54 ' HD3' ' HB2' ' A' ' 277' ' ' GLU . 42.9 Cg_endo -69.17 -39.04 8.19 Favored 'Trans proline' 0 C--N 1.353 0.799 0 C-N-CA 121.913 1.742 . . . . 10.0 112.783 179.246 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 279' ' ' LEU . . . . . 0.536 ' HB3' ' HE3' ' D' ' 495' ' ' LYS . 40.4 mt -62.27 -46.02 90.69 Favored 'General case' 0 C--N 1.333 -0.136 0 N-CA-C 111.716 0.265 . . . . 10.0 111.716 -179.228 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 23.2 ttm180 -66.95 -32.02 72.98 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 179.015 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -63.27 -43.47 97.87 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.812 -0.81 . . . . 10.0 108.812 178.195 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -62.26 -42.18 99.1 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.123 -0.695 . . . . 10.0 109.123 178.077 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 283' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 279' ' ' LEU . 95.4 mt -64.24 -39.47 94.02 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.389 -0.823 . . . . 10.0 110.458 179.272 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -64.33 -53.75 43.79 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 120.905 0.384 . . . . 10.0 110.458 179.42 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -63.25 -36.75 84.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.893 -0.594 . . . . 10.0 110.376 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -68.64 -39.23 86.55 Favored Glycine 0 N--CA 1.445 -0.742 0 N-CA-C 110.392 -1.083 . . . . 10.0 110.392 178.532 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -65.11 -45.49 84.91 Favored 'General case' 0 CA--C 1.515 -0.379 0 N-CA-C 109.126 -0.694 . . . . 10.0 109.126 178.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 288' ' ' ARG . . . . . 0.429 ' O ' ' HB2' ' A' ' 292' ' ' HIS . 93.4 mtt180 -62.01 -34.53 76.37 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.782 -0.451 . . . . 10.0 109.782 179.084 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -68.4 -49.46 59.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.73 -0.668 . . . . 10.0 109.909 179.318 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -65.13 -45.11 86.4 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.838 -0.619 . . . . 10.0 110.748 179.558 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 69.0 mt -63.86 -31.19 72.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.193 179.162 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 292' ' ' HIS . . . . . 0.429 ' HB2' ' O ' ' A' ' 288' ' ' ARG . 0.2 OUTLIER -61.4 -55.49 30.9 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.993 -0.743 . . . . 10.0 108.993 178.606 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.38 -33.58 75.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.753 179.472 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 59.6 mt -66.0 -50.6 63.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.271 -0.422 . . . . 10.0 109.948 178.66 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -63.88 -31.06 72.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.972 0.415 . . . . 10.0 110.512 179.15 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -67.93 -10.34 52.55 Favored 'General case' 0 C--O 1.225 -0.185 0 CA-C-N 115.899 -0.592 . . . . 10.0 110.995 178.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 297' ' ' LYS . . . . . 0.5 ' HD3' ' HA ' ' A' ' 297' ' ' LYS . 16.7 mmtp -116.35 -26.83 7.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.242 178.346 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 48.0 mt -65.7 -38.92 90.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.38 -0.373 . . . . 10.0 111.282 179.451 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 299' ' ' SER . . . . . 0.448 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 19.4 m -72.98 -61.52 1.52 Allowed Pre-proline 0 C--N 1.324 -0.529 0 N-CA-C 113.015 0.746 . . . . 10.0 113.015 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 300' ' ' PRO . . . . . 0.448 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 32.4 Cg_endo -64.44 -53.74 0.99 Allowed 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 122.028 1.818 . . . . 10.0 112.944 -179.285 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 301' ' ' LEU . . . . . 0.498 ' HB2' ' O ' ' A' ' 297' ' ' LYS . 94.6 mt -67.98 -30.41 69.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.672 0.273 . . . . 10.0 110.708 -179.746 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -69.64 -44.52 63.11 Favored Glycine 0 N--CA 1.451 -0.364 0 N-CA-C 109.879 -1.289 . . . . 10.0 109.879 178.155 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -60.58 -43.71 97.02 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 108.509 -0.923 . . . . 10.0 108.509 178.307 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.26 -43.65 94.21 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.073 -0.967 . . . . 10.0 110.049 179.257 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 305' ' ' MET . . . . . 0.532 ' HB2' ' HE2' ' D' ' 473' ' ' LYS . 28.1 ttt -61.65 -35.62 78.46 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.082 0.468 . . . . 10.0 110.001 179.389 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -68.52 -38.73 81.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.959 -0.564 . . . . 10.0 109.796 178.775 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 307' ' ' ASP . . . . . 0.52 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 21.8 t70 -72.03 -38.82 69.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.942 -0.572 . . . . 10.0 109.904 179.006 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -64.47 -35.34 80.61 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.694 -0.854 . . . . 10.0 108.694 178.004 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -64.25 -33.52 75.99 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 115.603 -0.726 . . . . 10.0 109.08 178.39 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 310' ' ' ARG . . . . . 0.52 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 89.1 mtt180 -59.01 -49.98 75.83 Favored 'General case' 0 CA--C 1.519 -0.236 0 N-CA-C 109.118 -0.697 . . . . 10.0 109.118 178.286 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -67.58 -40.55 84.83 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.236 179.398 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -54.35 -51.79 63.63 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 115.766 -0.652 . . . . 10.0 109.925 178.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 61.6 t -75.7 -34.55 28.91 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.262 0 CA-C-N 115.757 -0.656 . . . . 10.0 111.541 -179.632 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 314' ' ' ASP . . . . . 0.446 ' HA ' ' CZ ' ' A' ' 317' ' ' ARG . 7.4 t70 -60.19 -47.89 84.05 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.968 0.413 . . . . 10.0 110.053 179.549 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -61.86 -37.81 85.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.748 -0.66 . . . . 10.0 109.552 178.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 32.4 mt -67.57 -46.06 73.75 Favored 'General case' 0 C--O 1.225 -0.211 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.204 178.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 317' ' ' ARG . . . . . 0.446 ' CZ ' ' HA ' ' A' ' 314' ' ' ASP . 18.4 mtm105 -59.25 -46.84 87.42 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 120.918 0.39 . . . . 10.0 110.534 179.44 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 2.9 m -67.05 -16.07 64.12 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 121.358 0.599 . . . . 10.0 111.366 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 6.8 m80 -96.04 -43.11 7.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.912 0.387 . . . . 10.0 110.496 179.175 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 91.7 mt -67.97 -32.5 72.96 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.858 -0.61 . . . . 10.0 111.688 -179.183 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -54.16 -60.57 7.16 Favored Pre-proline 0 CA--C 1.539 0.538 0 N-CA-C 112.255 0.465 . . . . 10.0 112.255 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -69.12 -33.21 19.56 Favored 'Trans proline' 0 C--N 1.352 0.732 0 C-N-CA 121.512 1.474 . . . . 10.0 111.409 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 6.5 m-30 -61.94 -50.17 73.22 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 116.244 -0.435 . . . . 10.0 111.081 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 29.1 p -65.95 -39.64 90.63 Favored 'General case' 0 C--O 1.233 0.2 0 O-C-N 123.324 0.39 . . . . 10.0 110.754 -179.618 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 325' ' ' ASP . . . . . 0.717 ' HA ' ' HD2' ' A' ' 328' ' ' ARG . 14.0 t0 -59.98 -44.32 94.55 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.966 179.813 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -78.89 -24.37 44.22 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.176 -0.465 . . . . 10.0 110.239 179.044 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 23.8 tp -65.17 -34.31 78.07 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 107.877 -1.157 . . . . 10.0 107.877 177.738 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 328' ' ' ARG . . . . . 0.717 ' HD2' ' HA ' ' A' ' 325' ' ' ASP . 73.2 mtt180 -62.58 -38.52 90.43 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 108.503 -0.925 . . . . 10.0 108.503 178.113 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -68.78 -42.99 76.64 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 115.459 -0.791 . . . . 10.0 109.196 178.807 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 330' ' ' ARG . . . . . 0.819 HH21 ' HB3' ' D' ' 447' ' ' GLU . 9.8 mtt-85 -59.58 -48.26 82.34 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-N 115.563 -0.744 . . . . 10.0 109.668 178.831 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 93.7 mt -61.38 -44.11 97.71 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.501 -0.772 . . . . 10.0 110.116 179.286 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -61.24 -44.45 97.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.496 . . . . 10.0 110.339 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -58.75 -44.65 90.62 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.91 0.385 . . . . 10.0 110.457 179.297 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 58.9 mtt-85 -66.94 -45.56 77.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.788 -0.642 . . . . 10.0 110.304 179.053 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 36.2 mt -60.92 -41.52 96.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.901 -0.59 . . . . 10.0 111.663 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -64.52 -45.24 88.05 Favored 'General case' 0 C--O 1.232 0.159 0 N-CA-C 109.778 -0.453 . . . . 10.0 109.778 179.007 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -63.05 -50.26 71.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.712 -0.677 . . . . 10.0 110.034 179.454 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 338' ' ' LEU . . . . . 0.468 ' O ' ' HA3' ' A' ' 342' ' ' GLY . 75.0 mt -66.94 -13.15 61.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.053 -0.521 . . . . 10.0 112.287 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 60.7 tttt -89.7 -48.2 7.43 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.857 -0.423 . . . . 10.0 109.857 178.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -69.91 -52.63 23.04 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.783 -0.451 . . . . 10.0 109.783 179.386 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -68.22 -36.52 79.64 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.135 -0.691 . . . . 10.0 109.135 178.681 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 342' ' ' GLY . . . . . 0.468 ' HA3' ' O ' ' A' ' 338' ' ' LEU . . . -64.96 -40.25 97.04 Favored Glycine 0 N--CA 1.443 -0.866 0 N-CA-C 110.975 -0.85 . . . . 10.0 110.975 179.159 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -63.81 -37.58 94.89 Favored Glycine 0 N--CA 1.451 -0.344 0 N-CA-C 110.216 -1.153 . . . . 10.0 110.216 178.688 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -65.98 -41.88 90.55 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 108.923 -0.769 . . . . 10.0 108.923 178.34 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 39.4 mtm180 -63.05 -43.91 97.34 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 115.72 -0.673 . . . . 10.0 109.982 178.519 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 54.0 mt -61.83 -45.3 94.4 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.67 179.366 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -63.1 -43.52 98.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.984 -0.553 . . . . 10.0 109.67 178.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 348' ' ' GLU . . . . . 0.586 ' HB3' ' HE2' ' A' ' 352' ' ' LYS . 22.8 mt-10 -62.62 -47.67 82.74 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 115.653 -0.703 . . . . 10.0 109.976 178.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -60.21 -32.28 70.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.384 -0.371 . . . . 10.0 110.743 179.394 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -62.9 -50.01 72.57 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.044 -0.724 . . . . 10.0 109.044 178.158 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -63.7 -44.19 94.4 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.586 -0.734 . . . . 10.0 110.185 179.459 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 352' ' ' LYS . . . . . 0.586 ' HE2' ' HB3' ' A' ' 348' ' ' GLU . 19.8 mttm -59.47 -47.26 86.16 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 123.527 0.517 . . . . 10.0 110.05 178.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 353' ' ' ALA . . . . . 0.484 ' O ' ' HG ' ' A' ' 357' ' ' LEU . . . -63.3 -34.62 78.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.565 179.77 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 72.0 m -63.22 -48.09 79.75 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 109.348 -0.612 . . . . 10.0 109.348 179.035 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -63.78 -35.17 79.72 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 109.774 -0.454 . . . . 10.0 109.774 179.006 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -64.56 -38.64 91.71 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.825 -0.625 . . . . 10.0 109.411 178.317 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 357' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 353' ' ' ALA . 92.4 mt -69.43 -38.24 77.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.037 -0.529 . . . . 10.0 109.995 179.079 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 11.8 m -61.9 -44.55 96.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.106 178.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 1.5 p -74.77 -27.06 60.17 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.012 -0.54 . . . . 10.0 110.175 179.192 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 26.9 tp -70.69 -30.14 66.63 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.14 -0.689 . . . . 10.0 109.14 178.336 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 21.8 m -66.66 -28.71 68.68 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.685 -0.689 . . . . 10.0 109.422 178.361 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 362' ' ' GLU . . . . . 0.426 ' O ' ' HD2' ' A' ' 366' ' ' PRO . 3.0 mm-40 -71.38 -22.29 61.9 Favored 'General case' 0 C--O 1.227 -0.117 0 N-CA-C 108.721 -0.844 . . . . 10.0 108.721 178.25 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 363' ' ' LYS . . . . . 0.671 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 94.5 mttt -93.13 -27.81 16.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.398 -0.819 . . . . 10.0 110.005 179.125 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 364' ' ' ALA . . . . . 0.451 ' O ' ' HB2' ' A' ' 368' ' ' LEU . . . -79.97 -41.41 25.99 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.515 -0.766 . . . . 10.0 111.83 -179.539 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 365' ' ' LYS . . . . . 1.061 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 78.0 mttt -92.27 -74.35 0.04 OUTLIER Pre-proline 0 C--N 1.322 -0.628 0 N-CA-C 112.944 0.72 . . . . 10.0 112.944 -179.686 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 366' ' ' PRO . . . . . 1.061 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 37.6 Cg_exo -61.61 -53.06 2.5 Favored 'Trans proline' 0 C--N 1.355 0.911 0 C-N-CA 122.456 2.104 . . . . 10.0 113.387 -178.494 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 367' ' ' ALA . . . . . 0.671 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -57.34 -51.81 67.89 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.215 0.45 . . . . 10.0 112.215 -179.092 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 368' ' ' LEU . . . . . 0.451 ' HB2' ' O ' ' A' ' 364' ' ' ALA . 16.5 mt -63.18 -37.42 87.14 Favored 'General case' 0 C--N 1.334 -0.081 0 C-N-CA 121.175 -0.21 . . . . 10.0 110.834 179.437 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -63.13 -52.81 61.06 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 110.167 -0.308 . . . . 10.0 110.167 178.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.66 -35.98 79.53 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.219 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 33.2 tp -66.17 -45.05 82.28 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.84 -0.618 . . . . 10.0 110.305 179.09 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 65.6 mtt180 -67.39 -36.89 82.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.825 0.345 . . . . 10.0 110.363 179.457 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -63.83 -20.99 66.22 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.182 178.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -98.8 -36.08 4.64 Favored Glycine 0 N--CA 1.443 -0.892 0 N-CA-C 111.406 -0.678 . . . . 10.0 111.406 179.156 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 20.3 mt -66.34 -40.23 89.7 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.61 0.226 . . . . 10.0 111.61 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 376' ' ' LEU . . . . . 0.585 ' O ' ' HG3' ' A' ' 380' ' ' GLU . 81.2 mt -52.65 -60.29 6.84 Favored Pre-proline 0 CA--C 1.533 0.313 0 N-CA-C 112.934 0.716 . . . . 10.0 112.934 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -60.68 -33.34 93.39 Favored 'Trans proline' 0 C--N 1.355 0.899 0 C-N-CA 122.073 1.849 . . . . 10.0 111.741 179.226 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 24.9 t -64.92 -43.13 96.29 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 N-CA-C 109.797 -0.446 . . . . 10.0 109.797 178.716 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 77.9 mt -61.85 -38.57 88.72 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.834 -0.621 . . . . 10.0 109.904 178.631 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 380' ' ' GLU . . . . . 0.585 ' HG3' ' O ' ' A' ' 376' ' ' LEU . 66.2 mt-10 -61.6 -47.95 83.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.564 179.351 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.92 -32.89 74.58 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.379 -0.373 . . . . 10.0 110.207 179.149 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -71.97 -36.84 69.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.754 179.42 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -62.27 -47.76 82.93 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 109.865 -0.42 . . . . 10.0 109.865 178.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 59.5 t -60.46 -49.21 85.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.8 -0.636 . . . . 10.0 111.097 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 3.6 p -63.32 -40.79 98.29 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.365 -0.379 . . . . 10.0 111.087 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -63.64 -43.61 96.3 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.611 179.377 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 387' ' ' LEU . . . . . 0.415 ' O ' ' HG3' ' A' ' 391' ' ' GLU . 27.0 mt -61.98 -41.02 97.56 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.05 -0.523 . . . . 10.0 109.744 178.81 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 388' ' ' SER . . . . . 0.57 ' HB3' ' HE2' ' D' ' 594' ' ' LYS . 14.9 m -64.67 -39.8 94.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.757 -0.656 . . . . 10.0 109.721 179.075 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -65.08 -40.81 95.18 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.251 179.505 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 9.3 mt -57.6 -44.02 85.11 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 116.081 -0.509 . . . . 10.0 109.949 178.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 391' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' ' 387' ' ' LEU . 40.0 mt-10 -63.86 -41.93 97.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.579 -0.737 . . . . 10.0 110.552 179.37 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -52.75 -47.45 67.42 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.959 -0.564 . . . . 10.0 111.531 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -64.42 -47.69 78.19 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.95 -0.568 . . . . 10.0 111.25 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 394' ' ' THR . . . . . 0.428 ' O ' ' HB3' ' A' ' 398' ' ' ASN . 7.3 m -66.86 -20.67 65.96 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.296 0.48 . . . . 10.0 112.296 -179.445 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -86.16 -45.27 11.5 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.432 0.53 . . . . 10.0 112.432 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 396' ' ' LYS . . . . . 0.448 ' HG2' ' HB2' ' D' ' 587' ' ' ALA . 0.4 OUTLIER -94.41 -36.45 11.9 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 114.47 1.285 . . . . 10.0 114.47 -177.733 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 77.2 mt -94.87 -1.3 52.96 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.185 0.517 . . . . 10.0 111.881 -178.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 398' ' ' ASN . . . . . 0.428 ' HB3' ' O ' ' A' ' 394' ' ' THR . 34.8 t-20 . . . . . 0 C--N 1.322 -0.623 0 CA-C-N 116.101 -0.5 . . . . 10.0 110.307 -179.635 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 2.8 mm? . . . . . 0 N--CA 1.455 -0.2 0 CA-C-O 120.995 0.426 . . . . 10.0 110.554 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -93.66 32.59 1.39 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.493 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 90.4 mt -69.19 -42.06 76.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.998 -0.546 . . . . 10.0 111.108 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 81.7 mt -68.29 -37.92 81.15 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.968 -179.452 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -63.23 -46.43 86.97 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.83 -0.623 . . . . 10.0 109.579 178.811 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 404' ' ' ASN . . . . . 0.488 ' O ' HG23 ' D' ' 408' ' ' VAL . 22.3 t-20 -65.59 -46.85 77.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.798 -0.637 . . . . 10.0 109.875 179.254 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -58.3 -40.29 81.61 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.953 -0.567 . . . . 10.0 111.15 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -65.97 -36.54 83.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.076 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 46.0 m -64.22 -36.43 84.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.289 0.566 . . . . 10.0 109.579 178.415 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 408' ' ' VAL . . . . . 0.488 HG23 ' O ' ' D' ' 404' ' ' ASN . 38.4 t -70.03 -32.27 50.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 CA-C-N 115.561 -0.745 . . . . 10.0 109.059 178.157 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 21.8 m -62.86 -42.27 99.69 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 108.903 -0.777 . . . . 10.0 108.903 178.686 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 2.9 m -61.12 -31.68 71.38 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.743 -0.662 . . . . 10.0 109.389 178.527 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 411' ' ' THR . . . . . 0.611 HG23 ' HE2' ' A' ' 363' ' ' LYS . 26.3 m -68.71 -42.02 78.26 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.519 -0.764 . . . . 10.0 109.307 178.744 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 412' ' ' PHE . . . . . 0.42 ' HD2' ' O ' ' D' ' 408' ' ' VAL . 22.8 m-85 -63.75 -42.19 97.88 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.955 -0.566 . . . . 10.0 109.689 178.343 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 413' ' ' SER . . . . . 0.461 ' HA ' ' HD2' ' D' ' 416' ' ' ARG . 16.7 m -60.01 -41.25 91.71 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.188 178.823 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 414' ' ' LYS . . . . . 0.42 ' HD3' ' HA ' ' D' ' 414' ' ' LYS . 66.6 mmtt -66.59 -30.08 70.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.988 0.423 . . . . 10.0 110.452 179.317 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 87.3 mt -67.85 -41.8 82.37 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.067 -0.716 . . . . 10.0 109.067 178.654 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 416' ' ' ARG . . . . . 0.461 ' HD2' ' HA ' ' D' ' 413' ' ' SER . 31.6 mtt180 -66.39 -32.8 74.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.748 -0.66 . . . . 10.0 110.3 179.367 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -61.82 -33.02 73.39 Favored 'General case' 0 C--O 1.227 -0.089 0 CA-C-N 115.819 -0.628 . . . . 10.0 109.832 179.057 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -87.35 -46.81 9.33 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.588 -0.733 . . . . 10.0 110.175 179.368 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 19.3 mt -42.12 -50.39 4.77 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 113.059 0.762 . . . . 10.0 113.059 -179.177 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -55.28 -75.12 0.25 Allowed Glycine 0 CA--C 1.517 0.198 0 C-N-CA 120.735 -0.745 . . . . 10.0 112.385 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 421' ' ' PRO . . . . . 0.506 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 73.4 Cg_exo -52.22 -43.55 52.63 Favored 'Trans proline' 0 C--O 1.235 0.341 0 C-N-CA 123.251 2.634 . . . . 10.0 113.295 179.555 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 41.7 t -58.79 -52.27 62.16 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.22 0 O-C-N 123.254 0.346 . . . . 10.0 111.57 -179.435 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 12.6 m -64.54 -36.56 84.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.878 0.37 . . . . 10.0 110.747 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -59.71 -50.43 73.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.495 179.052 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 425' ' ' GLU . . . . . 0.506 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 12.0 pt-20 -76.12 -24.04 54.91 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.871 -0.331 . . . . 10.0 110.937 179.289 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -66.69 -42.6 86.21 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.848 -0.797 . . . . 10.0 108.848 178.131 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 32.9 m0 -65.31 -39.27 92.28 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.4 -0.593 . . . . 10.0 109.4 178.34 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -66.13 -39.9 90.22 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.171 -0.678 . . . . 10.0 109.171 178.571 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.36 -41.49 98.83 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 108.738 -0.838 . . . . 10.0 108.738 177.481 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 27.7 mt -58.84 -39.06 80.13 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 115.657 -0.702 . . . . 10.0 110.272 179.178 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -61.88 -42.05 98.6 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.128 -0.487 . . . . 10.0 109.931 178.569 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 36.5 mttp -67.35 -43.49 81.35 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.523 178.803 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -62.85 -51.19 67.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.692 -0.686 . . . . 10.0 110.695 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 9.0 p -59.33 -48.92 79.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.459 -0.337 . . . . 10.0 110.829 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 435' ' ' GLU . . . . . 0.451 ' OE1' ' HD2' ' D' ' 438' ' ' ARG . 11.9 mm-40 -61.75 -44.04 97.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.465 -0.334 . . . . 10.0 110.773 179.278 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -60.83 -47.32 91.79 Favored Glycine 0 N--CA 1.446 -0.66 0 N-CA-C 110.527 -1.029 . . . . 10.0 110.527 178.457 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 90.9 mt -62.21 -39.14 91.77 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 109.778 -0.453 . . . . 10.0 109.778 178.462 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 438' ' ' ARG . . . . . 0.451 ' HD2' ' OE1' ' D' ' 435' ' ' GLU . 60.6 mtt180 -64.56 -36.75 85.23 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 116.491 -0.322 . . . . 10.0 111.021 179.488 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -63.0 -30.64 71.76 Favored 'General case' 0 N--CA 1.456 -0.131 0 CA-C-O 121.192 0.52 . . . . 10.0 110.1 179.095 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -85.35 -39.76 17.27 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.01 -0.737 . . . . 10.0 109.01 178.252 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 85.7 mmm -63.51 -37.76 88.53 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 115.566 -0.743 . . . . 10.0 112.05 -179.277 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 442' ' ' SER . . . . . 0.453 ' O ' ' HG2' ' D' ' 446' ' ' GLU . 5.5 p -62.45 -46.3 89.12 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.24 0.543 . . . . 10.0 109.763 179.683 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 443' ' ' LYS . . . . . 0.525 ' O ' ' HB2' ' D' ' 447' ' ' GLU . 28.6 mtpp -70.1 -37.73 75.47 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.629 -0.714 . . . . 10.0 110.658 178.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -67.95 -53.4 26.56 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.921 -0.581 . . . . 10.0 111.98 -179.41 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 93.5 mt -62.77 -52.51 62.93 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.741 0.645 . . . . 10.0 112.741 -178.752 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 446' ' ' GLU . . . . . 0.453 ' HG2' ' O ' ' D' ' 442' ' ' SER . 6.7 mm-40 -59.84 -46.08 90.41 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-O 120.661 0.267 . . . . 10.0 111.068 -179.419 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 447' ' ' GLU . . . . . 0.819 ' HB3' HH21 ' A' ' 330' ' ' ARG . 1.3 tt0 -72.44 -24.84 61.27 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 120.897 -0.321 . . . . 10.0 111.069 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -65.29 -38.59 82.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 109.206 -0.665 . . . . 10.0 109.206 178.485 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 74.2 mttt -66.35 -32.71 74.28 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.899 -0.591 . . . . 10.0 109.598 178.773 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -90.35 6.62 42.37 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.793 -0.639 . . . . 10.0 111.629 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 451' ' ' LYS . . . . . 0.522 ' O ' ' HB2' ' D' ' 455' ' ' TYR . 37.9 mttp -125.82 -41.78 1.95 Allowed 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 111.97 0.359 . . . . 10.0 111.97 179.588 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 69.6 t -69.35 -39.28 78.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.388 -0.369 . . . . 10.0 110.347 179.285 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -58.09 -57.55 25.17 Favored Pre-proline 0 CA--C 1.542 0.646 0 CA-C-N 116.619 -0.264 . . . . 10.0 111.329 179.438 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -65.34 -25.47 56.63 Favored 'Trans proline' 0 C--N 1.357 1.021 0 C-N-CA 121.682 1.588 . . . . 10.0 111.623 178.424 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 455' ' ' TYR . . . . . 0.522 ' HB2' ' O ' ' D' ' 451' ' ' LYS . 0.9 OUTLIER -71.87 -43.48 65.38 Favored 'General case' 0 C--O 1.226 -0.184 0 N-CA-C 109.141 -0.688 . . . . 10.0 109.141 178.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 37.4 mt -66.49 -37.15 84.45 Favored 'General case' 0 C--O 1.223 -0.32 0 N-CA-C 109.128 -0.693 . . . . 10.0 109.128 178.194 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -64.46 -48.75 74.09 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.823 -0.626 . . . . 10.0 109.659 178.441 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -62.29 -41.17 98.27 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.028 178.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -65.22 -44.66 87.59 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.936 178.742 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -62.93 -35.6 80.66 Favored 'General case' 0 C--O 1.224 -0.259 0 CA-C-N 116.386 -0.37 . . . . 10.0 110.386 179.314 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 70.8 mttt -64.67 -37.81 88.86 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.423 -0.584 . . . . 10.0 109.423 178.171 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 7.9 mtmm -75.04 -38.54 61.39 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.843 -0.617 . . . . 10.0 109.656 178.605 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 37.3 m0 -65.58 -41.9 92.37 Favored 'General case' 0 C--O 1.222 -0.354 0 N-CA-C 109.399 -0.593 . . . . 10.0 109.399 178.661 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -63.82 -44.44 93.24 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.811 -0.811 . . . . 10.0 108.811 178.481 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 465' ' ' GLU . . . . . 0.659 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 1.0 OUTLIER -56.61 -55.37 34.86 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.355 -0.839 . . . . 10.0 109.436 178.446 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -62.75 -37.83 88.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.453 -0.794 . . . . 10.0 111.418 -179.638 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 467' ' ' MET . . . . . 0.464 ' HA ' ' CD2' ' D' ' 470' ' ' TYR . 53.2 ttm -61.06 -46.04 92.3 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 109.565 -0.531 . . . . 10.0 109.565 179.367 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -67.35 -34.46 77.35 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.144 -0.687 . . . . 10.0 109.144 178.482 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 469' ' ' LEU . . . . . 0.659 ' HG ' ' O ' ' D' ' 465' ' ' GLU . 84.4 mt -66.14 -28.2 68.61 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 115.75 -0.659 . . . . 10.0 110.234 178.781 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 470' ' ' TYR . . . . . 0.464 ' CD2' ' HA ' ' D' ' 467' ' ' MET . 14.2 m-85 -66.39 -29.62 69.83 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 108.425 -0.954 . . . . 10.0 108.425 177.483 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 471' ' ' ARG . . . . . 0.542 ' HA ' ' HG2' ' D' ' 475' ' ' GLU . 68.8 mtt180 -85.05 -17.74 36.52 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.53 -0.759 . . . . 10.0 110.152 179.286 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -96.06 -14.4 22.95 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.778 -0.646 . . . . 10.0 111.009 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 473' ' ' LYS . . . . . 0.532 ' HE2' ' HB2' ' A' ' 305' ' ' MET . 60.6 mttp -124.5 -64.62 1.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.359 -0.382 . . . . 10.0 111.768 -179.473 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 25.4 t -58.98 -41.7 83.98 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.328 0 N-CA-C 111.834 0.309 . . . . 10.0 111.834 -178.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 475' ' ' GLU . . . . . 0.542 ' HG2' ' HA ' ' D' ' 471' ' ' ARG . 41.6 mm-40 -59.16 -59.31 14.25 Favored Pre-proline 0 CA--C 1.541 0.618 0 N-CA-C 112.89 0.7 . . . . 10.0 112.89 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -62.39 -37.17 62.27 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 121.431 1.42 . . . . 10.0 111.028 178.373 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 30.9 mt -65.86 -30.22 70.8 Favored 'General case' 0 C--O 1.225 -0.203 0 CA-C-O 120.793 0.33 . . . . 10.0 110.307 179.054 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 6.8 ttt-85 -61.78 -37.33 83.93 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.072 -0.714 . . . . 10.0 109.072 178.527 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -75.44 -39.68 58.55 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.741 -0.663 . . . . 10.0 109.551 178.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.0 -43.73 98.46 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 109.18 -0.674 . . . . 10.0 109.18 178.61 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 96.2 mt -72.23 -27.52 62.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.417 -0.81 . . . . 10.0 110.537 179.023 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -67.98 -46.67 70.68 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 108.789 -0.819 . . . . 10.0 108.789 178.628 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.34 -37.85 86.29 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.854 -0.795 . . . . 10.0 108.854 177.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -63.56 -39.59 97.79 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 110.422 -1.071 . . . . 10.0 110.422 178.42 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -68.41 -41.66 80.12 Favored 'General case' 0 C--O 1.223 -0.321 0 N-CA-C 109.416 -0.587 . . . . 10.0 109.416 178.544 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 75.3 mtt180 -60.64 -42.78 97.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.294 -0.412 . . . . 10.0 110.032 178.565 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -67.49 -44.55 78.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.939 -0.573 . . . . 10.0 109.828 178.542 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 488' ' ' LYS . . . . . 0.468 ' HA ' ' OE1' ' D' ' 491' ' ' GLU . 59.2 tttt -60.31 -42.06 94.77 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.539 -0.541 . . . . 10.0 109.539 178.686 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 47.8 mt -62.44 -35.18 78.47 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.8 -0.636 . . . . 10.0 109.701 178.6 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 50.8 t60 -69.98 -42.17 73.48 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 108.892 -0.781 . . . . 10.0 108.892 178.126 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 491' ' ' GLU . . . . . 0.468 ' OE1' ' HA ' ' D' ' 488' ' ' LYS . 73.5 mt-10 -59.11 -42.56 90.81 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 108.594 -0.891 . . . . 10.0 108.594 178.275 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 85.0 mt -70.59 -41.01 72.89 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.368 -0.833 . . . . 10.0 110.611 179.256 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 493' ' ' GLN . . . . . 0.43 ' C ' ' H ' ' D' ' 495' ' ' LYS . 28.1 mt-30 -56.99 -49.17 76.59 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-O 120.637 0.256 . . . . 10.0 110.998 179.478 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -76.61 19.76 0.26 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.264 0.554 . . . . 10.0 111.484 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 495' ' ' LYS . . . . . 0.536 ' HE3' ' HB3' ' A' ' 279' ' ' LEU . 37.5 mttp -132.27 -49.9 0.93 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.601 -0.727 . . . . 10.0 109.612 178.258 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 496' ' ' LEU . . . . . 0.449 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 42.1 mt -63.58 -28.44 69.93 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.288 -0.414 . . . . 10.0 111.225 179.613 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 497' ' ' SER . . . . . 0.402 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 37.3 m -76.66 -61.05 0.79 Allowed Pre-proline 0 CA--C 1.539 0.52 0 C-N-CA 121.015 -0.274 . . . . 10.0 111.713 178.631 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 498' ' ' PRO . . . . . 0.402 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 31.7 Cg_endo -65.21 -50.31 2.12 Favored 'Trans proline' 0 C--N 1.356 0.953 0 C-N-CA 122.082 1.854 . . . . 10.0 111.87 179.599 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 499' ' ' LEU . . . . . 0.937 HD21 ' HG2' ' A' ' 275' ' ' LYS . 74.3 mt -70.56 -29.32 65.74 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 116.684 -0.234 . . . . 10.0 110.494 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 500' ' ' GLY . . . . . 0.449 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -62.52 -49.16 76.26 Favored Glycine 0 N--CA 1.448 -0.564 0 N-CA-C 110.723 -0.951 . . . . 10.0 110.723 179.135 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -71.08 -28.98 64.73 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.901 -0.407 . . . . 10.0 109.901 178.756 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 502' ' ' GLU . . . . . 0.536 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 32.8 tt0 -68.36 -46.49 69.96 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.113 -0.699 . . . . 10.0 109.113 178.542 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 503' ' ' MET . . . . . 0.41 ' HG2' ' O ' ' D' ' 499' ' ' LEU . 95.3 mmm -63.44 -36.99 85.58 Favored 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 109.059 -0.719 . . . . 10.0 109.059 178.355 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 504' ' ' ARG . . . . . 0.436 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 97.4 mtt180 -63.43 -44.15 95.4 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.09 -0.707 . . . . 10.0 109.09 177.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -62.53 -41.69 99.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.55 -0.75 . . . . 10.0 109.972 179.326 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 506' ' ' ARG . . . . . 0.536 ' HG3' ' O ' ' D' ' 502' ' ' GLU . 80.0 mtt180 -62.47 -47.58 83.38 Favored 'General case' 0 CA--C 1.522 -0.111 0 N-CA-C 108.416 -0.957 . . . . 10.0 108.416 178.04 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -57.95 -43.49 86.44 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.333 -0.849 . . . . 10.0 110.296 179.354 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 508' ' ' ARG . . . . . 0.436 ' HG3' ' O ' ' D' ' 504' ' ' ARG . 37.6 mtt180 -61.7 -41.74 98.0 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.918 -0.401 . . . . 10.0 109.918 178.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 509' ' ' ALA . . . . . 0.738 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -65.57 -35.87 82.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.77 179.476 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 510' ' ' HIS . . . . . 0.544 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 71.1 m-70 -75.55 -43.82 46.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.319 178.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 41.7 t -63.85 -43.28 97.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.178 179.289 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 512' ' ' ASP . . . . . 0.419 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 25.3 t70 -65.3 -32.52 74.22 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.732 -0.47 . . . . 10.0 109.732 179.413 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -66.02 -44.94 83.26 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 108.523 -0.917 . . . . 10.0 108.523 177.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 514' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' D' ' 510' ' ' HIS . 89.9 mt -59.15 -28.62 66.75 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.914 -0.584 . . . . 10.0 110.912 179.191 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 515' ' ' ARG . . . . . 0.476 ' O ' ' HB3' ' D' ' 519' ' ' ALA . 76.6 mtt180 -65.25 -30.4 71.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.042 0.449 . . . . 10.0 110.556 179.068 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 1.2 m -105.15 -7.26 19.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.294 0.568 . . . . 10.0 110.693 -179.586 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 517' ' ' HIS . . . . . 0.425 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 0.4 OUTLIER -100.74 -59.31 1.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.953 -0.567 . . . . 10.0 111.382 -179.772 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 81.7 mt -77.43 -51.48 10.71 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.708 0.633 . . . . 10.0 112.708 -178.57 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 519' ' ' ALA . . . . . 0.629 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -48.31 -59.39 6.08 Favored Pre-proline 0 CA--C 1.538 0.509 0 N-CA-C 113.789 1.033 . . . . 10.0 113.789 -178.53 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 520' ' ' PRO . . . . . 0.629 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 31.8 Cg_exo -64.68 -44.7 10.18 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 121.788 1.659 . . . . 10.0 111.882 179.531 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -61.31 -42.65 99.01 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 112.15 0.426 . . . . 10.0 112.15 -179.264 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 24.7 p -65.35 -30.22 71.03 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.895 0.379 . . . . 10.0 110.837 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 523' ' ' ASP . . . . . 0.61 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 6.6 t70 -74.83 -38.16 62.1 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.435 -0.58 . . . . 10.0 109.435 178.645 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -67.91 -33.18 74.21 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 107.798 -1.186 . . . . 10.0 107.798 176.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 525' ' ' LEU . . . . . 0.658 HD23 ' HD2' ' D' ' 528' ' ' ARG . 7.8 mt -66.17 -34.91 79.11 Favored 'General case' 0 C--O 1.217 -0.615 0 CA-C-N 114.988 -1.006 . . . . 10.0 108.806 177.396 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 526' ' ' ARG . . . . . 0.61 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 58.5 mtt180 -63.35 -34.57 77.99 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 109.48 -0.563 . . . . 10.0 109.48 178.58 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -67.18 -40.22 86.53 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 108.34 -0.985 . . . . 10.0 108.34 178.085 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 528' ' ' ARG . . . . . 0.672 ' CZ ' ' HA ' ' A' ' 246' ' ' ASP . 93.7 mtt180 -67.83 -39.84 83.84 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.733 -0.84 . . . . 10.0 108.733 178.04 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 529' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' D' ' 525' ' ' LEU . 97.5 mt -61.93 -39.31 91.6 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.895 -0.593 . . . . 10.0 109.66 178.633 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 530' ' ' ALA . . . . . 0.46 ' O ' ' HB2' ' D' ' 534' ' ' GLU . . . -65.24 -37.49 87.43 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.663 -0.699 . . . . 10.0 109.893 178.817 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -71.1 -40.32 71.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.986 -0.552 . . . . 10.0 109.567 178.642 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 532' ' ' ARG . . . . . 0.465 ' O ' ' HG ' ' D' ' 536' ' ' LEU . 1.3 mtt180 -64.49 -48.94 73.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.807 -0.633 . . . . 10.0 109.453 178.371 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 79.7 mt -64.41 -28.23 69.54 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.057 179.351 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 534' ' ' GLU . . . . . 0.46 ' HB2' ' O ' ' D' ' 530' ' ' ALA . 23.4 tt0 -64.66 -48.57 74.29 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 108.423 -0.954 . . . . 10.0 108.423 178.116 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -68.11 -37.29 80.99 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.674 -0.694 . . . . 10.0 109.723 178.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 536' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' D' ' 532' ' ' ARG . 93.1 mt -66.98 -26.33 66.76 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.849 -0.614 . . . . 10.0 110.696 179.349 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -83.1 -41.34 18.69 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.14 -0.689 . . . . 10.0 109.14 178.342 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -62.43 -51.64 66.72 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 109.199 -0.667 . . . . 10.0 109.199 178.571 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -71.53 -30.31 65.77 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.574 179.094 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -65.12 -51.74 47.63 Favored Glycine 0 N--CA 1.447 -0.624 0 CA-C-N 115.88 -0.6 . . . . 10.0 111.642 179.465 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -62.28 -37.35 94.43 Favored Glycine 0 N--CA 1.448 -0.522 0 N-CA-C 111.049 -0.82 . . . . 10.0 111.049 179.201 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -67.57 -51.04 55.34 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.945 -0.391 . . . . 10.0 109.945 178.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 56.3 mtt180 -61.69 -32.2 72.38 Favored 'General case' 0 C--O 1.223 -0.303 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.944 179.548 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 544' ' ' LEU . . . . . 0.534 ' O ' ' HB2' ' D' ' 548' ' ' HIS . 27.0 mt -62.9 -41.41 99.42 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.247 -0.649 . . . . 10.0 109.247 178.359 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -71.86 -41.69 67.79 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.819 -0.628 . . . . 10.0 109.519 178.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -62.8 -48.88 77.19 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.878 179.529 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -67.61 -36.27 80.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.326 -0.397 . . . . 10.0 111.004 179.371 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 548' ' ' HIS . . . . . 0.534 ' HB2' ' O ' ' D' ' 544' ' ' LEU . 0.2 OUTLIER -67.17 -44.59 79.33 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 109.248 -0.649 . . . . 10.0 109.248 178.48 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -61.49 -45.5 93.97 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 109.137 -0.69 . . . . 10.0 109.137 178.463 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 550' ' ' LYS . . . . . 0.649 ' HD3' HG22 ' A' ' 224' ' ' VAL . 0.0 OUTLIER -64.43 -30.18 71.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.71 -0.677 . . . . 10.0 110.662 179.133 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -65.9 -42.9 89.63 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.687 -0.486 . . . . 10.0 109.687 178.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.6 -43.33 97.23 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.174 -0.676 . . . . 10.0 109.174 178.273 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -64.74 -41.33 96.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.416 -0.811 . . . . 10.0 109.911 179.202 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 62.6 t60 -64.12 -46.55 83.66 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.059 179.05 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 23.2 tp -61.85 -43.25 99.22 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.368 -0.378 . . . . 10.0 111.172 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 3.7 p -66.48 -40.01 89.07 Favored 'General case' 0 C--O 1.225 -0.202 0 C-N-CA 121.131 -0.228 . . . . 10.0 110.664 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 33.2 m -69.58 -33.16 72.33 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.168 0.508 . . . . 10.0 110.279 179.145 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 14.2 mt -72.07 -50.57 27.21 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.923 -0.581 . . . . 10.0 110.394 178.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 559' ' ' SER . . . . . 0.451 ' HA ' ' HB3' ' D' ' 562' ' ' ALA . 9.0 p -63.39 -31.19 72.27 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.87 0.367 . . . . 10.0 110.628 179.668 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -56.62 -32.28 65.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.293 -0.867 . . . . 10.0 110.746 178.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 561' ' ' LYS . . . . . 0.423 ' C ' ' HD2' ' D' ' 564' ' ' PRO . 51.9 mttp -109.29 -23.22 11.69 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 116.236 -0.438 . . . . 10.0 111.438 179.436 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 562' ' ' ALA . . . . . 0.451 ' HB3' ' HA ' ' D' ' 559' ' ' SER . . . -59.06 -48.58 81.09 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-O 120.725 0.298 . . . . 10.0 111.143 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 563' ' ' LYS . . . . . 0.787 ' HB2' ' HD3' ' D' ' 564' ' ' PRO . 87.0 mttt -58.63 -58.33 20.03 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.009 -0.541 . . . . 10.0 111.523 179.538 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 564' ' ' PRO . . . . . 0.787 ' HD3' ' HB2' ' D' ' 563' ' ' LYS . 53.2 Cg_exo -59.59 -37.59 87.46 Favored 'Trans proline' 0 C--N 1.359 1.082 0 C-N-CA 122.234 1.956 . . . . 10.0 111.868 178.664 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -62.46 -49.52 75.11 Favored 'General case' 0 CA--C 1.514 -0.431 0 N-CA-C 110.172 -0.307 . . . . 10.0 110.172 179.485 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 22.5 mt -58.29 -48.28 81.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.203 179.025 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -61.35 -49.86 75.24 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.995 -0.548 . . . . 10.0 111.755 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -62.96 -42.77 99.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.854 0.359 . . . . 10.0 110.861 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 37.5 mt -60.87 -44.36 97.15 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 109.667 -0.494 . . . . 10.0 109.667 179.107 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 75.7 mtt180 -63.43 -43.1 98.42 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.945 0.402 . . . . 10.0 110.142 178.762 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -63.32 -25.68 68.41 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.588 -0.733 . . . . 10.0 111.368 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -92.82 -36.77 5.96 Favored Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 111.17 -0.772 . . . . 10.0 111.17 179.059 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 21.2 mt -64.27 -42.39 96.47 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.167 0.432 . . . . 10.0 112.167 -179.643 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 61.8 mt -53.34 -60.67 6.39 Favored Pre-proline 0 CA--C 1.535 0.389 0 N-CA-C 112.803 0.668 . . . . 10.0 112.803 -179.479 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -65.07 -39.79 22.65 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 121.917 1.745 . . . . 10.0 111.817 179.155 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 7.7 t -60.9 -41.26 88.17 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-O 120.843 0.354 . . . . 10.0 110.83 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 20.0 mt -64.5 -34.99 79.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.123 178.761 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 578' ' ' GLU . . . . . 0.424 ' O ' HG23 ' D' ' 582' ' ' VAL . 78.3 mm-40 -66.93 -40.7 87.67 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 108.789 -0.819 . . . . 10.0 108.789 178.17 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 2.7 m -65.51 -38.4 89.57 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 108.745 -0.835 . . . . 10.0 108.745 178.42 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 2.3 m-30 -62.6 -41.32 98.9 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.678 -0.692 . . . . 10.0 110.183 178.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -63.26 -41.39 99.04 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.106 -0.701 . . . . 10.0 109.106 178.641 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 582' ' ' VAL . . . . . 0.424 HG23 ' O ' ' D' ' 578' ' ' GLU . 53.1 t -61.34 -48.52 88.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.612 -0.722 . . . . 10.0 110.473 179.139 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 1.2 p -66.79 -40.25 88.08 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.123 -0.49 . . . . 10.0 111.375 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -62.79 -48.28 79.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.017 179.038 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 70.5 mt -60.0 -50.02 75.39 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.891 -0.595 . . . . 10.0 111.424 -179.654 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 7.5 p -62.96 -31.73 72.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.698 0.285 . . . . 10.0 111.4 -179.494 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 587' ' ' ALA . . . . . 0.448 ' HB2' ' HG2' ' A' ' 396' ' ' LYS . . . -75.69 -54.26 7.24 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.712 0.292 . . . . 10.0 110.413 178.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 94.4 mt -56.79 -45.33 82.25 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.004 -0.544 . . . . 10.0 112.087 -179.531 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 589' ' ' GLU . . . . . 0.481 ' O ' ' HG3' ' D' ' 593' ' ' LYS . 24.2 mt-10 -58.74 -43.78 90.35 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.512 -0.313 . . . . 10.0 111.301 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -74.82 -35.26 62.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.494 -0.321 . . . . 10.0 111.415 -179.318 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -61.07 -43.4 98.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.037 0.446 . . . . 10.0 109.804 178.744 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 4.8 m -71.76 -10.0 59.12 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 115.721 -0.672 . . . . 10.0 111.231 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 593' ' ' LYS . . . . . 0.481 ' HG3' ' O ' ' D' ' 589' ' ' GLU . 90.0 mttt -88.76 -46.25 9.13 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.106 0.479 . . . . 10.0 109.907 178.798 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 594' ' ' LYS . . . . . 0.57 ' HE2' ' HB3' ' A' ' 388' ' ' SER . 11.1 mptt -75.72 -40.03 56.3 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.854 -0.612 . . . . 10.0 111.848 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 82.3 mt -93.11 33.39 1.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.119 0.485 . . . . 10.0 110.557 179.668 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 . . . . . 0 C--N 1.325 -0.468 0 CA-C-N 115.921 -0.582 . . . . 10.0 111.095 -179.746 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 4.2 m . . . . . 0 CA--C 1.53 0.203 0 CA-C-O 121.135 0.493 . . . . 10.0 110.792 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.87 121.89 39.08 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.104 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.499 ' HG3' HD23 ' B' ' 52' ' ' LEU . 24.3 tt0 -97.82 132.64 43.24 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.386 179.632 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -121.28 114.67 21.7 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.412 -0.358 . . . . 10.0 110.089 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.793 ' HA ' ' HB3' ' B' ' 54' ' ' ASP . 52.3 mttm -81.62 107.82 14.68 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.444 -0.343 . . . . 10.0 110.168 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 8.6 mt -116.42 126.95 54.15 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.154 -0.475 . . . . 10.0 111.132 -178.321 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 88.6 t -107.88 131.44 58.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.725 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 11.8 t -90.85 120.05 39.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 108.84 -0.8 . . . . 10.0 108.84 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.415 HG23 ' HA ' ' B' ' 80' ' ' CYS . 13.9 m -116.52 144.64 23.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 120.87 0.367 . . . . 10.0 111.688 -179.704 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 154.9 167.8 17.2 Favored Glycine 0 N--CA 1.447 -0.597 0 N-CA-C 111.456 -0.657 . . . . 10.0 111.456 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.17 171.36 11.14 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 121.131 0.491 . . . . 10.0 111.437 -179.634 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -84.33 123.79 30.56 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.115 0.484 . . . . 10.0 111.238 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 116.65 -9.69 16.58 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.683 -0.77 . . . . 10.0 112.596 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 17.2 m -78.73 -9.61 12.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.956 0.408 . . . . 10.0 111.105 179.492 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 97.38 32.97 6.11 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 121.054 -0.593 . . . . 10.0 111.682 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 16' ' ' LYS . . . . . 0.478 ' HB3' ' OD1' ' B' ' 57' ' ' ASP . 6.9 mmmm -52.48 -57.83 8.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.094 0.473 . . . . 10.0 111.313 -179.761 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.43 -28.17 41.71 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.724 -0.671 . . . . 10.0 111.474 -179.083 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.12 -47.67 82.58 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.45 -0.341 . . . . 10.0 111.281 -179.493 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 79.7 mt -65.03 -39.15 92.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.185 0.517 . . . . 10.0 110.75 179.775 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 20' ' ' THR . . . . . 0.412 ' O ' HG12 ' B' ' 24' ' ' ILE . 21.5 m -65.08 -51.56 60.69 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.877 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.44 -36.22 71.68 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 CA-C-N 116.603 -0.271 . . . . 10.0 111.485 -179.668 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 22' ' ' GLN . . . . . 0.635 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 0.4 OUTLIER -66.62 -24.89 66.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.985 0.421 . . . . 10.0 110.806 179.514 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 18.2 tp -91.28 -35.3 14.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.458 -0.337 . . . . 10.0 110.964 179.595 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.412 HG12 ' O ' ' B' ' 20' ' ' THR . 47.5 mm -81.49 -61.45 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 112.283 0.475 . . . . 10.0 112.283 -179.432 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -91.03 -11.37 38.99 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.342 -0.39 . . . . 10.0 111.977 -178.255 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 26' ' ' ASN . . . . . 0.635 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 42.8 m-80 71.1 19.98 5.34 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 114.187 1.18 . . . . 10.0 114.187 178.058 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -131.35 156.86 44.79 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.483 -0.487 . . . . 10.0 111.684 179.233 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -95.17 130.79 41.75 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.259 -179.125 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 2.0 m -91.89 116.33 32.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.191 -0.458 . . . . 10.0 110.521 179.179 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -94.73 18.21 12.08 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.353 0.597 . . . . 10.0 109.814 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -126.96 130.08 49.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.718 -0.674 . . . . 10.0 110.692 -179.216 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 32' ' ' TYR . . . . . 0.449 ' HE2' ' HG3' ' B' ' 34' ' ' PRO . 63.9 t80 -59.84 142.25 53.81 Favored 'General case' 0 C--O 1.237 0.402 0 O-C-N 123.368 0.418 . . . . 10.0 111.342 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -146.21 105.14 4.1 Favored Pre-proline 0 C--O 1.236 0.383 0 CA-C-N 115.887 -0.597 . . . . 10.0 111.4 -179.363 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 34' ' ' PRO . . . . . 0.449 ' HG3' ' HE2' ' B' ' 32' ' ' TYR . 12.0 Cg_exo -71.1 79.2 1.39 Allowed 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.914 2.409 . . . . 10.0 111.32 179.577 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.3 111.23 5.08 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.56 -0.746 . . . . 10.0 111.177 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.598 ' HA ' ' HB2' ' B' ' 59' ' ' ALA . 45.8 mm -78.14 -49.19 21.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.546 -0.538 . . . . 10.0 109.546 179.514 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 37' ' ' GLU . . . . . 0.579 ' HG2' HD11 ' B' ' 56' ' ' LEU . 4.6 tt0 -174.08 101.67 0.1 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.811 -0.631 . . . . 10.0 110.406 179.32 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -133.12 136.27 45.71 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.419 -0.585 . . . . 10.0 109.419 179.491 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 2.2 m -105.28 146.81 28.82 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.815 0.341 . . . . 10.0 111.489 -178.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -134.04 123.04 23.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.118 -179.679 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.509 ' HD2' ' OD2' ' B' ' 54' ' ' ASP . 0.8 OUTLIER -101.73 128.24 48.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.172 -0.467 . . . . 10.0 111.399 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 47.6 tttp -142.2 122.75 14.13 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.141 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -100.24 125.6 46.44 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.616 -0.513 . . . . 10.0 109.616 179.41 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -141.14 166.22 18.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 120.936 0.398 . . . . 10.0 111.211 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 15.8 t -96.99 107.47 19.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.779 -0.646 . . . . 10.0 109.707 179.303 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 46' ' ' ILE . . . . . 0.783 HD13 HG21 ' B' ' 160' ' ' VAL . 37.5 mt -117.89 126.87 75.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.2 -0.455 . . . . 10.0 110.083 -179.38 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 47' ' ' ASP . . . . . 0.526 ' HA ' ' HD2' ' C' ' 128' ' ' LYS . 9.6 m-20 63.77 14.23 8.09 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 115.909 -0.587 . . . . 10.0 111.988 179.551 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 98.88 3.09 57.11 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.905 -0.664 . . . . 10.0 112.435 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -117.19 143.34 45.96 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.897 0.349 . . . . 10.0 111.094 -179.641 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -85.2 105.86 16.21 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 109.054 -0.721 . . . . 10.0 109.054 178.431 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 3.3 m -116.88 147.46 42.17 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.315 -0.402 . . . . 10.0 111.513 -178.498 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.499 HD23 ' HG3' ' B' ' 3' ' ' GLU . 18.0 tp -105.6 116.34 31.77 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.344 -0.613 . . . . 10.0 109.344 178.495 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 53.2 mt -88.69 122.47 32.15 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.323 -0.399 . . . . 10.0 110.928 -179.487 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 54' ' ' ASP . . . . . 0.793 ' HB3' ' HA ' ' B' ' 5' ' ' LYS . 18.3 t70 -99.69 88.95 3.96 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.408 -0.96 . . . . 10.0 108.408 178.787 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 55' ' ' ILE . . . . . 0.406 HD12 HD11 ' B' ' 24' ' ' ILE . 20.1 mt -86.41 137.93 19.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.058 0.456 . . . . 10.0 111.331 -178.168 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.579 HD11 ' HG2' ' B' ' 37' ' ' GLU . 66.2 tp -137.04 111.16 8.34 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.879 -0.6 . . . . 10.0 110.572 179.632 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 57' ' ' ASP . . . . . 0.478 ' OD1' ' HB3' ' B' ' 16' ' ' LYS . 28.6 t0 -84.27 124.8 31.61 Favored 'General case' 0 CA--C 1.519 -0.227 0 N-CA-C 109.501 -0.555 . . . . 10.0 109.501 179.181 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 40.6 p -102.1 147.69 26.3 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.248 -179.149 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 59' ' ' ALA . . . . . 0.598 ' HB2' ' HA ' ' B' ' 36' ' ' ILE . . . -68.18 104.36 1.79 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.214 0.53 . . . . 10.0 111.029 179.315 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -82.86 35.29 2.72 Favored Glycine 0 N--CA 1.454 -0.13 0 C-N-CA 121.033 -0.604 . . . . 10.0 112.446 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -99.76 10.11 41.89 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.08 0.467 . . . . 10.0 110.935 -179.273 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.711 ' HG3' ' H ' ' B' ' 63' ' ' GLU . 3.4 tp10 65.1 -166.81 0.22 Allowed 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.524 -0.762 . . . . 10.0 112.595 178.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 63' ' ' GLU . . . . . 0.711 ' H ' ' HG3' ' B' ' 62' ' ' GLU . 0.5 OUTLIER 77.02 -10.14 1.4 Allowed 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.782 0.833 . . . . 10.0 112.193 -179.611 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 64' ' ' TYR . . . . . 0.52 ' HE2' ' HB3' ' B' ' 59' ' ' ALA . 21.4 m-30 -93.26 109.16 20.69 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.914 0.388 . . . . 10.0 111.825 -179.333 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 2.6 p -108.34 -65.21 1.14 Allowed 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.018 -0.734 . . . . 10.0 109.018 178.382 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.63 -34.65 60.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.58 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 26.5 ttt -62.43 -39.23 92.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.27 -0.423 . . . . 10.0 111.11 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 68' ' ' ARG . . . . . 0.626 ' HA ' ' CZ ' ' B' ' 71' ' ' TYR . 7.3 ttp180 -69.74 -34.66 74.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.695 -0.684 . . . . 10.0 111.054 -179.622 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -57.61 -37.68 73.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.423 -0.808 . . . . 10.0 112.255 -179.505 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -58.19 -66.17 0.53 Allowed 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.88 0.696 . . . . 10.0 112.88 -178.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 71' ' ' TYR . . . . . 0.626 ' CZ ' ' HA ' ' B' ' 68' ' ' ARG . 5.1 p90 -67.12 -20.49 65.78 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.847 0.684 . . . . 10.0 112.847 -178.714 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 22.9 mtt -67.87 -36.8 80.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.766 0.317 . . . . 10.0 110.734 179.369 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 73' ' ' ARG . . . . . 0.718 ' HG3' HG12 ' B' ' 103' ' ' VAL . 6.6 mtm180 -76.04 -37.4 58.39 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.974 0.416 . . . . 10.0 110.776 179.359 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 4.3 m -71.8 -36.32 70.25 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.749 -0.659 . . . . 10.0 111.587 -179.447 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.5 145.26 48.44 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.811 -0.709 . . . . 10.0 112.358 -179.534 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -103.0 -39.06 7.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.907 0.384 . . . . 10.0 110.221 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -121.48 139.82 13.41 Favored Glycine 0 N--CA 1.447 -0.63 0 N-CA-C 111.04 -0.824 . . . . 10.0 111.04 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -125.67 128.92 48.57 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.008 0.433 . . . . 10.0 111.126 -179.249 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.483 HD13 HD22 ' B' ' 159' ' ' LEU . 9.8 tp -109.43 114.33 27.89 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.684 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 80' ' ' CYS . . . . . 0.7 ' HB3' HD12 ' B' ' 93' ' ' ILE . 10.8 m -84.28 99.51 10.63 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 120.976 0.417 . . . . 10.0 110.113 179.637 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 49.0 t -98.08 128.83 49.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.599 -0.728 . . . . 10.0 110.008 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 82' ' ' PHE . . . . . 0.458 ' HB3' HD11 ' B' ' 93' ' ' ILE . 30.6 p90 -141.9 156.34 45.5 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.548 179.588 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -98.67 128.87 45.09 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.076 -0.713 . . . . 10.0 109.076 178.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 84' ' ' ILE . . . . . 0.674 HD11 ' HA ' ' B' ' 118' ' ' CYS . 26.0 pt -66.53 -12.09 14.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 120.767 0.318 . . . . 10.0 111.349 -179.615 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -95.9 9.55 40.22 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.822 -0.626 . . . . 10.0 110.813 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.415 ' OD1' ' HB3' ' B' ' 88' ' ' LYS . 26.5 t-20 -140.45 106.65 5.24 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.4 179.607 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.69 -33.13 75.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 10.0 112.29 -179.285 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 88' ' ' LYS . . . . . 0.415 ' HB3' ' OD1' ' B' ' 86' ' ' ASN . 26.0 tptp -54.81 -47.39 74.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.021 0.439 . . . . 10.0 110.839 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 19.9 m -63.57 -25.43 68.24 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.988 -0.551 . . . . 10.0 112.348 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -75.51 -38.52 59.38 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.154 0.502 . . . . 10.0 110.569 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -75.12 -32.35 61.37 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.425 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.53 -28.28 69.21 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.764 -0.653 . . . . 10.0 111.378 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 93' ' ' ILE . . . . . 0.7 HD12 ' HB3' ' B' ' 80' ' ' CYS . 41.4 mm -54.33 -43.33 61.71 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.174 179.429 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 69.5 t60 -59.05 -52.19 66.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.044 -0.526 . . . . 10.0 111.259 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 72.8 m-70 -64.76 -33.39 75.86 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.042 -0.527 . . . . 10.0 111.604 -178.746 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -68.03 -47.84 67.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.598 -0.274 . . . . 10.0 110.297 178.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 17.3 ttt180 -58.55 -47.96 82.49 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.594 179.499 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -62.34 -39.2 92.31 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.783 -0.644 . . . . 10.0 111.155 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 99' ' ' GLN . . . . . 0.521 ' O ' HG23 ' B' ' 103' ' ' VAL . 44.1 tt0 -66.37 -50.82 62.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.13 -0.486 . . . . 10.0 111.151 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 73.6 mt -57.93 -39.28 70.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-O 120.773 0.321 . . . . 10.0 110.788 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 101' ' ' LYS . . . . . 0.403 ' HB2' ' HE3' ' B' ' 101' ' ' LYS . 22.9 mtmt -63.43 -31.18 72.27 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.121 0.486 . . . . 10.0 111.496 179.604 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? -80.18 -35.59 36.21 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.33 -0.395 . . . . 10.0 110.501 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 103' ' ' VAL . . . . . 0.718 HG12 ' HG3' ' B' ' 73' ' ' ARG . 57.6 t -68.45 -57.77 8.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.306 -0.407 . . . . 10.0 111.8 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 30.9 mtpp -81.37 -12.61 58.93 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 111.865 0.32 . . . . 10.0 111.865 -178.782 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 33.6 t0 58.59 56.75 4.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.244 0.545 . . . . 10.0 112.183 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 8.1 t -154.14 128.77 9.3 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.745 -0.661 . . . . 10.0 109.696 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -78.02 -43.78 28.46 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.316 -0.402 . . . . 10.0 111.156 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -91.35 105.48 17.81 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.232 0.539 . . . . 10.0 111.548 -179.623 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 95.5 t -133.76 129.71 20.41 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 115.473 -0.785 . . . . 10.0 109.657 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -59.04 106.71 0.31 Allowed 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.908 2.405 . . . . 10.0 112.443 179.709 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 65.1 mtm -132.26 150.41 52.16 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.357 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 98.5 t -129.77 132.7 65.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 109.53 -0.544 . . . . 10.0 109.53 179.276 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 15.9 tp -82.72 114.62 21.19 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.056 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 97.5 t -105.26 107.35 22.4 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 N-CA-C 112.606 0.595 . . . . 10.0 112.606 -178.729 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -92.97 105.3 3.29 Favored Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 108.834 -1.707 . . . . 10.0 108.834 177.377 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 34.3 t-20 -99.36 154.39 18.23 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 112.534 0.568 . . . . 10.0 112.534 -177.661 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 4.9 mtmm 74.5 38.1 0.52 Allowed 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.15 -0.932 . . . . 10.0 112.99 179.234 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 118' ' ' CYS . . . . . 0.674 ' HA ' HD11 ' B' ' 84' ' ' ILE . 56.6 m -75.34 -9.48 58.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.913 -0.585 . . . . 10.0 112.257 179.71 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -86.67 -10.72 53.16 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.968 0.414 . . . . 10.0 111.258 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 62.6 mt -89.88 137.43 28.3 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 116.233 -0.44 . . . . 10.0 110.345 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -72.72 163.88 37.18 Favored 'Trans proline' 0 C--O 1.235 0.348 0 C-N-CA 122.876 2.384 . . . . 10.0 112.802 -179.523 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 1.8 m 55.56 71.0 0.58 Allowed 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.85 -0.614 . . . . 10.0 112.459 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -88.75 137.33 32.42 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.822 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.93 -51.58 13.41 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.198 -0.456 . . . . 10.0 110.921 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 76.5 t -86.46 112.96 23.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.121 -0.696 . . . . 10.0 109.121 178.335 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -74.45 149.89 40.18 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.067 -0.515 . . . . 10.0 109.924 -179.646 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.39 -28.33 66.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.107 0.479 . . . . 10.0 109.88 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 128' ' ' LYS . . . . . 0.542 ' HB3' ' HA ' ' C' ' 47' ' ' ASP . 15.0 mttp -59.2 -58.63 7.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.311 -0.859 . . . . 10.0 111.133 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 129' ' ' GLN . . . . . 0.445 ' HA ' ' HB3' ' B' ' 132' ' ' ASP . 2.0 pt20 -68.28 -26.93 65.9 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 112.452 0.538 . . . . 10.0 112.452 -179.323 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.42 -47.08 83.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.03 0.443 . . . . 10.0 110.313 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -79.59 -24.93 41.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.722 179.318 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 132' ' ' ASP . . . . . 0.445 ' HB3' ' HA ' ' B' ' 129' ' ' GLN . 20.9 t0 -64.58 -42.57 95.54 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.707 -0.678 . . . . 10.0 110.629 179.499 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 17.1 tp -69.39 -32.41 71.41 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.616 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -71.29 -19.92 62.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.95 -0.568 . . . . 10.0 112.061 -179.424 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 135' ' ' ARG . . . . . 0.454 ' HA ' ' HE2' ' C' ' 165' ' ' LYS . 34.5 mtm105 -56.79 -60.96 2.79 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.228 0.455 . . . . 10.0 112.228 -179.513 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 2.6 m -68.37 -18.84 64.57 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.804 -0.635 . . . . 10.0 112.525 -178.568 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 17.2 m-30 -82.22 -38.91 23.85 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.948 -0.301 . . . . 10.0 110.813 179.64 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 93.23 11.13 58.87 Favored Glycine 0 C--N 1.332 0.318 0 C-N-CA 121.038 -0.601 . . . . 10.0 112.379 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 44.3 pt -102.59 156.38 35.35 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-O 120.499 0.19 . . . . 10.0 110.82 -179.5 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -88.44 158.0 6.63 Favored 'Trans proline' 0 N--CA 1.457 -0.653 0 C-N-CA 122.755 2.303 . . . . 10.0 112.274 179.668 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -133.57 132.75 41.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.849 -0.614 . . . . 10.0 110.184 179.63 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 3.5 mp -130.59 139.12 52.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.408 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -77.37 136.55 38.44 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.581 -0.896 . . . . 10.0 108.581 178.314 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -136.83 153.66 50.73 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 113.344 0.868 . . . . 10.0 113.344 -178.201 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 15.7 t -153.65 117.96 4.87 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.807 -1.088 . . . . 10.0 108.287 178.546 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -79.79 -16.12 56.13 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.003 0.43 . . . . 10.0 110.701 -179.568 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 72.4 tttt -72.02 -32.73 67.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.833 -0.621 . . . . 10.0 110.658 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 2.0 p -115.95 -10.34 11.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.306 -0.406 . . . . 10.0 110.965 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 3.9 mtt-85 66.87 25.51 9.49 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 115.525 -0.761 . . . . 10.0 111.956 -179.391 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -75.03 118.63 18.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.298 -0.41 . . . . 10.0 111.55 -179.65 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 66.81 13.32 61.2 Favored Glycine 0 C--N 1.335 0.474 0 CA-C-N 115.975 -0.557 . . . . 10.0 114.191 178.583 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 41.8 t -67.9 -56.3 13.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 112.564 0.579 . . . . 10.0 112.564 -178.653 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.15 -38.41 90.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.654 0.264 . . . . 10.0 110.942 -178.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -63.11 -38.53 91.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.349 -0.387 . . . . 10.0 111.613 -179.595 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -59.37 -40.23 85.82 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.814 0.34 . . . . 10.0 110.438 179.568 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -69.3 -38.66 78.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.831 179.434 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 19.0 m-30 -68.42 -33.3 73.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.886 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 32.5 m -61.88 -37.1 83.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.069 179.494 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 159' ' ' LEU . . . . . 0.483 HD22 HD13 ' B' ' 79' ' ' LEU . 54.0 tp -62.07 -39.68 93.23 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.448 179.484 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 160' ' ' VAL . . . . . 0.783 HG21 HD13 ' B' ' 46' ' ' ILE . 3.4 t -68.85 -38.61 78.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.232 179.595 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 1.7 tpp180 -59.02 -40.46 85.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.681 -0.691 . . . . 10.0 111.068 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -64.02 -36.66 84.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 10.0 111.176 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 69.2 mt -68.22 -40.18 82.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.131 -0.486 . . . . 10.0 109.722 179.564 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 164' ' ' ARG . . . . . 0.404 ' HG3' ' O ' ' B' ' 160' ' ' VAL . 57.0 mtp180 -66.5 -32.97 74.67 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.337 0.589 . . . . 10.0 110.317 179.372 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt . . . . . 0 C--N 1.324 -0.503 0 CA-C-N 115.749 -0.659 . . . . 10.0 110.017 178.916 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 13.3 m . . . . . 0 C--O 1.237 0.429 0 CA-C-O 121.022 0.439 . . . . 10.0 111.005 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 1.2 m -93.87 125.8 38.7 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.421 -179.631 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -93.93 134.48 36.27 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 116.403 -0.362 . . . . 10.0 110.109 179.412 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -123.19 116.95 24.25 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.611 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 58.2 mttm -87.96 106.66 18.27 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.037 -0.529 . . . . 10.0 109.669 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 14.8 mt -111.74 131.57 55.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.96 -0.564 . . . . 10.0 111.527 -178.268 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 32.4 t -116.78 127.99 74.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.288 -0.415 . . . . 10.0 110.163 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.428 HG12 ' HD2' ' C' ' 16' ' ' LYS . 6.4 t -91.89 113.25 26.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 109.152 -0.685 . . . . 10.0 109.152 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 18.0 m -113.25 151.99 15.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.208 0.528 . . . . 10.0 111.604 -178.639 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 156.28 178.08 30.08 Favored Glycine 0 N--CA 1.446 -0.648 0 N-CA-C 111.329 -0.708 . . . . 10.0 111.329 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 11' ' ' ALA . . . . . 0.414 ' HB3' ' HB3' ' C' ' 89' ' ' SER . . . -75.3 154.26 37.47 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.266 0.555 . . . . 10.0 111.385 -179.578 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -68.81 111.69 5.04 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.573 -0.739 . . . . 10.0 110.991 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.5 -0.89 14.11 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.481 -0.866 . . . . 10.0 113.812 178.77 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 33.6 m -76.46 -25.0 16.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.997 0.398 . . . . 10.0 111.74 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 108.3 30.87 3.7 Favored Glycine 0 CA--C 1.52 0.403 0 C-N-CA 120.558 -0.829 . . . . 10.0 113.167 179.263 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 16' ' ' LYS . . . . . 0.428 ' HD2' HG12 ' C' ' 8' ' ' VAL . 27.3 mtmt -62.46 -37.04 84.39 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.01 0.433 . . . . 10.0 110.974 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 3.7 m -73.83 -44.3 56.09 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.281 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.24 -48.72 78.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.949 -0.569 . . . . 10.0 111.553 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 60.7 mt -59.27 -47.67 84.5 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.903 0.383 . . . . 10.0 111.134 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 10.1 m -64.16 -45.9 86.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 10.0 111.693 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.23 -32.44 54.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.553 0.216 . . . . 10.0 110.842 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 22' ' ' GLN . . . . . 0.544 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 6.3 mm-40 -64.07 -22.3 66.87 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 112.266 0.469 . . . . 10.0 112.266 179.624 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 22.2 tp -103.18 -34.73 8.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.943 0.402 . . . . 10.0 110.612 179.173 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 24' ' ' ILE . . . . . 0.528 HD11 HD12 ' C' ' 55' ' ' ILE . 41.3 mm -74.99 -62.9 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.096 -0.502 . . . . 10.0 111.929 -179.46 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -93.91 -17.8 22.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.908 0.385 . . . . 10.0 110.82 -179.524 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 26' ' ' ASN . . . . . 0.544 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 0.7 OUTLIER 70.31 41.94 0.98 Allowed 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 114.099 1.148 . . . . 10.0 114.099 177.931 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 12.4 p80 -150.14 160.27 43.79 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 110.096 -0.335 . . . . 10.0 110.096 178.494 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -106.21 142.43 35.91 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.742 0.306 . . . . 10.0 111.297 -178.807 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 2.4 m -119.26 128.52 75.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.307 179.344 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -88.96 -24.81 22.33 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.27 0.557 . . . . 10.0 110.495 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -72.8 149.77 43.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.873 -0.603 . . . . 10.0 110.561 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -97.71 127.23 43.51 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.329 0.492 . . . . 10.0 112.329 -179.484 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -132.31 98.65 16.72 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.08 179.155 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -53.3 119.36 6.03 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 123.159 2.573 . . . . 10.0 111.956 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.6 116.72 29.25 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.293 -179.631 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 36' ' ' ILE . . . . . 0.419 ' HA ' ' HB2' ' C' ' 59' ' ' ALA . 51.4 mm -75.95 -49.34 26.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 108.48 -0.933 . . . . 10.0 108.48 178.178 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 37' ' ' GLU . . . . . 0.675 ' HG3' HG22 ' C' ' 58' ' ' THR . 22.3 tt0 -176.65 96.61 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 114.926 -1.034 . . . . 10.0 109.892 178.755 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -116.25 147.01 41.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.014 -0.539 . . . . 10.0 110.124 -179.424 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 39' ' ' SER . . . . . 0.42 ' HB2' ' NH1' ' C' ' 41' ' ' ARG . 5.3 p -127.05 141.51 51.76 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.775 0.321 . . . . 10.0 111.213 -179.566 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -133.3 140.33 47.38 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.665 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 41' ' ' ARG . . . . . 0.5 ' HA ' ' O ' ' C' ' 53' ' ' LEU . 2.1 mpp_? -113.74 135.64 53.72 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.817 0.341 . . . . 10.0 110.845 179.682 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 41.1 tttp -148.75 130.68 15.24 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.207 -0.451 . . . . 10.0 110.433 179.536 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.84 121.92 38.08 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.121 -0.49 . . . . 10.0 109.863 179.096 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 12.8 m -133.26 162.24 40.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.949 0.404 . . . . 10.0 111.036 -179.486 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 14.5 t -102.54 100.64 10.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.899 -0.591 . . . . 10.0 109.742 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 46' ' ' ILE . . . . . 0.473 ' HB ' ' SG ' ' C' ' 51' ' ' CYS . 51.9 mt -107.02 117.9 53.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.312 -179.705 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 47' ' ' ASP . . . . . 0.542 ' HA ' ' HB3' ' B' ' 128' ' ' LYS . 12.2 m-20 61.28 24.03 14.19 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.703 -0.681 . . . . 10.0 111.576 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.41 0.71 72.8 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.625 -0.798 . . . . 10.0 112.391 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -104.45 142.92 33.75 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.887 0.375 . . . . 10.0 110.95 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 7.2 m -81.31 100.17 9.04 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.064 -1.088 . . . . 10.0 108.064 178.108 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 51' ' ' CYS . . . . . 0.473 ' SG ' ' HB ' ' C' ' 46' ' ' ILE . 11.5 m -101.41 129.84 47.51 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.205 -0.452 . . . . 10.0 112.116 -178.112 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 62.1 tp -97.99 111.23 23.62 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.256 -1.016 . . . . 10.0 108.256 178.246 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 53' ' ' LEU . . . . . 0.5 ' O ' ' HA ' ' C' ' 41' ' ' ARG . 16.9 mt -90.52 127.25 36.18 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 112.534 0.568 . . . . 10.0 112.534 -178.646 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -116.68 84.47 2.14 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 106.895 -1.521 . . . . 10.0 106.895 177.161 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 55' ' ' ILE . . . . . 0.528 HD12 HD11 ' C' ' 24' ' ' ILE . 10.9 mt -84.88 140.12 16.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.54 -0.755 . . . . 10.0 111.747 -177.724 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 56' ' ' LEU . . . . . 0.488 HD11 ' HG2' ' C' ' 37' ' ' GLU . 23.5 tp -132.94 116.23 16.19 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.29 -0.414 . . . . 10.0 111.522 -179.688 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -100.12 104.67 16.24 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 109.476 -0.564 . . . . 10.0 109.476 178.271 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 58' ' ' THR . . . . . 0.675 HG22 ' HG3' ' C' ' 37' ' ' GLU . 45.9 p -93.47 165.03 12.96 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 116.012 -0.54 . . . . 10.0 111.27 -179.227 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 59' ' ' ALA . . . . . 0.419 ' HB2' ' HA ' ' C' ' 36' ' ' ILE . . . -68.84 132.81 47.36 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.573 179.598 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -112.16 30.38 7.7 Favored Glycine 0 CA--C 1.517 0.177 0 N-CA-C 111.583 -0.607 . . . . 10.0 111.583 179.681 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -94.15 20.6 7.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.826 0.346 . . . . 10.0 111.113 -179.348 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 62' ' ' GLU . . . . . 0.501 ' HG3' ' H ' ' C' ' 63' ' ' GLU . 2.8 tp10 62.04 -170.45 0.17 Allowed 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.601 -0.727 . . . . 10.0 111.799 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 63' ' ' GLU . . . . . 0.501 ' H ' ' HG3' ' C' ' 62' ' ' GLU . 1.2 tm-20 75.53 -38.12 0.35 Allowed 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.49 0.716 . . . . 10.0 111.964 179.602 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 64' ' ' TYR . . . . . 0.504 ' O ' ' HB2' ' C' ' 68' ' ' ARG . 77.6 m-85 -74.76 49.29 0.4 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.351 0.5 . . . . 10.0 112.351 -179.677 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.53 -37.04 82.14 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.727 0.299 . . . . 10.0 110.838 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.66 -43.98 44.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.302 0.572 . . . . 10.0 110.401 179.699 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 67' ' ' MET . . . . . 0.467 ' HB3' ' HB3' ' C' ' 64' ' ' TYR . 21.2 ttt -65.1 -30.48 71.43 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.787 -0.642 . . . . 10.0 110.913 179.431 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 68' ' ' ARG . . . . . 0.65 ' HA ' ' CE1' ' C' ' 71' ' ' TYR . 20.3 ttp180 -66.01 -45.83 80.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.639 -0.71 . . . . 10.0 110.493 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -57.51 -41.76 81.44 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.755 -0.657 . . . . 10.0 111.265 -179.586 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -55.64 -51.24 67.87 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 113.071 0.767 . . . . 10.0 113.071 -179.115 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 71' ' ' TYR . . . . . 0.65 ' CE1' ' HA ' ' C' ' 68' ' ' ARG . 10.0 p90 -78.92 -10.96 59.97 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 113.431 0.9 . . . . 10.0 113.431 -178.562 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 72' ' ' MET . . . . . 0.462 ' HE3' ' HG2' ' C' ' 68' ' ' ARG . 37.4 mtt -71.89 -22.9 61.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.082 0.468 . . . . 10.0 110.761 179.679 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 15.8 mtt180 -74.93 -43.3 54.97 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.704 -0.68 . . . . 10.0 111.098 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.68 -28.82 51.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.435 -0.348 . . . . 10.0 111.357 179.777 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.08 126.6 31.68 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.979 -0.629 . . . . 10.0 113.188 -179.348 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -96.44 -50.86 4.58 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.666 -0.494 . . . . 10.0 109.666 179.078 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -114.1 129.1 8.57 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 110.922 -0.871 . . . . 10.0 110.922 179.635 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 78' ' ' PHE . . . . . 0.672 ' HB2' ' HG2' ' C' ' 111' ' ' MET . 89.5 m-85 -107.92 116.59 32.24 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.354 0.597 . . . . 10.0 111.976 -178.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 79' ' ' LEU . . . . . 0.661 HD13 HD22 ' C' ' 159' ' ' LEU . 14.6 tp -88.19 96.81 10.69 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.219 -0.9 . . . . 10.0 109.582 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 80' ' ' CYS . . . . . 0.566 ' HB3' HD12 ' C' ' 93' ' ' ILE . 58.5 m -78.36 96.19 5.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.116 -0.493 . . . . 10.0 109.936 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 51.1 t -103.89 134.58 44.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.095 -0.502 . . . . 10.0 111.191 -179.081 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 27.9 p90 -138.43 167.93 20.85 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.008 179.341 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 83' ' ' ALA . . . . . 0.463 ' HB3' ' HB3' ' C' ' 86' ' ' ASN . . . -105.01 133.51 49.67 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.187 -0.461 . . . . 10.0 110.193 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 84' ' ' ILE . . . . . 0.443 HD13 ' HA ' ' C' ' 118' ' ' CYS . 36.7 pt -69.8 -16.44 20.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.921 0.391 . . . . 10.0 111.465 -179.727 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -98.47 -0.85 42.65 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.546 179.156 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 86' ' ' ASN . . . . . 0.463 ' HB3' ' HB3' ' C' ' 83' ' ' ALA . 22.8 t-20 -126.72 99.34 5.73 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.634 -179.758 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 1.5 m -62.12 -30.99 71.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.898 -0.592 . . . . 10.0 111.719 -178.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -57.99 -47.73 82.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.368 -0.378 . . . . 10.0 111.227 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 89' ' ' SER . . . . . 0.439 ' HA ' ' HB2' ' C' ' 92' ' ' ASP . 62.3 p -61.81 -31.03 71.23 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.262 0.467 . . . . 10.0 112.262 -179.813 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -67.74 -43.02 80.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.214 0.531 . . . . 10.0 110.435 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -80.2 -23.31 41.05 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.068 -0.515 . . . . 10.0 110.875 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 92' ' ' ASP . . . . . 0.439 ' HB2' ' HA ' ' C' ' 89' ' ' SER . 0.3 OUTLIER -62.26 -32.03 72.69 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.416 -0.811 . . . . 10.0 110.538 179.671 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 93' ' ' ILE . . . . . 0.566 HD12 ' HB3' ' C' ' 80' ' ' CYS . 49.9 mm -56.87 -38.44 59.15 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-N 115.629 -0.714 . . . . 10.0 111.711 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -60.96 -42.39 98.2 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.31 -0.404 . . . . 10.0 110.473 -179.667 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 40.3 m80 -62.66 -39.97 95.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.553 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -69.42 -44.11 72.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.991 -0.549 . . . . 10.0 111.309 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -56.7 -46.7 81.07 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.49 -0.323 . . . . 10.0 111.369 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -61.18 -38.57 86.98 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.984 -0.553 . . . . 10.0 111.685 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 99' ' ' GLN . . . . . 0.415 ' O ' HG23 ' C' ' 103' ' ' VAL . 56.4 tt0 -71.15 -45.06 64.29 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.626 -0.43 . . . . 10.0 110.985 179.332 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 87.4 mt -55.74 -43.53 74.01 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-O 121.094 0.474 . . . . 10.0 109.936 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 3.8 mtmt -62.18 -35.46 78.92 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.357 -0.838 . . . . 10.0 111.063 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 33.1 ttm180 -73.67 -37.81 65.14 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.126 -0.488 . . . . 10.0 111.489 -179.238 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 103' ' ' VAL . . . . . 0.415 HG23 ' O ' ' C' ' 99' ' ' GLN . 60.4 t -72.5 -54.15 17.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 112.246 0.461 . . . . 10.0 112.246 -178.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -80.33 -21.08 42.87 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 116.419 -0.355 . . . . 10.0 111.952 -178.643 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 21.8 t70 59.69 60.54 2.19 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.687 0.756 . . . . 10.0 110.704 -179.47 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 23.2 t -156.6 140.44 16.16 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.181 -0.918 . . . . 10.0 109.454 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -88.02 -39.3 14.77 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.495 0.664 . . . . 10.0 109.488 179.56 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -85.4 90.56 7.97 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.478 -0.783 . . . . 10.0 109.763 179.397 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 41.2 t -118.09 130.91 24.43 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 116.053 -0.522 . . . . 10.0 110.251 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -66.39 97.14 0.36 Allowed 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.831 2.354 . . . . 10.0 111.417 179.115 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 111' ' ' MET . . . . . 0.672 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 72.1 mtm -136.29 143.54 44.25 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.959 -0.564 . . . . 10.0 109.993 179.778 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 112' ' ' VAL . . . . . 0.484 HG13 ' HG2' ' C' ' 140' ' ' PRO . 60.1 t -124.6 141.7 43.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.631 -0.507 . . . . 10.0 109.631 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 113' ' ' LEU . . . . . 0.45 ' O ' ' HA ' ' C' ' 141' ' ' PHE . 18.9 tp -98.79 117.72 33.91 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.214 -0.662 . . . . 10.0 109.214 179.251 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 53.5 t -126.24 129.13 72.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.134 0.493 . . . . 10.0 111.63 -178.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -101.22 136.13 12.55 Favored Glycine 0 N--CA 1.448 -0.51 0 N-CA-C 110.074 -1.211 . . . . 10.0 110.074 178.471 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -109.29 165.42 11.64 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 117.229 0.515 . . . . 10.0 110.986 -179.497 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 117' ' ' LYS . . . . . 0.506 ' HB3' HD12 ' C' ' 120' ' ' LEU . 82.7 mttt 63.1 35.66 12.78 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.726 -0.67 . . . . 10.0 112.643 179.34 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 118' ' ' CYS . . . . . 0.499 ' SG ' ' HB3' ' C' ' 143' ' ' GLU . 1.4 m -72.05 -8.21 53.27 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 112.95 0.722 . . . . 10.0 112.95 -179.671 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -86.72 -14.79 41.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.899 0.38 . . . . 10.0 110.325 179.389 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 120' ' ' LEU . . . . . 0.506 HD12 ' HB3' ' C' ' 117' ' ' LYS . 53.8 mt -85.93 129.28 54.88 Favored Pre-proline 0 C--O 1.235 0.335 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.175 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 121' ' ' PRO . . . . . 0.502 ' HD3' ' HA ' ' C' ' 120' ' ' LEU . 10.3 Cg_exo -71.59 165.93 30.99 Favored 'Trans proline' 0 C--O 1.235 0.367 0 C-N-CA 122.902 2.401 . . . . 10.0 112.412 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 6.1 m 66.25 77.17 0.29 Allowed 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.68 -0.691 . . . . 10.0 111.085 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 123' ' ' ARG . . . . . 0.472 ' HD2' ' HA ' ' C' ' 126' ' ' ASP . 2.6 ptp180 -106.66 144.13 33.77 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.637 -0.711 . . . . 10.0 111.415 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.56 -37.68 13.68 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.351 -0.386 . . . . 10.0 110.261 179.458 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 25.6 t -96.35 101.61 12.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.057 -0.52 . . . . 10.0 110.482 179.569 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 126' ' ' ASP . . . . . 0.472 ' HA ' ' HD2' ' C' ' 123' ' ' ARG . 20.0 t70 -78.11 156.17 30.11 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.755 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 3.1 m -55.96 -30.25 61.43 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 112.026 0.38 . . . . 10.0 112.026 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 128' ' ' LYS . . . . . 0.526 ' HD2' ' HA ' ' B' ' 47' ' ' ASP . 37.8 mtmm -57.72 -63.61 1.18 Allowed 'General case' 0 N--CA 1.46 0.072 0 CA-C-O 120.85 0.357 . . . . 10.0 111.422 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -66.42 -30.51 70.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.345 -0.389 . . . . 10.0 112.036 -179.226 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.49 -49.21 69.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.844 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -72.68 -24.34 61.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.527 -0.306 . . . . 10.0 111.266 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -63.9 -38.79 92.37 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.352 0.596 . . . . 10.0 110.368 178.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 42.5 tp -66.8 -42.63 85.62 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.921 -0.581 . . . . 10.0 109.689 179.195 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -68.02 -33.18 74.12 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 115.572 -0.74 . . . . 10.0 109.842 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 135' ' ' ARG . . . . . 0.453 HH11 ' HD3' ' C' ' 135' ' ' ARG . 9.3 ttt180 -63.04 -40.03 96.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.504 -0.771 . . . . 10.0 110.097 179.074 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 18.3 m -73.75 -38.77 64.61 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.914 -0.585 . . . . 10.0 111.078 179.711 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 5.3 m-30 -74.07 -31.18 62.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.174 -0.467 . . . . 10.0 111.839 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 85.97 30.7 22.49 Favored Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 111.13 -0.788 . . . . 10.0 111.13 -179.525 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 139' ' ' ILE . . . . . 0.537 ' HB ' ' HD2' ' C' ' 140' ' ' PRO . 44.9 pt -120.62 163.23 30.28 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 115.461 -0.37 . . . . 10.0 110.367 -179.446 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 140' ' ' PRO . . . . . 0.537 ' HD2' ' HB ' ' C' ' 139' ' ' ILE . 72.0 Cg_endo -81.35 153.23 18.29 Favored 'Trans proline' 0 CA--C 1.534 0.508 0 C-N-CA 122.292 1.995 . . . . 10.0 112.914 179.679 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 141' ' ' PHE . . . . . 0.45 ' HA ' ' O ' ' C' ' 113' ' ' LEU . 79.9 t80 -130.19 130.7 45.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.009 179.663 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 8.3 mt -130.57 131.95 64.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.548 -0.296 . . . . 10.0 110.839 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 143' ' ' GLU . . . . . 0.499 ' HB3' ' SG ' ' C' ' 118' ' ' CYS . 52.4 mt-10 -96.25 117.44 30.8 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.475 -0.935 . . . . 10.0 108.475 177.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 144' ' ' THR . . . . . 0.589 HG22 ' HA3' ' C' ' 151' ' ' GLY . 81.1 p -125.69 -172.79 2.68 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.885 0.698 . . . . 10.0 112.885 -177.395 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 3.5 t -161.64 122.41 2.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.874 -1.057 . . . . 10.0 108.336 179.142 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -73.09 -33.99 65.92 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.29 -0.414 . . . . 10.0 110.766 -178.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -63.94 -43.92 94.42 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.42 -0.355 . . . . 10.0 111.432 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 18.8 p -87.98 -8.29 55.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.015 0.436 . . . . 10.0 110.308 179.171 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 6.4 ttt-85 64.09 20.49 12.21 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.298 -0.865 . . . . 10.0 111.379 -179.691 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -82.0 125.0 30.28 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.548 -0.751 . . . . 10.0 111.353 -179.189 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 151' ' ' GLY . . . . . 0.589 ' HA3' HG22 ' C' ' 144' ' ' THR . . . 77.52 0.17 71.98 Favored Glycine 0 CA--C 1.52 0.391 0 N-CA-C 114.773 0.669 . . . . 10.0 114.773 178.223 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 79.0 t -57.0 -45.16 83.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.157 0.503 . . . . 10.0 111.431 -179.402 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.33 -46.51 69.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.607 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -57.48 -37.79 73.49 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.452 -0.34 . . . . 10.0 111.8 -179.53 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -57.37 -40.66 78.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.426 . . . . 10.0 111.599 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -87.57 -40.84 13.9 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 111.923 0.342 . . . . 10.0 111.923 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -59.93 -51.31 70.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.495 . . . . 10.0 111.65 -179.538 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 158' ' ' THR . . . . . 0.701 ' HA ' ' HE ' ' C' ' 161' ' ' ARG . 24.3 m -68.95 -27.65 65.94 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 112.161 0.43 . . . . 10.0 112.161 -178.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 159' ' ' LEU . . . . . 0.661 HD22 HD13 ' C' ' 79' ' ' LEU . 56.1 tp -64.29 -38.47 91.14 Favored 'General case' 0 C--N 1.333 -0.114 0 N-CA-C 109.262 -0.644 . . . . 10.0 109.262 178.838 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 48.8 t -67.85 -35.71 73.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.226 -0.897 . . . . 10.0 109.574 178.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 161' ' ' ARG . . . . . 0.701 ' HE ' ' HA ' ' C' ' 158' ' ' THR . 0.0 OUTLIER -64.06 -35.92 82.32 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.745 -0.662 . . . . 10.0 111.286 179.709 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -63.76 -36.15 82.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.651 0.262 . . . . 10.0 110.659 179.283 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 54.4 mt -65.42 -43.02 94.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.339 -0.391 . . . . 10.0 110.004 179.141 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 5.5 mtt85 -67.49 -42.48 82.82 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.04 0.448 . . . . 10.0 109.843 178.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 165' ' ' LYS . . . . . 0.454 ' HE2' ' HA ' ' B' ' 135' ' ' ARG . 27.1 ttmt -61.6 -36.68 81.39 Favored 'General case' 0 C--O 1.222 -0.343 0 CA-C-N 115.816 -0.629 . . . . 10.0 109.584 179.026 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 14.8 t-80 -59.81 -45.81 91.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 10.0 109.957 179.036 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 90.6 mttt . . . . . 0 C--N 1.327 -0.402 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.275 179.668 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 14.9 tttm . . . . . 0 C--O 1.233 0.216 0 CA-C-O 120.749 0.309 . . . . 10.0 111.414 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 91.1 mt -64.88 -33.86 77.02 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.93 0.395 . . . . 10.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 79.4 mt -74.76 -37.46 62.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.978 -0.555 . . . . 10.0 110.623 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -64.92 -49.89 68.63 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.696 -0.684 . . . . 10.0 110.542 179.41 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 206' ' ' ASN . . . . . 0.469 HD21 HD21 ' D' ' 569' ' ' LEU . 15.3 m120 -68.79 -21.94 64.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.933 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 70.7 t90 -71.4 -29.74 65.29 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.146 179.124 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -63.41 -37.03 85.72 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.467 -0.568 . . . . 10.0 109.467 179.043 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.11 -36.86 75.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.662 -0.699 . . . . 10.0 110.032 179.308 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 210' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 206' ' ' ASN . 50.2 t -66.49 -42.73 90.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 108.988 -0.745 . . . . 10.0 108.988 178.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 38.2 m -59.99 -46.86 88.07 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.182 -0.917 . . . . 10.0 111.271 179.267 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.58 -35.69 81.81 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.093 0.473 . . . . 10.0 110.05 179.464 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 61.3 m -62.71 -47.42 83.68 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 109.29 -0.633 . . . . 10.0 109.29 178.348 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 214' ' ' PHE . . . . . 0.409 ' HA ' HD12 ' A' ' 217' ' ' LEU . 5.2 m-85 -65.4 -35.9 82.35 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.997 -0.547 . . . . 10.0 111.016 179.147 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 49.0 m -59.57 -53.58 56.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.558 179.498 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 71.0 mttt -67.93 -28.63 67.65 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.684 0.278 . . . . 10.0 111.002 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 217' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' A' ' 214' ' ' PHE . 16.9 mt -64.94 -42.8 94.32 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.748 -0.834 . . . . 10.0 108.748 177.654 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 218' ' ' ARG . . . . . 0.581 ' HA ' HD12 ' A' ' 221' ' ' LEU . 48.3 mtt180 -68.93 -30.8 69.33 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.628 -0.715 . . . . 10.0 110.02 178.778 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -65.92 -48.02 72.79 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.741 -0.837 . . . . 10.0 108.741 177.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -68.73 -28.76 67.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.274 -0.875 . . . . 10.0 110.917 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 221' ' ' LEU . . . . . 0.581 HD12 ' HA ' ' A' ' 218' ' ' ARG . 13.3 mt -54.84 -33.62 61.91 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.315 -0.402 . . . . 10.0 111.141 179.409 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -56.75 -69.86 1.15 Allowed Glycine 0 CA--C 1.521 0.453 0 N-CA-C 111.567 -0.613 . . . . 10.0 111.567 178.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -53.61 -39.31 83.39 Favored 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 122.65 2.233 . . . . 10.0 111.585 178.491 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 224' ' ' VAL . . . . . 0.477 ' O ' ' HB2' ' A' ' 228' ' ' PHE . 49.5 t -59.39 -51.2 75.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.432 -0.349 . . . . 10.0 111.064 179.714 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 7.9 p -64.54 -38.31 90.56 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.85 -0.34 . . . . 10.0 110.4 179.452 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -61.47 -50.74 71.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.925 179.415 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 73.9 mt-10 -67.42 -44.14 79.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.511 -0.313 . . . . 10.0 111.229 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 228' ' ' PHE . . . . . 0.477 ' HB2' ' O ' ' A' ' 224' ' ' VAL . 0.3 OUTLIER -59.31 -50.56 73.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.435 179.798 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -64.43 -37.82 88.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.385 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -61.09 -46.75 89.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.057 179.304 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 231' ' ' ASN . . . . . 0.681 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 86.8 m-20 -70.48 -37.13 74.19 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.009 -0.542 . . . . 10.0 110.247 179.196 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 232' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 228' ' ' PHE . 51.5 mt -63.45 -35.43 80.42 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.253 -0.647 . . . . 10.0 109.253 178.506 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 233' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' A' ' 237' ' ' GLU . 41.6 mm-40 -65.68 -41.68 92.17 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 109.649 -0.5 . . . . 10.0 109.649 178.719 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 234' ' ' LYS . . . . . 0.681 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 63.4 mttt -62.98 -39.98 96.35 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.136 -0.69 . . . . 10.0 109.136 178.366 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.64 -52.16 58.82 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.277 -0.874 . . . . 10.0 110.13 179.171 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 1.7 p -65.48 -30.58 71.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 10.0 112.009 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 237' ' ' GLU . . . . . 0.419 ' HB2' ' O ' ' A' ' 233' ' ' GLU . 2.5 tt0 -67.79 -44.46 77.32 Favored 'General case' 0 CA--C 1.517 -0.305 0 N-CA-C 108.438 -0.949 . . . . 10.0 108.438 178.358 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -61.64 -42.78 99.81 Favored Glycine 0 N--CA 1.445 -0.751 0 N-CA-C 109.838 -1.305 . . . . 10.0 109.838 177.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 79.5 mt -63.59 -33.48 75.69 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.967 0.413 . . . . 10.0 110.387 178.755 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 15.7 mtt180 -72.2 -39.68 68.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.318 -0.401 . . . . 10.0 109.948 178.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -67.34 -38.67 85.21 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.292 -1.003 . . . . 10.0 108.292 177.573 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 242' ' ' GLU . . . . . 0.487 ' OE1' ' HB3' ' D' ' 528' ' ' ARG . 11.0 mt-10 -65.3 -33.87 76.99 Favored 'General case' 0 C--O 1.218 -0.584 0 CA-C-N 114.916 -1.038 . . . . 10.0 110.142 178.103 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 243' ' ' MET . . . . . 0.77 ' HG3' HD12 ' A' ' 247' ' ' LEU . 54.7 ttm -57.29 -30.84 65.05 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.052 0.453 . . . . 10.0 110.485 179.212 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 9.2 m -76.78 8.16 3.97 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 115.392 -0.822 . . . . 10.0 111.063 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -137.65 -56.77 0.68 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.008 -0.542 . . . . 10.0 109.707 179.15 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 246' ' ' ASP . . . . . 0.557 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 22.9 t70 -57.04 -56.85 16.39 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.59 -0.732 . . . . 10.0 110.902 -179.769 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 247' ' ' LEU . . . . . 0.77 HD12 ' HG3' ' A' ' 243' ' ' MET . 16.1 mt -78.38 -33.18 49.03 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.239 -0.437 . . . . 10.0 111.375 179.551 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -61.74 -49.49 76.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.984 0.421 . . . . 10.0 111.001 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 249' ' ' GLU . . . . . 0.546 ' O ' ' HB2' ' A' ' 253' ' ' LYS . 6.5 mt-10 -70.72 -27.84 64.28 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.227 -0.442 . . . . 10.0 112.116 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 250' ' ' VAL . . . . . 0.559 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 0.9 OUTLIER -78.06 -18.46 13.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.202 0.525 . . . . 10.0 110.289 179.058 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 251' ' ' LYS . . . . . 0.417 ' O ' HG12 ' A' ' 254' ' ' VAL . 35.9 ttpt -97.0 -36.42 10.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.74 -0.664 . . . . 10.0 109.903 179.163 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -74.87 -41.19 60.27 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.317 -0.402 . . . . 10.0 110.647 179.557 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 253' ' ' LYS . . . . . 0.546 ' HB2' ' O ' ' A' ' 249' ' ' GLU . 45.3 mttt -82.69 -10.06 59.09 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.995 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 254' ' ' VAL . . . . . 0.559 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.4 OUTLIER -62.66 -29.67 47.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 C-N-CA 120.796 -0.362 . . . . 10.0 110.38 179.673 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -63.99 -63.97 3.33 Favored Pre-proline 0 N--CA 1.453 -0.309 0 CA-C-N 116.274 -0.421 . . . . 10.0 111.371 178.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_endo -62.1 -36.04 72.3 Favored 'Trans proline' 0 C--N 1.356 0.943 0 C-N-CA 121.874 1.716 . . . . 10.0 112.284 179.714 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 4.3 m-30 -64.61 -53.0 54.57 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.86 0.362 . . . . 10.0 110.495 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 258' ' ' LEU . . . . . 0.455 HD23 ' HA ' ' A' ' 258' ' ' LEU . 14.3 mt -69.28 -32.78 72.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.444 -0.343 . . . . 10.0 110.609 179.493 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 259' ' ' ASP . . . . . 0.485 ' O ' ' HB2' ' A' ' 263' ' ' LYS . 16.3 t70 -60.64 -45.82 92.63 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.319 -0.623 . . . . 10.0 109.319 178.703 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -63.69 -48.93 75.15 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.564 -0.744 . . . . 10.0 110.643 179.45 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -60.99 -50.31 73.89 Favored 'General case' 0 N--CA 1.457 -0.092 0 CA-C-N 115.933 -0.576 . . . . 10.0 111.285 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -64.52 -38.73 92.05 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 116.635 -0.257 . . . . 10.0 111.096 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 263' ' ' LYS . . . . . 0.485 ' HB2' ' O ' ' A' ' 259' ' ' ASP . 31.9 ttmt -58.64 -54.4 47.49 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.797 -0.446 . . . . 10.0 109.797 179.595 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 264' ' ' LYS . . . . . 0.541 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 73.7 mttt -64.1 -36.57 84.47 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.666 -0.697 . . . . 10.0 110.161 179.302 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -63.83 -38.77 92.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.326 -0.397 . . . . 10.0 110.299 178.675 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -61.79 -45.39 94.09 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.936 -0.764 . . . . 10.0 108.936 178.541 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -65.07 -43.85 90.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.162 -0.926 . . . . 10.0 109.507 178.514 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 268' ' ' GLU . . . . . 0.458 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 30.9 mt-10 -60.17 -44.7 94.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.708 -0.678 . . . . 10.0 111.078 179.533 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 70.8 mmm -65.52 -41.75 92.78 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.336 179.376 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -61.43 -48.36 81.55 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 116.008 -0.542 . . . . 10.0 109.594 178.4 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 85.4 mt -59.64 -41.49 90.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.848 -0.615 . . . . 10.0 110.063 179.095 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 272' ' ' TYR . . . . . 0.409 ' HD1' ' HA ' ' A' ' 272' ' ' TYR . 1.5 m-30 -60.93 -44.94 96.51 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.607 179.299 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 273' ' ' ARG . . . . . 0.509 ' HA ' HG12 ' A' ' 276' ' ' VAL . 78.1 mtt180 -68.57 -42.95 77.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.979 0.419 . . . . 10.0 111.001 179.297 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -65.48 -16.82 64.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.818 -0.628 . . . . 10.0 111.769 -179.559 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 275' ' ' LYS . . . . . 0.691 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 8.3 mptt -104.25 -48.05 3.96 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.576 -0.284 . . . . 10.0 110.809 179.115 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 276' ' ' VAL . . . . . 0.528 ' O ' ' HB2' ' A' ' 280' ' ' ARG . 2.5 p -53.38 -31.42 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 112.851 0.685 . . . . 10.0 112.851 -178.534 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -69.57 -63.34 2.01 Favored Pre-proline 0 CA--C 1.536 0.432 0 N-CA-C 112.151 0.426 . . . . 10.0 112.151 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_endo -60.21 -35.82 90.56 Favored 'Trans proline' 0 C--N 1.356 0.94 0 C-N-CA 121.476 1.45 . . . . 10.0 111.339 178.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 279' ' ' LEU . . . . . 0.691 ' HG ' ' O ' ' A' ' 275' ' ' LYS . 34.1 mt -67.0 -37.89 85.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.463 -0.335 . . . . 10.0 110.269 179.361 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 280' ' ' ARG . . . . . 0.528 ' HB2' ' O ' ' A' ' 276' ' ' VAL . 11.3 ttt180 -66.4 -34.37 77.81 Favored 'General case' 0 C--O 1.223 -0.31 0 N-CA-C 109.426 -0.583 . . . . 10.0 109.426 179.002 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -63.81 -43.18 97.03 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 109.167 -0.679 . . . . 10.0 109.167 178.733 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -65.09 -49.3 70.55 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.93 -0.577 . . . . 10.0 109.545 178.471 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 283' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 279' ' ' LEU . 85.3 mt -61.35 -33.3 73.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.597 -0.729 . . . . 10.0 111.018 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 284' ' ' GLN . . . . . 0.45 ' HB2' ' O ' ' A' ' 280' ' ' ARG . 15.2 tt0 -70.59 -45.21 65.78 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.408 -0.59 . . . . 10.0 109.408 178.635 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -62.74 -45.14 94.12 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.153 -0.684 . . . . 10.0 109.153 178.463 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -61.08 -45.49 96.48 Favored Glycine 0 N--CA 1.442 -0.927 0 N-CA-C 110.521 -1.032 . . . . 10.0 110.521 178.487 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -58.14 -44.8 88.04 Favored 'General case' 0 C--O 1.221 -0.429 0 N-CA-C 110.219 -0.289 . . . . 10.0 110.219 178.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 60.3 mtt180 -60.76 -49.6 76.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.853 0.358 . . . . 10.0 110.368 178.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -60.43 -41.53 94.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.898 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 69.6 mttt -71.41 -39.98 70.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.721 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 28.7 mt -64.11 -42.33 96.92 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.285 179.121 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -61.03 -40.41 93.49 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 109.79 -0.448 . . . . 10.0 109.79 178.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -62.04 -41.99 98.7 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.199 -0.667 . . . . 10.0 109.199 178.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 95.7 mt -67.37 -39.88 85.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.47 -0.786 . . . . 10.0 110.651 179.291 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -62.45 -40.38 96.43 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.142 0.496 . . . . 10.0 109.952 179.147 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -60.3 -28.51 68.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.676 -0.693 . . . . 10.0 110.386 179.335 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 297' ' ' LYS . . . . . 0.517 ' HB3' HD12 ' A' ' 301' ' ' LEU . 15.2 mmtp -104.88 13.98 30.27 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.182 -0.463 . . . . 10.0 111.161 -179.784 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 15.6 mt -110.97 -39.92 4.66 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-N 116.154 -0.476 . . . . 10.0 111.034 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 299' ' ' SER . . . . . 0.539 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 2.5 m -72.31 -68.11 0.45 Allowed Pre-proline 0 CA--C 1.544 0.725 0 N-CA-C 112.77 0.656 . . . . 10.0 112.77 -179.646 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 300' ' ' PRO . . . . . 0.539 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 28.4 Cg_endo -63.31 -48.24 6.45 Favored 'Trans proline' 0 C--N 1.354 0.827 0 C-N-CA 121.866 1.71 . . . . 10.0 112.135 -179.477 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 301' ' ' LEU . . . . . 0.517 HD12 ' HB3' ' A' ' 297' ' ' LYS . 31.4 mt -65.66 -32.6 74.26 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 116.193 -0.458 . . . . 10.0 110.753 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -67.58 -48.02 58.99 Favored Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 110.564 -1.014 . . . . 10.0 110.564 178.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -62.47 -38.41 89.71 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.322 -0.621 . . . . 10.0 109.322 178.762 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -65.74 -36.67 84.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.78 -0.645 . . . . 10.0 109.849 178.61 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 5.9 tpt -68.05 -40.32 82.85 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 116.018 -0.537 . . . . 10.0 109.794 179.508 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 306' ' ' ARG . . . . . 0.462 ' O ' ' HG3' ' A' ' 310' ' ' ARG . 81.0 mtt180 -70.6 -39.7 73.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.914 -0.585 . . . . 10.0 110.562 178.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 307' ' ' ASP . . . . . 0.492 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 37.9 t70 -64.36 -42.11 96.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.177 0.513 . . . . 10.0 109.805 178.874 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 308' ' ' ARG . . . . . 0.491 ' HD3' ' HA ' ' A' ' 308' ' ' ARG . 11.7 mmt180 -69.8 -29.14 66.37 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.968 -0.56 . . . . 10.0 109.551 178.116 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -67.21 -37.58 83.87 Favored 'General case' 0 CA--C 1.52 -0.204 0 N-CA-C 108.333 -0.988 . . . . 10.0 108.333 177.639 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 310' ' ' ARG . . . . . 0.492 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 80.2 mtt180 -59.88 -45.34 92.8 Favored 'General case' 0 C--O 1.22 -0.47 0 N-CA-C 108.707 -0.849 . . . . 10.0 108.707 177.857 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -66.37 -43.68 85.29 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.802 -0.635 . . . . 10.0 109.897 178.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 312' ' ' HIS . . . . . 0.485 ' HE1' ' HB2' ' D' ' 465' ' ' GLU . 2.0 m-70 -55.48 -50.88 68.72 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.137 179.127 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 85.5 t -72.99 -35.45 48.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.156 -0.929 . . . . 10.0 111.457 -179.507 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -62.06 -49.34 76.36 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 109.977 -0.379 . . . . 10.0 109.977 179.237 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -61.84 -33.66 74.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.912 -0.585 . . . . 10.0 109.432 179.088 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 9.5 mt -68.66 -45.12 72.6 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.615 -0.72 . . . . 10.0 109.357 178.235 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 14.4 mtm105 -61.44 -46.19 91.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.424 . . . . 10.0 110.941 179.558 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 5.3 m -63.39 -22.43 66.87 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.623 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 14.0 m80 -93.47 -41.08 9.99 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.861 0.362 . . . . 10.0 110.392 178.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 320' ' ' LEU . . . . . 0.495 ' HA ' ' HB2' ' A' ' 323' ' ' TYR . 61.5 mt -68.78 -28.27 66.63 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.101 -0.5 . . . . 10.0 112.234 -179.527 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 321' ' ' ALA . . . . . 0.404 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -57.24 -60.01 10.99 Favored Pre-proline 0 CA--C 1.539 0.535 0 N-CA-C 111.383 0.142 . . . . 10.0 111.383 179.47 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 322' ' ' PRO . . . . . 0.404 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 37.3 Cg_endo -68.3 -29.69 31.67 Favored 'Trans proline' 0 C--N 1.357 0.998 0 C-N-CA 121.6 1.533 . . . . 10.0 110.552 178.429 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 323' ' ' TYR . . . . . 0.495 ' HB2' ' HA ' ' A' ' 320' ' ' LEU . 6.3 m-30 -61.89 -51.48 68.02 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.592 179.002 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 324' ' ' SER . . . . . 0.427 ' O ' ' HG3' ' A' ' 328' ' ' ARG . 5.1 p -62.17 -34.45 76.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.729 0.3 . . . . 10.0 110.477 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 325' ' ' ASP . . . . . 0.408 ' O ' ' HG3' ' A' ' 329' ' ' GLN . 15.1 t70 -61.84 -49.94 74.25 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.829 -0.623 . . . . 10.0 109.412 178.41 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -65.11 -39.52 93.25 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 115.614 -0.721 . . . . 10.0 109.501 178.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 327' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 323' ' ' TYR . 75.6 mt -58.54 -37.91 76.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.454 179.124 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 328' ' ' ARG . . . . . 0.427 ' HG3' ' O ' ' A' ' 324' ' ' SER . 66.5 mtt85 -62.98 -42.31 99.8 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.531 -0.544 . . . . 10.0 109.531 178.376 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 329' ' ' GLN . . . . . 0.408 ' HG3' ' O ' ' A' ' 325' ' ' ASP . 44.1 mt-30 -68.25 -41.83 80.57 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.486 -0.561 . . . . 10.0 109.486 178.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 330' ' ' ARG . . . . . 0.524 ' O ' ' HG2' ' A' ' 334' ' ' ARG . 3.8 mtt-85 -61.33 -51.0 70.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.458 -0.792 . . . . 10.0 110.128 179.374 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 91.0 mt -58.2 -46.2 86.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.058 179.545 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -58.59 -48.5 80.74 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-N 115.956 -0.565 . . . . 10.0 109.817 178.671 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -59.53 -46.64 88.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.394 -0.366 . . . . 10.0 111.259 179.353 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 334' ' ' ARG . . . . . 0.524 ' HG2' ' O ' ' A' ' 330' ' ' ARG . 8.4 mmt180 -62.28 -47.07 85.95 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.272 -0.422 . . . . 10.0 109.934 179.791 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 77.3 mt -64.46 -44.57 90.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.901 -0.59 . . . . 10.0 111.985 -179.612 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -64.3 -39.97 94.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.915 0.388 . . . . 10.0 110.803 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -64.39 -44.42 91.36 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.157 -0.683 . . . . 10.0 109.157 178.614 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 68.1 mt -71.7 -15.88 62.22 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 115.826 -0.625 . . . . 10.0 111.045 179.121 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 71.2 tttt -74.85 -44.67 47.83 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.702 -0.851 . . . . 10.0 108.702 178.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -73.99 -48.11 32.56 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.956 -0.757 . . . . 10.0 108.956 178.715 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 341' ' ' ASN . . . . . 0.592 ' O ' ' HG3' ' A' ' 345' ' ' ARG . 8.6 t30 -60.88 -49.8 76.01 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.501 -0.772 . . . . 10.0 110.387 179.254 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -62.68 -35.76 92.34 Favored Glycine 0 N--CA 1.444 -0.781 0 CA-C-N 115.732 -0.667 . . . . 10.0 111.512 179.591 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -64.43 -43.71 96.33 Favored Glycine 0 N--CA 1.45 -0.37 0 N-CA-C 110.891 -0.883 . . . . 10.0 110.891 178.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -64.07 -41.86 97.19 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 109.508 -0.553 . . . . 10.0 109.508 178.518 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 345' ' ' ARG . . . . . 0.592 ' HG3' ' O ' ' A' ' 341' ' ' ASN . 32.3 mtm180 -63.09 -40.07 96.57 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 115.801 -0.636 . . . . 10.0 110.274 178.831 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 62.4 mt -66.59 -48.01 70.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.317 179.353 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.13 -38.87 80.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.044 0.45 . . . . 10.0 110.017 179.141 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 348' ' ' GLU . . . . . 0.597 ' HB3' ' HE2' ' A' ' 352' ' ' LYS . 6.5 mt-10 -70.63 -47.41 60.23 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.385 -0.825 . . . . 10.0 110.16 178.743 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -58.56 -36.92 74.68 Favored 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 116.229 -0.441 . . . . 10.0 111.553 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -62.3 -38.5 89.64 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.085 -0.709 . . . . 10.0 109.085 178.306 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -71.71 -41.5 68.49 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.049 -0.523 . . . . 10.0 109.658 178.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 352' ' ' LYS . . . . . 0.597 ' HE2' ' HB3' ' A' ' 348' ' ' GLU . 42.8 mttm -60.97 -44.43 97.34 Favored 'General case' 0 C--N 1.338 0.102 0 CA-C-N 116.198 -0.455 . . . . 10.0 110.158 178.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -63.42 -41.52 98.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.628 -0.714 . . . . 10.0 110.293 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 27.6 m -64.82 -47.03 79.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.39 -0.368 . . . . 10.0 110.247 179.288 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -60.9 -41.64 96.46 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 109.318 -0.623 . . . . 10.0 109.318 178.527 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -63.25 -35.73 81.33 Favored 'General case' 0 C--O 1.226 -0.173 0 CA-C-N 115.788 -0.642 . . . . 10.0 109.855 178.651 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 46.2 mt -66.24 -38.79 88.73 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.402 -0.363 . . . . 10.0 110.593 179.212 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 3.9 m -61.26 -42.66 99.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.09 0.472 . . . . 10.0 110.282 179.111 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.9 -32.24 57.28 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.33 179.245 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 25.9 tp -66.81 -32.66 74.08 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.374 -0.602 . . . . 10.0 109.374 178.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 51.3 m -64.71 -26.13 68.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.727 -0.67 . . . . 10.0 110.161 178.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -71.54 -17.43 62.32 Favored 'General case' 0 C--O 1.231 0.118 0 N-CA-C 109.192 -0.67 . . . . 10.0 109.192 178.571 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 363' ' ' LYS . . . . . 0.895 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 88.2 mttt -98.34 -26.1 14.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.588 -0.733 . . . . 10.0 109.399 178.175 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -78.58 -33.59 47.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.542 -0.754 . . . . 10.0 111.785 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 365' ' ' LYS . . . . . 0.944 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 80.9 mttt -107.69 -72.0 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.449 0 N-CA-C 112.481 0.549 . . . . 10.0 112.481 179.321 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 366' ' ' PRO . . . . . 0.944 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 50.8 Cg_exo -55.9 -60.92 0.41 Allowed 'Trans proline' 0 C--N 1.357 0.985 0 C-N-CA 122.457 2.104 . . . . 10.0 112.899 -179.685 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 367' ' ' ALA . . . . . 0.895 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -59.46 -42.79 92.82 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.446 0.536 . . . . 10.0 112.446 -179.217 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 368' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 368' ' ' LEU . 5.2 mt -66.11 -42.47 89.19 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 120.809 -0.357 . . . . 10.0 111.108 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -63.68 -44.91 92.33 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.848 -0.797 . . . . 10.0 108.848 178.671 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -59.74 -40.96 89.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.374 -0.83 . . . . 10.0 109.838 179.034 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 12.4 mt -63.75 -45.81 88.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.656 -0.702 . . . . 10.0 109.922 178.655 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 84.8 mtt180 -63.21 -42.32 99.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.945 179.601 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -62.16 -31.21 71.68 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.486 -0.325 . . . . 10.0 110.916 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -86.02 -38.92 8.26 Favored Glycine 0 N--CA 1.442 -0.909 0 C-N-CA 120.465 -0.874 . . . . 10.0 111.367 179.015 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 375' ' ' LEU . . . . . 0.478 ' O ' ' HG ' ' A' ' 379' ' ' LEU . 39.1 mt -66.45 -36.34 82.54 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 111.957 0.355 . . . . 10.0 111.957 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 376' ' ' LEU . . . . . 0.612 ' O ' ' HG3' ' A' ' 380' ' ' GLU . 37.9 mt -50.1 -65.54 0.84 Allowed Pre-proline 0 CA--C 1.538 0.511 0 N-CA-C 112.607 0.595 . . . . 10.0 112.607 -179.588 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -64.98 -26.94 58.29 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 121.698 1.599 . . . . 10.0 111.448 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 2.9 t -65.94 -43.3 92.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 121.039 0.447 . . . . 10.0 109.892 179.112 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 379' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 375' ' ' LEU . 97.2 mt -67.68 -35.55 79.05 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.377 -0.601 . . . . 10.0 109.377 178.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 380' ' ' GLU . . . . . 0.612 ' HG3' ' O ' ' A' ' 376' ' ' LEU . 35.4 mt-10 -66.76 -45.73 77.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.897 -0.592 . . . . 10.0 110.643 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 1.5 p -65.9 -32.19 73.56 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 109.228 -0.656 . . . . 10.0 109.228 178.302 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 1.4 m-30 -65.52 -43.45 90.01 Favored 'General case' 0 CA--C 1.517 -0.318 0 N-CA-C 108.952 -0.758 . . . . 10.0 108.952 177.771 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 383' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' A' ' 379' ' ' LEU . 96.5 mttt -55.19 -47.75 74.8 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.247 178.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 384' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 380' ' ' GLU . 48.9 t -59.05 -40.58 81.09 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-N 115.888 -0.597 . . . . 10.0 110.138 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 11.5 m -69.13 -42.25 76.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.555 -0.748 . . . . 10.0 110.436 179.272 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -66.78 -43.36 84.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.521 -0.308 . . . . 10.0 111.117 179.586 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 387' ' ' LEU . . . . . 0.512 ' O ' ' HG3' ' A' ' 391' ' ' GLU . 61.8 mt -57.28 -53.65 55.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.436 . . . . 10.0 111.281 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 388' ' ' SER . . . . . 0.457 ' HB2' ' HE2' ' D' ' 594' ' ' LYS . 3.8 p -63.03 -38.88 92.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.11 -0.495 . . . . 10.0 111.156 -179.74 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -62.42 -41.15 98.49 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.736 0.303 . . . . 10.0 110.98 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 77.1 mt -65.15 -39.84 93.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 10.0 109.871 179.11 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 391' ' ' GLU . . . . . 0.512 ' HG3' ' O ' ' A' ' 387' ' ' LEU . 71.8 mt-10 -66.08 -36.85 84.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.036 179.188 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 392' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' A' ' 388' ' ' SER . 38.8 mm-40 -59.76 -42.0 92.29 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.42 179.064 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -62.2 -47.66 83.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.838 -0.619 . . . . 10.0 110.675 179.617 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 3.5 m -62.36 -39.64 93.8 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.253 -0.43 . . . . 10.0 111.747 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -72.03 -26.98 62.42 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 113.525 0.935 . . . . 10.0 113.525 -178.477 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 396' ' ' LYS . . . . . 0.592 ' HG2' ' HB2' ' D' ' 587' ' ' ALA . 13.7 mptt -102.61 -41.9 6.1 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 113.763 1.023 . . . . 10.0 113.763 -178.506 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 87.0 mt -77.52 -36.85 52.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.816 0.341 . . . . 10.0 110.901 -179.333 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 47.8 t30 . . . . . 0 C--N 1.323 -0.557 0 CA-C-N 116.176 -0.466 . . . . 10.0 110.93 -179.833 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 2.9 mm? . . . . . 0 N--CA 1.463 0.184 0 CA-C-O 121.156 0.503 . . . . 10.0 110.733 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -92.85 17.72 10.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.095 -0.502 . . . . 10.0 111.354 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 77.0 mt -69.97 -35.51 74.51 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.036 0.446 . . . . 10.0 110.032 179.611 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 67.2 mt -67.36 -35.75 79.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.724 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.57 -45.51 86.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.878 -0.601 . . . . 10.0 109.973 179.555 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 404' ' ' ASN . . . . . 0.421 ' O ' HG23 ' D' ' 408' ' ' VAL . 27.1 t-20 -68.87 -40.91 79.02 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.958 -0.565 . . . . 10.0 110.087 178.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 6.7 m95 -58.86 -36.5 74.7 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.857 -0.61 . . . . 10.0 110.57 179.496 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -58.76 -52.23 66.61 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.436 -0.579 . . . . 10.0 109.436 178.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.85 -36.5 76.99 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.542 -0.754 . . . . 10.0 110.62 178.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 408' ' ' VAL . . . . . 0.421 HG23 ' O ' ' D' ' 404' ' ' ASN . 79.6 t -67.55 -37.16 78.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.222 0.535 . . . . 10.0 109.846 178.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 15.8 m -67.8 -41.31 83.34 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.178 -0.675 . . . . 10.0 109.178 178.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 10.5 m -63.9 -44.78 91.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.596 179.049 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 411' ' ' THR . . . . . 0.434 ' O ' ' HG ' ' D' ' 415' ' ' LEU . 1.1 p -64.02 -32.77 74.44 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.214 0.53 . . . . 10.0 110.344 179.188 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 412' ' ' PHE . . . . . 0.439 ' HD1' HD12 ' D' ' 415' ' ' LEU . 2.1 m-85 -69.61 -39.34 77.29 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.312 -0.625 . . . . 10.0 109.312 177.753 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 27.3 m -68.29 -30.93 70.05 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.621 -0.718 . . . . 10.0 109.324 178.514 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 43.0 mmtt -67.09 -34.91 78.66 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.319 -0.623 . . . . 10.0 109.319 178.229 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 415' ' ' LEU . . . . . 0.439 HD12 ' HD1' ' D' ' 412' ' ' PHE . 87.5 mt -64.21 -39.4 93.9 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.032 -0.729 . . . . 10.0 109.032 178.572 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 416' ' ' ARG . . . . . 0.433 ' HA ' HD12 ' D' ' 419' ' ' LEU . 78.1 mtt180 -67.0 -35.34 79.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.632 -0.713 . . . . 10.0 110.665 179.39 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -64.39 -29.54 70.6 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-O 121.303 0.573 . . . . 10.0 109.584 178.398 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -84.16 -46.48 11.86 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.532 -0.758 . . . . 10.0 109.608 179.086 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 419' ' ' LEU . . . . . 0.433 HD12 ' HA ' ' D' ' 416' ' ' ARG . 59.3 mt -47.8 -42.34 25.73 Favored 'General case' 0 C--O 1.226 -0.16 0 CA-C-N 115.395 -0.821 . . . . 10.0 112.374 -179.35 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -53.4 -76.0 0.2 Allowed Glycine 0 CA--C 1.523 0.548 0 C-N-CA 120.903 -0.665 . . . . 10.0 112.629 179.646 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 421' ' ' PRO . . . . . 0.492 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 52.6 Cg_exo -57.63 -39.37 88.62 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 122.575 2.183 . . . . 10.0 112.152 179.645 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 19.5 t -58.54 -48.02 86.71 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.114 0 N-CA-C 112.307 0.484 . . . . 10.0 112.307 -179.165 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 34.2 p -68.61 -37.39 79.74 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.952 -0.299 . . . . 10.0 110.493 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -57.91 -53.3 59.76 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.07 179.334 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 425' ' ' GLU . . . . . 0.492 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 11.1 pt-20 -71.3 -27.27 63.29 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.165 -0.471 . . . . 10.0 110.777 179.27 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 426' ' ' PHE . . . . . 0.507 ' O ' ' HG ' ' D' ' 430' ' ' LEU . 42.0 t80 -65.17 -46.53 80.47 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.025 -0.732 . . . . 10.0 109.025 178.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 12.2 m95 -65.33 -36.97 85.64 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.987 -0.551 . . . . 10.0 109.866 178.656 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -66.79 -37.63 84.93 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.123 -0.695 . . . . 10.0 109.123 178.739 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 429' ' ' ASN . . . . . 0.436 ' OD1' ' HG2' ' A' ' 345' ' ' ARG . 4.4 t30 -67.98 -44.04 77.58 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.357 -0.838 . . . . 10.0 108.765 177.798 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 430' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' D' ' 426' ' ' PHE . 68.4 mt -57.81 -36.53 72.34 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 115.583 -0.735 . . . . 10.0 109.843 178.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -65.02 -44.81 87.94 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.041 178.822 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 39.7 mttp -62.83 -44.0 97.31 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.125 -0.694 . . . . 10.0 109.125 178.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 433' ' ' GLU . . . . . 0.451 ' O ' ' HG ' ' D' ' 437' ' ' LEU . 29.7 mt-10 -63.02 -55.24 27.34 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.329 -0.85 . . . . 10.0 111.016 179.31 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 434' ' ' THR . . . . . 0.461 ' HB ' ' CZ ' ' D' ' 438' ' ' ARG . 13.6 p -56.8 -51.74 67.79 Favored 'General case' 0 C--O 1.224 -0.28 0 N-CA-C 111.384 0.142 . . . . 10.0 111.384 -179.268 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 435' ' ' GLU . . . . . 0.519 ' O ' ' HG3' ' D' ' 439' ' ' GLN . 53.4 mm-40 -59.2 -45.69 90.41 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 121.08 -0.248 . . . . 10.0 111.333 179.74 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -63.51 -46.23 92.92 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.873 -0.68 . . . . 10.0 111.633 179.329 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 437' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' D' ' 433' ' ' GLU . 96.6 mt -65.55 -33.55 76.18 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.738 0.304 . . . . 10.0 110.261 179.195 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 438' ' ' ARG . . . . . 0.461 ' CZ ' ' HB ' ' D' ' 434' ' ' THR . 56.1 mtt180 -65.94 -34.04 77.21 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.272 -0.422 . . . . 10.0 110.135 179.201 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 439' ' ' GLN . . . . . 0.519 ' HG3' ' O ' ' D' ' 435' ' ' GLU . 97.3 mt-30 -65.65 -40.95 93.01 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 108.46 -0.941 . . . . 10.0 108.46 178.353 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -69.12 -43.97 73.36 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.17 -0.923 . . . . 10.0 108.865 178.161 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 441' ' ' MET . . . . . 0.409 ' HB2' ' HA ' ' D' ' 438' ' ' ARG . 67.0 mmm -57.4 -48.49 78.94 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.192 -0.913 . . . . 10.0 111.954 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 442' ' ' SER . . . . . 0.429 ' O ' ' HG2' ' D' ' 446' ' ' GLU . 3.3 p -62.44 -49.42 75.52 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.629 0.252 . . . . 10.0 110.844 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -61.38 -36.39 80.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.008 -0.542 . . . . 10.0 111.013 179.415 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 444' ' ' ASP . . . . . 0.443 ' O ' HG23 ' D' ' 448' ' ' VAL . 4.9 t0 -73.34 -54.23 8.86 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.088 -0.506 . . . . 10.0 110.236 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 79.5 mt -56.07 -46.8 78.86 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.163 0.431 . . . . 10.0 112.163 -179.27 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 446' ' ' GLU . . . . . 0.429 ' HG2' ' O ' ' D' ' 442' ' ' SER . 6.6 mm-40 -61.76 -35.95 79.61 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.859 0.362 . . . . 10.0 110.647 -179.677 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 447' ' ' GLU . . . . . 0.567 ' O ' ' HB2' ' D' ' 451' ' ' LYS . 9.8 mt-10 -74.88 -35.02 62.29 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.0 -0.546 . . . . 10.0 109.781 178.651 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 448' ' ' VAL . . . . . 0.443 HG23 ' O ' ' D' ' 444' ' ' ASP . 26.6 t -61.31 -42.28 92.97 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.299 0 CA-C-N 116.145 -0.479 . . . . 10.0 110.026 179.11 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -59.51 -43.94 93.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.137 0.494 . . . . 10.0 110.694 179.397 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -84.26 -1.88 56.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.965 -0.561 . . . . 10.0 111.851 -179.306 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 451' ' ' LYS . . . . . 0.567 ' HB2' ' O ' ' D' ' 447' ' ' GLU . 2.2 ttmm -104.7 -43.07 5.22 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.451 -0.341 . . . . 10.0 110.757 179.596 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 42.1 t -60.31 -39.18 80.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.21 -0.45 . . . . 10.0 111.27 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 453' ' ' GLN . . . . . 0.424 ' HB2' ' HD3' ' D' ' 454' ' ' PRO . 78.0 mt-30 -57.14 -61.4 7.17 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-O 119.347 -0.358 . . . . 10.0 111.783 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 454' ' ' PRO . . . . . 0.424 ' HD3' ' HB2' ' D' ' 453' ' ' GLN . 37.6 Cg_endo -67.77 -29.69 35.16 Favored 'Trans proline' 0 C--N 1.355 0.908 0 C-N-CA 121.881 1.72 . . . . 10.0 112.011 179.092 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 455' ' ' TYR . . . . . 0.446 ' HB2' ' O ' ' D' ' 451' ' ' LYS . 5.7 t80 -66.51 -47.6 72.46 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.767 -0.457 . . . . 10.0 109.767 179.365 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 19.8 mt -68.65 -32.82 72.95 Favored 'General case' 0 CA--C 1.517 -0.301 0 N-CA-C 109.299 -0.63 . . . . 10.0 109.299 178.292 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -63.99 -52.66 58.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.818 -0.628 . . . . 10.0 109.963 178.755 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -62.33 -41.43 98.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.631 -0.713 . . . . 10.0 110.739 179.38 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -67.54 -44.93 77.14 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.099 -0.5 . . . . 10.0 111.061 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -64.5 -35.76 82.01 Favored 'General case' 0 C--O 1.222 -0.351 0 C-N-CA 120.993 -0.283 . . . . 10.0 110.239 179.446 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 62.5 mttt -65.51 -39.86 92.33 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 109.11 -0.7 . . . . 10.0 109.11 178.125 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 1.9 ttmm -66.5 -40.99 89.54 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.203 -0.908 . . . . 10.0 109.44 178.241 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 50.3 m0 -65.77 -39.84 91.41 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.187 -0.672 . . . . 10.0 109.187 178.569 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -61.56 -43.55 98.65 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.085 178.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 465' ' ' GLU . . . . . 0.508 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 45.8 mt-10 -61.44 -46.54 89.67 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.317 -0.623 . . . . 10.0 109.317 178.773 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.83 -44.71 92.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.912 -0.586 . . . . 10.0 110.294 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 61.2 mtm -63.53 -37.51 87.58 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.83 0.348 . . . . 10.0 110.09 178.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -63.67 -46.83 83.82 Favored 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 108.755 -0.831 . . . . 10.0 108.755 178.25 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 469' ' ' LEU . . . . . 0.515 HD22 ' HE3' ' D' ' 473' ' ' LYS . 95.6 mt -60.37 -35.01 74.69 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.62 -0.718 . . . . 10.0 110.296 179.372 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 12.9 m-30 -63.73 -35.51 80.82 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.712 -0.477 . . . . 10.0 109.712 178.561 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 471' ' ' ARG . . . . . 0.517 ' HA ' ' HG3' ' D' ' 475' ' ' GLU . 62.2 mtt180 -74.89 -21.22 59.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.916 -0.584 . . . . 10.0 111.346 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -109.43 3.76 21.74 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.156 0.428 . . . . 10.0 112.156 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 473' ' ' LYS . . . . . 0.515 ' HE3' HD22 ' D' ' 469' ' ' LEU . 88.9 mttt -134.35 -61.41 0.78 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.545 0.202 . . . . 10.0 111.545 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 85.5 t -63.45 -38.0 81.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.703 0.287 . . . . 10.0 110.676 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 475' ' ' GLU . . . . . 0.517 ' HG3' ' HA ' ' D' ' 471' ' ' ARG . 24.2 mm-40 -59.06 -60.88 9.09 Favored Pre-proline 0 CA--C 1.537 0.457 0 CA-C-N 116.019 -0.537 . . . . 10.0 111.683 178.707 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -60.74 -37.55 77.83 Favored 'Trans proline' 0 C--N 1.354 0.851 0 C-N-CA 122.0 1.8 . . . . 10.0 110.956 178.609 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 17.0 mt -62.57 -36.8 83.82 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.35 -0.386 . . . . 10.0 110.071 179.172 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 19.4 mtt180 -59.96 -33.51 72.03 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.937 -0.394 . . . . 10.0 109.937 178.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -80.6 -46.56 15.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.716 -0.675 . . . . 10.0 110.569 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -63.07 -42.12 99.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.023 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 56.5 mt -73.47 -23.49 60.08 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 110.006 -0.368 . . . . 10.0 110.006 178.711 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -69.67 -49.56 52.41 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 108.245 -1.02 . . . . 10.0 108.245 178.259 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.13 -38.79 92.34 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.515 -0.766 . . . . 10.0 109.099 178.604 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -64.44 -42.41 97.61 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 110.95 -0.86 . . . . 10.0 110.95 178.503 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -67.3 -36.22 81.06 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 109.419 -0.586 . . . . 10.0 109.419 178.446 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 89.7 mtt180 -63.96 -41.12 97.66 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 109.219 -0.66 . . . . 10.0 109.219 178.087 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -64.71 -43.37 93.68 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 108.822 -0.807 . . . . 10.0 108.822 178.26 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -62.11 -44.8 95.85 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.986 -0.552 . . . . 10.0 109.927 179.052 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 47.6 mt -63.06 -38.36 90.88 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.556 -0.535 . . . . 10.0 109.556 178.554 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -62.41 -46.56 88.04 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.71 -0.848 . . . . 10.0 108.71 178.612 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 491' ' ' GLU . . . . . 0.411 ' O ' ' HD2' ' D' ' 495' ' ' LYS . 41.3 mt-10 -59.25 -48.18 82.58 Favored 'General case' 0 C--O 1.232 0.146 0 N-CA-C 108.669 -0.863 . . . . 10.0 108.669 178.38 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 94.3 mt -59.2 -54.59 45.2 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 115.271 -0.877 . . . . 10.0 111.625 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -59.33 -38.58 80.68 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.086 0.402 . . . . 10.0 112.086 -179.36 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -70.14 -4.83 23.24 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 121.193 0.52 . . . . 10.0 111.375 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 495' ' ' LYS . . . . . 0.478 ' HE3' HD22 ' A' ' 279' ' ' LEU . 15.5 mttp -114.26 -34.92 5.16 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.829 -0.623 . . . . 10.0 109.713 178.07 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 76.3 mt -62.18 -28.57 69.76 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 115.839 -0.619 . . . . 10.0 110.979 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 497' ' ' SER . . . . . 0.453 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 1.6 m -75.92 -63.1 0.66 Allowed Pre-proline 0 C--N 1.321 -0.64 0 C-N-CA 120.929 -0.308 . . . . 10.0 111.447 179.154 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 498' ' ' PRO . . . . . 0.453 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 27.5 Cg_endo -62.26 -49.13 6.62 Favored 'Trans proline' 0 C--N 1.356 0.971 0 C-N-CA 121.756 1.637 . . . . 10.0 112.288 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 499' ' ' LEU . . . . . 0.632 HD21 ' HG2' ' A' ' 275' ' ' LYS . 90.8 mt -69.31 -32.06 70.95 Favored 'General case' 0 CA--C 1.519 -0.217 0 N-CA-C 110.407 -0.22 . . . . 10.0 110.407 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -66.62 -50.28 49.9 Favored Glycine 0 N--CA 1.449 -0.495 0 N-CA-C 110.823 -0.911 . . . . 10.0 110.823 179.092 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 501' ' ' GLU . . . . . 0.454 ' OE2' ' HD2' ' D' ' 504' ' ' ARG . 5.5 mm-40 -63.6 -34.92 78.89 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 109.555 -0.535 . . . . 10.0 109.555 178.689 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 502' ' ' GLU . . . . . 0.551 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 32.0 tt0 -67.17 -41.8 85.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.792 -0.64 . . . . 10.0 109.553 178.576 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 503' ' ' MET . . . . . 0.532 ' HA ' ' HD2' ' D' ' 506' ' ' ARG . 64.9 mmm -64.34 -37.93 89.25 Favored 'General case' 0 CA--C 1.521 -0.151 0 N-CA-C 109.577 -0.527 . . . . 10.0 109.577 178.709 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 504' ' ' ARG . . . . . 0.454 ' HD2' ' OE2' ' D' ' 501' ' ' GLU . 75.0 mtt180 -68.08 -34.39 76.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.729 -0.669 . . . . 10.0 109.374 178.519 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -70.41 -40.21 73.99 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 109.316 -0.624 . . . . 10.0 109.316 178.363 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 506' ' ' ARG . . . . . 0.551 ' HG3' ' O ' ' D' ' 502' ' ' GLU . 46.9 mtt180 -60.7 -44.13 96.93 Favored 'General case' 0 CA--C 1.518 -0.26 0 N-CA-C 107.943 -1.132 . . . . 10.0 107.943 177.592 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -58.79 -40.64 84.61 Favored 'General case' 0 C--O 1.225 -0.23 0 CA-C-N 115.249 -0.887 . . . . 10.0 109.958 178.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 508' ' ' ARG . . . . . 0.436 HH11 ' HD2' ' D' ' 508' ' ' ARG . 57.7 mtt85 -62.73 -48.07 80.82 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.433 -0.58 . . . . 10.0 109.433 178.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 509' ' ' ALA . . . . . 0.541 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -59.68 -41.12 89.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.853 -0.612 . . . . 10.0 111.132 179.733 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 510' ' ' HIS . . . . . 0.578 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 21.9 m-70 -71.89 -47.53 52.08 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.875 179.51 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 31.2 t -63.58 -43.25 98.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.714 0.292 . . . . 10.0 111.022 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -65.64 -31.09 71.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.129 0.49 . . . . 10.0 110.062 179.146 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 513' ' ' ALA . . . . . 0.421 ' HB2' ' NZ ' ' A' ' 264' ' ' LYS . . . -69.09 -44.7 71.97 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 108.122 -1.066 . . . . 10.0 108.122 177.834 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 514' ' ' LEU . . . . . 0.673 ' HA ' ' HB2' ' D' ' 517' ' ' HIS . 90.6 mt -59.8 -26.61 65.89 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.469 -0.787 . . . . 10.0 110.657 179.031 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 515' ' ' ARG . . . . . 0.503 ' O ' ' HD3' ' D' ' 520' ' ' PRO . 76.3 mtt180 -63.91 -31.9 73.25 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.764 -0.458 . . . . 10.0 109.764 178.705 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.47 10.18 23.24 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.439 0.638 . . . . 10.0 110.215 179.507 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 517' ' ' HIS . . . . . 0.673 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 26.1 m170 -115.61 -59.98 1.93 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.89 -0.595 . . . . 10.0 110.556 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 69.6 mt -80.58 -55.42 4.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.973 -0.558 . . . . 10.0 111.622 -179.119 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 519' ' ' ALA . . . . . 0.59 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -47.93 -56.17 14.7 Favored Pre-proline 0 N--CA 1.467 0.418 0 N-CA-C 113.585 0.957 . . . . 10.0 113.585 -178.854 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 520' ' ' PRO . . . . . 0.59 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 31.9 Cg_exo -63.02 -35.6 64.62 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 121.832 1.688 . . . . 10.0 110.914 179.045 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 521' ' ' TYR . . . . . 0.502 ' HB2' ' O ' ' D' ' 517' ' ' HIS . 10.5 t80 -67.03 -36.29 81.77 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.078 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 522' ' ' SER . . . . . 0.505 ' O ' ' HG3' ' D' ' 526' ' ' ARG . 5.2 m -60.26 -39.93 88.54 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 108.437 -0.949 . . . . 10.0 108.437 178.348 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 523' ' ' ASP . . . . . 0.489 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 35.2 t70 -69.79 -42.85 73.21 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.206 -0.906 . . . . 10.0 110.243 179.45 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -64.82 -33.76 76.75 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.231 0.539 . . . . 10.0 109.704 178.543 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 525' ' ' LEU . . . . . 0.406 HD23 ' HD2' ' D' ' 528' ' ' ARG . 15.0 mt -68.58 -33.24 73.73 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-N 115.5 -0.773 . . . . 10.0 109.946 178.015 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 526' ' ' ARG . . . . . 0.505 ' HG3' ' O ' ' D' ' 522' ' ' SER . 69.7 mtt180 -58.82 -39.41 81.11 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.379 179.461 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -63.53 -43.34 97.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.841 -0.618 . . . . 10.0 109.889 179.249 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 528' ' ' ARG . . . . . 0.557 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 77.4 mtt180 -69.59 -49.15 56.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.421 -0.809 . . . . 10.0 110.433 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 92.6 mt -59.51 -35.72 74.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.931 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -66.26 -36.21 82.41 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.902 -0.407 . . . . 10.0 109.902 179.069 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -73.57 -42.68 61.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.696 -0.684 . . . . 10.0 109.178 179.306 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 532' ' ' ARG . . . . . 0.41 ' O ' ' HG ' ' D' ' 536' ' ' LEU . 18.7 ttm180 -61.73 -45.98 91.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.585 -0.734 . . . . 10.0 109.357 178.734 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 48.8 mt -66.59 -32.32 73.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.773 -0.649 . . . . 10.0 110.004 178.842 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 534' ' ' GLU . . . . . 0.47 ' HA ' ' HE3' ' D' ' 537' ' ' LYS . 37.4 tt0 -66.63 -44.98 80.57 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 108.993 -0.743 . . . . 10.0 108.993 178.518 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -62.57 -41.72 99.1 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 108.871 -0.789 . . . . 10.0 108.871 177.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 536' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' D' ' 532' ' ' ARG . 94.5 mt -66.39 -28.43 68.63 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.581 -0.736 . . . . 10.0 110.472 178.725 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 537' ' ' LYS . . . . . 0.47 ' HE3' ' HA ' ' D' ' 534' ' ' GLU . 41.8 mtmt -77.5 -43.5 31.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.356 -0.384 . . . . 10.0 110.121 178.613 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -65.79 -48.53 71.48 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 109.761 -0.459 . . . . 10.0 109.761 179.111 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -66.75 -36.31 82.15 Favored 'General case' 0 CA--C 1.512 -0.483 0 N-CA-C 108.629 -0.878 . . . . 10.0 108.629 178.18 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -62.05 -46.45 94.0 Favored Glycine 0 N--CA 1.443 -0.836 0 N-CA-C 111.292 -0.723 . . . . 10.0 111.292 179.172 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -60.21 -43.85 98.03 Favored Glycine 0 N--CA 1.449 -0.438 0 N-CA-C 111.057 -0.817 . . . . 10.0 111.057 178.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -64.76 -49.3 71.32 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.942 -0.392 . . . . 10.0 109.942 178.634 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 543' ' ' ARG . . . . . 0.457 HH11 ' HD2' ' D' ' 543' ' ' ARG . 59.2 mtt85 -61.27 -34.51 75.3 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.997 179.714 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 42.0 mt -64.92 -41.68 95.34 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.282 -0.636 . . . . 10.0 109.282 178.309 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -65.69 -43.87 87.92 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.116 -0.698 . . . . 10.0 109.116 178.337 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -62.93 -43.04 99.88 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 115.892 -0.594 . . . . 10.0 110.009 178.765 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -60.52 -47.92 84.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.684 -0.689 . . . . 10.0 110.261 179.433 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 31.5 m80 -65.35 -39.95 93.01 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.482 -0.326 . . . . 10.0 110.885 179.626 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -65.46 -47.94 74.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.4 179.381 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 550' ' ' LYS . . . . . 0.437 ' O ' ' HB2' ' D' ' 554' ' ' HIS . 10.9 mptt -66.94 -29.68 69.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.498 . . . . 10.0 110.295 179.221 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -64.62 -42.75 95.29 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.566 -0.531 . . . . 10.0 109.566 178.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -69.2 -42.75 75.36 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.393 -0.367 . . . . 10.0 110.172 178.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -60.93 -45.24 95.47 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.417 -0.586 . . . . 10.0 109.417 178.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 554' ' ' HIS . . . . . 0.437 ' HB2' ' O ' ' D' ' 550' ' ' LYS . 0.7 OUTLIER -64.94 -38.47 91.06 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.475 -0.784 . . . . 10.0 109.547 179.029 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 29.2 tp -62.09 -44.89 95.68 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.067 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 24.2 m -63.53 -42.84 98.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.044 -0.526 . . . . 10.0 109.761 178.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 9.8 m -66.83 -37.27 84.17 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.89 -0.595 . . . . 10.0 110.117 179.386 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 27.3 mt -62.17 -51.37 68.11 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.545 178.74 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 2.2 p -65.9 -36.72 84.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.604 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -61.23 -31.12 70.9 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 115.878 -0.601 . . . . 10.0 111.03 179.467 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 561' ' ' LYS . . . . . 0.409 ' O ' ' HD2' ' D' ' 564' ' ' PRO . 0.0 OUTLIER -96.47 -40.68 8.96 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 121.101 -0.24 . . . . 10.0 111.395 -179.764 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -57.64 -43.86 85.2 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.491 0.552 . . . . 10.0 112.491 -179.003 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 563' ' ' LYS . . . . . 0.736 ' HB2' ' HD3' ' D' ' 564' ' ' PRO . 94.6 mttt -56.42 -60.59 8.68 Favored Pre-proline 0 CA--C 1.536 0.408 0 N-CA-C 112.553 0.575 . . . . 10.0 112.553 -179.742 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 564' ' ' PRO . . . . . 0.736 ' HD3' ' HB2' ' D' ' 563' ' ' LYS . 31.7 Cg_exo -63.49 -41.37 26.2 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 122.155 1.903 . . . . 10.0 111.734 179.372 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -60.35 -53.57 56.0 Favored 'General case' 0 C--N 1.331 -0.201 0 O-C-N 123.284 0.365 . . . . 10.0 110.919 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 45.4 mt -60.73 -40.47 92.5 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.625 -0.262 . . . . 10.0 110.913 179.496 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -62.84 -47.28 84.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.878 0.37 . . . . 10.0 110.49 179.466 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -64.21 -38.85 92.51 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.118 179.543 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 569' ' ' LEU . . . . . 0.469 HD21 HD21 ' A' ' 206' ' ' ASN . 69.6 mt -65.92 -42.03 90.62 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.241 178.807 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 83.7 mtt180 -66.13 -46.1 78.7 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.216 0.531 . . . . 10.0 110.404 179.257 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -74.87 -6.8 51.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.676 -0.693 . . . . 10.0 110.815 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -104.39 -35.41 3.35 Favored Glycine 0 N--CA 1.451 -0.364 0 N-CA-C 111.179 -0.769 . . . . 10.0 111.179 179.297 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 573' ' ' LEU . . . . . 0.585 ' HA ' HG12 ' D' ' 576' ' ' VAL . 30.0 mt -70.39 -41.33 73.19 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.728 -0.236 . . . . 10.0 110.525 179.056 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 574' ' ' LEU . . . . . 0.42 ' O ' ' HG2' ' D' ' 578' ' ' GLU . 92.4 mt -50.44 -59.29 7.51 Favored Pre-proline 0 CA--C 1.534 0.364 0 N-CA-C 112.295 0.479 . . . . 10.0 112.295 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -68.14 -38.01 13.32 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 122.01 1.806 . . . . 10.0 112.522 179.115 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 576' ' ' VAL . . . . . 0.585 HG12 ' HA ' ' D' ' 573' ' ' LEU . 0.4 OUTLIER -64.1 -37.4 79.75 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.157 0 C-N-CA 120.905 -0.318 . . . . 10.0 110.735 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' D' D ' 577' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' D' ' 573' ' ' LEU . 67.1 mt -66.99 -37.34 84.05 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 109.103 -0.703 . . . . 10.0 109.103 178.177 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 578' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' D' ' 574' ' ' LEU . 75.6 mm-40 -61.57 -43.59 98.58 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 109.36 -0.607 . . . . 10.0 109.36 178.433 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 8.9 m -63.68 -45.33 90.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.647 -0.706 . . . . 10.0 109.531 178.759 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -60.73 -42.31 97.07 Favored 'General case' 0 C--N 1.335 -0.056 0 CA-C-N 115.899 -0.592 . . . . 10.0 110.966 179.382 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -53.88 -45.89 71.19 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 109.989 -0.375 . . . . 10.0 109.989 179.051 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 65.6 t -61.8 -49.67 83.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.932 -0.576 . . . . 10.0 111.257 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.24 -27.53 67.3 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 112.402 0.519 . . . . 10.0 112.402 -179.288 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 584' ' ' PHE . . . . . 0.449 ' O ' ' HG ' ' D' ' 588' ' ' LEU . 9.9 m-85 -80.37 -44.88 18.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.675 -0.239 . . . . 10.0 111.105 179.26 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 59.4 mt -59.85 -43.81 94.46 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.944 0.402 . . . . 10.0 110.84 179.464 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 3.4 p -64.0 -39.38 93.99 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.055 -0.52 . . . . 10.0 109.972 179.343 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 587' ' ' ALA . . . . . 0.592 ' HB2' ' HG2' ' A' ' 396' ' ' LYS . . . -63.27 -47.82 80.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.903 -0.59 . . . . 10.0 110.697 179.262 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 588' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' D' ' 584' ' ' PHE . 90.5 mt -56.39 -47.64 78.56 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.796 179.502 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -62.18 -41.94 98.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 10.0 111.118 179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 590' ' ' GLU . . . . . 0.415 ' HG3' ' NZ ' ' A' ' 396' ' ' LYS . 5.1 mm-40 -67.71 -45.69 74.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.132 -0.485 . . . . 10.0 111.889 -179.545 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -63.05 -34.55 77.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.876 0.37 . . . . 10.0 111.074 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 12.2 m -77.35 -26.83 52.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.767 179.544 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 25.6 ttmt -75.68 -42.33 51.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.102 -0.499 . . . . 10.0 109.819 179.529 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 594' ' ' LYS . . . . . 0.457 ' HE2' ' HB2' ' A' ' 388' ' ' SER . 6.1 mptt -75.09 -45.15 43.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.758 -0.656 . . . . 10.0 110.748 179.568 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 18.2 mt -97.18 64.48 1.94 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.682 -0.488 . . . . 10.0 109.682 179.492 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 . . . . . 0 C--N 1.322 -0.611 0 CA-C-N 116.098 -0.501 . . . . 10.0 111.449 -179.293 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 46.6 m . . . . . 0 N--CA 1.456 -0.171 0 CA-C-O 120.85 0.357 . . . . 10.0 110.954 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.17 128.33 55.42 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.493 -0.322 . . . . 10.0 110.154 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 73.2 tt0 -87.45 139.2 30.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.623 0.249 . . . . 10.0 110.55 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 4' ' ' TYR . . . . . 0.456 ' CD2' ' HB3' ' B' ' 51' ' ' CYS . 99.5 m-85 -131.68 109.86 10.48 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.194 179.737 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.793 ' HA ' ' HB3' ' B' ' 54' ' ' ASP . 46.4 mttm -79.61 108.26 13.02 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.266 -0.424 . . . . 10.0 110.483 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.626 HD11 HD22 ' B' ' 53' ' ' LEU . 17.6 mt -108.5 113.43 26.45 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.867 -0.606 . . . . 10.0 110.473 -179.115 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 89.5 t -100.84 123.0 53.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 N-CA-C 109.999 -0.371 . . . . 10.0 109.999 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.425 HG11 ' HB2' ' B' ' 16' ' ' LYS . 2.6 t -86.93 113.3 24.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.516 -0.55 . . . . 10.0 109.516 -179.524 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.5 m -111.64 152.63 13.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.834 -179.281 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 143.63 163.76 10.0 Favored Glycine 0 N--CA 1.444 -0.795 0 N-CA-C 111.122 -0.791 . . . . 10.0 111.122 -179.537 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.36 174.15 6.01 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.101 0.477 . . . . 10.0 111.092 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.48 145.24 27.51 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.906 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 92.94 8.29 61.92 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.975 -0.631 . . . . 10.0 112.284 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 32.0 m -90.83 -24.36 5.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.663 0.268 . . . . 10.0 111.156 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 100.33 22.56 11.42 Favored Glycine 0 CA--C 1.518 0.228 0 C-N-CA 120.921 -0.657 . . . . 10.0 113.113 179.421 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 16' ' ' LYS . . . . . 0.439 ' HE2' ' OD1' ' B' ' 57' ' ' ASP . 2.3 ptmt -65.38 -25.59 67.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.112 0.482 . . . . 10.0 111.621 -179.691 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.57 -45.85 15.28 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 109.017 -0.735 . . . . 10.0 109.017 178.359 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.17 -44.48 83.54 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.612 -0.722 . . . . 10.0 111.118 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 27.1 mt -59.5 -44.46 93.11 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.925 0.393 . . . . 10.0 110.773 179.285 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 21.6 m -65.6 -43.18 90.47 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.11 -0.495 . . . . 10.0 111.34 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 98.7 mt -62.76 -33.01 57.7 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 CA-C-O 121.118 0.485 . . . . 10.0 110.905 179.634 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 22' ' ' GLN . . . . . 0.587 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 7.5 mm-40 -70.74 -19.3 62.75 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.967 179.753 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 8.2 tp -94.12 -36.94 11.85 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.317 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.415 HD11 HD12 ' B' ' 55' ' ' ILE . 51.3 mm -82.4 -67.16 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.899 -179.324 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 25' ' ' GLN . . . . . 0.606 ' HB3' ' HD2' ' B' ' 27' ' ' HIS . 87.6 mt-30 -86.88 -13.71 44.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.763 0.316 . . . . 10.0 111.47 -179.275 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 26' ' ' ASN . . . . . 0.587 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 50.5 m-80 64.33 41.72 5.71 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 113.429 0.9 . . . . 10.0 113.429 178.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 27' ' ' HIS . . . . . 0.606 ' HD2' ' HB3' ' B' ' 25' ' ' GLN . 11.8 p80 -146.09 164.12 33.14 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.226 -0.443 . . . . 10.0 109.832 178.606 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -110.69 130.68 55.51 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.937 0.399 . . . . 10.0 111.605 -178.698 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 3.0 m -89.94 121.72 40.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.458 179.137 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -81.41 -26.38 35.44 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.028 0.442 . . . . 10.0 110.606 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -86.72 149.37 24.93 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.971 -0.559 . . . . 10.0 110.635 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -96.36 107.74 20.16 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.08 0.467 . . . . 10.0 111.618 -179.285 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -112.12 118.09 46.69 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 115.37 -0.832 . . . . 10.0 109.028 179.099 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -61.67 151.61 79.26 Favored 'Trans proline' 0 CA--C 1.533 0.462 0 C-N-CA 123.158 2.572 . . . . 10.0 112.799 -179.649 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 1.4 m -119.54 117.7 29.07 Favored 'General case' 0 C--N 1.332 -0.192 0 O-C-N 122.249 -0.282 . . . . 10.0 110.762 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 47.6 mm -88.07 -48.55 15.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 108.295 -1.002 . . . . 10.0 108.295 178.275 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -175.52 96.8 0.07 Allowed 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.478 -0.783 . . . . 10.0 109.433 179.29 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -131.89 127.29 36.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.507 -0.315 . . . . 10.0 110.31 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 22.2 p -117.47 149.31 40.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.376 -0.375 . . . . 10.0 111.308 -179.255 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -132.15 146.76 52.24 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.156 -0.474 . . . . 10.0 110.196 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 2.2 mpp_? -112.89 132.55 55.26 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.037 -0.528 . . . . 10.0 109.75 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 42' ' ' LYS . . . . . 0.424 ' HE3' ' CG1' ' B' ' 44' ' ' VAL . 54.4 tttp -143.51 125.37 15.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.754 0.311 . . . . 10.0 111.325 -179.322 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -98.94 116.58 31.49 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.434 -0.348 . . . . 10.0 110.105 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 44' ' ' VAL . . . . . 0.424 ' CG1' ' HE3' ' B' ' 42' ' ' LYS . 0.9 OUTLIER -133.28 164.35 35.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.888 0.375 . . . . 10.0 111.512 -179.152 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 21.7 t -102.61 98.58 7.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.907 -0.588 . . . . 10.0 109.504 179.356 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 46' ' ' ILE . . . . . 0.689 ' HA ' ' HD2' ' C' ' 128' ' ' LYS . 17.4 mt -108.0 122.49 62.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.969 -0.56 . . . . 10.0 110.534 -179.369 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 47' ' ' ASP . . . . . 0.561 ' H ' ' HD2' ' C' ' 128' ' ' LYS . 2.6 m-20 58.52 32.64 22.36 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.292 -0.867 . . . . 10.0 111.459 179.548 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.75 7.29 87.56 Favored Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 115.949 -0.569 . . . . 10.0 113.488 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -117.31 143.96 45.38 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.959 0.379 . . . . 10.0 111.47 -179.541 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.55 104.36 13.61 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.381 -0.599 . . . . 10.0 109.381 178.555 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 51' ' ' CYS . . . . . 0.456 ' HB3' ' CD2' ' B' ' 4' ' ' TYR . 3.5 m -105.42 136.39 45.06 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 112.356 0.502 . . . . 10.0 112.356 -178.101 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 66.2 tp -103.31 103.81 13.87 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.355 -0.98 . . . . 10.0 108.355 177.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 53' ' ' LEU . . . . . 0.626 HD22 HD11 ' B' ' 6' ' ' LEU . 51.4 mt -78.03 121.31 24.06 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 112.758 0.651 . . . . 10.0 112.758 -178.242 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 54' ' ' ASP . . . . . 0.793 ' HB3' ' HA ' ' B' ' 5' ' ' LYS . 33.9 t70 -106.9 75.95 1.07 Allowed 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 107.578 -1.267 . . . . 10.0 107.578 178.291 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 55' ' ' ILE . . . . . 0.418 ' H ' HG13 ' B' ' 55' ' ' ILE . 3.9 mt -79.09 136.38 23.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.54 -0.755 . . . . 10.0 111.581 -177.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 53.7 tp -139.03 106.41 5.53 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.714 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 57' ' ' ASP . . . . . 0.439 ' OD1' ' HE2' ' B' ' 16' ' ' LYS . 20.6 t0 -83.97 121.21 27.08 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.485 -0.561 . . . . 10.0 109.485 178.78 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 22.8 p -98.33 162.61 13.09 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.049 -0.523 . . . . 10.0 111.434 -178.681 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.91 127.07 31.8 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.738 -0.664 . . . . 10.0 110.979 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -102.35 15.87 55.77 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.716 -0.755 . . . . 10.0 111.463 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -92.48 20.72 5.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.719 0.295 . . . . 10.0 111.313 -179.593 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 59.2 -155.28 0.36 Allowed 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.872 -179.529 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 74.3 -44.74 0.57 Allowed 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.14 0.576 . . . . 10.0 111.684 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 64' ' ' TYR . . . . . 0.543 ' O ' ' HB2' ' B' ' 68' ' ' ARG . 93.4 m-85 -76.43 68.68 2.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.12 0.486 . . . . 10.0 110.833 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.77 -57.72 3.53 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.905 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.18 -20.04 52.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.033 -0.53 . . . . 10.0 111.071 -179.357 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.05 -31.96 44.71 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.712 179.7 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 68' ' ' ARG . . . . . 0.577 ' HA ' ' HD2' ' B' ' 71' ' ' TYR . 11.5 ttp180 -66.16 -31.02 71.61 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 116.134 -0.485 . . . . 10.0 111.624 -179.48 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -59.58 -37.1 77.61 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.384 0.612 . . . . 10.0 109.948 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -63.49 -39.74 95.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.331 -0.85 . . . . 10.0 111.262 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 71' ' ' TYR . . . . . 0.577 ' HD2' ' HA ' ' B' ' 68' ' ' ARG . 44.4 m-85 -71.43 -42.69 67.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.104 0.478 . . . . 10.0 110.575 179.729 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 72' ' ' MET . . . . . 0.445 ' SD ' ' HG2' ' B' ' 99' ' ' GLN . 66.2 mtt -63.22 -32.05 73.36 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.517 -0.765 . . . . 10.0 112.991 -178.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 73' ' ' ARG . . . . . 0.442 HH11 ' HD2' ' B' ' 73' ' ' ARG . 39.3 ttm180 -78.27 -4.72 49.26 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.216 0.531 . . . . 10.0 111.515 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 5.5 m -109.4 -44.41 3.91 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 122.136 -0.353 . . . . 10.0 111.366 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.59 152.28 52.25 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.787 -0.72 . . . . 10.0 113.456 -179.092 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -103.78 -48.55 3.9 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.325 0.584 . . . . 10.0 109.908 179.727 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -108.59 130.4 10.04 Favored Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 110.919 -0.872 . . . . 10.0 110.919 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 78' ' ' PHE . . . . . 0.835 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 96.9 m-85 -110.68 115.93 30.43 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.282 0.563 . . . . 10.0 111.603 -179.547 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.5 HD13 HD22 ' B' ' 159' ' ' LEU . 12.3 tp -90.1 102.6 15.31 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.563 -0.744 . . . . 10.0 109.864 179.648 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 3.6 m -85.35 94.22 8.9 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.209 -0.451 . . . . 10.0 109.873 -179.354 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 81' ' ' VAL . . . . . 0.42 HG22 ' HB ' ' B' ' 114' ' ' VAL . 42.3 t -101.06 125.49 54.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.144 -0.48 . . . . 10.0 111.341 -178.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 82' ' ' PHE . . . . . 0.798 ' HB2' ' HB2' ' B' ' 89' ' ' SER . 42.7 p90 -132.67 150.45 52.16 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.193 -0.458 . . . . 10.0 109.855 179.124 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -87.66 127.15 35.29 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.313 -0.625 . . . . 10.0 109.313 179.531 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 84' ' ' ILE . . . . . 0.732 HD11 ' HA ' ' B' ' 118' ' ' CYS . 25.0 pt -65.52 -15.47 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 112.347 0.499 . . . . 10.0 112.347 -179.225 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -89.65 -11.34 42.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.89 0.376 . . . . 10.0 110.78 179.304 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 43.4 t-20 -116.64 108.84 16.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.293 -179.323 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 3.1 m -65.38 -33.92 77.09 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.709 0.633 . . . . 10.0 112.709 -179.34 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -56.27 -44.31 79.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.464 -0.335 . . . . 10.0 111.359 -179.196 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 89' ' ' SER . . . . . 0.798 ' HB2' ' HB2' ' B' ' 82' ' ' PHE . 0.0 OUTLIER -63.81 -33.92 76.77 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.775 0.287 . . . . 10.0 111.775 -179.722 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 90' ' ' PHE . . . . . 0.412 ' HE1' ' HA ' ' B' ' 130' ' ' ALA . 71.3 t80 -67.13 -46.41 74.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.299 -0.409 . . . . 10.0 111.209 -179.383 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -73.41 -27.12 61.28 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.945 0.402 . . . . 10.0 111.467 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -71.36 -17.98 62.39 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.225 0.454 . . . . 10.0 112.225 -179.673 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 28.3 mm -53.62 -46.46 61.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.796 0.331 . . . . 10.0 110.906 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -63.83 -38.31 90.61 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.472 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -61.93 -41.51 98.03 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.029 -0.532 . . . . 10.0 111.002 -179.408 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 96' ' ' TYR . . . . . 0.403 ' O ' HG13 ' B' ' 100' ' ' ILE . 42.5 m-85 -76.6 -38.38 54.9 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.267 179.374 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 23.2 ttt180 -58.92 -46.48 87.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.016 -0.538 . . . . 10.0 111.587 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -62.51 -36.46 82.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 10.0 111.67 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 99' ' ' GLN . . . . . 0.445 ' HG2' ' SD ' ' B' ' 72' ' ' MET . 58.5 tt0 -67.39 -43.72 80.66 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.53 -0.544 . . . . 10.0 109.53 179.102 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 100' ' ' ILE . . . . . 0.403 HG13 ' O ' ' B' ' 96' ' ' TYR . 91.9 mt -57.67 -49.68 79.9 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.393 179.484 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 3.8 mtmp? -65.25 -30.93 71.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.049 -0.523 . . . . 10.0 111.216 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -72.32 -51.71 19.49 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.181 -0.463 . . . . 10.0 111.524 -179.477 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 95.8 t -64.36 -49.39 81.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.893 -0.594 . . . . 10.0 111.548 -178.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -72.83 -15.58 61.62 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.856 0.317 . . . . 10.0 111.856 -179.033 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 33.1 t0 57.87 63.86 1.68 Allowed 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.492 0.663 . . . . 10.0 111.504 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 11.0 t -160.28 157.72 28.58 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.394 -0.821 . . . . 10.0 109.477 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -97.37 -30.05 13.16 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.174 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -106.4 103.84 13.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.413 -0.358 . . . . 10.0 110.99 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 109' ' ' VAL . . . . . 0.438 ' HA ' ' HD3' ' B' ' 110' ' ' PRO . 55.2 t -118.86 131.84 24.16 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 116.197 -0.456 . . . . 10.0 109.87 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 110' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 24.7 Cg_exo -65.12 104.12 0.57 Allowed 'Trans proline' 0 C--O 1.236 0.384 0 C-N-CA 122.969 2.446 . . . . 10.0 111.474 179.312 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 111' ' ' MET . . . . . 0.835 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 66.6 mtm -139.58 153.47 47.4 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.521 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 68.2 t -133.41 131.35 57.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 109.222 -0.658 . . . . 10.0 109.222 178.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 113' ' ' LEU . . . . . 0.455 ' HB3' ' HD1' ' B' ' 141' ' ' PHE . 11.0 tp -86.2 119.07 26.09 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.735 -0.468 . . . . 10.0 109.735 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 114' ' ' VAL . . . . . 0.42 ' HB ' HG22 ' B' ' 81' ' ' VAL . 79.5 t -121.22 127.93 75.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 120.992 0.425 . . . . 10.0 111.454 -178.508 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -105.43 117.22 5.47 Favored Glycine 0 N--CA 1.446 -0.671 0 N-CA-C 110.298 -1.121 . . . . 10.0 110.298 178.646 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -100.87 166.23 10.95 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 117.147 0.474 . . . . 10.0 111.132 -179.053 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 95.9 mttt 67.1 33.93 5.35 Favored 'General case' 0 N--CA 1.462 0.17 0 O-C-N 123.705 0.628 . . . . 10.0 112.215 179.225 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 118' ' ' CYS . . . . . 0.732 ' HA ' HD11 ' B' ' 84' ' ' ILE . 54.7 m -69.64 -6.96 34.91 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.063 0.394 . . . . 10.0 112.063 179.362 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.79 -29.85 29.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.526 179.342 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 43.9 mt -65.83 127.14 92.89 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 115.911 -0.586 . . . . 10.0 111.951 -178.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -72.81 167.68 26.59 Favored 'Trans proline' 0 C--O 1.236 0.379 0 C-N-CA 122.453 2.102 . . . . 10.0 111.571 179.574 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 12.7 m 60.2 46.03 10.88 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.821 -0.627 . . . . 10.0 111.677 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 1.7 ptp180 -63.07 142.45 58.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.303 -0.862 . . . . 10.0 111.16 179.313 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.52 -46.89 8.35 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.671 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 45.7 t -87.67 122.18 39.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.385 -0.37 . . . . 10.0 110.1 179.632 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -87.2 156.42 19.68 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.105 -0.498 . . . . 10.0 109.756 179.12 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.29 -42.27 98.37 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.542 -0.299 . . . . 10.0 111.038 -179.26 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 128' ' ' LYS . . . . . 0.997 ' HB2' ' HA ' ' C' ' 47' ' ' ASP . 18.5 pttt -54.81 -50.79 67.68 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.675 0.62 . . . . 10.0 112.675 -179.219 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -69.95 -35.78 74.76 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 111.915 0.339 . . . . 10.0 111.915 -179.13 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 130' ' ' ALA . . . . . 0.412 ' HA ' ' HE1' ' B' ' 90' ' ' PHE . . . -70.96 -42.57 69.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.247 0.546 . . . . 10.0 110.872 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -70.03 -34.35 73.16 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.816 -0.629 . . . . 10.0 111.802 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -68.26 -35.47 77.95 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 109.726 -0.472 . . . . 10.0 109.726 178.323 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 16.1 tp -65.39 -43.84 89.41 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 108.825 -0.806 . . . . 10.0 108.825 178.39 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.4 -35.81 82.06 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.53 -0.759 . . . . 10.0 109.913 178.821 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -61.09 -41.09 96.02 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.782 -0.645 . . . . 10.0 110.043 179.059 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 20.1 m -72.33 -25.19 61.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.69 179.67 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 17.1 m-30 -82.78 -26.54 31.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.518 179.332 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 86.36 18.95 58.05 Favored Glycine 0 N--CA 1.45 -0.409 0 N-CA-C 111.487 -0.645 . . . . 10.0 111.487 -179.101 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 139' ' ' ILE . . . . . 0.415 ' HA ' ' HD3' ' B' ' 140' ' ' PRO . 41.8 pt -118.33 153.15 51.59 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.787 -0.206 . . . . 10.0 110.563 -179.13 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 140' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' B' ' 139' ' ' ILE . 4.0 Cg_exo -77.0 149.57 28.94 Favored 'Trans proline' 0 C--O 1.236 0.395 0 C-N-CA 122.825 2.35 . . . . 10.0 112.227 179.546 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 141' ' ' PHE . . . . . 0.455 ' HD1' ' HB3' ' B' ' 113' ' ' LEU . 88.1 t80 -120.7 130.41 54.07 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.091 -0.504 . . . . 10.0 109.912 179.082 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 28.3 mt -127.77 132.05 69.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 120.816 0.341 . . . . 10.0 111.454 -179.084 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -83.54 127.62 33.87 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 108.804 -0.813 . . . . 10.0 108.804 178.179 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 62.0 p -139.03 176.82 8.37 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.626 0.727 . . . . 10.0 112.396 -178.077 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.95 114.22 1.08 Allowed 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.228 -1.027 . . . . 10.0 108.228 178.024 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -62.65 -35.19 78.84 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.184 0.439 . . . . 10.0 112.184 -178.695 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -59.41 -45.73 90.7 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.208 0.447 . . . . 10.0 112.208 -179.036 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.73 -5.06 46.24 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.618 0.247 . . . . 10.0 111.034 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 149' ' ' ARG . . . . . 0.528 ' HG3' ' HB3' ' B' ' 22' ' ' GLN . 29.1 ttt-85 61.65 31.66 18.62 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.784 -179.385 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -84.28 120.72 26.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.563 -0.744 . . . . 10.0 111.619 -179.036 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 74.17 10.58 81.55 Favored Glycine 0 CA--C 1.52 0.383 0 N-CA-C 114.545 0.578 . . . . 10.0 114.545 178.143 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 152' ' ' VAL . . . . . 0.411 ' O ' ' HD2' ' B' ' 156' ' ' PHE . 95.5 t -62.02 -49.16 85.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 117.261 0.531 . . . . 10.0 110.99 -179.536 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -67.02 -39.97 87.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.259 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -58.32 -43.91 88.42 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.687 -0.688 . . . . 10.0 111.55 -179.146 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.43 -44.58 95.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.002 -0.544 . . . . 10.0 111.365 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 156' ' ' PHE . . . . . 0.411 ' HD2' ' O ' ' B' ' 152' ' ' VAL . 57.5 m-85 -72.15 -40.47 68.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.33 -0.395 . . . . 10.0 111.831 -179.66 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 16.3 m-30 -61.25 -47.4 86.21 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.828 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 89.2 m -61.52 -35.24 77.16 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.086 -0.506 . . . . 10.0 111.452 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 159' ' ' LEU . . . . . 0.595 HD23 HD22 ' B' ' 6' ' ' LEU . 17.5 tp -64.27 -35.89 82.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.239 -0.437 . . . . 10.0 110.473 179.469 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 92.0 t -67.25 -40.15 84.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.321 -0.4 . . . . 10.0 111.059 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.24 -34.89 75.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.413 -0.358 . . . . 10.0 111.181 -179.723 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -66.91 -30.83 71.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 10.0 111.325 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 67.0 mt -73.03 -43.53 58.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.296 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 164' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' B' ' 164' ' ' ARG . 39.8 mtt85 -63.3 -39.13 93.71 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 109.646 -0.502 . . . . 10.0 109.646 178.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 5.5 ttmt . . . . . 0 C--N 1.326 -0.448 0 CA-C-N 115.322 -0.854 . . . . 10.0 109.067 178.562 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 CA--C 1.532 0.268 0 CA-C-O 120.698 0.285 . . . . 10.0 111.285 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' C' C ' 2' ' ' THR . . . . . 0.479 ' HB ' ' CE2' ' C' ' 4' ' ' TYR . 0.2 OUTLIER -83.65 121.14 26.86 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.558 -0.292 . . . . 10.0 110.412 179.743 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -82.79 134.51 35.11 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.111 0.481 . . . . 10.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 4' ' ' TYR . . . . . 0.505 ' CD2' ' HB3' ' C' ' 51' ' ' CYS . 92.5 m-85 -129.03 109.87 11.58 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.654 -0.703 . . . . 10.0 109.533 179.304 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 5' ' ' LYS . . . . . 0.63 ' HB2' ' HG3' ' C' ' 76' ' ' GLU . 18.6 mtmm -86.27 115.09 23.59 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.225 -0.443 . . . . 10.0 111.581 -179.568 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 6' ' ' LEU . . . . . 0.489 HD13 HD23 ' C' ' 159' ' ' LEU . 68.2 mt -118.1 138.03 52.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.419 -0.355 . . . . 10.0 111.038 -179.441 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 61.9 t -117.97 131.98 69.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 116.22 -0.445 . . . . 10.0 110.049 179.3 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.605 HG12 ' HD2' ' C' ' 16' ' ' LYS . 3.0 t -93.21 110.89 23.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.065 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 11.2 m -109.99 144.51 18.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.125 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 152.81 160.0 9.38 Favored Glycine 0 N--CA 1.447 -0.604 0 N-CA-C 111.299 -0.72 . . . . 10.0 111.299 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.81 172.55 3.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.076 0.465 . . . . 10.0 111.724 -179.67 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -83.1 147.63 27.99 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.01 0.433 . . . . 10.0 110.659 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.46 -4.02 86.3 Favored Glycine 0 N--CA 1.45 -0.376 0 CA-C-N 115.909 -0.587 . . . . 10.0 113.543 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 12.6 m -80.51 -14.77 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 117.237 0.519 . . . . 10.0 112.28 -179.405 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.42 43.93 4.78 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.643 -0.789 . . . . 10.0 113.973 179.239 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 16' ' ' LYS . . . . . 0.605 ' HD2' HG12 ' C' ' 8' ' ' VAL . 31.4 mtmm -71.71 -53.03 14.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.855 0.359 . . . . 10.0 110.349 179.231 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 17.4 m -65.9 -29.96 70.48 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.55 -0.75 . . . . 10.0 111.604 -179.329 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.93 -42.92 72.85 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.829 0.347 . . . . 10.0 110.308 178.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 19' ' ' LEU . . . . . 0.774 HD23 ' HB2' ' C' ' 146' ' ' ALA . 32.3 mt -71.78 -39.18 70.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.541 179.689 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.72 -48.03 76.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.437 -0.347 . . . . 10.0 111.179 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 99.3 mt -64.54 -36.13 76.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.702 -179.634 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 22' ' ' GLN . . . . . 0.53 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 1.9 mm-40 -67.8 -20.47 65.19 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.066 0.46 . . . . 10.0 110.989 179.143 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 10.0 tp -91.79 -40.64 11.11 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.279 179.648 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 45.9 mm -77.8 -66.8 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.84 -0.618 . . . . 10.0 112.612 -179.167 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -93.43 -4.92 50.47 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.451 0.537 . . . . 10.0 112.451 -177.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 26' ' ' ASN . . . . . 0.53 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 42.6 m-80 58.24 52.73 7.13 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 113.832 1.049 . . . . 10.0 113.832 178.591 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 14.4 p80 -155.35 151.23 27.68 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 120.592 0.234 . . . . 10.0 110.966 178.33 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -96.48 131.23 43.28 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.149 -0.478 . . . . 10.0 111.272 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 9.4 m -99.11 129.18 49.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.281 179.295 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -99.44 -3.88 32.69 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.345 0.593 . . . . 10.0 110.198 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -98.05 122.88 41.72 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.529 -0.76 . . . . 10.0 110.279 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -63.01 122.02 15.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.016 -0.538 . . . . 10.0 111.936 -178.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -120.91 109.85 35.43 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.619 -0.719 . . . . 10.0 110.257 179.714 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -83.04 65.7 7.92 Favored 'Trans proline' 0 N--CA 1.456 -0.681 0 C-N-CA 123.157 2.571 . . . . 10.0 112.083 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.93 122.33 19.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.994 0.426 . . . . 10.0 110.909 179.356 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 36' ' ' ILE . . . . . 0.772 ' HA ' ' HB2' ' C' ' 59' ' ' ALA . 31.6 mm -77.38 -41.92 30.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.791 -0.641 . . . . 10.0 110.14 179.606 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -163.22 102.08 0.96 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.355 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -127.38 120.13 27.79 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.205 -0.452 . . . . 10.0 110.678 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.72 148.3 22.24 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.339 -0.391 . . . . 10.0 111.389 -179.405 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -136.61 145.47 44.92 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.28 -0.418 . . . . 10.0 110.278 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 41' ' ' ARG . . . . . 0.426 ' HA ' ' O ' ' C' ' 53' ' ' LEU . 1.5 mpp_? -122.72 144.91 48.85 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 116.791 -0.186 . . . . 10.0 110.671 179.588 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 49.6 tttp -159.52 153.77 23.71 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.199 179.516 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -126.9 120.21 28.63 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.881 -0.415 . . . . 10.0 109.881 179.12 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 4.3 m -139.28 163.06 26.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 110.366 -0.235 . . . . 10.0 110.366 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 24.5 t -97.77 96.03 4.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.204 0.526 . . . . 10.0 109.785 179.477 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 46' ' ' ILE . . . . . 0.651 HD13 HG21 ' C' ' 160' ' ' VAL . 56.7 mt -94.5 115.31 33.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.649 -0.705 . . . . 10.0 111.31 -178.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 47' ' ' ASP . . . . . 0.997 ' HA ' ' HB2' ' B' ' 128' ' ' LYS . 28.1 m-20 63.13 16.55 9.45 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.072 -0.967 . . . . 10.0 112.277 179.582 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 106.99 -10.79 40.68 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.269 -0.967 . . . . 10.0 112.411 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -103.22 131.74 50.03 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 110.133 -0.321 . . . . 10.0 110.133 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.73 109.91 12.14 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.209 -1.034 . . . . 10.0 108.209 178.185 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 51' ' ' CYS . . . . . 0.505 ' HB3' ' CD2' ' C' ' 4' ' ' TYR . 2.7 m -107.93 150.91 26.49 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.15 0.5 . . . . 10.0 112.339 -178.03 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 32.1 tp -107.29 115.21 29.76 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 108.113 -1.069 . . . . 10.0 108.113 178.04 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 53' ' ' LEU . . . . . 0.426 ' O ' ' HA ' ' C' ' 41' ' ' ARG . 73.3 mt -89.89 127.27 35.97 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 113.035 0.754 . . . . 10.0 113.035 -177.875 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -121.64 79.5 1.56 Allowed 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 106.632 -1.618 . . . . 10.0 106.632 177.796 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 4.4 mt -87.34 143.42 11.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.365 -0.834 . . . . 10.0 111.778 -177.276 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 36.6 tp -127.44 110.57 12.9 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.872 -0.604 . . . . 10.0 110.845 179.544 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -89.61 105.54 17.87 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.4 -0.593 . . . . 10.0 109.4 179.116 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 1.9 p -103.55 159.56 15.49 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.111 -0.495 . . . . 10.0 111.883 -179.427 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 59' ' ' ALA . . . . . 0.772 ' HB2' ' HA ' ' C' ' 36' ' ' ILE . . . -74.25 162.06 29.3 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.378 -179.468 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -127.41 33.47 3.29 Favored Glycine 0 N--CA 1.445 -0.704 0 N-CA-C 111.482 -0.647 . . . . 10.0 111.482 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -90.74 12.2 19.91 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.47 0.176 . . . . 10.0 111.222 -179.581 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 59.66 -164.11 0.22 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.975 -0.557 . . . . 10.0 111.434 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 70.3 -2.68 2.06 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 112.484 0.55 . . . . 10.0 112.484 179.61 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 64' ' ' TYR . . . . . 0.845 ' HB3' ' HB3' ' C' ' 67' ' ' MET . 19.9 m-85 -97.2 57.94 1.49 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.725 0.298 . . . . 10.0 110.793 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.6 -40.08 95.77 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.694 -0.684 . . . . 10.0 111.597 -179.218 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.02 -38.48 14.38 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.429 -0.351 . . . . 10.0 111.098 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 67' ' ' MET . . . . . 0.845 ' HB3' ' HB3' ' C' ' 64' ' ' TYR . 24.8 ttt -59.9 -40.94 90.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.368 -179.733 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 68' ' ' ARG . . . . . 0.481 ' HB2' ' O ' ' C' ' 64' ' ' TYR . 1.0 OUTLIER -59.44 -46.48 88.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.892 179.85 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -60.03 -30.16 68.99 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 115.765 -0.652 . . . . 10.0 112.036 -179.374 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -64.27 -60.02 3.7 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.478 0.547 . . . . 10.0 112.478 -179.192 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 71' ' ' TYR . . . . . 0.437 ' CZ ' ' HA ' ' C' ' 68' ' ' ARG . 24.5 p90 -77.42 -20.87 53.91 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 113.468 0.914 . . . . 10.0 113.468 -178.147 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 72' ' ' MET . . . . . 0.501 ' HA ' ' HZ ' ' C' ' 78' ' ' PHE . 33.0 mtt -66.39 -25.43 66.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.986 0.422 . . . . 10.0 111.361 179.505 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 73' ' ' ARG . . . . . 0.604 ' HG3' HG12 ' C' ' 103' ' ' VAL . 10.2 mtm180 -82.28 -29.25 31.29 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.813 179.05 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.81 -36.13 20.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.038 -0.528 . . . . 10.0 111.164 -179.304 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.87 130.55 36.36 Favored Glycine 0 N--CA 1.449 -0.458 0 CA-C-N 116.004 -0.544 . . . . 10.0 113.038 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 76' ' ' GLU . . . . . 0.63 ' HG3' ' HB2' ' C' ' 5' ' ' LYS . 29.6 mt-10 -92.29 -42.46 9.82 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.186 0.517 . . . . 10.0 110.029 179.722 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -120.69 138.53 12.84 Favored Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 110.378 -1.089 . . . . 10.0 110.378 178.632 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 78' ' ' PHE . . . . . 0.555 ' HB2' ' HG2' ' C' ' 111' ' ' MET . 80.9 m-85 -115.53 131.6 56.88 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.143 0.497 . . . . 10.0 111.865 -178.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 12.0 tp -103.49 104.08 14.11 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.606 -0.725 . . . . 10.0 109.975 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 3.8 m -84.19 99.36 10.48 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.791 -0.448 . . . . 10.0 109.791 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 40.1 t -105.78 131.08 56.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 10.0 111.51 -179.069 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 82' ' ' PHE . . . . . 0.508 ' HB3' HD11 ' C' ' 93' ' ' ILE . 17.4 p90 -144.38 157.61 44.17 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.961 -0.563 . . . . 10.0 109.948 179.293 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -93.9 133.09 37.68 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.28 -0.418 . . . . 10.0 110.662 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 84' ' ' ILE . . . . . 0.557 HD12 ' HB3' ' C' ' 123' ' ' ARG . 20.7 pt -68.07 -12.15 15.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.36 -0.382 . . . . 10.0 111.662 -179.621 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 40.5 p30 -104.97 13.78 30.46 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.149 0.5 . . . . 10.0 110.492 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -134.92 95.81 3.4 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.136 179.445 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 87' ' ' THR . . . . . 0.409 ' O ' ' HG3' ' C' ' 91' ' ' GLU . 6.5 m -62.07 -28.15 69.4 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.964 -0.562 . . . . 10.0 111.044 -179.772 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 23.4 tptp -55.93 -54.08 49.09 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.55 179.224 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 89' ' ' SER . . . . . 0.402 ' HA ' ' HB2' ' C' ' 92' ' ' ASP . 2.7 p -65.6 -23.0 66.72 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 116.311 -0.404 . . . . 10.0 111.671 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -68.27 -33.63 74.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.067 0.461 . . . . 10.0 110.036 179.238 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 91' ' ' GLU . . . . . 0.409 ' HG3' ' O ' ' C' ' 87' ' ' THR . 17.7 mt-10 -85.88 -21.07 28.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.178 179.45 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 92' ' ' ASP . . . . . 0.402 ' HB2' ' HA ' ' C' ' 89' ' ' SER . 2.1 m-20 -67.54 -29.19 68.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.536 -0.756 . . . . 10.0 110.763 179.334 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 93' ' ' ILE . . . . . 0.508 HD11 ' HB3' ' C' ' 82' ' ' PHE . 50.0 mm -52.31 -45.82 44.88 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.157 0 CA-C-N 115.895 -0.593 . . . . 10.0 111.123 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 42.9 t60 -59.09 -50.71 73.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 10.0 110.769 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 74.8 m-70 -56.0 -48.12 76.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.931 -0.577 . . . . 10.0 111.698 -179.374 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -65.06 -49.5 69.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.436 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 97' ' ' ARG . . . . . 0.464 ' O ' ' HG3' ' C' ' 101' ' ' LYS . 4.4 tmt_? -57.25 -48.31 79.16 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.068 -0.515 . . . . 10.0 111.951 -179.033 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 98' ' ' GLU . . . . . 0.505 ' HA ' ' HE2' ' C' ' 101' ' ' LYS . 12.8 mm-40 -66.46 -31.5 72.29 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.198 -0.455 . . . . 10.0 111.719 -179.346 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 99' ' ' GLN . . . . . 0.434 ' O ' HG23 ' C' ' 103' ' ' VAL . 46.9 tt0 -71.73 -42.19 67.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.682 0.277 . . . . 10.0 110.644 179.538 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 100' ' ' ILE . . . . . 0.465 HG21 HG11 ' C' ' 109' ' ' VAL . 75.6 mt -57.26 -43.23 81.62 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.619 179.679 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 101' ' ' LYS . . . . . 0.505 ' HE2' ' HA ' ' C' ' 98' ' ' GLU . 29.4 mtmt -59.54 -35.24 73.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.888 -0.596 . . . . 10.0 111.123 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 6.8 tmm_? -73.64 -45.28 53.69 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.037 -179.211 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 103' ' ' VAL . . . . . 0.604 HG12 ' HG3' ' C' ' 73' ' ' ARG . 36.9 t -64.47 -44.48 96.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.019 -0.537 . . . . 10.0 112.101 -179.272 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 104' ' ' LYS . . . . . 0.461 ' HD2' ' HE2' ' C' ' 78' ' ' PHE . 30.7 mtpp -88.36 -5.17 58.46 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.412 -179.415 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 30.2 t70 52.35 61.57 3.13 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.031 -0.531 . . . . 10.0 111.431 -179.516 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 43.5 t -169.31 131.82 1.22 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.736 -0.666 . . . . 10.0 110.65 -179.129 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.07 -22.81 58.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.431 0.634 . . . . 10.0 109.422 178.661 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -98.26 109.01 21.84 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.641 -0.708 . . . . 10.0 110.231 179.373 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 109' ' ' VAL . . . . . 0.465 HG11 HG21 ' C' ' 100' ' ' ILE . 94.0 t -136.44 127.08 16.47 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 115.781 -0.645 . . . . 10.0 109.665 -179.753 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -60.6 103.99 0.24 Allowed 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.661 2.241 . . . . 10.0 112.057 179.638 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 111' ' ' MET . . . . . 0.555 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 55.0 mtm -138.62 150.31 46.13 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.266 -179.732 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 86.1 t -130.75 133.97 62.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.013 -0.736 . . . . 10.0 109.013 178.804 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 12.7 tp -84.45 108.92 17.51 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.53 -0.545 . . . . 10.0 109.53 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 59.7 t -104.48 116.33 48.07 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.479 -178.59 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -98.24 119.03 6.31 Favored Glycine 0 N--CA 1.443 -0.84 0 N-CA-C 110.128 -1.189 . . . . 10.0 110.128 178.562 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 67.3 t30 -105.15 164.87 11.49 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.796 0.298 . . . . 10.0 110.996 -179.096 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 117' ' ' LYS . . . . . 0.578 ' HB3' HD12 ' C' ' 120' ' ' LEU . 89.4 mttt 67.79 28.38 7.15 Favored 'General case' 0 CA--C 1.522 -0.128 0 CA-C-N 115.36 -0.836 . . . . 10.0 112.004 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 118' ' ' CYS . . . . . 0.504 ' HA ' ' CD1' ' C' ' 84' ' ' ILE . 94.2 m -72.03 -16.34 62.05 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.81 0.67 . . . . 10.0 112.81 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -86.63 -3.8 59.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.76 0.314 . . . . 10.0 111.456 -179.583 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 120' ' ' LEU . . . . . 0.578 HD12 ' HB3' ' C' ' 117' ' ' LYS . 87.0 mt -88.22 133.2 37.36 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.243 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -63.8 144.94 90.05 Favored 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 122.361 2.041 . . . . 10.0 111.855 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 20.7 m 72.12 110.24 0.06 Allowed 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.839 -0.618 . . . . 10.0 111.964 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 123' ' ' ARG . . . . . 0.557 ' HB3' HD12 ' C' ' 84' ' ' ILE . 2.2 ptp180 -121.38 130.36 53.56 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.857 -0.61 . . . . 10.0 110.693 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -80.12 -34.93 37.41 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.242 0.544 . . . . 10.0 110.189 179.502 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 60.0 t -93.61 125.87 46.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.683 -0.689 . . . . 10.0 110.45 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -76.72 139.57 40.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.903 -0.59 . . . . 10.0 110.193 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 3.6 m -59.43 -45.51 91.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.442 -0.345 . . . . 10.0 111.014 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 128' ' ' LYS . . . . . 0.689 ' HD2' ' HA ' ' B' ' 46' ' ' ILE . 33.5 mtmm -65.04 -32.58 74.37 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.427 -179.145 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -65.74 -45.11 83.83 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.0 -0.545 . . . . 10.0 109.851 179.349 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -70.11 -35.07 73.87 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.789 -0.641 . . . . 10.0 110.385 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -65.34 -48.19 73.88 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.824 -0.625 . . . . 10.0 110.679 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -65.06 -36.48 84.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.432 . . . . 10.0 110.874 179.635 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 22.5 tp -65.44 -43.18 91.26 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 109.647 -0.501 . . . . 10.0 109.647 178.791 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.17 -34.77 78.83 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.376 -0.602 . . . . 10.0 109.376 178.733 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 7.0 tmm_? -62.47 -37.23 85.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.642 -0.708 . . . . 10.0 109.436 178.562 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 5.8 m -66.39 -40.13 89.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.781 -0.645 . . . . 10.0 111.022 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 137' ' ' TYR . . . . . 0.49 ' HB2' HG12 ' C' ' 139' ' ' ILE . 22.1 m-85 -76.9 -26.94 54.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.801 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 88.06 24.24 35.43 Favored Glycine 0 N--CA 1.45 -0.395 0 N-CA-C 111.21 -0.756 . . . . 10.0 111.21 -179.232 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 139' ' ' ILE . . . . . 0.49 HG12 ' HB2' ' C' ' 137' ' ' TYR . 47.0 pt -113.82 152.89 46.0 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 115.482 -0.359 . . . . 10.0 110.881 -179.534 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_exo -74.58 148.83 37.92 Favored 'Trans proline' 0 C--O 1.236 0.377 0 C-N-CA 122.91 2.407 . . . . 10.0 111.961 179.383 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -128.99 131.29 47.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.869 -0.605 . . . . 10.0 110.687 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 6.0 mt -139.52 127.62 26.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.169 -0.468 . . . . 10.0 111.098 179.646 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -76.83 132.18 39.05 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 108.818 -0.808 . . . . 10.0 108.818 177.537 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 11.0 p -137.67 178.5 7.06 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 113.76 1.022 . . . . 10.0 113.76 -178.046 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 11.0 t -167.42 118.4 0.87 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.084 -0.962 . . . . 10.0 109.017 179.685 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 146' ' ' ALA . . . . . 0.774 ' HB2' HD23 ' C' ' 19' ' ' LEU . . . -75.15 -31.57 61.07 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.335 0.494 . . . . 10.0 112.335 -178.657 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -65.98 -28.8 69.17 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.885 0.374 . . . . 10.0 111.647 -179.453 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 42.2 p -107.32 -3.89 19.19 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.793 0.33 . . . . 10.0 110.685 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 149' ' ' ARG . . . . . 0.411 ' HG3' HG21 ' C' ' 152' ' ' VAL . 0.2 OUTLIER 56.34 57.3 5.04 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 122.016 0.912 . . . . 10.0 110.953 -178.801 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -107.39 110.69 22.74 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.098 -0.955 . . . . 10.0 110.941 -179.319 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 64.96 29.23 74.83 Favored Glycine 0 CA--C 1.52 0.389 0 N-CA-C 114.528 0.571 . . . . 10.0 114.528 178.585 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 152' ' ' VAL . . . . . 0.411 HG21 ' HG3' ' C' ' 149' ' ' ARG . 29.6 t -66.36 -56.29 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.078 0.466 . . . . 10.0 109.947 179.734 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -67.07 -32.13 73.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.666 -0.697 . . . . 10.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -61.77 -46.24 90.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.057 -0.519 . . . . 10.0 111.913 -179.328 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -56.4 -44.91 80.74 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.92 0.39 . . . . 10.0 111.022 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 156' ' ' PHE . . . . . 0.518 ' O ' HG23 ' C' ' 160' ' ' VAL . 63.2 m-85 -69.08 -41.91 76.9 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.33 179.645 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -58.74 -43.07 90.12 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.191 0.519 . . . . 10.0 110.109 179.377 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 86.7 m -63.44 -39.54 94.76 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.615 -0.721 . . . . 10.0 111.603 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 159' ' ' LEU . . . . . 0.489 HD23 HD13 ' C' ' 6' ' ' LEU . 13.5 tp -63.05 -36.95 85.27 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-O 120.961 0.41 . . . . 10.0 111.244 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 160' ' ' VAL . . . . . 0.651 HG21 HD13 ' C' ' 46' ' ' ILE . 22.7 t -66.9 -36.2 76.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 N-CA-C 109.695 -0.483 . . . . 10.0 109.695 178.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -63.2 -38.77 92.49 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 115.717 -0.674 . . . . 10.0 110.253 179.499 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -66.15 -38.68 88.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.027 -0.533 . . . . 10.0 109.996 179.108 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 82.5 mt -64.13 -48.07 87.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.162 178.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 44.2 mtt85 -65.78 -35.25 80.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.241 0.543 . . . . 10.0 109.621 179.113 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -62.69 -47.91 81.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.384 -0.826 . . . . 10.0 110.189 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 46.0 t-80 -59.17 -44.73 92.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 10.0 111.166 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 96.2 mttt . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.485 -0.325 . . . . 10.0 111.356 179.867 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 5.1 tmtm? . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.7 0.286 . . . . 10.0 111.356 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 203' ' ' LEU . . . . . 0.428 ' O ' ' HB2' ' A' ' 207' ' ' TRP . 36.7 mt -62.59 -36.09 81.59 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.201 0.445 . . . . 10.0 112.201 -179.352 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 71.5 mt -74.99 -52.53 10.89 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.786 0.327 . . . . 10.0 110.968 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -57.82 -44.22 86.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.73 -0.668 . . . . 10.0 112.118 -179.414 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -74.38 -18.18 60.71 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.071 0.463 . . . . 10.0 111.76 -179.63 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 207' ' ' TRP . . . . . 0.428 ' HB2' ' O ' ' A' ' 203' ' ' LEU . 35.6 t90 -77.67 -28.94 51.32 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.068 0.461 . . . . 10.0 110.146 179.637 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -63.61 -36.71 84.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.682 179.639 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.67 -39.4 94.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.342 179.607 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 40.1 t -68.7 -43.3 83.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 109.53 -0.545 . . . . 10.0 109.53 179.328 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 23.0 m -61.94 -44.86 95.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.364 -0.835 . . . . 10.0 111.51 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 4.2 p -64.25 -35.51 81.06 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.87 0.367 . . . . 10.0 110.51 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 30.7 m -64.32 -47.28 79.99 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 108.962 -0.755 . . . . 10.0 108.962 178.79 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -60.85 -38.77 86.68 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.152 -0.476 . . . . 10.0 111.201 179.155 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 215' ' ' SER . . . . . 0.479 ' O ' ' HG3' ' A' ' 219' ' ' GLU . 60.5 m -62.35 -49.42 75.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.787 0.327 . . . . 10.0 110.412 178.863 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 41.9 mttt -65.52 -35.25 80.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.893 0.378 . . . . 10.0 110.33 179.114 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 217' ' ' LEU . . . . . 0.538 ' O ' ' HG ' ' A' ' 221' ' ' LEU . 58.9 mt -63.11 -40.92 99.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 10.0 109.916 178.534 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 78.3 mtt180 -67.89 -34.78 77.31 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.521 -0.309 . . . . 10.0 110.506 179.455 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 219' ' ' GLU . . . . . 0.479 ' HG3' ' O ' ' A' ' 215' ' ' SER . 55.3 mt-10 -66.52 -31.44 72.17 Favored 'General case' 0 C--O 1.225 -0.219 0 N-CA-C 108.969 -0.752 . . . . 10.0 108.969 178.589 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -82.28 -31.1 30.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.354 -0.839 . . . . 10.0 109.737 178.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 221' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 217' ' ' LEU . 38.9 mt -59.29 -33.73 71.44 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.426 179.607 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -53.87 -67.03 2.36 Favored Glycine 0 C--N 1.335 0.493 0 N-CA-C 110.717 -0.953 . . . . 10.0 110.717 177.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -56.44 -42.12 68.96 Favored 'Trans proline' 0 N--CA 1.464 -0.252 0 C-N-CA 122.475 2.117 . . . . 10.0 110.87 177.641 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 15.5 t -53.74 -51.42 44.04 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.145 0 CA-C-N 116.552 -0.295 . . . . 10.0 111.152 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 17.7 p -66.5 -37.4 84.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.737 0.303 . . . . 10.0 110.739 179.183 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -63.54 -52.88 59.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.413 -0.358 . . . . 10.0 110.75 179.267 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -60.53 -44.22 96.3 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.339 0.59 . . . . 10.0 109.9 179.57 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 228' ' ' PHE . . . . . 0.582 ' O ' ' HG ' ' A' ' 232' ' ' LEU . 3.6 t80 -63.17 -48.07 79.95 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.567 -0.742 . . . . 10.0 110.77 179.571 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -62.48 -39.35 93.17 Favored 'General case' 0 C--N 1.331 -0.219 0 O-C-N 123.435 0.46 . . . . 10.0 110.284 179.61 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -61.07 -45.65 93.9 Favored 'General case' 0 C--O 1.237 0.417 0 N-CA-C 109.141 -0.688 . . . . 10.0 109.141 178.41 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -64.26 -40.64 96.42 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.463 -0.79 . . . . 10.0 109.612 178.459 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 232' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' ' 228' ' ' PHE . 95.8 mt -61.78 -35.94 79.61 Favored 'General case' 0 N--CA 1.461 0.086 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.152 178.874 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 233' ' ' GLU . . . . . 0.519 ' O ' ' HB2' ' A' ' 237' ' ' GLU . 9.9 mm-40 -63.55 -37.89 89.04 Favored 'General case' 0 CA--C 1.52 -0.19 0 N-CA-C 109.765 -0.458 . . . . 10.0 109.765 178.397 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 68.6 mttt -73.49 -37.89 65.58 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.529 -0.545 . . . . 10.0 109.529 178.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.62 -46.83 83.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.521 -0.763 . . . . 10.0 109.871 179.544 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 21.4 p -72.18 -28.41 63.2 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.888 -0.596 . . . . 10.0 110.343 179.156 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 237' ' ' GLU . . . . . 0.519 ' HB2' ' O ' ' A' ' 233' ' ' GLU . 0.5 OUTLIER -62.86 -45.63 91.67 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 108.506 -0.924 . . . . 10.0 108.506 178.538 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -63.01 -41.77 99.82 Favored Glycine 0 N--CA 1.44 -1.05 0 N-CA-C 110.287 -1.125 . . . . 10.0 110.287 178.353 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 87.4 mt -64.52 -38.12 89.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.66 0.267 . . . . 10.0 110.479 179.6 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 18.8 mtm180 -65.69 -38.42 89.2 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 110.097 -0.335 . . . . 10.0 110.097 178.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -69.23 -39.95 78.22 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.227 -0.657 . . . . 10.0 109.227 178.517 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 242' ' ' GLU . . . . . 0.431 ' HA ' ' HD2' ' A' ' 245' ' ' LYS . 4.6 mt-10 -73.62 -18.76 61.01 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.685 -0.689 . . . . 10.0 111.001 179.562 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 243' ' ' MET . . . . . 0.555 ' HG3' HD12 ' A' ' 247' ' ' LEU . 42.6 ttm -62.59 -30.3 71.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.374 0.607 . . . . 10.0 109.476 178.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.41 4.55 20.52 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.513 -0.767 . . . . 10.0 110.335 179.121 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 245' ' ' LYS . . . . . 0.431 ' HD2' ' HA ' ' A' ' 242' ' ' GLU . 41.4 mttm -127.15 -63.87 1.03 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.343 -0.39 . . . . 10.0 110.179 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 246' ' ' ASP . . . . . 0.57 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 0.6 OUTLIER -51.47 -50.08 60.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.465 -0.789 . . . . 10.0 111.667 -179.377 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 247' ' ' LEU . . . . . 0.555 HD12 ' HG3' ' A' ' 243' ' ' MET . 94.6 mt -87.07 -37.0 17.83 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.428 0.529 . . . . 10.0 112.428 -179.495 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -65.88 -51.53 57.98 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.795 0.331 . . . . 10.0 111.472 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -68.64 -33.93 74.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.525 -0.307 . . . . 10.0 111.215 -179.646 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 250' ' ' VAL . . . . . 0.703 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 1.1 p -64.25 -33.81 64.98 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.169 0 C-N-CA 120.394 -0.522 . . . . 10.0 110.192 179.273 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 251' ' ' LYS . . . . . 0.47 ' O ' HG12 ' A' ' 254' ' ' VAL . 84.2 mttt -82.3 -40.75 21.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.556 179.372 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -62.04 -37.55 85.35 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.761 -0.459 . . . . 10.0 109.761 179.101 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -89.08 -18.56 27.02 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.627 -0.715 . . . . 10.0 111.732 179.615 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 254' ' ' VAL . . . . . 0.703 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.4 OUTLIER -64.83 -27.54 42.7 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 C-N-CA 120.753 -0.379 . . . . 10.0 110.74 -179.594 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 255' ' ' GLN . . . . . 0.47 ' HB2' ' CD ' ' A' ' 256' ' ' PRO . 68.7 mt-30 -65.67 -62.02 5.0 Favored Pre-proline 0 CA--C 1.535 0.368 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.625 178.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 256' ' ' PRO . . . . . 0.47 ' CD ' ' HB2' ' A' ' 255' ' ' GLN . 18.8 Cg_endo -61.77 -34.71 82.4 Favored 'Trans proline' 0 C--N 1.356 0.958 0 C-N-CA 121.69 1.593 . . . . 10.0 111.528 178.458 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 6.2 m-30 -62.23 -51.27 68.44 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.928 0.394 . . . . 10.0 110.474 179.379 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 22.9 mt -69.3 -39.46 78.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.953 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 259' ' ' ASP . . . . . 0.561 ' O ' ' HB2' ' A' ' 263' ' ' LYS . 32.1 t70 -60.77 -45.42 94.4 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.346 -0.388 . . . . 10.0 110.528 179.615 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -66.85 -50.64 61.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.223 -0.444 . . . . 10.0 111.211 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -63.89 -48.04 78.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.291 -0.413 . . . . 10.0 112.104 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -64.0 -30.59 71.65 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.6 0.238 . . . . 10.0 110.444 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 263' ' ' LYS . . . . . 0.561 ' HB2' ' O ' ' A' ' 259' ' ' ASP . 23.1 ttmt -63.18 -47.72 81.41 Favored 'General case' 0 CA--C 1.52 -0.195 0 N-CA-C 109.048 -0.723 . . . . 10.0 109.048 178.447 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 264' ' ' LYS . . . . . 0.593 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 70.5 mttt -69.51 -39.17 77.74 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.182 -0.917 . . . . 10.0 110.395 178.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 20.7 m95 -64.17 -36.02 82.68 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.484 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -63.74 -43.65 95.84 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 108.741 -0.837 . . . . 10.0 108.741 177.765 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 267' ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' A' ' 263' ' ' LYS . 39.3 mt-10 -64.16 -39.35 93.82 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 109.079 -0.712 . . . . 10.0 109.079 178.317 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 268' ' ' GLU . . . . . 0.522 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 11.6 mt-10 -58.64 -45.45 89.24 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.936 -0.574 . . . . 10.0 109.499 178.776 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 92.3 mmm -68.44 -43.14 77.72 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.513 -0.767 . . . . 10.0 110.613 179.495 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -60.59 -53.52 56.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.297 -0.41 . . . . 10.0 110.155 179.183 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 32.7 mt -59.33 -38.92 81.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.339 -0.391 . . . . 10.0 110.417 179.384 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 272' ' ' TYR . . . . . 0.425 ' O ' HG23 ' A' ' 276' ' ' VAL . 0.1 OUTLIER -61.2 -50.65 72.28 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.128 178.894 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -66.58 -31.09 71.57 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.326 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 -67.79 -24.34 65.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.171 0.51 . . . . 10.0 109.954 178.678 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 275' ' ' LYS . . . . . 0.563 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 10.2 mptt -96.31 -38.8 9.94 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.564 -0.743 . . . . 10.0 110.322 178.857 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 276' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 272' ' ' TYR . 13.9 t -48.71 -49.21 14.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 N-CA-C 112.685 0.624 . . . . 10.0 112.685 -179.262 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 69.0 mt-10 -58.52 -60.71 9.45 Favored Pre-proline 0 CA--C 1.537 0.468 0 N-CA-C 113.427 0.899 . . . . 10.0 113.427 -179.096 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -63.37 -39.91 34.64 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 121.893 1.729 . . . . 10.0 112.466 179.01 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 279' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 275' ' ' LYS . 37.7 mt -65.4 -41.22 93.86 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 121.209 -0.196 . . . . 10.0 110.961 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 -64.85 -32.16 73.72 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.35 -0.611 . . . . 10.0 109.35 178.637 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -65.45 -44.07 88.41 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.298 -0.63 . . . . 10.0 109.298 178.477 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -63.18 -46.21 88.17 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 115.59 -0.732 . . . . 10.0 109.235 178.501 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 283' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 279' ' ' LEU . 81.1 mt -66.02 -31.57 72.53 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.665 179.482 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -67.07 -48.66 67.56 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 109.2 -0.667 . . . . 10.0 109.2 179.117 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -67.12 -40.04 86.75 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.406 -0.59 . . . . 10.0 109.406 178.822 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -61.33 -46.05 95.22 Favored Glycine 0 N--CA 1.443 -0.887 0 N-CA-C 110.577 -1.009 . . . . 10.0 110.577 178.338 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -64.04 -38.76 92.23 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.845 -0.428 . . . . 10.0 109.845 178.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -58.26 -55.54 33.62 Favored 'General case' 0 C--O 1.223 -0.327 0 N-CA-C 109.447 -0.575 . . . . 10.0 109.447 178.721 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -60.95 -48.13 83.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.774 -0.648 . . . . 10.0 111.583 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 50.5 mttp -59.48 -42.39 91.99 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.646 0.26 . . . . 10.0 111.622 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 81.0 mt -74.99 -36.4 62.0 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.447 -0.342 . . . . 10.0 110.71 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 292' ' ' HIS . . . . . 0.572 ' O ' ' HG2' ' A' ' 296' ' ' GLU . 13.3 m170 -62.93 -46.64 86.84 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 109.387 -0.597 . . . . 10.0 109.387 178.718 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.81 -38.5 82.14 Favored 'General case' 0 N--CA 1.456 -0.165 0 O-C-N 123.739 0.649 . . . . 10.0 109.748 178.397 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 19.7 mt -65.44 -46.9 78.06 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 115.912 -0.586 . . . . 10.0 109.933 178.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 295' ' ' GLN . . . . . 0.491 ' HA ' ' HB2' ' A' ' 298' ' ' LEU . 40.6 mt-30 -64.23 -30.63 71.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.162 -0.472 . . . . 10.0 111.244 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 296' ' ' GLU . . . . . 0.572 ' HG2' ' O ' ' A' ' 292' ' ' HIS . 34.9 mm-40 -63.38 -19.41 64.63 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.059 -0.518 . . . . 10.0 110.069 178.36 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 297' ' ' LYS . . . . . 0.57 ' HB3' HD12 ' A' ' 301' ' ' LEU . 32.8 mmtp -107.08 -38.19 6.09 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.638 -0.71 . . . . 10.0 110.191 178.872 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 298' ' ' LEU . . . . . 0.491 ' HB2' ' HA ' ' A' ' 295' ' ' GLN . 72.5 mt -55.52 -27.03 46.33 Favored 'General case' 0 N--CA 1.462 0.161 0 C-N-CA 122.537 0.335 . . . . 10.0 111.851 -179.69 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 299' ' ' SER . . . . . 0.474 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 5.0 m -79.31 -64.86 0.32 Allowed Pre-proline 0 CA--C 1.54 0.594 0 N-CA-C 111.887 0.328 . . . . 10.0 111.887 179.344 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 300' ' ' PRO . . . . . 0.474 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 34.2 Cg_endo -63.57 -43.82 16.05 Favored 'Trans proline' 0 C--N 1.355 0.904 0 C-N-CA 122.164 1.909 . . . . 10.0 112.183 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 301' ' ' LEU . . . . . 0.92 ' HB3' ' HE3' ' D' ' 473' ' ' LYS . 80.8 mt -71.99 -27.69 62.92 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.76 -0.459 . . . . 10.0 109.76 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 302' ' ' GLY . . . . . 0.442 ' O ' ' HG3' ' A' ' 306' ' ' ARG . . . -69.68 -52.88 18.34 Favored Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 111.087 -0.805 . . . . 10.0 111.087 179.265 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -61.97 -39.14 91.13 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 109.33 -0.618 . . . . 10.0 109.33 179.01 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -63.73 -39.18 93.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.52 -0.764 . . . . 10.0 109.781 178.462 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 8.2 tpt -65.68 -39.19 91.05 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.816 -0.438 . . . . 10.0 109.816 179.45 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 306' ' ' ARG . . . . . 0.454 ' O ' ' HG3' ' A' ' 310' ' ' ARG . 45.3 mtt180 -68.26 -43.14 78.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.881 -0.599 . . . . 10.0 109.643 179.027 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 307' ' ' ASP . . . . . 0.469 ' O ' ' HB2' ' A' ' 310' ' ' ARG . 21.9 t70 -64.68 -43.25 94.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.801 -0.636 . . . . 10.0 110.417 179.172 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 308' ' ' ARG . . . . . 0.658 ' HG3' HD21 ' D' ' 469' ' ' LEU . 7.6 mmt180 -65.2 -35.09 79.98 Favored 'General case' 0 CA--C 1.517 -0.307 0 N-CA-C 109.423 -0.584 . . . . 10.0 109.423 178.544 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 309' ' ' ALA . . . . . 0.576 ' HA ' ' HB2' ' A' ' 312' ' ' HIS . . . -68.24 -31.82 71.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.743 -0.662 . . . . 10.0 109.447 178.15 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 310' ' ' ARG . . . . . 0.524 ' O ' ' HB2' ' A' ' 314' ' ' ASP . 71.7 mtt180 -60.47 -51.48 69.29 Favored 'General case' 0 C--O 1.224 -0.27 0 N-CA-C 108.792 -0.818 . . . . 10.0 108.792 178.371 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -67.25 -34.25 77.05 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.065 -0.516 . . . . 10.0 109.93 179.137 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 312' ' ' HIS . . . . . 0.576 ' HB2' ' HA ' ' A' ' 309' ' ' ALA . 0.1 OUTLIER -58.69 -53.09 62.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.408 -0.815 . . . . 10.0 110.07 178.894 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 26.3 t -76.64 -35.25 25.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.72 -0.673 . . . . 10.0 111.852 -179.568 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 314' ' ' ASP . . . . . 0.524 ' HB2' ' O ' ' A' ' 310' ' ' ARG . 0.4 OUTLIER -61.1 -43.13 99.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.931 0.396 . . . . 10.0 110.002 179.257 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -66.77 -35.53 80.3 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 109.194 -0.669 . . . . 10.0 109.194 178.361 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 316' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 316' ' ' LEU . 17.2 mt -65.3 -47.11 77.74 Favored 'General case' 0 C--O 1.224 -0.248 0 CA-C-N 115.625 -0.716 . . . . 10.0 109.742 178.492 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 12.2 mtm105 -61.37 -41.6 97.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.126 0.488 . . . . 10.0 110.147 178.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 93.7 m -60.85 -32.64 72.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.628 -0.715 . . . . 10.0 110.6 179.173 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 12.2 m80 -87.31 -38.12 16.54 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.275 -0.42 . . . . 10.0 111.024 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 72.9 mt -67.14 -34.52 77.75 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.291 0.478 . . . . 10.0 112.291 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 321' ' ' ALA . . . . . 0.432 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -52.64 -59.24 9.2 Favored Pre-proline 0 CA--C 1.537 0.451 0 N-CA-C 112.466 0.543 . . . . 10.0 112.466 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 322' ' ' PRO . . . . . 0.432 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 44.2 Cg_endo -70.73 -36.36 8.34 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 121.495 1.463 . . . . 10.0 111.422 179.016 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 323' ' ' TYR . . . . . 0.533 ' OH ' ' HB2' ' D' ' 454' ' ' PRO . 11.0 m-30 -60.15 -45.37 93.3 Favored 'General case' 0 C--N 1.334 -0.086 0 CA-C-N 116.455 -0.339 . . . . 10.0 111.703 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 23.2 p -65.18 -36.01 82.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.785 0.326 . . . . 10.0 110.5 179.543 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 325' ' ' ASP . . . . . 0.71 ' HA ' ' HD2' ' A' ' 328' ' ' ARG . 0.4 OUTLIER -67.91 -43.41 79.3 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-O 121.02 0.438 . . . . 10.0 110.204 179.168 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -67.41 -31.77 72.21 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.349 -0.612 . . . . 10.0 109.349 178.061 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 12.3 mt -66.3 -35.56 80.71 Favored 'General case' 0 CA--C 1.519 -0.236 0 N-CA-C 109.116 -0.698 . . . . 10.0 109.116 177.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 328' ' ' ARG . . . . . 0.71 ' HD2' ' HA ' ' A' ' 325' ' ' ASP . 86.3 mtt180 -62.89 -40.37 97.32 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.688 -0.856 . . . . 10.0 108.688 178.311 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -67.09 -39.36 86.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.471 -0.786 . . . . 10.0 109.381 178.777 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 330' ' ' ARG . . . . . 0.548 HH21 ' HB3' ' D' ' 447' ' ' GLU . 46.0 mtt-85 -62.38 -54.33 41.92 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 115.815 -0.63 . . . . 10.0 110.016 179.082 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 86.1 mt -60.56 -35.75 76.82 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.651 -0.704 . . . . 10.0 111.292 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -63.59 -51.46 65.2 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.017 179.057 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -60.91 -42.18 97.57 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.274 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 27.1 mmt180 -61.03 -49.64 76.59 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-N 115.753 -0.658 . . . . 10.0 109.86 178.769 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 16.4 mt -59.37 -43.51 92.86 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 116.27 -0.423 . . . . 10.0 111.433 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -63.79 -43.55 95.98 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.472 -0.331 . . . . 10.0 111.047 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -65.51 -42.75 91.72 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.555 -0.535 . . . . 10.0 109.555 178.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 80.0 mt -65.36 -26.19 67.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.425 -0.807 . . . . 10.0 110.786 179.253 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 71.3 mttt -82.2 -49.53 10.02 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.847 -0.161 . . . . 10.0 110.86 179.335 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -59.56 -51.57 69.28 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.159 0.504 . . . . 10.0 110.072 179.694 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -73.23 -31.3 64.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.795 -0.639 . . . . 10.0 109.8 179.234 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -62.67 -44.64 97.22 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 121.088 -0.577 . . . . 10.0 111.903 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -62.95 -39.23 97.8 Favored Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 110.483 -1.047 . . . . 10.0 110.483 178.797 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -65.11 -41.77 94.59 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.705 -0.48 . . . . 10.0 109.705 178.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 345' ' ' ARG . . . . . 0.449 HH11 ' HD3' ' A' ' 345' ' ' ARG . 23.3 mtm180 -65.52 -45.32 83.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.568 -0.742 . . . . 10.0 110.754 179.226 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 346' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 346' ' ' LEU . 22.0 mt -59.66 -49.59 77.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.416 -0.356 . . . . 10.0 110.615 179.376 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.88 -41.44 87.13 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.303 179.237 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -65.48 -45.01 85.31 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.563 179.374 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -66.25 -37.17 84.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.344 -0.389 . . . . 10.0 111.046 179.764 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 32.0 m-70 -63.86 -41.01 97.88 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.201 -0.666 . . . . 10.0 109.201 178.22 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -67.94 -44.97 75.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.861 -0.609 . . . . 10.0 109.605 178.679 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 12.8 mtmm -60.52 -40.41 91.32 Favored 'General case' 0 C--O 1.226 -0.182 0 CA-C-N 116.049 -0.523 . . . . 10.0 110.172 179.004 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -62.68 -34.34 76.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.214 -0.448 . . . . 10.0 109.957 178.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 12.8 m -68.31 -37.59 80.74 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.032 -0.729 . . . . 10.0 109.032 178.576 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -68.94 -34.61 75.64 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.404 -0.591 . . . . 10.0 109.404 178.158 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -73.08 -29.58 63.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.646 -0.706 . . . . 10.0 109.549 178.371 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 17.9 mt -71.27 -41.99 69.33 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.924 -0.58 . . . . 10.0 111.358 179.303 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.49 -45.48 92.84 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.005 0.431 . . . . 10.0 110.043 179.605 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 1.9 p -71.26 -29.96 65.72 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.065 179.316 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 38.7 tp -68.62 -35.01 76.74 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 108.887 -0.783 . . . . 10.0 108.887 177.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 49.5 m -63.03 -32.0 73.27 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.807 -0.633 . . . . 10.0 109.775 178.748 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 362' ' ' GLU . . . . . 0.442 ' HA ' ' HD2' ' A' ' 366' ' ' PRO . 5.3 mm-40 -70.63 -20.55 62.72 Favored 'General case' 0 CA--C 1.522 -0.1 0 CA-C-N 115.96 -0.563 . . . . 10.0 109.681 178.699 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 363' ' ' LYS . . . . . 0.692 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 89.3 mttt -91.68 -46.94 7.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.719 -0.673 . . . . 10.0 109.6 179.196 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 364' ' ' ALA . . . . . 0.516 ' HA ' HD12 ' A' ' 368' ' ' LEU . . . -67.19 -31.11 71.29 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.681 -0.69 . . . . 10.0 112.388 -179.54 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 365' ' ' LYS . . . . . 0.803 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 51.0 mtmt -102.66 -79.2 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.509 0 N-CA-C 113.867 1.062 . . . . 10.0 113.867 -179.687 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 366' ' ' PRO . . . . . 0.803 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 32.2 Cg_exo -59.15 -53.27 3.76 Favored 'Trans proline' 0 C--N 1.356 0.923 0 C-N-CA 122.101 1.867 . . . . 10.0 114.052 -178.667 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 367' ' ' ALA . . . . . 0.692 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -58.87 -53.52 57.48 Favored 'General case' 0 C--N 1.333 -0.135 0 N-CA-C 111.541 0.2 . . . . 10.0 111.541 -179.433 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 368' ' ' LEU . . . . . 0.516 HD12 ' HA ' ' A' ' 364' ' ' ALA . 10.6 mt -60.63 -37.36 81.22 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-N 116.703 -0.226 . . . . 10.0 111.035 179.624 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.8 -53.18 60.98 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.826 -0.435 . . . . 10.0 109.826 178.657 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -59.78 -40.35 87.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.732 -0.667 . . . . 10.0 110.334 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 96.1 mt -66.46 -41.36 89.17 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.784 -0.644 . . . . 10.0 110.765 179.194 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 372' ' ' ARG . . . . . 0.45 ' O ' ' HG ' ' A' ' 376' ' ' LEU . 89.4 mtt180 -66.82 -44.59 80.78 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.834 -0.432 . . . . 10.0 109.834 179.279 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -63.92 -29.32 70.51 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.58 -0.737 . . . . 10.0 110.129 179.234 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 374' ' ' GLY . . . . . 0.401 ' O ' HG23 ' A' ' 378' ' ' VAL . . . -83.15 -28.78 35.89 Favored Glycine 0 N--CA 1.449 -0.461 0 N-CA-C 110.981 -0.848 . . . . 10.0 110.981 178.59 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 9.3 mt -73.45 -28.3 61.88 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 122.24 0.216 . . . . 10.0 111.009 179.593 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 376' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 372' ' ' ARG . 71.6 mt -53.61 -59.78 8.72 Favored Pre-proline 0 CA--C 1.534 0.356 0 CA-C-N 116.158 -0.474 . . . . 10.0 111.148 179.429 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 377' ' ' PRO . . . . . 0.415 ' HD3' ' HB2' ' A' ' 376' ' ' LEU . 29.3 Cg_endo -65.34 -26.79 55.73 Favored 'Trans proline' 0 C--N 1.355 0.87 0 C-N-CA 121.774 1.649 . . . . 10.0 111.059 178.48 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 378' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 374' ' ' GLY . 18.7 t -62.86 -51.22 74.65 Favored 'Isoleucine or valine' 0 C--O 1.231 0.125 0 N-CA-C 108.828 -0.805 . . . . 10.0 108.828 178.456 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 379' ' ' LEU . . . . . 0.411 ' O ' ' HG3' ' A' ' 383' ' ' LYS . 91.3 mt -61.83 -36.51 81.37 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.256 -0.646 . . . . 10.0 109.256 178.641 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 380' ' ' GLU . . . . . 0.43 ' O ' HG23 ' A' ' 384' ' ' VAL . 6.9 mm-40 -62.28 -49.5 75.41 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.493 178.793 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 7.6 p -65.26 -33.58 76.32 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 120.914 0.387 . . . . 10.0 110.702 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -70.82 -38.84 73.29 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.98 -0.555 . . . . 10.0 111.037 179.613 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 383' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' A' ' 379' ' ' LEU . 93.4 mttt -58.28 -45.47 87.85 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 109.749 -0.463 . . . . 10.0 109.749 178.839 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 384' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 380' ' ' GLU . 43.0 t -56.58 -48.24 80.78 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.575 179.394 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 1.6 p -65.04 -35.25 80.56 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.312 -0.404 . . . . 10.0 111.928 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -69.63 -40.41 76.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.696 0.284 . . . . 10.0 110.746 179.556 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 53.2 mt -61.16 -46.66 89.6 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.84 179.525 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 388' ' ' SER . . . . . 0.524 ' HB2' ' HE2' ' D' ' 594' ' ' LYS . 2.0 p -69.16 -36.11 77.03 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 120.838 0.351 . . . . 10.0 110.836 179.475 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -58.94 -48.7 80.57 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.688 179.56 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 97.4 mt -61.09 -36.16 78.94 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.454 179.453 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -68.79 -45.24 71.81 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.956 -0.566 . . . . 10.0 110.134 179.483 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 392' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' A' ' 388' ' ' SER . 69.2 mm-40 -56.98 -39.89 75.48 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.077 0.465 . . . . 10.0 110.358 179.024 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -64.82 -47.86 76.47 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.833 -0.621 . . . . 10.0 110.586 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 10.0 m -68.49 -26.44 65.47 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 112.205 0.446 . . . . 10.0 112.205 -179.221 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -81.16 -30.92 34.32 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.076 0.399 . . . . 10.0 112.076 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 396' ' ' LYS . . . . . 0.535 ' HE2' ' HA ' ' D' ' 587' ' ' ALA . 12.4 mptt -99.6 -47.4 5.11 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 113.414 0.894 . . . . 10.0 113.414 -178.582 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 69.7 mt -83.38 -6.48 59.48 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.349 0.5 . . . . 10.0 112.349 -178.577 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 54.7 t30 . . . . . 0 C--N 1.325 -0.498 0 CA-C-O 120.594 0.235 . . . . 10.0 110.872 -179.949 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 3.0 mm? . . . . . 0 N--CA 1.462 0.147 0 CA-C-O 120.897 0.38 . . . . 10.0 110.408 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.91 18.2 22.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.562 -179.609 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 91.6 mt -66.52 -23.52 66.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.856 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 58.7 mt -64.33 -42.15 96.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.035 -0.529 . . . . 10.0 109.681 179.248 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -67.8 -36.55 80.62 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.522 -0.763 . . . . 10.0 109.686 179.443 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 404' ' ' ASN . . . . . 0.478 ' O ' HG23 ' D' ' 408' ' ' VAL . 13.4 t-20 -64.66 -45.41 86.88 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.872 -0.788 . . . . 10.0 108.872 178.643 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -64.09 -36.57 84.45 Favored 'General case' 0 N--CA 1.456 -0.135 0 CA-C-N 115.414 -0.812 . . . . 10.0 110.542 179.587 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -63.11 -44.1 96.59 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.069 0.461 . . . . 10.0 109.85 178.539 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 40.1 m -61.76 -34.83 76.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.741 -0.663 . . . . 10.0 110.317 178.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 408' ' ' VAL . . . . . 0.478 HG23 ' O ' ' D' ' 404' ' ' ASN . 93.2 t -72.34 -42.61 65.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.263 0.554 . . . . 10.0 109.799 178.686 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 41.5 m -63.44 -39.64 95.01 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.892 -0.595 . . . . 10.0 110.016 179.292 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 50.7 m -63.74 -43.97 94.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.597 178.735 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 411' ' ' THR . . . . . 0.483 ' O ' ' HG ' ' D' ' 415' ' ' LEU . 1.0 OUTLIER -68.33 -32.83 73.23 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.814 0.34 . . . . 10.0 110.544 179.363 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 5.2 m-30 -66.68 -38.2 86.3 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.045 -0.724 . . . . 10.0 109.045 178.093 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 22.4 m -68.16 -37.17 80.73 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 108.799 -0.815 . . . . 10.0 108.799 178.091 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 414' ' ' LYS . . . . . 0.601 ' HA ' ' HG3' ' D' ' 417' ' ' GLU . 38.4 mmtt -66.99 -27.21 67.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.028 178.335 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 415' ' ' LEU . . . . . 0.523 ' O ' ' HG ' ' D' ' 419' ' ' LEU . 68.7 mt -68.91 -38.22 79.43 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 108.513 -0.921 . . . . 10.0 108.513 177.666 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 71.5 mtt180 -66.31 -32.97 74.69 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.416 -0.811 . . . . 10.0 109.824 178.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 417' ' ' GLU . . . . . 0.601 ' HG3' ' HA ' ' D' ' 414' ' ' LYS . 1.5 mm-40 -62.49 -26.42 68.53 Favored 'General case' 0 C--O 1.226 -0.157 0 CA-C-N 115.606 -0.724 . . . . 10.0 109.354 178.483 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 418' ' ' GLN . . . . . 0.401 ' NE2' ' HA ' ' D' ' 415' ' ' LEU . 34.6 mt-30 -90.78 -50.7 5.75 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.565 -0.743 . . . . 10.0 109.106 178.516 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 419' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' D' ' 415' ' ' LEU . 95.9 mt -46.14 -43.86 15.31 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.603 -0.726 . . . . 10.0 112.212 -179.613 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -57.11 -76.76 0.19 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 121.093 -0.575 . . . . 10.0 112.458 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -54.76 -43.09 62.5 Favored 'Trans proline' 0 C--O 1.234 0.291 0 C-N-CA 123.191 2.594 . . . . 10.0 113.135 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 46.6 t -56.23 -50.67 69.87 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.369 0 N-CA-C 111.995 0.368 . . . . 10.0 111.995 -179.224 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 39.5 p -65.58 -35.54 81.14 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.697 -0.401 . . . . 10.0 111.118 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -57.06 -49.54 75.53 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.033 -0.531 . . . . 10.0 110.434 179.551 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -81.55 -25.2 36.05 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.916 -0.584 . . . . 10.0 111.139 179.521 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 426' ' ' PHE . . . . . 0.561 ' O ' ' HG ' ' D' ' 430' ' ' LEU . 47.8 t80 -65.18 -42.78 93.3 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.831 -0.433 . . . . 10.0 109.831 179.042 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 427' ' ' TRP . . . . . 0.443 ' O ' ' HG3' ' D' ' 431' ' ' GLU . 10.3 m95 -66.94 -36.04 81.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.966 -0.561 . . . . 10.0 109.534 178.759 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -67.94 -37.42 81.61 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.515 -0.92 . . . . 10.0 108.515 178.137 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 429' ' ' ASN . . . . . 0.407 ' OD1' ' HG2' ' A' ' 345' ' ' ARG . 4.5 t30 -65.08 -43.96 90.44 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 115.292 -0.867 . . . . 10.0 108.665 177.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 430' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' D' ' 426' ' ' PHE . 96.8 mt -59.09 -36.33 74.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.274 -0.875 . . . . 10.0 110.136 179.169 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 431' ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' D' ' 427' ' ' TRP . 19.6 mt-10 -66.1 -42.36 89.39 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.219 178.749 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 36.7 mttp -63.69 -40.95 98.06 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 108.957 -0.757 . . . . 10.0 108.957 178.366 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -65.0 -46.93 79.35 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.493 -0.776 . . . . 10.0 110.361 178.813 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 1.7 p -65.72 -47.07 76.59 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-N 116.692 -0.231 . . . . 10.0 111.448 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -61.37 -42.19 98.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.683 0.278 . . . . 10.0 110.326 178.78 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -63.95 -49.32 68.41 Favored Glycine 0 N--CA 1.446 -0.64 0 N-CA-C 110.314 -1.114 . . . . 10.0 110.314 178.304 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 11.4 mt -60.27 -34.76 74.17 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-O 120.514 0.197 . . . . 10.0 110.791 178.822 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 71.2 mtt180 -66.25 -36.77 83.87 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.689 -0.485 . . . . 10.0 109.689 178.549 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -70.93 -34.1 71.16 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.275 0.56 . . . . 10.0 109.628 178.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 440' ' ' GLU . . . . . 0.426 ' O ' ' HB2' ' D' ' 444' ' ' ASP . 52.4 mt-10 -73.82 -47.86 35.48 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.504 -0.771 . . . . 10.0 109.965 178.622 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 96.8 mmm -72.07 -24.79 61.57 Favored 'General case' 0 C--O 1.225 -0.209 0 N-CA-C 113.453 0.909 . . . . 10.0 113.453 -178.533 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 2.8 p -64.08 -56.72 12.94 Favored 'General case' 0 CA--C 1.512 -0.489 0 C-N-CA 120.168 -0.613 . . . . 10.0 109.727 179.403 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 443' ' ' LYS . . . . . 0.419 ' HE3' ' HB3' ' D' ' 443' ' ' LYS . 22.4 mtpp -62.89 -35.02 78.66 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.479 -0.563 . . . . 10.0 109.479 178.68 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 444' ' ' ASP . . . . . 0.426 ' HB2' ' O ' ' D' ' 440' ' ' GLU . 2.5 t0 -63.08 -54.41 38.48 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.481 -0.781 . . . . 10.0 110.729 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 89.6 mt -67.87 -42.92 80.56 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.336 -0.393 . . . . 10.0 111.922 -179.385 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -61.7 -49.63 75.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.77 0.319 . . . . 10.0 110.737 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 447' ' ' GLU . . . . . 0.548 ' HB3' HH21 ' A' ' 330' ' ' ARG . 8.5 tt0 -70.71 -23.49 62.47 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 116.366 -0.379 . . . . 10.0 110.214 179.142 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 1.2 t -64.2 -34.81 71.32 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.146 0 N-CA-C 109.125 -0.694 . . . . 10.0 109.125 178.549 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -66.31 -33.56 76.01 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 108.797 -0.816 . . . . 10.0 108.797 178.373 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -86.13 -0.96 56.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.057 -0.974 . . . . 10.0 110.619 179.06 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 33.2 mmtm -105.65 -52.74 2.77 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.065 -0.516 . . . . 10.0 109.899 179.246 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 90.8 t -58.25 -42.86 84.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.183 -0.462 . . . . 10.0 111.965 -179.052 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 453' ' ' GLN . . . . . 0.542 ' HB2' ' HD3' ' D' ' 454' ' ' PRO . 33.9 mt-30 -56.69 -62.19 5.47 Favored Pre-proline 0 C--N 1.327 -0.389 0 N-CA-C 112.737 0.643 . . . . 10.0 112.737 -179.713 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 454' ' ' PRO . . . . . 0.542 ' HD3' ' HB2' ' D' ' 453' ' ' GLN . 23.9 Cg_exo -66.01 -32.47 44.22 Favored 'Trans proline' 0 C--N 1.353 0.79 0 C-N-CA 122.028 1.819 . . . . 10.0 111.95 179.282 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 455' ' ' TYR . . . . . 0.46 ' O ' ' HB2' ' D' ' 459' ' ' PHE . 51.1 t80 -63.3 -47.71 81.16 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 110.156 -0.313 . . . . 10.0 110.156 178.691 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 23.6 mt -71.11 -31.66 68.04 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 116.396 -0.365 . . . . 10.0 110.304 179.38 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -64.72 -48.73 73.55 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.124 -0.695 . . . . 10.0 109.124 178.656 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -68.39 -34.6 76.32 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.688 -0.687 . . . . 10.0 109.873 179.145 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 459' ' ' PHE . . . . . 0.46 ' HB2' ' O ' ' D' ' 455' ' ' TYR . 0.2 OUTLIER -67.14 -41.61 85.78 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.618 -0.719 . . . . 10.0 109.43 178.755 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -62.23 -41.31 98.29 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 115.835 -0.62 . . . . 10.0 109.727 178.791 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 67.3 mttt -61.22 -41.99 97.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.939 -0.573 . . . . 10.0 109.59 178.495 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 3.8 mtmm -68.68 -35.61 77.43 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.829 178.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 30.9 m0 -64.95 -43.06 93.96 Favored 'General case' 0 CA--C 1.52 -0.197 0 N-CA-C 108.642 -0.873 . . . . 10.0 108.642 177.679 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -62.42 -43.57 98.51 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 115.595 -0.73 . . . . 10.0 109.405 178.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 465' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -56.65 -48.94 76.45 Favored 'General case' 0 CA--C 1.521 -0.172 0 N-CA-C 108.915 -0.772 . . . . 10.0 108.915 178.099 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.25 -40.54 96.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.765 -0.652 . . . . 10.0 110.718 179.274 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 61.1 mtt -62.53 -47.43 83.94 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 109.779 -0.452 . . . . 10.0 109.779 179.253 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 468' ' ' GLU . . . . . 0.453 ' O ' ' HG3' ' D' ' 472' ' ' GLN . 50.9 mt-10 -64.8 -43.08 94.33 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.707 -0.679 . . . . 10.0 109.803 178.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 469' ' ' LEU . . . . . 0.658 HD21 ' HG3' ' A' ' 308' ' ' ARG . 30.5 mt -61.65 -42.66 99.21 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.492 179.343 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 -63.79 -29.14 70.38 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.387 -0.37 . . . . 10.0 111.259 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 471' ' ' ARG . . . . . 0.845 ' HA ' ' HG3' ' D' ' 475' ' ' GLU . 64.1 mtt85 -77.23 -20.81 54.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.218 0.533 . . . . 10.0 110.169 178.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 472' ' ' GLN . . . . . 0.453 ' HG3' ' O ' ' D' ' 468' ' ' GLU . 58.0 mt-30 -105.04 0.88 28.03 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.416 0.627 . . . . 10.0 109.767 179.27 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 473' ' ' LYS . . . . . 0.92 ' HE3' ' HB3' ' A' ' 301' ' ' LEU . 4.5 mptt -121.31 -80.7 0.63 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.239 -0.891 . . . . 10.0 110.105 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 8.5 t -53.42 -44.48 55.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.909 -0.587 . . . . 10.0 112.552 -178.639 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 475' ' ' GLU . . . . . 0.845 ' HG3' ' HA ' ' D' ' 471' ' ' ARG . 4.5 mt-10 -59.81 -59.2 14.6 Favored Pre-proline 0 CA--C 1.535 0.398 0 N-CA-C 112.246 0.462 . . . . 10.0 112.246 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 476' ' ' PRO . . . . . 0.731 ' HD3' ' HB2' ' D' ' 475' ' ' GLU . 31.9 Cg_exo -63.66 -38.29 41.55 Favored 'Trans proline' 0 C--N 1.355 0.902 0 C-N-CA 121.98 1.787 . . . . 10.0 111.348 178.29 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 45.6 mt -64.06 -34.3 77.7 Favored 'General case' 0 C--O 1.22 -0.489 0 N-CA-C 109.624 -0.51 . . . . 10.0 109.624 178.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 478' ' ' ARG . . . . . 0.573 ' O ' ' HB2' ' D' ' 482' ' ' GLN . 2.2 mtt-85 -59.23 -35.64 74.03 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.062 -0.718 . . . . 10.0 109.062 178.528 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -73.55 -47.57 39.76 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.742 -0.663 . . . . 10.0 109.969 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.44 -40.63 97.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.365 -0.379 . . . . 10.0 110.689 179.306 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 90.9 mt -69.61 -33.8 73.19 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.504 -0.554 . . . . 10.0 109.504 178.571 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 482' ' ' GLN . . . . . 0.573 ' HB2' ' O ' ' D' ' 478' ' ' ARG . 3.3 tp60 -66.6 -41.96 87.63 Favored 'General case' 0 CA--C 1.52 -0.204 0 N-CA-C 108.348 -0.982 . . . . 10.0 108.348 178.266 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -64.34 -43.62 94.05 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.342 -0.984 . . . . 10.0 108.342 178.211 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -63.16 -36.69 93.78 Favored Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 115.29 -0.868 . . . . 10.0 111.119 178.343 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -67.9 -39.74 83.57 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 109.673 -0.491 . . . . 10.0 109.673 178.586 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 74.0 mtt180 -64.96 -39.98 94.31 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.188 -0.671 . . . . 10.0 109.188 178.478 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -64.49 -48.71 74.17 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 108.79 -0.818 . . . . 10.0 108.79 178.079 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 488' ' ' LYS . . . . . 0.426 ' O ' ' HG ' ' D' ' 492' ' ' LEU . 85.7 tttt -59.39 -44.05 92.84 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.455 -0.793 . . . . 10.0 110.06 178.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 15.7 mt -61.78 -43.12 99.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.453 . . . . 10.0 109.802 178.708 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 490' ' ' HIS . . . . . 0.496 ' O ' ' HG3' ' D' ' 494' ' ' GLU . 6.5 t-160 -63.19 -47.99 80.24 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.862 -0.792 . . . . 10.0 108.862 179.021 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -55.1 -45.13 75.44 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.69 -0.686 . . . . 10.0 110.076 178.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 492' ' ' LEU . . . . . 0.56 ' O ' ' HG ' ' D' ' 496' ' ' LEU . 83.9 mt -68.03 -50.32 56.11 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.945 -0.57 . . . . 10.0 111.345 179.703 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -56.04 -40.49 73.58 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 112.409 0.522 . . . . 10.0 112.409 -179.52 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 494' ' ' GLU . . . . . 0.496 ' HG3' ' O ' ' D' ' 490' ' ' HIS . 46.5 mt-10 -68.24 -8.91 43.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.91 0.386 . . . . 10.0 111.442 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 495' ' ' LYS . . . . . 0.505 ' O ' ' HB2' ' D' ' 499' ' ' LEU . 25.7 mttp -112.4 -25.91 8.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.082 0.468 . . . . 10.0 110.001 178.491 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 496' ' ' LEU . . . . . 0.56 ' HG ' ' O ' ' D' ' 492' ' ' LEU . 95.8 mt -70.12 -35.33 74.02 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.222 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 497' ' ' SER . . . . . 0.518 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 16.0 m -69.48 -59.63 4.68 Favored Pre-proline 0 CA--C 1.541 0.625 0 N-CA-C 112.163 0.431 . . . . 10.0 112.163 179.731 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 498' ' ' PRO . . . . . 0.518 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 40.4 Cg_endo -69.28 -60.17 0.08 OUTLIER 'Trans proline' 0 C--N 1.353 0.79 0 C-N-CA 121.814 1.676 . . . . 10.0 112.91 -179.69 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 499' ' ' LEU . . . . . 0.505 ' HB2' ' O ' ' D' ' 495' ' ' LYS . 56.4 mt -65.02 -34.9 79.55 Favored 'General case' 0 C--O 1.223 -0.296 0 N-CA-C 112.344 0.498 . . . . 10.0 112.344 -178.537 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -61.95 -44.44 97.81 Favored Glycine 0 N--CA 1.45 -0.371 0 N-CA-C 110.582 -1.007 . . . . 10.0 110.582 179.022 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -73.75 -34.79 64.89 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 109.513 -0.551 . . . . 10.0 109.513 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 502' ' ' GLU . . . . . 0.443 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 5.3 tt0 -63.79 -43.93 94.86 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.381 -0.6 . . . . 10.0 109.381 178.782 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 503' ' ' MET . . . . . 0.767 ' HA ' ' HD2' ' D' ' 506' ' ' ARG . 86.4 mmm -62.14 -36.25 81.23 Favored 'General case' 0 CA--C 1.516 -0.363 0 N-CA-C 108.975 -0.75 . . . . 10.0 108.975 178.457 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 504' ' ' ARG . . . . . 0.428 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 90.1 mtt180 -64.21 -45.91 86.2 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 108.818 -0.808 . . . . 10.0 108.818 177.495 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 505' ' ' ASP . . . . . 0.658 ' HA ' ' HD2' ' D' ' 508' ' ' ARG . 2.0 m-20 -60.38 -39.21 86.45 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.13 0.491 . . . . 10.0 109.819 178.522 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 506' ' ' ARG . . . . . 0.767 ' HD2' ' HA ' ' D' ' 503' ' ' MET . 46.9 mtt180 -62.38 -50.06 73.06 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 108.387 -0.968 . . . . 10.0 108.387 178.047 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -58.46 -41.93 86.3 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.113 -0.949 . . . . 10.0 110.44 179.136 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 508' ' ' ARG . . . . . 0.658 ' HD2' ' HA ' ' D' ' 505' ' ' ASP . 80.1 mtt180 -60.18 -44.48 95.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.119 -0.492 . . . . 10.0 109.843 178.768 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 509' ' ' ALA . . . . . 0.593 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -66.44 -34.19 77.39 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.713 179.644 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 510' ' ' HIS . . . . . 0.45 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 28.7 m-70 -72.65 -43.64 62.92 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.086 -0.506 . . . . 10.0 110.0 178.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 511' ' ' VAL . . . . . 0.468 ' O ' ' HG3' ' D' ' 515' ' ' ARG . 37.4 t -65.04 -40.66 89.76 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 N-CA-C 108.951 -0.759 . . . . 10.0 108.951 178.495 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -60.98 -42.04 97.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.362 -0.835 . . . . 10.0 109.459 178.318 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -63.41 -46.3 87.02 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 109.042 -0.725 . . . . 10.0 109.042 178.351 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 514' ' ' LEU . . . . . 0.476 ' HA ' ' HB2' ' D' ' 517' ' ' HIS . 90.3 mt -59.25 -26.28 64.77 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.182 -0.463 . . . . 10.0 111.512 179.599 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 515' ' ' ARG . . . . . 0.468 ' HG3' ' O ' ' D' ' 511' ' ' VAL . 86.6 mtt180 -69.19 -27.39 65.46 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 109.549 -0.538 . . . . 10.0 109.549 178.835 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 1.3 m -107.92 2.08 23.1 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.368 0.604 . . . . 10.0 110.265 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 517' ' ' HIS . . . . . 0.476 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 28.9 m170 -113.69 -61.93 1.67 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.184 -179.747 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 518' ' ' LEU . . . . . 0.453 ' HG ' HD22 ' D' ' 514' ' ' LEU . 61.5 mt -74.07 -46.97 39.73 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.236 0.458 . . . . 10.0 112.236 -178.765 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 519' ' ' ALA . . . . . 0.665 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -55.61 -57.66 19.86 Favored Pre-proline 0 C--N 1.327 -0.393 0 N-CA-C 112.866 0.691 . . . . 10.0 112.866 -179.278 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 520' ' ' PRO . . . . . 0.665 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 32.2 Cg_exo -61.97 -38.14 60.03 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 122.01 1.807 . . . . 10.0 111.354 179.232 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -66.37 -30.14 70.47 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-O 120.817 0.342 . . . . 10.0 110.623 179.686 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 522' ' ' SER . . . . . 0.484 ' O ' ' HG3' ' D' ' 526' ' ' ARG . 69.0 m -67.36 -34.24 76.9 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 108.746 -0.835 . . . . 10.0 108.746 178.339 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -70.54 -37.74 74.11 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 109.046 -0.724 . . . . 10.0 109.046 178.089 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.18 -42.85 99.44 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 108.224 -1.028 . . . . 10.0 108.224 177.214 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 49.2 mt -63.91 -32.98 74.7 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 115.266 -0.879 . . . . 10.0 110.013 178.533 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 526' ' ' ARG . . . . . 0.484 ' HG3' ' O ' ' D' ' 522' ' ' SER . 65.4 mtt180 -65.58 -42.22 92.0 Favored 'General case' 0 C--N 1.334 -0.087 0 N-CA-C 109.541 -0.541 . . . . 10.0 109.541 178.442 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -62.38 -43.34 99.05 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 109.008 -0.738 . . . . 10.0 109.008 178.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 528' ' ' ARG . . . . . 0.57 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 66.5 mtt180 -69.01 -37.14 78.5 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.991 -1.004 . . . . 10.0 110.417 179.243 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 1.7 mt -61.62 -42.71 99.26 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.367 -0.605 . . . . 10.0 109.367 178.531 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -60.29 -48.1 83.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.862 -0.608 . . . . 10.0 110.646 179.58 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -65.55 -46.42 79.6 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 116.024 -0.535 . . . . 10.0 110.367 179.723 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 532' ' ' ARG . . . . . 0.671 ' O ' ' HG ' ' D' ' 536' ' ' LEU . 5.2 ttm180 -58.79 -48.14 82.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.874 -0.603 . . . . 10.0 109.392 179.088 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 47.3 mt -61.64 -39.1 90.1 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.629 179.184 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -60.04 -43.71 95.15 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.945 -0.391 . . . . 10.0 109.945 178.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -64.83 -40.24 94.86 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.728 -0.669 . . . . 10.0 109.513 178.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 536' ' ' LEU . . . . . 0.671 ' HG ' ' O ' ' D' ' 532' ' ' ARG . 52.0 mt -68.68 -35.82 77.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.857 -0.61 . . . . 10.0 110.654 179.379 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 42.2 mtmt -71.11 -39.39 72.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.122 0.487 . . . . 10.0 109.834 179.096 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -66.45 -49.28 67.23 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.732 -0.667 . . . . 10.0 109.608 179.1 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -67.18 -43.7 81.52 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.443 -0.798 . . . . 10.0 110.492 179.324 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -64.23 -40.27 97.82 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 111.452 -0.659 . . . . 10.0 111.452 179.48 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -66.11 -38.23 93.77 Favored Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 110.987 -0.845 . . . . 10.0 110.987 178.726 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -69.93 -48.93 56.58 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 108.693 -0.854 . . . . 10.0 108.693 178.483 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 543' ' ' ARG . . . . . 0.419 ' HA ' ' HB2' ' D' ' 546' ' ' GLU . 53.2 mtt180 -60.8 -25.22 66.4 Favored 'General case' 0 C--O 1.217 -0.634 0 CA-C-N 115.6 -0.727 . . . . 10.0 110.591 179.325 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 5.9 mt -65.0 -47.7 76.58 Favored 'General case' 0 CA--C 1.518 -0.267 0 N-CA-C 109.676 -0.49 . . . . 10.0 109.676 178.15 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -69.1 -39.27 79.07 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.875 -0.602 . . . . 10.0 109.47 178.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 546' ' ' GLU . . . . . 0.516 ' O ' ' HD2' ' D' ' 550' ' ' LYS . 77.8 mt-10 -62.45 -51.9 65.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.426 -0.807 . . . . 10.0 110.002 179.04 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 14.6 m-30 -61.88 -38.07 86.93 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.549 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 3.6 m170 -63.95 -45.47 88.98 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.043 0.449 . . . . 10.0 110.107 179.091 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -61.25 -48.55 80.92 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.542 -0.54 . . . . 10.0 109.542 178.618 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 550' ' ' LYS . . . . . 0.516 ' HD2' ' O ' ' D' ' 546' ' ' GLU . 0.1 OUTLIER -62.81 -38.3 90.15 Favored 'General case' 0 C--O 1.219 -0.54 0 CA-C-N 115.713 -0.676 . . . . 10.0 110.695 179.427 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -64.38 -40.79 96.51 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 110.086 -0.339 . . . . 10.0 110.086 179.331 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 21.4 m -65.78 -44.19 86.54 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.042 -0.725 . . . . 10.0 109.042 178.603 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -65.08 -45.35 85.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.719 -0.673 . . . . 10.0 110.416 179.137 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 24.3 t60 -61.58 -34.67 76.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.117 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 15.1 tp -71.39 -38.41 71.5 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 116.275 -0.42 . . . . 10.0 110.551 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -42.91 96.68 Favored 'General case' 0 C--O 1.225 -0.185 0 C-N-CA 120.976 -0.29 . . . . 10.0 110.339 178.798 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.52 -33.4 75.0 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 109.623 -0.51 . . . . 10.0 109.623 178.54 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 16.0 mt -62.57 -46.29 89.03 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.713 -0.676 . . . . 10.0 109.933 178.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.06 -35.73 61.84 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.727 0.298 . . . . 10.0 110.624 179.753 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -60.15 -28.47 67.93 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.128 178.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 561' ' ' LYS . . . . . 0.422 ' HA ' ' HD2' ' D' ' 561' ' ' LYS . 8.1 mptt -97.04 -39.1 9.5 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.806 -0.634 . . . . 10.0 110.904 179.08 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -61.36 -43.99 97.93 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 112.414 0.524 . . . . 10.0 112.414 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -54.41 -62.1 4.53 Favored Pre-proline 0 CA--C 1.536 0.437 0 N-CA-C 112.238 0.458 . . . . 10.0 112.238 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.22 -31.53 44.23 Favored 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 121.983 1.789 . . . . 10.0 111.861 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -65.69 -47.37 75.64 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 109.895 -0.409 . . . . 10.0 109.895 178.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 28.1 mt -59.95 -48.79 80.24 Favored 'General case' 0 CA--C 1.516 -0.355 0 N-CA-C 109.224 -0.658 . . . . 10.0 109.224 178.722 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -58.45 -53.17 61.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.84 -0.618 . . . . 10.0 110.9 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.55 -45.6 93.46 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.091 -0.504 . . . . 10.0 111.797 -179.543 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 569' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' D' ' 569' ' ' LEU . 26.9 mt -63.6 -38.64 91.9 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.809 -0.178 . . . . 10.0 111.02 179.619 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -66.39 -45.77 78.93 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.625 -0.509 . . . . 10.0 109.625 178.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -67.68 -20.82 65.34 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.968 -0.56 . . . . 10.0 111.063 179.457 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -88.47 -42.1 5.91 Favored Glycine 0 N--CA 1.443 -0.839 0 N-CA-C 110.668 -0.973 . . . . 10.0 110.668 178.731 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 19.8 mt -64.11 -28.12 69.55 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 122.276 0.231 . . . . 10.0 111.033 179.402 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 574' ' ' LEU . . . . . 0.481 ' O ' ' HG2' ' D' ' 578' ' ' GLU . 34.5 mt -54.6 -64.24 2.14 Favored Pre-proline 0 CA--C 1.536 0.417 0 O-C-N 123.111 0.257 . . . . 10.0 111.579 179.434 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -70.83 -30.06 17.88 Favored 'Trans proline' 0 C--N 1.355 0.883 0 C-N-CA 121.692 1.595 . . . . 10.0 111.612 179.281 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 16.8 t -63.99 -48.33 86.49 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-N 116.833 -0.167 . . . . 10.0 110.66 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 36.5 mt -63.37 -39.33 94.23 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 110.264 -0.273 . . . . 10.0 110.264 179.271 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 578' ' ' GLU . . . . . 0.481 ' HG2' ' O ' ' D' ' 574' ' ' LEU . 20.2 mm-40 -64.51 -43.41 94.16 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 109.647 -0.501 . . . . 10.0 109.647 178.43 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 69.3 m -61.94 -42.02 98.63 Favored 'General case' 0 CA--C 1.528 0.134 0 N-CA-C 109.42 -0.585 . . . . 10.0 109.42 178.177 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -63.51 -43.42 97.27 Favored 'General case' 0 C--N 1.334 -0.066 0 CA-C-N 115.593 -0.73 . . . . 10.0 110.616 179.343 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -58.48 -42.58 87.84 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.681 -0.488 . . . . 10.0 109.681 178.585 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 582' ' ' VAL . . . . . 0.407 HG23 ' O ' ' D' ' 578' ' ' GLU . 69.4 t -61.46 -48.75 87.39 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-N 115.824 -0.626 . . . . 10.0 110.173 178.82 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 13.8 p -63.25 -41.01 99.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.374 -0.376 . . . . 10.0 111.292 179.622 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 584' ' ' PHE . . . . . 0.402 ' O ' ' HG ' ' D' ' 588' ' ' LEU . 11.6 m-85 -66.88 -45.04 79.31 Favored 'General case' 0 CA--C 1.523 -0.065 0 CA-C-N 116.493 -0.321 . . . . 10.0 111.013 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 34.3 mt -59.7 -46.08 90.15 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.867 0.365 . . . . 10.0 110.361 179.348 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 11.3 m -66.86 -32.25 73.4 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.843 179.668 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 587' ' ' ALA . . . . . 0.535 ' HA ' ' HE2' ' A' ' 396' ' ' LYS . . . -72.16 -51.89 19.17 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.821 0.344 . . . . 10.0 110.776 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 588' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' D' ' 584' ' ' PHE . 82.1 mt -64.06 -41.42 97.38 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.261 -179.466 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -58.7 -47.67 83.77 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.055 -0.521 . . . . 10.0 111.089 -179.597 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -72.37 -31.57 65.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.978 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 591' ' ' TYR . . . . . 0.443 ' HD1' ' HA ' ' D' ' 591' ' ' TYR . 1.8 m-30 -62.6 -43.95 97.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.517 -0.31 . . . . 10.0 110.878 179.485 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 4.1 m -66.86 -19.73 65.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.334 -0.394 . . . . 10.0 110.788 179.175 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -82.87 -43.88 16.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.128 179.111 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 594' ' ' LYS . . . . . 0.524 ' HE2' ' HB2' ' A' ' 388' ' ' SER . 12.0 mptt -73.73 -43.85 57.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.038 179.781 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 23.9 mt -89.81 49.35 1.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.395 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 . . . . . 0 C--N 1.32 -0.697 0 CA-C-N 116.053 -0.521 . . . . 10.0 111.07 -179.532 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 1' ' ' SER . . . . . 0.454 ' N ' ' HB ' ' B' ' 50' ' ' THR . 19.7 m . . . . . 0 N--CA 1.451 -0.407 0 CA-C-O 120.942 0.401 . . . . 10.0 110.847 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.22 126.16 49.13 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.001 179.756 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -92.99 142.24 27.51 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.753 0.311 . . . . 10.0 110.387 -179.541 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -135.6 106.61 6.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.047 179.722 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.547 ' HA ' ' HB3' ' B' ' 54' ' ' ASP . 63.3 mttm -80.53 118.73 22.39 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.075 179.543 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.51 ' O ' ' HA ' ' B' ' 55' ' ' ILE . 3.6 mt -123.72 140.27 53.16 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.196 -0.456 . . . . 10.0 111.166 -178.502 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 21.5 t -119.8 138.04 51.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.147 -0.478 . . . . 10.0 110.422 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.61 HG12 ' HD2' ' B' ' 16' ' ' LYS . 6.1 t -102.09 105.71 18.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.409 -0.359 . . . . 10.0 110.091 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 18.2 m -105.66 150.75 8.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.302 -0.408 . . . . 10.0 111.375 -179.345 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 153.15 171.55 20.55 Favored Glycine 0 N--CA 1.446 -0.69 0 CA-C-N 115.563 -0.744 . . . . 10.0 111.41 -179.322 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.9 -178.01 4.68 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.115 0.483 . . . . 10.0 110.964 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -86.42 156.81 20.01 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.867 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 72.61 8.9 73.13 Favored Glycine 0 CA--C 1.517 0.187 0 CA-C-N 116.077 -0.51 . . . . 10.0 114.236 179.615 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.524 HG12 ' HB2' ' B' ' 83' ' ' ALA . 31.4 m -87.37 -28.97 5.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 117.288 0.544 . . . . 10.0 111.942 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.68 34.39 3.07 Favored Glycine 0 CA--C 1.518 0.224 0 C-N-CA 120.564 -0.827 . . . . 10.0 113.366 179.422 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 16' ' ' LYS . . . . . 0.61 ' HD2' HG12 ' B' ' 8' ' ' VAL . 42.2 mtmt -63.56 -44.35 94.38 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 122.765 -0.256 . . . . 10.0 111.624 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.1 -23.63 59.35 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.292 -0.413 . . . . 10.0 111.83 -178.833 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.03 -43.6 98.26 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 110.057 -0.349 . . . . 10.0 110.057 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 58.3 mt -65.64 -38.99 90.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.048 -0.524 . . . . 10.0 110.476 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.87 -46.71 67.73 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.742 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 71.6 mt -64.21 -37.8 80.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.81 179.06 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 22' ' ' GLN . . . . . 0.601 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 6.4 mm-40 -64.83 -32.49 74.21 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.152 0.501 . . . . 10.0 110.707 179.145 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 17.7 tp -83.77 -40.19 19.1 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.457 -0.338 . . . . 10.0 111.81 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.445 HG13 ' HB3' ' B' ' 40' ' ' TYR . 38.4 mm -83.12 -65.04 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 112.695 0.628 . . . . 10.0 112.695 -178.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -78.25 -19.81 52.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.443 -0.344 . . . . 10.0 111.613 -178.308 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 26' ' ' ASN . . . . . 0.601 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 2.7 t-20 71.01 38.06 1.16 Allowed 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 113.347 0.869 . . . . 10.0 113.347 178.436 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -155.93 177.31 11.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.529 -0.305 . . . . 10.0 110.947 178.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -120.81 130.17 53.87 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.078 0.466 . . . . 10.0 111.395 -179.539 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 17.4 m -92.14 150.58 3.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.857 -0.611 . . . . 10.0 110.138 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -101.67 -31.05 10.99 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.024 -0.534 . . . . 10.0 110.667 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -75.58 133.2 41.0 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.574 -0.739 . . . . 10.0 111.52 -179.178 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -76.11 130.59 38.54 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.163 -0.681 . . . . 10.0 109.163 178.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -134.41 109.72 11.37 Favored Pre-proline 0 C--N 1.321 -0.668 0 CA-C-O 120.838 0.351 . . . . 10.0 111.498 -179.173 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -64.33 99.58 0.3 Allowed 'Trans proline' 0 CA--C 1.53 0.309 0 C-N-CA 122.961 2.441 . . . . 10.0 111.599 179.636 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 3.1 m -71.35 115.14 10.17 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.165 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 44.2 mm -76.62 -51.44 19.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 108.521 -0.918 . . . . 10.0 108.521 178.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 37' ' ' GLU . . . . . 0.595 ' HG2' HD11 ' B' ' 56' ' ' LEU . 22.6 tt0 -179.77 103.85 0.03 OUTLIER 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 115.064 -0.971 . . . . 10.0 109.902 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -135.52 139.15 43.75 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.98 -0.288 . . . . 10.0 111.467 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 3.2 m -102.18 148.55 25.29 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.244 -0.435 . . . . 10.0 111.131 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 40' ' ' TYR . . . . . 0.445 ' HB3' HG13 ' B' ' 24' ' ' ILE . 78.3 m-85 -131.32 124.32 30.16 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.9 -0.591 . . . . 10.0 110.048 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.52 ' HD2' ' OD1' ' B' ' 54' ' ' ASP . 0.1 OUTLIER -114.87 117.94 32.1 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.126 -0.488 . . . . 10.0 111.897 -179.064 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 35.4 tttp -134.78 133.79 40.22 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.81 -0.632 . . . . 10.0 109.939 179.31 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -101.39 112.84 25.49 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.113 -0.494 . . . . 10.0 109.904 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 3.5 m -126.21 165.66 23.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.41 -0.359 . . . . 10.0 111.312 -179.5 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 14.6 t -102.92 84.86 0.89 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.346 0 CA-C-O 121.367 0.603 . . . . 10.0 110.49 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 46' ' ' ILE . . . . . 0.647 HD13 ' HA ' ' B' ' 157' ' ' TYR . 58.8 mt -89.86 121.81 40.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.611 -179.181 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 47' ' ' ASP . . . . . 0.941 ' HA ' ' HB2' ' C' ' 128' ' ' LYS . 63.8 m-20 64.23 13.92 8.27 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.574 -0.739 . . . . 10.0 111.624 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.3 7.82 58.0 Favored Glycine 0 N--CA 1.454 -0.164 0 C-N-CA 120.752 -0.737 . . . . 10.0 112.554 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -116.13 144.83 43.63 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.674 0.274 . . . . 10.0 110.384 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 50' ' ' THR . . . . . 0.454 ' HB ' ' N ' ' B' ' 1' ' ' SER . 3.2 m -77.51 106.73 9.48 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.274 -0.639 . . . . 10.0 109.274 178.711 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 51' ' ' CYS . . . . . 0.464 ' SG ' ' HB ' ' B' ' 46' ' ' ILE . 15.9 m -109.64 125.58 52.74 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.892 0.377 . . . . 10.0 111.834 -178.521 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 52.2 tp -94.23 107.34 19.28 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.587 -0.894 . . . . 10.0 108.587 178.055 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 53' ' ' LEU . . . . . 0.496 ' O ' ' HA ' ' B' ' 41' ' ' ARG . 34.5 mt -82.06 115.59 21.27 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.944 -0.571 . . . . 10.0 112.414 -177.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 54' ' ' ASP . . . . . 0.547 ' HB3' ' HA ' ' B' ' 5' ' ' LYS . 12.4 t70 -105.52 79.67 1.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.193 -1.41 . . . . 10.0 107.193 177.633 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 55' ' ' ILE . . . . . 0.51 ' HA ' ' O ' ' B' ' 6' ' ' LEU . 39.0 mt -91.66 145.85 6.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.878 -0.601 . . . . 10.0 111.721 -177.767 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.595 HD11 ' HG2' ' B' ' 37' ' ' GLU . 23.1 tp -136.5 117.65 14.45 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.048 179.562 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -97.45 112.78 24.48 Favored 'General case' 0 C--O 1.233 0.223 0 N-CA-C 108.952 -0.758 . . . . 10.0 108.952 178.421 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 58' ' ' THR . . . . . 0.56 HG23 ' HG3' ' B' ' 37' ' ' GLU . 0.2 OUTLIER -105.24 161.93 13.85 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.505 -0.316 . . . . 10.0 111.309 -179.537 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.5 129.53 41.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.134 -0.484 . . . . 10.0 111.752 -179.119 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -105.1 41.74 2.08 Favored Glycine 0 N--CA 1.447 -0.589 0 N-CA-C 111.161 -0.776 . . . . 10.0 111.161 179.083 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -107.54 18.67 21.21 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.639 0.257 . . . . 10.0 110.793 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 62.68 -160.66 0.3 Allowed 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.806 -0.634 . . . . 10.0 112.24 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 66.35 15.71 10.19 Favored 'General case' 0 C--O 1.225 -0.196 0 CA-C-N 115.853 -0.612 . . . . 10.0 111.239 -179.469 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 9.0 m-30 -118.38 75.42 1.01 Allowed 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.205 -0.665 . . . . 10.0 109.205 179.515 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 1.6 p -78.43 -67.26 0.76 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.362 -0.381 . . . . 10.0 111.092 -179.455 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.31 -29.85 42.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.945 -0.571 . . . . 10.0 111.408 -179.359 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 89.6 mtp -64.69 -31.51 72.76 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.909 0.385 . . . . 10.0 110.925 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 68' ' ' ARG . . . . . 0.549 ' HA ' ' CZ ' ' B' ' 71' ' ' TYR . 24.7 ttp180 -78.95 -25.96 43.57 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 121.175 0.512 . . . . 10.0 110.296 179.72 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.02 -8.05 41.31 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.907 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -86.1 -63.9 1.24 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.242 0.46 . . . . 10.0 112.242 -179.19 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 71' ' ' TYR . . . . . 0.549 ' CZ ' ' HA ' ' B' ' 68' ' ' ARG . 5.4 p90 -67.07 -16.65 64.47 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 113.126 0.787 . . . . 10.0 113.126 -179.189 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 72' ' ' MET . . . . . 0.453 ' SD ' ' HG2' ' B' ' 99' ' ' GLN . 33.0 mtt -69.71 -19.35 63.56 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.294 0.569 . . . . 10.0 110.048 178.467 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 59.4 mtt180 -81.49 -48.75 11.44 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.594 -0.73 . . . . 10.0 109.536 178.777 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.99 -40.34 75.35 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.317 -0.856 . . . . 10.0 112.124 -179.397 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -58.36 121.08 24.99 Favored Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 116.046 -0.525 . . . . 10.0 112.751 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 76' ' ' GLU . . . . . 0.485 ' HG3' ' HB2' ' B' ' 5' ' ' LYS . 30.6 mt-10 -88.45 -40.34 13.55 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-O 120.635 0.255 . . . . 10.0 110.521 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -119.52 131.16 8.84 Favored Glycine 0 N--CA 1.446 -0.687 0 N-CA-C 111.374 -0.69 . . . . 10.0 111.374 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 78' ' ' PHE . . . . . 0.656 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 96.1 m-85 -111.05 129.48 55.9 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.069 0.462 . . . . 10.0 111.505 -179.4 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 57.0 tp -101.84 117.38 34.73 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.014 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 27.1 m -88.07 99.39 12.14 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.182 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 30.2 t -101.59 118.72 48.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.138 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 47.1 p90 -125.18 160.76 28.41 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.882 179.45 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.524 ' HB2' HG12 ' B' ' 14' ' ' VAL . . . -99.98 144.09 29.43 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.951 -0.568 . . . . 10.0 109.963 179.512 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 84' ' ' ILE . . . . . 0.408 HD12 ' HB3' ' B' ' 123' ' ' ARG . 28.7 pt -85.58 -10.86 11.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.809 0.338 . . . . 10.0 111.28 -179.773 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 85' ' ' ASN . . . . . 0.451 ' OD1' ' HB1' ' B' ' 83' ' ' ALA . 27.0 p-10 -99.6 -28.81 13.03 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.272 -0.422 . . . . 10.0 111.964 -179.651 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 35.7 t-20 -108.56 113.48 26.52 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.002 0.43 . . . . 10.0 111.12 -178.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.81 -26.51 64.28 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.867 -0.606 . . . . 10.0 111.929 -179.629 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -59.86 -43.15 94.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.656 0.265 . . . . 10.0 110.889 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.21 -26.8 66.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.132 -0.485 . . . . 10.0 111.434 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -75.61 -44.94 40.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.071 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -72.45 -22.14 61.13 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.381 -0.372 . . . . 10.0 111.351 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.24 -18.04 61.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 10.0 111.732 -179.459 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 45.4 mm -59.89 -37.2 70.92 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 N-CA-C 109.598 -0.519 . . . . 10.0 109.598 179.57 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -63.0 -46.89 85.51 Favored 'General case' 0 C--O 1.231 0.084 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.035 179.122 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 39.9 m-70 -62.5 -41.9 99.14 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.012 -0.54 . . . . 10.0 110.837 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -63.5 -47.58 81.15 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.32 178.637 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 97' ' ' ARG . . . . . 0.439 HH11 ' HD3' ' B' ' 97' ' ' ARG . 31.5 ttt-85 -59.53 -40.03 85.83 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 116.046 -0.525 . . . . 10.0 111.025 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -61.6 -44.97 96.01 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.408 -0.36 . . . . 10.0 111.314 179.592 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 99' ' ' GLN . . . . . 0.453 ' HG2' ' SD ' ' B' ' 72' ' ' MET . 63.5 tt0 -65.48 -44.05 88.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.535 -0.302 . . . . 10.0 110.721 179.668 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 96.6 mt -55.34 -49.01 76.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-O 121.164 0.507 . . . . 10.0 110.459 179.332 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 101' ' ' LYS . . . . . 0.418 ' HE2' ' HG2' ' B' ' 97' ' ' ARG . 7.8 mtmt -66.03 -24.44 66.75 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.657 -0.702 . . . . 10.0 111.934 -179.428 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 6.1 tmm_? -82.43 -41.81 19.37 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.676 -0.49 . . . . 10.0 109.676 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 103' ' ' VAL . . . . . 0.435 HG23 ' O ' ' B' ' 99' ' ' GLN . 71.2 t -64.65 -48.68 83.74 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 CA-C-N 115.818 -0.628 . . . . 10.0 111.282 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 104' ' ' LYS . . . . . 0.404 ' HD2' ' HE2' ' B' ' 78' ' ' PHE . 22.2 mtpp -83.19 -2.87 56.6 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.187 -0.461 . . . . 10.0 111.189 -179.397 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 11.9 t70 50.12 49.22 20.84 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 121.455 0.645 . . . . 10.0 111.378 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 2.5 t -166.7 144.81 5.18 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.657 -0.701 . . . . 10.0 109.636 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -86.65 -34.93 19.63 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.866 0.365 . . . . 10.0 110.79 -179.468 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.91 98.06 6.25 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.203 0.525 . . . . 10.0 110.674 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 109' ' ' VAL . . . . . 0.402 ' HA ' ' HD3' ' B' ' 110' ' ' PRO . 60.7 t -129.11 135.08 27.06 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 115.506 -0.77 . . . . 10.0 109.785 -179.659 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 110' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 27.5 Cg_exo -64.42 105.68 0.63 Allowed 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.588 2.192 . . . . 10.0 111.54 179.208 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 111' ' ' MET . . . . . 0.656 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 67.1 mtm -139.25 153.68 47.86 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.199 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 99.3 t -133.1 136.78 54.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.999 -0.371 . . . . 10.0 109.999 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 15.5 tp -93.05 113.86 26.24 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.406 -0.59 . . . . 10.0 109.406 179.621 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 51.4 t -120.07 122.94 69.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.068 0.461 . . . . 10.0 111.763 -178.344 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -107.64 116.57 4.92 Favored Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 110.315 -1.114 . . . . 10.0 110.315 178.434 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -94.69 167.0 11.73 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.923 0.361 . . . . 10.0 111.324 -179.142 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 51.1 mttt 67.88 29.69 6.52 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 123.61 0.764 . . . . 10.0 112.655 179.201 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 70.8 m -66.19 -11.72 51.51 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.62 0.6 . . . . 10.0 112.62 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -90.23 -10.25 45.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.882 0.372 . . . . 10.0 110.933 179.75 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 29.7 mt -80.36 138.53 51.89 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 116.459 -0.337 . . . . 10.0 110.626 179.223 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -74.69 150.95 40.55 Favored 'Trans proline' 0 C--O 1.238 0.491 0 C-N-CA 122.474 2.116 . . . . 10.0 112.534 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 2.5 m 62.52 81.69 0.19 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.66 -0.7 . . . . 10.0 112.187 179.297 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 123' ' ' ARG . . . . . 0.44 HH12 ' CD ' ' B' ' 143' ' ' GLU . 15.8 ptt180 -105.85 139.35 40.55 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 122.287 -0.258 . . . . 10.0 111.259 178.849 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 7.4 m -66.81 -63.41 1.07 Allowed 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.229 0.455 . . . . 10.0 112.229 -179.078 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 73.2 t -76.41 117.7 21.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.908 0.385 . . . . 10.0 110.711 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -76.91 151.16 35.88 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.682 -0.69 . . . . 10.0 109.288 179.385 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 1.7 m -53.01 -42.54 65.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.505 -0.316 . . . . 10.0 111.675 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 128' ' ' LYS . . . . . 0.761 ' HB3' ' HA ' ' C' ' 47' ' ' ASP . 1.3 mppt? -68.47 -23.28 64.56 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.856 0.36 . . . . 10.0 111.963 -179.393 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -76.24 -44.56 36.91 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.713 -0.476 . . . . 10.0 109.713 179.097 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -69.42 -44.13 71.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.691 -0.686 . . . . 10.0 110.844 179.548 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -63.03 -36.73 84.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.867 -0.606 . . . . 10.0 111.314 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -63.93 -36.05 82.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.181 0.515 . . . . 10.0 110.968 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 13.3 tp -78.99 -38.21 37.32 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.253 -0.431 . . . . 10.0 110.566 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.78 -44.39 96.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.994 -0.548 . . . . 10.0 111.139 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 135' ' ' ARG . . . . . 0.755 ' HB2' ' HD3' ' C' ' 165' ' ' LYS . 5.8 ppt_? -64.17 -23.68 67.41 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.373 -0.376 . . . . 10.0 111.951 -179.753 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.68 -27.71 50.89 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.097 0.475 . . . . 10.0 109.839 179.371 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 21.1 m-30 -83.48 -36.4 24.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.037 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 101.21 17.15 23.27 Favored Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 111.026 -0.829 . . . . 10.0 111.026 -178.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 47.1 pt -116.78 150.33 45.57 Favored Pre-proline 0 C--N 1.326 -0.443 0 N-CA-C 110.185 -0.302 . . . . 10.0 110.185 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -80.38 144.2 16.0 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 122.371 2.048 . . . . 10.0 113.187 -179.474 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -106.34 142.14 36.51 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.33 -0.85 . . . . 10.0 109.372 179.046 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 37.0 mt -130.17 132.18 65.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-O 120.977 0.418 . . . . 10.0 111.941 -179.445 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 143' ' ' GLU . . . . . 0.44 ' CD ' HH12 ' B' ' 123' ' ' ARG . 3.7 mm-40 -85.48 122.5 29.71 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 107.658 -1.238 . . . . 10.0 107.658 177.86 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 144' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' B' ' 150' ' ' GLN . 24.5 p -133.48 166.19 23.12 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.799 1.037 . . . . 10.0 113.799 -177.753 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 10.5 t -155.32 103.41 2.34 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.51 -1.223 . . . . 10.0 108.159 178.448 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -64.57 -23.76 67.37 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.318 0.58 . . . . 10.0 110.567 -179.455 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 44.4 tttt -67.67 -31.36 71.28 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.086 -0.961 . . . . 10.0 111.735 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 65.8 p -120.02 2.56 10.98 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.836 0.31 . . . . 10.0 111.836 -178.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 45.0 ttm-85 61.94 34.73 16.65 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 121.662 0.744 . . . . 10.0 110.925 -178.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 150' ' ' GLN . . . . . 0.406 ' O ' ' HA ' ' B' ' 144' ' ' THR . 58.1 tt0 -80.36 105.46 11.63 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.984 -179.542 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 66.74 5.79 33.04 Favored Glycine 0 CA--C 1.519 0.339 0 CA-C-N 115.855 -0.611 . . . . 10.0 114.476 177.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 62.6 t -58.74 -47.56 88.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 117.291 0.545 . . . . 10.0 111.05 -179.43 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -64.5 -44.37 91.17 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.824 -0.625 . . . . 10.0 111.2 -179.565 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -65.11 -26.97 68.43 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.026 0.441 . . . . 10.0 110.985 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -66.02 -40.14 90.81 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.435 -0.58 . . . . 10.0 109.435 178.772 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -71.07 -33.99 70.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.833 -0.621 . . . . 10.0 109.865 178.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 157' ' ' TYR . . . . . 0.647 ' HA ' HD13 ' B' ' 46' ' ' ILE . 4.2 m-30 -68.32 -44.92 74.29 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.75 -0.659 . . . . 10.0 109.945 179.313 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 50.5 m -61.92 -33.87 75.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.837 -0.62 . . . . 10.0 111.068 179.242 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 159' ' ' LEU . . . . . 0.401 ' HG ' HD22 ' B' ' 6' ' ' LEU . 14.3 tp -59.06 -43.93 91.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.105 0.479 . . . . 10.0 109.726 179.055 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 39.6 t -74.53 -35.92 39.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.765 -0.652 . . . . 10.0 110.132 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -56.72 -40.16 75.19 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.562 -0.745 . . . . 10.0 110.377 179.258 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -67.54 -30.41 70.05 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.778 -0.646 . . . . 10.0 111.778 179.724 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 65.2 mt -67.64 -43.76 86.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 110.077 -0.342 . . . . 10.0 110.077 179.48 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 22.7 mtt85 -64.64 -36.16 83.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 10.0 109.903 178.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 29.1 ttmt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 115.751 -0.659 . . . . 10.0 109.858 179.291 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 12.9 m . . . . . 0 C--O 1.233 0.203 0 CA-C-O 120.887 0.375 . . . . 10.0 111.031 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.22 134.98 46.98 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.191 -0.458 . . . . 10.0 110.057 179.654 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -100.63 138.64 37.41 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.899 -0.408 . . . . 10.0 109.899 179.592 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -129.09 118.14 22.0 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.197 -0.456 . . . . 10.0 109.83 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 5' ' ' LYS . . . . . 0.648 ' HB2' ' HG3' ' C' ' 76' ' ' GLU . 41.2 mttm -83.51 112.7 20.21 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 116.163 -0.471 . . . . 10.0 111.205 -179.693 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 6' ' ' LEU . . . . . 0.47 ' O ' ' HA ' ' C' ' 55' ' ' ILE . 14.2 mt -111.57 117.32 32.65 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.44 -0.8 . . . . 10.0 110.943 -178.729 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 49.7 t -106.23 120.27 56.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.365 -0.38 . . . . 10.0 110.112 179.245 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.554 HG12 ' HD2' ' C' ' 16' ' ' LYS . 3.1 t -88.42 116.45 30.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.356 -0.384 . . . . 10.0 110.078 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 19.9 m -118.96 162.34 17.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.006 0.432 . . . . 10.0 112.03 -179.388 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 152.1 -161.61 29.43 Favored Glycine 0 N--CA 1.447 -0.598 0 N-CA-C 110.598 -1.001 . . . . 10.0 110.598 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -90.77 -165.68 1.41 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.694 0.247 . . . . 10.0 110.352 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.57 144.97 25.58 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.989 0.423 . . . . 10.0 110.849 179.714 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 69.72 18.2 73.82 Favored Glycine 0 N--CA 1.451 -0.357 0 CA-C-N 115.898 -0.592 . . . . 10.0 113.598 178.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 14' ' ' VAL . . . . . 0.411 ' CG2' ' HG3' ' C' ' 16' ' ' LYS . 17.1 m -82.88 -22.63 8.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 120.991 0.424 . . . . 10.0 111.186 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 108.9 21.83 7.25 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.682 -0.771 . . . . 10.0 113.532 179.079 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 16' ' ' LYS . . . . . 0.554 ' HD2' HG12 ' C' ' 8' ' ' VAL . 2.0 mtmp? -61.48 -33.63 74.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.06 0.457 . . . . 10.0 110.917 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 1.9 m -79.78 -47.36 15.34 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.977 -0.556 . . . . 10.0 109.952 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.05 -47.53 80.73 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.002 -0.545 . . . . 10.0 111.523 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 37.4 mt -59.42 -51.33 70.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.391 -0.368 . . . . 10.0 111.314 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 4.4 m -65.05 -41.51 95.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.421 -0.354 . . . . 10.0 111.894 -179.21 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 79.0 mt -64.07 -30.71 50.79 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 CA-C-O 120.665 0.269 . . . . 10.0 110.564 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 22' ' ' GLN . . . . . 0.659 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 6.3 mm-40 -67.02 -19.74 65.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.626 179.208 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 23' ' ' LEU . . . . . 0.491 HD22 ' CD2' ' C' ' 156' ' ' PHE . 11.9 tp -97.39 -35.73 10.59 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.244 0.545 . . . . 10.0 111.092 179.131 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 48.0 mm -79.34 -63.03 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.687 -0.688 . . . . 10.0 111.537 -179.252 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 25' ' ' GLN . . . . . 0.49 ' HB3' ' HD2' ' C' ' 27' ' ' HIS . 74.5 mt-30 -90.8 -8.86 48.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.098 0.475 . . . . 10.0 111.575 -179.457 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 26' ' ' ASN . . . . . 0.659 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 68.7 m-80 62.11 31.64 17.71 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 114.103 1.149 . . . . 10.0 114.103 178.236 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 27' ' ' HIS . . . . . 0.49 ' HD2' ' HB3' ' C' ' 25' ' ' GLN . 10.3 p80 -143.18 159.58 42.04 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 121.118 -0.233 . . . . 10.0 110.519 178.485 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -98.41 128.68 44.9 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 112.091 0.404 . . . . 10.0 112.091 -178.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 4.1 m -97.29 129.99 46.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.536 -0.756 . . . . 10.0 109.745 178.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -93.35 -22.94 18.65 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.808 0.337 . . . . 10.0 111.837 -179.011 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -83.34 138.96 33.31 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.094 0.473 . . . . 10.0 111.088 -179.64 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -86.45 115.75 24.16 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.678 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -118.94 105.79 44.63 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 116.486 -0.325 . . . . 10.0 110.294 179.381 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -51.56 112.23 0.77 Allowed 'Trans proline' 0 C--O 1.234 0.292 0 C-N-CA 123.162 2.575 . . . . 10.0 111.911 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 35' ' ' THR . . . . . 0.55 ' CG2' ' HB2' ' C' ' 38' ' ' ASP . 11.2 m -81.48 112.92 19.17 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.519 -0.764 . . . . 10.0 111.093 -179.411 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 36.1 mm -85.0 -42.92 16.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.828 -0.624 . . . . 10.0 109.602 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -175.23 86.4 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.265 -0.88 . . . . 10.0 109.014 179.467 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 38' ' ' ASP . . . . . 0.55 ' HB2' ' CG2' ' C' ' 35' ' ' THR . 0.2 OUTLIER -102.12 134.91 44.62 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.838 -0.619 . . . . 10.0 111.202 -178.633 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 1.5 m -117.3 136.14 53.32 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.364 -0.38 . . . . 10.0 110.809 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -131.37 134.93 46.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.633 -0.258 . . . . 10.0 111.035 -179.007 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -125.75 127.87 46.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.47 -0.332 . . . . 10.0 111.188 179.281 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 40.7 tttp -145.69 157.64 43.93 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.523 -0.547 . . . . 10.0 109.523 -179.46 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -124.96 123.03 39.02 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.856 -0.424 . . . . 10.0 109.856 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 3.7 m -133.46 171.63 17.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.841 0.353 . . . . 10.0 111.906 -179.306 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 33.1 t -108.67 85.64 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.054 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 53.4 mt -88.62 111.53 22.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.971 -179.178 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 47' ' ' ASP . . . . . 0.761 ' HA ' ' HB3' ' B' ' 128' ' ' LYS . 3.5 m-20 63.28 19.41 11.66 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 115.631 -0.713 . . . . 10.0 111.648 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.3 -16.21 55.52 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.827 -0.701 . . . . 10.0 111.817 -179.499 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -88.31 122.96 32.42 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.004 0.431 . . . . 10.0 111.214 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 3.0 m -77.65 113.58 15.64 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 107.783 -1.192 . . . . 10.0 107.783 178.108 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -126.61 152.23 46.94 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 113.342 0.867 . . . . 10.0 113.342 -177.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 52.9 tp -102.77 118.17 36.25 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 114.763 -1.108 . . . . 10.0 108.5 178.649 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 46.7 mt -87.17 116.04 24.98 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.039 -0.528 . . . . 10.0 112.104 -178.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 54' ' ' ASP . . . . . 0.556 ' HB3' ' HA ' ' C' ' 5' ' ' LYS . 32.0 t70 -100.75 80.43 2.17 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 107.81 -1.182 . . . . 10.0 107.81 178.627 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 55' ' ' ILE . . . . . 0.47 ' HA ' ' O ' ' C' ' 6' ' ' LEU . 22.3 mt -90.46 141.71 13.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.872 -0.604 . . . . 10.0 112.17 -177.43 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 16.1 tp -136.51 119.27 16.15 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 115.606 -0.725 . . . . 10.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -99.03 116.72 31.9 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.498 -0.927 . . . . 10.0 108.498 178.143 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 58' ' ' THR . . . . . 0.518 HG21 ' CE1' ' C' ' 71' ' ' TYR . 0.8 OUTLIER -105.58 171.34 7.38 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.363 -0.381 . . . . 10.0 111.778 -179.571 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.59 128.56 35.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.037 -0.528 . . . . 10.0 111.344 -179.33 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -105.81 25.3 24.53 Favored Glycine 0 N--CA 1.449 -0.475 0 CA-C-N 115.706 -0.679 . . . . 10.0 112.117 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -93.86 19.25 9.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.661 0.267 . . . . 10.0 111.302 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 59.05 -157.19 0.33 Allowed 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 115.864 -0.607 . . . . 10.0 112.098 179.761 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 73.86 -50.85 0.69 Allowed 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 123.369 0.668 . . . . 10.0 112.785 179.424 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 64' ' ' TYR . . . . . 0.642 ' HB3' ' HB3' ' C' ' 67' ' ' MET . 51.0 m-85 -70.21 96.07 1.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.132 0.419 . . . . 10.0 112.132 -179.469 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.5 -55.82 3.5 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.768 -0.651 . . . . 10.0 110.898 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.21 -38.34 90.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.461 -179.335 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 67' ' ' MET . . . . . 0.642 ' HB3' ' HB3' ' C' ' 64' ' ' TYR . 28.4 ttm -62.72 -41.8 99.34 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.636 179.398 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 68' ' ' ARG . . . . . 0.599 ' HA ' ' CE1' ' C' ' 71' ' ' TYR . 5.6 ttp180 -65.18 -41.13 94.9 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.826 -0.624 . . . . 10.0 109.857 179.721 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -61.97 -34.67 76.56 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.027 -0.988 . . . . 10.0 111.534 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -65.18 -60.24 3.23 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 113.212 0.819 . . . . 10.0 113.212 -178.791 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 71' ' ' TYR . . . . . 0.599 ' CE1' ' HA ' ' C' ' 68' ' ' ARG . 31.1 p90 -68.34 -15.46 63.57 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 113.956 1.095 . . . . 10.0 113.956 -177.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 72' ' ' MET . . . . . 0.456 ' HE3' ' HG2' ' C' ' 68' ' ' ARG . 40.2 mtt -67.97 -22.26 65.04 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.169 0.509 . . . . 10.0 111.039 179.728 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 23.2 mtt180 -81.12 -30.68 34.5 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.013 0.435 . . . . 10.0 110.414 179.591 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 10.6 m -81.12 -48.81 11.64 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.62 -0.718 . . . . 10.0 111.448 -179.486 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.32 135.06 50.15 Favored Glycine 0 C--N 1.33 0.247 0 CA-C-N 115.827 -0.624 . . . . 10.0 113.109 -179.227 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 76' ' ' GLU . . . . . 0.648 ' HG3' ' HB2' ' C' ' 5' ' ' LYS . 4.6 mt-10 -101.47 -42.24 6.33 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.669 -0.493 . . . . 10.0 109.669 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 77' ' ' GLY . . . . . 0.528 ' HA3' HD11 ' C' ' 163' ' ' ILE . . . -112.28 128.62 8.61 Favored Glycine 0 N--CA 1.445 -0.753 0 N-CA-C 110.581 -1.007 . . . . 10.0 110.581 179.094 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 78' ' ' PHE . . . . . 0.762 ' HB2' ' HG2' ' C' ' 111' ' ' MET . 98.1 m-85 -111.87 117.7 33.49 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.345 0.593 . . . . 10.0 111.969 -178.632 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 79' ' ' LEU . . . . . 0.534 HD13 HD22 ' C' ' 159' ' ' LEU . 14.6 tp -91.74 104.76 17.18 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.591 -0.732 . . . . 10.0 109.434 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 80' ' ' CYS . . . . . 0.619 ' HB3' HD12 ' C' ' 93' ' ' ILE . 23.5 m -85.12 94.95 8.98 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.703 -0.48 . . . . 10.0 109.703 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 81' ' ' VAL . . . . . 0.438 HG22 ' HB ' ' C' ' 114' ' ' VAL . 58.7 t -102.39 131.38 50.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.021 -0.536 . . . . 10.0 111.285 -178.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 82' ' ' PHE . . . . . 0.462 ' HE2' ' HG ' ' C' ' 113' ' ' LEU . 47.7 p90 -134.7 175.28 9.69 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.767 -0.651 . . . . 10.0 109.855 179.255 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -115.12 128.45 56.22 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.636 -0.505 . . . . 10.0 109.636 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 84' ' ' ILE . . . . . 0.505 HD11 ' HA ' ' C' ' 118' ' ' CYS . 37.1 pt -70.97 -8.5 11.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 112.995 0.739 . . . . 10.0 112.995 -178.788 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 26.4 p-10 -96.29 2.7 53.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.653 0.263 . . . . 10.0 111.095 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -146.33 106.08 3.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.931 0.396 . . . . 10.0 110.916 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 1.3 m -59.58 -29.28 67.84 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.915 -0.584 . . . . 10.0 112.027 -178.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -56.99 -36.14 70.02 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.405 -0.361 . . . . 10.0 111.161 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 87.7 p -69.87 -33.57 72.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.866 0.365 . . . . 10.0 111.2 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 90' ' ' PHE . . . . . 0.405 ' CZ ' ' HA ' ' C' ' 130' ' ' ALA . 18.5 t80 -74.42 -37.68 63.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.601 179.646 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -67.18 -36.41 81.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.275 -0.421 . . . . 10.0 110.242 179.378 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.93 -30.51 70.25 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.691 -0.686 . . . . 10.0 111.197 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 93' ' ' ILE . . . . . 0.619 HD12 ' HB3' ' C' ' 80' ' ' CYS . 50.6 mm -59.5 -39.5 79.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.747 179.737 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -61.87 -32.75 73.14 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.507 -179.64 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 33.5 m-70 -77.32 -44.92 27.84 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.685 -0.688 . . . . 10.0 110.122 179.572 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 96' ' ' TYR . . . . . 0.514 ' HE1' ' HD2' ' C' ' 68' ' ' ARG . 28.1 m-85 -58.04 -44.74 87.57 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.888 -0.596 . . . . 10.0 111.405 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -57.19 -47.4 81.35 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.819 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -68.56 -34.17 75.35 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.433 -0.349 . . . . 10.0 111.353 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -67.2 -46.55 73.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.554 -0.294 . . . . 10.0 110.416 179.388 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 83.3 mt -59.23 -46.5 92.18 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 CA-C-O 120.974 0.416 . . . . 10.0 110.71 179.616 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 32.3 mtmt -60.66 -31.9 71.11 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.382 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 -73.96 -47.62 36.21 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.867 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 47.1 t -67.67 -40.7 84.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 112.165 0.432 . . . . 10.0 112.165 -178.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 21.4 mtpp -82.99 -16.69 46.21 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 111.831 0.308 . . . . 10.0 111.831 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 13.6 t0 57.42 53.45 7.5 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.422 0.629 . . . . 10.0 110.465 -179.232 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 29.4 m -154.02 153.86 32.69 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.978 -0.555 . . . . 10.0 110.527 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -96.8 -26.72 15.02 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.407 0.622 . . . . 10.0 109.675 179.153 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -99.73 96.79 7.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.609 -0.723 . . . . 10.0 110.387 -179.626 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 24.1 t -123.28 128.96 25.09 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 116.156 -0.475 . . . . 10.0 109.97 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_exo -65.48 99.83 0.38 Allowed 'Trans proline' 0 C--O 1.233 0.26 0 C-N-CA 122.595 2.197 . . . . 10.0 111.557 179.163 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 111' ' ' MET . . . . . 0.762 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 60.8 mtm -133.66 151.03 51.57 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.52 -179.558 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 85.1 t -133.76 134.22 56.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.655 -0.498 . . . . 10.0 109.655 179.444 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 113' ' ' LEU . . . . . 0.462 ' HG ' ' HE2' ' C' ' 82' ' ' PHE . 14.3 tp -90.11 114.89 26.9 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.971 -0.752 . . . . 10.0 108.971 179.748 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 114' ' ' VAL . . . . . 0.438 ' HB ' HG22 ' C' ' 81' ' ' VAL . 79.5 t -119.79 123.08 70.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 121.07 0.462 . . . . 10.0 111.595 -178.566 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -102.99 111.17 3.9 Favored Glycine 0 N--CA 1.448 -0.56 0 N-CA-C 110.697 -0.961 . . . . 10.0 110.697 179.022 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -88.46 168.13 12.87 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.494 0.147 . . . . 10.0 111.367 -178.72 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 117' ' ' LYS . . . . . 0.493 ' HB3' HD12 ' C' ' 120' ' ' LEU . 85.2 mttt 61.3 37.92 16.78 Favored 'General case' 0 N--CA 1.462 0.144 0 O-C-N 123.658 0.599 . . . . 10.0 112.132 179.112 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 118' ' ' CYS . . . . . 0.505 ' HA ' HD11 ' C' ' 84' ' ' ILE . 65.6 m -73.51 -5.21 38.68 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.871 0.367 . . . . 10.0 111.799 179.602 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -91.03 -11.78 37.77 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.429 179.155 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 120' ' ' LEU . . . . . 0.493 HD12 ' HB3' ' C' ' 117' ' ' LYS . 17.3 mt -80.9 136.8 50.54 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.9 179.545 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -74.59 169.79 21.76 Favored 'Trans proline' 0 C--O 1.238 0.48 0 C-N-CA 122.877 2.385 . . . . 10.0 112.354 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 4.3 m 57.64 59.23 3.33 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.502 -0.772 . . . . 10.0 111.486 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 123' ' ' ARG . . . . . 0.451 HH11 ' HD3' ' C' ' 123' ' ' ARG . 0.3 OUTLIER -75.73 120.45 21.13 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.397 0.618 . . . . 10.0 111.138 179.669 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -73.84 -39.89 63.69 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.751 -0.659 . . . . 10.0 110.293 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 49.4 t -97.08 120.2 46.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.467 179.671 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 126' ' ' ASP . . . . . 0.41 ' O ' ' HG2' ' C' ' 129' ' ' GLN . 73.9 m-20 -81.9 159.03 23.75 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.022 179.433 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 127' ' ' THR . . . . . 0.567 HG23 ' HE2' ' C' ' 141' ' ' PHE . 3.6 m -67.44 -41.26 85.03 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.26 -0.427 . . . . 10.0 111.159 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 128' ' ' LYS . . . . . 0.941 ' HB2' ' HA ' ' B' ' 47' ' ' ASP . 17.8 pttp -55.53 -46.49 77.04 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.791 -0.641 . . . . 10.0 112.478 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 129' ' ' GLN . . . . . 0.41 ' HG2' ' O ' ' C' ' 126' ' ' ASP . 16.8 pt20 -69.29 -32.44 71.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.696 0.284 . . . . 10.0 111.067 -179.581 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 130' ' ' ALA . . . . . 0.405 ' HA ' ' CZ ' ' C' ' 90' ' ' PHE . . . -70.59 -42.64 70.77 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.103 -0.702 . . . . 10.0 109.103 179.174 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -71.35 -25.47 62.4 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.548 -0.751 . . . . 10.0 110.145 179.31 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -66.44 -45.83 78.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.471 0.653 . . . . 10.0 109.545 178.395 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 39.4 tp -69.63 -37.36 76.79 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.703 -0.681 . . . . 10.0 109.942 179.082 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.32 -33.95 76.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.598 -0.728 . . . . 10.0 109.999 179.012 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 20.2 ttm105 -65.54 -33.46 75.97 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.0 -0.546 . . . . 10.0 110.156 179.425 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 47.1 m -76.91 -32.25 57.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.742 178.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 11.2 m-30 -79.6 -30.75 41.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.011 -0.54 . . . . 10.0 111.933 -179.282 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 85.54 23.7 45.96 Favored Glycine 0 N--CA 1.447 -0.6 0 N-CA-C 110.449 -1.061 . . . . 10.0 110.449 -179.103 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 43.3 pt -117.63 154.54 50.84 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 115.367 -0.416 . . . . 10.0 110.462 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_endo -78.82 153.7 26.01 Favored 'Trans proline' 0 C--O 1.236 0.425 0 C-N-CA 122.455 2.103 . . . . 10.0 112.141 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 141' ' ' PHE . . . . . 0.567 ' HE2' HG23 ' C' ' 127' ' ' THR . 83.9 t80 -121.27 137.11 54.83 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.518 -0.765 . . . . 10.0 109.649 179.429 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 40.8 mt -133.51 133.62 57.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.959 0.409 . . . . 10.0 111.111 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -90.72 118.15 29.92 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 108.099 -1.074 . . . . 10.0 108.099 178.051 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 40.8 p -126.02 173.62 9.04 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.761 0.791 . . . . 10.0 113.004 -178.072 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 8.6 t -157.16 115.32 3.2 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.256 -1.338 . . . . 10.0 108.107 179.006 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -70.99 -28.78 64.68 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.827 0.346 . . . . 10.0 110.621 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 52.7 mttt -63.66 -45.75 88.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.93 -0.577 . . . . 10.0 111.658 179.469 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 16.1 p -95.77 -7.82 36.1 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.76 0.314 . . . . 10.0 111.523 -179.482 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 149' ' ' ARG . . . . . 0.44 ' HG3' ' HB3' ' C' ' 22' ' ' GLN . 21.5 ttt-85 61.21 31.13 19.55 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.771 -0.65 . . . . 10.0 112.231 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -96.24 126.33 41.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.477 -0.328 . . . . 10.0 110.7 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 85.59 -9.53 67.69 Favored Glycine 0 C--O 1.23 -0.153 0 CA-C-N 115.91 -0.586 . . . . 10.0 112.834 179.194 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 59.8 t -60.22 -42.56 90.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 111.848 0.314 . . . . 10.0 111.848 -179.148 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -65.06 -51.82 59.26 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.941 0.401 . . . . 10.0 111.407 -179.204 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 154' ' ' ASP . . . . . 0.592 ' HA ' ' HB2' ' C' ' 157' ' ' TYR . 7.4 t70 -65.18 -28.4 69.37 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.962 0.727 . . . . 10.0 112.962 -178.538 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -55.86 -45.37 78.48 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.973 0.416 . . . . 10.0 109.967 179.126 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 156' ' ' PHE . . . . . 0.491 ' CD2' HD22 ' C' ' 23' ' ' LEU . 77.1 m-85 -76.45 -39.9 52.08 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.157 179.118 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 157' ' ' TYR . . . . . 0.592 ' HB2' ' HA ' ' C' ' 154' ' ' ASP . 4.2 m-85 -56.66 -52.87 63.26 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.967 -0.561 . . . . 10.0 110.669 179.521 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 158' ' ' THR . . . . . 0.647 ' HA ' ' HE ' ' C' ' 161' ' ' ARG . 31.6 m -63.93 -35.74 81.65 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.828 -0.624 . . . . 10.0 111.76 -179.752 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 159' ' ' LEU . . . . . 0.534 HD22 HD13 ' C' ' 79' ' ' LEU . 53.0 tp -61.11 -42.01 97.74 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.435 -0.58 . . . . 10.0 109.435 178.372 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 54.9 t -67.49 -36.77 77.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.432 -0.804 . . . . 10.0 109.963 178.576 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 161' ' ' ARG . . . . . 0.647 ' HE ' ' HA ' ' C' ' 158' ' ' THR . 0.1 OUTLIER -60.56 -41.86 95.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.301 179.134 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -60.77 -42.53 97.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.163 179.059 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 163' ' ' ILE . . . . . 0.528 HD11 ' HA3' ' C' ' 77' ' ' GLY . 60.0 mt -63.43 -49.79 81.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.474 179.318 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 22.0 ttm180 -60.63 -42.79 97.58 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.572 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 165' ' ' LYS . . . . . 0.755 ' HD3' ' HB2' ' B' ' 135' ' ' ARG . 43.2 mtmt -63.68 -41.73 98.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.455 -0.338 . . . . 10.0 110.464 179.113 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 25.3 t-80 -61.07 -45.6 94.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.728 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 97.4 mttt . . . . . 0 C--N 1.33 -0.28 0 CA-C-O 120.802 0.334 . . . . 10.0 111.887 -179.953 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 66.1 mt . . . . . 0 C--O 1.234 0.284 0 CA-C-O 121.156 0.503 . . . . 10.0 110.435 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? -60.68 -44.25 96.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.579 -0.737 . . . . 10.0 111.142 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 97.3 mt -66.92 -36.87 83.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.282 -0.417 . . . . 10.0 111.243 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 95.6 mt -69.62 -45.33 68.77 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.336 -0.393 . . . . 10.0 111.154 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -66.8 -44.0 82.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.395 -0.366 . . . . 10.0 111.277 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 206' ' ' ASN . . . . . 0.405 ' O ' HG23 ' A' ' 210' ' ' VAL . 1.0 OUTLIER -64.49 -34.51 78.37 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.998 0.428 . . . . 10.0 110.498 -179.883 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 68.9 t90 -71.13 -32.88 69.54 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.807 -0.633 . . . . 10.0 109.93 178.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -59.28 -44.41 92.48 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.418 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 17.1 m -65.11 -34.72 79.07 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.061 -0.518 . . . . 10.0 111.043 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 210' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 206' ' ' ASN . 61.6 t -70.88 -38.57 73.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 109.643 -0.503 . . . . 10.0 109.643 179.077 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 27.9 m -61.06 -43.7 98.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.748 -0.66 . . . . 10.0 111.203 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.8 -29.01 68.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.37 0.605 . . . . 10.0 110.104 179.163 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 51.1 m -67.14 -41.04 86.74 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.87 -0.789 . . . . 10.0 108.87 178.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -62.95 -38.59 91.67 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.697 -0.683 . . . . 10.0 110.591 178.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 1.4 m -60.55 -51.42 69.5 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.123 -0.49 . . . . 10.0 109.95 179.023 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 39.0 mmtt -62.57 -38.94 92.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.468 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 217' ' ' LEU . . . . . 0.493 HD22 H222 ' A' ' 405' ' ' PCW . 57.1 mt -62.07 -45.92 91.39 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.11 -0.496 . . . . 10.0 110.235 179.098 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 218' ' ' ARG . . . . . 0.406 ' HA ' HD12 ' A' ' 221' ' ' LEU . 61.0 mtt180 -67.85 -36.82 81.0 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.31 -0.404 . . . . 10.0 110.611 179.359 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -66.18 -30.85 71.4 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.145 179.251 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -87.35 -26.08 23.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.15 179.043 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 221' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 218' ' ' ARG . 13.0 mt -60.51 -38.94 85.99 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.951 179.029 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -51.79 -62.7 5.36 Favored Glycine 0 CA--C 1.52 0.345 0 O-C-N 123.697 0.623 . . . . 10.0 111.831 179.049 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -56.3 -36.77 97.36 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 122.354 2.036 . . . . 10.0 110.797 177.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 14.9 t -58.73 -53.09 52.08 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.17 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.93 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 225' ' ' THR . . . . . 0.47 ' O ' ' HB2' ' A' ' 229' ' ' TRP . 0.7 OUTLIER -62.29 -37.34 85.13 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.777 0.322 . . . . 10.0 110.591 179.394 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -62.49 -54.68 36.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.581 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -62.79 -48.39 79.34 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.633 -0.712 . . . . 10.0 111.474 -179.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -58.7 -47.74 83.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.336 -0.393 . . . . 10.0 111.953 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 229' ' ' TRP . . . . . 0.47 ' HB2' ' O ' ' A' ' 225' ' ' THR . 1.1 m-90 -68.07 -35.94 79.02 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.781 -0.19 . . . . 10.0 111.273 179.757 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -59.75 -45.89 90.82 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.301 -0.629 . . . . 10.0 109.301 178.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 231' ' ' ASN . . . . . 0.564 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 81.1 m-20 -73.34 -36.54 66.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.787 -0.642 . . . . 10.0 110.362 179.352 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 232' ' ' LEU . . . . . 0.448 ' HB2' ' HA ' ' A' ' 229' ' ' TRP . 17.2 mt -61.55 -39.2 90.25 Favored 'General case' 0 CA--C 1.515 -0.379 0 N-CA-C 109.719 -0.474 . . . . 10.0 109.719 179.217 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -64.49 -31.17 72.26 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-N 115.542 -0.754 . . . . 10.0 110.122 178.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 234' ' ' LYS . . . . . 0.564 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 71.1 mttt -73.94 -36.63 64.67 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.074 -0.713 . . . . 10.0 109.074 178.561 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.11 -48.82 74.64 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 108.665 -0.865 . . . . 10.0 108.665 178.04 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -67.95 -35.48 78.47 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.545 -0.752 . . . . 10.0 109.928 179.246 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 237' ' ' GLU . . . . . 0.459 ' HA ' ' HD2' ' A' ' 240' ' ' ARG . 43.2 tt0 -58.72 -44.37 90.41 Favored 'General case' 0 CA--C 1.521 -0.16 0 N-CA-C 108.916 -0.772 . . . . 10.0 108.916 177.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -62.28 -44.6 97.45 Favored Glycine 0 N--CA 1.443 -0.89 0 N-CA-C 110.363 -1.095 . . . . 10.0 110.363 178.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 239' ' ' LEU . . . . . 0.409 ' HA ' ' HB2' ' A' ' 242' ' ' GLU . 93.5 mt -66.1 -30.28 70.76 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.824 0.345 . . . . 10.0 110.552 179.589 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 240' ' ' ARG . . . . . 0.459 ' HD2' ' HA ' ' A' ' 237' ' ' GLU . 62.0 mtt180 -69.04 -40.06 78.82 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.378 -0.601 . . . . 10.0 109.378 178.469 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 241' ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' A' ' 237' ' ' GLU . 23.5 mt-30 -73.52 -38.48 65.3 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.492 -0.929 . . . . 10.0 108.492 178.507 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 242' ' ' GLU . . . . . 0.409 ' HB2' ' HA ' ' A' ' 239' ' ' LEU . 11.2 mt-10 -66.44 -28.63 68.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.169 -0.923 . . . . 10.0 110.561 178.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 243' ' ' MET . . . . . 0.671 ' HG3' HD12 ' A' ' 247' ' ' LEU . 45.5 ttm -57.02 -32.66 66.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.487 -0.324 . . . . 10.0 110.617 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 244' ' ' SER . . . . . 0.578 ' HA ' ' HG3' ' A' ' 248' ' ' GLU . 3.5 m -70.01 1.21 4.81 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.805 179.253 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 245' ' ' LYS . . . . . 0.825 ' HA ' ' HG3' ' A' ' 249' ' ' GLU . 35.0 mttm -131.62 -59.61 0.95 Allowed 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.142 -0.481 . . . . 10.0 109.941 178.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 246' ' ' ASP . . . . . 0.632 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 1.6 t0 -55.1 -37.3 66.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.675 -0.693 . . . . 10.0 112.741 -178.781 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 247' ' ' LEU . . . . . 0.671 HD12 ' HG3' ' A' ' 243' ' ' MET . 40.0 mt -109.02 -26.09 10.36 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.194 0.442 . . . . 10.0 112.194 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 248' ' ' GLU . . . . . 0.578 ' HG3' ' HA ' ' A' ' 244' ' ' SER . 21.4 mm-40 -82.32 -49.21 10.29 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.068 0.395 . . . . 10.0 112.068 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 249' ' ' GLU . . . . . 0.825 ' HG3' ' HA ' ' A' ' 245' ' ' LYS . 64.2 mt-10 -66.9 -33.44 75.6 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.999 0.428 . . . . 10.0 109.878 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 250' ' ' VAL . . . . . 0.656 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 2.5 p -66.47 -34.89 73.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.749 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 68.1 mttt -79.78 -19.81 47.73 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.32 0.581 . . . . 10.0 110.781 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -84.94 -43.73 13.77 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.084 -0.71 . . . . 10.0 109.084 178.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 46.3 mttt -76.16 -24.88 54.84 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.529 -0.76 . . . . 10.0 111.071 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 254' ' ' VAL . . . . . 0.656 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 1.2 p -61.42 -24.53 33.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.611 0.243 . . . . 10.0 111.177 179.625 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 255' ' ' GLN . . . . . 0.586 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 11.4 mt-30 -60.06 -65.07 2.32 Favored Pre-proline 0 CA--C 1.535 0.402 0 CA-C-N 116.362 -0.381 . . . . 10.0 110.413 179.429 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 256' ' ' PRO . . . . . 0.586 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 36.7 Cg_endo -66.6 -30.15 43.02 Favored 'Trans proline' 0 C--N 1.355 0.916 0 C-N-CA 121.453 1.436 . . . . 10.0 111.55 178.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 5.4 m-30 -62.93 -52.88 61.32 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.897 0.379 . . . . 10.0 110.245 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 258' ' ' LEU . . . . . 0.509 ' HG ' HG22 ' A' ' 254' ' ' VAL . 21.1 mt -71.65 -39.21 70.5 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 116.15 -0.477 . . . . 10.0 111.25 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -61.09 -37.93 84.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.755 0.312 . . . . 10.0 110.798 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -67.69 -52.05 42.36 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 116.208 -0.451 . . . . 10.0 109.935 178.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 261' ' ' PHE . . . . . 0.524 ' O ' ' HB2' ' A' ' 265' ' ' TRP . 4.3 m-85 -61.94 -42.23 98.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.813 -0.63 . . . . 10.0 111.341 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -65.36 -39.2 92.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.398 -0.364 . . . . 10.0 110.773 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 263' ' ' LYS . . . . . 0.501 ' O ' ' HG3' ' A' ' 267' ' ' GLU . 2.4 ttmp? -64.29 -52.09 60.3 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.501 -0.555 . . . . 10.0 109.501 179.265 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 264' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -63.67 -35.06 79.3 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.676 -0.693 . . . . 10.0 110.51 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 265' ' ' TRP . . . . . 0.524 ' HB2' ' O ' ' A' ' 261' ' ' PHE . 0.3 OUTLIER -65.27 -37.16 86.33 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 115.927 -0.579 . . . . 10.0 110.306 179.2 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 266' ' ' GLN . . . . . 0.441 ' O ' ' HG3' ' A' ' 270' ' ' GLU . 58.5 mt-30 -62.76 -44.95 94.85 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.87 -0.789 . . . . 10.0 108.87 178.577 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 267' ' ' GLU . . . . . 0.501 ' HG3' ' O ' ' A' ' 263' ' ' LYS . 16.6 mt-10 -64.76 -42.21 95.31 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 108.592 -0.892 . . . . 10.0 108.592 178.23 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 268' ' ' GLU . . . . . 0.42 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 9.8 mt-10 -54.23 -45.09 72.22 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.712 -0.676 . . . . 10.0 110.724 179.214 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 90.2 mmm -74.45 -41.66 60.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.824 -0.626 . . . . 10.0 111.067 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 270' ' ' GLU . . . . . 0.441 ' HG3' ' O ' ' A' ' 266' ' ' GLN . 28.1 mt-10 -60.49 -39.47 87.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.951 0.405 . . . . 10.0 109.988 179.358 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 71.1 mt -65.96 -42.82 89.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.739 -0.664 . . . . 10.0 109.306 178.25 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 272' ' ' TYR . . . . . 0.436 ' HD1' ' HA ' ' A' ' 272' ' ' TYR . 1.4 m-30 -64.95 -32.19 73.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 10.0 110.674 178.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 273' ' ' ARG . . . . . 0.413 ' O ' HG12 ' A' ' 276' ' ' VAL . 88.2 mtt180 -74.39 -35.2 63.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.562 0.696 . . . . 10.0 109.602 178.202 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.59 -22.18 63.53 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.147 -0.933 . . . . 10.0 110.099 179.181 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 275' ' ' LYS . . . . . 0.624 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 11.8 mptt -99.11 -34.66 10.3 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.912 -0.585 . . . . 10.0 111.034 179.138 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 276' ' ' VAL . . . . . 0.413 HG12 ' O ' ' A' ' 273' ' ' ARG . 3.0 p -55.74 -37.66 47.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 112.697 0.628 . . . . 10.0 112.697 -178.709 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 277' ' ' GLU . . . . . 0.409 ' HB2' ' CD ' ' A' ' 278' ' ' PRO . 17.4 mt-10 -66.1 -60.74 6.48 Favored Pre-proline 0 CA--C 1.535 0.395 0 N-CA-C 112.096 0.406 . . . . 10.0 112.096 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 278' ' ' PRO . . . . . 0.455 ' O ' ' HG3' ' A' ' 282' ' ' GLU . 19.1 Cg_endo -59.98 -39.5 70.29 Favored 'Trans proline' 0 C--N 1.355 0.899 0 C-N-CA 121.988 1.792 . . . . 10.0 111.656 179.158 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 279' ' ' LEU . . . . . 0.713 HD22 ' HE3' ' D' ' 495' ' ' LYS . 24.3 mt -66.3 -40.34 89.93 Favored 'General case' 0 CA--C 1.521 -0.172 0 CA-C-N 116.746 -0.206 . . . . 10.0 110.677 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -65.13 -39.03 92.48 Favored 'General case' 0 CA--C 1.518 -0.254 0 N-CA-C 109.517 -0.549 . . . . 10.0 109.517 178.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -64.22 -43.66 94.3 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.517 -0.549 . . . . 10.0 109.517 178.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 282' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' A' ' 278' ' ' PRO . 50.5 mt-10 -61.62 -44.31 97.23 Favored 'General case' 0 C--O 1.231 0.108 0 N-CA-C 109.385 -0.598 . . . . 10.0 109.385 178.335 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 75.4 mt -63.26 -45.04 93.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.454 -0.793 . . . . 10.0 110.367 179.276 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -61.54 -55.16 34.03 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.12 -0.491 . . . . 10.0 111.11 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -61.91 -39.72 92.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.39 -0.368 . . . . 10.0 110.818 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -65.29 -47.37 80.8 Favored Glycine 0 N--CA 1.448 -0.545 0 N-CA-C 111.263 -0.735 . . . . 10.0 111.263 178.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -62.2 -36.01 80.62 Favored 'General case' 0 CA--C 1.519 -0.231 0 N-CA-C 110.067 -0.346 . . . . 10.0 110.067 179.307 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 288' ' ' ARG . . . . . 0.453 ' O ' ' HB2' ' A' ' 292' ' ' HIS . 90.7 mtt180 -56.53 -52.27 65.41 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.084 -0.507 . . . . 10.0 109.752 178.582 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -67.7 -46.71 71.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.829 -0.623 . . . . 10.0 111.159 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 290' ' ' LYS . . . . . 0.452 ' O ' ' HG ' ' A' ' 294' ' ' LEU . 69.7 mttt -59.99 -43.26 95.27 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.114 0.413 . . . . 10.0 112.114 -179.424 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 50.0 mt -75.66 -38.41 58.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.649 -0.251 . . . . 10.0 111.38 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 292' ' ' HIS . . . . . 0.458 ' O ' ' HG2' ' A' ' 296' ' ' GLU . 33.0 t-80 -61.46 -42.13 98.29 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.847 -0.427 . . . . 10.0 109.847 179.441 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -61.95 -40.3 95.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.718 -0.674 . . . . 10.0 109.298 178.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 294' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 290' ' ' LYS . 48.7 mt -63.87 -36.69 84.74 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.753 -0.658 . . . . 10.0 110.304 179.074 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -64.25 -40.2 95.52 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.113 0.482 . . . . 10.0 110.256 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 296' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 292' ' ' HIS . 5.1 mm-40 -66.33 -13.79 61.07 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.789 -0.641 . . . . 10.0 110.36 179.11 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 297' ' ' LYS . . . . . 0.401 ' HB3' HD12 ' A' ' 301' ' ' LEU . 25.5 mmtp -118.32 13.36 13.63 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.521 0.677 . . . . 10.0 109.833 178.708 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 298' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 294' ' ' LEU . 0.5 OUTLIER -115.47 -40.67 3.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.547 -0.751 . . . . 10.0 110.549 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 299' ' ' SER . . . . . 0.503 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 0.7 OUTLIER -72.95 -62.34 1.32 Allowed Pre-proline 0 C--N 1.322 -0.587 0 N-CA-C 112.112 0.412 . . . . 10.0 112.112 179.883 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 300' ' ' PRO . . . . . 0.503 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 34.9 Cg_endo -66.15 -46.93 3.87 Favored 'Trans proline' 0 C--N 1.356 0.969 0 C-N-CA 121.609 1.539 . . . . 10.0 112.119 -179.28 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 301' ' ' LEU . . . . . 0.789 HD13 ' HG3' ' D' ' 473' ' ' LYS . 67.3 mt -69.0 -23.1 64.06 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.049 179.477 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -75.65 -46.14 15.49 Favored Glycine 0 C--O 1.225 -0.428 0 N-CA-C 109.668 -1.373 . . . . 10.0 109.668 178.113 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -62.59 -39.32 93.35 Favored 'General case' 0 CA--C 1.517 -0.312 0 N-CA-C 109.336 -0.616 . . . . 10.0 109.336 177.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -63.58 -44.21 94.73 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.434 -0.803 . . . . 10.0 109.445 178.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 6.5 tpt -63.82 -39.98 95.53 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.572 -0.529 . . . . 10.0 109.572 178.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 59.1 mtt180 -66.0 -38.04 87.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.002 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 307' ' ' ASP . . . . . 0.665 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 0.3 OUTLIER -66.07 -43.26 87.9 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.84 -0.618 . . . . 10.0 109.659 179.199 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 20.0 mmt180 -68.98 -31.18 69.85 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.928 -0.578 . . . . 10.0 109.807 178.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 309' ' ' ALA . . . . . 0.579 ' HA ' ' HB2' ' A' ' 312' ' ' HIS . . . -66.88 -32.81 74.31 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.791 -0.641 . . . . 10.0 109.378 178.582 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 310' ' ' ARG . . . . . 0.665 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 74.5 mtt180 -59.09 -48.06 82.99 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 109.012 -0.736 . . . . 10.0 109.012 178.497 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -70.49 -35.27 73.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.826 -0.625 . . . . 10.0 109.77 178.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 312' ' ' HIS . . . . . 0.579 ' HB2' ' HA ' ' A' ' 309' ' ' ALA . 0.3 OUTLIER -53.57 -49.68 67.2 Favored 'General case' 0 N--CA 1.462 0.139 0 N-CA-C 109.26 -0.645 . . . . 10.0 109.26 178.467 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 313' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 309' ' ' ALA . 24.1 t -79.35 -38.44 19.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.408 -0.815 . . . . 10.0 111.115 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -59.56 -45.93 90.37 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 120.814 0.34 . . . . 10.0 111.705 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -64.46 -39.23 93.41 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.24 -0.652 . . . . 10.0 109.24 178.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 19.8 mt -64.69 -46.46 82.32 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-N 115.767 -0.651 . . . . 10.0 109.873 179.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 12.0 mtm105 -62.04 -43.13 99.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.1 0.476 . . . . 10.0 110.445 179.09 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 93.5 m -62.9 -28.6 70.16 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.556 -0.747 . . . . 10.0 110.445 179.328 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 319' ' ' HIS . . . . . 0.526 ' CE1' ' HB2' ' D' ' 458' ' ' ASP . 0.1 OUTLIER -88.28 -36.38 16.73 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.861 -0.608 . . . . 10.0 110.792 179.267 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 320' ' ' LEU . . . . . 0.504 ' HA ' ' HB2' ' A' ' 323' ' ' TYR . 78.1 mt -72.67 -26.65 61.7 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.907 0.336 . . . . 10.0 111.907 -179.624 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 321' ' ' ALA . . . . . 0.413 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -55.57 -58.9 13.05 Favored Pre-proline 0 CA--C 1.534 0.363 0 C-N-CA 121.236 -0.186 . . . . 10.0 111.464 178.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 322' ' ' PRO . . . . . 0.413 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 38.6 Cg_endo -70.1 -28.63 23.39 Favored 'Trans proline' 0 C--N 1.357 0.999 0 C-N-CA 121.577 1.518 . . . . 10.0 111.14 178.351 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 323' ' ' TYR . . . . . 0.504 ' HB2' ' HA ' ' A' ' 320' ' ' LEU . 8.9 m-30 -64.97 -51.94 59.0 Favored 'General case' 0 C--O 1.227 -0.125 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.816 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 324' ' ' SER . . . . . 0.419 ' HA ' ' HB2' ' A' ' 327' ' ' LEU . 22.6 p -63.85 -36.54 84.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.536 -0.302 . . . . 10.0 110.552 179.522 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -59.45 -52.7 64.48 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.514 -0.55 . . . . 10.0 109.514 178.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -70.38 -24.56 62.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.612 -0.722 . . . . 10.0 111.024 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 327' ' ' LEU . . . . . 0.419 ' HB2' ' HA ' ' A' ' 324' ' ' SER . 13.3 mt -66.65 -39.08 88.08 Favored 'General case' 0 N--CA 1.462 0.125 0 N-CA-C 108.906 -0.775 . . . . 10.0 108.906 178.18 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 53.8 mtt180 -67.88 -35.85 79.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.67 -0.695 . . . . 10.0 109.156 178.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -68.92 -41.8 77.66 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.361 -0.836 . . . . 10.0 109.002 178.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 330' ' ' ARG . . . . . 0.743 HH21 ' HB2' ' D' ' 447' ' ' GLU . 27.1 mtt180 -61.79 -46.48 89.37 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 115.677 -0.692 . . . . 10.0 109.264 177.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 7.2 mt -58.9 -46.12 88.62 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 115.352 -0.84 . . . . 10.0 110.01 179.009 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -60.18 -46.35 90.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.427 -0.351 . . . . 10.0 110.391 179.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -61.25 -45.61 93.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.883 -0.599 . . . . 10.0 110.837 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 334' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 334' ' ' ARG . 33.3 mtt-85 -67.41 -45.72 75.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.027 -0.533 . . . . 10.0 111.063 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 46.1 mt -60.62 -42.29 96.56 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 116.58 -0.282 . . . . 10.0 110.523 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -62.39 -45.67 92.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.156 179.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -63.44 -48.66 76.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.091 -0.504 . . . . 10.0 109.738 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 80.8 mt -64.27 -22.39 66.93 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.744 -0.662 . . . . 10.0 111.045 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -82.76 -43.93 16.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.637 -0.256 . . . . 10.0 110.341 178.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 73.9 mt-10 -62.79 -56.6 15.98 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.5 -0.926 . . . . 10.0 108.5 177.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -62.92 -39.58 94.98 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 114.756 -1.111 . . . . 10.0 109.686 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 342' ' ' GLY . . . . . 0.509 ' O ' ' HG ' ' A' ' 346' ' ' LEU . . . -60.45 -44.03 98.11 Favored Glycine 0 N--CA 1.449 -0.499 0 CA-C-N 115.631 -0.713 . . . . 10.0 111.954 179.685 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -61.15 -41.6 99.52 Favored Glycine 0 N--CA 1.449 -0.461 0 N-CA-C 110.969 -0.852 . . . . 10.0 110.969 178.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -65.01 -44.91 87.64 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.712 -0.477 . . . . 10.0 109.712 178.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 345' ' ' ARG . . . . . 0.441 ' HG2' ' OD1' ' D' ' 429' ' ' ASN . 30.9 mtm180 -59.79 -43.21 94.54 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.422 179.114 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 346' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 342' ' ' GLY . 48.0 mt -63.31 -47.3 82.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.906 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.63 -44.87 95.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.957 0.408 . . . . 10.0 110.435 179.395 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 348' ' ' GLU . . . . . 0.584 ' OE2' ' HB2' ' D' ' 429' ' ' ASN . 12.5 tt0 -66.42 -43.15 86.51 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.71 -0.677 . . . . 10.0 110.557 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 349' ' ' TYR . . . . . 0.715 ' HE1' ' H19' ' A' ' 401' ' ' PCW . 2.3 t80 -66.8 -34.84 78.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.582 -0.281 . . . . 10.0 110.729 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 3.8 m170 -64.5 -45.44 87.29 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.921 -0.77 . . . . 10.0 108.921 178.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -63.61 -41.84 98.27 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.272 -0.64 . . . . 10.0 109.272 178.381 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 10.8 ttmm -59.23 -48.41 81.73 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.53 -0.759 . . . . 10.0 110.067 178.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -62.76 -36.98 84.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.339 179.307 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 33.4 m -63.1 -46.17 88.62 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.244 -0.435 . . . . 10.0 109.857 179.23 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -67.15 -41.82 85.41 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.13 -0.486 . . . . 10.0 109.852 178.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -59.38 -38.55 80.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.9 -0.591 . . . . 10.0 110.557 178.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 30.8 mt -63.64 -37.57 87.82 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.437 -0.347 . . . . 10.0 111.183 179.135 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 19.7 m -62.98 -46.27 88.47 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.731 -0.47 . . . . 10.0 109.731 179.062 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -73.78 -29.41 62.18 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.849 179.037 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 20.3 tp -66.27 -34.63 78.43 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.952 -0.759 . . . . 10.0 108.952 178.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 50.9 m -63.08 -26.56 68.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.438 -0.801 . . . . 10.0 110.283 178.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -66.33 -28.15 68.45 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.311 -0.625 . . . . 10.0 109.311 178.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 363' ' ' LYS . . . . . 0.83 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 37.4 mtmt -91.84 -21.91 20.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.527 -0.76 . . . . 10.0 110.145 179.392 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 364' ' ' ALA . . . . . 0.462 ' HA ' HD12 ' A' ' 368' ' ' LEU . . . -87.76 -30.54 20.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.048 -0.524 . . . . 10.0 112.41 -178.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 365' ' ' LYS . . . . . 0.663 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 64.8 mttt -109.87 -72.62 0.02 OUTLIER Pre-proline 0 C--N 1.327 -0.407 0 N-CA-C 113.319 0.859 . . . . 10.0 113.319 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 366' ' ' PRO . . . . . 0.663 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 38.3 Cg_exo -58.79 -56.65 1.33 Allowed 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 122.145 1.897 . . . . 10.0 113.052 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 367' ' ' ALA . . . . . 0.83 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -60.99 -45.78 93.42 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 111.618 0.229 . . . . 10.0 111.618 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 368' ' ' LEU . . . . . 0.462 HD12 ' HA ' ' A' ' 364' ' ' ALA . 5.5 mt -63.48 -40.88 98.26 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 121.014 -0.274 . . . . 10.0 110.871 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -62.15 -44.26 97.01 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.785 -0.82 . . . . 10.0 108.785 178.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -60.72 -44.27 96.82 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.258 -0.883 . . . . 10.0 110.29 179.234 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 371' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 367' ' ' ALA . 94.7 mt -63.89 -44.4 93.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.753 -0.658 . . . . 10.0 110.559 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 372' ' ' ARG . . . . . 0.587 ' O ' ' HG ' ' A' ' 376' ' ' LEU . 60.8 mtt180 -60.13 -45.35 93.33 Favored 'General case' 0 CA--C 1.519 -0.227 0 N-CA-C 109.672 -0.492 . . . . 10.0 109.672 179.259 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -61.74 -36.72 81.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.795 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -76.71 -28.11 59.77 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.931 -0.652 . . . . 10.0 112.285 179.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 51.6 mt -79.6 -23.62 42.56 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 111.801 0.297 . . . . 10.0 111.801 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 376' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' A' ' 372' ' ' ARG . 75.7 mt -56.04 -57.77 20.21 Favored Pre-proline 0 CA--C 1.535 0.393 0 N-CA-C 111.973 0.36 . . . . 10.0 111.973 179.489 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -66.48 -27.18 46.83 Favored 'Trans proline' 0 C--N 1.357 0.994 0 C-N-CA 121.825 1.683 . . . . 10.0 110.53 178.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 20.3 t -63.95 -46.72 93.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 109.094 -0.706 . . . . 10.0 109.094 178.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 68.9 mt -64.94 -37.11 86.57 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 109.289 -0.634 . . . . 10.0 109.289 178.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -58.55 -50.16 74.79 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.693 -0.685 . . . . 10.0 110.615 179.073 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 2.1 p -69.41 -41.18 76.73 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.094 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -60.26 -37.35 80.16 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 116.303 -0.408 . . . . 10.0 110.669 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 78.3 mttt -59.87 -44.55 94.11 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 109.663 -0.495 . . . . 10.0 109.663 178.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 41.4 t -64.3 -43.44 97.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.002 179.312 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 37.2 m -63.15 -42.59 99.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.866 -0.606 . . . . 10.0 111.373 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -66.94 -42.82 84.66 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.519 -0.31 . . . . 10.0 110.492 179.208 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 76.6 mt -62.89 -48.02 80.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.981 -0.554 . . . . 10.0 111.253 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 388' ' ' SER . . . . . 0.433 ' HB2' ' HE2' ' D' ' 594' ' ' LYS . 8.8 p -65.22 -36.3 83.71 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.485 -0.325 . . . . 10.0 110.786 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -64.6 -42.35 95.63 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 116.299 -0.41 . . . . 10.0 110.216 179.118 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 45.9 mt -60.3 -41.93 94.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.656 -0.702 . . . . 10.0 109.766 179.311 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -69.27 -43.18 74.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.857 -0.61 . . . . 10.0 110.152 178.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -56.69 -47.05 80.76 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.359 -0.382 . . . . 10.0 111.163 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -64.1 -43.17 96.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.739 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 22.9 m -66.71 -41.53 87.82 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.384 -0.371 . . . . 10.0 111.643 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -63.62 -36.24 83.18 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 113.377 0.881 . . . . 10.0 113.377 -178.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 396' ' ' LYS . . . . . 0.418 ' HG2' ' HB2' ' D' ' 587' ' ' ALA . 0.7 OUTLIER -99.66 -29.51 12.62 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 114.351 1.241 . . . . 10.0 114.351 -177.853 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 84.2 mt -89.39 -17.19 29.29 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.683 0.623 . . . . 10.0 112.683 -178.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 50.1 t30 . . . . . 0 C--N 1.324 -0.542 0 C-N-CA 120.989 -0.284 . . . . 10.0 111.129 -179.503 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 3.2 mm? . . . . . 0 C--O 1.234 0.288 0 CA-C-O 121.137 0.494 . . . . 10.0 110.453 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 400' ' ' LYS . . . . . 0.435 ' HE2' ' HB2' ' D' ' 400' ' ' LYS . 4.1 mppt? -106.51 31.55 5.13 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.664 -0.698 . . . . 10.0 109.879 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 72.1 mt -59.4 -44.29 92.83 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.837 -0.62 . . . . 10.0 111.201 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 97.4 mt -60.66 -35.68 76.84 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.551 -0.295 . . . . 10.0 111.184 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -73.86 -37.79 64.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.232 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -72.12 -41.09 67.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.156 -0.474 . . . . 10.0 110.804 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 15.7 m95 -66.14 -26.66 67.54 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.57 179.515 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -64.25 -46.15 85.02 Favored 'General case' 0 CA--C 1.515 -0.379 0 N-CA-C 109.863 -0.421 . . . . 10.0 109.863 179.135 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.94 -42.01 79.27 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.2 -0.455 . . . . 10.0 109.816 178.76 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 18.3 t -67.4 -37.16 78.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.261 0.553 . . . . 10.0 110.759 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 33.5 m -67.51 -34.77 77.8 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.307 0.575 . . . . 10.0 109.533 178.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 13.0 m -67.81 -46.65 71.3 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.626 -0.715 . . . . 10.0 109.961 178.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 3.0 p -64.3 -37.32 87.09 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-O 120.802 0.334 . . . . 10.0 110.468 178.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 412' ' ' PHE . . . . . 0.413 ' HD1' ' HA ' ' D' ' 412' ' ' PHE . 3.0 m-30 -62.52 -40.98 98.5 Favored 'General case' 0 C--O 1.231 0.12 0 N-CA-C 108.97 -0.752 . . . . 10.0 108.97 177.555 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 413' ' ' SER . . . . . 0.605 ' HA ' ' HD2' ' D' ' 416' ' ' ARG . 63.9 m -66.67 -35.89 81.22 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.865 -0.607 . . . . 10.0 109.389 178.363 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 36.6 mmtt -63.12 -35.67 81.03 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.736 -0.666 . . . . 10.0 109.801 177.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 96.0 mt -67.16 -38.08 84.86 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.096 -0.705 . . . . 10.0 109.096 178.051 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 416' ' ' ARG . . . . . 0.605 ' HD2' ' HA ' ' D' ' 413' ' ' SER . 95.9 mtt180 -66.05 -37.55 86.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.63 -0.714 . . . . 10.0 109.719 178.697 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 69.0 mt-10 -61.19 -32.78 72.53 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.045 178.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -82.21 -45.9 14.45 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.56 -0.746 . . . . 10.0 110.038 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 41.2 mt -47.46 -42.09 21.88 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 115.789 -0.641 . . . . 10.0 112.656 -179.28 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -52.0 -73.71 0.36 Allowed Glycine 0 CA--C 1.522 0.524 0 C-N-CA 121.268 -0.491 . . . . 10.0 112.235 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -60.77 -35.4 89.1 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.428 2.086 . . . . 10.0 112.148 178.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 3.1 t -58.91 -45.75 91.67 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 O-C-N 123.178 0.299 . . . . 10.0 111.424 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 18.3 p -69.9 -33.11 71.76 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.975 0.417 . . . . 10.0 110.317 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -63.99 -50.12 69.78 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.766 -0.652 . . . . 10.0 109.995 178.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -71.54 -30.58 66.06 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.246 -0.434 . . . . 10.0 110.453 178.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -62.64 -44.59 95.89 Favored 'General case' 0 C--O 1.224 -0.279 0 N-CA-C 109.042 -0.725 . . . . 10.0 109.042 178.428 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 1.6 m0 -64.96 -38.28 90.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.634 -0.712 . . . . 10.0 110.311 178.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 428' ' ' ASP . . . . . 0.403 ' O ' ' HG3' ' D' ' 432' ' ' LYS . 3.1 t70 -65.83 -41.32 91.92 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.136 -0.691 . . . . 10.0 109.136 179.06 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 429' ' ' ASN . . . . . 0.584 ' HB2' ' OE2' ' A' ' 348' ' ' GLU . 16.1 t30 -66.67 -42.82 85.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.364 -0.835 . . . . 10.0 109.868 178.505 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 70.6 mt -58.61 -43.41 89.6 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.16 179.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -65.44 -36.57 84.32 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.36 178.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 432' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' D' ' 428' ' ' ASP . 41.6 mttp -64.76 -48.25 75.22 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.37 -0.604 . . . . 10.0 109.37 178.54 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -64.54 -47.69 77.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.831 -0.622 . . . . 10.0 111.573 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 434' ' ' THR . . . . . 0.526 ' O ' ' HB2' ' D' ' 438' ' ' ARG . 19.8 p -61.89 -38.8 89.69 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.767 0.284 . . . . 10.0 111.767 -179.572 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -72.77 -37.77 67.54 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.925 -0.398 . . . . 10.0 109.925 178.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 436' ' ' GLY . . . . . 0.467 ' O ' ' HG2' ' D' ' 439' ' ' GLN . . . -63.31 -49.75 68.17 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 110.318 -1.113 . . . . 10.0 110.318 178.277 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 437' ' ' LEU . . . . . 0.441 HD23 ' OE1' ' D' ' 440' ' ' GLU . 39.2 mt -67.58 -26.09 66.1 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 109.917 -0.401 . . . . 10.0 109.917 178.575 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 438' ' ' ARG . . . . . 0.526 ' HB2' ' O ' ' D' ' 434' ' ' THR . 25.0 ttm180 -63.25 -48.46 78.14 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.797 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 439' ' ' GLN . . . . . 0.467 ' HG2' ' O ' ' D' ' 436' ' ' GLY . 16.1 pt20 -64.86 -33.3 75.68 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 121.075 0.464 . . . . 10.0 110.011 179.533 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 440' ' ' GLU . . . . . 0.441 ' OE1' HD23 ' D' ' 437' ' ' LEU . 59.3 mt-10 -72.28 -38.26 68.85 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 109.17 -0.678 . . . . 10.0 109.17 179.238 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 58.9 mmm -66.87 -42.02 86.32 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 115.543 -0.753 . . . . 10.0 112.163 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.84 -48.17 80.2 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.832 -0.433 . . . . 10.0 109.832 179.263 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -63.42 -39.86 95.62 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.792 -0.64 . . . . 10.0 109.854 179.07 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 444' ' ' ASP . . . . . 0.419 ' HB2' ' O ' ' D' ' 440' ' ' GLU . 5.5 t70 -65.19 -54.79 24.26 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 115.837 -0.62 . . . . 10.0 110.828 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 73.3 mt -59.51 -46.56 88.48 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.164 0.431 . . . . 10.0 112.164 -179.275 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -60.49 -48.06 83.42 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.42 -0.354 . . . . 10.0 110.947 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 447' ' ' GLU . . . . . 0.743 ' HB2' HH21 ' A' ' 330' ' ' ARG . 63.8 mt-10 -67.65 -32.45 73.15 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.815 179.294 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 2.1 t -58.44 -38.87 72.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.777 0.323 . . . . 10.0 110.266 179.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 85.1 mttt -65.26 -31.1 72.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.026 0.441 . . . . 10.0 109.971 179.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -97.05 10.56 38.94 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.89 -0.595 . . . . 10.0 111.397 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 451' ' ' LYS . . . . . 0.472 ' HB3' H271 ' D' ' 601' ' ' PCW . 59.2 mttm -124.86 -45.67 1.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.328 -0.397 . . . . 10.0 111.274 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 73.7 t -70.42 -42.97 78.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.463 -0.335 . . . . 10.0 110.99 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -57.31 -57.17 26.83 Favored Pre-proline 0 CA--C 1.536 0.431 0 N-CA-C 112.01 0.374 . . . . 10.0 112.01 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -63.43 -27.48 70.76 Favored 'Trans proline' 0 C--N 1.356 0.954 0 C-N-CA 122.107 1.872 . . . . 10.0 111.482 178.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 455' ' ' TYR . . . . . 0.437 ' HB2' ' O ' ' D' ' 451' ' ' LYS . 9.9 t80 -71.76 -39.77 69.76 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.196 -0.668 . . . . 10.0 109.196 178.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 21.8 mt -66.59 -38.63 87.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.676 -0.693 . . . . 10.0 109.154 178.306 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -65.26 -45.73 83.38 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.75 -0.659 . . . . 10.0 109.344 178.543 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 458' ' ' ASP . . . . . 0.526 ' HB2' ' CE1' ' A' ' 319' ' ' HIS . 11.9 t70 -60.29 -44.45 95.38 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.373 -0.83 . . . . 10.0 109.533 178.656 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -66.77 -43.46 83.97 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.438 -0.801 . . . . 10.0 110.536 179.322 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -58.18 -41.31 83.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.739 0.304 . . . . 10.0 110.624 179.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 461' ' ' LYS . . . . . 0.42 ' O ' ' HG3' ' D' ' 465' ' ' GLU . 67.5 mttt -64.28 -42.72 96.29 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.772 -0.455 . . . . 10.0 109.772 178.645 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 462' ' ' LYS . . . . . 0.455 ' HB3' H281 ' D' ' 602' ' ' PCW . 0.4 OUTLIER -67.42 -39.09 85.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.3 178.901 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 38.9 m0 -65.42 -40.71 93.67 Favored 'General case' 0 CA--C 1.517 -0.323 0 N-CA-C 109.428 -0.582 . . . . 10.0 109.428 178.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -60.03 -50.38 73.96 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 109.18 -0.674 . . . . 10.0 109.18 178.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 465' ' ' GLU . . . . . 0.464 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 42.6 mt-10 -61.89 -45.47 93.61 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 116.154 -0.476 . . . . 10.0 109.917 179.13 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 22.7 tp10 -56.33 -51.23 69.02 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.661 -0.7 . . . . 10.0 110.321 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 73.7 mtm -65.75 -41.46 92.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.881 -0.6 . . . . 10.0 111.118 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -59.6 -48.16 82.76 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.187 -0.671 . . . . 10.0 109.187 178.344 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 469' ' ' LEU . . . . . 0.556 ' O ' ' HB2' ' D' ' 473' ' ' LYS . 91.3 mt -61.56 -31.18 71.21 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.559 -0.746 . . . . 10.0 110.551 179.387 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 16.5 m-30 -71.35 -36.06 71.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.157 0.504 . . . . 10.0 110.048 178.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 74.6 mtt85 -76.4 -17.57 59.29 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.416 0.627 . . . . 10.0 109.637 178.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -101.04 1.49 39.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.434 -0.803 . . . . 10.0 110.647 178.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 473' ' ' LYS . . . . . 0.789 ' HG3' HD13 ' A' ' 301' ' ' LEU . 0.1 OUTLIER -134.26 -71.06 0.5 Allowed 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.043 179.59 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 51.1 t -54.66 -44.53 70.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.054 -0.521 . . . . 10.0 111.675 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 475' ' ' GLU . . . . . 0.48 ' O ' ' HB2' ' D' ' 478' ' ' ARG . 25.5 mt-10 -62.4 -59.0 14.11 Favored Pre-proline 0 CA--C 1.535 0.4 0 N-CA-C 113.036 0.754 . . . . 10.0 113.036 179.643 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -63.59 -36.08 55.44 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 121.539 1.493 . . . . 10.0 111.397 178.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 477' ' ' LEU . . . . . 0.497 ' HB2' ' O ' ' D' ' 473' ' ' LYS . 11.3 mt -67.24 -24.22 65.79 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 116.544 -0.298 . . . . 10.0 110.374 179.015 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 478' ' ' ARG . . . . . 0.614 ' O ' ' HB2' ' D' ' 482' ' ' GLN . 22.8 mtt180 -63.07 -34.37 77.44 Favored 'General case' 0 C--O 1.224 -0.289 0 N-CA-C 108.583 -0.895 . . . . 10.0 108.583 178.281 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -74.91 -43.6 53.38 Favored 'General case' 0 N--CA 1.456 -0.175 0 N-CA-C 109.361 -0.607 . . . . 10.0 109.361 179.032 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.25 -41.9 98.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.329 0.585 . . . . 10.0 110.255 178.773 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 80.9 mt -71.96 -37.31 69.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.781 -0.645 . . . . 10.0 109.878 179.012 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 482' ' ' GLN . . . . . 0.614 ' HB2' ' O ' ' D' ' 478' ' ' ARG . 13.8 tt0 -66.02 -41.27 91.18 Favored 'General case' 0 C--O 1.225 -0.218 0 N-CA-C 109.562 -0.532 . . . . 10.0 109.562 179.055 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 483' ' ' GLU . . . . . 0.408 ' OE2' ' HD2' ' D' ' 486' ' ' ARG . 2.7 tp10 -65.39 -41.84 93.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.251 0.548 . . . . 10.0 109.574 179.051 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -65.25 -36.61 93.01 Favored Glycine 0 N--CA 1.444 -0.816 0 N-CA-C 109.958 -1.257 . . . . 10.0 109.958 178.017 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -69.04 -40.06 78.82 Favored 'General case' 0 C--O 1.224 -0.276 0 N-CA-C 109.873 -0.417 . . . . 10.0 109.873 178.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 486' ' ' ARG . . . . . 0.408 ' HD2' ' OE2' ' D' ' 483' ' ' GLU . 59.1 mtt180 -62.71 -45.8 91.07 Favored 'General case' 0 CA--C 1.516 -0.354 0 N-CA-C 109.553 -0.536 . . . . 10.0 109.553 179.022 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -63.16 -41.07 99.2 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 115.952 -0.567 . . . . 10.0 109.594 178.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 488' ' ' LYS . . . . . 0.509 ' O ' ' HG ' ' D' ' 492' ' ' LEU . 82.5 tttt -63.01 -43.06 99.8 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 115.389 -0.823 . . . . 10.0 109.573 178.729 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 489' ' ' LEU . . . . . 0.417 ' O ' ' HG3' ' D' ' 493' ' ' GLN . 71.0 mt -64.07 -42.67 96.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.914 -0.585 . . . . 10.0 110.049 178.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -62.49 -45.01 94.97 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.257 -0.646 . . . . 10.0 109.257 178.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -59.57 -41.0 89.2 Favored 'General case' 0 CA--C 1.518 -0.254 0 N-CA-C 109.155 -0.683 . . . . 10.0 109.155 178.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 492' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' D' ' 488' ' ' LYS . 93.0 mt -66.31 -38.48 87.83 Favored 'General case' 0 C--O 1.221 -0.402 0 CA-C-N 115.542 -0.754 . . . . 10.0 110.185 178.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 493' ' ' GLN . . . . . 0.417 ' HG3' ' O ' ' D' ' 489' ' ' LEU . 94.0 mt-30 -61.64 -42.9 99.55 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.338 0.59 . . . . 10.0 110.112 179.205 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -72.17 0.89 8.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.539 -0.755 . . . . 10.0 111.334 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 495' ' ' LYS . . . . . 0.713 ' HE3' HD22 ' A' ' 279' ' ' LEU . 43.2 mttp -116.84 -45.94 2.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.156 -0.474 . . . . 10.0 110.09 179.385 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 95.6 mt -67.46 -13.71 62.27 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.073 -0.512 . . . . 10.0 112.328 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 497' ' ' SER . . . . . 0.457 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 14.3 m -87.5 -61.98 0.23 Allowed Pre-proline 0 C--N 1.326 -0.442 0 C-N-CA 120.806 -0.358 . . . . 10.0 111.015 179.053 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 498' ' ' PRO . . . . . 0.457 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 24.3 Cg_endo -63.71 -48.82 4.94 Favored 'Trans proline' 0 C--N 1.356 0.923 0 C-N-CA 121.73 1.62 . . . . 10.0 110.66 179.217 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 499' ' ' LEU . . . . . 0.457 ' HB2' ' O ' ' D' ' 495' ' ' LYS . 98.3 mt -70.1 -27.84 64.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.423 -0.353 . . . . 10.0 110.209 179.332 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -67.23 -48.88 56.46 Favored Glycine 0 N--CA 1.45 -0.369 0 N-CA-C 110.607 -0.997 . . . . 10.0 110.607 179.028 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -69.58 -35.09 75.04 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.545 -0.539 . . . . 10.0 109.545 178.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 502' ' ' GLU . . . . . 0.488 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 34.4 tt0 -65.62 -45.76 81.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.013 -0.54 . . . . 10.0 109.978 179.005 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 503' ' ' MET . . . . . 0.459 ' HA ' ' HD2' ' D' ' 506' ' ' ARG . 14.1 tmm? -63.31 -38.69 92.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.958 -0.564 . . . . 10.0 109.528 179.271 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 64.5 mtt180 -64.64 -39.28 93.41 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.06 -0.718 . . . . 10.0 109.06 178.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 505' ' ' ASP . . . . . 0.761 ' HA ' ' HD2' ' D' ' 508' ' ' ARG . 2.4 t70 -68.91 -34.96 76.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.013 -0.539 . . . . 10.0 109.557 178.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 506' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' D' ' 502' ' ' GLU . 49.5 mtt180 -63.09 -47.08 84.41 Favored 'General case' 0 CA--C 1.52 -0.174 0 N-CA-C 107.28 -1.378 . . . . 10.0 107.28 176.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -59.21 -40.41 85.73 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 115.369 -0.832 . . . . 10.0 109.358 178.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 508' ' ' ARG . . . . . 0.761 ' HD2' ' HA ' ' D' ' 505' ' ' ASP . 94.6 mtt180 -57.66 -52.94 63.39 Favored 'General case' 0 C--O 1.22 -0.464 0 N-CA-C 108.852 -0.796 . . . . 10.0 108.852 177.644 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -61.14 -30.78 70.59 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.82 -0.627 . . . . 10.0 111.619 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 510' ' ' HIS . . . . . 0.561 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 9.8 m-70 -73.35 -56.75 4.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.457 179.15 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 51.8 t -62.83 -39.83 86.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.734 -179.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 512' ' ' ASP . . . . . 0.552 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 30.4 t70 -60.86 -41.49 96.01 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.089 -0.505 . . . . 10.0 109.74 179.162 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -64.49 -43.37 94.33 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 108.515 -0.92 . . . . 10.0 108.515 178.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 514' ' ' LEU . . . . . 0.597 ' HA ' ' HB2' ' D' ' 517' ' ' HIS . 91.6 mt -58.24 -32.56 68.45 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.968 -0.56 . . . . 10.0 111.239 179.113 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 515' ' ' ARG . . . . . 0.552 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 73.2 mtt180 -63.86 -25.56 68.22 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.993 0.425 . . . . 10.0 110.203 178.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.22 7.56 21.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.656 -0.702 . . . . 10.0 110.086 179.691 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 517' ' ' HIS . . . . . 0.597 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 0.5 OUTLIER -118.05 -67.05 1.02 Allowed 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.642 -179.79 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 75.3 mt -67.9 -54.44 18.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.661 -0.7 . . . . 10.0 111.797 -179.269 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 519' ' ' ALA . . . . . 0.689 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -49.55 -58.81 8.03 Favored Pre-proline 0 CA--C 1.535 0.388 0 N-CA-C 112.977 0.732 . . . . 10.0 112.977 -179.308 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 520' ' ' PRO . . . . . 0.689 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 36.0 Cg_exo -61.46 -30.41 86.71 Favored 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 121.751 1.634 . . . . 10.0 111.492 179.275 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -71.45 -42.62 67.95 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 120.764 -0.375 . . . . 10.0 110.662 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 1.3 p -64.87 -26.96 68.55 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.47 -0.567 . . . . 10.0 109.47 178.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 523' ' ' ASP . . . . . 0.587 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 12.6 t0 -71.12 -40.56 71.37 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 108.568 -0.901 . . . . 10.0 108.568 178.583 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -66.78 -40.4 88.17 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 108.291 -1.003 . . . . 10.0 108.291 177.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 525' ' ' LEU . . . . . 0.436 ' O ' ' HG ' ' D' ' 529' ' ' LEU . 67.1 mt -63.4 -30.94 71.99 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 114.94 -1.027 . . . . 10.0 110.669 179.347 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 526' ' ' ARG . . . . . 0.587 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 60.3 mtt180 -59.62 -40.88 89.04 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 109.675 -0.491 . . . . 10.0 109.675 178.788 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -68.82 -41.06 79.14 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.633 -0.712 . . . . 10.0 110.25 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 528' ' ' ARG . . . . . 0.632 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 82.6 mtt180 -67.7 -41.29 83.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.534 -0.757 . . . . 10.0 110.27 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 529' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' D' ' 525' ' ' LEU . 79.0 mt -63.44 -38.7 92.15 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.006 -0.543 . . . . 10.0 109.609 178.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -63.58 -37.63 88.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 10.0 109.985 178.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -71.72 -43.58 65.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.813 -0.63 . . . . 10.0 110.248 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 532' ' ' ARG . . . . . 0.517 ' O ' ' HG ' ' D' ' 536' ' ' LEU . 13.8 ttm180 -64.21 -46.55 83.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.769 -0.65 . . . . 10.0 109.856 179.221 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 533' ' ' LEU . . . . . 0.557 HD23 HD12 ' D' ' 536' ' ' LEU . 31.7 mt -63.17 -31.98 73.26 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.048 178.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -64.27 -41.98 96.67 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 109.231 -0.655 . . . . 10.0 109.231 178.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -66.73 -39.9 88.14 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 109.151 -0.685 . . . . 10.0 109.151 178.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 536' ' ' LEU . . . . . 0.557 HD12 HD23 ' D' ' 533' ' ' LEU . 84.1 mt -65.81 -32.0 73.29 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.877 -0.602 . . . . 10.0 110.284 179.102 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -79.43 -40.89 28.87 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.399 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -65.88 -58.55 5.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.969 -0.56 . . . . 10.0 110.606 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 48.5 m-20 -68.1 -35.56 78.36 Favored 'General case' 0 CA--C 1.511 -0.524 0 N-CA-C 109.571 -0.529 . . . . 10.0 109.571 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 540' ' ' GLY . . . . . 0.562 ' O ' ' HG ' ' D' ' 544' ' ' LEU . . . -63.57 -45.63 94.21 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.764 -0.731 . . . . 10.0 111.516 179.234 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -62.07 -42.23 99.72 Favored Glycine 0 C--N 1.334 0.455 0 N-CA-C 110.768 -0.933 . . . . 10.0 110.768 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -64.43 -42.69 95.87 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 108.925 -0.769 . . . . 10.0 108.925 178.359 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 543' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' D' ' 543' ' ' ARG . 55.5 mtt85 -63.87 -35.65 81.34 Favored 'General case' 0 C--O 1.217 -0.648 0 CA-C-N 115.616 -0.72 . . . . 10.0 110.648 179.181 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 544' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' D' ' 540' ' ' GLY . 84.3 mt -61.99 -39.23 91.47 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.97 -0.752 . . . . 10.0 108.97 178.508 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -69.8 -38.57 76.68 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.531 -0.914 . . . . 10.0 108.531 178.139 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -64.41 -44.03 92.5 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.686 -0.688 . . . . 10.0 109.73 178.351 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -59.39 -48.27 82.26 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 115.728 -0.669 . . . . 10.0 109.254 178.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 6.7 m170 -62.38 -43.62 98.4 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.843 179.449 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -63.76 -52.71 59.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.511 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -30.19 71.25 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.729 0.3 . . . . 10.0 110.558 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -66.89 -45.41 78.1 Favored 'General case' 0 CA--C 1.513 -0.469 0 N-CA-C 109.733 -0.469 . . . . 10.0 109.733 178.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -69.56 -39.77 77.19 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 109.911 -0.403 . . . . 10.0 109.911 179.399 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -61.12 -52.4 65.04 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.988 -0.551 . . . . 10.0 109.61 178.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 554' ' ' HIS . . . . . 0.48 ' O ' ' HG ' ' D' ' 558' ' ' LEU . 7.8 t-160 -62.75 -37.4 86.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.566 -0.743 . . . . 10.0 110.181 179.423 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 44.0 tp -57.48 -45.28 85.0 Favored 'General case' 0 C--O 1.237 0.418 0 N-CA-C 109.853 -0.425 . . . . 10.0 109.853 178.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 10.9 m -62.78 -38.62 91.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.828 -0.623 . . . . 10.0 109.868 178.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 3.0 m -70.89 -37.4 73.01 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.767 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 558' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' D' ' 554' ' ' HIS . 92.3 mt -64.53 -50.93 65.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.764 -0.653 . . . . 10.0 110.534 179.45 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 2.2 p -65.04 -32.45 74.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.912 0.387 . . . . 10.0 110.116 179.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -63.52 -21.79 66.53 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.525 -0.762 . . . . 10.0 109.673 178.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.98 -45.24 5.48 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.757 -0.656 . . . . 10.0 109.767 179.274 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -56.19 -43.53 78.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.185 -0.461 . . . . 10.0 112.185 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 563' ' ' LYS . . . . . 0.535 ' O ' ' HG2' ' D' ' 567' ' ' GLU . 85.1 mttt -56.18 -64.28 2.5 Favored Pre-proline 0 CA--C 1.533 0.307 0 N-CA-C 112.237 0.458 . . . . 10.0 112.237 -179.688 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -68.18 -37.09 15.06 Favored 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 122.36 2.04 . . . . 10.0 113.197 -179.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -60.21 -49.61 76.94 Favored 'General case' 0 C--O 1.222 -0.387 0 C-N-CA 121.243 -0.183 . . . . 10.0 110.967 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 19.2 mt -63.52 -38.07 89.74 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.882 -0.327 . . . . 10.0 110.916 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 567' ' ' GLU . . . . . 0.535 ' HG2' ' O ' ' D' ' 563' ' ' LYS . 81.6 mm-40 -62.91 -52.65 62.26 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 108.956 -0.757 . . . . 10.0 108.956 178.372 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.89 -44.65 94.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.597 -0.729 . . . . 10.0 110.814 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 35.2 mt -59.3 -47.05 86.84 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.134 -0.484 . . . . 10.0 110.539 179.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 74.0 mtt180 -65.63 -40.58 92.7 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.89 0.376 . . . . 10.0 110.54 179.271 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -66.4 -17.94 65.07 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.864 -0.607 . . . . 10.0 111.218 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -102.6 -35.81 3.7 Favored Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.757 -0.735 . . . . 10.0 111.774 179.17 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 573' ' ' LEU . . . . . 0.566 ' HA ' HG12 ' D' ' 576' ' ' VAL . 84.2 mt -71.43 -37.96 71.42 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 111.722 0.268 . . . . 10.0 111.722 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 574' ' ' LEU . . . . . 0.406 ' O ' ' HG2' ' D' ' 578' ' ' GLU . 20.5 mt -56.2 -59.43 11.9 Favored Pre-proline 0 CA--C 1.535 0.401 0 N-CA-C 112.038 0.385 . . . . 10.0 112.038 179.698 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.53 -34.79 32.22 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 121.94 1.76 . . . . 10.0 111.974 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 576' ' ' VAL . . . . . 0.566 HG12 ' HA ' ' D' ' 573' ' ' LEU . 0.3 OUTLIER -66.99 -35.28 74.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 120.918 -0.313 . . . . 10.0 110.409 179.62 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 577' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' D' ' 577' ' ' LEU . 22.7 mt -67.3 -41.34 85.55 Favored 'General case' 0 CA--C 1.516 -0.336 0 N-CA-C 109.471 -0.566 . . . . 10.0 109.471 178.624 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 578' ' ' GLU . . . . . 0.501 ' O ' HG23 ' D' ' 582' ' ' VAL . 18.6 mm-40 -61.26 -43.99 97.97 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.119 -0.697 . . . . 10.0 109.119 178.729 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 19.7 m -66.42 -38.32 87.18 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.416 -0.811 . . . . 10.0 109.822 178.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 4.7 m-30 -62.78 -41.52 99.29 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 116.005 -0.543 . . . . 10.0 109.898 178.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 581' ' ' LYS . . . . . 0.439 ' HD2' ' HA ' ' D' ' 578' ' ' GLU . 87.8 mttt -58.32 -39.93 80.72 Favored 'General case' 0 CA--C 1.519 -0.245 0 N-CA-C 109.719 -0.474 . . . . 10.0 109.719 178.686 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 582' ' ' VAL . . . . . 0.501 HG23 ' O ' ' D' ' 578' ' ' GLU . 58.1 t -61.89 -49.32 84.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.078 -0.51 . . . . 10.0 109.995 179.037 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 6.8 p -67.1 -23.87 65.88 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.576 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -80.61 -44.56 18.72 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 109.986 -0.376 . . . . 10.0 109.986 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 53.4 mt -59.74 -46.16 90.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.811 -0.631 . . . . 10.0 111.09 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 5.4 p -65.48 -34.46 78.33 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.199 0.523 . . . . 10.0 110.678 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 587' ' ' ALA . . . . . 0.418 ' HB2' ' HG2' ' A' ' 396' ' ' LYS . . . -70.21 -55.68 8.69 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.359 179.19 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 90.9 mt -56.49 -47.49 79.15 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.445 0.535 . . . . 10.0 112.445 -179.126 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 589' ' ' GLU . . . . . 0.402 ' HG2' ' HE3' ' D' ' 593' ' ' LYS . 12.4 tt0 -58.91 -47.89 83.38 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.404 -0.362 . . . . 10.0 111.425 -179.499 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -70.36 -39.49 74.61 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 111.944 0.349 . . . . 10.0 111.944 -179.206 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -60.61 -45.61 93.37 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.708 0.289 . . . . 10.0 111.138 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 592' ' ' THR . . . . . 0.4 ' OG1' ' H49' ' D' ' 630' ' ' 17F . 4.9 m -64.87 -24.93 67.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.239 -0.437 . . . . 10.0 111.213 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 593' ' ' LYS . . . . . 0.402 ' HE3' ' HG2' ' D' ' 589' ' ' GLU . 95.7 mttt -82.66 -35.63 26.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.837 0.351 . . . . 10.0 110.975 179.678 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 594' ' ' LYS . . . . . 0.433 ' HE2' ' HB2' ' A' ' 388' ' ' SER . 11.4 mptt -71.65 -37.43 70.81 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.066 0.46 . . . . 10.0 110.071 178.617 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 5.4 mt -100.11 27.23 5.73 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.423 -0.808 . . . . 10.0 110.525 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 . . . . . 0 C--N 1.324 -0.512 0 CA-C-N 116.438 -0.346 . . . . 10.0 111.277 -179.755 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 N--CA 1.454 -0.253 0 CA-C-O 120.71 0.29 . . . . 10.0 110.309 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.68 131.11 42.28 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.057 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -95.95 139.01 32.77 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.484 -0.325 . . . . 10.0 110.176 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' TYR . . . . . 0.423 ' HE2' ' HB3' ' B' ' 51' ' ' CYS . 99.6 m-85 -131.71 110.89 11.21 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.512 -0.313 . . . . 10.0 110.187 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.701 ' HA ' ' HB3' ' B' ' 54' ' ' ASP . 46.2 mttm -81.47 110.98 17.39 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.163 -0.471 . . . . 10.0 110.651 -179.619 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.515 ' HB3' HD23 ' B' ' 159' ' ' LEU . 11.1 mt -108.93 121.35 44.92 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.72 -0.673 . . . . 10.0 110.573 -178.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 48.0 t -107.36 121.66 60.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-O 120.764 0.316 . . . . 10.0 110.808 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.642 HG12 ' HD2' ' B' ' 16' ' ' LYS . 10.3 t -93.5 111.08 24.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.637 -0.505 . . . . 10.0 109.637 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 5.3 m -117.0 159.03 17.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.122 0.487 . . . . 10.0 111.842 -179.136 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 155.64 -163.45 31.68 Favored Glycine 0 N--CA 1.446 -0.649 0 CA-C-N 115.42 -0.809 . . . . 10.0 111.359 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -86.93 -170.49 3.09 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.709 0.29 . . . . 10.0 110.606 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.416 ' HB2' ' OH ' ' B' ' 32' ' ' TYR . 2.3 p-10 -98.43 137.08 37.64 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.487 -0.324 . . . . 10.0 111.171 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 86.06 9.66 76.6 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 121.082 -0.58 . . . . 10.0 113.058 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.431 HG23 ' HG3' ' B' ' 16' ' ' LYS . 18.8 m -81.7 -15.87 12.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.696 0.248 . . . . 10.0 111.243 -179.645 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 99.58 26.43 8.63 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.483 -0.865 . . . . 10.0 113.811 178.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.642 ' HD2' HG12 ' B' ' 8' ' ' VAL . 31.8 mtmt -63.84 -34.74 78.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.027 0.441 . . . . 10.0 110.033 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 2.1 m -78.87 -43.39 25.12 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.809 -0.632 . . . . 10.0 109.661 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.21 -44.55 79.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.086 -0.506 . . . . 10.0 110.898 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 73.8 mt -66.12 -49.31 67.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 10.0 111.476 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 16.2 m -63.96 -45.64 88.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.443 -0.344 . . . . 10.0 111.526 -179.384 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 95.2 mt -63.01 -34.2 65.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.677 0.275 . . . . 10.0 110.637 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' GLN . . . . . 0.63 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 2.0 mm-40 -69.77 -16.65 63.34 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.904 0.383 . . . . 10.0 111.348 179.636 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 9.8 tp -98.41 -37.4 9.62 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.997 0.427 . . . . 10.0 110.471 179.017 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 49.3 mm -79.74 -58.79 3.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.73 -0.668 . . . . 10.0 111.899 -179.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -93.79 -11.8 30.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.875 0.369 . . . . 10.0 111.093 -179.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' ASN . . . . . 0.63 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 64.7 m-80 62.66 29.4 16.86 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 113.802 1.038 . . . . 10.0 113.802 178.302 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -132.44 150.15 52.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.758 0.313 . . . . 10.0 110.805 179.033 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -93.98 129.58 40.4 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.878 -179.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 34.9 m -90.6 -171.27 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.625 -0.716 . . . . 10.0 109.605 178.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -149.87 -39.9 0.14 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.927 0.394 . . . . 10.0 110.918 179.114 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -79.88 146.53 32.12 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.1 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' TYR . . . . . 0.888 ' HD1' H5'2 ' B' ' 201' ' ' GSP . 73.6 t80 -85.81 113.05 21.66 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.134 -179.323 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 33' ' ' ASP . . . . . 0.436 ' O ' ' S1G' ' B' ' 201' ' ' GSP . 3.4 t70 -114.85 101.85 54.61 Favored Pre-proline 0 C--N 1.324 -0.507 0 N-CA-C 109.654 -0.499 . . . . 10.0 109.654 179.216 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -49.72 124.21 11.92 Favored 'Trans proline' 0 N--CA 1.473 0.273 0 C-N-CA 123.484 2.79 . . . . 10.0 113.103 -178.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.421 ' OG1' ' O3G' ' B' ' 201' ' ' GSP . 6.0 m -101.84 115.12 29.85 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.677 -0.692 . . . . 10.0 110.003 -179.733 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 51.5 mm -81.77 -51.78 14.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 108.771 -0.826 . . . . 10.0 108.771 178.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -167.09 88.41 0.31 Allowed 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.35 -0.841 . . . . 10.0 110.243 179.111 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' ASP . . . . . 0.42 ' HB2' ' CG2' ' B' ' 35' ' ' THR . 0.6 OUTLIER -106.18 123.82 48.63 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.885 -0.598 . . . . 10.0 110.664 -179.411 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.8 p -106.91 129.21 54.77 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.6 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -124.49 140.59 52.8 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.535 -0.302 . . . . 10.0 110.893 -178.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.43 ' HD2' ' OD1' ' B' ' 54' ' ' ASP . 0.8 OUTLIER -117.82 134.56 54.8 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.785 -179.566 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 42.9 tttp -145.29 142.38 29.41 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.468 -0.333 . . . . 10.0 111.257 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -107.45 122.41 46.57 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.252 -0.431 . . . . 10.0 110.096 179.262 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 2.3 m -133.27 165.74 31.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.36 -0.382 . . . . 10.0 111.177 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 2.7 t -113.14 63.34 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.303 0.573 . . . . 10.0 110.315 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 22.1 mt -75.37 137.62 22.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.032 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 63.67 3.74 1.63 Allowed 'General case' 0 N--CA 1.474 0.746 0 O-C-N 123.615 0.572 . . . . 10.0 112.35 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 98.92 2.9 57.09 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.696 -0.764 . . . . 10.0 112.351 -179.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -117.99 135.99 53.81 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.884 0.342 . . . . 10.0 110.588 179.515 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 2.1 m -68.92 119.96 14.06 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.455 -0.572 . . . . 10.0 109.455 179.235 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' CYS . . . . . 0.423 ' HB3' ' HE2' ' B' ' 4' ' ' TYR . 0.1 OUTLIER -127.89 146.91 50.47 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.321 -0.399 . . . . 10.0 111.291 -178.896 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 42.6 tp -105.26 114.91 29.38 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.145 -0.687 . . . . 10.0 109.145 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 46.5 mt -85.88 124.13 32.01 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.122 -0.49 . . . . 10.0 111.666 -179.017 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' ASP . . . . . 0.701 ' HB3' ' HA ' ' B' ' 5' ' ' LYS . 29.2 t70 -107.23 79.96 1.37 Allowed 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.222 -1.029 . . . . 10.0 108.222 178.496 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 6.3 mt -84.11 144.38 10.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.544 -0.753 . . . . 10.0 111.265 -177.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 23.3 tp -141.99 115.17 8.82 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.213 -0.449 . . . . 10.0 111.465 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -98.64 117.99 34.34 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 109.264 -0.643 . . . . 10.0 109.264 178.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' THR . . . . . 0.426 HG21 ' CE1' ' B' ' 71' ' ' TYR . 1.2 p -111.16 167.78 10.01 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.688 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.06 155.85 40.0 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.185 0.517 . . . . 10.0 111.585 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -138.4 40.07 1.51 Allowed Glycine 0 N--CA 1.447 -0.571 0 CA-C-N 115.992 -0.549 . . . . 10.0 111.897 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -104.96 21.4 17.12 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.632 0.253 . . . . 10.0 110.6 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 65.69 177.45 0.21 Allowed 'General case' 0 N--CA 1.462 0.175 0 N-CA-C 112.817 0.673 . . . . 10.0 112.817 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 69.88 27.42 4.51 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.948 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -120.55 31.63 6.36 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.107 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.48 -44.42 65.62 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.269 -0.878 . . . . 10.0 113.324 -178.644 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.58 -11.69 50.78 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 112.557 0.577 . . . . 10.0 112.557 -178.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 28.2 ttt -94.01 -41.8 9.37 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.55 -0.296 . . . . 10.0 111.648 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' ARG . . . . . 0.516 ' HA ' ' CE1' ' B' ' 71' ' ' TYR . 4.4 ttp180 -59.83 -46.6 88.74 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.377 -0.374 . . . . 10.0 111.737 -179.075 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -59.27 -23.08 62.08 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 112.487 0.551 . . . . 10.0 112.487 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -70.03 -64.89 0.8 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.312 0.486 . . . . 10.0 112.312 -178.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' TYR . . . . . 0.516 ' CE1' ' HA ' ' B' ' 68' ' ' ARG . 49.5 p90 -70.87 -17.17 62.73 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 112.455 0.539 . . . . 10.0 112.455 -178.671 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 72' ' ' MET . . . . . 0.433 ' HG2' ' CE1' ' B' ' 78' ' ' PHE . 10.6 mtt -69.55 -23.9 63.64 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.939 0.399 . . . . 10.0 111.058 179.36 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 73' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' B' ' 73' ' ' ARG . 44.3 ttm180 -75.03 -43.23 54.81 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.101 -0.499 . . . . 10.0 110.036 179.381 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.12 -31.26 58.55 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.838 -0.619 . . . . 10.0 111.011 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -55.89 125.41 37.05 Favored Glycine 0 C--N 1.331 0.302 0 CA-C-N 116.045 -0.525 . . . . 10.0 113.135 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -92.83 -42.37 9.57 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.916 0.389 . . . . 10.0 110.193 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -120.91 135.19 10.61 Favored Glycine 0 N--CA 1.445 -0.74 0 N-CA-C 110.909 -0.876 . . . . 10.0 110.909 179.043 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 78' ' ' PHE . . . . . 0.501 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 68.1 m-85 -112.53 120.47 41.71 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.4 0.619 . . . . 10.0 112.435 -179.081 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.552 HD12 ' HB ' ' B' ' 112' ' ' VAL . 10.8 tp -100.9 112.19 24.56 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.523 -0.762 . . . . 10.0 109.39 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 80' ' ' CYS . . . . . 0.634 ' HB3' HD12 ' B' ' 93' ' ' ILE . 11.9 m -92.47 100.43 12.98 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.983 -0.553 . . . . 10.0 109.986 -179.421 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 81' ' ' VAL . . . . . 0.463 HG22 ' HB ' ' B' ' 114' ' ' VAL . 77.2 t -102.31 125.44 56.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.853 0.359 . . . . 10.0 111.07 -179.54 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 82' ' ' PHE . . . . . 0.454 ' HE2' ' HG ' ' B' ' 113' ' ' LEU . 38.7 p90 -133.29 163.31 29.6 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.084 -0.507 . . . . 10.0 109.817 179.334 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.44 ' HB1' ' OD1' ' B' ' 85' ' ' ASN . . . -100.69 129.74 46.64 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 110.074 -0.343 . . . . 10.0 110.074 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 84' ' ' ILE . . . . . 0.599 ' CD1' ' HA ' ' B' ' 118' ' ' CYS . 28.7 pt -68.55 -9.97 12.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 112.152 0.427 . . . . 10.0 112.152 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 85' ' ' ASN . . . . . 0.44 ' OD1' ' HB1' ' B' ' 83' ' ' ALA . 20.6 p-10 -106.52 13.09 28.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.42 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -140.34 98.66 3.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.251 -0.432 . . . . 10.0 110.179 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.3 -30.72 69.66 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.809 0.67 . . . . 10.0 112.809 -178.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 22.2 tptp -62.31 -47.68 83.19 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.968 -0.293 . . . . 10.0 111.437 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 89' ' ' SER . . . . . 0.449 ' O ' HG12 ' B' ' 93' ' ' ILE . 89.7 p -61.0 -27.45 68.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.388 -0.369 . . . . 10.0 110.934 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -72.47 -40.19 67.14 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.264 179.282 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -75.27 -34.44 61.35 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.954 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.35 -30.53 64.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.917 -0.583 . . . . 10.0 111.812 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 93' ' ' ILE . . . . . 0.634 HD12 ' HB3' ' B' ' 80' ' ' CYS . 41.9 mm -60.66 -37.06 74.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.135 -0.484 . . . . 10.0 111.334 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 48.8 t60 -59.87 -49.0 79.41 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.054 0.454 . . . . 10.0 110.008 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -67.22 -35.19 79.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.7 -0.682 . . . . 10.0 110.398 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -62.35 -44.29 96.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.788 -0.642 . . . . 10.0 109.879 179.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 97' ' ' ARG . . . . . 0.499 ' HA ' HD12 ' B' ' 100' ' ' ILE . 20.9 ttt180 -62.68 -42.37 99.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.079 -0.51 . . . . 10.0 110.766 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -61.45 -36.76 81.29 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.714 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 99' ' ' GLN . . . . . 0.434 ' O ' HG23 ' B' ' 103' ' ' VAL . 57.6 tt0 -67.97 -40.06 83.23 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.564 -0.532 . . . . 10.0 109.564 178.806 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 100' ' ' ILE . . . . . 0.499 HD12 ' HA ' ' B' ' 97' ' ' ARG . 88.0 mt -59.98 -45.21 95.62 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-O 121.047 0.451 . . . . 10.0 110.155 179.055 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 19.5 mtmt -64.36 -22.95 67.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.309 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -84.64 -50.63 7.49 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.411 -0.359 . . . . 10.0 111.093 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 103' ' ' VAL . . . . . 0.434 HG23 ' O ' ' B' ' 99' ' ' GLN . 47.1 t -59.04 -57.28 12.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.0 -0.546 . . . . 10.0 111.941 -179.186 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -79.25 -11.66 59.95 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.41 -0.359 . . . . 10.0 111.511 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 17.3 t0 56.11 32.94 21.03 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.642 0.734 . . . . 10.0 110.545 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 12.0 m -133.16 143.57 49.32 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.582 -0.735 . . . . 10.0 111.023 -178.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -92.69 -30.34 15.61 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.189 0.519 . . . . 10.0 110.053 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -92.27 82.54 4.97 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.833 -0.621 . . . . 10.0 110.738 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 0.415 ' HA ' ' HD3' ' B' ' 110' ' ' PRO . 70.9 t -123.06 130.7 24.49 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 115.695 -0.684 . . . . 10.0 109.69 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 110' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 34.7 Cg_exo -62.61 109.42 0.88 Allowed 'Trans proline' 0 C--O 1.234 0.301 0 C-N-CA 123.094 2.529 . . . . 10.0 112.089 179.649 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 111' ' ' MET . . . . . 0.501 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 22.6 mtm -133.58 149.17 51.64 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.945 -0.57 . . . . 10.0 109.687 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 112' ' ' VAL . . . . . 0.552 ' HB ' HD12 ' B' ' 79' ' ' LEU . 60.5 t -133.32 142.44 41.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 109.697 -0.483 . . . . 10.0 109.697 179.042 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 113' ' ' LEU . . . . . 0.454 ' HG ' ' HE2' ' B' ' 82' ' ' PHE . 15.6 tp -99.31 118.88 36.95 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.96 0.409 . . . . 10.0 110.506 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 114' ' ' VAL . . . . . 0.463 ' HB ' HG22 ' B' ' 81' ' ' VAL . 85.7 t -114.75 113.12 42.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.222 -0.444 . . . . 10.0 111.391 -179.279 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -93.28 97.98 2.31 Favored Glycine 0 N--CA 1.45 -0.396 0 N-CA-C 110.481 -1.048 . . . . 10.0 110.481 178.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -89.19 174.39 7.88 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.827 0.346 . . . . 10.0 111.841 -178.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 117' ' ' LYS . . . . . 0.434 ' HE2' ' C8 ' ' B' ' 201' ' ' GSP . 16.1 mmtt 67.75 24.77 8.21 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.608 -0.724 . . . . 10.0 111.538 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 118' ' ' CYS . . . . . 0.599 ' HA ' ' CD1' ' B' ' 84' ' ' ILE . 53.7 m -68.87 -13.47 62.44 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.195 -0.457 . . . . 10.0 111.618 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.03 -25.04 55.29 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.449 179.096 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 120' ' ' LEU . . . . . 0.495 ' HA ' ' HD3' ' B' ' 121' ' ' PRO . 85.1 mt -79.77 132.84 59.92 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.868 -0.605 . . . . 10.0 110.891 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 121' ' ' PRO . . . . . 0.495 ' HD3' ' HA ' ' B' ' 120' ' ' LEU . 2.8 Cg_exo -77.66 169.27 21.15 Favored 'Trans proline' 0 N--CA 1.459 -0.511 0 C-N-CA 123.103 2.535 . . . . 10.0 111.403 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 16.3 m 62.14 54.45 2.69 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.495 0.664 . . . . 10.0 111.732 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 123' ' ' ARG . . . . . 0.456 ' HB3' HD12 ' B' ' 84' ' ' ILE . 1.4 ptp180 -73.41 148.16 43.57 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.444 -0.798 . . . . 10.0 110.666 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -97.53 -43.73 7.12 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.538 -0.541 . . . . 10.0 109.538 178.495 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 47.5 t -85.1 110.04 18.84 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-N 115.745 -0.661 . . . . 10.0 109.658 179.052 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 126' ' ' ASP . . . . . 0.574 ' OD1' ' HG2' ' B' ' 128' ' ' LYS . 6.3 t70 -77.74 153.2 33.16 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.76 -0.654 . . . . 10.0 110.37 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 127' ' ' THR . . . . . 0.42 HG23 ' HE2' ' B' ' 141' ' ' PHE . 1.8 m -60.36 -34.25 73.59 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.469 -0.332 . . . . 10.0 111.177 -179.614 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 128' ' ' LYS . . . . . 0.574 ' HG2' ' OD1' ' B' ' 126' ' ' ASP . 0.0 OUTLIER -59.59 -52.11 66.94 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 112.656 0.613 . . . . 10.0 112.656 -179.084 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -67.82 -34.6 77.06 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.041 0.386 . . . . 10.0 112.041 -178.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.54 -46.75 84.57 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.326 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 131' ' ' GLN . . . . . 0.438 ' HG3' ' HD2' ' B' ' 141' ' ' PHE . 78.7 mt-30 -73.93 -28.25 61.43 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.737 179.752 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -66.45 -42.11 88.12 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.088 -0.506 . . . . 10.0 110.628 179.278 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 34.4 tp -71.0 -44.34 66.12 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.208 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.2 -21.95 66.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.883 -0.599 . . . . 10.0 111.805 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 135' ' ' ARG . . . . . 0.473 ' HG3' ' HE2' ' C' ' 165' ' ' LYS . 37.5 ttm180 -61.62 -41.67 97.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.017 0.437 . . . . 10.0 111.283 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 19.4 m -77.82 -6.74 55.17 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.095 -0.502 . . . . 10.0 111.262 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 22.7 m-30 -100.26 -19.65 16.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.019 0.437 . . . . 10.0 110.268 179.263 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 77.9 16.43 79.94 Favored Glycine 0 N--CA 1.449 -0.492 0 N-CA-C 111.55 -0.62 . . . . 10.0 111.55 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 27.0 pt -106.16 149.44 38.16 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 120.674 0.273 . . . . 10.0 110.966 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -84.59 144.57 10.14 Favored 'Trans proline' 0 C--O 1.236 0.407 0 C-N-CA 122.858 2.372 . . . . 10.0 112.182 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 141' ' ' PHE . . . . . 0.438 ' HD2' ' HG3' ' B' ' 131' ' ' GLN . 49.7 t80 -121.28 122.22 39.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.782 -0.645 . . . . 10.0 110.416 178.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 5.1 mp -125.53 125.78 69.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.471 -0.332 . . . . 10.0 110.457 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -67.11 128.22 35.54 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.962 -0.384 . . . . 10.0 109.962 178.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.64 146.67 50.47 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.205 0.526 . . . . 10.0 112.327 -178.393 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 4.1 m -127.11 115.76 19.64 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.741 -0.837 . . . . 10.0 108.741 179.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -69.02 -26.21 64.88 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.867 0.692 . . . . 10.0 112.867 -178.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 147' ' ' LYS . . . . . 0.462 ' HB2' ' HE3' ' B' ' 147' ' ' LYS . 27.0 ttmt -68.25 -57.54 5.82 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.151 0.426 . . . . 10.0 112.151 -178.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 1.9 p -81.16 -16.66 52.26 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.744 0.276 . . . . 10.0 111.744 -178.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 65.83 10.88 7.22 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.656 -0.702 . . . . 10.0 112.107 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -70.18 113.84 7.75 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.494 -0.775 . . . . 10.0 111.125 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 91.16 -0.6 75.75 Favored Glycine 0 N--CA 1.447 -0.582 0 CA-C-N 115.76 -0.655 . . . . 10.0 112.803 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 91.3 t -72.44 -38.17 59.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.968 0.384 . . . . 10.0 111.434 -179.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.51 -51.32 67.88 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.165 -0.471 . . . . 10.0 111.309 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 154' ' ' ASP . . . . . 0.428 ' HA ' ' CD2' ' B' ' 157' ' ' TYR . 33.2 t70 -70.74 -23.39 62.42 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.893 -179.602 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -58.72 -47.53 84.25 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.834 0.349 . . . . 10.0 111.351 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -69.19 -29.49 67.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.21 0.528 . . . . 10.0 110.734 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 157' ' ' TYR . . . . . 0.428 ' CD2' ' HA ' ' B' ' 154' ' ' ASP . 16.4 m-30 -67.48 -29.0 68.33 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.821 -0.627 . . . . 10.0 111.061 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 158' ' ' THR . . . . . 0.519 ' O ' ' HG2' ' B' ' 162' ' ' GLU . 1.7 m -61.41 -47.03 87.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.982 -179.452 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 159' ' ' LEU . . . . . 0.515 HD23 ' HB3' ' B' ' 6' ' ' LEU . 14.1 tp -60.62 -40.72 92.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.934 0.397 . . . . 10.0 111.125 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 47.8 t -64.78 -39.23 84.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.029 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.64 -37.03 85.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.258 179.613 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 162' ' ' GLU . . . . . 0.519 ' HG2' ' O ' ' B' ' 158' ' ' THR . 62.9 mm-40 -62.58 -37.64 86.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.0 0.429 . . . . 10.0 110.082 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 57.9 mt -73.03 -37.7 53.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.055 -0.521 . . . . 10.0 109.96 179.386 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 57.7 mtt180 -68.02 -41.33 82.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.985 -0.552 . . . . 10.0 111.047 179.179 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -66.52 -22.97 66.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 10.0 111.17 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 24.1 t-80 -57.29 -34.37 68.62 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 115.683 -0.689 . . . . 10.0 110.228 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -62.87 -52.92 61.24 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.612 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -65.16 -37.0 85.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.77 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -64.2 -39.89 94.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.176 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 6.5 mmt -69.43 -23.15 63.65 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.985 -0.552 . . . . 10.0 111.398 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 10.0 m -71.13 -32.05 68.5 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.569 -0.53 . . . . 10.0 109.569 179.175 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 172' ' ' LYS . . . . . 0.517 ' O ' ' HG2' ' B' ' 175' ' ' LYS . 57.0 mtpt -85.91 -37.35 19.18 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 115.772 -0.649 . . . . 10.0 109.708 179.009 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 173' ' ' ASP . . . . . . . . . . . . . 31.0 t70 60.02 -97.13 0.07 Allowed 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.403 -0.817 . . . . 10.0 111.545 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . -149.18 16.5 1.16 Allowed Glycine 0 N--CA 1.445 -0.748 0 N-CA-C 110.915 -0.874 . . . . 10.0 110.915 179.343 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 175' ' ' LYS . . . . . 0.517 ' HG2' ' O ' ' B' ' 172' ' ' LYS . 13.1 ptpt -100.33 -161.56 0.88 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.563 -0.319 . . . . 10.0 111.014 -179.303 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 176' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp 64.91 23.43 12.61 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.321 0.581 . . . . 10.0 111.412 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 177' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -93.49 -146.51 0.24 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.443 -0.798 . . . . 10.0 109.394 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 178' ' ' LYS . . . . . 0.659 ' HG2' ' C6 ' ' B' ' 210' ' ' 17F . 0.3 OUTLIER 69.09 26.12 5.66 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.056 0.455 . . . . 10.0 111.145 179.92 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 179' ' ' LYS . . . . . 0.744 ' HA ' ' O5 ' ' B' ' 210' ' ' 17F . 0.7 OUTLIER -134.84 78.71 1.75 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.089 179.796 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 7.3 tptp -140.01 -31.58 0.65 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.672 -0.695 . . . . 10.0 111.408 -179.003 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 13.2 m -117.07 55.8 0.83 Allowed 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 121.41 0.624 . . . . 10.0 110.631 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 182' ' ' LYS . . . . . 0.452 ' HD3' ' HD2' ' B' ' 179' ' ' LYS . 14.5 pttp -86.2 -39.73 16.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.661 -0.7 . . . . 10.0 112.151 -179.578 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.42 144.63 44.22 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 121.259 -0.176 . . . . 10.0 110.725 -179.559 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 184' ' ' LYS . . . . . 0.767 ' N ' ' H61' ' A' ' 409' ' ' PCW . 0.0 OUTLIER . . . . . 0 N--CA 1.468 0.432 0 N-CA-C 111.904 0.335 . . . . 10.0 111.904 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 19.4 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.755 0.312 . . . . 10.0 110.58 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 3.4 m -111.96 134.94 53.21 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.249 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 49.4 tt0 -94.55 133.2 38.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.69 -0.232 . . . . 10.0 110.835 -179.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 4' ' ' TYR . . . . . 0.463 ' CD2' ' HB3' ' C' ' 51' ' ' CYS . 96.3 m-85 -128.22 115.56 18.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.316 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 5' ' ' LYS . . . . . 0.619 ' HA ' ' HB3' ' C' ' 54' ' ' ASP . 56.1 mttm -85.2 112.08 20.4 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.114 0.483 . . . . 10.0 110.814 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 11.8 mt -109.63 121.98 46.41 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.61 -0.723 . . . . 10.0 111.338 -178.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 7' ' ' VAL . . . . . 0.425 ' CG2' ' HA3' ' C' ' 75' ' ' GLY . 59.9 t -105.46 118.23 52.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.242 -0.435 . . . . 10.0 110.004 179.408 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 20.2 t -91.95 105.93 17.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 109.57 -0.53 . . . . 10.0 109.57 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 4.0 m -104.05 154.75 5.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.224 0.535 . . . . 10.0 111.464 -179.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.08 164.79 16.6 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 121.004 -0.617 . . . . 10.0 111.706 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.92 -167.03 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.248 0.547 . . . . 10.0 111.442 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -84.32 149.02 26.33 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.003 -0.544 . . . . 10.0 111.433 -179.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 13' ' ' GLY . . . . . 0.82 ' HA2' H5'1 ' C' ' 201' ' ' GSP . . . 57.18 29.4 59.78 Favored Glycine 0 CA--C 1.521 0.468 0 N-CA-C 114.772 0.669 . . . . 10.0 114.772 179.332 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 14' ' ' VAL . . . . . 0.493 HG23 ' HG3' ' C' ' 16' ' ' LYS . 20.6 m -88.79 -31.12 5.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 117.38 0.59 . . . . 10.0 111.795 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 15' ' ' GLY . . . . . 0.606 ' HA2' ' H8 ' ' C' ' 201' ' ' GSP . . . 115.51 18.84 5.98 Favored Glycine 0 CA--C 1.518 0.242 0 C-N-CA 120.781 -0.724 . . . . 10.0 113.433 179.539 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 16' ' ' LYS . . . . . 0.493 ' HG3' HG23 ' C' ' 14' ' ' VAL . 51.8 mtmt -60.84 -50.5 73.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.312 0.577 . . . . 10.0 110.629 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 17' ' ' SER . . . . . 0.562 ' HB2' ' O1A' ' C' ' 201' ' ' GSP . 33.7 m -66.91 -42.29 85.66 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.486 -0.779 . . . . 10.0 110.954 -179.446 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.25 -45.79 87.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.421 -0.354 . . . . 10.0 111.078 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 65.2 mt -65.27 -46.45 80.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.884 0.374 . . . . 10.0 110.983 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 27.8 m -63.33 -42.77 98.99 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.885 -0.598 . . . . 10.0 111.637 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 73.5 mt -63.48 -36.07 74.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 110.006 -0.368 . . . . 10.0 110.006 179.145 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 22' ' ' GLN . . . . . 0.72 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 1.2 mm-40 -65.47 -36.08 82.83 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.116 0.484 . . . . 10.0 110.209 178.677 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 24.0 tp -76.95 -35.6 57.15 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.329 -0.396 . . . . 10.0 111.627 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 50.8 mm -85.88 -61.1 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 112.904 0.705 . . . . 10.0 112.904 -178.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -88.68 -9.4 52.16 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 112.138 0.422 . . . . 10.0 112.138 -178.088 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 26' ' ' ASN . . . . . 0.72 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 6.4 m-20 67.97 32.63 5.0 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 114.629 1.344 . . . . 10.0 114.629 178.204 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -151.27 154.68 37.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.72 0.295 . . . . 10.0 111.114 178.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -102.27 130.33 48.94 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.2 -0.454 . . . . 10.0 110.723 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 4.8 m -104.84 125.71 59.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.86 -0.609 . . . . 10.0 109.597 178.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -79.9 -14.25 58.77 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.413 0.625 . . . . 10.0 110.864 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -77.79 136.01 38.06 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.505 -0.771 . . . . 10.0 110.097 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 32' ' ' TYR . . . . . 0.898 ' CD1' H5'2 ' C' ' 201' ' ' GSP . 5.8 t80 -79.79 119.59 22.89 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.946 0.403 . . . . 10.0 111.017 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -100.0 115.97 65.05 Favored Pre-proline 0 C--O 1.237 0.433 0 CA-C-N 115.73 -0.668 . . . . 10.0 110.492 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -78.09 70.1 7.24 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.946 2.43 . . . . 10.0 110.863 179.041 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 35' ' ' THR . . . . . 0.401 ' OG1' ' O3G' ' C' ' 201' ' ' GSP . 0.2 OUTLIER -69.3 134.31 48.95 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.501 -0.772 . . . . 10.0 111.715 -179.487 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 44.6 mm -107.62 -47.1 7.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 108.266 -1.013 . . . . 10.0 108.266 178.215 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 37' ' ' GLU . . . . . 0.632 ' HG2' HD11 ' C' ' 56' ' ' LEU . 1.2 tt0 -163.61 96.68 0.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.344 -0.844 . . . . 10.0 109.862 178.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -126.95 127.43 44.84 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.412 -0.358 . . . . 10.0 110.727 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 2.4 p -99.92 147.7 25.27 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.279 -0.419 . . . . 10.0 111.413 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -138.88 132.39 30.36 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.5 -0.556 . . . . 10.0 109.5 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -114.96 134.28 55.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.748 0.308 . . . . 10.0 111.038 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 42' ' ' LYS . . . . . 0.6 ' HB3' HD12 ' C' ' 53' ' ' LEU . 50.4 tttp -143.45 143.21 31.5 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.471 -0.566 . . . . 10.0 109.471 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -117.5 109.99 17.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.639 0.256 . . . . 10.0 110.518 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 2.8 m -130.59 164.61 33.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.336 0.588 . . . . 10.0 111.448 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 47.7 t -93.48 94.88 4.89 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 115.669 -0.696 . . . . 10.0 109.877 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 46' ' ' ILE . . . . . 0.576 HG13 HG11 ' C' ' 160' ' ' VAL . 29.5 mm -77.09 100.79 2.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 108.076 -1.083 . . . . 10.0 108.076 178.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 47' ' ' ASP . . . . . 0.558 ' HA ' ' HB2' ' B' ' 128' ' ' LYS . 4.9 m-20 69.01 -97.4 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.555 -0.748 . . . . 10.0 109.857 -178.586 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . -124.67 12.48 7.82 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.75 -0.738 . . . . 10.0 111.869 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -125.74 132.82 52.27 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.829 0.347 . . . . 10.0 111.125 -179.242 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -78.54 121.95 25.27 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.751 -0.833 . . . . 10.0 108.751 177.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 51' ' ' CYS . . . . . 0.463 ' HB3' ' CD2' ' C' ' 4' ' ' TYR . 4.0 m -125.44 141.68 51.92 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 112.531 0.567 . . . . 10.0 112.531 -178.147 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 53.7 tp -97.54 117.56 32.07 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.369 -0.974 . . . . 10.0 108.369 177.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 53' ' ' LEU . . . . . 0.6 HD12 ' HB3' ' C' ' 42' ' ' LYS . 10.1 mt -88.88 121.09 30.89 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.462 0.648 . . . . 10.0 112.193 -178.357 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 54' ' ' ASP . . . . . 0.619 ' HB3' ' HA ' ' C' ' 5' ' ' LYS . 26.3 t0 -103.89 81.97 1.93 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.479 -1.304 . . . . 10.0 107.479 177.629 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 6.4 mt -89.03 148.15 4.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.495 -0.775 . . . . 10.0 111.883 -177.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 56' ' ' LEU . . . . . 0.632 HD11 ' HG2' ' C' ' 37' ' ' GLU . 16.6 tp -148.39 125.48 11.4 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.73 -0.668 . . . . 10.0 110.0 179.7 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -84.26 138.82 32.74 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 109.841 -0.429 . . . . 10.0 109.841 178.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 25.0 p -99.42 165.97 11.4 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.246 -0.434 . . . . 10.0 111.211 -178.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -88.4 119.74 29.12 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.015 -0.539 . . . . 10.0 109.716 178.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -92.21 11.9 70.97 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.913 -0.66 . . . . 10.0 112.728 -179.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -85.32 2.87 42.29 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.991 0.367 . . . . 10.0 111.991 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 62' ' ' GLU . . . . . 0.459 ' HG3' ' H ' ' C' ' 63' ' ' GLU . 3.5 tp10 62.66 -158.54 0.32 Allowed 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 109.781 -0.451 . . . . 10.0 109.781 -179.537 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 63' ' ' GLU . . . . . 0.459 ' H ' ' HG3' ' C' ' 62' ' ' GLU . 14.0 tt0 71.5 -42.58 0.54 Allowed 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 113.171 0.804 . . . . 10.0 113.171 179.414 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 64' ' ' TYR . . . . . 0.872 ' HB3' ' HB3' ' C' ' 67' ' ' MET . 70.5 m-85 -77.33 61.24 2.14 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.096 0.406 . . . . 10.0 112.096 -179.165 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.42 -37.61 77.52 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-O 120.836 0.35 . . . . 10.0 110.331 179.292 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.84 -39.23 51.92 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.494 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 67' ' ' MET . . . . . 0.872 ' HB3' ' HB3' ' C' ' 64' ' ' TYR . 8.9 ttt -62.95 -37.37 86.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.832 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 68' ' ' ARG . . . . . 0.586 ' HA ' ' CZ ' ' C' ' 71' ' ' TYR . 17.6 ttp180 -64.21 -37.58 87.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.035 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.52 -33.45 71.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.884 -0.598 . . . . 10.0 111.303 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -60.7 -62.29 1.97 Allowed 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.818 0.673 . . . . 10.0 112.818 -179.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 71' ' ' TYR . . . . . 0.586 ' CZ ' ' HA ' ' C' ' 68' ' ' ARG . 5.6 p90 -73.73 -16.18 61.19 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 112.95 0.722 . . . . 10.0 112.95 -179.015 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 72' ' ' MET . . . . . 0.575 ' HA ' ' HZ ' ' C' ' 78' ' ' PHE . 18.3 mtt -67.07 -32.38 73.51 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-O 121.131 0.491 . . . . 10.0 110.567 179.282 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 33.7 ttm105 -78.22 -32.46 49.87 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.297 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.97 -50.22 17.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.0 -0.545 . . . . 10.0 111.69 -179.512 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 75' ' ' GLY . . . . . 0.425 ' HA3' ' CG2' ' C' ' 7' ' ' VAL . . . -61.74 140.07 47.0 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 121.131 -0.557 . . . . 10.0 113.774 -178.759 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -95.89 -51.27 4.54 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.171 0.51 . . . . 10.0 110.082 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -106.02 132.55 11.18 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.466 -0.788 . . . . 10.0 111.627 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 78' ' ' PHE . . . . . 0.736 ' HB2' ' HG2' ' C' ' 111' ' ' MET . 54.9 m-85 -109.34 129.6 55.52 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.207 0.527 . . . . 10.0 111.625 -179.229 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 79' ' ' LEU . . . . . 0.42 HD13 HD22 ' C' ' 159' ' ' LEU . 12.4 tp -109.29 107.4 17.61 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.69 -0.686 . . . . 10.0 109.661 179.626 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 80' ' ' CYS . . . . . 0.517 ' HB3' HD12 ' C' ' 93' ' ' ILE . 47.7 m -87.15 96.4 10.3 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.379 0.609 . . . . 10.0 111.423 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 92.2 t -95.97 122.06 47.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.501 -0.772 . . . . 10.0 110.134 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 82' ' ' PHE . . . . . 0.598 ' HB3' HD11 ' C' ' 93' ' ' ILE . 29.2 p90 -132.9 151.97 51.96 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.406 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -90.27 123.99 34.51 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.109 -0.7 . . . . 10.0 109.109 179.063 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 84' ' ' ILE . . . . . 0.866 HD12 ' HD3' ' C' ' 123' ' ' ARG . 27.6 pt -67.9 -11.87 14.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 112.765 0.654 . . . . 10.0 112.765 -179.064 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 20.6 p-10 -95.63 12.77 28.53 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.287 0.565 . . . . 10.0 110.344 178.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 86' ' ' ASN . . . . . 0.42 ' OD1' ' HB3' ' C' ' 88' ' ' LYS . 24.6 t-20 -140.53 105.03 4.88 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.64 -0.709 . . . . 10.0 110.374 179.747 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 87' ' ' THR . . . . . 0.411 ' O ' ' HG3' ' C' ' 91' ' ' GLU . 0.4 OUTLIER -61.04 -34.88 75.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.984 -179.6 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 88' ' ' LYS . . . . . 0.42 ' HB3' ' OD1' ' C' ' 86' ' ' ASN . 25.8 tptp -55.83 -43.76 77.28 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.355 -0.384 . . . . 10.0 111.09 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 18.8 m -65.0 -32.56 74.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.055 -0.521 . . . . 10.0 110.987 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -73.11 -34.26 66.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.888 0.375 . . . . 10.0 111.236 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 91' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' C' ' 87' ' ' THR . 33.6 mt-10 -77.01 -32.53 57.22 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.081 0.467 . . . . 10.0 110.548 179.703 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.36 -28.2 69.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.515 -0.766 . . . . 10.0 111.506 179.385 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 93' ' ' ILE . . . . . 0.598 HD11 ' HB3' ' C' ' 82' ' ' PHE . 51.2 mm -52.1 -41.78 33.5 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-N 115.876 -0.602 . . . . 10.0 111.499 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 94' ' ' HIS . . . . . 0.55 ' HA ' ' OH ' ' C' ' 137' ' ' TYR . 62.7 t60 -60.56 -54.37 46.26 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.959 -0.564 . . . . 10.0 111.135 -179.772 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 62.3 m-70 -62.42 -38.71 90.77 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.918 -179.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 96' ' ' TYR . . . . . 0.405 ' O ' HG13 ' C' ' 100' ' ' ILE . 4.6 m-85 -61.77 -44.99 95.8 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.819 179.416 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 97' ' ' ARG . . . . . 0.411 ' HA ' HD12 ' C' ' 100' ' ' ILE . 1.5 tmt_? -66.02 -41.16 91.32 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.998 -0.546 . . . . 10.0 111.332 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -61.94 -42.51 99.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.117 -0.492 . . . . 10.0 111.59 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 99' ' ' GLN . . . . . 0.483 ' O ' HG23 ' C' ' 103' ' ' VAL . 28.1 tt0 -64.27 -43.6 94.33 Favored 'General case' 0 C--O 1.226 -0.177 0 C-N-CA 120.768 -0.373 . . . . 10.0 110.593 179.466 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 100' ' ' ILE . . . . . 0.411 HD12 ' HA ' ' C' ' 97' ' ' ARG . 92.9 mt -54.38 -48.53 68.42 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-O 121.271 0.558 . . . . 10.0 110.141 179.259 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 35.0 mtmt -63.36 -38.64 91.94 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.402 -0.817 . . . . 10.0 111.398 -179.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -70.31 -46.13 64.88 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.17 -0.468 . . . . 10.0 111.361 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 103' ' ' VAL . . . . . 0.483 HG23 ' O ' ' C' ' 99' ' ' GLN . 87.3 t -62.13 -52.6 58.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.332 -0.394 . . . . 10.0 111.723 -179.219 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -80.16 -6.68 58.19 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.618 -0.264 . . . . 10.0 111.65 -179.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 5.6 t70 53.05 51.53 15.59 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.461 0.648 . . . . 10.0 110.841 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 4.8 m -145.03 158.91 43.67 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.619 -0.719 . . . . 10.0 110.102 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 26.8 tp10 -107.81 -28.42 9.67 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.378 0.609 . . . . 10.0 110.356 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.81 91.34 3.95 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.436 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 55.1 t -118.24 128.92 25.69 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.001 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -59.18 105.43 0.24 Allowed 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.753 2.302 . . . . 10.0 111.713 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 111' ' ' MET . . . . . 0.736 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 58.4 mtm -134.55 157.01 47.65 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.802 -179.288 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 45.1 t -142.36 132.01 22.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.543 -0.539 . . . . 10.0 109.543 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 22.5 tp -91.29 121.9 33.44 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.949 -0.389 . . . . 10.0 109.949 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 83.9 t -118.57 117.28 54.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.17 -0.468 . . . . 10.0 111.552 -178.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -91.83 112.3 4.16 Favored Glycine 0 N--CA 1.446 -0.685 0 N-CA-C 110.358 -1.097 . . . . 10.0 110.358 178.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 116' ' ' ASN . . . . . 0.458 ' ND2' ' HA3' ' C' ' 15' ' ' GLY . 63.2 t30 -96.13 164.39 12.7 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.674 0.237 . . . . 10.0 111.214 -178.777 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 95.2 mttt 65.27 33.11 9.43 Favored 'General case' 0 C--O 1.234 0.239 0 O-C-N 123.793 0.683 . . . . 10.0 111.648 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 118' ' ' CYS . . . . . 0.838 ' HA ' HD11 ' C' ' 84' ' ' ILE . 90.3 m -73.39 -8.09 54.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.2 -0.455 . . . . 10.0 112.126 -179.424 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -95.47 -5.56 42.68 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.795 0.331 . . . . 10.0 110.109 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 120' ' ' LEU . . . . . 0.541 HD11 ' N2 ' ' C' ' 201' ' ' GSP . 17.7 mt -87.01 127.77 58.27 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 10.0 110.746 179.456 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -67.31 158.33 57.51 Favored 'Trans proline' 0 C--O 1.237 0.431 0 C-N-CA 122.709 2.273 . . . . 10.0 112.253 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 50.4 m 63.55 59.62 1.19 Allowed 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.751 -0.659 . . . . 10.0 111.589 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 123' ' ' ARG . . . . . 0.866 ' HD3' HD12 ' C' ' 84' ' ' ILE . 12.5 ptt180 -85.48 128.16 34.65 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 116.143 -0.481 . . . . 10.0 110.174 179.549 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.85 -45.85 63.73 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.613 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 57.5 t -84.77 123.82 39.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.275 -0.42 . . . . 10.0 110.232 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 126' ' ' ASP . . . . . 0.409 ' OD1' ' HG3' ' C' ' 128' ' ' LYS . 11.6 t70 -92.67 151.69 19.95 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.19 -0.459 . . . . 10.0 109.947 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 1.6 m -56.2 -36.42 68.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.375 -0.375 . . . . 10.0 111.709 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 128' ' ' LYS . . . . . 0.409 ' HG3' ' OD1' ' C' ' 126' ' ' ASP . 33.4 mttp -54.91 -51.82 64.83 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.308 -0.406 . . . . 10.0 112.025 -179.268 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -72.4 -31.19 65.32 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.008 0.432 . . . . 10.0 111.431 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.49 -42.31 92.31 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.038 0.447 . . . . 10.0 109.944 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -73.47 -27.81 61.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.02 179.006 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -64.0 -47.65 79.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.216 178.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 27.0 tp -64.53 -38.94 92.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.697 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.76 -34.8 79.18 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.428 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 135' ' ' ARG . . . . . 0.45 HH11 ' HD2' ' C' ' 135' ' ' ARG . 30.7 ttm180 -60.95 -46.06 92.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.681 -0.69 . . . . 10.0 110.874 179.477 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 69.3 m -64.6 -37.39 87.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.038 0.447 . . . . 10.0 111.641 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 137' ' ' TYR . . . . . 0.55 ' OH ' ' HA ' ' C' ' 94' ' ' HIS . 9.4 m-30 -79.27 -21.1 46.57 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 116.358 -0.383 . . . . 10.0 111.753 -178.603 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 75.11 30.92 58.3 Favored Glycine 0 N--CA 1.452 -0.29 0 N-CA-C 111.073 -0.811 . . . . 10.0 111.073 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 43.7 pt -120.73 154.86 57.49 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 115.396 -0.402 . . . . 10.0 110.457 -179.076 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -78.02 143.67 20.66 Favored 'Trans proline' 0 N--CA 1.462 -0.358 0 C-N-CA 122.921 2.414 . . . . 10.0 112.156 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -122.16 134.05 54.73 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.605 -0.517 . . . . 10.0 109.605 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 142' ' ' ILE . . . . . 0.652 HD12 ' HA ' ' C' ' 155' ' ' ALA . 79.0 mt -135.73 133.61 51.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.802 0.334 . . . . 10.0 110.729 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -85.4 125.88 33.34 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 108.782 -0.822 . . . . 10.0 108.782 178.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 76.4 p -133.83 177.61 7.59 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.205 0.526 . . . . 10.0 112.037 -178.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 6.2 t -152.74 130.27 11.46 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.815 -0.809 . . . . 10.0 108.815 179.135 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -71.26 -21.43 62.1 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.152 0.501 . . . . 10.0 110.619 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 18.5 ttmt -81.01 -58.43 3.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.701 -0.681 . . . . 10.0 111.648 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -73.81 -22.68 59.71 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 113.314 0.857 . . . . 10.0 113.314 -177.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 149' ' ' ARG . . . . . 0.438 ' HG3' ' O ' ' C' ' 149' ' ' ARG . 15.4 tpt180 68.49 17.37 9.09 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 122.128 0.966 . . . . 10.0 109.703 -179.409 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -80.14 125.47 29.86 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.149 -0.932 . . . . 10.0 111.512 -179.296 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 71.67 -2.57 22.72 Favored Glycine 0 C--N 1.333 0.403 0 CA-C-N 116.011 -0.54 . . . . 10.0 114.372 178.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 72.8 t -63.62 -48.44 86.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 111.977 0.362 . . . . 10.0 111.977 -178.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.35 -38.93 91.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.785 0.326 . . . . 10.0 110.442 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -64.27 -41.36 96.95 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 155' ' ' ALA . . . . . 0.652 ' HA ' HD12 ' C' ' 142' ' ' ILE . . . -62.88 -45.46 92.44 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.668 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -64.17 -44.15 92.95 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.807 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -62.44 -39.99 95.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.531 179.368 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 84.1 m -59.04 -42.78 91.08 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.96 -0.563 . . . . 10.0 111.992 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 159' ' ' LEU . . . . . 0.42 HD22 HD13 ' C' ' 79' ' ' LEU . 45.5 tp -61.52 -43.67 98.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.959 0.409 . . . . 10.0 110.538 179.688 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 160' ' ' VAL . . . . . 0.576 HG11 HG13 ' C' ' 46' ' ' ILE . 46.5 t -65.28 -38.71 83.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.889 -0.596 . . . . 10.0 109.837 179.401 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -63.47 -38.09 89.81 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.701 -0.682 . . . . 10.0 110.995 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -61.87 -42.65 99.31 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.472 -0.331 . . . . 10.0 110.753 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 41.8 mt -64.42 -45.0 97.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-N 116.31 -0.405 . . . . 10.0 110.349 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 27.3 ttm180 -65.16 -38.13 89.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.996 0.427 . . . . 10.0 110.033 179.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 165' ' ' LYS . . . . . 0.473 ' HE2' ' HG3' ' B' ' 135' ' ' ARG . 36.9 ttmt -64.79 -43.48 93.07 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.644 -0.707 . . . . 10.0 109.545 179.348 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -56.83 -45.24 82.46 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.901 -0.59 . . . . 10.0 110.591 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -58.41 -47.72 83.0 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.211 -0.449 . . . . 10.0 110.638 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -62.48 -49.29 75.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.475 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 50.6 mtpt -60.21 -39.04 85.19 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.079 -0.51 . . . . 10.0 111.027 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 4.8 mmm -69.15 -29.55 67.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.994 -0.548 . . . . 10.0 111.318 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 31.2 m -69.83 -16.6 63.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.968 0.413 . . . . 10.0 111.011 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 18.4 mttm -101.37 -4.01 27.73 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.579 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 173' ' ' ASP . . . . . . . . . . . . . 16.9 t70 70.93 -66.82 0.28 Allowed 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.39 -0.823 . . . . 10.0 112.162 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . 157.33 -157.35 28.03 Favored Glycine 0 N--CA 1.443 -0.865 0 N-CA-C 111.141 -0.784 . . . . 10.0 111.141 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 175' ' ' LYS . . . . . . . . . . . . . 39.1 mttp -96.95 122.82 40.36 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.876 -0.416 . . . . 10.0 109.876 179.331 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 176' ' ' LYS . . . . . . . . . . . . . 37.0 tttp -99.11 7.63 45.68 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.176 0.512 . . . . 10.0 110.871 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 177' ' ' LYS . . . . . 0.631 ' HG2' ' H12' ' C' ' 212' ' ' PCW . 54.0 mtpt -77.4 -88.82 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.093 -0.503 . . . . 10.0 112.349 -179.572 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 178' ' ' LYS . . . . . . . . . . . . . 15.1 mtmt 60.29 30.83 20.16 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.563 0.696 . . . . 10.0 110.752 -179.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 179' ' ' LYS . . . . . . . . . . . . . 46.9 tttp -93.02 74.76 4.75 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.308 -0.86 . . . . 10.0 111.121 -179.215 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 180' ' ' LYS . . . . . . . . . . . . . 55.7 tttt -137.2 90.04 2.49 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.852 -0.796 . . . . 10.0 108.852 178.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 14.8 m -133.02 113.64 13.04 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.237 -179.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 182' ' ' LYS . . . . . 0.595 ' HA ' H341 ' C' ' 211' ' ' PCW . 34.0 mtmt -135.4 175.26 9.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.793 -0.64 . . . . 10.0 109.884 179.576 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 183' ' ' THR . . . . . 0.519 ' CG2' ' H37' ' A' ' 415' ' ' 17F . 11.4 t -146.54 30.19 1.01 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.799 0.809 . . . . 10.0 109.191 179.611 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 184' ' ' LYS . . . . . 0.406 ' HB2' ' HE3' ' C' ' 184' ' ' LYS . 36.9 ttmt . . . . . 0 C--O 1.237 0.408 0 CA-C-N 115.012 -0.995 . . . . 10.0 109.746 -178.392 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 401' ' ' PCW . . . . . 0.996 H451 H262 ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 402' ' ' PCW . . . . . 0.94 H162 H211 ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 403' ' ' PCW . . . . . 1.182 ' C31' H362 ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 404' ' ' PCW . . . . . 1.065 H352 ' H62' ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 405' ' ' PCW . . . . . 0.87 H361 ' C44' ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 406' ' ' PCW . . . . . 1.046 ' H39' H161 ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 407' ' ' PCW . . . . . 1.177 H212 ' C17' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 408' ' ' PCW . . . . . 0.927 H171 H232 ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 409' ' ' PCW . . . . . 1.14 ' C19' H142 ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 410' ' ' PCW . . . . . 1.041 H331 H122 ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 411' ' ' PCW . . . . . 0.927 H232 H171 ' A' ' 408' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 412' ' ' PCW . . . . . 0.814 H371 ' H39' ' A' ' 410' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 413' ' ' PCW . . . . . 0.839 ' C26' H181 ' A' ' 408' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 414' ' ' PCW . . . . . 1.053 H131 ' H33' ' A' ' 415' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 415' ' ' 17F . . . . . 1.053 ' H33' H131 ' A' ' 414' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 416' ' ' 17F . . . . . 0.938 ' H65' ' C27' ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 417' ' ' PCW . . . . . 1.011 H141 H341 ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 418' ' ' PCW . . . . . 1.071 H422 H212 ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 419' ' ' PCW . . . . . 0.985 ' C40' H441 ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 420' ' ' PCW . . . . . 1.057 H372 ' C43' ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 421' ' ' PCW . . . . . 1.039 H162 ' H57' ' D' ' 630' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 422' ' ' 17F . . . . . 1.034 ' H4A' H132 ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 601' ' ' PCW . . . . . 0.955 H421 ' C46' ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 602' ' ' PCW . . . . . 1.015 H362 ' H61' ' C' ' 214' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 603' ' ' PCW . . . . . 1.147 H222 H351 ' D' ' 611' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 604' ' ' PCW . . . . . 1.097 H451 H181 ' D' ' 606' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 605' ' ' PCW . . . . . 0.803 H172 H132 ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 606' ' ' PCW . . . . . 1.097 H181 H451 ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 607' ' ' PCW . . . . . 0.95 H451 H471 ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 608' ' ' PCW . . . . . 1.106 H181 ' H11' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 609' ' ' PCW . . . . . 1.06 H483 H472 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 610' ' ' PCW . . . . . 0.949 ' H42' ' O8 ' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 611' ' ' PCW . . . . . 1.147 H351 H222 ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 612' ' ' PCW . . . . . 1.06 ' C32' H352 ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 613' ' ' PCW . . . . . 1.071 H212 H422 ' A' ' 418' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 614' ' ' PCW . . . . . 1.017 H251 ' H47' ' B' ' 209' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 615' ' ' PCW . . . . . 0.996 H262 H451 ' A' ' 401' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 616' ' ' PCW . . . . . 0.958 H282 ' H46' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 617' ' ' PCW . . . . . 1.077 H341 H341 ' C' ' 216' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 618' ' ' PCW . . . . . 1.057 ' C43' H372 ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 619' ' ' PCW . . . . . 1.099 H422 H261 ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 620' ' ' PCW . . . . . 0.941 H411 H483 ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 621' ' ' PCW . . . . . 0.844 H283 ' H35' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 622' ' ' PCW . . . . . 1.034 H132 ' H4A' ' A' ' 422' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 623' ' ' PCW . . . . . 1.104 H322 ' C36' ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 624' ' ' PCW . . . . . 1.084 ' H19' H271 ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 625' ' ' PCW . . . . . 1.095 H451 H482 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 626' ' ' PCW . . . . . 1.095 H482 H451 ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 627' ' ' PCW . . . . . 1.099 H261 H422 ' D' ' 619' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 628' ' ' 17F . . . . . 0.996 ' H57' H19A ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 629' ' ' 17F . . . . . 1.106 ' H11' H181 ' D' ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 630' ' ' 17F . . . . . 1.039 ' H57' H162 ' A' ' 421' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 631' ' ' 17F . . . . . 0.949 ' O8 ' ' H42' ' D' ' 610' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 632' ' ' 17F . . . . . 1.109 ' H53' H161 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 201' ' ' GSP . . . . . 0.888 H5'2 ' HD1' ' B' ' 32' ' ' TYR . . . . . . . . 0 O4'--C1' 1.439 2.061 2 O4'-C1'-N19 113.038 4.838 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 202' ' ' ' MG' . . . . . 0.634 'MG ' ' O3G' ' B' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 203' ' ' PCW . . . . . 0.942 H211 H18A ' B' ' 209' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 204' ' ' PCW . . . . . 1.042 H431 H10A ' B' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 205' ' ' PCW . . . . . 1.061 ' H31' ' P ' ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 206' ' ' PCW . . . . . 0.962 ' H31' ' H42' ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 207' ' ' PCW . . . . . 0.999 ' H41' ' H31' ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 208' ' ' PCW . . . . . 1.084 H271 ' H19' ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 209' ' ' 17F . . . . . 1.017 ' H47' H251 ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 210' ' ' 17F . . . . . 1.042 H10A H431 ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 211' ' ' 17F . . . . . 1.017 ' H62' ' H12' ' B' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 201' ' ' GSP . . . . . 0.898 H5'2 ' CD1' ' C' ' 32' ' ' TYR . . . . . . . . 0 O4'--C1' 1.436 1.859 2 O4'-C1'-N19 113.012 4.812 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 202' ' ' ' MG' . . . . . 0.639 'MG ' ' O3G' ' C' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 203' ' ' PCW . . . . . 1.055 H132 H171 ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 204' ' ' PCW . . . . . 1.055 H132 ' H20' ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 205' ' ' PCW . . . . . 1.086 H432 ' H6 ' ' C' ' 215' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 206' ' ' PCW . . . . . 1.074 ' C20' ' H19' ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 207' ' ' PCW . . . . . 1.045 ' O1P' ' H31' ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 208' ' ' PCW . . . . . 1.109 H161 ' H53' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 209' ' ' PCW . . . . . 1.091 H162 ' H8 ' ' C' ' 214' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 210' ' ' PCW . . . . . 1.127 ' O31' H352 ' C' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 211' ' ' PCW . . . . . 1.085 ' H51' ' H12' ' C' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 212' ' ' PCW . . . . . 1.023 H122 ' H20' ' C' ' 215' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 213' ' ' 17F . . . . . 1.024 H20A H151 ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 214' ' ' 17F . . . . . 1.091 ' H8 ' H162 ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 215' ' ' 17F . . . . . 1.086 ' H6 ' H432 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 216' ' ' PCW . . . . . 1.077 H341 H341 ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 217' ' ' PCW . . . . . 0.878 H441 H272 ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 218' ' ' 17F . . . . . 1.107 ' H47' ' H39' ' C' ' 219' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 219' ' ' 17F . . . . . 1.107 ' H39' ' H47' ' C' ' 218' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 201' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 201' ' ' LEU . 12.4 mt . . . . . 0 C--O 1.232 0.166 0 CA-C-O 121.049 0.452 . . . . 10.0 110.548 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.81 -40.38 79.82 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.674 -0.694 . . . . 10.0 111.613 -179.191 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 47.3 mt -100.28 16.42 24.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.332 -0.395 . . . . 10.0 111.858 -178.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 67.1 mt -127.03 -53.84 1.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.889 0.376 . . . . 10.0 111.395 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -65.46 -47.54 75.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.832 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -73.76 -24.26 59.84 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.48 179.546 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 54.0 t90 -70.85 -28.19 64.39 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-N 115.604 -0.726 . . . . 10.0 109.511 179.065 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -61.05 -41.89 97.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.393 -0.821 . . . . 10.0 110.124 179.105 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 3.3 m -61.49 -36.99 82.04 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.222 -0.444 . . . . 10.0 110.771 179.32 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 24.5 t -64.08 -43.01 97.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 108.579 -0.897 . . . . 10.0 108.579 178.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 18.9 m -64.39 -40.25 95.45 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.223 -0.898 . . . . 10.0 110.138 179.373 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 5.2 m -63.05 -39.8 95.82 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.547 -0.538 . . . . 10.0 109.547 178.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 36.5 m -66.15 -47.55 73.66 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.815 -0.63 . . . . 10.0 110.228 179.069 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 214' ' ' PHE . . . . . 0.599 ' HE1' H162 ' A' ' 405' ' ' PCW . 5.2 m-85 -58.54 -40.2 82.31 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.372 -0.376 . . . . 10.0 111.147 179.404 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 215' ' ' SER . . . . . 0.467 ' O ' ' HG3' ' A' ' 219' ' ' GLU . 16.9 m -64.32 -47.83 77.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 10.0 109.959 179.024 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp -61.48 -41.13 96.8 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.992 0.425 . . . . 10.0 109.864 179.159 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 217' ' ' LEU . . . . . 0.5 ' O ' ' HG ' ' A' ' 221' ' ' LEU . 65.7 mt -63.22 -43.17 98.88 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.081 178.784 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 218' ' ' ARG . . . . . 0.601 ' HA ' HD12 ' A' ' 221' ' ' LEU . 19.2 mtt180 -64.89 -39.71 93.95 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 123.371 0.42 . . . . 10.0 110.982 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 219' ' ' GLU . . . . . 0.467 ' HG3' ' O ' ' A' ' 215' ' ' SER . 51.9 mt-10 -69.25 -32.58 71.88 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.959 0.409 . . . . 10.0 110.448 179.178 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 220' ' ' GLN . . . . . 0.41 ' O ' HG23 ' A' ' 224' ' ' VAL . 6.5 tp-100 -77.91 -30.45 50.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.488 -0.778 . . . . 10.0 110.129 179.122 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 221' ' ' LEU . . . . . 0.601 HD12 ' HA ' ' A' ' 218' ' ' ARG . 33.4 mt -55.81 -34.21 65.15 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 115.91 -0.586 . . . . 10.0 111.356 179.716 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -55.66 -70.61 0.91 Allowed Glycine 0 C--N 1.332 0.326 0 N-CA-C 111.1 -0.8 . . . . 10.0 111.1 178.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -51.06 -42.15 54.08 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.956 2.437 . . . . 10.0 112.005 178.513 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 224' ' ' VAL . . . . . 0.518 HG22 ' HD3' ' D' ' 550' ' ' LYS . 77.7 t -56.69 -55.32 20.32 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 CA-C-O 120.731 0.3 . . . . 10.0 110.958 179.705 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 225' ' ' THR . . . . . 0.403 ' O ' ' HB2' ' A' ' 229' ' ' TRP . 17.7 p -65.77 -37.35 86.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.317 -0.401 . . . . 10.0 110.977 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -58.4 -50.65 72.93 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.095 0.474 . . . . 10.0 111.112 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -71.13 -40.53 71.36 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.907 -0.588 . . . . 10.0 111.34 -179.462 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 228' ' ' PHE . . . . . 0.562 ' HZ ' ' HE1' ' D' ' 547' ' ' TYR . 3.2 m-85 -66.22 -40.69 90.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.624 -0.262 . . . . 10.0 111.655 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 229' ' ' TRP . . . . . 0.403 ' HB2' ' O ' ' A' ' 225' ' ' THR . 1.0 OUTLIER -61.64 -38.7 88.66 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.765 -0.457 . . . . 10.0 109.765 178.895 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -67.92 -43.78 78.39 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.584 -0.524 . . . . 10.0 109.584 178.505 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 231' ' ' ASN . . . . . 0.85 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 67.7 m-20 -62.21 -40.28 95.58 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.899 -0.591 . . . . 10.0 109.92 178.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 67.9 mt -66.25 -39.73 89.68 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.179 -0.674 . . . . 10.0 109.179 178.186 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 233' ' ' GLU . . . . . 0.575 ' HA ' ' OG1' ' A' ' 236' ' ' THR . 12.7 mm-40 -65.04 -29.92 70.85 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.852 -0.613 . . . . 10.0 111.169 179.218 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 234' ' ' LYS . . . . . 0.85 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 37.3 mttt -67.55 -39.29 84.96 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.434 -0.951 . . . . 10.0 108.434 177.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.15 -46.63 64.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 114.823 -1.08 . . . . 10.0 110.366 179.43 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 236' ' ' THR . . . . . 0.575 ' OG1' ' HA ' ' A' ' 233' ' ' GLU . 2.8 p -64.3 -36.46 84.19 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 116.311 -0.404 . . . . 10.0 110.082 179.371 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 237' ' ' GLU . . . . . 0.508 ' HB2' ' O ' ' A' ' 233' ' ' GLU . 2.8 tp10 -60.38 -46.54 89.62 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 108.277 -1.008 . . . . 10.0 108.277 177.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 238' ' ' GLY . . . . . 0.414 ' O ' ' HG3' ' A' ' 242' ' ' GLU . . . -58.98 -46.67 93.35 Favored Glycine 0 N--CA 1.44 -1.054 0 N-CA-C 110.245 -1.142 . . . . 10.0 110.245 178.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 71.4 mt -63.98 -29.92 71.04 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.504 0.187 . . . . 10.0 111.504 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 52.7 mtt180 -69.13 -39.29 78.97 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.056 -0.72 . . . . 10.0 109.056 178.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -74.54 -39.48 62.3 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.034 -0.728 . . . . 10.0 109.034 178.44 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 242' ' ' GLU . . . . . 0.414 ' HG3' ' O ' ' A' ' 238' ' ' GLY . 12.9 mt-10 -66.05 -21.79 66.4 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.46 -0.791 . . . . 10.0 110.06 178.813 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 243' ' ' MET . . . . . 0.845 ' HG3' HD12 ' A' ' 247' ' ' LEU . 49.7 ttm -61.17 -35.54 77.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.38 0.61 . . . . 10.0 109.924 178.622 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 2.1 m -76.27 0.23 20.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.329 -0.85 . . . . 10.0 111.118 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 245' ' ' LYS . . . . . 0.562 ' O ' ' HB2' ' A' ' 249' ' ' GLU . 99.3 mttt -119.34 -60.88 1.69 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.411 -0.589 . . . . 10.0 109.411 178.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 246' ' ' ASP . . . . . 0.612 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 0.3 OUTLIER -58.6 -59.08 5.95 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.52 -0.764 . . . . 10.0 111.501 -179.47 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 247' ' ' LEU . . . . . 0.845 HD12 ' HG3' ' A' ' 243' ' ' MET . 95.7 mt -78.44 -48.65 14.99 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.807 0.669 . . . . 10.0 112.807 -178.734 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -58.94 -48.76 80.34 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.997 0.74 . . . . 10.0 112.997 -179.05 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 249' ' ' GLU . . . . . 0.562 ' HB2' ' O ' ' A' ' 245' ' ' LYS . 43.8 mt-10 -71.53 -32.16 67.85 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.855 -0.338 . . . . 10.0 111.666 -179.368 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 250' ' ' VAL . . . . . 0.707 HG11 H271 ' A' ' 412' ' ' PCW . 1.1 p -70.29 -30.17 42.21 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 C-N-CA 120.505 -0.478 . . . . 10.0 110.138 178.678 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 251' ' ' LYS . . . . . 0.403 ' O ' HG12 ' A' ' 254' ' ' VAL . 69.5 tttt -82.15 -28.53 32.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.081 179.102 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -75.24 -39.97 59.42 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.168 -0.678 . . . . 10.0 109.168 178.567 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 47.2 mttt -81.63 -18.6 44.07 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.488 -0.778 . . . . 10.0 110.975 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 254' ' ' VAL . . . . . 0.577 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.3 OUTLIER -61.61 -27.22 41.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.789 0.328 . . . . 10.0 110.767 179.811 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 255' ' ' GLN . . . . . 0.549 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 71.6 mt-30 -61.92 -65.57 2.07 Favored Pre-proline 0 CA--C 1.531 0.25 0 CA-C-N 115.966 -0.561 . . . . 10.0 111.007 179.445 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 256' ' ' PRO . . . . . 0.549 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 38.2 Cg_endo -66.33 -33.37 38.79 Favored 'Trans proline' 0 C--N 1.355 0.91 0 C-N-CA 122.151 1.901 . . . . 10.0 112.599 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 5.4 m-30 -63.76 -49.54 72.57 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.455 -0.338 . . . . 10.0 110.753 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 44.9 mt -73.36 -30.93 63.65 Favored 'General case' 0 C--O 1.221 -0.419 0 N-CA-C 110.04 -0.356 . . . . 10.0 110.04 178.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 259' ' ' ASP . . . . . 0.43 ' HB3' ' HA ' ' A' ' 256' ' ' PRO . 5.9 t70 -60.56 -54.55 44.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.501 179.476 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -62.11 -47.18 85.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.864 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 2.8 m-30 -61.51 -40.46 94.69 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.187 -0.461 . . . . 10.0 111.652 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -68.13 -43.3 78.64 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.592 -0.276 . . . . 10.0 110.704 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 263' ' ' LYS . . . . . 0.45 ' O ' ' HG3' ' A' ' 267' ' ' GLU . 38.3 mtmt -62.26 -46.1 90.34 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.64 -0.504 . . . . 10.0 109.64 179.16 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 264' ' ' LYS . . . . . 0.694 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 73.6 mttt -62.59 -37.74 87.42 Favored 'General case' 0 C--O 1.223 -0.302 0 N-CA-C 109.715 -0.476 . . . . 10.0 109.715 178.362 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -64.41 -42.5 96.03 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 109.269 -0.641 . . . . 10.0 109.269 178.701 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -64.0 -42.83 97.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.597 -0.728 . . . . 10.0 109.493 178.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 267' ' ' GLU . . . . . 0.45 ' HG3' ' O ' ' A' ' 263' ' ' LYS . 48.3 mt-10 -64.48 -43.65 93.49 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.328 -0.619 . . . . 10.0 109.328 178.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 268' ' ' GLU . . . . . 0.434 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 27.2 mt-10 -59.67 -43.76 93.86 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.197 178.578 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 80.9 mmm -66.67 -39.92 88.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.492 . . . . 10.0 110.716 179.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -60.01 -48.3 82.27 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.514 -0.55 . . . . 10.0 109.514 178.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 95.4 mt -62.47 -42.8 99.74 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.971 -0.559 . . . . 10.0 110.386 179.17 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 272' ' ' TYR . . . . . 0.449 ' HD1' ' HA ' ' A' ' 272' ' ' TYR . 0.1 OUTLIER -65.42 -35.52 81.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.011 -0.541 . . . . 10.0 111.159 179.887 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 48.3 mtt180 -75.29 -37.44 60.87 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.148 0.499 . . . . 10.0 110.326 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -72.42 -17.92 61.76 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.596 179.324 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 275' ' ' LYS . . . . . 0.567 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 8.1 mptt -98.1 -37.32 9.78 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.232 -0.44 . . . . 10.0 111.189 179.266 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 5.4 p -56.75 -32.5 38.27 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.292 0 N-CA-C 112.624 0.602 . . . . 10.0 112.624 -178.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 83.4 mt-10 -67.03 -61.12 5.16 Favored Pre-proline 0 CA--C 1.534 0.36 0 N-CA-C 112.326 0.491 . . . . 10.0 112.326 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -61.43 -35.77 81.3 Favored 'Trans proline' 0 C--N 1.354 0.865 0 C-N-CA 121.756 1.637 . . . . 10.0 111.632 178.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 279' ' ' LEU . . . . . 0.64 ' O ' ' HG ' ' A' ' 283' ' ' LEU . 63.4 mt -66.8 -43.39 84.0 Favored 'General case' 0 CA--C 1.522 -0.132 0 CA-C-O 120.702 0.287 . . . . 10.0 110.248 179.281 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -58.97 -35.21 72.8 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 116.094 -0.503 . . . . 10.0 109.799 178.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -59.87 -50.88 72.04 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.014 178.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -62.92 -42.43 99.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.693 -0.685 . . . . 10.0 110.238 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 283' ' ' LEU . . . . . 0.64 ' HG ' ' O ' ' A' ' 279' ' ' LEU . 43.9 mt -65.09 -38.23 90.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.073 -0.512 . . . . 10.0 111.089 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -71.72 -54.67 9.55 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.377 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -61.36 -39.5 90.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.329 -0.396 . . . . 10.0 111.057 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -65.69 -44.35 92.62 Favored Glycine 0 N--CA 1.446 -0.679 0 N-CA-C 110.223 -1.151 . . . . 10.0 110.223 178.596 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -64.94 -39.57 93.71 Favored 'General case' 0 C--O 1.224 -0.27 0 N-CA-C 109.866 -0.42 . . . . 10.0 109.866 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -55.44 -47.0 76.69 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.154 -0.475 . . . . 10.0 109.833 178.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -68.33 -50.6 52.18 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.738 179.419 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 290' ' ' LYS . . . . . 0.431 ' O ' ' HG ' ' A' ' 294' ' ' LEU . 78.2 mttt -58.28 -43.81 88.15 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.288 0.477 . . . . 10.0 112.288 -179.215 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 88.3 mt -66.61 -42.76 86.33 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.718 0.294 . . . . 10.0 110.439 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 292' ' ' HIS . . . . . 0.409 ' O ' ' HG2' ' A' ' 296' ' ' GLU . 0.5 OUTLIER -65.17 -38.75 91.52 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.365 -0.606 . . . . 10.0 109.365 178.88 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 293' ' ' GLU . . . . . 0.472 ' O ' ' HG2' ' A' ' 297' ' ' LYS . 1.1 tp10 -60.19 -40.84 91.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.58 -0.736 . . . . 10.0 109.727 179.093 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 294' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 290' ' ' LYS . 87.5 mt -71.42 -35.4 70.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.739 -0.664 . . . . 10.0 110.0 179.111 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -67.39 -31.41 71.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.033 179.069 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 296' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' ' 292' ' ' HIS . 75.8 mm-40 -68.24 -10.39 54.23 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.764 -0.653 . . . . 10.0 109.994 178.486 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 297' ' ' LYS . . . . . 0.584 ' HB3' HD12 ' A' ' 301' ' ' LEU . 64.6 mmtt -107.48 -47.46 3.63 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.127 -0.694 . . . . 10.0 109.127 178.565 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 86.5 mt -59.54 -25.28 64.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.773 -0.649 . . . . 10.0 112.439 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 299' ' ' SER . . . . . 0.57 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 15.2 m -77.03 -66.07 0.35 Allowed Pre-proline 0 C--N 1.322 -0.594 0 CA-C-O 119.351 -0.357 . . . . 10.0 111.957 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 300' ' ' PRO . . . . . 0.57 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 39.6 Cg_endo -68.91 -50.0 0.63 Allowed 'Trans proline' 0 C--N 1.356 0.97 0 C-N-CA 121.654 1.569 . . . . 10.0 112.624 -179.745 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 301' ' ' LEU . . . . . 0.629 HD13 ' HG2' ' D' ' 473' ' ' LYS . 85.2 mt -65.83 -32.02 73.31 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 120.752 0.311 . . . . 10.0 110.512 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 302' ' ' GLY . . . . . 0.516 ' O ' ' HG3' ' A' ' 306' ' ' ARG . . . -70.32 -43.82 61.4 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 110.739 -0.945 . . . . 10.0 110.739 178.565 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -62.35 -45.9 91.07 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.023 -0.732 . . . . 10.0 109.023 178.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -62.61 -38.64 90.96 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.356 -0.838 . . . . 10.0 109.239 178.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 305' ' ' MET . . . . . 0.404 ' SD ' HD13 ' D' ' 469' ' ' LEU . 11.6 tpt -62.75 -39.36 93.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.429 179.106 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 306' ' ' ARG . . . . . 0.516 ' HG3' ' O ' ' A' ' 302' ' ' GLY . 47.1 mtt180 -63.71 -40.43 96.76 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.006 -0.543 . . . . 10.0 109.659 178.755 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -70.14 -36.58 74.86 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.213 179.279 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 308' ' ' ARG . . . . . 0.464 ' HD2' ' OE2' ' D' ' 465' ' ' GLU . 8.4 mmt85 -69.2 -35.5 76.29 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.229 -0.656 . . . . 10.0 109.229 178.256 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 309' ' ' ALA . . . . . 0.512 ' O ' HG23 ' A' ' 313' ' ' VAL . . . -62.72 -40.27 96.66 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 108.331 -0.989 . . . . 10.0 108.331 178.046 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 310' ' ' ARG . . . . . 0.516 ' HG3' ' O ' ' A' ' 306' ' ' ARG . 76.8 mtt180 -59.1 -49.47 77.77 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-N 115.308 -0.86 . . . . 10.0 108.75 178.077 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -60.77 -39.44 88.82 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.748 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -60.47 -54.01 50.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.893 -0.594 . . . . 10.0 109.993 179.303 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 313' ' ' VAL . . . . . 0.799 HG12 ' HE ' ' A' ' 317' ' ' ARG . 9.5 t -71.94 -26.38 25.37 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.24 0 CA-C-N 115.629 -0.714 . . . . 10.0 111.272 -179.453 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -64.2 -49.3 72.55 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 109.25 -0.648 . . . . 10.0 109.25 178.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -64.41 -37.38 87.31 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.669 -0.696 . . . . 10.0 109.209 178.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 316' ' ' LEU . . . . . 0.756 HD11 H283 ' D' ' 602' ' ' PCW . 29.3 mt -63.82 -51.96 62.36 Favored 'General case' 0 C--O 1.22 -0.48 0 CA-C-N 115.685 -0.689 . . . . 10.0 110.1 179.106 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 317' ' ' ARG . . . . . 0.799 ' HE ' HG12 ' A' ' 313' ' ' VAL . 32.4 mtm180 -63.11 -43.52 98.2 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.799 0.296 . . . . 10.0 111.799 -179.474 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 26.0 m -63.39 -30.71 71.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.823 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 14.6 m170 -90.18 -33.62 16.14 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.985 -0.286 . . . . 10.0 111.68 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 31.7 mt -67.89 -31.09 70.64 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.944 0.35 . . . . 10.0 111.944 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 321' ' ' ALA . . . . . 0.409 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -55.36 -60.01 9.51 Favored Pre-proline 0 CA--C 1.536 0.411 0 N-CA-C 111.975 0.361 . . . . 10.0 111.975 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 322' ' ' PRO . . . . . 0.409 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 40.8 Cg_endo -69.53 -28.04 26.85 Favored 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 121.274 1.316 . . . . 10.0 111.489 178.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 323' ' ' TYR . . . . . 0.481 ' CD1' ' HE3' ' D' ' 451' ' ' LYS . 10.6 m-30 -66.9 -47.93 70.3 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 116.5 -0.318 . . . . 10.0 111.166 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 324' ' ' SER . . . . . 0.477 ' HA ' HD12 ' A' ' 327' ' ' LEU . 22.0 p -65.57 -36.97 85.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.792 0.33 . . . . 10.0 110.35 179.708 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -62.74 -38.55 90.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.175 0.512 . . . . 10.0 109.621 178.358 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -72.54 -31.9 65.65 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 109.258 -0.645 . . . . 10.0 109.258 178.115 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 327' ' ' LEU . . . . . 0.477 HD12 ' HA ' ' A' ' 324' ' ' SER . 53.5 mt -64.91 -32.84 74.74 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 108.89 -0.782 . . . . 10.0 108.89 177.567 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 328' ' ' ARG . . . . . 0.403 ' HG3' ' O ' ' A' ' 324' ' ' SER . 69.9 mtt180 -64.05 -44.0 93.79 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 108.645 -0.872 . . . . 10.0 108.645 178.254 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -64.35 -38.38 90.84 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.537 -0.756 . . . . 10.0 109.477 178.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 330' ' ' ARG . . . . . 0.443 ' NH2' ' HA ' ' D' ' 444' ' ' ASP . 35.0 mtt-85 -63.8 -50.55 68.5 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 109.15 -0.685 . . . . 10.0 109.15 178.613 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 48.6 mt -58.59 -43.85 89.65 Favored 'General case' 0 C--O 1.223 -0.341 0 CA-C-N 115.441 -0.8 . . . . 10.0 110.077 178.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -63.22 -52.48 62.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.666 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -58.92 -42.94 90.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 10.0 110.859 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 334' ' ' ARG . . . . . 0.468 ' O ' ' HG ' ' A' ' 338' ' ' LEU . 49.7 mtt-85 -66.77 -43.57 83.7 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.234 179.216 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 335' ' ' LEU . . . . . 0.45 ' HB3' ' HE3' ' A' ' 339' ' ' LYS . 30.8 mt -61.03 -43.38 98.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.598 -0.273 . . . . 10.0 110.709 178.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -62.93 -42.46 99.81 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.71 0.29 . . . . 10.0 110.413 179.238 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -63.5 -40.38 96.9 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.341 -0.614 . . . . 10.0 109.341 178.409 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 338' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 334' ' ' ARG . 96.0 mt -70.62 -17.78 62.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.111 -0.95 . . . . 10.0 110.6 178.744 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 339' ' ' LYS . . . . . 0.45 ' HE3' ' HB3' ' A' ' 335' ' ' LEU . 68.6 mttt -86.0 -47.65 9.39 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.372 -0.603 . . . . 10.0 109.372 178.476 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -60.33 -55.18 36.72 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.762 -0.654 . . . . 10.0 109.677 178.481 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -73.24 -31.34 64.07 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.666 -0.697 . . . . 10.0 110.486 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 342' ' ' GLY . . . . . 0.417 ' HA3' ' O ' ' A' ' 338' ' ' LEU . . . -63.13 -47.84 84.9 Favored Glycine 0 N--CA 1.454 -0.116 0 C-N-CA 120.994 -0.622 . . . . 10.0 111.875 179.654 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -60.39 -41.24 98.44 Favored Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 110.887 -0.885 . . . . 10.0 110.887 178.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -65.51 -44.42 87.05 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.701 -0.481 . . . . 10.0 109.701 178.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 10.1 mtm180 -60.62 -46.47 90.17 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.647 179.321 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 91.9 mt -59.91 -47.82 84.22 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.209 -0.451 . . . . 10.0 110.915 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.58 -49.04 79.13 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.499 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -63.73 -40.1 95.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.852 179.446 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -61.96 -43.97 97.74 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.426 -0.352 . . . . 10.0 110.319 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 48.0 m-70 -70.48 -34.83 72.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.378 -0.373 . . . . 10.0 110.441 179.332 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -65.63 -47.38 75.81 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.036 -0.727 . . . . 10.0 109.036 178.123 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 10.7 mtmm -63.29 -37.23 86.44 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 115.554 -0.748 . . . . 10.0 109.537 178.166 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 353' ' ' ALA . . . . . 0.465 ' O ' ' HG ' ' A' ' 357' ' ' LEU . . . -65.07 -37.92 89.09 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.709 -0.678 . . . . 10.0 109.638 179.096 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 40.3 m -63.77 -47.06 82.48 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.224 -0.443 . . . . 10.0 109.819 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -64.32 -36.98 85.9 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.191 0.519 . . . . 10.0 109.856 178.534 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 356' ' ' HIS . . . . . 0.662 ' CD2' H222 ' A' ' 401' ' ' PCW . 15.7 t60 -67.31 -35.38 79.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.436 -0.802 . . . . 10.0 109.833 178.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 357' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 353' ' ' ALA . 56.2 mt -68.26 -36.41 79.39 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.525 178.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 15.8 m -64.35 -46.33 83.91 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.744 -0.465 . . . . 10.0 109.744 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.48 -26.21 62.6 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.186 0.517 . . . . 10.0 110.168 179.07 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 31.3 tp -71.99 -31.0 65.83 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 108.835 -0.802 . . . . 10.0 108.835 178.073 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 49.1 m -68.16 -28.66 67.48 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.55 -0.75 . . . . 10.0 109.303 178.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 362' ' ' GLU . . . . . 0.423 ' O ' ' HD2' ' A' ' 366' ' ' PRO . 36.5 mm-40 -68.2 -25.82 65.41 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 108.765 -0.828 . . . . 10.0 108.765 177.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 363' ' ' LYS . . . . . 0.816 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 96.2 mttt -88.33 -32.05 18.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.437 -0.801 . . . . 10.0 109.893 178.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 364' ' ' ALA . . . . . 0.58 ' HA ' HD12 ' A' ' 368' ' ' LEU . . . -78.73 -39.52 36.05 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.9 0.704 . . . . 10.0 112.9 -178.733 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 365' ' ' LYS . . . . . 1.017 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 73.7 mttt -93.62 -74.29 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 113.057 0.762 . . . . 10.0 113.057 -179.296 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 366' ' ' PRO . . . . . 1.017 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 34.6 Cg_exo -63.11 -57.4 0.41 Allowed 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 122.18 1.92 . . . . 10.0 113.481 -179.131 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 367' ' ' ALA . . . . . 0.816 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -57.45 -49.26 76.83 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 113.079 0.77 . . . . 10.0 113.079 -178.388 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 368' ' ' LEU . . . . . 0.58 HD12 ' HA ' ' A' ' 364' ' ' ALA . 11.0 mt -64.36 -41.14 96.89 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.698 0.259 . . . . 10.0 111.698 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -62.35 -46.36 89.03 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.348 -0.612 . . . . 10.0 109.348 178.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -57.52 -43.09 83.99 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.632 -0.713 . . . . 10.0 110.204 178.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 13.2 mt -60.47 -48.83 80.03 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.028 178.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 372' ' ' ARG . . . . . 0.505 ' O ' ' HG ' ' A' ' 376' ' ' LEU . 78.0 mtt180 -63.29 -40.45 97.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.062 -0.517 . . . . 10.0 111.065 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -61.07 -41.85 97.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.399 179.223 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -75.74 -23.68 71.9 Favored Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.68 -0.691 . . . . 10.0 112.35 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 20.7 mt -81.81 -26.67 34.16 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.027 0.38 . . . . 10.0 112.027 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 376' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 372' ' ' ARG . 89.2 mt -50.47 -58.92 8.35 Favored Pre-proline 0 CA--C 1.535 0.37 0 N-CA-C 112.541 0.571 . . . . 10.0 112.541 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -67.47 -28.98 38.15 Favored 'Trans proline' 0 C--N 1.357 0.975 0 C-N-CA 121.892 1.728 . . . . 10.0 111.387 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 378' ' ' VAL . . . . . 0.432 ' O ' ' HB2' ' A' ' 382' ' ' PHE . 44.5 t -63.81 -42.2 95.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.223 179.486 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 82.0 mt -62.66 -36.7 83.7 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.585 -0.524 . . . . 10.0 109.585 179.075 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 380' ' ' GLU . . . . . 0.546 ' O ' HG23 ' A' ' 384' ' ' VAL . 22.3 mt-10 -68.58 -51.76 39.11 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.668 -0.697 . . . . 10.0 110.921 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 10.8 p -62.98 -35.1 79.05 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.009 0.433 . . . . 10.0 110.732 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 382' ' ' PHE . . . . . 0.432 ' HB2' ' O ' ' A' ' 378' ' ' VAL . 1.7 t80 -66.87 -40.65 87.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.168 -0.469 . . . . 10.0 109.812 178.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -62.59 -39.96 95.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.033 -0.53 . . . . 10.0 110.656 179.277 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 384' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 380' ' ' GLU . 50.8 t -57.9 -50.95 76.13 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-O 120.939 0.4 . . . . 10.0 109.922 179.217 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 14.8 m -68.62 -30.85 69.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.825 -0.625 . . . . 10.0 111.459 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -71.06 -47.41 58.59 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.539 -0.3 . . . . 10.0 110.733 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 387' ' ' LEU . . . . . 0.427 ' O ' ' HG3' ' A' ' 391' ' ' GLU . 94.7 mt -60.82 -43.72 97.85 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.522 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 388' ' ' SER . . . . . 0.821 ' HB2' ' HE2' ' D' ' 594' ' ' LYS . 3.3 p -66.74 -37.19 84.17 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.47 179.563 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -63.77 -40.23 96.18 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.978 0.418 . . . . 10.0 110.111 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 81.2 mt -62.89 -38.8 92.35 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.428 -0.582 . . . . 10.0 109.428 178.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 391' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' A' ' 387' ' ' LEU . 51.5 mt-10 -69.62 -38.29 77.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.637 -0.71 . . . . 10.0 109.562 178.5 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -55.3 -47.9 74.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.38 178.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -64.18 -44.5 91.84 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.543 -0.753 . . . . 10.0 110.119 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 394' ' ' THR . . . . . 0.417 ' O ' ' HB3' ' A' ' 398' ' ' ASN . 14.3 m -65.24 -34.69 78.96 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.093 -0.503 . . . . 10.0 111.958 -179.376 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -75.99 -35.91 59.42 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.713 0.635 . . . . 10.0 112.713 -179.125 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 396' ' ' LYS . . . . . 0.648 ' HG2' ' HB2' ' D' ' 587' ' ' ALA . 0.1 OUTLIER -93.5 -28.36 16.12 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 113.914 1.079 . . . . 10.0 113.914 -178.352 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 92.2 mt -98.45 0.74 45.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.776 0.322 . . . . 10.0 111.635 -179.498 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 398' ' ' ASN . . . . . 0.417 ' HB3' ' O ' ' A' ' 394' ' ' THR . 28.4 t30 . . . . . 0 C--N 1.321 -0.657 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.777 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.456 -0.171 0 CA-C-O 120.836 0.35 . . . . 10.0 110.391 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 400' ' ' LYS . . . . . 0.416 ' NZ ' ' HB2' ' D' ' 400' ' ' LYS . 0.0 OUTLIER -86.94 36.57 0.73 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.05 -179.767 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 75.7 mt -68.61 -43.54 76.19 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.613 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 402' ' ' LEU . . . . . 0.491 HD12 ' H ' ' D' ' 402' ' ' LEU . 5.4 mp -64.58 -32.43 74.08 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.967 -0.561 . . . . 10.0 110.594 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -63.43 -56.44 16.17 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.668 -0.697 . . . . 10.0 109.838 179.276 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 404' ' ' ASN . . . . . 0.404 ' O ' HG23 ' D' ' 408' ' ' VAL . 63.2 t30 -61.99 -37.64 85.59 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.928 -0.578 . . . . 10.0 109.977 179.501 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -59.29 -40.71 87.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.793 -0.639 . . . . 10.0 110.911 179.227 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -64.23 -44.14 92.78 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 109.951 -0.389 . . . . 10.0 109.951 179.348 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 5.1 m -59.78 -45.54 91.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.273 178.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 408' ' ' VAL . . . . . 0.404 HG23 ' O ' ' D' ' 404' ' ' ASN . 70.6 t -60.37 -45.32 96.73 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.145 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.381 179.095 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 24.1 m -62.32 -35.14 78.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.07 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 14.4 m -66.84 -34.21 77.31 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.224 179.247 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 411' ' ' THR . . . . . 0.479 HG22 ' HE2' ' A' ' 363' ' ' LYS . 0.1 OUTLIER -71.32 -27.73 63.6 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 109.509 -0.552 . . . . 10.0 109.509 178.668 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -70.88 -37.21 73.03 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 108.725 -0.842 . . . . 10.0 108.725 177.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 13.0 m -61.86 -43.85 98.01 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 108.97 -0.752 . . . . 10.0 108.97 177.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 414' ' ' LYS . . . . . 0.451 ' HD3' ' HA ' ' D' ' 414' ' ' LYS . 58.3 mmtt -65.41 -28.64 69.4 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.123 -0.49 . . . . 10.0 110.262 178.63 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.04 -45.57 66.84 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 108.29 -1.004 . . . . 10.0 108.29 178.055 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 74.8 mtt180 -63.11 -32.76 74.21 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.412 -0.813 . . . . 10.0 110.219 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -62.87 -38.84 92.47 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.319 0.58 . . . . 10.0 109.865 178.347 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 418' ' ' GLN . . . . . 0.573 ' O ' ' HB ' ' D' ' 422' ' ' VAL . 46.0 mt-30 -76.55 -37.33 56.8 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.687 -0.688 . . . . 10.0 110.473 179.523 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 62.2 mt -71.04 9.97 0.63 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.008 -0.542 . . . . 10.0 112.174 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -99.97 -79.99 1.48 Allowed Glycine 0 N--CA 1.444 -0.784 0 N-CA-C 110.919 -0.872 . . . . 10.0 110.919 178.541 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 421' ' ' PRO . . . . . 0.469 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 25.6 Cg_exo -65.31 -41.3 16.36 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.7 2.267 . . . . 10.0 112.203 179.445 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 422' ' ' VAL . . . . . 0.573 ' HB ' ' O ' ' D' ' 418' ' ' GLN . 83.1 t -57.52 -41.45 78.92 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.168 0 N-CA-C 112.381 0.512 . . . . 10.0 112.381 -179.172 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 6.4 p -68.17 -41.15 81.91 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.553 -0.459 . . . . 10.0 110.144 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -62.05 -48.25 81.06 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.796 179.275 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 425' ' ' GLU . . . . . 0.469 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 11.9 pt-20 -70.69 -32.26 69.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.044 -0.526 . . . . 10.0 110.672 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 426' ' ' PHE . . . . . 0.419 ' O ' ' HG ' ' D' ' 430' ' ' LEU . 24.4 t80 -66.72 -38.32 86.48 Favored 'General case' 0 CA--C 1.52 -0.208 0 N-CA-C 109.175 -0.676 . . . . 10.0 109.175 178.449 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 11.4 m0 -65.82 -39.77 91.19 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.26 -0.644 . . . . 10.0 109.26 178.247 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -66.25 -38.03 86.88 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.618 -0.882 . . . . 10.0 108.618 178.029 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -64.11 -47.62 79.29 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.757 -0.831 . . . . 10.0 108.757 177.499 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 430' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' D' ' 426' ' ' PHE . 74.9 mt -61.39 -37.07 82.09 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.529 -0.759 . . . . 10.0 109.725 179.186 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -61.76 -43.53 98.67 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.222 -0.658 . . . . 10.0 109.222 178.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 23.9 mttp -61.9 -42.91 99.63 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 108.679 -0.86 . . . . 10.0 108.679 178.02 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -63.0 -45.13 93.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.663 -0.699 . . . . 10.0 110.275 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 6.6 m -62.59 -46.45 88.26 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 110.067 -0.346 . . . . 10.0 110.067 179.228 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 435' ' ' GLU . . . . . 0.481 ' OE1' ' HD2' ' D' ' 438' ' ' ARG . 4.6 mm-40 -64.47 -43.27 94.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.942 179.467 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -64.06 -43.58 97.09 Favored Glycine 0 N--CA 1.452 -0.296 0 N-CA-C 110.86 -0.896 . . . . 10.0 110.86 178.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 84.2 mt -66.57 -31.65 72.49 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.989 -0.375 . . . . 10.0 109.989 178.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 438' ' ' ARG . . . . . 0.481 ' HD2' ' OE1' ' D' ' 435' ' ' GLU . 50.6 mtt180 -62.75 -35.83 81.06 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 109.952 -0.388 . . . . 10.0 109.952 178.589 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -65.46 -35.77 81.89 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 109.153 -0.684 . . . . 10.0 109.153 178.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 78.1 mt-10 -75.2 -49.83 18.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.862 -0.608 . . . . 10.0 109.63 178.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 97.7 mmm -58.88 -40.28 83.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.741 -0.663 . . . . 10.0 112.76 -178.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 5.7 p -61.56 -49.92 74.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.894 0.378 . . . . 10.0 110.048 179.362 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -65.15 -39.71 93.35 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.001 -0.545 . . . . 10.0 109.865 179.057 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 444' ' ' ASP . . . . . 0.443 ' HA ' ' NH2' ' A' ' 330' ' ' ARG . 9.2 t70 -60.76 -56.68 18.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.545 -0.752 . . . . 10.0 111.119 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 86.5 mt -65.83 -43.29 89.01 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.882 -0.599 . . . . 10.0 112.501 -178.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -61.98 -45.3 94.25 Favored 'General case' 0 CA--C 1.518 -0.27 0 C-N-CA 120.764 -0.374 . . . . 10.0 110.312 179.236 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 447' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -68.49 -36.33 78.78 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.918 -0.401 . . . . 10.0 109.918 178.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 2.0 t -55.19 -39.64 52.04 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.05 0 CA-C-O 120.845 0.355 . . . . 10.0 110.358 179.147 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -60.78 -39.7 89.82 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.217 0.532 . . . . 10.0 110.196 178.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -89.85 0.39 57.07 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.751 -0.659 . . . . 10.0 111.642 -179.327 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 451' ' ' LYS . . . . . 0.481 ' HE3' ' CD1' ' A' ' 323' ' ' TYR . 5.3 mmmm -107.2 -45.45 4.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.594 0.235 . . . . 10.0 110.895 179.523 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 82.6 t -64.85 -36.23 77.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.397 -0.365 . . . . 10.0 111.227 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -57.62 -60.9 8.43 Favored Pre-proline 0 CA--C 1.536 0.408 0 C-N-CA 121.06 -0.256 . . . . 10.0 111.644 179.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -66.86 -30.35 40.46 Favored 'Trans proline' 0 C--N 1.353 0.809 0 C-N-CA 121.944 1.762 . . . . 10.0 111.368 178.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 455' ' ' TYR . . . . . 0.492 ' HB2' H281 ' D' ' 601' ' ' PCW . 78.4 t80 -61.56 -47.71 84.26 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.229 -0.656 . . . . 10.0 109.229 178.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 21.1 mt -67.19 -37.3 83.44 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.589 -0.732 . . . . 10.0 110.856 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -67.18 -50.83 59.62 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.977 0.418 . . . . 10.0 110.348 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -61.09 -40.37 93.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.592 -0.731 . . . . 10.0 110.437 179.346 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 459' ' ' PHE . . . . . 0.405 ' HB2' ' O ' ' D' ' 455' ' ' TYR . 1.7 m-85 -70.71 -40.64 72.7 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.458 179.017 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -63.67 -36.69 84.66 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 110.146 -0.316 . . . . 10.0 110.146 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 57.4 mttt -62.97 -37.33 86.69 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 109.011 -0.737 . . . . 10.0 109.011 177.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 15.0 mtmm -71.16 -34.95 71.45 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.099 -0.5 . . . . 10.0 109.975 178.357 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 38.3 m0 -69.74 -38.75 76.93 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.736 -0.838 . . . . 10.0 108.736 178.13 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -61.26 -52.1 66.15 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 115.635 -0.711 . . . . 10.0 109.353 178.477 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 465' ' ' GLU . . . . . 0.532 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 12.5 mt-10 -52.8 -53.71 44.56 Favored 'General case' 0 C--N 1.333 -0.15 0 O-C-N 123.675 0.609 . . . . 10.0 110.152 178.76 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.18 -40.33 89.62 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.152 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 33.1 ttm -63.07 -46.26 88.28 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 120.98 0.419 . . . . 10.0 110.469 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -64.79 -39.77 94.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.916 -0.583 . . . . 10.0 109.743 178.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 469' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' D' ' 465' ' ' GLU . 97.4 mt -61.98 -39.67 92.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.791 -0.64 . . . . 10.0 110.389 178.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 18.9 m-30 -64.95 -30.93 71.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.918 0.39 . . . . 10.0 110.761 179.251 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 471' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' D' ' 471' ' ' ARG . 63.2 mtt180 -70.6 -26.97 63.75 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.223 179.728 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -107.64 2.25 23.76 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.951 -179.021 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 473' ' ' LYS . . . . . 0.629 ' HG2' HD13 ' A' ' 301' ' ' LEU . 88.8 mttt -127.15 -66.49 0.89 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.477 -0.329 . . . . 10.0 110.907 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 55.6 t -56.43 -44.5 80.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.533 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 475' ' ' GLU . . . . . 0.703 ' HB2' ' HD3' ' D' ' 476' ' ' PRO . 35.7 mt-10 -63.86 -60.73 8.29 Favored Pre-proline 0 CA--C 1.541 0.596 0 N-CA-C 112.25 0.463 . . . . 10.0 112.25 179.525 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 476' ' ' PRO . . . . . 0.703 ' HD3' ' HB2' ' D' ' 475' ' ' GLU . 68.9 Cg_exo -56.67 -39.21 92.92 Favored 'Trans proline' 0 C--N 1.355 0.872 0 C-N-CA 122.385 2.057 . . . . 10.0 111.557 179.047 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 477' ' ' LEU . . . . . 0.516 HD21 ' HG3' ' A' ' 297' ' ' LYS . 19.3 mt -67.86 -31.62 71.56 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 116.485 -0.325 . . . . 10.0 110.815 179.485 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 17.4 ttm180 -64.75 -41.21 96.07 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.265 -0.643 . . . . 10.0 109.265 178.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -71.24 -38.68 71.95 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.726 -0.67 . . . . 10.0 109.807 179.133 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -64.5 -47.96 76.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.621 -0.718 . . . . 10.0 109.699 179.135 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 76.9 mt -66.84 -32.11 73.16 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.746 -0.661 . . . . 10.0 110.454 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -66.38 -40.63 89.81 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.584 -0.524 . . . . 10.0 109.584 178.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -70.72 -42.63 70.31 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 109.439 -0.578 . . . . 10.0 109.439 179.13 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -61.71 -39.51 97.53 Favored Glycine 0 N--CA 1.45 -0.388 0 N-CA-C 110.257 -1.137 . . . . 10.0 110.257 178.078 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -69.08 -36.58 77.77 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.166 -0.679 . . . . 10.0 109.166 178.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 67.9 mtt180 -62.24 -44.4 96.65 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.126 -0.694 . . . . 10.0 109.126 178.418 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -63.9 -41.98 97.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.601 -0.727 . . . . 10.0 109.343 178.153 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -65.09 -36.9 85.77 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.848 -0.615 . . . . 10.0 109.751 178.612 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 27.8 mt -63.81 -38.73 92.17 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 108.537 -0.912 . . . . 10.0 108.537 178.304 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -67.59 -42.13 82.97 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 108.48 -0.933 . . . . 10.0 108.48 178.278 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -57.66 -43.14 84.74 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 108.273 -1.01 . . . . 10.0 108.273 177.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 93.2 mt -67.53 -39.62 85.04 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.583 -0.735 . . . . 10.0 110.705 178.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -58.87 -42.01 88.41 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.769 0.319 . . . . 10.0 110.353 179.166 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -77.19 13.8 1.06 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.921 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 495' ' ' LYS . . . . . 0.563 ' HE3' HD22 ' A' ' 279' ' ' LEU . 30.0 mttp -128.72 -45.86 1.3 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.113 -0.494 . . . . 10.0 109.745 178.738 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 496' ' ' LEU . . . . . 0.488 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 96.3 mt -59.77 -33.24 71.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.998 -0.547 . . . . 10.0 111.301 179.801 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 497' ' ' SER . . . . . 0.509 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 6.0 m -77.23 -65.9 0.35 Allowed Pre-proline 0 CA--C 1.538 0.494 0 CA-C-O 119.424 -0.322 . . . . 10.0 111.571 179.683 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 498' ' ' PRO . . . . . 0.509 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 25.6 Cg_endo -61.56 -53.02 2.56 Favored 'Trans proline' 0 C--N 1.358 1.065 0 C-N-CA 121.721 1.614 . . . . 10.0 112.574 -179.547 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 499' ' ' LEU . . . . . 0.518 HD21 ' HG2' ' A' ' 275' ' ' LYS . 78.7 mt -68.51 -25.8 65.13 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.915 0.388 . . . . 10.0 110.681 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 500' ' ' GLY . . . . . 0.488 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -71.93 -50.08 19.94 Favored Glycine 0 N--CA 1.448 -0.512 0 N-CA-C 110.45 -1.06 . . . . 10.0 110.45 178.619 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -63.44 -36.27 83.19 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 108.984 -0.747 . . . . 10.0 108.984 178.275 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 502' ' ' GLU . . . . . 0.44 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 32.7 tt0 -65.95 -41.2 91.55 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.522 -0.763 . . . . 10.0 109.247 178.675 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 503' ' ' MET . . . . . 0.432 ' HA ' ' HD2' ' D' ' 506' ' ' ARG . 3.3 tmm? -62.85 -40.42 97.4 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 108.783 -0.821 . . . . 10.0 108.783 178.31 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 504' ' ' ARG . . . . . 0.42 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 97.7 mtt180 -63.08 -43.09 99.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.398 -0.819 . . . . 10.0 109.513 178.472 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.86 -44.03 97.22 Favored 'General case' 0 N--CA 1.462 0.16 0 N-CA-C 109.675 -0.491 . . . . 10.0 109.675 178.56 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 506' ' ' ARG . . . . . 0.44 ' HG3' ' O ' ' D' ' 502' ' ' GLU . 46.8 mtt180 -60.0 -46.36 89.72 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 108.904 -0.776 . . . . 10.0 108.904 178.199 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -60.14 -41.6 93.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.605 -0.725 . . . . 10.0 109.942 179.144 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 508' ' ' ARG . . . . . 0.42 ' HG3' ' O ' ' D' ' 504' ' ' ARG . 74.7 mtt180 -60.02 -46.08 90.69 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 109.742 -0.466 . . . . 10.0 109.742 178.572 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 509' ' ' ALA . . . . . 0.694 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -65.74 -34.97 79.42 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.645 -0.707 . . . . 10.0 110.986 179.713 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 510' ' ' HIS . . . . . 0.579 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 7.3 m-70 -73.68 -49.89 23.59 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.29 -0.414 . . . . 10.0 110.429 179.148 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 62.2 t -62.12 -43.01 97.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.501 . . . . 10.0 110.95 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 512' ' ' ASP . . . . . 0.586 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 11.1 t70 -64.4 -35.45 80.95 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 109.849 -0.426 . . . . 10.0 109.849 179.356 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -68.16 -39.1 82.67 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 108.652 -0.87 . . . . 10.0 108.652 178.305 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 514' ' ' LEU . . . . . 0.579 ' HG ' ' O ' ' D' ' 510' ' ' HIS . 88.1 mt -61.47 -30.83 70.85 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.126 178.6 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 515' ' ' ARG . . . . . 0.586 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 90.4 mtt180 -68.98 -26.7 65.16 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.123 -0.49 . . . . 10.0 110.213 178.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -105.45 1.87 28.09 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.177 0.513 . . . . 10.0 110.951 179.691 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -115.0 -57.64 2.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.245 -0.434 . . . . 10.0 111.54 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 72.5 mt -75.59 -49.39 18.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.947 -0.57 . . . . 10.0 112.449 -178.471 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 519' ' ' ALA . . . . . 0.642 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -52.63 -56.86 18.81 Favored Pre-proline 0 CA--C 1.534 0.363 0 N-CA-C 112.592 0.589 . . . . 10.0 112.592 -179.49 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 520' ' ' PRO . . . . . 0.642 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 40.7 Cg_exo -60.13 -39.94 64.82 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 121.824 1.683 . . . . 10.0 110.959 179.071 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 521' ' ' TYR . . . . . 0.491 ' OH ' H272 ' A' ' 412' ' ' PCW . 20.3 t80 -61.69 -39.37 91.22 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.401 179.695 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 522' ' ' SER . . . . . 0.433 ' O ' ' HG3' ' D' ' 526' ' ' ARG . 45.2 m -63.71 -38.31 90.65 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 109.476 -0.564 . . . . 10.0 109.476 178.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 523' ' ' ASP . . . . . 0.847 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 13.5 t70 -68.31 -39.3 82.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.85 -0.614 . . . . 10.0 109.844 179.155 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -64.66 -42.24 95.54 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 108.552 -0.907 . . . . 10.0 108.552 177.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 525' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' D' ' 521' ' ' TYR . 80.5 mt -64.83 -29.46 70.42 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-N 115.429 -0.805 . . . . 10.0 110.451 178.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 526' ' ' ARG . . . . . 0.847 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 94.0 mtt180 -62.53 -42.77 99.74 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.075 -0.713 . . . . 10.0 109.075 178.295 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -67.76 -39.46 84.17 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.773 -0.649 . . . . 10.0 110.314 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 528' ' ' ARG . . . . . 0.612 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 76.0 mtt180 -71.4 -47.96 52.78 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.782 -0.644 . . . . 10.0 110.932 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 26.7 mt -61.73 -33.72 74.54 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.558 -0.292 . . . . 10.0 110.43 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 530' ' ' ALA . . . . . 0.49 ' O ' ' HB2' ' D' ' 534' ' ' GLU . . . -61.68 -43.61 98.53 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.174 -0.676 . . . . 10.0 109.174 178.325 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -69.71 -40.07 76.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.705 -0.679 . . . . 10.0 109.968 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -62.1 -51.55 67.45 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.821 -0.627 . . . . 10.0 109.915 178.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 533' ' ' LEU . . . . . 0.633 HD23 HD12 ' D' ' 536' ' ' LEU . 75.0 mt -64.87 -33.02 75.02 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.41 178.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 534' ' ' GLU . . . . . 0.748 ' HA ' ' HE3' ' D' ' 537' ' ' LYS . 19.5 tt0 -62.49 -44.4 96.47 Favored 'General case' 0 CA--C 1.518 -0.26 0 N-CA-C 108.911 -0.774 . . . . 10.0 108.911 178.565 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -66.49 -37.91 86.13 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 108.851 -0.796 . . . . 10.0 108.851 178.128 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 536' ' ' LEU . . . . . 0.633 HD12 HD23 ' D' ' 533' ' ' LEU . 87.6 mt -67.14 -26.24 66.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.879 178.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 537' ' ' LYS . . . . . 0.748 ' HE3' ' HA ' ' D' ' 534' ' ' GLU . 44.1 mtmt -83.01 -33.94 26.4 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.082 -0.71 . . . . 10.0 109.082 178.457 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -72.16 -57.66 4.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.389 -0.823 . . . . 10.0 109.864 179.067 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 13.8 m-20 -68.59 -33.34 73.88 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.454 -0.573 . . . . 10.0 109.454 179.335 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -65.53 -39.79 95.78 Favored Glycine 0 N--CA 1.445 -0.73 0 N-CA-C 110.52 -1.032 . . . . 10.0 110.52 178.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -64.44 -39.17 96.67 Favored Glycine 0 N--CA 1.447 -0.576 0 N-CA-C 109.889 -1.284 . . . . 10.0 109.889 178.413 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -66.31 -44.59 83.01 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.92 -0.77 . . . . 10.0 108.92 178.134 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 60.7 mtt85 -60.53 -40.54 91.89 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-N 115.7 -0.682 . . . . 10.0 109.98 178.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 13.8 mt -61.67 -48.44 80.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 10.0 110.141 178.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -62.71 -41.82 99.34 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.714 -0.676 . . . . 10.0 110.099 179.512 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -65.82 -41.13 92.2 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.821 -0.627 . . . . 10.0 109.967 178.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 547' ' ' TYR . . . . . 0.562 ' HE1' ' HZ ' ' A' ' 228' ' ' PHE . 0.5 OUTLIER -65.02 -34.52 78.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.124 -0.489 . . . . 10.0 109.903 179.084 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 9.2 m80 -69.91 -43.01 72.57 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.221 -0.659 . . . . 10.0 109.221 178.472 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -66.25 -51.3 58.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.783 -0.644 . . . . 10.0 110.287 179.49 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 550' ' ' LYS . . . . . 0.518 ' HD3' HG22 ' A' ' 224' ' ' VAL . 0.1 OUTLIER -65.14 -27.09 68.49 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.054 -0.521 . . . . 10.0 111.63 -179.774 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -66.85 -39.61 87.65 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.079 -0.711 . . . . 10.0 109.079 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 14.9 m -66.54 -44.88 81.2 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.72 -0.844 . . . . 10.0 108.72 178.44 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -61.61 -49.64 75.79 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 115.693 -0.685 . . . . 10.0 109.862 178.382 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 79.7 t60 -59.13 -40.36 85.23 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.142 179.426 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 12.4 tp -64.66 -45.25 87.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.013 -0.54 . . . . 10.0 111.093 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 5.0 p -60.0 -44.25 94.67 Favored 'General case' 0 CA--C 1.529 0.155 0 N-CA-C 111.898 0.333 . . . . 10.0 111.898 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -68.65 -29.96 68.55 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.934 0.397 . . . . 10.0 110.834 179.371 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 22.0 mt -66.59 -50.57 62.61 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 115.973 -0.558 . . . . 10.0 109.645 178.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 1.8 p -67.43 -34.67 77.7 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.616 -0.513 . . . . 10.0 109.616 178.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -58.52 -27.51 64.58 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.436 -0.802 . . . . 10.0 110.45 178.596 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.35 -41.56 6.99 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.519 179.082 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -56.02 -48.72 75.43 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.577 0.584 . . . . 10.0 112.577 -179.429 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 563' ' ' LYS . . . . . 0.421 ' HB2' ' HD3' ' D' ' 564' ' ' PRO . 93.4 mttt -54.16 -60.85 6.47 Favored Pre-proline 0 CA--C 1.535 0.377 0 N-CA-C 112.715 0.635 . . . . 10.0 112.715 -179.241 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 564' ' ' PRO . . . . . 0.421 ' HD3' ' HB2' ' D' ' 563' ' ' LYS . 52.6 Cg_endo -68.46 -34.97 18.97 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 121.64 1.56 . . . . 10.0 112.853 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -65.79 -47.02 76.54 Favored 'General case' 0 CA--C 1.516 -0.364 0 C-N-CA 121.208 -0.197 . . . . 10.0 111.224 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 43.2 mt -58.96 -46.74 87.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.485 -0.325 . . . . 10.0 110.253 179.442 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -65.15 -42.69 93.52 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.481 -0.327 . . . . 10.0 111.189 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.81 -42.47 94.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.411 -0.358 . . . . 10.0 110.41 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 77.5 mt -66.28 -41.64 89.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.004 178.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 570' ' ' ARG . . . . . 0.437 ' O ' ' HG ' ' D' ' 574' ' ' LEU . 66.0 mtt180 -62.43 -52.71 62.49 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.621 179.204 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -66.86 -23.43 66.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.959 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -82.23 -34.02 24.54 Favored Glycine 0 N--CA 1.444 -0.832 0 N-CA-C 111.054 -0.818 . . . . 10.0 111.054 178.694 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 573' ' ' LEU . . . . . 0.472 ' HA ' ' HB ' ' D' ' 576' ' ' VAL . 20.5 mt -71.77 -25.15 61.91 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 122.072 0.149 . . . . 10.0 111.348 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 574' ' ' LEU . . . . . 0.444 ' HB2' ' HD3' ' D' ' 575' ' ' PRO . 95.4 mt -53.92 -60.47 7.24 Favored Pre-proline 0 CA--C 1.542 0.65 0 O-C-N 123.106 0.254 . . . . 10.0 111.68 179.614 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 575' ' ' PRO . . . . . 0.444 ' HD3' ' HB2' ' D' ' 574' ' ' LEU . 40.9 Cg_endo -69.51 -28.44 26.47 Favored 'Trans proline' 0 C--N 1.357 0.998 0 C-N-CA 121.754 1.636 . . . . 10.0 111.11 178.41 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 576' ' ' VAL . . . . . 0.472 ' HB ' ' HA ' ' D' ' 573' ' ' LEU . 22.4 t -64.08 -50.09 78.56 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.127 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.329 179.238 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 89.3 mt -61.66 -36.06 79.74 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 110.102 -0.333 . . . . 10.0 110.102 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 578' ' ' GLU . . . . . 0.411 ' O ' HG23 ' D' ' 582' ' ' VAL . 54.0 mm-40 -66.01 -47.4 74.58 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 109.553 -0.536 . . . . 10.0 109.553 178.608 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 44.5 m -61.37 -41.1 96.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.791 -0.64 . . . . 10.0 109.98 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -66.04 -35.35 80.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.155 178.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -60.74 -47.42 86.37 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 108.753 -0.832 . . . . 10.0 108.753 178.378 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 582' ' ' VAL . . . . . 0.411 HG23 ' O ' ' D' ' 578' ' ' GLU . 61.6 t -61.48 -44.25 98.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.357 -0.838 . . . . 10.0 110.313 179.235 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 69.9 m -60.03 -50.68 72.75 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.363 -0.38 . . . . 10.0 110.575 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -61.72 -46.15 90.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.985 -0.552 . . . . 10.0 111.613 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 62.7 mt -57.82 -50.68 72.48 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.745 0.307 . . . . 10.0 111.244 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 4.7 m -66.62 -28.55 68.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.001 0.429 . . . . 10.0 111.387 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 587' ' ' ALA . . . . . 0.648 ' HB2' ' HG2' ' A' ' 396' ' ' LYS . . . -75.26 -57.99 3.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.737 179.537 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 588' ' ' LEU . . . . . 0.604 HD22 ' H50' ' D' ' 630' ' ' 17F . 84.2 mt -57.38 -41.37 80.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.471 . . . . 10.0 111.952 -179.165 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -59.06 -52.46 65.67 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.193 -0.458 . . . . 10.0 110.889 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -68.67 -35.79 77.7 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.128 0.418 . . . . 10.0 112.128 -179.525 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 9.2 m-30 -60.33 -42.59 95.97 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.86 0.362 . . . . 10.0 110.195 179.123 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 29.4 m -66.09 -31.92 73.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.498 -0.774 . . . . 10.0 110.739 179.619 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -79.3 -32.88 43.62 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.328 -0.396 . . . . 10.0 111.001 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 594' ' ' LYS . . . . . 0.821 ' HE2' ' HB2' ' A' ' 388' ' ' SER . 8.8 mptt -73.19 -43.69 60.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.07 0.462 . . . . 10.0 110.273 179.255 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 82.4 mt -98.17 41.51 1.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.421 0.629 . . . . 10.0 109.821 179.473 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 . . . . . 0 C--N 1.323 -0.578 0 CA-C-N 115.726 -0.67 . . . . 10.0 111.456 -179.131 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 C--O 1.235 0.308 0 CA-C-O 120.932 0.396 . . . . 10.0 111.113 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' THR . . . . . 0.539 ' HB ' ' CE2' ' B' ' 4' ' ' TYR . 0.2 OUTLIER -86.16 128.85 34.96 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.919 -179.681 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -91.45 133.94 35.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.513 -0.312 . . . . 10.0 110.658 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' TYR . . . . . 0.539 ' CE2' ' HB ' ' B' ' 2' ' ' THR . 97.4 m-85 -126.74 111.37 14.17 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.748 -0.464 . . . . 10.0 109.748 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.714 ' HA ' ' HB3' ' B' ' 54' ' ' ASP . 36.9 mttm -78.89 117.63 20.16 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 120.936 0.398 . . . . 10.0 111.119 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.473 HD22 ' HG ' ' B' ' 159' ' ' LEU . 12.6 mt -117.26 123.55 46.86 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.642 -0.708 . . . . 10.0 110.685 -179.093 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 7' ' ' VAL . . . . . 0.567 HG12 HG22 ' B' ' 9' ' ' VAL . 21.3 t -104.07 120.06 53.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 120.915 0.388 . . . . 10.0 111.335 179.638 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.583 HG12 ' HD2' ' B' ' 16' ' ' LYS . 42.7 t -98.24 105.9 17.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.317 -0.623 . . . . 10.0 109.317 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.567 HG22 HG12 ' B' ' 7' ' ' VAL . 0.0 OUTLIER -125.84 169.28 17.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.141 0.496 . . . . 10.0 112.104 -178.488 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 146.65 177.84 21.57 Favored Glycine 0 N--CA 1.444 -0.823 0 CA-C-N 115.057 -0.974 . . . . 10.0 111.03 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.11 159.88 30.08 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.815 0.341 . . . . 10.0 110.931 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.29 139.28 42.39 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.883 0.373 . . . . 10.0 111.376 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 98.34 4.07 57.45 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 121.009 -0.615 . . . . 10.0 113.229 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 34.6 m -85.14 -23.37 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 122.445 -0.444 . . . . 10.0 111.865 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 101.01 48.77 1.42 Allowed Glycine 0 C--O 1.223 -0.58 0 C-N-CA 120.654 -0.784 . . . . 10.0 113.031 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.583 ' HD2' HG12 ' B' ' 8' ' ' VAL . 1.9 mtmp? -83.31 -41.39 18.31 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.293 0.568 . . . . 10.0 109.951 179.749 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 17' ' ' SER . . . . . 0.42 ' OG ' ' O3G' ' B' ' 201' ' ' GSP . 0.8 OUTLIER -70.57 -39.64 73.78 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.746 -0.661 . . . . 10.0 109.425 179.588 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.95 -53.93 52.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.913 -0.585 . . . . 10.0 109.856 179.229 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 8.6 mt -52.82 -49.66 65.25 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.094 -0.503 . . . . 10.0 111.841 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 6.8 m -62.99 -47.44 83.13 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.056 -0.52 . . . . 10.0 111.438 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 86.0 mt -63.82 -36.34 76.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.386 -0.37 . . . . 10.0 111.592 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' GLN . . . . . 0.57 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 5.8 mm-40 -63.88 -26.64 68.7 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.566 -0.288 . . . . 10.0 111.382 179.668 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 4.4 tp -94.55 -37.43 11.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.867 0.365 . . . . 10.0 111.155 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.47 HD13 ' HD3' ' B' ' 42' ' ' LYS . 47.8 mm -77.85 -51.79 17.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 112.299 0.481 . . . . 10.0 112.299 -179.247 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -97.89 -8.17 28.76 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.056 0.391 . . . . 10.0 112.056 -178.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' ASN . . . . . 0.57 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 55.3 m-80 70.86 10.44 6.99 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 113.785 1.031 . . . . 10.0 113.785 178.577 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -130.03 168.55 16.55 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.578 0.585 . . . . 10.0 112.578 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -103.88 140.24 37.96 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.514 -179.489 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -92.89 123.64 45.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 109.867 -0.42 . . . . 10.0 109.867 179.122 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.05 8.8 27.89 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.091 0.472 . . . . 10.0 111.374 -178.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -128.0 162.57 26.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.35 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' TYR . . . . . 0.792 ' HE1' H5'2 ' B' ' 201' ' ' GSP . 26.5 t80 -102.36 119.94 39.65 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.861 -0.422 . . . . 10.0 109.861 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -120.52 102.07 45.55 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 116.233 -0.439 . . . . 10.0 110.626 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -55.23 118.1 4.79 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.952 2.434 . . . . 10.0 111.16 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.428 ' OG1' ' O3G' ' B' ' 201' ' ' GSP . 0.2 OUTLIER -104.01 117.93 35.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.568 -0.287 . . . . 10.0 111.41 -178.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 33.9 mm -72.43 -57.0 8.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 108.672 -0.862 . . . . 10.0 108.672 178.567 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -168.12 102.15 0.45 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.462 -0.79 . . . . 10.0 109.791 178.429 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -107.9 171.87 7.16 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.371 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 19.1 m -147.6 131.02 16.66 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.762 0.315 . . . . 10.0 110.474 -179.515 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -134.52 143.2 47.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.347 -0.388 . . . . 10.0 110.241 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.444 ' HD2' ' OD1' ' B' ' 54' ' ' ASP . 0.7 OUTLIER -116.15 126.2 53.35 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.98 0.419 . . . . 10.0 110.914 -179.907 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 42' ' ' LYS . . . . . 0.47 ' HD3' HD13 ' B' ' 24' ' ' ILE . 46.2 tptt -124.62 128.86 49.52 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.068 -0.515 . . . . 10.0 110.035 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -106.61 100.37 9.89 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.888 0.375 . . . . 10.0 110.123 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' VAL . . . . . 0.456 HG23 HG13 ' B' ' 46' ' ' ILE . 3.5 m -124.59 158.3 31.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.158 -0.474 . . . . 10.0 111.007 -179.45 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 3.0 m -94.76 61.37 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.046 0.45 . . . . 10.0 111.917 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' ILE . . . . . 0.456 HG13 HG23 ' B' ' 44' ' ' VAL . 69.3 mt -67.15 125.89 25.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.856 0.36 . . . . 10.0 111.016 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 47' ' ' ASP . . . . . 0.696 ' HA ' ' HB2' ' C' ' 128' ' ' LYS . 64.6 m-20 66.13 16.77 10.57 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.509 -0.769 . . . . 10.0 112.141 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.85 -12.7 68.28 Favored Glycine 0 C--O 1.229 -0.207 0 C-N-CA 120.996 -0.621 . . . . 10.0 113.04 179.208 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -103.11 132.79 49.11 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 122.67 -0.312 . . . . 10.0 110.653 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 1.1 m -69.12 116.45 9.57 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.99 -0.745 . . . . 10.0 108.99 178.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' CYS . . . . . 0.427 ' HB3' ' CE2' ' B' ' 4' ' ' TYR . 0.1 OUTLIER -123.88 146.28 48.53 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.201 0.524 . . . . 10.0 112.047 -178.914 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 25.2 tp -103.31 109.12 20.62 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.425 -0.807 . . . . 10.0 108.984 178.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' B' ' 41' ' ' ARG . 17.2 mt -82.39 121.95 27.37 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.926 -0.579 . . . . 10.0 111.392 -178.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 54' ' ' ASP . . . . . 0.714 ' HB3' ' HA ' ' B' ' 5' ' ' LYS . 6.0 t70 -102.07 83.48 2.36 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.86 -1.163 . . . . 10.0 107.86 178.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 15.7 mt -85.62 139.41 17.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 112.829 0.678 . . . . 10.0 112.829 -177.46 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 4.6 tp -131.23 118.85 20.99 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 116.024 -0.534 . . . . 10.0 111.048 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -102.75 90.92 3.96 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 120.922 0.391 . . . . 10.0 110.22 178.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' THR . . . . . 0.554 HG21 ' CE1' ' B' ' 71' ' ' TYR . 0.2 OUTLIER -87.01 164.25 16.59 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.965 -0.561 . . . . 10.0 111.121 179.819 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.51 137.85 42.75 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.189 0.518 . . . . 10.0 111.848 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -111.57 48.69 0.91 Allowed Glycine 0 N--CA 1.447 -0.575 0 N-CA-C 110.77 -0.932 . . . . 10.0 110.77 179.14 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -107.29 15.29 25.18 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.749 0.309 . . . . 10.0 111.434 -179.124 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 63.48 -173.6 0.16 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.593 -0.73 . . . . 10.0 111.937 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 68.18 3.66 3.76 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 116.044 -0.526 . . . . 10.0 112.189 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -100.6 39.57 1.36 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.418 -0.355 . . . . 10.0 110.562 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 1.5 m -61.29 -34.34 75.05 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.584 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.44 -35.55 30.47 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.993 0.425 . . . . 10.0 110.945 179.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 67' ' ' MET . . . . . 0.599 ' HG2' ' HE1' ' B' ' 71' ' ' TYR . 28.2 ttt -74.0 -40.16 63.13 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.277 -0.419 . . . . 10.0 111.983 -179.124 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 68' ' ' ARG . . . . . 0.637 ' HA ' ' CZ ' ' B' ' 71' ' ' TYR . 1.9 ttp180 -54.67 -40.68 69.34 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.277 0.473 . . . . 10.0 112.277 -179.254 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.21 -25.24 65.46 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.131 -0.486 . . . . 10.0 112.259 -178.611 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -69.33 -64.71 0.82 Allowed 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.202 -0.454 . . . . 10.0 111.638 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 71' ' ' TYR . . . . . 0.637 ' CZ ' ' HA ' ' B' ' 68' ' ' ARG . 13.4 p90 -70.98 -21.3 62.33 Favored 'General case' 0 CA--C 1.529 0.157 0 N-CA-C 112.968 0.729 . . . . 10.0 112.968 -178.437 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 72' ' ' MET . . . . . 0.489 ' SD ' ' HG2' ' B' ' 99' ' ' GLN . 30.6 mtt -67.95 -25.61 65.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.25 0.548 . . . . 10.0 111.289 179.254 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -85.94 -36.64 19.73 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.663 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 1.4 m -78.67 -41.25 31.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 10.0 111.955 -179.301 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -66.0 137.81 36.47 Favored Glycine 0 C--O 1.236 0.265 0 C-N-CA 120.924 -0.655 . . . . 10.0 113.156 -178.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -96.73 -47.37 5.91 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.811 0.339 . . . . 10.0 110.212 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -106.16 129.5 9.78 Favored Glycine 0 N--CA 1.445 -0.719 0 N-CA-C 111.146 -0.781 . . . . 10.0 111.146 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 78' ' ' PHE . . . . . 0.554 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 84.5 m-85 -111.04 126.26 54.61 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.141 0.496 . . . . 10.0 111.587 -179.062 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.817 HD13 HD22 ' B' ' 159' ' ' LEU . 12.1 tp -98.74 114.07 26.43 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.68 -0.691 . . . . 10.0 110.184 179.657 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 80' ' ' CYS . . . . . 0.511 ' HB3' HD12 ' B' ' 93' ' ' ILE . 1.9 m -88.85 90.79 8.56 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.728 -0.669 . . . . 10.0 109.572 179.777 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 4.1 t -91.42 132.63 35.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.573 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 82' ' ' PHE . . . . . 0.493 ' HB3' HD11 ' B' ' 93' ' ' ILE . 21.1 p90 -146.29 157.0 43.76 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 116.141 -0.482 . . . . 10.0 110.403 178.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.551 ' HB3' ' HB3' ' B' ' 86' ' ' ASN . . . -96.0 132.38 41.4 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 109.433 -0.58 . . . . 10.0 109.433 179.105 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 17.4 pt -72.65 1.78 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.047 0.451 . . . . 10.0 111.635 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 33.9 p-10 -125.78 17.99 7.99 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.219 179.149 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.551 ' HB3' ' HB3' ' B' ' 83' ' ' ALA . 39.0 t-20 -137.53 112.26 8.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.932 -0.576 . . . . 10.0 109.713 179.519 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.11 -37.98 87.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.945 -0.571 . . . . 10.0 112.525 -179.005 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -56.29 -45.51 80.18 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.641 -0.254 . . . . 10.0 110.725 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 1.4 m -65.67 -36.97 85.17 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.88 0.326 . . . . 10.0 111.88 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 90' ' ' PHE . . . . . 0.464 ' CZ ' HD22 ' B' ' 133' ' ' LEU . 83.8 t80 -67.46 -45.16 76.76 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.788 0.328 . . . . 10.0 111.451 -179.523 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -75.61 -28.09 58.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.215 -0.448 . . . . 10.0 111.598 -179.265 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.12 -23.02 67.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.667 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 93' ' ' ILE . . . . . 0.511 HD12 ' HB3' ' B' ' 80' ' ' CYS . 45.4 mm -57.65 -42.05 80.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.092 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 58.2 t60 -63.86 -47.59 80.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.725 -0.671 . . . . 10.0 110.549 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -60.83 -43.22 98.55 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.123 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 96' ' ' TYR . . . . . 0.492 ' O ' HG13 ' B' ' 100' ' ' ILE . 7.7 m-85 -64.87 -47.34 78.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.848 -0.615 . . . . 10.0 110.08 178.681 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -55.76 -45.1 78.16 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.817 -0.629 . . . . 10.0 111.799 -179.165 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -64.56 -35.75 81.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.493 -0.321 . . . . 10.0 111.765 -179.448 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 99' ' ' GLN . . . . . 0.489 ' HG2' ' SD ' ' B' ' 72' ' ' MET . 60.4 tt0 -71.21 -42.4 69.0 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.939 -0.304 . . . . 10.0 111.304 179.603 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 100' ' ' ILE . . . . . 0.492 HG13 ' O ' ' B' ' 96' ' ' TYR . 61.5 mt -56.76 -48.91 80.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-O 120.899 0.381 . . . . 10.0 110.731 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 101' ' ' LYS . . . . . 0.493 ' HE3' ' HB2' ' B' ' 101' ' ' LYS . 34.3 mtmt -64.47 -27.09 68.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.924 -0.58 . . . . 10.0 111.251 -179.594 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 -77.45 -39.47 46.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.666 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 103' ' ' VAL . . . . . 0.437 HG23 ' O ' ' B' ' 99' ' ' GLN . 79.3 t -72.86 -45.6 55.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.952 -0.567 . . . . 10.0 111.437 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -84.82 -10.77 56.84 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 111.697 0.258 . . . . 10.0 111.697 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 17.6 t70 53.4 59.42 4.39 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 121.422 0.63 . . . . 10.0 112.228 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 18.1 t -164.67 146.6 8.3 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.487 -0.779 . . . . 10.0 109.956 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -85.96 -19.78 29.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.098 0.475 . . . . 10.0 110.011 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -95.09 106.85 18.88 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.813 -0.631 . . . . 10.0 110.714 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 0.479 HG11 HG21 ' B' ' 100' ' ' ILE . 52.1 t -136.27 127.82 17.04 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.24 -179.55 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 110' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 17.4 Cg_exo -68.45 101.65 0.76 Allowed 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.841 2.361 . . . . 10.0 110.798 179.101 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 111' ' ' MET . . . . . 0.554 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 55.0 mtm -128.21 152.94 47.47 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.685 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 112' ' ' VAL . . . . . 0.407 HG22 ' HG2' ' B' ' 140' ' ' PRO . 39.0 t -136.62 126.31 38.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.108 -0.496 . . . . 10.0 109.77 179.309 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 113' ' ' LEU . . . . . 0.48 HD12 ' HB2' ' B' ' 80' ' ' CYS . 15.8 tp -85.81 119.46 26.16 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 110.033 -0.358 . . . . 10.0 110.033 -179.691 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 84.9 t -115.34 116.13 51.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 112.406 0.521 . . . . 10.0 112.406 -178.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -102.62 104.59 2.61 Favored Glycine 0 N--CA 1.447 -0.601 0 N-CA-C 110.253 -1.139 . . . . 10.0 110.253 178.359 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -92.94 167.23 11.95 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.379 0.133 . . . . 10.0 110.971 -178.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 117' ' ' LYS . . . . . 0.515 ' HB3' HD12 ' B' ' 120' ' ' LEU . 82.5 mttt 65.91 33.96 7.53 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 123.166 0.586 . . . . 10.0 112.224 179.391 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 86.5 m -71.78 -9.63 58.58 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 112.307 0.484 . . . . 10.0 112.307 -179.423 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -91.2 4.04 53.27 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.012 0.434 . . . . 10.0 110.613 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 120' ' ' LEU . . . . . 0.515 HD12 ' HB3' ' B' ' 117' ' ' LYS . 31.4 mt -91.49 136.97 26.15 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.11 -0.495 . . . . 10.0 110.232 179.191 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -77.24 158.11 33.47 Favored 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 122.488 2.126 . . . . 10.0 111.416 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 1.1 m 62.67 69.73 0.59 Allowed 'General case' 0 C--O 1.232 0.177 0 CA-C-O 121.475 0.655 . . . . 10.0 111.288 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -88.06 150.52 23.34 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.709 -0.678 . . . . 10.0 111.168 -179.245 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 25.3 m -81.97 -61.41 1.92 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.672 179.334 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 125' ' ' VAL . . . . . 0.75 HG13 ' HG3' ' B' ' 129' ' ' GLN . 32.3 t -92.9 123.45 45.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.075 0.464 . . . . 10.0 110.656 179.541 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.4 153.16 33.94 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.627 -0.715 . . . . 10.0 109.405 179.129 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 2.3 m -54.35 -41.38 69.03 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.183 0.438 . . . . 10.0 112.183 -179.083 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 128' ' ' LYS . . . . . 0.631 ' HB2' ' HA ' ' C' ' 47' ' ' ASP . 12.4 pttt -55.5 -52.47 63.55 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.477 0.547 . . . . 10.0 112.477 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 129' ' ' GLN . . . . . 0.75 ' HG3' HG13 ' B' ' 125' ' ' VAL . 4.2 pt20 -70.74 -27.7 64.15 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.994 -0.282 . . . . 10.0 111.67 -179.532 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.89 -44.45 76.97 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 121.488 0.661 . . . . 10.0 109.596 179.06 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -70.9 -29.35 65.4 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.285 -0.87 . . . . 10.0 109.624 178.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -66.56 -33.84 76.57 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.341 -0.845 . . . . 10.0 109.827 178.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 133' ' ' LEU . . . . . 0.464 HD22 ' CZ ' ' B' ' 90' ' ' PHE . 12.4 tp -78.02 -36.94 48.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.605 -0.725 . . . . 10.0 110.6 179.446 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.96 -27.91 69.72 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 121.171 0.51 . . . . 10.0 111.108 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 135' ' ' ARG . . . . . 0.617 HH21 ' HG2' ' C' ' 161' ' ' ARG . 36.7 ttm180 -66.06 -40.44 90.92 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.658 -0.701 . . . . 10.0 111.029 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.65 -30.79 71.81 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.071 -0.513 . . . . 10.0 111.316 -179.698 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 137' ' ' TYR . . . . . 0.441 ' HB2' HG12 ' B' ' 139' ' ' ILE . 21.1 m-85 -86.39 -30.87 21.81 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.432 179.673 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 85.07 33.79 16.81 Favored Glycine 0 N--CA 1.445 -0.711 0 N-CA-C 110.238 -1.145 . . . . 10.0 110.238 -178.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 139' ' ' ILE . . . . . 0.48 HG21 ' HB2' ' B' ' 111' ' ' MET . 37.5 pt -121.14 157.4 55.59 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 115.268 -0.466 . . . . 10.0 110.758 -178.77 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 140' ' ' PRO . . . . . 0.407 ' HG2' HG22 ' B' ' 112' ' ' VAL . 92.7 Cg_endo -82.89 141.49 10.71 Favored 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 122.819 2.346 . . . . 10.0 112.579 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -125.01 137.62 54.24 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.46 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 46.7 mt -143.11 132.49 21.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.507 -0.553 . . . . 10.0 109.507 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -73.69 134.36 43.55 Favored 'General case' 0 CA--C 1.522 -0.132 0 N-CA-C 108.709 -0.848 . . . . 10.0 108.709 178.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 144' ' ' THR . . . . . 0.712 HG22 ' HA3' ' B' ' 151' ' ' GLY . 34.5 p -136.66 165.79 25.07 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 113.787 1.032 . . . . 10.0 113.787 -177.487 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 30.2 t -156.01 101.19 2.08 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 107.45 -1.315 . . . . 10.0 107.45 178.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -65.37 -36.98 85.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.503 -0.317 . . . . 10.0 111.388 -178.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -56.67 -42.47 79.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.002 0.43 . . . . 10.0 110.273 178.409 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 1.6 m -88.24 -7.16 57.22 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.239 0.543 . . . . 10.0 110.3 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 2.9 ttt-85 59.21 42.8 17.99 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.489 -0.778 . . . . 10.0 111.575 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -122.21 113.22 19.16 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.066 -0.516 . . . . 10.0 111.334 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 151' ' ' GLY . . . . . 0.712 ' HA3' HG22 ' B' ' 144' ' ' THR . . . 110.14 -15.43 30.64 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 121.009 -0.615 . . . . 10.0 112.756 179.312 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 152' ' ' VAL . . . . . 0.424 HG23 ' H ' ' B' ' 152' ' ' VAL . 3.0 t -54.0 -52.94 31.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-O 120.932 0.396 . . . . 10.0 111.93 -179.196 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -62.23 -49.22 76.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.943 -0.571 . . . . 10.0 111.571 -179.018 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -54.7 -47.62 73.47 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.993 -0.548 . . . . 10.0 112.313 -178.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.23 -46.95 88.3 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.251 -0.432 . . . . 10.0 111.551 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -62.76 -43.58 98.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.478 -0.328 . . . . 10.0 111.88 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 17.1 m-30 -62.21 -48.11 81.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.207 -0.451 . . . . 10.0 110.981 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 11.4 m -63.37 -37.89 89.04 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.945 -0.571 . . . . 10.0 112.448 -179.198 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 159' ' ' LEU . . . . . 0.817 HD22 HD13 ' B' ' 79' ' ' LEU . 44.7 tp -57.87 -48.94 78.37 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.877 0.37 . . . . 10.0 111.089 179.643 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 96.6 t -69.44 -38.24 76.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.147 0.498 . . . . 10.0 110.554 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 161' ' ' ARG . . . . . 0.498 ' CZ ' ' HB3' ' C' ' 131' ' ' GLN . 16.4 ttp180 -63.83 -36.89 85.38 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.755 -0.657 . . . . 10.0 111.179 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -64.85 -33.66 76.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.849 0.356 . . . . 10.0 110.632 179.117 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 72.8 mt -66.63 -43.45 90.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 108.46 -0.941 . . . . 10.0 108.46 178.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 77.9 mtt180 -62.48 -43.25 99.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.364 -0.834 . . . . 10.0 109.592 179.1 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 165' ' ' LYS . . . . . 0.638 ' HB2' ' HD3' ' C' ' 135' ' ' ARG . 13.1 ttmt -61.03 -45.49 94.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.826 -0.624 . . . . 10.0 109.845 178.731 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 22.9 t-80 -56.53 -52.65 63.98 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.732 -0.667 . . . . 10.0 111.068 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -63.53 -42.55 98.44 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.29 -0.414 . . . . 10.0 111.832 -178.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -63.0 -46.45 87.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.023 0.44 . . . . 10.0 110.504 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 8.9 mtpm? -69.54 -37.7 77.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.039 -0.528 . . . . 10.0 111.525 -179.462 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 75.3 mmm -66.64 -17.31 64.77 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 112.612 0.597 . . . . 10.0 112.612 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 51.9 m -76.48 -13.44 60.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.67 0.747 . . . . 10.0 109.988 178.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -111.3 -50.57 2.92 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.399 -0.819 . . . . 10.0 108.928 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 173' ' ' ASP . . . . . . . . . . . . . 30.9 t0 70.04 -66.99 0.25 Allowed 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.336 -0.847 . . . . 10.0 113.028 179.567 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . 103.78 -126.17 8.69 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 121.138 -0.553 . . . . 10.0 111.855 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 175' ' ' LYS . . . . . . . . . . . . . 86.3 mttt 61.54 32.29 18.74 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 122.866 0.466 . . . . 10.0 112.08 179.571 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 176' ' ' LYS . . . . . . . . . . . . . 40.0 mttp -143.25 51.63 1.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.006 0.431 . . . . 10.0 110.541 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 177' ' ' LYS . . . . . . . . . . . . . 32.0 mtmt -91.9 -20.87 20.97 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.336 179.567 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 178' ' ' LYS . . . . . 0.695 ' HA ' ' O2 ' ' B' ' 210' ' ' 17F . 5.8 ttmm 71.79 -115.7 0.07 Allowed 'General case' 0 C--O 1.234 0.26 0 O-C-N 123.97 0.794 . . . . 10.0 109.761 -179.466 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 179' ' ' LYS . . . . . . . . . . . . . 4.9 mptp? 57.96 -157.64 0.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.692 0.627 . . . . 10.0 112.692 178.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 180' ' ' LYS . . . . . 0.435 ' HB3' H342 ' C' ' 205' ' ' PCW . 13.2 pttp -158.91 157.05 30.67 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.025 -0.731 . . . . 10.0 109.025 -179.537 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 19.0 m -78.17 -8.28 58.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.185 0.516 . . . . 10.0 111.021 -179.482 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 182' ' ' LYS . . . . . 0.649 ' HB2' HN1A ' C' ' 214' ' ' 17F . 13.8 ptpt -118.27 132.22 56.31 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 116.097 -0.501 . . . . 10.0 110.458 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 183' ' ' THR . . . . . 0.551 ' H ' ' C3 ' ' C' ' 214' ' ' 17F . 0.2 OUTLIER -71.97 -77.74 0.09 Allowed 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.522 -0.547 . . . . 10.0 109.522 179.213 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 184' ' ' LYS . . . . . 0.529 ' N ' ' O5 ' ' C' ' 214' ' ' 17F . 4.5 tmtt? . . . . . 0 C--O 1.236 0.346 0 CA-C-N 115.218 -0.901 . . . . 10.0 109.702 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.934 0.397 . . . . 10.0 110.792 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -80.32 123.11 27.71 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.213 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -98.96 132.73 44.06 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.691 0.281 . . . . 10.0 110.647 -179.462 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -122.72 115.19 21.65 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.332 -0.395 . . . . 10.0 110.283 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 5' ' ' LYS . . . . . 0.428 ' HB2' ' HG3' ' C' ' 76' ' ' GLU . 59.9 mttm -90.05 100.34 13.18 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.108 0.48 . . . . 10.0 110.445 -179.683 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 6' ' ' LEU . . . . . 0.62 HD13 HD23 ' C' ' 159' ' ' LEU . 17.4 mt -103.47 136.65 42.82 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.55 -0.75 . . . . 10.0 111.144 -178.537 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 14.3 t -116.93 129.23 73.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.235 -0.438 . . . . 10.0 109.887 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.467 HG12 ' HD2' ' C' ' 16' ' ' LYS . 14.2 t -92.67 102.37 13.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.398 -0.593 . . . . 10.0 109.398 179.547 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 17.6 m -104.71 153.52 6.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.614 -178.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 153.7 -170.34 32.42 Favored Glycine 0 N--CA 1.445 -0.704 0 N-CA-C 111.389 -0.684 . . . . 10.0 111.389 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.91 -178.34 6.95 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.799 0.333 . . . . 10.0 110.483 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.37 141.28 33.44 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.272 0.558 . . . . 10.0 111.044 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 13' ' ' GLY . . . . . 0.516 ' HA2' ' HE1' ' C' ' 32' ' ' TYR . . . 88.52 5.34 75.32 Favored Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.704 -0.68 . . . . 10.0 112.375 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 14' ' ' VAL . . . . . 0.426 ' CG2' ' HG3' ' C' ' 16' ' ' LYS . 35.4 m -84.67 -21.46 8.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.696 0.284 . . . . 10.0 111.102 -179.357 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.05 27.69 5.55 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.528 -0.844 . . . . 10.0 113.773 178.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 16' ' ' LYS . . . . . 0.467 ' HD2' HG12 ' C' ' 8' ' ' VAL . 9.8 mtmt -65.35 -34.69 78.92 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.34 0.59 . . . . 10.0 110.462 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 17' ' ' SER . . . . . 0.467 ' HB2' ' O1A' ' C' ' 201' ' ' GSP . 2.1 m -74.77 -47.03 33.21 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.489 -0.778 . . . . 10.0 109.436 179.592 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.36 -46.58 69.62 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.866 -0.606 . . . . 10.0 111.156 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 74.2 mt -59.69 -46.77 88.06 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.262 -0.427 . . . . 10.0 111.386 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 16.9 m -66.44 -40.97 89.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.086 -0.507 . . . . 10.0 111.242 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.14 -35.23 70.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.884 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -68.86 -16.39 63.75 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.837 0.351 . . . . 10.0 111.279 179.272 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 12.8 tp -92.7 -36.34 12.99 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.147 0.498 . . . . 10.0 110.297 179.355 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 36.3 mm -90.29 -71.71 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.285 -0.416 . . . . 10.0 111.527 -179.437 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -72.65 -28.23 62.6 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.529 -0.305 . . . . 10.0 111.268 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 70.09 34.38 2.45 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.617 -0.72 . . . . 10.0 112.227 178.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -137.81 149.1 46.08 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.429 -0.351 . . . . 10.0 111.252 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -89.48 124.39 34.45 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.241 -0.436 . . . . 10.0 110.35 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 17.3 m -83.1 166.05 2.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.246 -0.434 . . . . 10.0 110.915 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -122.25 -46.6 2.17 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.133 -0.485 . . . . 10.0 111.109 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -85.63 139.93 31.0 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.916 -0.584 . . . . 10.0 111.363 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 32' ' ' TYR . . . . . 0.645 ' CD1' H5'2 ' C' ' 201' ' ' GSP . 35.1 t80 -72.03 129.51 38.7 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.66 -0.7 . . . . 10.0 111.106 -179.293 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 33' ' ' ASP . . . . . 0.403 ' O ' ' S1G' ' C' ' 201' ' ' GSP . 34.5 t70 -127.07 101.59 25.53 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.16 -0.473 . . . . 10.0 109.76 179.162 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_exo -53.85 122.52 11.52 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 123.17 2.58 . . . . 10.0 112.779 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 3.5 m -96.18 109.68 22.09 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.101 -0.5 . . . . 10.0 110.512 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 46.1 mm -81.19 -50.81 16.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.068 0.461 . . . . 10.0 109.784 179.269 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -172.66 94.95 0.13 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.119 -0.697 . . . . 10.0 109.119 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.43 139.19 52.49 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.679 0.276 . . . . 10.0 111.022 -179.313 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.44 139.94 50.63 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.209 -0.45 . . . . 10.0 111.161 -179.255 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -129.67 141.36 50.93 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.431 -0.581 . . . . 10.0 109.431 -179.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 41' ' ' ARG . . . . . 0.464 ' HA ' ' O ' ' C' ' 53' ' ' LEU . 1.2 mpp_? -120.41 145.78 46.85 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 121.237 -0.185 . . . . 10.0 111.237 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 38.0 tttp -157.73 138.12 12.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.625 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -98.9 123.57 43.25 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.294 -0.632 . . . . 10.0 109.294 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 4.6 m -127.65 -177.29 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 120.937 0.399 . . . . 10.0 111.845 -179.053 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 10.6 t -115.32 88.8 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.933 -0.576 . . . . 10.0 109.842 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 46' ' ' ILE . . . . . 0.525 HG13 HG11 ' C' ' 160' ' ' VAL . 24.9 mm -85.31 106.86 15.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.41 -0.359 . . . . 10.0 111.498 -178.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 47' ' ' ASP . . . . . 0.631 ' HA ' ' HB2' ' B' ' 128' ' ' LYS . 16.6 m-20 63.78 17.43 10.48 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 115.621 -0.718 . . . . 10.0 111.972 179.16 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.69 -13.54 38.69 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.36 -0.924 . . . . 10.0 112.734 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 49' ' ' GLU . . . . . 0.54 ' HB3' HH22 ' C' ' 164' ' ' ARG . 15.4 tt0 -98.04 145.38 26.58 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.916 0.388 . . . . 10.0 111.324 -179.763 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 5.5 m -74.37 123.73 25.17 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.805 -0.634 . . . . 10.0 109.594 178.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 10.9 m -138.54 144.07 39.75 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.116 0.484 . . . . 10.0 111.876 -179.402 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 46.4 tp -107.47 127.82 53.95 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.659 -0.701 . . . . 10.0 109.297 178.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 53' ' ' LEU . . . . . 0.464 ' O ' ' HA ' ' C' ' 41' ' ' ARG . 47.3 mt -102.22 119.83 39.46 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 112.642 0.608 . . . . 10.0 112.642 -178.803 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -102.51 88.77 3.34 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 107.248 -1.389 . . . . 10.0 107.248 177.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 55' ' ' ILE . . . . . 0.555 ' HA ' ' O ' ' C' ' 6' ' ' LEU . 54.6 mt -99.32 134.3 38.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.904 -0.589 . . . . 10.0 112.326 -177.519 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 6.8 tt -129.49 124.49 34.1 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.607 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -98.17 131.88 44.16 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.988 -0.375 . . . . 10.0 109.988 179.184 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 58' ' ' THR . . . . . 0.478 HG21 ' CE1' ' C' ' 71' ' ' TYR . 0.0 OUTLIER -112.65 172.56 6.85 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.418 -0.355 . . . . 10.0 110.873 179.668 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 59' ' ' ALA . . . . . 0.405 ' HB3' ' CE2' ' C' ' 64' ' ' TYR . . . -85.82 141.23 29.79 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.949 0.404 . . . . 10.0 110.979 -179.693 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -111.63 37.01 3.88 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.841 -0.695 . . . . 10.0 111.55 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -100.52 16.31 25.09 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.844 0.354 . . . . 10.0 111.21 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 62' ' ' GLU . . . . . 0.445 ' OE1' ' HA ' ' C' ' 62' ' ' GLU . 0.6 OUTLIER 63.1 -175.17 0.15 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.578 -0.737 . . . . 10.0 111.77 -179.458 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 70.98 23.79 4.17 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.39 0.614 . . . . 10.0 110.349 -179.369 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 64' ' ' TYR . . . . . 0.405 ' CE2' ' HB3' ' C' ' 59' ' ' ALA . 66.0 m-85 -124.33 26.97 7.19 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.464 -0.789 . . . . 10.0 110.508 -179.729 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.89 -27.58 66.83 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.776 -179.503 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -82.28 -49.98 9.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.903 0.382 . . . . 10.0 111.61 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 22.8 ttp -72.64 -9.24 58.37 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.985 -0.552 . . . . 10.0 112.267 -178.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -49.97 75.89 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.054 -0.521 . . . . 10.0 111.083 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.74 -34.72 67.81 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.787 -0.642 . . . . 10.0 112.141 -179.278 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -52.39 -56.2 16.58 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 112.739 0.644 . . . . 10.0 112.739 -179.167 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 71' ' ' TYR . . . . . 0.478 ' CE1' HG21 ' C' ' 58' ' ' THR . 42.5 p90 -86.82 -16.64 35.57 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.675 0.62 . . . . 10.0 112.675 -178.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 72' ' ' MET . . . . . 0.438 ' HA ' ' CZ ' ' C' ' 78' ' ' PHE . 39.8 mtt -77.69 -37.74 48.99 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.997 0.427 . . . . 10.0 111.515 179.636 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 73' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' C' ' 73' ' ' ARG . 39.4 ttm105 -71.86 -29.29 64.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.311 -0.404 . . . . 10.0 110.809 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -98.3 8.18 45.19 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.536 -179.286 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -95.3 131.07 10.54 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.522 -0.847 . . . . 10.0 112.499 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 76' ' ' GLU . . . . . 0.428 ' HG3' ' HB2' ' C' ' 5' ' ' LYS . 32.2 mt-10 -95.57 -36.86 11.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.174 0.511 . . . . 10.0 110.476 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -133.11 129.93 5.59 Favored Glycine 0 N--CA 1.45 -0.384 0 N-CA-C 110.592 -1.003 . . . . 10.0 110.592 179.495 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 78' ' ' PHE . . . . . 0.743 ' HB2' ' HG2' ' C' ' 111' ' ' MET . 95.8 m-85 -112.9 120.68 42.24 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 112.49 0.552 . . . . 10.0 112.49 -178.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 79' ' ' LEU . . . . . 0.477 ' HB2' HD22 ' C' ' 159' ' ' LEU . 25.0 tp -96.87 110.28 22.81 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.769 -0.65 . . . . 10.0 109.44 179.143 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 80' ' ' CYS . . . . . 0.736 ' HB3' HD12 ' C' ' 93' ' ' ILE . 28.7 m -88.03 103.82 16.07 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.707 -0.479 . . . . 10.0 109.707 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 81' ' ' VAL . . . . . 0.423 ' HB ' ' HG2' ' C' ' 16' ' ' LYS . 64.5 t -104.46 127.35 58.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.882 -0.599 . . . . 10.0 111.325 -179.043 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 27.5 p90 -132.65 165.83 23.56 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.964 -0.562 . . . . 10.0 109.516 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 83' ' ' ALA . . . . . 0.591 ' HB3' ' HB3' ' C' ' 86' ' ' ASN . . . -103.65 128.76 50.92 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 110.04 -0.356 . . . . 10.0 110.04 179.623 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 84' ' ' ILE . . . . . 0.72 HD12 ' HB3' ' C' ' 123' ' ' ARG . 2.3 pt -65.59 -20.02 26.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.052 0.453 . . . . 10.0 111.275 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 21.2 p-10 -98.36 12.28 35.39 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.921 -0.581 . . . . 10.0 111.022 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 86' ' ' ASN . . . . . 0.591 ' HB3' ' HB3' ' C' ' 83' ' ' ALA . 27.1 t-20 -143.88 97.07 3.0 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.826 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.42 -28.23 68.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.872 -0.604 . . . . 10.0 112.253 -179.389 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 88' ' ' LYS . . . . . 0.418 ' HB3' ' OD1' ' C' ' 86' ' ' ASN . 26.9 tptp -52.42 -52.09 55.71 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.251 -0.431 . . . . 10.0 111.103 179.602 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 35.7 p -63.46 -34.09 76.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.159 -0.473 . . . . 10.0 111.896 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -62.99 -41.64 99.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.774 0.321 . . . . 10.0 110.707 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -74.75 -34.15 62.46 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.736 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.35 -28.09 66.52 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.622 -0.717 . . . . 10.0 111.403 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 93' ' ' ILE . . . . . 0.736 HD12 ' HB3' ' C' ' 80' ' ' CYS . 47.5 mm -54.94 -44.79 74.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.957 -0.565 . . . . 10.0 111.462 179.773 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -59.47 -44.6 92.97 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.122 0.487 . . . . 10.0 110.592 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 84.7 m-70 -60.54 -38.96 86.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.745 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -74.7 -40.27 61.45 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.014 -0.539 . . . . 10.0 111.123 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 97' ' ' ARG . . . . . 0.587 ' HD3' ' OE1' ' C' ' 98' ' ' GLU . 9.7 ttt180 -58.22 -49.4 77.19 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.874 0.369 . . . . 10.0 110.731 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 98' ' ' GLU . . . . . 0.587 ' OE1' ' HD3' ' C' ' 97' ' ' ARG . 35.7 mm-40 -65.71 -33.56 76.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.56 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 99' ' ' GLN . . . . . 0.463 ' O ' HG23 ' C' ' 103' ' ' VAL . 3.9 mt-30 -66.04 -48.89 69.58 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.903 -0.589 . . . . 10.0 110.499 179.105 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 73.8 mt -55.59 -46.47 79.16 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.74 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 101' ' ' LYS . . . . . 0.462 ' HE3' ' HA ' ' C' ' 98' ' ' GLU . 14.5 mtmt -67.06 -27.14 67.14 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.893 -0.594 . . . . 10.0 111.307 -179.614 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 9.0 tmm_? -76.62 -36.37 57.48 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.961 0.41 . . . . 10.0 110.286 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 103' ' ' VAL . . . . . 0.463 HG23 ' O ' ' C' ' 99' ' ' GLN . 60.7 t -74.35 -44.06 48.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 10.0 111.04 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 30.5 mtpp -86.15 -10.2 55.23 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 111.964 0.357 . . . . 10.0 111.964 -178.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 3.7 t70 54.47 52.27 12.67 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.618 0.723 . . . . 10.0 111.499 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 57.2 m -158.15 138.55 12.65 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.58 -0.736 . . . . 10.0 109.619 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 36.8 tp10 -80.8 -32.12 35.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.174 0.511 . . . . 10.0 110.572 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.33 98.09 11.5 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.991 -0.549 . . . . 10.0 111.093 -179.754 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 109' ' ' VAL . . . . . 0.403 ' HA ' ' HD3' ' C' ' 110' ' ' PRO . 56.3 t -128.39 129.94 23.57 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 116.07 -0.514 . . . . 10.0 110.126 179.643 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 110' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' C' ' 109' ' ' VAL . 31.4 Cg_exo -60.31 111.17 0.93 Allowed 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.721 2.281 . . . . 10.0 111.124 179.126 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 111' ' ' MET . . . . . 0.743 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 63.8 mtm -143.39 153.68 42.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.426 -179.622 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 112' ' ' VAL . . . . . 0.424 HG12 HG23 ' C' ' 114' ' ' VAL . 74.7 t -136.69 135.97 48.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 109.334 -0.617 . . . . 10.0 109.334 179.296 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 113' ' ' LEU . . . . . 0.421 ' O ' ' HA ' ' C' ' 141' ' ' PHE . 22.2 tp -97.09 116.05 28.59 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 109.432 -0.581 . . . . 10.0 109.432 179.589 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 114' ' ' VAL . . . . . 0.424 HG23 HG12 ' C' ' 112' ' ' VAL . 41.2 t -123.27 127.46 74.43 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-O 120.967 0.413 . . . . 10.0 111.36 -178.669 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -96.94 131.8 10.75 Favored Glycine 0 N--CA 1.442 -0.932 0 N-CA-C 110.229 -1.148 . . . . 10.0 110.229 178.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -108.31 162.3 14.22 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.943 0.371 . . . . 10.0 110.889 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 117' ' ' LYS . . . . . 0.609 ' HE2' ' C4 ' ' C' ' 201' ' ' GSP . 90.8 mttt 62.75 27.53 16.13 Favored 'General case' 0 N--CA 1.46 0.071 0 O-C-N 123.737 0.648 . . . . 10.0 111.569 179.656 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 118' ' ' CYS . . . . . . . . . . . . . 71.2 m -65.16 -9.3 21.97 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 113.318 0.859 . . . . 10.0 113.318 -179.085 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 119' ' ' ASP . . . . . 0.473 ' CG ' ' HZ1' ' C' ' 147' ' ' LYS . 1.1 p-10 -95.02 2.61 55.33 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.737 0.304 . . . . 10.0 111.38 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 30.1 mt -84.67 136.06 39.83 Favored Pre-proline 0 C--N 1.327 -0.388 0 C-N-CA 121.006 -0.278 . . . . 10.0 110.634 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -67.01 144.13 68.66 Favored 'Trans proline' 0 C--O 1.235 0.342 0 C-N-CA 123.068 2.512 . . . . 10.0 112.381 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 7.1 m 66.42 88.2 0.11 Allowed 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.646 -0.706 . . . . 10.0 111.97 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 123' ' ' ARG . . . . . 0.72 ' HB3' HD12 ' C' ' 84' ' ' ILE . 8.2 ptp180 -97.67 143.86 27.9 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.969 -0.559 . . . . 10.0 111.182 179.632 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.71 -37.24 13.84 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.178 0.513 . . . . 10.0 110.172 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 59.2 t -89.89 126.19 42.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.569 -0.741 . . . . 10.0 109.53 179.101 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -80.45 143.3 33.51 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.371 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.23 -50.65 72.82 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.321 -0.399 . . . . 10.0 110.918 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 128' ' ' LYS . . . . . 0.696 ' HB2' ' HA ' ' B' ' 47' ' ' ASP . 0.0 OUTLIER -57.19 -40.24 77.0 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 113.072 0.767 . . . . 10.0 113.072 -179.381 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -68.7 -38.68 80.45 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 120.495 -0.482 . . . . 10.0 111.186 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -70.89 -36.9 72.94 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 121.024 0.44 . . . . 10.0 110.014 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 131' ' ' GLN . . . . . 0.498 ' HB3' ' CZ ' ' B' ' 161' ' ' ARG . 96.7 mt-30 -65.25 -46.28 81.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.718 -0.674 . . . . 10.0 110.597 179.404 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -65.54 -37.54 87.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 10.0 111.04 179.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 22.6 tp -60.45 -49.04 79.14 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.209 -0.45 . . . . 10.0 109.926 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.04 -38.92 93.1 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.009 179.473 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 135' ' ' ARG . . . . . 0.638 ' HD3' ' HB2' ' B' ' 165' ' ' LYS . 5.3 tmm_? -63.26 -42.55 99.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.595 -0.729 . . . . 10.0 110.134 179.266 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 7.4 t -61.28 -35.3 76.94 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.056 -0.52 . . . . 10.0 111.585 -179.201 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -86.67 -33.07 20.19 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.265 0.469 . . . . 10.0 112.265 -179.451 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 102.99 29.25 5.86 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.819 -0.705 . . . . 10.0 112.549 179.573 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 36.0 pt -120.09 148.46 46.99 Favored Pre-proline 0 C--N 1.32 -0.708 0 N-CA-C 110.084 -0.339 . . . . 10.0 110.084 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -70.82 141.58 41.23 Favored 'Trans proline' 0 C--O 1.234 0.302 0 C-N-CA 122.894 2.396 . . . . 10.0 111.595 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 141' ' ' PHE . . . . . 0.421 ' HA ' ' O ' ' C' ' 113' ' ' LEU . 69.4 t80 -116.92 127.41 54.21 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.369 -0.378 . . . . 10.0 110.336 179.616 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 142' ' ' ILE . . . . . 0.448 ' CD1' ' HA ' ' C' ' 155' ' ' ALA . 47.5 mt -129.63 133.82 64.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 116.278 -0.419 . . . . 10.0 111.396 -179.463 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.22 124.21 41.23 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 108.646 -0.872 . . . . 10.0 108.646 178.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 144' ' ' THR . . . . . 0.409 HG22 ' HA3' ' C' ' 151' ' ' GLY . 14.8 p -143.39 -177.39 5.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.707 0.765 . . . . 10.0 112.945 -178.183 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 145' ' ' SER . . . . . 0.426 ' HB3' ' OG1' ' C' ' 148' ' ' THR . 26.0 t -150.96 125.74 9.7 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.022 -1.103 . . . . 10.0 108.022 178.658 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 146' ' ' ALA . . . . . 0.605 ' HB3' ' N7 ' ' C' ' 201' ' ' GSP . . . -71.99 -20.89 61.65 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.15 0.5 . . . . 10.0 110.381 -179.57 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 147' ' ' LYS . . . . . 0.473 ' HZ1' ' CG ' ' C' ' 119' ' ' ASP . 5.6 ttpm? -73.83 -46.98 41.76 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.718 -0.674 . . . . 10.0 110.861 179.454 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 148' ' ' THR . . . . . 0.426 ' OG1' ' HB3' ' C' ' 145' ' ' SER . 7.9 p -81.8 -23.93 36.25 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.912 -0.315 . . . . 10.0 110.7 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 149' ' ' ARG . . . . . 0.44 ' O ' ' HG3' ' C' ' 149' ' ' ARG . 0.5 OUTLIER 69.32 7.32 6.17 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 123.648 0.779 . . . . 10.0 112.48 -179.903 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -80.46 126.41 31.17 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.966 -0.561 . . . . 10.0 111.002 -179.441 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 151' ' ' GLY . . . . . 0.409 ' HA3' HG22 ' C' ' 144' ' ' THR . . . 90.09 -15.23 60.06 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 121.081 -0.581 . . . . 10.0 112.853 179.441 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 92.4 t -57.11 -43.44 81.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-O 121.148 0.499 . . . . 10.0 111.402 -179.366 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -65.46 -45.42 83.82 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.296 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -63.62 -36.39 83.66 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.073 -0.512 . . . . 10.0 111.605 -179.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 155' ' ' ALA . . . . . 0.448 ' HA ' ' CD1' ' C' ' 142' ' ' ILE . . . -59.15 -53.37 59.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.308 179.519 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -64.91 -37.41 87.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.13 -0.487 . . . . 10.0 110.765 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -60.21 -45.71 92.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.027 0.442 . . . . 10.0 110.653 179.116 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 158' ' ' THR . . . . . 0.401 ' HA ' ' HE ' ' C' ' 161' ' ' ARG . 30.3 m -62.87 -37.77 88.22 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.543 179.495 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 159' ' ' LEU . . . . . 0.62 HD23 HD13 ' C' ' 6' ' ' LEU . 23.3 tp -59.4 -39.44 83.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.073 0.463 . . . . 10.0 110.015 179.14 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 160' ' ' VAL . . . . . 0.525 HG11 HG13 ' C' ' 46' ' ' ILE . 98.3 t -68.08 -40.84 83.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.858 179.301 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 161' ' ' ARG . . . . . 0.617 ' HG2' HH21 ' B' ' 135' ' ' ARG . 0.0 OUTLIER -64.33 -34.42 78.11 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.337 0.495 . . . . 10.0 112.337 -179.205 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -59.78 -37.38 78.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.869 0.366 . . . . 10.0 110.864 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 65.6 mt -66.32 -40.97 88.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 109.648 -0.501 . . . . 10.0 109.648 178.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 164' ' ' ARG . . . . . 0.612 HH12 ' HB2' ' C' ' 47' ' ' ASP . 98.9 mtt180 -65.18 -40.08 93.76 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.882 -0.599 . . . . 10.0 109.896 179.044 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -64.53 -48.37 75.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.467 -0.788 . . . . 10.0 110.09 179.466 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 166' ' ' HIS . . . . . 0.536 ' O ' ' HB2' ' C' ' 170' ' ' MET . 15.8 t-80 -57.8 -46.76 84.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.706 -0.679 . . . . 10.0 110.852 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -63.32 -45.79 89.69 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.243 0.46 . . . . 10.0 112.243 -179.422 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.18 -53.54 51.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.076 0.465 . . . . 10.0 111.092 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -63.51 -33.24 75.14 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.78 -0.645 . . . . 10.0 112.035 -179.009 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 170' ' ' MET . . . . . 0.536 ' HB2' ' O ' ' C' ' 166' ' ' HIS . 0.9 OUTLIER -74.15 -22.15 59.56 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.868 0.322 . . . . 10.0 111.868 179.898 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 48.1 m -71.32 -20.22 62.21 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.454 -0.572 . . . . 10.0 109.454 179.269 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 50.6 mttm -104.42 -2.12 25.84 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.613 -0.722 . . . . 10.0 110.023 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 173' ' ' ASP . . . . . . . . . . . . . 11.6 t70 73.29 -51.57 0.7 Allowed 'General case' 0 N--CA 1.465 0.305 0 O-C-N 124.237 0.961 . . . . 10.0 111.732 -179.03 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . -160.9 -86.53 0.06 OUTLIER Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 111.418 -0.673 . . . . 10.0 111.418 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 175' ' ' LYS . . . . . . . . . . . . . 50.0 mttt -140.09 -94.01 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 110.628 -0.138 . . . . 10.0 110.628 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 176' ' ' LYS . . . . . 0.434 ' HE2' ' HB3' ' C' ' 176' ' ' LYS . 4.7 mtpt 54.39 56.02 7.39 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.061 0.458 . . . . 10.0 111.782 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 177' ' ' LYS . . . . . 0.707 ' O ' ' H52' ' C' ' 212' ' ' PCW . 22.4 ttpt -135.54 -76.0 0.44 Allowed 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.653 -0.419 . . . . 10.0 111.832 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 178' ' ' LYS . . . . . 0.623 ' HG3' ' H1A' ' C' ' 215' ' ' 17F . 16.9 mmtm 65.5 179.14 0.2 Allowed 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.022 -0.536 . . . . 10.0 111.691 -178.781 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 179' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -156.39 141.47 17.29 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.956 -0.387 . . . . 10.0 109.956 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 180' ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -142.31 126.29 17.26 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.171 -0.468 . . . . 10.0 109.835 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 1.1 p -157.94 85.04 0.88 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.716 -0.675 . . . . 10.0 110.061 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 182' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -109.51 113.02 25.47 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.13 0.49 . . . . 10.0 112.007 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 183' ' ' THR . . . . . 0.578 HG22 ' H51' ' C' ' 210' ' ' PCW . 0.0 OUTLIER -87.18 160.62 18.44 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.506 -0.77 . . . . 10.0 110.25 179.616 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 184' ' ' LYS . . . . . 0.567 ' HB2' ' H41' ' C' ' 210' ' ' PCW . 51.5 mmtt . . . . . 0 C--O 1.233 0.228 0 C-N-CA 121.017 -0.273 . . . . 10.0 111.451 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 401' ' ' PCW . . . . . 0.852 H472 H241 ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 402' ' ' PCW . . . . . 0.946 ' C41' H381 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 403' ' ' PCW . . . . . 1.126 ' H31' ' H41' ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 404' ' ' PCW . . . . . 1.055 ' O2P' ' H52' ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 405' ' ' PCW . . . . . 1.016 H371 H461 ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 406' ' ' PCW . . . . . 1.055 ' H52' ' O2P' ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 407' ' ' PCW . . . . . 1.091 H212 ' C17' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 408' ' ' PCW . . . . . 0.948 H131 H231 ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 409' ' ' PCW . . . . . 1.245 ' C19' H142 ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 410' ' ' PCW . . . . . 1.002 H321 ' H51' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 411' ' ' PCW . . . . . 1.016 H461 H371 ' A' ' 405' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 412' ' ' PCW . . . . . 0.989 H483 H271 ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 413' ' ' PCW . . . . . 1.013 ' H39' H271 ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 414' ' ' PCW . . . . . 1.059 H341 ' H32' ' A' ' 415' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 415' ' ' 17F . . . . . 1.059 ' H32' H341 ' A' ' 414' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 416' ' ' 17F . . . . . 1.004 ' H57' H211 ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 417' ' ' PCW . . . . . 1.039 H161 H331 ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 418' ' ' PCW . . . . . 1.017 H422 H231 ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 419' ' ' PCW . . . . . 0.969 H251 H412 ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 420' ' ' PCW . . . . . 1.041 H372 H431 ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 421' ' ' PCW . . . . . 0.858 ' H63' ' O11' ' A' ' 421' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 422' ' ' 17F . . . . . 1.126 ' H6 ' ' C14' ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 601' ' ' PCW . . . . . 0.979 H421 H461 ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 602' ' ' PCW . . . . . 0.956 H212 ' C17' ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 603' ' ' PCW . . . . . 1.118 ' H41' ' H2 ' ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 604' ' ' PCW . . . . . 1.098 H482 H282 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 605' ' ' PCW . . . . . 1.075 H182 H362 ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 606' ' ' PCW . . . . . 1.097 H172 H212 ' D' ' 606' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 607' ' ' PCW . . . . . 1.098 H432 H472 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 608' ' ' PCW . . . . . 1.075 ' H20' ' H18' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 609' ' ' PCW . . . . . 1.009 ' H31' H422 ' D' ' 606' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 610' ' ' PCW . . . . . 1.043 ' H63' ' H6A' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 611' ' ' PCW . . . . . 1.038 H351 H222 ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 612' ' ' PCW . . . . . 1.091 H172 H351 ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 613' ' ' PCW . . . . . 1.017 H231 H422 ' A' ' 418' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 614' ' ' PCW . . . . . 1.075 H362 H182 ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 615' ' ' PCW . . . . . 0.985 H461 H421 ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 616' ' ' PCW . . . . . 0.927 ' H51' ' O4 ' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 617' ' ' PCW . . . . . 1.008 H371 H142 ' D' ' 619' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 618' ' ' PCW . . . . . 1.041 H431 H372 ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 619' ' ' PCW . . . . . 1.027 H251 H451 ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 620' ' ' PCW . . . . . 1.067 H211 H482 ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 621' ' ' PCW . . . . . 1.046 ' H41' ' H2 ' ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 622' ' ' PCW . . . . . 1.126 ' C14' ' H6 ' ' A' ' 422' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 623' ' ' PCW . . . . . 1.144 ' H20' H481 ' B' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 624' ' ' PCW . . . . . 1.086 H242 H242 ' C' ' 217' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 625' ' ' PCW . . . . . 1.061 H261 H421 ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 626' ' ' PCW . . . . . 1.098 H282 H482 ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 627' ' ' PCW . . . . . 1.035 ' H20' ' C35' ' C' ' 217' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 628' ' ' 17F . . . . . 1.075 ' H18' ' H20' ' D' ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 629' ' ' 17F . . . . . 0.994 ' H46' H182 ' D' ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 630' ' ' 17F . . . . . 0.684 ' C9 ' H122 ' A' ' 421' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 631' ' ' 17F . . . . . 1.043 ' H6A' ' H63' ' D' ' 610' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 632' ' ' 17F . . . . . 0.927 ' O4 ' ' H51' ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 201' ' ' GSP . . . . . 0.792 H5'2 ' HE1' ' B' ' 32' ' ' TYR . . . . . . . . 0 O4'--C1' 1.437 1.926 2 O4'-C1'-N19 112.978 4.778 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 202' ' ' ' MG' . . . . . 0.617 'MG ' ' O3G' ' B' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 203' ' ' PCW . . . . . 1.144 H481 ' H20' ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 204' ' ' PCW . . . . . 1.005 H171 H211 ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 205' ' ' PCW . . . . . 1.039 ' H12' ' H42' ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 206' ' ' PCW . . . . . 0.998 ' O4P' ' H31' ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 207' ' ' PCW . . . . . 0.933 ' H62' H121 ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 208' ' ' PCW . . . . . 1.032 H321 ' H82' ' C' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 209' ' ' 17F . . . . . 1.007 ' H33' ' H42' ' A' ' 415' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 210' ' ' 17F . . . . . 1.022 ' H58' H232 ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 211' ' ' 17F . . . . . 1.047 ' H47' H422 ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 201' ' ' GSP . . . . . 0.645 H5'2 ' CD1' ' C' ' 32' ' ' TYR . . . . . . . . 0 O4'--C1' 1.438 1.96 2 O4'-C1'-N19 113.597 5.397 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 202' ' ' ' MG' . . . . . 0.637 'MG ' ' O3G' ' C' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 203' ' ' PCW . . . . . 1.027 H132 H171 ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 204' ' ' PCW . . . . . 1.072 H242 ' H20' ' C' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 205' ' ' PCW . . . . . 1.07 H231 H261 ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 206' ' ' PCW . . . . . 1.099 H241 H411 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 207' ' ' PCW . . . . . 1.111 H421 ' H32' ' C' ' 213' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 208' ' ' PCW . . . . . 1.099 H411 H241 ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 209' ' ' PCW . . . . . 1.101 ' O4P' ' H32' ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 210' ' ' PCW . . . . . 1.072 ' H20' H242 ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 211' ' ' PCW . . . . . 1.048 H372 ' H12' ' B' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 212' ' ' PCW . . . . . 1.093 ' C18' H452 ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 213' ' ' 17F . . . . . 1.111 ' H32' H421 ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 214' ' ' 17F . . . . . 0.961 ' O7 ' H121 ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 215' ' ' 17F . . . . . 1.054 ' H59' H412 ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 216' ' ' PCW . . . . . 1.075 H442 H341 ' C' ' 217' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 217' ' ' PCW . . . . . 1.086 H242 H242 ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 218' ' ' 17F . . . . . 1.028 ' H76' H462 ' C' ' 216' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 219' ' ' 17F . . . . . 1.057 ' H67' ' H39' ' A' ' 422' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 201' ' ' LEU . . . . . 0.485 HD23 HD12 ' A' ' 204' ' ' LEU . 76.4 mt . . . . . 0 N--CA 1.461 0.109 0 CA-C-O 121.071 0.462 . . . . 10.0 110.311 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 8.4 tmtm? -59.65 -47.63 84.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.464 -0.789 . . . . 10.0 111.133 -179.092 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 96.0 mt -71.57 -23.92 61.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.434 . . . . 10.0 111.409 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 204' ' ' LEU . . . . . 0.485 HD12 HD23 ' A' ' 201' ' ' LEU . 73.5 mt -79.03 -50.26 11.36 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.886 0.374 . . . . 10.0 111.19 -179.54 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -63.47 -45.65 89.82 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.87 -0.604 . . . . 10.0 111.169 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -62.68 -31.3 72.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.846 -0.615 . . . . 10.0 110.664 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 24.5 t90 -67.81 -35.57 78.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.764 -0.653 . . . . 10.0 110.226 179.375 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -63.62 -38.28 90.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.909 0.385 . . . . 10.0 110.128 179.35 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 1.6 m -63.28 -42.99 99.16 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.003 -0.544 . . . . 10.0 109.638 178.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 61.7 t -67.01 -39.25 82.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 109.275 -0.639 . . . . 10.0 109.275 178.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 84.8 m -61.39 -46.91 88.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.746 -0.661 . . . . 10.0 110.63 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.6 -30.99 72.01 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.062 0.458 . . . . 10.0 110.375 179.628 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 47.3 m -65.82 -42.41 90.64 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 108.449 -0.945 . . . . 10.0 108.449 177.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -68.1 -35.25 77.86 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.496 -0.775 . . . . 10.0 110.193 179.359 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 13.7 m -62.35 -49.9 73.74 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.447 -0.575 . . . . 10.0 109.447 178.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 28.3 mmtp -64.23 -33.93 76.93 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.121 179.084 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 217' ' ' LEU . . . . . 0.637 HD11 H251 ' A' ' 405' ' ' PCW . 20.5 mt -65.01 -46.02 83.12 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.274 178.621 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 218' ' ' ARG . . . . . 0.502 ' HA ' HD12 ' A' ' 221' ' ' LEU . 82.1 mtt180 -62.92 -33.41 75.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.091 0.472 . . . . 10.0 110.187 179.239 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -68.78 -39.45 80.16 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.533 -0.758 . . . . 10.0 110.21 178.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -75.82 -33.16 60.07 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.243 179.362 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 221' ' ' LEU . . . . . 0.502 HD12 ' HA ' ' A' ' 218' ' ' ARG . 24.8 mt -52.99 -34.58 56.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.761 -0.654 . . . . 10.0 111.105 179.334 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -57.87 -70.56 0.95 Allowed Glycine 0 C--N 1.334 0.428 0 N-CA-C 111.274 -0.731 . . . . 10.0 111.274 178.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -53.54 -40.96 77.06 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.508 2.139 . . . . 10.0 111.544 178.326 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 224' ' ' VAL . . . . . 0.47 ' O ' ' HB2' ' A' ' 228' ' ' PHE . 21.2 t -55.86 -52.86 44.38 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.156 0 CA-C-N 116.619 -0.264 . . . . 10.0 111.494 179.494 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 7.7 p -64.17 -38.76 92.22 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.73 -0.388 . . . . 10.0 110.797 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -60.08 -51.19 70.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.35 -0.386 . . . . 10.0 110.457 179.189 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -65.78 -42.86 90.28 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.343 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 228' ' ' PHE . . . . . 0.47 ' HB2' ' O ' ' A' ' 224' ' ' VAL . 0.2 OUTLIER -59.72 -51.91 67.74 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.048 -0.524 . . . . 10.0 110.798 179.452 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 19.9 m95 -64.82 -37.83 88.94 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 116.423 -0.353 . . . . 10.0 111.265 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -61.43 -50.42 72.89 Favored 'General case' 0 C--N 1.333 -0.117 0 N-CA-C 109.663 -0.495 . . . . 10.0 109.663 178.609 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 231' ' ' ASN . . . . . 0.788 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 81.0 m-20 -66.12 -39.11 89.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.358 179.082 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 11.5 mt -62.45 -38.43 89.73 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.711 -0.477 . . . . 10.0 109.711 178.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 233' ' ' GLU . . . . . 0.526 ' HA ' ' OG1' ' A' ' 236' ' ' THR . 4.9 mm-40 -68.54 -25.77 65.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.729 178.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 234' ' ' LYS . . . . . 0.788 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 69.7 mttt -71.94 -40.45 68.73 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.053 -1.091 . . . . 10.0 108.053 177.43 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 235' ' ' GLU . . . . . 0.438 ' HG3' ' ND2' ' D' ' 539' ' ' ASN . 45.4 mt-10 -69.24 -45.08 70.65 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 114.98 -1.009 . . . . 10.0 110.09 179.316 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 236' ' ' THR . . . . . 0.526 ' OG1' ' HA ' ' A' ' 233' ' ' GLU . 18.4 p -65.0 -40.04 94.35 Favored 'General case' 0 C--O 1.223 -0.323 0 N-CA-C 109.568 -0.53 . . . . 10.0 109.568 178.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 237' ' ' GLU . . . . . 0.51 ' HA ' ' HD2' ' A' ' 240' ' ' ARG . 22.4 tt0 -58.89 -43.93 91.06 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 109.222 -0.659 . . . . 10.0 109.222 178.472 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -63.53 -45.49 94.62 Favored Glycine 0 N--CA 1.444 -0.783 0 N-CA-C 110.304 -1.118 . . . . 10.0 110.304 178.31 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 72.8 mt -63.48 -26.09 68.56 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.722 0.296 . . . . 10.0 110.684 179.184 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 240' ' ' ARG . . . . . 0.51 ' HD2' ' HA ' ' A' ' 237' ' ' GLU . 60.6 mtt180 -72.67 -40.0 66.65 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.125 -0.694 . . . . 10.0 109.125 178.467 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -68.92 -43.68 74.65 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.229 -1.026 . . . . 10.0 108.229 177.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -69.14 -21.47 64.01 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.194 -0.912 . . . . 10.0 110.995 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 49.9 ttm -64.41 -38.69 91.9 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.198 0.523 . . . . 10.0 109.615 178.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 244' ' ' SER . . . . . 0.585 ' HA ' ' HG2' ' A' ' 248' ' ' GLU . 2.1 m -76.61 7.14 4.86 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.39 -0.823 . . . . 10.0 110.044 179.227 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -120.97 -58.84 1.78 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.36 -0.607 . . . . 10.0 109.36 178.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 246' ' ' ASP . . . . . 0.606 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 1.5 m-20 -56.27 -54.34 46.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 10.0 111.245 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 247' ' ' LEU . . . . . 0.432 ' O ' HG12 ' A' ' 250' ' ' VAL . 63.1 mt -77.46 -45.44 25.7 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.845 0.683 . . . . 10.0 112.845 -178.552 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 248' ' ' GLU . . . . . 0.585 ' HG2' ' HA ' ' A' ' 244' ' ' SER . 70.4 mm-40 -61.01 -49.44 77.41 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.366 0.506 . . . . 10.0 112.366 -179.182 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -67.6 -37.91 83.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.416 -0.357 . . . . 10.0 110.701 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 250' ' ' VAL . . . . . 0.743 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 0.9 OUTLIER -67.45 -28.07 40.85 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.343 0 C-N-CA 120.428 -0.509 . . . . 10.0 110.79 179.551 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 251' ' ' LYS . . . . . 0.446 ' O ' HG12 ' A' ' 254' ' ' VAL . 56.1 mttt -78.08 -40.87 37.17 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 109.917 -0.401 . . . . 10.0 109.917 178.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -68.77 -36.64 78.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.798 -0.637 . . . . 10.0 109.958 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -83.83 -25.48 30.32 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.698 -0.683 . . . . 10.0 112.167 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 254' ' ' VAL . . . . . 0.743 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.5 OUTLIER -62.71 -26.37 40.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.9 0.381 . . . . 10.0 110.616 179.561 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 255' ' ' GLN . . . . . 0.554 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 13.2 mt-30 -61.78 -63.22 4.52 Favored Pre-proline 0 N--CA 1.452 -0.374 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.438 179.624 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 256' ' ' PRO . . . . . 0.554 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 36.7 Cg_endo -66.92 -32.08 36.49 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 121.799 1.666 . . . . 10.0 111.751 178.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 4.6 m-30 -61.87 -55.87 25.21 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.868 0.366 . . . . 10.0 110.461 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 43.2 mt -68.18 -31.97 71.89 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 115.954 -0.567 . . . . 10.0 111.027 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 259' ' ' ASP . . . . . 0.428 ' O ' ' HB2' ' A' ' 263' ' ' LYS . 8.1 t70 -67.33 -44.94 77.86 Favored 'General case' 0 C--O 1.224 -0.274 0 N-CA-C 110.124 -0.325 . . . . 10.0 110.124 179.18 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -61.51 -48.29 81.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.016 -0.538 . . . . 10.0 109.786 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 261' ' ' PHE . . . . . 0.5 ' O ' ' HB2' ' A' ' 265' ' ' TRP . 13.6 m-85 -65.04 -40.61 95.04 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 115.876 -0.602 . . . . 10.0 111.16 179.541 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -66.51 -42.29 87.55 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.775 -0.454 . . . . 10.0 109.775 179.238 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 263' ' ' LYS . . . . . 0.428 ' HB2' ' O ' ' A' ' 259' ' ' ASP . 11.8 ttmm -56.55 -53.4 58.04 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.126 -0.694 . . . . 10.0 109.126 178.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 264' ' ' LYS . . . . . 0.532 ' O ' ' HG3' ' A' ' 268' ' ' GLU . 75.2 mttt -66.62 -35.61 80.6 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.49 -0.777 . . . . 10.0 111.125 179.474 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 265' ' ' TRP . . . . . 0.5 ' HB2' ' O ' ' A' ' 261' ' ' PHE . 0.1 OUTLIER -62.37 -43.77 98.03 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 120.978 0.418 . . . . 10.0 110.39 179.417 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -61.59 -41.29 97.21 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.364 -0.606 . . . . 10.0 109.364 178.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 267' ' ' GLU . . . . . 0.435 ' O ' ' HG ' ' A' ' 271' ' ' LEU . 43.3 mt-10 -66.19 -36.64 83.61 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.682 -0.69 . . . . 10.0 109.835 178.421 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 268' ' ' GLU . . . . . 0.573 ' HG2' ' HD3' ' D' ' 506' ' ' ARG . 28.0 mt-10 -63.15 -46.19 88.34 Favored 'General case' 0 CA--C 1.519 -0.217 0 N-CA-C 108.385 -0.969 . . . . 10.0 108.385 177.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 87.8 mmm -61.73 -38.8 89.27 Favored 'General case' 0 C--O 1.225 -0.21 0 CA-C-N 115.705 -0.679 . . . . 10.0 109.832 178.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -63.55 -43.27 97.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.151 -0.477 . . . . 10.0 109.8 178.575 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 271' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 267' ' ' GLU . 88.6 mt -66.06 -36.38 83.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.768 -0.651 . . . . 10.0 109.693 178.609 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -68.06 -41.12 82.46 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.455 -0.572 . . . . 10.0 109.455 178.22 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 63.2 mtt180 -63.28 -45.86 89.52 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 115.921 -0.582 . . . . 10.0 110.916 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -72.48 -8.01 52.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.367 -0.379 . . . . 10.0 111.927 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 275' ' ' LYS . . . . . 0.826 ' HG2' HD21 ' D' ' 499' ' ' LEU . 9.9 mptt -104.57 -45.95 4.49 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.504 -0.317 . . . . 10.0 110.965 179.21 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 8.6 p -54.98 -33.48 29.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 112.676 0.621 . . . . 10.0 112.676 -179.215 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 277' ' ' GLU . . . . . 0.418 ' HB2' ' HD3' ' A' ' 278' ' ' PRO . 57.4 mt-10 -66.94 -61.55 4.76 Favored Pre-proline 0 C--N 1.329 -0.3 0 C-N-CA 120.841 -0.344 . . . . 10.0 111.915 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 278' ' ' PRO . . . . . 0.418 ' HD3' ' HB2' ' A' ' 277' ' ' GLU . 34.4 Cg_endo -66.0 -37.66 25.43 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 121.882 1.721 . . . . 10.0 112.172 178.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 279' ' ' LEU . . . . . 0.861 HD22 ' HE3' ' D' ' 495' ' ' LYS . 22.8 mt -62.96 -40.36 97.46 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 121.027 -0.269 . . . . 10.0 110.692 179.267 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 37.3 ttm180 -66.41 -32.97 74.69 Favored 'General case' 0 C--N 1.334 -0.085 0 N-CA-C 109.406 -0.591 . . . . 10.0 109.406 178.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -66.0 -49.2 68.61 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.009 -0.737 . . . . 10.0 109.009 178.441 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -60.0 -45.28 93.28 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.686 -0.688 . . . . 10.0 109.444 178.626 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 20.9 mt -60.36 -44.41 95.6 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 115.654 -0.703 . . . . 10.0 110.674 179.419 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -65.5 -47.44 75.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.682 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -59.91 -48.01 83.44 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.757 -0.46 . . . . 10.0 109.757 179.123 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -62.46 -46.02 94.69 Favored Glycine 0 N--CA 1.441 -1.033 0 N-CA-C 111.337 -0.705 . . . . 10.0 111.337 179.202 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -60.46 -44.22 96.08 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 110.559 -0.163 . . . . 10.0 110.559 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 81.4 mtt180 -57.09 -50.4 72.89 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 123.389 0.431 . . . . 10.0 110.11 179.22 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -64.59 -46.52 82.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.962 -0.563 . . . . 10.0 111.475 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 290' ' ' LYS . . . . . 0.415 ' O ' ' HG ' ' A' ' 294' ' ' LEU . 73.5 mttt -63.09 -43.97 97.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.421 -0.354 . . . . 10.0 110.99 -179.682 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 291' ' ' LEU . . . . . 0.618 HD23 HD12 ' A' ' 294' ' ' LEU . 87.8 mt -67.98 -33.67 75.07 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.441 -0.345 . . . . 10.0 110.834 179.38 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -68.17 -41.62 81.21 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.024 -0.732 . . . . 10.0 109.024 178.165 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.02 -31.83 73.16 Favored 'General case' 0 N--CA 1.457 -0.08 0 N-CA-C 109.152 -0.685 . . . . 10.0 109.152 178.563 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 294' ' ' LEU . . . . . 0.618 HD12 HD23 ' A' ' 291' ' ' LEU . 73.4 mt -70.0 -41.44 74.36 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.016 -0.735 . . . . 10.0 109.016 177.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -63.12 -31.36 72.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.801 -0.636 . . . . 10.0 109.695 178.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 48.2 mm-40 -65.3 -11.1 38.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.548 -0.751 . . . . 10.0 110.663 178.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 297' ' ' LYS . . . . . 0.457 ' O ' ' HB2' ' A' ' 301' ' ' LEU . 5.6 mmtp -117.69 -39.46 3.13 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.321 -0.399 . . . . 10.0 110.297 179.587 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 81.5 mt -61.42 -30.9 70.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.26 -0.427 . . . . 10.0 111.833 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 299' ' ' SER . . . . . 0.513 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 19.7 m -79.87 -63.56 0.36 Allowed Pre-proline 0 CA--C 1.542 0.643 0 N-CA-C 113.017 0.747 . . . . 10.0 113.017 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 300' ' ' PRO . . . . . 0.513 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 43.4 Cg_endo -68.32 -53.8 0.35 Allowed 'Trans proline' 0 C--N 1.355 0.874 0 C-N-CA 121.914 1.743 . . . . 10.0 112.563 -179.357 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 301' ' ' LEU . . . . . 0.457 ' HB2' ' O ' ' A' ' 297' ' ' LYS . 79.6 mt -65.93 -30.52 71.11 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.788 0.327 . . . . 10.0 110.162 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 302' ' ' GLY . . . . . 0.43 ' O ' ' HG3' ' A' ' 306' ' ' ARG . . . -66.01 -44.0 92.39 Favored Glycine 0 N--CA 1.445 -0.731 0 N-CA-C 110.243 -1.143 . . . . 10.0 110.243 178.427 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -68.08 -41.74 81.45 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.434 -0.58 . . . . 10.0 109.434 178.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -60.93 -39.17 88.42 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.761 -0.654 . . . . 10.0 109.748 178.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 305' ' ' MET . . . . . 0.572 ' SD ' ' HE3' ' D' ' 473' ' ' LYS . 13.5 tpt -62.62 -34.81 77.78 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.758 -0.655 . . . . 10.0 109.964 179.12 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 306' ' ' ARG . . . . . 0.49 ' O ' ' HG3' ' A' ' 310' ' ' ARG . 91.3 mtt180 -69.83 -43.43 71.99 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 121.146 0.498 . . . . 10.0 109.689 179.217 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -60.95 -47.28 87.16 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.785 -0.643 . . . . 10.0 109.547 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 308' ' ' ARG . . . . . 0.5 ' HG3' HD21 ' D' ' 469' ' ' LEU . 10.2 mmt180 -69.92 -26.72 64.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.787 178.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -69.19 -39.22 78.79 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 108.769 -0.826 . . . . 10.0 108.769 178.345 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 310' ' ' ARG . . . . . 0.49 ' HG3' ' O ' ' A' ' 306' ' ' ARG . 80.4 mtt180 -59.24 -46.36 88.71 Favored 'General case' 0 CA--C 1.516 -0.327 0 N-CA-C 108.641 -0.874 . . . . 10.0 108.641 177.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -66.39 -41.03 89.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.622 -0.717 . . . . 10.0 110.108 179.076 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 312' ' ' HIS . . . . . 0.56 ' HE1' ' HB2' ' D' ' 465' ' ' GLU . 0.1 OUTLIER -56.68 -51.95 66.81 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.016 178.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 58.6 t -73.35 -35.1 45.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.581 -0.736 . . . . 10.0 111.78 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -61.63 -46.76 88.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.665 0.269 . . . . 10.0 110.559 179.457 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -62.31 -35.95 80.63 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.172 -0.677 . . . . 10.0 109.172 178.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 29.4 mt -67.83 -45.72 73.87 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.456 178.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 9.1 mtm105 -59.88 -51.86 67.92 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.982 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 1.9 m -63.37 -23.15 67.28 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.076 -0.511 . . . . 10.0 111.754 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 319' ' ' HIS . . . . . 0.489 ' CE1' ' HB2' ' D' ' 458' ' ' ASP . 2.6 m80 -91.4 -44.63 9.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.745 0.307 . . . . 10.0 111.665 179.471 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 320' ' ' LEU . . . . . 0.485 ' HA ' ' HB2' ' A' ' 323' ' ' TYR . 93.7 mt -71.87 -25.68 62.05 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.432 0.531 . . . . 10.0 112.432 -179.19 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -58.06 -58.21 20.34 Favored Pre-proline 0 CA--C 1.538 0.488 0 N-CA-C 111.442 0.164 . . . . 10.0 111.442 179.274 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -68.2 -27.43 35.1 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 121.616 1.544 . . . . 10.0 110.545 178.307 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 323' ' ' TYR . . . . . 0.485 ' HB2' ' HA ' ' A' ' 320' ' ' LEU . 11.6 m-30 -65.73 -43.96 87.48 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.402 179.045 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 324' ' ' SER . . . . . 0.476 ' HA ' ' HB2' ' A' ' 327' ' ' LEU . 3.0 p -70.83 -31.44 68.17 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 109.257 -0.646 . . . . 10.0 109.257 178.805 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -62.16 -44.65 96.15 Favored 'General case' 0 N--CA 1.462 0.167 0 N-CA-C 108.633 -0.877 . . . . 10.0 108.633 177.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -70.0 -35.22 74.21 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-N 115.525 -0.761 . . . . 10.0 109.205 178.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 327' ' ' LEU . . . . . 0.476 ' HB2' ' HA ' ' A' ' 324' ' ' SER . 13.7 mt -61.54 -39.07 89.76 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.223 178.782 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 328' ' ' ARG . . . . . 0.476 ' HG3' ' O ' ' A' ' 324' ' ' SER . 70.6 mtt180 -59.99 -43.68 95.01 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.267 -0.642 . . . . 10.0 109.267 178.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -69.26 -40.92 77.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.564 -0.743 . . . . 10.0 110.23 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 330' ' ' ARG . . . . . 0.707 HH21 ' HB3' ' D' ' 447' ' ' GLU . 27.6 mtt-85 -62.03 -47.74 83.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.404 179.225 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 40.6 mt -60.67 -41.89 95.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.934 -0.575 . . . . 10.0 110.099 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -63.22 -50.48 70.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.152 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -57.95 -46.75 84.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.888 179.614 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 73.8 mtt-85 -62.91 -47.61 82.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.422 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 50.0 mt -61.0 -41.21 96.09 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-N 116.182 -0.463 . . . . 10.0 111.333 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -65.76 -42.85 90.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.761 0.315 . . . . 10.0 110.489 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -63.32 -45.62 90.46 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.527 -0.545 . . . . 10.0 109.527 179.04 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 96.6 mt -71.22 -10.29 59.51 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.532 -0.758 . . . . 10.0 111.448 179.453 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -92.32 -47.02 7.41 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.511 -0.551 . . . . 10.0 109.511 178.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -69.63 -46.21 66.73 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.963 -0.562 . . . . 10.0 109.925 179.349 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -74.95 -33.68 61.97 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.778 -0.823 . . . . 10.0 108.778 178.449 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -64.91 -39.02 96.22 Favored Glycine 0 N--CA 1.45 -0.426 0 CA-C-N 115.461 -0.79 . . . . 10.0 111.781 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -63.14 -40.71 99.48 Favored Glycine 0 N--CA 1.45 -0.385 0 N-CA-C 110.894 -0.882 . . . . 10.0 110.894 178.488 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -65.9 -42.79 89.76 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.264 -0.643 . . . . 10.0 109.264 178.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 345' ' ' ARG . . . . . 0.41 ' HG2' ' OD1' ' D' ' 429' ' ' ASN . 44.8 mtm180 -62.85 -41.53 99.39 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.228 178.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 24.7 mt -66.35 -46.94 75.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.449 -0.341 . . . . 10.0 110.698 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.49 -42.55 96.53 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.085 0.469 . . . . 10.0 110.184 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -67.1 -45.04 78.43 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.98 -0.555 . . . . 10.0 110.899 179.386 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -61.85 -37.01 82.9 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-O 120.964 0.411 . . . . 10.0 110.171 179.317 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.41 -44.01 88.76 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.63 -0.714 . . . . 10.0 109.461 178.424 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -63.71 -44.32 93.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.001 178.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 14.2 mttm -61.83 -39.83 93.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.802 -0.636 . . . . 10.0 109.682 178.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 353' ' ' ALA . . . . . 0.428 ' O ' ' HG ' ' A' ' 357' ' ' LEU . . . -66.82 -35.0 79.06 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.194 179.042 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 40.4 m -66.35 -43.38 86.22 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.451 -0.574 . . . . 10.0 109.451 178.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -66.87 -32.6 73.98 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 109.211 -0.663 . . . . 10.0 109.211 178.319 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -67.0 -28.78 68.53 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.594 -0.73 . . . . 10.0 109.527 178.383 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 357' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 353' ' ' ALA . 48.0 mt -72.97 -34.51 66.52 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.43 178.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.82 -44.77 88.77 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.546 -0.539 . . . . 10.0 109.546 179.052 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.39 -32.24 66.22 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 116.003 -0.544 . . . . 10.0 109.729 179.014 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 41.0 tp -65.31 -35.84 82.24 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 108.899 -0.778 . . . . 10.0 108.899 178.077 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 361' ' ' SER . . . . . 0.426 ' HB3' ' HE3' ' A' ' 365' ' ' LYS . 71.1 m -64.42 -29.67 70.73 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.655 -0.702 . . . . 10.0 110.035 179.069 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 362' ' ' GLU . . . . . 0.442 ' C ' ' HD2' ' A' ' 366' ' ' PRO . 49.9 mm-40 -71.48 -17.39 62.36 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.153 0.501 . . . . 10.0 109.847 178.674 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 363' ' ' LYS . . . . . 0.747 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 80.9 mttt -97.7 -37.31 9.94 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.635 -0.711 . . . . 10.0 109.452 178.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -77.02 -31.32 56.25 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.921 0.712 . . . . 10.0 112.921 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 365' ' ' LYS . . . . . 0.986 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 69.5 mttt -100.35 -71.67 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 N-CA-C 112.421 0.526 . . . . 10.0 112.421 -179.605 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 366' ' ' PRO . . . . . 0.986 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 24.4 Cg_exo -64.76 -56.7 0.37 Allowed 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 121.836 1.691 . . . . 10.0 113.128 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 367' ' ' ALA . . . . . 0.747 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -57.56 -47.67 81.42 Favored 'General case' 0 C--O 1.225 -0.195 0 N-CA-C 112.684 0.624 . . . . 10.0 112.684 -179.131 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 368' ' ' LEU . . . . . 0.463 HD23 ' HA ' ' A' ' 368' ' ' LEU . 10.5 mt -62.09 -43.52 98.67 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.943 -0.303 . . . . 10.0 110.833 179.564 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -62.23 -44.61 96.18 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.975 -0.75 . . . . 10.0 108.975 178.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -59.78 -43.33 94.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.459 -0.791 . . . . 10.0 109.806 179.262 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 75.4 mt -63.3 -47.58 81.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.519 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 372' ' ' ARG . . . . . 0.426 ' O ' ' HG ' ' A' ' 376' ' ' LEU . 93.3 mtt180 -60.91 -44.43 97.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.291 179.508 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -63.17 -30.21 71.41 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.84 -0.618 . . . . 10.0 111.3 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -83.65 -34.69 18.54 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.766 -0.73 . . . . 10.0 111.598 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 83.9 mt -74.25 -32.31 62.91 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.376 0.509 . . . . 10.0 112.376 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 376' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 372' ' ' ARG . 68.8 mt -51.27 -59.43 7.77 Favored Pre-proline 0 CA--C 1.535 0.38 0 N-CA-C 112.269 0.47 . . . . 10.0 112.269 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -61.45 -29.84 85.84 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.197 1.932 . . . . 10.0 111.455 178.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 38.1 t -64.69 -43.51 96.59 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.12 0 N-CA-C 108.697 -0.853 . . . . 10.0 108.697 178.498 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 55.1 mt -63.9 -37.72 88.44 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.422 -0.585 . . . . 10.0 109.422 178.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 380' ' ' GLU . . . . . 0.477 ' O ' HG23 ' A' ' 384' ' ' VAL . 24.8 mm-40 -59.17 -52.49 65.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.692 -0.686 . . . . 10.0 110.32 179.07 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 4.0 p -67.36 -39.93 85.74 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.404 -0.362 . . . . 10.0 110.688 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.34 -44.76 88.84 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.425 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -60.19 -41.18 92.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.407 -0.361 . . . . 10.0 110.758 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 384' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 380' ' ' GLU . 55.0 t -62.02 -47.23 94.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 109.934 -0.395 . . . . 10.0 109.934 179.187 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 12.3 m -62.99 -49.23 75.52 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.706 -0.679 . . . . 10.0 110.828 179.334 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -61.82 -43.25 99.22 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.114 -0.493 . . . . 10.0 111.8 -179.38 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 47.0 mt -61.02 -50.66 72.44 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.689 -0.232 . . . . 10.0 111.605 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 9.0 p -65.87 -34.81 79.0 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.472 -0.331 . . . . 10.0 110.936 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -64.03 -43.07 96.71 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.517 -0.31 . . . . 10.0 110.626 178.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 68.5 mt -59.05 -44.05 91.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.962 -0.563 . . . . 10.0 109.675 178.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -66.17 -38.31 87.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.628 -0.714 . . . . 10.0 110.285 179.444 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 392' ' ' GLU . . . . . 0.66 ' HB3' ' HE1' ' D' ' 591' ' ' TYR . 42.0 mm-40 -59.69 -42.67 93.49 Favored 'General case' 0 CA--C 1.521 -0.172 0 CA-C-N 116.181 -0.463 . . . . 10.0 111.678 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -64.51 -48.88 73.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.964 -0.562 . . . . 10.0 111.079 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -68.24 -24.55 64.92 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.114 0.483 . . . . 10.0 110.987 179.36 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -71.04 -28.96 64.76 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 115.84 -0.618 . . . . 10.0 111.539 -179.451 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 396' ' ' LYS . . . . . 0.447 ' HG2' ' HB2' ' D' ' 587' ' ' ALA . 2.0 mptt -111.9 -20.02 12.17 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 113.142 0.793 . . . . 10.0 113.142 -179.166 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 95.4 mt -100.53 8.89 43.21 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 120.74 0.305 . . . . 10.0 111.323 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 63.7 t30 . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.315 -0.402 . . . . 10.0 110.432 179.573 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 2.4 mm? . . . . . 0 CA--C 1.52 -0.179 0 CA-C-O 121.323 0.582 . . . . 10.0 110.051 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -99.65 19.56 15.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.406 -0.816 . . . . 10.0 110.14 179.587 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 71.2 mt -63.72 -30.76 71.82 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.619 -0.719 . . . . 10.0 110.803 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 18.1 mt -64.68 -41.93 95.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.339 0.59 . . . . 10.0 110.199 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -74.46 -35.0 63.29 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.018 -0.537 . . . . 10.0 109.934 178.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -64.54 -38.86 92.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.176 179.318 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 1.1 m95 -70.23 -29.45 66.27 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.522 -0.763 . . . . 10.0 110.642 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -61.28 -44.7 96.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.136 -0.483 . . . . 10.0 110.144 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.46 -39.12 93.61 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.275 179.466 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 44.5 t -69.9 -41.01 79.48 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.096 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 37.0 m -63.88 -36.01 82.54 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.321 0.582 . . . . 10.0 109.876 178.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 67.2 m -66.04 -41.84 90.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.762 -0.653 . . . . 10.0 110.652 178.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 411' ' ' THR . . . . . 0.571 ' O ' ' HG ' ' D' ' 415' ' ' LEU . 0.1 OUTLIER -68.56 -34.77 76.4 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 110.085 -0.339 . . . . 10.0 110.085 179.41 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -63.79 -40.57 96.97 Favored 'General case' 0 N--CA 1.46 0.069 0 N-CA-C 109.088 -0.708 . . . . 10.0 109.088 177.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 19.5 m -67.14 -38.98 86.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.219 -0.901 . . . . 10.0 109.083 178.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 414' ' ' LYS . . . . . 0.453 ' HD3' ' HA ' ' D' ' 414' ' ' LYS . 41.0 mmtt -65.08 -28.29 69.36 Favored 'General case' 0 CA--C 1.522 -0.131 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.361 178.589 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 415' ' ' LEU . . . . . 0.571 ' HG ' ' O ' ' D' ' 411' ' ' THR . 82.1 mt -67.83 -37.55 82.07 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.115 -0.698 . . . . 10.0 109.115 178.747 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 416' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' D' ' 416' ' ' ARG . 60.2 mtt180 -69.84 -36.37 75.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.704 -0.68 . . . . 10.0 109.733 179.209 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -61.68 -28.04 69.11 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-N 115.666 -0.697 . . . . 10.0 109.883 178.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -84.51 -51.45 6.89 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.428 -0.806 . . . . 10.0 108.853 177.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 33.8 mt -44.8 -47.81 10.94 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.241 -0.89 . . . . 10.0 112.768 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -51.62 -75.55 0.21 Allowed Glycine 0 CA--C 1.523 0.557 0 C-N-CA 121.186 -0.531 . . . . 10.0 112.934 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 421' ' ' PRO . . . . . 0.581 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 48.3 Cg_exo -57.39 -41.83 68.38 Favored 'Trans proline' 0 C--O 1.234 0.294 0 C-N-CA 122.872 2.381 . . . . 10.0 112.52 179.584 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 422' ' ' VAL . . . . . 0.469 ' O ' ' HB2' ' D' ' 426' ' ' PHE . 37.5 t -58.32 -49.9 80.37 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.198 0 N-CA-C 112.221 0.452 . . . . 10.0 112.221 -179.414 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 46.7 p -66.59 -33.99 76.9 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.773 -0.371 . . . . 10.0 110.739 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -61.28 -52.29 65.33 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.98 -0.378 . . . . 10.0 109.98 179.003 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 425' ' ' GLU . . . . . 0.581 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 11.4 pt-20 -73.43 -25.53 60.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.772 179.158 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 426' ' ' PHE . . . . . 0.469 ' HB2' ' O ' ' D' ' 422' ' ' VAL . 17.1 t80 -70.21 -38.72 75.34 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 108.981 -0.748 . . . . 10.0 108.981 178.652 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 427' ' ' TRP . . . . . 0.455 ' O ' ' HG3' ' D' ' 431' ' ' GLU . 2.4 m95 -64.78 -44.02 91.35 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 108.7 -0.852 . . . . 10.0 108.7 178.316 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 428' ' ' ASP . . . . . 0.5 ' O ' ' HG3' ' D' ' 432' ' ' LYS . 21.2 t70 -63.38 -37.34 86.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.274 -0.875 . . . . 10.0 109.288 178.481 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 429' ' ' ASN . . . . . 0.41 ' OD1' ' HG2' ' A' ' 345' ' ' ARG . 4.7 t30 -66.35 -44.44 83.23 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.111 -0.7 . . . . 10.0 109.111 177.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 85.0 mt -61.08 -36.42 79.6 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 115.763 -0.653 . . . . 10.0 110.188 179.169 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 431' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' D' ' 427' ' ' TRP . 25.2 mt-10 -63.16 -39.34 94.37 Favored 'General case' 0 CA--C 1.522 -0.124 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.069 178.749 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 432' ' ' LYS . . . . . 0.5 ' HG3' ' O ' ' D' ' 428' ' ' ASP . 50.4 mttp -66.64 -43.31 84.99 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 109.201 -0.666 . . . . 10.0 109.201 178.688 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -61.77 -52.01 65.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.689 -0.687 . . . . 10.0 111.176 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 2.6 p -59.68 -47.54 85.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.384 -0.371 . . . . 10.0 111.322 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 435' ' ' GLU . . . . . 0.428 ' O ' ' HG3' ' D' ' 439' ' ' GLN . 9.5 mm-40 -62.85 -41.19 99.26 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 116.491 -0.322 . . . . 10.0 110.253 179.046 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -63.99 -43.25 97.67 Favored Glycine 0 N--CA 1.449 -0.486 0 N-CA-C 110.848 -0.901 . . . . 10.0 110.848 178.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 85.9 mt -64.89 -34.93 79.57 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.426 -0.583 . . . . 10.0 109.426 178.492 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 438' ' ' ARG . . . . . 0.412 ' HD2' ' OE1' ' D' ' 435' ' ' GLU . 56.5 mtt180 -66.97 -36.15 81.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.748 -0.66 . . . . 10.0 109.632 178.791 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 439' ' ' GLN . . . . . 0.428 ' HG3' ' O ' ' D' ' 435' ' ' GLU . 95.4 mt-30 -60.03 -41.21 91.75 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 109.101 -0.703 . . . . 10.0 109.101 178.382 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -70.91 -49.45 45.65 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.647 -0.706 . . . . 10.0 109.339 178.532 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 8.1 mmt -57.27 -37.81 72.95 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 112.794 0.664 . . . . 10.0 112.794 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 442' ' ' SER . . . . . 0.437 ' O ' ' HG2' ' D' ' 446' ' ' GLU . 44.7 m -58.5 -40.38 82.66 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.247 0.546 . . . . 10.0 110.316 179.339 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp -85.93 -42.91 13.65 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.437 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 444' ' ' ASP . . . . . 0.638 ' O ' ' HB ' ' D' ' 448' ' ' VAL . 26.2 t70 -60.05 -56.05 26.44 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.878 -0.601 . . . . 10.0 112.564 -179.136 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 445' ' ' LEU . . . . . 0.531 ' O ' HG12 ' D' ' 448' ' ' VAL . 96.1 mt -65.2 -44.8 87.21 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 113.061 0.764 . . . . 10.0 113.061 -178.305 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 446' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' D' ' 442' ' ' SER . 5.3 mm-40 -67.63 -45.7 74.61 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.784 -0.366 . . . . 10.0 111.258 -179.627 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 447' ' ' GLU . . . . . 0.707 ' HB3' HH21 ' A' ' 330' ' ' ARG . 33.3 tt0 -70.4 -29.31 65.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.557 -0.292 . . . . 10.0 110.706 179.565 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 448' ' ' VAL . . . . . 0.638 ' HB ' ' O ' ' D' ' 444' ' ' ASP . 0.3 OUTLIER -66.63 -27.41 40.03 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.355 0 N-CA-C 109.844 -0.428 . . . . 10.0 109.844 178.811 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -71.68 -29.37 64.52 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 108.789 -0.819 . . . . 10.0 108.789 178.04 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -96.72 15.71 21.12 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.211 -0.904 . . . . 10.0 109.655 179.108 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 451' ' ' LYS . . . . . 0.424 ' HB2' ' HA ' ' D' ' 448' ' ' VAL . 45.0 mttm -125.71 -49.09 1.64 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.354 -0.839 . . . . 10.0 109.776 178.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 452' ' ' VAL . . . . . 0.451 HG23 HG22 ' D' ' 448' ' ' VAL . 39.2 t -62.01 -43.75 98.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.586 179.39 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -60.74 -57.44 26.49 Favored Pre-proline 0 CA--C 1.533 0.309 0 N-CA-C 112.743 0.646 . . . . 10.0 112.743 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_endo -61.15 -35.86 83.9 Favored 'Trans proline' 0 C--N 1.352 0.753 0 C-N-CA 121.675 1.584 . . . . 10.0 111.456 178.499 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 455' ' ' TYR . . . . . 0.412 ' CD1' ' HE2' ' A' ' 323' ' ' TYR . 4.9 t80 -68.54 -34.25 75.52 Favored 'General case' 0 C--O 1.232 0.158 0 N-CA-C 109.64 -0.504 . . . . 10.0 109.64 178.707 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 456' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' D' ' 456' ' ' LEU . 13.6 mt -69.65 -36.8 76.39 Favored 'General case' 0 C--O 1.219 -0.552 0 N-CA-C 108.851 -0.796 . . . . 10.0 108.851 178.155 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -65.04 -43.36 92.59 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 108.861 -0.792 . . . . 10.0 108.861 178.092 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 458' ' ' ASP . . . . . 0.489 ' HB2' ' CE1' ' A' ' 319' ' ' HIS . 16.3 t70 -60.97 -42.52 98.49 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 115.221 -0.9 . . . . 10.0 109.164 178.328 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -68.98 -41.41 77.91 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.046 -0.979 . . . . 10.0 110.598 178.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -58.96 -43.98 91.4 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 109.923 -0.399 . . . . 10.0 109.923 179.159 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 461' ' ' LYS . . . . . 0.508 ' O ' ' HG3' ' D' ' 465' ' ' GLU . 74.4 mttt -61.8 -43.65 98.43 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.427 -0.583 . . . . 10.0 109.427 178.629 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 462' ' ' LYS . . . . . 0.687 ' HB3' H283 ' D' ' 602' ' ' PCW . 2.8 mtmm -66.77 -39.56 87.88 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.169 179.075 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 21.0 m0 -63.83 -39.26 93.81 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.569 -0.53 . . . . 10.0 109.569 178.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -65.34 -46.27 80.9 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 109.273 -0.64 . . . . 10.0 109.273 178.466 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 465' ' ' GLU . . . . . 0.56 ' HB2' ' HE1' ' A' ' 312' ' ' HIS . 42.5 mt-10 -57.43 -48.35 79.37 Favored 'General case' 0 C--O 1.223 -0.334 0 N-CA-C 108.805 -0.813 . . . . 10.0 108.805 178.404 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 466' ' ' GLU . . . . . 0.402 ' HG3' ' CZ ' ' D' ' 470' ' ' TYR . 6.7 tp10 -60.36 -52.35 65.61 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.736 -0.665 . . . . 10.0 111.07 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 72.6 mtm -60.2 -38.65 83.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 10.0 111.695 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 468' ' ' GLU . . . . . 0.433 ' HA ' ' HD2' ' D' ' 471' ' ' ARG . 40.1 mt-10 -74.89 -36.82 62.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.451 -0.34 . . . . 10.0 110.61 179.427 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 469' ' ' LEU . . . . . 0.567 HD22 ' HE2' ' D' ' 473' ' ' LYS . 34.4 mt -61.3 -42.26 98.36 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.104 -0.702 . . . . 10.0 109.104 178.531 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 470' ' ' TYR . . . . . 0.402 ' CZ ' ' HG3' ' D' ' 466' ' ' GLU . 22.9 m-30 -64.73 -23.85 67.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.955 -0.566 . . . . 10.0 111.049 179.532 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 471' ' ' ARG . . . . . 0.967 ' HA ' ' HG3' ' D' ' 475' ' ' GLU . 48.8 mtt85 -77.28 -25.15 51.08 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.291 0.567 . . . . 10.0 109.6 178.579 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -106.7 7.26 30.39 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.885 -0.598 . . . . 10.0 110.822 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 473' ' ' LYS . . . . . 0.572 ' HE3' ' SD ' ' A' ' 305' ' ' MET . 65.0 mttm -127.72 -72.48 0.63 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.057 -0.519 . . . . 10.0 110.311 179.673 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 11.3 t -62.88 -44.87 99.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.833 -0.621 . . . . 10.0 112.441 -178.367 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 475' ' ' GLU . . . . . 0.967 ' HG3' ' HA ' ' D' ' 471' ' ' ARG . 3.6 mt-10 -56.91 -55.2 46.27 Favored Pre-proline 0 N--CA 1.47 0.528 0 N-CA-C 112.551 0.574 . . . . 10.0 112.551 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -66.34 -36.44 27.59 Favored 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 121.481 1.454 . . . . 10.0 111.225 177.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 477' ' ' LEU . . . . . 0.437 ' HB2' ' O ' ' D' ' 473' ' ' LYS . 8.8 mt -66.11 -23.95 66.59 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 116.292 -0.413 . . . . 10.0 110.654 179.412 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 478' ' ' ARG . . . . . 0.418 ' HB2' ' O ' ' D' ' 475' ' ' GLU . 14.5 mtt-85 -62.41 -32.96 73.87 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.14 -0.689 . . . . 10.0 109.14 178.365 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -72.71 -38.11 67.59 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 108.717 -0.846 . . . . 10.0 108.717 178.433 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.79 -43.65 88.13 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.128 -0.693 . . . . 10.0 109.128 178.071 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 72.8 mt -64.48 -38.81 92.32 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 115.362 -0.835 . . . . 10.0 109.54 178.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -70.84 -41.34 71.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.574 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -64.72 -43.96 91.75 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.485 -0.561 . . . . 10.0 109.485 178.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -65.31 -33.95 88.1 Favored Glycine 0 N--CA 1.451 -0.343 0 N-CA-C 110.409 -1.077 . . . . 10.0 110.409 178.514 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -70.6 -42.7 70.62 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.621 -0.511 . . . . 10.0 109.621 178.325 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -60.54 -41.65 94.91 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 108.553 -0.906 . . . . 10.0 108.553 178.332 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.47 -47.84 74.73 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.338 -0.846 . . . . 10.0 109.309 178.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -59.97 -43.18 95.24 Favored 'General case' 0 C--O 1.226 -0.16 0 CA-C-N 116.361 -0.381 . . . . 10.0 110.493 179.347 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 61.3 mt -63.12 -39.17 93.89 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.312 -0.625 . . . . 10.0 109.312 178.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 32.0 t60 -64.22 -46.42 83.95 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 108.787 -0.82 . . . . 10.0 108.787 178.356 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -61.43 -41.74 97.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.34 -0.845 . . . . 10.0 109.739 178.498 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 30.8 mt -66.37 -48.18 70.98 Favored 'General case' 0 C--O 1.216 -0.699 0 CA-C-N 115.434 -0.803 . . . . 10.0 111.1 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -59.6 -35.72 74.87 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.915 0.388 . . . . 10.0 110.975 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -72.4 3.76 4.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.733 -0.667 . . . . 10.0 110.988 179.011 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 495' ' ' LYS . . . . . 0.861 ' HE3' HD22 ' A' ' 279' ' ' LEU . 49.8 mttp -126.87 -45.59 1.59 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.857 -0.611 . . . . 10.0 109.734 178.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 98.9 mt -56.13 -35.14 66.77 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 116.171 -0.468 . . . . 10.0 112.176 -179.322 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 497' ' ' SER . . . . . 0.417 ' HB2' ' CD ' ' D' ' 498' ' ' PRO . 3.2 m -79.22 -62.84 0.42 Allowed Pre-proline 0 C--N 1.324 -0.519 0 CA-C-O 119.371 -0.347 . . . . 10.0 111.915 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 498' ' ' PRO . . . . . 0.417 ' CD ' ' HB2' ' D' ' 497' ' ' SER . 20.7 Cg_endo -60.43 -49.53 8.86 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 122.245 1.964 . . . . 10.0 112.556 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 499' ' ' LEU . . . . . 0.826 HD21 ' HG2' ' A' ' 275' ' ' LYS . 96.8 mt -71.84 -26.14 62.25 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-O 120.743 0.306 . . . . 10.0 110.213 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -65.04 -51.29 52.26 Favored Glycine 0 N--CA 1.446 -0.684 0 N-CA-C 110.017 -1.233 . . . . 10.0 110.017 178.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -66.13 -34.13 77.35 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 109.464 -0.569 . . . . 10.0 109.464 178.475 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 502' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -64.6 -49.33 71.55 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.721 -0.672 . . . . 10.0 109.581 178.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 52.9 mmm -62.22 -39.01 91.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.008 -0.542 . . . . 10.0 109.828 179.098 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 504' ' ' ARG . . . . . 0.504 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 67.8 mtt180 -66.94 -39.65 87.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.685 179.307 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 505' ' ' ASP . . . . . 0.532 ' HA ' ' HD2' ' D' ' 508' ' ' ARG . 28.1 t70 -68.91 -41.01 78.8 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 110.035 -0.357 . . . . 10.0 110.035 178.72 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 506' ' ' ARG . . . . . 0.573 ' HD3' ' HG2' ' A' ' 268' ' ' GLU . 12.3 mtm180 -64.82 -34.37 78.2 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.03 -0.73 . . . . 10.0 109.03 178.197 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -66.38 -38.97 88.75 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 108.707 -0.849 . . . . 10.0 108.707 177.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 508' ' ' ARG . . . . . 0.532 ' HD2' ' HA ' ' D' ' 505' ' ' ASP . 75.7 mtt180 -60.26 -45.4 93.39 Favored 'General case' 0 C--O 1.224 -0.281 0 N-CA-C 108.536 -0.913 . . . . 10.0 108.536 178.105 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -60.25 -33.64 72.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.46 -0.791 . . . . 10.0 111.066 179.278 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 510' ' ' HIS . . . . . 0.41 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 4.5 m-70 -77.49 -48.35 17.3 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.051 0.453 . . . . 10.0 110.71 179.439 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 511' ' ' VAL . . . . . 0.462 ' O ' ' HG3' ' D' ' 515' ' ' ARG . 91.0 t -63.73 -45.26 97.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.68 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 512' ' ' ASP . . . . . 0.624 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 21.5 t70 -64.08 -32.97 74.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.002 0.43 . . . . 10.0 110.235 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -68.45 -45.13 73.34 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 108.519 -0.919 . . . . 10.0 108.519 177.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 514' ' ' LEU . . . . . 0.781 ' HA ' ' HB2' ' D' ' 517' ' ' HIS . 86.9 mt -60.55 -27.19 67.47 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.787 -0.642 . . . . 10.0 110.952 179.324 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 515' ' ' ARG . . . . . 0.624 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 84.4 mtt180 -65.3 -28.81 69.58 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.404 0.621 . . . . 10.0 109.546 178.515 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.6 12.97 24.08 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.668 -0.696 . . . . 10.0 109.578 179.095 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 517' ' ' HIS . . . . . 0.781 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 16.3 m170 -119.58 -67.02 1.01 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.697 -0.683 . . . . 10.0 111.042 -179.577 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 67.3 mt -73.85 -45.43 51.16 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.789 -0.642 . . . . 10.0 112.144 -178.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 519' ' ' ALA . . . . . 0.65 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -54.12 -56.07 29.93 Favored Pre-proline 0 CA--C 1.537 0.476 0 N-CA-C 112.6 0.592 . . . . 10.0 112.6 -179.504 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 520' ' ' PRO . . . . . 0.65 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 36.1 Cg_exo -64.84 -37.95 32.44 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.032 1.821 . . . . 10.0 111.581 178.806 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -64.77 -40.2 94.87 Favored 'General case' 0 C--O 1.225 -0.209 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.982 -179.333 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 1.8 p -65.74 -31.67 72.8 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.535 -0.466 . . . . 10.0 109.766 179.324 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.08 -43.3 74.83 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.078 -0.712 . . . . 10.0 109.078 178.483 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -67.64 -36.05 80.04 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 109.084 -0.71 . . . . 10.0 109.084 178.213 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 525' ' ' LEU . . . . . 0.42 ' HA ' HD23 ' D' ' 525' ' ' LEU . 8.0 mt -61.62 -41.43 97.46 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-N 115.537 -0.756 . . . . 10.0 109.348 178.047 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 526' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' D' ' 526' ' ' ARG . 56.3 mtt180 -61.91 -37.44 84.63 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 115.926 -0.579 . . . . 10.0 109.99 178.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -62.28 -35.57 79.41 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.191 0.52 . . . . 10.0 109.687 178.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 528' ' ' ARG . . . . . 0.606 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 79.9 mtt180 -78.33 -43.27 28.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.642 -0.708 . . . . 10.0 109.265 178.658 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 75.0 mt -60.81 -38.5 85.6 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.491 -0.777 . . . . 10.0 111.089 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -61.3 -36.23 79.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.976 0.417 . . . . 10.0 110.232 178.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -74.81 -42.68 57.61 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.603 -0.726 . . . . 10.0 109.203 178.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -61.04 -45.57 94.23 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-N 115.709 -0.678 . . . . 10.0 109.174 178.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 84.9 mt -65.3 -36.06 82.93 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 115.812 -0.631 . . . . 10.0 110.213 178.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 534' ' ' GLU . . . . . 0.524 ' HA ' ' HE3' ' D' ' 537' ' ' LYS . 22.7 tt0 -64.85 -40.77 95.69 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 108.926 -0.768 . . . . 10.0 108.926 178.643 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 535' ' ' ALA . . . . . 0.472 ' O ' ' HB2' ' D' ' 539' ' ' ASN . . . -63.84 -38.36 90.79 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.776 -0.824 . . . . 10.0 108.776 177.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 81.0 mt -71.21 -21.72 62.1 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.501 -0.772 . . . . 10.0 110.869 179.094 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 537' ' ' LYS . . . . . 0.524 ' HE3' ' HA ' ' D' ' 534' ' ' GLU . 45.0 mtmt -82.01 -45.76 14.88 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.937 -0.764 . . . . 10.0 108.937 178.089 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -64.16 -45.66 87.44 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.591 -0.731 . . . . 10.0 109.096 178.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 539' ' ' ASN . . . . . 0.472 ' HB2' ' O ' ' D' ' 535' ' ' ALA . 1.9 m-20 -71.83 -33.22 68.31 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-N 115.345 -0.843 . . . . 10.0 109.291 178.72 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -64.19 -51.52 52.11 Favored Glycine 0 N--CA 1.446 -0.679 0 N-CA-C 111.045 -0.822 . . . . 10.0 111.045 179.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -59.29 -41.6 96.92 Favored Glycine 0 N--CA 1.452 -0.292 0 N-CA-C 111.254 -0.738 . . . . 10.0 111.254 179.027 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -66.24 -52.0 52.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.548 0.213 . . . . 10.0 110.623 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 543' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' D' ' 543' ' ' ARG . 55.8 mtt180 -60.84 -33.17 72.64 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.432 -0.349 . . . . 10.0 111.332 179.67 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 20.9 mt -66.09 -44.04 85.55 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.197 -0.668 . . . . 10.0 109.197 177.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -63.27 -39.7 95.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.768 -0.651 . . . . 10.0 109.419 178.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 -65.85 -43.1 89.46 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 115.667 -0.697 . . . . 10.0 109.292 178.278 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -63.01 -36.35 83.25 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.821 -0.627 . . . . 10.0 110.447 179.177 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 26.3 m-70 -69.35 -43.34 73.84 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.573 -0.528 . . . . 10.0 109.573 178.326 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -63.6 -46.88 83.77 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.902 -0.59 . . . . 10.0 109.695 178.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 550' ' ' LYS . . . . . 0.452 ' HD3' HG22 ' A' ' 224' ' ' VAL . 0.0 OUTLIER -63.0 -35.74 81.23 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.462 -0.79 . . . . 10.0 109.818 179.063 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -59.68 -46.71 88.25 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 109.622 -0.51 . . . . 10.0 109.622 178.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.5 -45.99 77.74 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 116.253 -0.43 . . . . 10.0 110.399 178.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -58.63 -49.99 75.48 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 116.399 -0.364 . . . . 10.0 110.574 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 23.5 t60 -63.29 -38.33 90.73 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.868 -0.606 . . . . 10.0 109.798 179.126 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 25.6 tp -63.34 -43.92 96.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 10.0 111.002 179.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.15 -41.68 97.19 Favored 'General case' 0 C--N 1.333 -0.119 0 C-N-CA 121.107 -0.237 . . . . 10.0 110.97 179.316 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -72.44 -30.07 64.26 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 120.767 0.318 . . . . 10.0 110.313 179.263 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 558' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' D' ' 558' ' ' LEU . 19.4 mt -62.36 -48.41 79.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.453 . . . . 10.0 110.06 178.582 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.03 -35.1 74.07 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 109.335 -0.617 . . . . 10.0 109.335 178.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -64.11 -27.51 69.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.32 -0.855 . . . . 10.0 109.922 179.036 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.49 18.57 20.22 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.334 179.193 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -119.96 -46.44 2.43 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 115.862 -0.608 . . . . 10.0 110.693 179.068 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 563' ' ' LYS . . . . . 0.417 ' HB2' ' HD3' ' D' ' 564' ' ' PRO . 94.8 mttt -58.69 -62.99 4.62 Favored Pre-proline 0 C--N 1.331 -0.212 0 N-CA-C 111.853 0.316 . . . . 10.0 111.853 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 564' ' ' PRO . . . . . 0.417 ' HD3' ' HB2' ' D' ' 563' ' ' LYS . 44.6 Cg_endo -67.71 -29.46 35.85 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 121.52 1.48 . . . . 10.0 111.316 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -66.77 -56.0 12.47 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.357 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 75.1 mt -60.25 -39.7 87.69 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-O 120.755 0.312 . . . . 10.0 110.219 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -60.69 -55.62 31.08 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.145 -0.479 . . . . 10.0 110.458 178.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -62.18 -42.71 99.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.401 -0.363 . . . . 10.0 110.987 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 76.1 mt -58.7 -45.57 89.22 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.576 -0.283 . . . . 10.0 110.793 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 570' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' D' ' 570' ' ' ARG . 64.0 mtt180 -69.54 -39.25 77.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.422 -0.353 . . . . 10.0 110.29 179.449 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -63.47 -22.78 67.08 Favored 'General case' 0 CA--C 1.521 -0.152 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.023 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -95.94 -30.76 7.72 Favored Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 110.849 -0.9 . . . . 10.0 110.849 178.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 573' ' ' LEU . . . . . 0.466 ' O ' ' HG ' ' D' ' 577' ' ' LEU . 14.2 mt -67.68 -47.28 69.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.59 -0.305 . . . . 10.0 111.277 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 574' ' ' LEU . . . . . 0.457 ' O ' ' HG2' ' D' ' 578' ' ' GLU . 91.1 mt -50.31 -59.44 7.14 Favored Pre-proline 0 CA--C 1.537 0.463 0 N-CA-C 112.987 0.736 . . . . 10.0 112.987 -179.375 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -66.4 -37.01 24.88 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 121.794 1.663 . . . . 10.0 112.175 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 576' ' ' VAL . . . . . 0.432 HG12 ' HA ' ' D' ' 573' ' ' LEU . 0.4 OUTLIER -65.61 -36.43 77.59 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 CA-C-O 120.76 0.314 . . . . 10.0 110.743 -179.843 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 577' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' D' ' 573' ' ' LEU . 61.2 mt -65.16 -42.34 93.85 Favored 'General case' 0 CA--C 1.517 -0.295 0 N-CA-C 109.102 -0.703 . . . . 10.0 109.102 178.714 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 578' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' D' ' 574' ' ' LEU . 36.7 mm-40 -66.25 -38.44 87.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.736 -0.666 . . . . 10.0 109.731 179.14 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 20.1 m -66.09 -44.65 83.78 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.341 -0.615 . . . . 10.0 109.341 178.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -62.79 -32.72 73.94 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 115.898 -0.592 . . . . 10.0 109.682 178.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 581' ' ' LYS . . . . . 0.407 ' O ' ' HG ' ' D' ' 585' ' ' LEU . 82.1 mttt -61.13 -48.19 82.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.005 178.829 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 582' ' ' VAL . . . . . 0.405 HG23 ' O ' ' D' ' 578' ' ' GLU . 40.8 t -59.44 -45.35 93.7 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.354 179.587 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 4.7 m -65.88 -40.19 91.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.507 179.118 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.61 -48.75 71.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.043 179.491 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 585' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' D' ' 581' ' ' LYS . 97.4 mt -56.59 -52.24 65.57 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.624 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 12.2 p -64.16 -33.36 75.6 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 116.377 -0.374 . . . . 10.0 111.065 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 587' ' ' ALA . . . . . 0.447 ' HB2' ' HG2' ' A' ' 396' ' ' LYS . . . -66.52 -58.79 4.49 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.158 -0.312 . . . . 10.0 110.158 179.074 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 588' ' ' LEU . . . . . 0.617 HD22 ' H50' ' D' ' 630' ' ' 17F . 63.3 mt -58.79 -42.81 89.93 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.016 -0.538 . . . . 10.0 111.667 -178.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -63.06 -46.92 85.22 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.438 -0.347 . . . . 10.0 110.865 -179.57 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -69.25 -33.45 73.28 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.855 -0.338 . . . . 10.0 111.708 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 591' ' ' TYR . . . . . 0.66 ' HE1' ' HB3' ' A' ' 392' ' ' GLU . 16.0 m-30 -64.8 -38.12 89.91 Favored 'General case' 0 N--CA 1.462 0.173 0 N-CA-C 109.559 -0.534 . . . . 10.0 109.559 178.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 35.7 m -59.84 -36.05 76.02 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.369 179.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -66.09 -31.32 72.12 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.957 0.408 . . . . 10.0 110.969 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -82.39 -38.71 23.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.967 -0.56 . . . . 10.0 110.51 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 90.8 mt -74.26 -20.02 60.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.811 -0.631 . . . . 10.0 111.629 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 . . . . . 0 C--N 1.325 -0.499 0 CA-C-N 116.12 -0.491 . . . . 10.0 111.173 179.873 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.451 -0.383 0 CA-C-O 120.902 0.382 . . . . 10.0 110.735 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 6.9 m -98.8 141.11 32.01 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.077 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -95.33 140.92 29.52 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.48 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -129.05 114.33 16.26 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.057 -0.52 . . . . 10.0 109.861 179.52 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.457 ' HA ' ' HB3' ' B' ' 54' ' ' ASP . 40.7 mttm -81.96 112.72 19.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.047 -179.639 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.432 ' HA ' ' O ' ' B' ' 77' ' ' GLY . 24.6 mt -119.65 111.75 18.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.69 -179.099 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 22.3 t -95.79 130.86 43.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.849 -0.614 . . . . 10.0 110.495 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.526 HG13 HD23 ' B' ' 79' ' ' LEU . 9.9 t -93.04 111.09 24.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.014 -0.539 . . . . 10.0 109.629 179.742 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 19.7 m -111.69 158.32 12.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.191 -0.459 . . . . 10.0 111.503 -179.305 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' GLY . . . . . 0.482 ' O ' ' HA3' ' B' ' 60' ' ' GLY . . . 142.85 166.66 11.16 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 121.027 -0.606 . . . . 10.0 111.681 -179.702 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.29 170.31 3.05 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.997 0.427 . . . . 10.0 110.929 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.604 ' HA ' ' O1B' ' B' ' 201' ' ' GSP . 0.3 OUTLIER -86.55 140.88 29.47 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.101 0.476 . . . . 10.0 111.493 -179.499 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 13' ' ' GLY . . . . . 1.098 ' HA2' H5'1 ' B' ' 201' ' ' GSP . . . 89.59 8.5 67.75 Favored Glycine 0 N--CA 1.452 -0.27 0 CA-C-N 115.773 -0.648 . . . . 10.0 113.675 179.527 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 32.7 m -87.62 -18.29 8.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 112.655 0.613 . . . . 10.0 112.655 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 110.1 22.29 6.61 Favored Glycine 0 CA--C 1.518 0.271 0 C-N-CA 120.457 -0.877 . . . . 10.0 113.527 179.052 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.4 ' HD2' HG12 ' B' ' 8' ' ' VAL . 15.2 mtmm -62.16 -42.27 99.11 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.116 0.484 . . . . 10.0 110.764 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 17' ' ' SER . . . . . 0.502 ' OG ' ' O3G' ' B' ' 201' ' ' GSP . 20.8 m -79.45 -34.43 41.54 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.997 -179.261 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.71 -49.79 74.11 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.686 -0.487 . . . . 10.0 109.686 178.515 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 13.9 mt -60.02 -44.59 94.5 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.092 -0.504 . . . . 10.0 111.262 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 18.5 m -62.96 -45.46 92.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 10.0 111.574 -179.59 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ILE . . . . . 0.557 HD12 HG21 ' B' ' 29' ' ' VAL . 88.5 mt -68.13 -34.38 66.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.504 -0.317 . . . . 10.0 111.11 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 22' ' ' GLN . . . . . 0.622 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 12.6 mm-40 -69.83 -19.27 63.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.883 0.373 . . . . 10.0 110.299 178.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 20.5 tp -90.21 -36.89 14.5 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.04 -0.527 . . . . 10.0 111.515 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 34.6 mm -87.35 -60.04 2.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.97 0.414 . . . . 10.0 111.851 -179.152 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -89.53 -20.31 23.96 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.377 -0.374 . . . . 10.0 111.527 -179.037 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' ASN . . . . . 0.622 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 32.1 m-80 69.06 38.39 1.98 Allowed 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 113.155 0.798 . . . . 10.0 113.155 178.594 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -142.81 153.19 42.99 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.747 -0.381 . . . . 10.0 111.593 179.015 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -87.0 137.66 32.16 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.882 0.372 . . . . 10.0 111.274 -179.455 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.557 HG21 HD12 ' B' ' 21' ' ' ILE . 0.6 OUTLIER -110.58 103.69 15.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.822 -0.626 . . . . 10.0 110.929 179.258 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -69.75 -25.43 63.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.81 -0.632 . . . . 10.0 109.698 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.472 ' H ' ' HG2' ' B' ' 31' ' ' GLU . 1.3 mm-40 -78.35 129.23 34.74 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.032 -0.986 . . . . 10.0 110.7 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 32' ' ' TYR . . . . . 0.877 ' CD1' H5'2 ' B' ' 201' ' ' GSP . 82.6 t80 -85.22 127.79 34.43 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.493 -0.321 . . . . 10.0 110.169 179.523 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -122.41 108.9 33.33 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.274 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -68.83 82.81 0.56 Allowed 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 123.212 2.608 . . . . 10.0 111.372 179.477 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.464 ' OG1' ' O3G' ' B' ' 201' ' ' GSP . 0.1 OUTLIER -88.72 119.0 28.8 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.6 -0.727 . . . . 10.0 110.776 -179.842 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.568 ' HA ' ' HB2' ' B' ' 59' ' ' ALA . 25.5 mm -73.09 -45.01 55.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.339 -179.589 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 37' ' ' GLU . . . . . 0.458 ' HG2' HD11 ' B' ' 56' ' ' LEU . 2.5 tt0 -163.84 102.9 0.9 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.367 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -126.88 132.48 50.92 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.494 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.7 p -106.95 148.61 28.44 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.677 0.621 . . . . 10.0 112.677 -178.586 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -133.26 139.6 47.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.704 -0.68 . . . . 10.0 109.877 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -120.92 132.5 54.99 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.609 0.243 . . . . 10.0 110.875 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 73.0 tttt -154.21 137.97 16.16 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.244 -0.435 . . . . 10.0 110.347 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -112.47 118.9 36.43 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.31 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 19.4 m -128.18 176.85 6.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.292 -0.413 . . . . 10.0 111.446 -179.47 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 84.7 t -105.05 114.11 43.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.255 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 48.0 mt -123.79 125.14 70.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.551 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' ASP . . . . . 0.452 ' HA ' ' HB2' ' C' ' 128' ' ' LYS . 13.5 m-20 64.37 17.15 10.61 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.514 -0.766 . . . . 10.0 111.687 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.93 -0.63 62.68 Favored Glycine 0 C--N 1.334 0.439 0 C-N-CA 121.028 -0.606 . . . . 10.0 112.292 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -117.37 136.16 53.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 122.739 -0.271 . . . . 10.0 110.727 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.08 125.29 26.9 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.339 -0.986 . . . . 10.0 108.339 178.697 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 7.6 m -123.84 134.49 53.58 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.929 0.395 . . . . 10.0 111.793 -178.458 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 39.4 tp -93.21 109.81 21.32 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.508 -0.923 . . . . 10.0 108.508 178.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' LEU . . . . . 0.622 HD13 ' HE1' ' B' ' 156' ' ' PHE . 35.3 mt -91.72 123.46 35.13 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 112.666 0.617 . . . . 10.0 112.666 -178.093 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 54' ' ' ASP . . . . . 0.457 ' HB3' ' HA ' ' B' ' 5' ' ' LYS . 20.8 t0 -107.02 86.2 2.27 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.284 -1.006 . . . . 10.0 108.284 178.412 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 9.3 mt -84.9 143.37 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.665 -0.698 . . . . 10.0 111.727 -177.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.458 HD11 ' HG2' ' B' ' 37' ' ' GLU . 46.2 tp -136.5 111.65 9.02 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.354 -0.385 . . . . 10.0 111.333 179.479 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 57' ' ' ASP . . . . . 0.47 ' OD2' ' O3G' ' B' ' 201' ' ' GSP . 9.8 t70 -92.55 114.25 26.75 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.83 -0.804 . . . . 10.0 108.83 179.347 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 3.4 p -114.8 151.62 33.51 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.84 0.352 . . . . 10.0 111.923 -178.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' ALA . . . . . 0.568 ' HB2' ' HA ' ' B' ' 36' ' ' ILE . . . -70.95 132.34 45.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.143 0.497 . . . . 10.0 111.382 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 60' ' ' GLY . . . . . 0.482 ' HA3' ' O ' ' B' ' 10' ' ' GLY . . . -105.56 36.28 4.5 Favored Glycine 0 N--CA 1.447 -0.58 0 N-CA-C 110.932 -0.867 . . . . 10.0 110.932 179.557 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -89.44 8.22 31.97 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.696 0.284 . . . . 10.0 110.94 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 69.19 -169.12 0.18 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.765 -0.652 . . . . 10.0 112.412 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 78.43 -23.89 0.23 Allowed 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 123.435 0.694 . . . . 10.0 111.722 -179.382 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 64' ' ' TYR . . . . . 0.592 ' HB3' ' HB3' ' B' ' 67' ' ' MET . 11.3 m-85 -84.04 47.13 1.27 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.533 -0.303 . . . . 10.0 111.007 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -57.88 -45.71 85.95 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.45 -0.341 . . . . 10.0 111.804 -179.333 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.59 -34.95 19.72 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.247 0.546 . . . . 10.0 111.416 -179.301 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 67' ' ' MET . . . . . 0.592 ' HB3' ' HB3' ' B' ' 64' ' ' TYR . 19.7 ttt -64.26 -37.43 87.46 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.793 -0.64 . . . . 10.0 111.437 -179.682 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 68' ' ' ARG . . . . . 0.684 ' HA ' ' CZ ' ' B' ' 71' ' ' TYR . 12.0 ttp180 -59.09 -40.23 84.61 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.025 -0.534 . . . . 10.0 112.398 -179.273 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -55.76 -40.69 72.93 Favored 'General case' 0 C--O 1.225 -0.218 0 N-CA-C 112.544 0.572 . . . . 10.0 112.544 -178.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -58.66 -57.08 14.57 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.501 0.926 . . . . 10.0 113.501 -177.487 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 71' ' ' TYR . . . . . 0.684 ' CZ ' ' HA ' ' B' ' 68' ' ' ARG . 25.3 p90 -72.32 -24.11 61.26 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.296 -0.561 . . . . 10.0 112.25 -179.157 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 72' ' ' MET . . . . . 0.49 ' SD ' ' HG2' ' B' ' 99' ' ' GLN . 29.5 mtt -70.97 -36.21 72.45 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.234 0.54 . . . . 10.0 110.146 178.405 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 45.2 ttm105 -70.61 -39.8 73.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.813 -0.63 . . . . 10.0 110.349 179.01 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 4.4 m -73.99 -27.48 60.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.77 -0.65 . . . . 10.0 111.708 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -75.94 158.98 50.34 Favored Glycine 0 CA--C 1.52 0.361 0 C-N-CA 120.888 -0.672 . . . . 10.0 113.597 -179.061 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -114.71 -54.48 2.57 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.296 -0.631 . . . . 10.0 109.296 179.635 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 77' ' ' GLY . . . . . 0.432 ' O ' ' HA ' ' B' ' 6' ' ' LEU . . . -106.73 139.75 14.99 Favored Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 110.174 -1.17 . . . . 10.0 110.174 178.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 78' ' ' PHE . . . . . 0.592 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 96.9 m-85 -116.57 130.1 56.55 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.246 0.546 . . . . 10.0 112.389 -178.521 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.526 HD23 HG13 ' B' ' 8' ' ' VAL . 13.2 tp -98.86 91.23 4.97 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.424 -0.807 . . . . 10.0 109.572 179.689 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 35.1 m -84.01 95.76 8.66 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.097 0.475 . . . . 10.0 110.412 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 25.4 t -98.77 131.87 45.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.465 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 82' ' ' PHE . . . . . 0.541 ' HB3' HD11 ' B' ' 93' ' ' ILE . 33.7 p90 -133.1 160.37 37.38 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.146 -0.479 . . . . 10.0 109.815 178.752 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.445 ' HB3' ' HB3' ' B' ' 86' ' ' ASN . . . -101.86 126.57 48.77 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.67 -0.493 . . . . 10.0 109.67 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 33.2 pt -65.38 -11.04 11.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 112.333 0.494 . . . . 10.0 112.333 -179.272 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -103.82 -5.08 22.75 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.765 0.317 . . . . 10.0 111.01 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.445 ' HB3' ' HB3' ' B' ' 83' ' ' ALA . 24.4 t-20 -120.2 105.71 11.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.602 -179.142 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 27.5 m -61.13 -38.5 86.6 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.47 0.545 . . . . 10.0 112.47 -179.178 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -56.68 -44.54 81.52 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.062 0.393 . . . . 10.0 112.062 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 93.3 p -64.51 -29.88 70.91 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.694 0.283 . . . . 10.0 111.426 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -76.04 -34.4 59.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.05 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -71.91 -40.76 68.58 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.978 -0.555 . . . . 10.0 110.624 179.497 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.14 -21.55 59.52 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.48 -0.782 . . . . 10.0 112.617 -179.129 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 93' ' ' ILE . . . . . 0.541 HD11 ' HB3' ' B' ' 82' ' ' PHE . 49.5 mm -54.79 -50.71 58.74 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-O 120.777 0.322 . . . . 10.0 111.284 -179.684 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -63.85 -35.4 80.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 10.0 110.794 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 51.4 m80 -63.36 -41.5 98.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.484 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 96' ' ' TYR . . . . . 0.411 ' HE2' ' HA2' ' B' ' 10' ' ' GLY . 22.8 m-85 -68.67 -45.48 71.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.132 -0.486 . . . . 10.0 110.897 179.528 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 97' ' ' ARG . . . . . 0.459 ' HD3' ' HE2' ' B' ' 101' ' ' LYS . 2.1 tmt_? -54.14 -44.1 71.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.008 -0.542 . . . . 10.0 111.408 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -67.45 -36.75 81.8 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.358 -0.383 . . . . 10.0 111.951 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 99' ' ' GLN . . . . . 0.534 ' O ' HG23 ' B' ' 103' ' ' VAL . 27.2 tt0 -69.84 -48.64 58.14 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 110.267 -0.272 . . . . 10.0 110.267 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 83.9 mt -54.03 -49.54 60.01 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 O-C-N 123.547 0.529 . . . . 10.0 111.18 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 101' ' ' LYS . . . . . 0.475 ' HB2' ' HE3' ' B' ' 101' ' ' LYS . 26.5 mtmt -64.59 -23.72 67.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.665 -0.698 . . . . 10.0 111.945 -179.481 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 9.2 tmm_? -81.6 -41.58 21.32 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.306 -0.406 . . . . 10.0 111.374 -179.517 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 103' ' ' VAL . . . . . 0.534 HG23 ' O ' ' B' ' 99' ' ' GLN . 25.8 t -63.34 -53.4 46.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.27 -0.423 . . . . 10.0 111.93 -179.205 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -83.46 -8.66 59.33 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.497 -0.319 . . . . 10.0 111.843 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 38.7 t70 54.02 70.44 0.6 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.915 -0.584 . . . . 10.0 111.657 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 17.6 t -166.08 153.15 9.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.639 -0.71 . . . . 10.0 109.558 179.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 22.3 tp10 -100.52 -5.53 26.78 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.262 0.553 . . . . 10.0 109.646 179.514 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -112.73 95.04 5.2 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.803 -0.635 . . . . 10.0 111.23 -179.576 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 0.405 ' HA ' ' HD3' ' B' ' 110' ' ' PRO . 23.3 t -128.29 126.84 23.7 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 109.398 -0.593 . . . . 10.0 109.398 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 110' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 26.9 Cg_exo -64.39 109.24 1.15 Allowed 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 123.117 2.545 . . . . 10.0 111.722 179.386 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 111' ' ' MET . . . . . 0.592 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 52.3 mtm -141.7 159.96 41.15 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.066 -0.515 . . . . 10.0 111.111 -179.376 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 98.8 t -138.86 147.84 24.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 108.662 -0.866 . . . . 10.0 108.662 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 17.0 tp -94.9 113.93 25.71 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.533 -0.543 . . . . 10.0 109.533 179.287 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 37.6 t -105.83 110.09 30.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.326 0.584 . . . . 10.0 112.569 -178.331 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -101.27 103.98 2.65 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 109.984 -1.247 . . . . 10.0 109.984 178.296 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -96.78 170.26 9.3 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.927 0.363 . . . . 10.0 111.624 -178.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 117' ' ' LYS . . . . . 0.799 ' HB3' HD12 ' B' ' 120' ' ' LEU . 96.0 mttt 67.88 27.99 7.12 Favored 'General case' 0 N--CA 1.463 0.188 0 O-C-N 123.645 0.59 . . . . 10.0 111.554 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 86.0 m -71.79 -9.89 58.96 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 112.611 0.597 . . . . 10.0 112.611 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -90.35 -3.2 57.89 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.79 0.329 . . . . 10.0 110.563 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 120' ' ' LEU . . . . . 0.799 HD12 ' HB3' ' B' ' 117' ' ' LYS . 64.8 mt -89.18 142.2 29.81 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 10.0 111.079 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -72.52 163.89 37.22 Favored 'Trans proline' 0 C--O 1.237 0.446 0 C-N-CA 122.544 2.163 . . . . 10.0 112.17 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 51.7 m 55.77 78.66 0.19 Allowed 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 115.598 -0.728 . . . . 10.0 111.667 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -92.6 134.29 35.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.519 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -85.76 -41.22 15.28 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.212 179.524 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 62.0 t -92.25 126.06 44.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.148 0.499 . . . . 10.0 109.97 178.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 126' ' ' ASP . . . . . 0.556 ' OD1' ' HD3' ' B' ' 128' ' ' LYS . 6.8 t0 -89.57 145.56 25.19 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.539 -0.755 . . . . 10.0 110.498 -179.7 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 127' ' ' THR . . . . . 0.651 HG23 ' HE2' ' B' ' 141' ' ' PHE . 5.3 m -59.05 -34.22 71.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.054 0.454 . . . . 10.0 110.962 179.702 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 128' ' ' LYS . . . . . 0.977 ' HB3' ' HA ' ' C' ' 47' ' ' ASP . 7.2 mtpt -61.78 -57.7 10.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.474 -0.785 . . . . 10.0 110.982 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 129' ' ' GLN . . . . . 0.492 ' HG2' ' HB3' ' B' ' 126' ' ' ASP . 4.4 pt20 -62.02 -34.88 77.02 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.934 -0.306 . . . . 10.0 111.71 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.2 -46.97 72.28 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.097 0.475 . . . . 10.0 110.709 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 131' ' ' GLN . . . . . 0.404 ' HG2' ' HD2' ' B' ' 141' ' ' PHE . 0.0 OUTLIER -68.34 -36.11 78.76 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.088 -0.506 . . . . 10.0 111.155 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -67.51 -33.82 75.86 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.072 0.463 . . . . 10.0 109.853 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 26.9 tp -72.04 -42.66 66.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.813 -0.631 . . . . 10.0 109.362 178.226 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.87 -31.34 72.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.956 -0.565 . . . . 10.0 109.868 178.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -63.55 -36.21 83.04 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.69 -0.687 . . . . 10.0 110.101 178.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.2 -39.95 86.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.585 -0.734 . . . . 10.0 110.605 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 137' ' ' TYR . . . . . 0.452 ' HB2' HG12 ' B' ' 139' ' ' ILE . 22.5 m-85 -76.37 -32.76 58.78 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.392 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 91.99 31.66 9.05 Favored Glycine 0 N--CA 1.447 -0.578 0 N-CA-C 110.712 -0.955 . . . . 10.0 110.712 -179.156 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 139' ' ' ILE . . . . . 0.452 HG12 ' HB2' ' B' ' 137' ' ' TYR . 46.5 pt -120.82 159.08 50.28 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.14 -0.53 . . . . 10.0 110.494 -178.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -82.46 158.31 16.92 Favored 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 122.95 2.433 . . . . 10.0 111.852 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 141' ' ' PHE . . . . . 0.651 ' HE2' HG23 ' B' ' 127' ' ' THR . 60.3 t80 -137.15 129.59 29.86 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.196 -0.456 . . . . 10.0 110.716 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 142' ' ' ILE . . . . . 0.529 HD13 ' HA ' ' B' ' 155' ' ' ALA . 3.3 mp -131.96 129.98 60.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.369 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -73.78 114.07 11.64 Favored 'General case' 0 C--N 1.333 -0.131 0 N-CA-C 108.485 -0.931 . . . . 10.0 108.485 178.332 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 6.3 p -111.13 155.4 22.91 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 114.053 1.131 . . . . 10.0 114.053 -177.281 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 145' ' ' SER . . . . . 0.484 ' HB3' ' HB3' ' B' ' 150' ' ' GLN . 16.2 t -149.04 98.56 2.85 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 106.993 -1.484 . . . . 10.0 106.993 177.739 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -59.54 -35.18 73.72 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.015 0.436 . . . . 10.0 111.589 -179.035 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -58.28 -43.29 87.94 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.668 -0.696 . . . . 10.0 111.391 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.83 5.44 43.45 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.358 -0.383 . . . . 10.0 112.032 -178.537 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 149' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' B' ' 149' ' ' ARG . 5.7 tpt180 57.29 29.57 17.01 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 121.74 0.781 . . . . 10.0 110.316 -179.009 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 150' ' ' GLN . . . . . 0.484 ' HB3' ' HB3' ' B' ' 145' ' ' SER . 50.7 tt0 -89.04 120.69 30.67 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.406 -0.815 . . . . 10.0 111.348 -178.731 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 76.03 -9.56 18.16 Favored Glycine 0 C--N 1.332 0.341 0 CA-C-N 115.545 -0.752 . . . . 10.0 113.549 178.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 97.0 t -55.22 -41.22 59.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 112.123 0.416 . . . . 10.0 112.123 -179.092 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -71.43 -57.45 4.42 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 112.029 0.381 . . . . 10.0 112.029 -179.106 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -56.92 -42.07 79.32 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.619 0.6 . . . . 10.0 112.619 -178.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 155' ' ' ALA . . . . . 0.529 ' HA ' HD13 ' B' ' 142' ' ' ILE . . . -57.5 -53.62 56.09 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 120.922 0.391 . . . . 10.0 112.008 -179.5 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 156' ' ' PHE . . . . . 0.622 ' HE1' HD13 ' B' ' 53' ' ' LEU . 0.8 OUTLIER -66.08 -38.87 89.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.431 -0.35 . . . . 10.0 111.059 -179.479 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -61.3 -48.8 79.73 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.975 -0.557 . . . . 10.0 111.479 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 25.4 m -61.28 -35.35 77.09 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.055 0.391 . . . . 10.0 112.055 -179.57 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 56.8 tp -60.02 -44.56 94.53 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.742 0.306 . . . . 10.0 111.284 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 21.7 t -67.89 -36.11 74.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.019 0.437 . . . . 10.0 110.246 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 161' ' ' ARG . . . . . 0.625 ' HB3' ' HG3' ' C' ' 135' ' ' ARG . 85.2 mtm-85 -64.42 -32.6 74.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.777 -0.647 . . . . 10.0 111.388 179.521 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -61.88 -38.35 87.99 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.959 -0.385 . . . . 10.0 109.959 178.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 73.5 mt -67.89 -45.46 83.97 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.107 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 3.3 mtt85 -64.58 -44.25 91.29 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.709 179.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 8.8 ttmt -60.2 -45.2 93.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.654 -0.703 . . . . 10.0 110.813 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 14.3 t-80 -57.34 -49.08 77.29 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.982 -0.554 . . . . 10.0 111.315 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -67.23 -41.07 86.31 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.183 0.438 . . . . 10.0 112.183 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -64.41 -50.12 68.84 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.068 0.461 . . . . 10.0 111.888 -179.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 169' ' ' LYS . . . . . 0.415 ' HE2' ' HB3' ' B' ' 169' ' ' LYS . 41.3 mtpt -76.07 -16.0 60.0 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.889 0.7 . . . . 10.0 112.889 -178.326 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 6.4 mmm -71.15 -18.53 62.5 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-O 120.922 0.391 . . . . 10.0 111.592 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.98 -11.53 60.81 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.963 0.411 . . . . 10.0 111.273 -179.543 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 22.9 mtpt -120.98 16.67 11.71 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.292 -0.413 . . . . 10.0 110.521 -179.416 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 173' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -69.06 -51.36 39.62 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.698 0.629 . . . . 10.0 112.698 -178.438 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . -68.56 -65.77 2.53 Favored Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 120.649 -0.786 . . . . 10.0 111.411 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 175' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.86 133.89 1.59 Allowed 'General case' 0 C--O 1.238 0.458 0 C-N-CA 122.458 0.303 . . . . 10.0 110.277 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 176' ' ' LYS . . . . . 0.422 ' HE2' ' HA ' ' B' ' 176' ' ' LYS . 0.0 OUTLIER -143.3 -60.77 0.42 Allowed 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 121.055 -0.258 . . . . 10.0 111.448 179.488 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 177' ' ' LYS . . . . . . . . . . . . . 23.3 tptp -138.4 -53.32 0.61 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.493 -0.321 . . . . 10.0 110.82 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? 64.67 -159.05 0.29 Allowed 'General case' 0 C--O 1.233 0.198 0 O-C-N 123.805 0.691 . . . . 10.0 110.68 -179.33 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 179' ' ' LYS . . . . . 0.777 ' HA ' ' HE3' ' B' ' 179' ' ' LYS . 0.0 OUTLIER -117.92 -130.41 0.3 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.81 0.338 . . . . 10.0 111.779 179.868 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 49.1 pttt -136.23 149.58 48.59 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.466 -0.333 . . . . 10.0 110.808 -178.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 181' ' ' SER . . . . . 0.558 ' HB2' ' H51' ' B' ' 206' ' ' PCW . 19.2 m -90.3 -40.21 12.27 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.478 -0.564 . . . . 10.0 109.478 178.404 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 182' ' ' LYS . . . . . 0.572 ' HB2' ' O1P' ' B' ' 206' ' ' PCW . 30.6 mtmm -133.74 162.61 31.52 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.71 -0.677 . . . . 10.0 110.197 179.564 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -92.15 4.94 52.1 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.191 -0.459 . . . . 10.0 111.191 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 184' ' ' LYS . . . . . 0.486 ' O ' ' H12' ' B' ' 206' ' ' PCW . 6.7 ptpt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.22 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 C--O 1.233 0.209 0 CA-C-O 120.907 0.384 . . . . 10.0 110.517 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 7.3 m -105.82 138.89 41.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.727 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -92.72 127.19 38.13 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.277 -0.638 . . . . 10.0 109.277 179.588 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -118.38 119.84 35.81 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.643 -0.503 . . . . 10.0 109.643 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -86.86 121.08 28.85 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.742 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 6' ' ' LEU . . . . . 0.677 HD11 ' HB3' ' C' ' 53' ' ' LEU . 0.1 OUTLIER -123.93 122.96 39.34 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.413 -0.358 . . . . 10.0 111.332 -178.592 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 48.5 t -110.22 129.66 64.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 110.09 -0.337 . . . . 10.0 110.09 179.197 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 1.3 t -95.89 107.83 20.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.787 0.327 . . . . 10.0 110.539 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 21.4 m -106.03 146.54 12.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.81 0.338 . . . . 10.0 111.333 -179.418 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 159.58 173.67 28.35 Favored Glycine 0 N--CA 1.442 -0.905 0 N-CA-C 111.378 -0.689 . . . . 10.0 111.378 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.21 -176.05 5.38 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.201 0.524 . . . . 10.0 111.633 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.9 146.46 26.71 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.239 -0.437 . . . . 10.0 110.577 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 13' ' ' GLY . . . . . 0.495 ' HA2' H5'1 ' C' ' 201' ' ' GSP . . . 81.68 5.0 90.21 Favored Glycine 0 CA--C 1.521 0.414 0 C-N-CA 121.108 -0.568 . . . . 10.0 113.613 179.303 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 14' ' ' VAL . . . . . 0.492 ' CG2' ' HG3' ' C' ' 16' ' ' LYS . 27.7 m -77.45 -42.95 30.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 117.261 0.53 . . . . 10.0 112.204 179.759 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 15' ' ' GLY . . . . . 0.843 ' HA2' ' H8 ' ' C' ' 201' ' ' GSP . . . 126.47 11.63 3.66 Favored Glycine 0 C--N 1.333 0.381 0 C-N-CA 120.407 -0.902 . . . . 10.0 114.201 178.723 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 16' ' ' LYS . . . . . 0.492 ' HG3' ' CG2' ' C' ' 14' ' ' VAL . 7.2 mtmt -54.85 -39.98 69.16 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.34 0.496 . . . . 10.0 112.34 -179.54 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 17' ' ' SER . . . . . 0.475 ' HB2' ' PA ' ' C' ' 201' ' ' GSP . 51.1 m -72.64 -48.03 42.75 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 110.151 -0.314 . . . . 10.0 110.151 -179.672 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.24 -44.16 88.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.953 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 45.5 mt -62.93 -39.18 93.81 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.534 179.435 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 49.3 m -69.32 -47.95 62.92 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.893 -0.594 . . . . 10.0 110.726 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 78.1 mt -61.08 -37.95 78.52 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 CA-C-O 120.886 0.374 . . . . 10.0 110.398 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 22' ' ' GLN . . . . . 0.527 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 1.0 OUTLIER -65.77 -40.1 91.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.29 -0.414 . . . . 10.0 110.908 179.325 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.44 HD13 HG12 ' C' ' 152' ' ' VAL . 4.3 tp -81.74 -15.14 55.29 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 112.109 0.411 . . . . 10.0 112.109 -179.24 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 24' ' ' ILE . . . . . 0.443 HD11 HD12 ' C' ' 55' ' ' ILE . 25.8 mm -101.4 -58.03 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 112.372 0.508 . . . . 10.0 112.372 -179.355 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -97.39 -9.61 27.05 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.404 0.52 . . . . 10.0 112.404 -177.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 26' ' ' ASN . . . . . 0.527 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 67.9 m-20 69.63 44.13 0.92 Allowed 'General case' 0 C--O 1.234 0.285 0 N-CA-C 113.713 1.005 . . . . 10.0 113.713 178.425 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 9.0 p80 -157.05 148.19 21.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.889 0.376 . . . . 10.0 111.248 178.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -98.34 134.54 41.2 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.79 -0.641 . . . . 10.0 110.032 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 13.4 m -99.72 142.76 14.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.391 -0.368 . . . . 10.0 110.283 179.418 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -93.07 -24.84 18.17 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.094 0.473 . . . . 10.0 110.907 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -87.85 142.66 27.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.167 -0.47 . . . . 10.0 110.917 179.421 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 32' ' ' TYR . . . . . 0.561 ' CD1' H5'2 ' C' ' 201' ' ' GSP . 1.6 t80 -98.81 114.77 27.47 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.975 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 33' ' ' ASP . . . . . 0.409 ' HA ' ' HD3' ' C' ' 34' ' ' PRO . 8.9 t70 -104.0 119.58 53.89 Favored Pre-proline 0 C--N 1.32 -0.708 0 CA-C-N 115.571 -0.74 . . . . 10.0 110.134 178.771 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 34' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' C' ' 33' ' ' ASP . 31.4 Cg_exo -61.34 99.71 0.17 Allowed 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 123.398 2.732 . . . . 10.0 111.391 179.636 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.15 126.69 31.07 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.285 -0.87 . . . . 10.0 111.101 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 36' ' ' ILE . . . . . 0.506 ' HA ' ' HB2' ' C' ' 59' ' ' ALA . 49.8 mm -93.43 -44.47 13.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 108.559 -0.904 . . . . 10.0 108.559 178.334 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 37' ' ' GLU . . . . . 0.671 ' HG3' HG22 ' C' ' 58' ' ' THR . 8.6 tt0 176.67 99.58 0.02 OUTLIER 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.25 -0.886 . . . . 10.0 109.86 178.699 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -124.03 138.4 54.46 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.299 -0.41 . . . . 10.0 110.555 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 3.0 p -119.12 151.4 38.36 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.147 -0.479 . . . . 10.0 111.884 -179.255 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -144.2 139.77 28.91 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.626 -0.715 . . . . 10.0 110.417 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 41' ' ' ARG . . . . . 0.504 ' HA ' ' O ' ' C' ' 53' ' ' LEU . 1.6 mpp_? -111.93 129.69 56.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 10.0 111.085 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -141.4 138.55 33.05 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.989 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -106.44 125.61 51.22 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.824 -0.625 . . . . 10.0 110.105 179.688 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 2.5 m -138.35 162.84 29.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.591 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 42.2 t -96.98 93.79 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.061 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 46' ' ' ILE . . . . . 0.439 HG22 ' OD2' ' C' ' 47' ' ' ASP . 19.5 mt -93.3 107.75 19.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.951 -0.568 . . . . 10.0 111.108 -179.094 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 47' ' ' ASP . . . . . 0.977 ' HA ' ' HB3' ' B' ' 128' ' ' LYS . 1.5 m-20 61.23 23.63 13.83 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.124 -0.944 . . . . 10.0 112.051 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.05 -5.69 68.71 Favored Glycine 0 N--CA 1.451 -0.363 0 N-CA-C 111.068 -0.813 . . . . 10.0 111.068 -179.213 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -101.66 112.18 24.67 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.669 -0.493 . . . . 10.0 109.669 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.38 119.04 10.25 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.834 -0.432 . . . . 10.0 109.834 179.476 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 26.8 m -123.5 136.08 54.38 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 112.838 0.681 . . . . 10.0 112.838 -178.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 55.9 tp -98.44 108.92 21.73 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 106.97 -1.493 . . . . 10.0 106.97 177.625 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 53' ' ' LEU . . . . . 0.677 ' HB3' HD11 ' C' ' 6' ' ' LEU . 38.9 mt -91.07 128.84 37.05 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 113.96 1.096 . . . . 10.0 113.96 -177.213 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 59.2 t0 -109.56 88.97 2.87 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 107.453 -1.314 . . . . 10.0 107.453 177.585 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 55' ' ' ILE . . . . . 0.554 HG12 HD12 ' C' ' 6' ' ' LEU . 3.7 mt -85.94 141.83 13.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.417 -0.81 . . . . 10.0 111.079 -178.012 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 56' ' ' LEU . . . . . 0.611 HD11 ' HG2' ' C' ' 37' ' ' GLU . 39.5 tp -140.58 110.32 6.42 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.488 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -95.2 101.33 13.07 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 109.039 -0.726 . . . . 10.0 109.039 177.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 58' ' ' THR . . . . . 0.671 HG22 ' HG3' ' C' ' 37' ' ' GLU . 76.8 p -85.79 167.05 15.56 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.731 -0.668 . . . . 10.0 111.392 -178.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 59' ' ' ALA . . . . . 0.506 ' HB2' ' HA ' ' C' ' 36' ' ' ILE . . . -68.58 141.52 55.43 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.884 -0.598 . . . . 10.0 111.008 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -118.39 40.69 2.22 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.755 -0.736 . . . . 10.0 112.456 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 61' ' ' GLN . . . . . 0.437 ' HB2' ' OH ' ' C' ' 64' ' ' TYR . 78.2 mt-30 -104.59 7.68 35.14 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.811 0.338 . . . . 10.0 110.929 179.703 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 62' ' ' GLU . . . . . 0.495 ' HB3' ' H ' ' C' ' 63' ' ' GLU . 8.2 mm-40 58.19 -157.96 0.3 Allowed 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.778 -0.646 . . . . 10.0 112.343 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 63' ' ' GLU . . . . . 0.495 ' H ' ' HB3' ' C' ' 62' ' ' GLU . 3.6 tt0 77.25 -53.29 0.55 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.81 -0.632 . . . . 10.0 112.008 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 64' ' ' TYR . . . . . 0.437 ' OH ' ' HB2' ' C' ' 61' ' ' GLN . 0.2 OUTLIER -84.82 68.57 10.51 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.09 0.471 . . . . 10.0 112.079 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 9.2 m -67.71 -27.6 66.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.265 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -72.56 -28.45 62.83 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.938 -0.574 . . . . 10.0 111.075 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 23.6 ttt -72.52 -32.01 65.78 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.37 0.605 . . . . 10.0 110.614 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 68' ' ' ARG . . . . . 0.565 ' HA ' ' CE1' ' C' ' 71' ' ' TYR . 21.2 ttp180 -75.7 -32.12 59.96 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.013 -0.54 . . . . 10.0 111.451 -179.461 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -57.57 -29.17 64.21 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.084 -0.507 . . . . 10.0 112.291 -179.153 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -72.63 -59.95 2.47 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 113.516 0.932 . . . . 10.0 113.516 -178.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 71' ' ' TYR . . . . . 0.565 ' CE1' ' HA ' ' C' ' 68' ' ' ARG . 24.9 p90 -66.73 -14.42 62.53 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 113.636 0.976 . . . . 10.0 113.636 -178.471 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 26.6 mtt -69.88 -24.8 63.47 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.868 0.365 . . . . 10.0 110.851 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 46.8 mtt180 -80.04 -45.91 17.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.478 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -69.77 -44.11 70.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.532 -0.758 . . . . 10.0 111.757 -179.347 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.27 128.39 36.25 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 121.012 -0.613 . . . . 10.0 113.123 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -79.53 -58.74 3.05 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 109.677 -0.49 . . . . 10.0 109.677 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -112.47 159.77 13.52 Favored Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 111.222 -0.751 . . . . 10.0 111.222 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 78' ' ' PHE . . . . . 0.497 ' HE2' ' HD2' ' C' ' 104' ' ' LYS . 91.8 m-85 -131.68 136.54 47.76 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.819 0.343 . . . . 10.0 110.889 -179.241 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 79' ' ' LEU . . . . . 0.401 HD12 ' HB ' ' C' ' 112' ' ' VAL . 18.3 tp -104.76 116.35 31.88 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.228 -0.442 . . . . 10.0 109.832 179.336 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 80' ' ' CYS . . . . . 0.616 ' HB3' HD12 ' C' ' 93' ' ' ILE . 13.6 m -83.49 101.01 11.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.489 -0.323 . . . . 10.0 110.134 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 94.9 t -103.73 124.48 58.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.086 -0.506 . . . . 10.0 110.946 -179.602 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 26.6 p90 -138.47 158.95 43.28 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.717 -0.475 . . . . 10.0 109.717 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 83' ' ' ALA . . . . . 0.448 ' HB2' ' HA ' ' C' ' 14' ' ' VAL . . . -101.23 131.73 47.09 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.722 -0.473 . . . . 10.0 109.722 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 84' ' ' ILE . . . . . 0.54 HD12 ' HB3' ' C' ' 123' ' ' ARG . 38.1 pt -62.84 -19.62 23.65 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 N-CA-C 112.262 0.467 . . . . 10.0 112.262 -178.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 22.3 p-10 -94.79 3.65 54.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.256 0.55 . . . . 10.0 110.547 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 44.1 t-20 -124.95 95.58 4.55 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.879 -0.601 . . . . 10.0 110.237 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -36.78 84.71 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.043 -0.526 . . . . 10.0 111.836 -179.065 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -60.94 -41.39 96.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.217 -0.447 . . . . 10.0 111.177 -179.546 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 86.9 p -65.22 -24.66 67.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.915 0.388 . . . . 10.0 111.621 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -79.06 -38.38 36.59 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.11 -0.495 . . . . 10.0 110.168 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -71.85 -30.54 65.56 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.298 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -66.24 -21.42 66.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.601 -0.727 . . . . 10.0 111.501 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 93' ' ' ILE . . . . . 0.616 HD12 ' HB3' ' C' ' 80' ' ' CYS . 47.9 mm -56.09 -40.52 64.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.554 -0.294 . . . . 10.0 110.677 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 50.7 t60 -62.76 -50.93 69.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.252 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 47.1 m-70 -58.02 -41.46 83.22 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.696 -0.683 . . . . 10.0 111.104 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 22.1 m-30 -69.83 -42.89 73.04 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.014 -0.539 . . . . 10.0 111.237 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -62.32 -44.55 96.24 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.035 -0.53 . . . . 10.0 111.621 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 98' ' ' GLU . . . . . 0.445 ' HA ' ' HE2' ' C' ' 101' ' ' LYS . 31.6 mm-40 -61.9 -38.24 87.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.401 -0.363 . . . . 10.0 111.15 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -67.2 -41.81 85.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.744 0.306 . . . . 10.0 110.528 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 96.0 mt -54.87 -49.94 65.92 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 CA-C-N 115.773 -0.649 . . . . 10.0 110.632 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 101' ' ' LYS . . . . . 0.445 ' HE2' ' HA ' ' C' ' 98' ' ' GLU . 39.8 mtmt -63.14 -38.97 93.27 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.753 -0.658 . . . . 10.0 111.182 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 102' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' C' ' 102' ' ' ARG . 46.6 ttm105 -63.81 -51.06 66.46 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.909 -0.587 . . . . 10.0 111.907 -179.147 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 53.0 t -68.33 -42.46 84.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 112.604 0.594 . . . . 10.0 112.604 -178.526 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 104' ' ' LYS . . . . . 0.497 ' HD2' ' HE2' ' C' ' 78' ' ' PHE . 30.0 mtpp -82.71 -9.58 59.3 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.641 0.608 . . . . 10.0 112.641 -178.618 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 15.5 t70 56.79 36.38 27.61 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.309 0.576 . . . . 10.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 43.7 t -140.45 135.27 31.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.714 -0.675 . . . . 10.0 110.434 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -86.32 -29.02 23.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.427 0.632 . . . . 10.0 110.061 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -103.32 106.79 17.39 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.618 -0.719 . . . . 10.0 110.781 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 58.5 t -134.58 132.36 20.72 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 115.552 -0.749 . . . . 10.0 109.735 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_exo -58.0 106.73 0.27 Allowed 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.772 2.315 . . . . 10.0 111.603 179.349 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 111' ' ' MET . . . . . . . . . . . . . 63.3 mtm -138.57 149.73 45.59 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.645 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 112' ' ' VAL . . . . . 0.419 HG22 ' HG2' ' C' ' 140' ' ' PRO . 79.1 t -133.83 135.72 54.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 116.149 -0.478 . . . . 10.0 109.742 179.667 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 113' ' ' LEU . . . . . 0.532 ' O ' ' HA ' ' C' ' 141' ' ' PHE . 28.8 tp -97.48 119.86 36.8 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.239 -0.652 . . . . 10.0 109.239 179.454 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 2.1 m -128.82 130.19 68.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-O 120.989 0.423 . . . . 10.0 111.415 -179.443 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -97.11 129.61 9.96 Favored Glycine 0 N--CA 1.445 -0.731 0 N-CA-C 110.835 -0.906 . . . . 10.0 110.835 178.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 116' ' ' ASN . . . . . 0.412 ' ND2' ' HA3' ' C' ' 15' ' ' GLY . 63.5 t30 -101.86 164.5 11.69 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 122.623 -0.339 . . . . 10.0 111.16 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 117' ' ' LYS . . . . . 0.523 ' HE2' ' C4 ' ' C' ' 201' ' ' GSP . 95.8 mttt 62.68 33.2 15.78 Favored 'General case' 0 N--CA 1.463 0.212 0 O-C-N 123.593 0.558 . . . . 10.0 111.549 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 118' ' ' CYS . . . . . 0.486 ' HA ' HD13 ' C' ' 84' ' ' ILE . 78.9 m -72.68 -2.12 18.95 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.647 0.61 . . . . 10.0 112.647 -179.475 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -96.8 -2.9 43.21 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.217 0.532 . . . . 10.0 110.194 179.397 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 120' ' ' LEU . . . . . 0.473 HD12 ' HB3' ' C' ' 117' ' ' LYS . 42.9 mt -93.45 145.98 30.99 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.574 -0.739 . . . . 10.0 110.284 179.558 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -82.34 169.24 14.26 Favored 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 122.796 2.331 . . . . 10.0 112.113 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 3.4 m 58.72 69.87 0.7 Allowed 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.775 -0.648 . . . . 10.0 112.528 179.252 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 123' ' ' ARG . . . . . 0.54 ' HB3' HD12 ' C' ' 84' ' ' ILE . 15.4 ptp180 -89.28 144.85 25.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.068 -0.514 . . . . 10.0 110.085 179.349 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.96 -34.84 15.01 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.778 0.323 . . . . 10.0 110.538 -179.252 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 89.3 t -102.21 117.73 47.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 109.876 -0.416 . . . . 10.0 109.876 178.684 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 126' ' ' ASP . . . . . 0.673 ' OD1' ' HG2' ' C' ' 128' ' ' LYS . 10.9 t70 -73.3 151.71 41.21 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.16 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 3.3 m -58.5 -42.52 87.82 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.576 -0.284 . . . . 10.0 111.143 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 128' ' ' LYS . . . . . 0.673 ' HG2' ' OD1' ' C' ' 126' ' ' ASP . 8.3 pttm -60.22 -42.57 95.46 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 113.434 0.902 . . . . 10.0 113.434 -178.295 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -72.51 -33.34 66.85 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.735 -0.386 . . . . 10.0 111.183 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -70.17 -37.46 75.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.245 0.545 . . . . 10.0 109.629 178.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 131' ' ' GLN . . . . . 0.552 ' HB3' ' CZ ' ' B' ' 161' ' ' ARG . 70.8 mt-30 -69.64 -40.58 76.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.559 -0.746 . . . . 10.0 110.382 179.497 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -59.9 -46.18 90.18 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.302 -0.408 . . . . 10.0 111.376 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 50.8 tp -59.88 -42.46 93.79 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.07 0.462 . . . . 10.0 110.169 179.233 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.89 -35.33 80.33 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.036 179.451 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 135' ' ' ARG . . . . . 0.625 ' HG3' ' HB3' ' B' ' 161' ' ' ARG . 7.1 tmm_? -64.87 -42.53 94.77 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 115.772 -0.649 . . . . 10.0 110.583 179.722 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 17.5 m -64.83 -27.36 68.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.067 0.461 . . . . 10.0 110.532 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 11.2 m-30 -85.45 -39.22 17.76 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.057 -0.52 . . . . 10.0 110.572 178.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 98.59 25.76 9.72 Favored Glycine 0 N--CA 1.448 -0.541 0 N-CA-C 110.975 -0.85 . . . . 10.0 110.975 -179.328 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 47.8 pt -114.91 150.42 44.1 Favored Pre-proline 0 C--N 1.326 -0.44 0 N-CA-C 110.36 -0.237 . . . . 10.0 110.36 -179.365 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 140' ' ' PRO . . . . . 0.419 ' HG2' HG22 ' C' ' 112' ' ' VAL . 57.8 Cg_endo -74.43 147.72 37.04 Favored 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 122.507 2.138 . . . . 10.0 112.044 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 141' ' ' PHE . . . . . 0.532 ' HA ' ' O ' ' C' ' 113' ' ' LEU . 51.9 t80 -128.13 125.88 40.0 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.097 -0.501 . . . . 10.0 110.28 179.659 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 78.4 mt -131.09 129.86 63.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.356 -0.384 . . . . 10.0 110.948 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -79.2 128.18 32.98 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.765 -0.828 . . . . 10.0 108.765 178.172 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 5.3 p -136.37 176.84 8.33 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.902 0.704 . . . . 10.0 112.902 -177.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 6.9 t -161.84 131.87 4.79 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 108.118 -1.068 . . . . 10.0 108.118 178.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -73.48 -27.27 61.3 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.051 0.453 . . . . 10.0 110.977 -179.37 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 49.5 mttt -70.48 -44.06 68.5 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.827 -0.624 . . . . 10.0 111.551 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 53.9 p -82.41 -27.59 31.92 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.646 -179.207 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 149' ' ' ARG . . . . . 0.484 ' HG3' ' O ' ' C' ' 149' ' ' ARG . 12.1 tpt180 67.33 23.09 9.35 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 122.221 1.01 . . . . 10.0 108.729 -178.71 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -89.33 115.57 26.9 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.795 -1.093 . . . . 10.0 111.413 -178.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 77.2 -2.66 60.72 Favored Glycine 0 CA--C 1.52 0.349 0 CA-C-N 116.065 -0.516 . . . . 10.0 113.911 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 152' ' ' VAL . . . . . 0.44 HG12 HD13 ' C' ' 23' ' ' LEU . 37.9 t -66.75 -38.53 81.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.834 0.35 . . . . 10.0 111.482 -179.034 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -66.95 -45.55 77.43 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.096 0.474 . . . . 10.0 110.837 -179.525 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -70.95 -27.47 63.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.974 -0.557 . . . . 10.0 112.02 -178.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -56.91 -45.38 82.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.977 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -73.03 -35.77 66.83 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.125 -0.489 . . . . 10.0 111.093 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -62.4 -47.65 83.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.968 -0.56 . . . . 10.0 111.739 -179.407 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 27.4 m -61.96 -34.87 76.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.57 -0.286 . . . . 10.0 111.323 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 159' ' ' LEU . . . . . 0.431 ' O ' HG13 ' C' ' 163' ' ' ILE . 64.0 tp -60.85 -44.58 96.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.301 0.572 . . . . 10.0 109.538 178.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 78.9 t -67.67 -39.99 83.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.387 -0.824 . . . . 10.0 110.281 179.321 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 54.2 mtm-85 -63.04 -35.23 79.56 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.825 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 47.8 mm-40 -65.34 -34.78 79.12 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.72 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 163' ' ' ILE . . . . . 0.431 HG13 ' O ' ' C' ' 159' ' ' LEU . 54.7 mt -67.7 -42.17 86.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 108.749 -0.834 . . . . 10.0 108.749 178.344 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -61.54 -39.95 92.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.152 -0.931 . . . . 10.0 110.145 179.398 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 28.6 ttmt -62.21 -46.98 86.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.718 -0.674 . . . . 10.0 110.646 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 22.0 t-80 -62.13 -47.24 85.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.973 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -64.2 -26.42 68.51 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.974 0.361 . . . . 10.0 111.974 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -81.67 -44.56 16.97 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.734 -0.469 . . . . 10.0 109.734 178.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -60.84 -35.67 77.15 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.947 -0.569 . . . . 10.0 110.969 179.585 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 83.5 mmm -73.44 -30.27 63.1 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 116.038 -0.528 . . . . 10.0 111.911 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 60.9 m -75.35 -25.85 58.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.074 0.464 . . . . 10.0 111.415 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 172' ' ' LYS . . . . . 0.408 ' HB3' ' HE2' ' C' ' 172' ' ' LYS . 31.3 mtpt -94.52 -11.9 28.68 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.442 -0.345 . . . . 10.0 110.935 179.773 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 173' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 62.61 -170.17 0.18 Allowed 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.755 -0.657 . . . . 10.0 112.002 179.757 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . -135.6 63.11 0.6 Allowed Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.711 -0.757 . . . . 10.0 112.376 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 175' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -77.12 109.57 11.07 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.072 0.463 . . . . 10.0 110.539 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 176' ' ' LYS . . . . . . . . . . . . . 29.3 ttpt -140.77 108.71 5.7 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.853 -0.612 . . . . 10.0 109.787 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 177' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.57 -39.03 88.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.069 -0.514 . . . . 10.0 111.698 -179.471 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 178' ' ' LYS . . . . . . . . . . . . . 4.0 mtmp? 66.37 82.26 0.19 Allowed 'General case' 0 N--CA 1.463 0.201 0 O-C-N 123.78 0.675 . . . . 10.0 111.013 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 179' ' ' LYS . . . . . 0.536 ' HA ' ' O1 ' ' C' ' 215' ' ' 17F . 0.0 OUTLIER -122.72 122.86 39.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.097 0.475 . . . . 10.0 111.551 179.749 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 180' ' ' LYS . . . . . 0.529 ' O ' ' H82' ' B' ' 203' ' ' PCW . 25.2 mmtt -153.34 -179.72 8.0 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.475 -0.784 . . . . 10.0 109.794 179.788 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 181' ' ' SER . . . . . 0.935 ' HA ' ' H52' ' B' ' 203' ' ' PCW . 35.4 t -87.2 -59.6 2.21 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.675 0.274 . . . . 10.0 110.825 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 182' ' ' LYS . . . . . 0.642 ' HD3' ' C11' ' B' ' 203' ' ' PCW . 10.4 pttm -162.23 26.41 0.11 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.076 0.465 . . . . 10.0 110.65 -179.459 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -154.45 73.46 0.91 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.91 -0.586 . . . . 10.0 111.2 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 184' ' ' LYS . . . . . 0.489 ' HB2' ' O5 ' ' C' ' 215' ' ' 17F . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.438 179.414 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 401' ' ' PCW . . . . . 0.912 H462 H242 ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 402' ' ' PCW . . . . . 0.95 ' H73' ' O2P' ' A' ' 410' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 403' ' ' PCW . . . . . 1.224 H282 ' C23' ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 404' ' ' PCW . . . . . 1.085 H421 ' C16' ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 405' ' ' PCW . . . . . 1.012 ' C36' H441 ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 406' ' ' PCW . . . . . 1.065 H472 H262 ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 407' ' ' PCW . . . . . 1.124 H212 ' C17' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 408' ' ' PCW . . . . . 1.113 H231 H231 ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 409' ' ' PCW . . . . . 1.228 ' C19' H142 ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 410' ' ' PCW . . . . . 1.045 H372 H321 ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 411' ' ' PCW . . . . . 1.113 H231 H231 ' A' ' 408' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 412' ' ' PCW . . . . . 0.886 H371 ' H39' ' A' ' 410' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 413' ' ' PCW . . . . . 1.112 H352 H151 ' A' ' 408' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 414' ' ' PCW . . . . . 1.105 H141 ' H62' ' A' ' 415' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 415' ' ' 17F . . . . . 1.105 ' H62' H141 ' A' ' 414' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 416' ' ' 17F . . . . . 1.099 ' H53' H441 ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 417' ' ' PCW . . . . . 1.053 H161 H331 ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 418' ' ' PCW . . . . . 1.04 H422 ' C23' ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 419' ' ' PCW . . . . . 0.984 ' H40' H461 ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 420' ' ' PCW . . . . . 1.053 H331 H161 ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 421' ' ' PCW . . . . . 1.012 H162 ' H57' ' D' ' 630' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 422' ' ' 17F . . . . . 1.068 ' H4A' H132 ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 601' ' ' PCW . . . . . 0.992 H421 H461 ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 602' ' ' PCW . . . . . 0.976 H261 ' H78' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 603' ' ' PCW . . . . . 1.038 ' H41' ' H2 ' ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 604' ' ' PCW . . . . . 0.968 ' C8 ' ' H4A' ' C' ' 219' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 605' ' ' PCW . . . . . 1.07 H211 H382 ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 606' ' ' PCW . . . . . 1.039 H182 H142 ' D' ' 606' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 607' ' ' PCW . . . . . 1.087 H431 H471 ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 608' ' ' PCW . . . . . 1.025 ' H41' H222 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 609' ' ' PCW . . . . . 1.058 H422 H461 ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 610' ' ' PCW . . . . . 0.888 ' H12' ' H6 ' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 611' ' ' PCW . . . . . 0.997 H351 H222 ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 612' ' ' PCW . . . . . 1.118 ' H51' H342 ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 613' ' ' PCW . . . . . 1.04 ' C23' H422 ' A' ' 418' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 614' ' ' PCW . . . . . 1.099 H441 ' H53' ' A' ' 416' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 615' ' ' PCW . . . . . 0.994 H461 H421 ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 616' ' ' PCW . . . . . 1.058 H461 H422 ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 617' ' ' PCW . . . . . 1.011 ' H39' H142 ' D' ' 619' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 618' ' ' PCW . . . . . 1.046 H422 H372 ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 619' ' ' PCW . . . . . 1.011 H142 ' H39' ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 620' ' ' PCW . . . . . 1.024 H211 H482 ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 621' ' ' PCW . . . . . 0.919 H283 ' H35' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 622' ' ' PCW . . . . . 1.1 ' H20' ' H82' ' C' ' 217' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 623' ' ' PCW . . . . . 1.118 H342 ' H51' ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 624' ' ' PCW . . . . . 1.061 H242 H242 ' C' ' 217' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 625' ' ' PCW . . . . . 1.087 H471 H431 ' D' ' 607' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 626' ' ' PCW . . . . . 1.025 H222 ' H41' ' D' ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 627' ' ' PCW . . . . . 1.007 ' H2 ' ' C4 ' ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 628' ' ' 17F . . . . . 1.014 ' H57' H19A ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 629' ' ' 17F . . . . . 1.012 ' H70' ' H36' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 630' ' ' 17F . . . . . 1.012 ' H57' H162 ' A' ' 421' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 631' ' ' 17F . . . . . 1.111 ' H53' H252 ' C' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 632' ' ' 17F . . . . . 1.068 ' H75' H412 ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 201' ' ' GSP . . . . . 1.098 H5'1 ' HA2' ' B' ' 13' ' ' GLY . . . . . . . . 0 O4'--C1' 1.437 1.878 2 O4'-C1'-N19 113.368 5.168 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 202' ' ' ' MG' . . . . . 0.588 'MG ' ' O3G' ' B' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 203' ' ' PCW . . . . . 1.002 H272 ' H71' ' A' ' 416' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 204' ' ' PCW . . . . . 0.989 H231 H272 ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 205' ' ' PCW . . . . . 1.065 H262 H472 ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 206' ' ' PCW . . . . . 1.086 H481 H241 ' D' ' 607' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 207' ' ' PCW . . . . . 0.964 ' H31' ' O4P' ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 208' ' ' PCW . . . . . 1.064 H121 H331 ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 209' ' ' 17F . . . . . 0.988 ' H57' H19A ' B' ' 209' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 210' ' ' 17F . . . . . 0.856 ' H56' H442 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 211' ' ' 17F . . . . . 1.019 ' H66' ' H10' ' B' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 201' ' ' GSP . . . . . 0.843 ' H8 ' ' HA2' ' C' ' 15' ' ' GLY . . . . . . . . 0 O4'--C1' 1.438 1.996 2 O4'-C1'-N19 113.667 5.467 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 202' ' ' ' MG' . . . . . 0.623 'MG ' ' O3G' ' C' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 203' ' ' PCW . . . . . 1.053 H132 H171 ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 204' ' ' PCW . . . . . 1.008 H461 H421 ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 205' ' ' PCW . . . . . 1.078 ' C13' H131 ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 206' ' ' PCW . . . . . 0.92 H242 H381 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 207' ' ' PCW . . . . . 1.1 H151 ' H56' ' C' ' 213' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 208' ' ' PCW . . . . . 1.038 H451 H483 ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 209' ' ' PCW . . . . . 1.078 H131 ' C13' ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 210' ' ' PCW . . . . . 1.111 H252 ' H53' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 211' ' ' PCW . . . . . 1.006 H482 H142 ' C' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 212' ' ' PCW . . . . . 0.954 H241 ' H20' ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 213' ' ' 17F . . . . . 1.1 ' H56' H151 ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 214' ' ' 17F . . . . . 0.834 ' C33' H341 ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 215' ' ' 17F . . . . . 0.949 ' H76' H251 ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 216' ' ' PCW . . . . . 0.91 H442 H341 ' C' ' 217' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 217' ' ' PCW . . . . . 1.1 ' H82' ' H20' ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 218' ' ' 17F . . . . . 1.119 H18A ' O7 ' ' C' ' 218' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 219' ' ' 17F . . . . . 0.968 ' H4A' ' C8 ' ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 34.0 mt . . . . . 0 CA--C 1.517 -0.295 0 CA-C-O 121.506 0.669 . . . . 10.0 109.998 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 21.5 tttm -76.81 -47.58 21.06 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.261 -0.881 . . . . 10.0 110.256 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 79.8 mt -63.23 -38.35 90.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 10.0 111.169 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 27.4 mt -63.55 -34.11 77.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.294 0.569 . . . . 10.0 110.183 179.364 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -72.61 -47.32 48.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.429 -0.805 . . . . 10.0 110.01 179.34 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -61.72 -39.62 92.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.802 -0.636 . . . . 10.0 109.698 179.182 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 28.8 t90 -61.94 -33.67 74.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.348 -0.842 . . . . 10.0 110.319 178.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -61.55 -48.85 79.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.961 0.41 . . . . 10.0 110.607 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 49.8 m -59.71 -41.38 90.68 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.478 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 59.8 t -65.89 -39.38 84.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.181 0.515 . . . . 10.0 109.713 178.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 94.1 m -61.55 -45.73 92.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.773 -0.649 . . . . 10.0 109.792 178.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 20.2 m -63.66 -31.2 72.3 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.178 178.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 27.2 m -66.17 -41.57 90.12 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 109.139 -0.689 . . . . 10.0 109.139 178.482 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -61.96 -40.32 95.17 Favored 'General case' 0 N--CA 1.457 -0.121 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.476 179.116 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 215' ' ' SER . . . . . 0.432 ' O ' ' HG3' ' A' ' 219' ' ' GLU . 1.4 m -60.16 -52.28 66.0 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 109.679 -0.489 . . . . 10.0 109.679 179.092 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 216' ' ' LYS . . . . . 0.598 ' HD2' HG22 ' D' ' 557' ' ' THR . 43.0 mmtt -59.08 -39.23 81.5 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.708 -0.678 . . . . 10.0 110.378 179.279 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 217' ' ' LEU . . . . . 0.575 HD11 H251 ' A' ' 405' ' ' PCW . 43.2 mt -62.7 -46.62 87.31 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-N 115.646 -0.706 . . . . 10.0 110.776 179.383 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 11.3 mtp180 -63.27 -38.06 89.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.391 -0.368 . . . . 10.0 110.717 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 219' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' A' ' 215' ' ' SER . 44.0 mt-10 -64.46 -31.26 72.39 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 116.253 -0.431 . . . . 10.0 110.644 179.141 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -85.73 -39.04 17.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.299 179.028 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 35.8 mt -56.19 -40.64 74.27 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.858 -0.61 . . . . 10.0 111.716 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -50.9 -67.49 1.91 Allowed Glycine 0 CA--C 1.52 0.359 0 C-N-CA 121.11 -0.567 . . . . 10.0 111.756 179.1 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -54.04 -40.78 79.95 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 123.009 2.473 . . . . 10.0 111.293 178.144 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 24.3 t -56.34 -42.57 74.66 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-O 120.81 0.338 . . . . 10.0 110.24 179.338 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 225' ' ' THR . . . . . 0.434 ' O ' ' HB2' ' A' ' 229' ' ' TRP . 14.5 m -62.23 -45.25 94.17 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.643 -0.503 . . . . 10.0 109.643 178.643 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -62.98 -46.21 88.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.888 -0.596 . . . . 10.0 111.063 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -62.43 -52.64 62.77 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.262 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 5.3 m-30 -61.53 -41.7 97.72 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.043 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 229' ' ' TRP . . . . . 0.434 ' HB2' ' O ' ' A' ' 225' ' ' THR . 1.1 m-90 -63.62 -38.26 90.46 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 116.629 -0.26 . . . . 10.0 110.466 179.285 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -61.34 -48.7 80.13 Favored 'General case' 0 CA--C 1.52 -0.179 0 N-CA-C 109.373 -0.602 . . . . 10.0 109.373 178.378 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 231' ' ' ASN . . . . . 0.616 ' HA ' ' HE2' ' A' ' 234' ' ' LYS . 72.2 m-20 -63.99 -43.9 94.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.606 -0.724 . . . . 10.0 110.081 179.135 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 47.4 mt -60.06 -44.67 94.54 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 115.945 -0.571 . . . . 10.0 110.665 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -63.78 -32.18 73.59 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 116.44 -0.345 . . . . 10.0 111.269 179.618 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 234' ' ' LYS . . . . . 0.616 ' HE2' ' HA ' ' A' ' 231' ' ' ASN . 41.3 mtmt -73.52 -35.0 65.52 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.208 -0.664 . . . . 10.0 109.208 178.415 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -67.47 -48.87 65.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.489 -0.778 . . . . 10.0 109.063 178.036 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 4.4 p -65.43 -34.82 79.19 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 116.015 -0.539 . . . . 10.0 109.947 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -61.61 -44.09 97.64 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 108.49 -0.93 . . . . 10.0 108.49 177.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -61.78 -41.37 99.61 Favored Glycine 0 N--CA 1.447 -0.574 0 N-CA-C 110.429 -1.068 . . . . 10.0 110.429 178.142 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 94.8 mt -65.48 -34.45 78.3 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-O 120.896 0.379 . . . . 10.0 110.399 178.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 240' ' ' ARG . . . . . 0.43 ' O ' ' HB3' ' A' ' 243' ' ' MET . 49.9 mtt180 -68.38 -36.55 79.33 Favored 'General case' 0 CA--C 1.519 -0.243 0 N-CA-C 109.358 -0.608 . . . . 10.0 109.358 178.687 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -69.93 -41.24 74.87 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 108.41 -0.959 . . . . 10.0 108.41 177.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -67.16 -26.87 66.87 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-N 115.235 -0.893 . . . . 10.0 110.265 178.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 243' ' ' MET . . . . . 0.861 ' HG3' HD12 ' A' ' 247' ' ' LEU . 39.1 ttm -58.06 -36.01 72.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.91 0.386 . . . . 10.0 110.172 178.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 244' ' ' SER . . . . . 0.448 ' HA ' ' HG2' ' A' ' 248' ' ' GLU . 17.7 m -74.81 8.21 2.6 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.409 -0.814 . . . . 10.0 111.125 179.352 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -132.13 -57.46 0.97 Allowed 'General case' 0 C--O 1.22 -0.496 0 CA-C-N 115.809 -0.632 . . . . 10.0 109.493 179.017 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 246' ' ' ASP . . . . . 0.69 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 21.1 t70 -57.24 -59.91 4.41 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.524 -0.762 . . . . 10.0 111.228 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 247' ' ' LEU . . . . . 0.861 HD12 ' HG3' ' A' ' 243' ' ' MET . 95.1 mt -76.88 -36.34 56.79 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.18 -0.464 . . . . 10.0 111.579 -179.575 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 248' ' ' GLU . . . . . 0.448 ' HG2' ' HA ' ' A' ' 244' ' ' SER . 73.3 mm-40 -65.75 -47.71 74.32 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.264 0.468 . . . . 10.0 112.264 -179.701 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -69.56 -30.8 68.67 Favored 'General case' 0 CA--C 1.517 -0.309 0 C-N-CA 121.208 -0.197 . . . . 10.0 110.83 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 250' ' ' VAL . . . . . 0.891 HG21 H271 ' A' ' 412' ' ' PCW . 1.4 p -70.67 -30.16 41.1 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.339 0 C-N-CA 120.577 -0.449 . . . . 10.0 110.485 179.101 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 251' ' ' LYS . . . . . 0.513 ' O ' HG12 ' A' ' 254' ' ' VAL . 96.2 mttt -81.25 -34.2 32.27 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.159 0.504 . . . . 10.0 110.124 178.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -73.17 -44.27 60.2 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.063 179.242 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -80.32 -18.39 49.33 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.786 -0.643 . . . . 10.0 112.033 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 254' ' ' VAL . . . . . 0.78 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 1.2 p -63.53 -26.33 40.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 C-N-CA 120.859 -0.337 . . . . 10.0 110.623 179.725 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 255' ' ' GLN . . . . . 0.51 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 39.6 mt-30 -61.82 -63.56 4.12 Favored Pre-proline 0 CA--C 1.539 0.555 0 CA-C-N 116.416 -0.356 . . . . 10.0 110.557 179.435 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 256' ' ' PRO . . . . . 0.51 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 29.0 Cg_endo -65.92 -32.67 44.69 Favored 'Trans proline' 0 C--N 1.359 1.126 0 C-N-CA 121.449 1.433 . . . . 10.0 111.582 178.512 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 4.8 m-30 -61.62 -56.09 23.62 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 120.882 0.373 . . . . 10.0 110.285 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 19.3 mt -67.72 -40.25 84.26 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.983 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -57.65 -45.13 85.91 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 116.477 -0.329 . . . . 10.0 111.073 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -64.8 -50.95 64.74 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.132 -0.485 . . . . 10.0 111.115 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -63.2 -37.34 86.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.895 0.378 . . . . 10.0 111.019 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -67.14 -43.11 83.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.105 -0.498 . . . . 10.0 109.769 178.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 263' ' ' LYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 266' ' ' GLN . 0.6 OUTLIER -66.36 -41.47 89.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.995 -0.548 . . . . 10.0 109.804 179.019 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 264' ' ' LYS . . . . . 0.631 ' HE3' ' HB1' ' D' ' 509' ' ' ALA . 42.7 mttp -62.6 -41.38 98.94 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 108.981 -0.748 . . . . 10.0 108.981 178.614 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 1.6 m95 -65.91 -34.74 78.81 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.396 -0.82 . . . . 10.0 110.148 178.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 266' ' ' GLN . . . . . 0.404 ' HB2' ' O ' ' A' ' 263' ' ' LYS . 42.8 mt-30 -59.38 -48.75 80.47 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 108.817 -0.808 . . . . 10.0 108.817 178.026 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -61.84 -44.41 96.89 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.333 -0.849 . . . . 10.0 109.376 178.547 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 268' ' ' GLU . . . . . 0.496 ' HG2' ' HD3' ' D' ' 506' ' ' ARG . 10.7 mt-10 -58.78 -46.06 88.38 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.877 179.156 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 93.0 mmm -65.68 -43.87 87.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.101 -0.5 . . . . 10.0 110.793 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -62.19 -46.8 87.31 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.466 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 83.5 mt -62.97 -41.64 99.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 10.0 110.197 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 272' ' ' TYR . . . . . 0.435 ' HD1' ' HA ' ' A' ' 272' ' ' TYR . 0.6 OUTLIER -64.47 -41.45 96.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.96 179.256 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 273' ' ' ARG . . . . . 0.605 ' HA ' HG12 ' A' ' 276' ' ' VAL . 86.6 mtt180 -72.36 -37.26 68.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.001 0.429 . . . . 10.0 111.356 179.524 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -65.0 -33.61 76.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.925 -0.58 . . . . 10.0 110.117 178.612 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 275' ' ' LYS . . . . . 0.692 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 9.9 mptt -87.18 -37.89 16.89 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.828 -0.624 . . . . 10.0 111.138 179.353 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 276' ' ' VAL . . . . . 0.605 HG12 ' HA ' ' A' ' 273' ' ' ARG . 2.8 p -56.24 -32.35 34.64 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.141 0 N-CA-C 112.202 0.445 . . . . 10.0 112.202 -179.309 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -60.98 -63.71 3.99 Favored Pre-proline 0 CA--C 1.538 0.493 0 C-N-CA 121.033 -0.267 . . . . 10.0 111.262 179.189 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 278' ' ' PRO . . . . . 0.439 ' O ' ' HG3' ' A' ' 282' ' ' GLU . 34.0 Cg_endo -66.18 -34.77 35.38 Favored 'Trans proline' 0 C--N 1.355 0.885 0 C-N-CA 121.74 1.627 . . . . 10.0 112.119 178.634 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 279' ' ' LEU . . . . . 0.799 HD22 ' HE3' ' D' ' 495' ' ' LYS . 14.8 mt -63.83 -40.95 97.81 Favored 'General case' 0 C--N 1.334 -0.075 0 C-N-CA 120.775 -0.37 . . . . 10.0 110.675 179.347 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -68.46 -31.26 70.43 Favored 'General case' 0 CA--C 1.522 -0.131 0 N-CA-C 108.921 -0.77 . . . . 10.0 108.921 178.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -68.44 -46.88 68.66 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 108.852 -0.795 . . . . 10.0 108.852 178.16 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 282' ' ' GLU . . . . . 0.439 ' HG3' ' O ' ' A' ' 278' ' ' PRO . 59.9 mt-10 -60.58 -44.95 95.63 Favored 'General case' 0 C--O 1.227 -0.117 0 CA-C-N 115.828 -0.624 . . . . 10.0 109.617 178.505 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 34.3 mt -63.83 -42.0 97.72 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.352 179.041 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -58.14 -58.41 8.55 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.632 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 285' ' ' GLU . . . . . 0.459 ' HA ' ' HD2' ' A' ' 288' ' ' ARG . 38.0 mt-10 -64.24 -38.84 92.47 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.907 -0.588 . . . . 10.0 111.113 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 286' ' ' GLY . . . . . 0.465 ' O ' ' HG3' ' A' ' 290' ' ' LYS . . . -61.43 -42.39 99.76 Favored Glycine 0 N--CA 1.444 -0.798 0 N-CA-C 111.298 -0.721 . . . . 10.0 111.298 178.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -69.39 -36.91 77.25 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.692 -0.485 . . . . 10.0 109.692 178.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 288' ' ' ARG . . . . . 0.459 ' HD2' ' HA ' ' A' ' 285' ' ' GLU . 69.6 mtt180 -59.29 -48.38 81.84 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.226 179.217 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 11.0 tm0? -60.98 -50.16 74.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.683 -0.69 . . . . 10.0 110.584 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 290' ' ' LYS . . . . . 0.465 ' HG3' ' O ' ' A' ' 286' ' ' GLY . 44.8 mttp -61.87 -41.36 97.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.073 -0.512 . . . . 10.0 111.388 -179.761 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 291' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 291' ' ' LEU . 25.8 mt -66.71 -40.52 88.46 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.719 -0.219 . . . . 10.0 110.938 179.257 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -63.34 -45.4 91.41 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 110.142 -0.318 . . . . 10.0 110.142 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.31 -41.26 96.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.071 -0.513 . . . . 10.0 109.948 178.597 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 41.7 mt -67.43 -41.91 84.04 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.048 -0.524 . . . . 10.0 110.806 179.165 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -63.95 -37.84 88.88 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.374 -0.375 . . . . 10.0 110.719 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -66.34 -9.72 35.94 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.648 -0.705 . . . . 10.0 111.049 179.268 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 297' ' ' LYS . . . . . 0.512 ' HB3' HD12 ' A' ' 301' ' ' LEU . 23.2 mmtp -110.98 -39.01 4.92 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.001 178.294 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 53.8 mt -58.82 -28.02 65.62 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.159 -0.473 . . . . 10.0 111.961 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 299' ' ' SER . . . . . 0.82 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 11.5 m -84.11 -64.92 0.23 Allowed Pre-proline 0 CA--C 1.541 0.623 0 N-CA-C 112.288 0.477 . . . . 10.0 112.288 179.528 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 300' ' ' PRO . . . . . 0.82 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 48.4 Cg_exo -59.42 -48.12 14.55 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 122.485 2.123 . . . . 10.0 112.205 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 301' ' ' LEU . . . . . 0.687 ' HB3' ' HE3' ' D' ' 473' ' ' LYS . 94.6 mt -72.49 -30.31 64.42 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.648 -0.501 . . . . 10.0 109.648 179.212 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -66.19 -49.06 59.93 Favored Glycine 0 N--CA 1.444 -0.814 0 N-CA-C 110.514 -1.034 . . . . 10.0 110.514 178.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -62.73 -38.78 91.83 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 109.534 -0.543 . . . . 10.0 109.534 178.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -62.99 -41.68 99.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.436 -0.802 . . . . 10.0 109.884 178.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 305' ' ' MET . . . . . 0.444 ' SD ' HD13 ' D' ' 469' ' ' LEU . 6.4 tpt -67.39 -39.39 85.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.955 -0.566 . . . . 10.0 109.845 179.448 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 75.8 mtt180 -68.45 -38.36 81.06 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.532 -0.544 . . . . 10.0 109.532 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 307' ' ' ASP . . . . . 0.47 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 30.7 t0 -65.39 -42.11 92.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.626 -0.716 . . . . 10.0 109.562 178.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 308' ' ' ARG . . . . . 0.47 ' HG3' HD11 ' D' ' 469' ' ' LEU . 16.7 mmt180 -69.96 -31.48 69.22 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.463 -0.79 . . . . 10.0 109.8 178.553 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -63.61 -35.88 81.98 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.338 -0.616 . . . . 10.0 109.338 178.488 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 310' ' ' ARG . . . . . 0.47 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 67.1 mtt180 -60.16 -49.26 78.32 Favored 'General case' 0 C--O 1.223 -0.336 0 N-CA-C 108.756 -0.831 . . . . 10.0 108.756 178.287 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -64.87 -40.68 95.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.466 179.216 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -56.77 -54.13 49.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.808 -0.633 . . . . 10.0 109.941 179.373 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 52.0 t -72.82 -34.16 45.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.859 -0.609 . . . . 10.0 111.717 -179.148 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 314' ' ' ASP . . . . . 0.423 ' HB2' ' O ' ' A' ' 310' ' ' ARG . 4.5 t70 -64.36 -45.81 86.12 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 122.263 -0.273 . . . . 10.0 110.582 179.711 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -62.47 -37.06 84.47 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.019 -0.734 . . . . 10.0 109.019 178.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 26.0 mt -68.45 -42.69 78.47 Favored 'General case' 0 C--O 1.218 -0.598 0 CA-C-N 115.483 -0.78 . . . . 10.0 110.15 178.64 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 11.9 mtm105 -63.56 -41.32 98.41 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.991 0.424 . . . . 10.0 110.689 179.479 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 4.7 m -68.42 -18.66 64.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.478 0.656 . . . . 10.0 110.293 179.274 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -93.23 -40.53 10.4 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.554 -0.748 . . . . 10.0 109.746 178.646 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 75.9 mt -67.72 -33.66 75.33 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.818 -0.628 . . . . 10.0 111.478 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 321' ' ' ALA . . . . . 0.468 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -53.38 -59.25 9.79 Favored Pre-proline 0 CA--C 1.537 0.475 0 N-CA-C 112.025 0.38 . . . . 10.0 112.025 179.651 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 322' ' ' PRO . . . . . 0.468 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 54.3 Cg_endo -72.72 -33.72 7.85 Favored 'Trans proline' 0 C--N 1.353 0.814 0 C-N-CA 121.589 1.526 . . . . 10.0 111.806 178.589 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 7.7 m-30 -65.43 -39.39 92.04 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 112.03 0.381 . . . . 10.0 112.03 -179.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 324' ' ' SER . . . . . 0.625 ' HA ' HD12 ' A' ' 327' ' ' LEU . 50.0 p -65.9 -38.3 88.35 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.933 -0.395 . . . . 10.0 109.933 179.682 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 325' ' ' ASP . . . . . 0.855 ' HA ' ' HD2' ' A' ' 328' ' ' ARG . 5.8 t70 -67.62 -36.81 81.52 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.57 -0.53 . . . . 10.0 109.57 178.764 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 71.7 mt-10 -66.09 -34.37 77.91 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 108.507 -0.923 . . . . 10.0 108.507 177.451 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 327' ' ' LEU . . . . . 0.625 HD12 ' HA ' ' A' ' 324' ' ' SER . 15.6 mt -66.07 -37.58 86.15 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 108.793 -0.817 . . . . 10.0 108.793 177.624 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 328' ' ' ARG . . . . . 0.855 ' HD2' ' HA ' ' A' ' 325' ' ' ASP . 85.9 mtt180 -65.35 -44.67 86.94 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 108.404 -0.961 . . . . 10.0 108.404 178.172 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -62.63 -39.85 95.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.733 -0.667 . . . . 10.0 109.524 178.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 330' ' ' ARG . . . . . 0.656 HH21 ' HB3' ' D' ' 447' ' ' GLU . 27.0 mtt180 -61.91 -53.83 50.29 Favored 'General case' 0 C--O 1.223 -0.329 0 CA-C-N 115.75 -0.659 . . . . 10.0 109.705 178.562 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 64.4 mt -60.97 -37.92 84.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.936 -0.575 . . . . 10.0 111.242 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -63.4 -51.97 63.59 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.994 -0.373 . . . . 10.0 109.994 178.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -62.06 -44.98 95.52 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.58 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 334' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 334' ' ' ARG . 39.8 mtt180 -60.19 -48.78 80.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.007 -0.542 . . . . 10.0 111.034 179.221 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 335' ' ' LEU . . . . . 0.465 ' O ' ' HB2' ' A' ' 339' ' ' LYS . 49.0 mt -68.0 -27.75 66.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.35 -0.386 . . . . 10.0 111.322 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -69.16 -43.68 73.79 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.082 -0.711 . . . . 10.0 109.082 178.314 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -68.0 -48.55 65.46 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.586 -0.734 . . . . 10.0 109.615 178.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 75.0 mt -63.32 -23.03 67.24 Favored 'General case' 0 C--O 1.223 -0.307 0 CA-C-N 115.761 -0.654 . . . . 10.0 111.346 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 339' ' ' LYS . . . . . 0.465 ' HB2' ' O ' ' A' ' 335' ' ' LEU . 74.6 tttt -72.12 -47.05 54.04 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 110.017 -0.364 . . . . 10.0 110.017 179.148 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -71.83 -47.71 51.29 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 120.98 0.419 . . . . 10.0 110.177 179.223 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -62.25 -41.04 98.09 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.778 -0.646 . . . . 10.0 109.764 178.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -64.06 -43.07 97.82 Favored Glycine 0 N--CA 1.45 -0.391 0 N-CA-C 111.385 -0.686 . . . . 10.0 111.385 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -61.83 -43.25 99.48 Favored Glycine 0 C--N 1.33 0.207 0 N-CA-C 110.788 -0.925 . . . . 10.0 110.788 178.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -63.49 -45.18 91.88 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.527 -0.546 . . . . 10.0 109.527 178.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 28.0 mtm180 -64.01 -37.46 87.52 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 115.961 -0.563 . . . . 10.0 111.005 179.395 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 20.0 mt -61.84 -46.69 88.38 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.847 -0.427 . . . . 10.0 109.847 179.014 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.18 -41.8 97.45 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.59 -0.522 . . . . 10.0 109.59 178.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 348' ' ' GLU . . . . . 0.471 ' HB3' ' HE2' ' A' ' 352' ' ' LYS . 3.6 mt-10 -65.97 -40.89 91.67 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.687 -0.688 . . . . 10.0 110.628 178.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -61.63 -43.84 98.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.239 -0.437 . . . . 10.0 110.546 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 69.0 m-70 -68.31 -37.52 80.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 10.0 109.992 179.112 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -63.39 -44.26 95.23 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 109.527 -0.546 . . . . 10.0 109.527 178.358 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 352' ' ' LYS . . . . . 0.471 ' HE2' ' HB3' ' A' ' 348' ' ' GLU . 13.5 mttm -68.13 -40.65 82.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.541 -0.754 . . . . 10.0 110.093 179.185 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.52 -37.42 78.29 Favored 'General case' 0 C--O 1.225 -0.235 0 N-CA-C 109.67 -0.492 . . . . 10.0 109.67 178.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 83.1 m -64.98 -40.36 94.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.901 -0.59 . . . . 10.0 109.809 178.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -69.26 -35.73 76.39 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 116.262 -0.427 . . . . 10.0 110.188 178.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 356' ' ' HIS . . . . . 0.401 ' O ' ' HB2' ' A' ' 360' ' ' LEU . 12.3 m-70 -69.58 -35.88 75.76 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.05 -0.722 . . . . 10.0 109.05 178.398 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 23.0 mt -70.83 -41.13 71.93 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.973 -0.558 . . . . 10.0 111.879 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 4.1 p -64.84 -41.24 95.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.918 0.39 . . . . 10.0 110.815 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 359' ' ' THR . . . . . 0.467 HG21 ' HG3' ' D' ' 418' ' ' GLN . 3.0 p -74.19 -29.05 61.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.309 -0.405 . . . . 10.0 109.991 178.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 360' ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' A' ' 356' ' ' HIS . 27.4 tp -64.98 -31.18 72.3 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 115.429 -0.805 . . . . 10.0 109.266 178.79 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 4.9 m -60.13 -35.64 75.72 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.324 -0.398 . . . . 10.0 109.997 178.646 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 362' ' ' GLU . . . . . 0.449 ' HA ' ' HD2' ' A' ' 366' ' ' PRO . 42.2 mm-40 -66.53 -25.7 66.79 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.281 0.562 . . . . 10.0 110.14 178.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 363' ' ' LYS . . . . . 0.667 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 89.3 mttt -89.61 -32.05 17.28 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.872 -0.603 . . . . 10.0 110.252 179.723 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 364' ' ' ALA . . . . . 0.407 ' HA ' HD12 ' A' ' 368' ' ' LEU . . . -82.06 -28.11 32.59 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.886 0.698 . . . . 10.0 112.886 -178.628 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 365' ' ' LYS . . . . . 0.964 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 82.9 mttt -107.51 -75.19 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 N-CA-C 112.83 0.678 . . . . 10.0 112.83 -179.744 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 366' ' ' PRO . . . . . 0.964 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 50.7 Cg_exo -57.29 -56.78 1.6 Allowed 'Trans proline' 0 C--N 1.356 0.931 0 C-N-CA 122.141 1.894 . . . . 10.0 112.925 -179.516 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 367' ' ' ALA . . . . . 0.667 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -59.46 -48.57 81.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.608 -0.269 . . . . 10.0 111.705 -179.416 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 368' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 364' ' ' ALA . 1.7 mt -61.81 -42.26 98.8 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 111.78 0.289 . . . . 10.0 111.78 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -64.39 -43.85 93.18 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.902 -0.319 . . . . 10.0 110.402 179.422 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -61.21 -42.8 99.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.284 0.564 . . . . 10.0 109.947 178.659 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 72.7 mt -64.52 -44.38 91.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.6 -0.727 . . . . 10.0 110.361 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 -65.91 -44.58 84.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.29 -0.414 . . . . 10.0 111.01 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -64.21 -24.68 67.76 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.512 179.329 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -89.08 -32.49 10.62 Favored Glycine 0 N--CA 1.446 -0.678 0 N-CA-C 111.003 -0.839 . . . . 10.0 111.003 178.655 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 29.4 mt -65.83 -33.59 76.2 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 122.885 -0.185 . . . . 10.0 110.898 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 376' ' ' LEU . . . . . 0.403 ' HB2' ' CD ' ' A' ' 377' ' ' PRO . 72.0 mt -54.08 -62.42 3.9 Favored Pre-proline 0 CA--C 1.538 0.481 0 N-CA-C 112.274 0.472 . . . . 10.0 112.274 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 377' ' ' PRO . . . . . 0.403 ' CD ' ' HB2' ' A' ' 376' ' ' LEU . 24.4 Cg_endo -63.6 -33.12 68.49 Favored 'Trans proline' 0 C--N 1.355 0.888 0 C-N-CA 121.778 1.652 . . . . 10.0 111.962 179.44 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 41.1 t -65.23 -48.38 83.73 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 N-CA-C 109.872 -0.418 . . . . 10.0 109.872 179.058 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 379' ' ' LEU . . . . . 0.608 ' O ' ' HG3' ' A' ' 383' ' ' LYS . 35.0 mt -63.62 -36.88 85.29 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.545 -0.539 . . . . 10.0 109.545 178.732 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 380' ' ' GLU . . . . . 0.42 ' HA ' ' HD2' ' A' ' 383' ' ' LYS . 36.1 tt0 -63.7 -49.41 73.23 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.315 -0.402 . . . . 10.0 110.908 179.313 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 1.6 p -63.37 -33.9 76.55 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.231 0.538 . . . . 10.0 109.641 178.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -68.51 -36.63 79.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.564 -0.744 . . . . 10.0 109.693 178.031 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 383' ' ' LYS . . . . . 0.608 ' HG3' ' O ' ' A' ' 379' ' ' LEU . 84.8 mttt -58.51 -48.84 79.49 Favored 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 109.221 -0.659 . . . . 10.0 109.221 178.357 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 17.7 t -62.13 -44.63 99.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.814 -0.63 . . . . 10.0 109.598 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 36.2 m -61.38 -40.2 93.47 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.979 179.27 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 386' ' ' PHE . . . . . 0.411 ' O ' ' HG ' ' A' ' 390' ' ' LEU . 7.0 m-85 -68.44 -43.11 77.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.407 -0.36 . . . . 10.0 110.312 179.195 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 387' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 383' ' ' LYS . 86.1 mt -57.5 -47.22 82.53 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.521 179.216 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 388' ' ' SER . . . . . 0.451 ' O ' ' HG2' ' A' ' 392' ' ' GLU . 2.4 p -65.5 -38.29 89.3 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.422 -0.354 . . . . 10.0 110.478 179.402 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -61.76 -44.19 97.38 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.367 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 390' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 386' ' ' PHE . 74.0 mt -60.22 -46.4 89.9 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 115.88 -0.6 . . . . 10.0 109.957 179.211 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 391' ' ' GLU . . . . . 0.438 ' HG3' ' O ' ' A' ' 387' ' ' LEU . 44.2 mt-10 -59.66 -42.96 94.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.595 -0.729 . . . . 10.0 111.039 179.682 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 392' ' ' GLU . . . . . 0.451 ' HG2' ' O ' ' A' ' 388' ' ' SER . 54.6 mm-40 -57.56 -44.98 85.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.891 0.377 . . . . 10.0 110.964 179.491 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -65.35 -43.52 90.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.14 0.495 . . . . 10.0 110.562 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 20.4 m -67.05 -32.1 73.06 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.98 -0.554 . . . . 10.0 112.122 -179.414 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -79.76 -39.59 30.65 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.699 0.629 . . . . 10.0 112.699 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 396' ' ' LYS . . . . . 0.701 ' HE2' ' HA ' ' D' ' 587' ' ' ALA . 13.8 mptt -89.07 -29.52 19.36 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 114.129 1.159 . . . . 10.0 114.129 -177.742 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 32.2 mt -100.03 -14.37 18.67 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.849 0.685 . . . . 10.0 112.849 -178.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 58.1 t30 . . . . . 0 C--N 1.324 -0.508 0 CA-C-O 120.535 0.207 . . . . 10.0 111.145 -179.221 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 399' ' ' LEU . . . . . 0.453 HD13 ' HA ' ' D' ' 399' ' ' LEU . 1.5 mm? . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.948 0.404 . . . . 10.0 110.938 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 26.9 mtpt -107.65 14.39 25.7 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.084 -0.507 . . . . 10.0 109.959 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 80.6 mt -62.21 -41.95 98.85 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.506 -0.77 . . . . 10.0 110.464 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 84.5 mt -61.3 -39.77 91.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.808 -0.633 . . . . 10.0 111.152 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -63.23 -47.7 81.36 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.829 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 404' ' ' ASN . . . . . 0.489 ' O ' HG23 ' D' ' 408' ' ' VAL . 23.0 t-20 -68.1 -46.98 69.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.983 0.421 . . . . 10.0 110.834 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -38.82 81.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.785 -0.643 . . . . 10.0 111.636 -179.445 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -60.82 -46.41 90.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.396 -0.365 . . . . 10.0 110.761 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 2.5 m -63.42 -34.65 78.21 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-O 120.937 0.398 . . . . 10.0 110.522 179.075 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 408' ' ' VAL . . . . . 0.489 HG23 ' O ' ' D' ' 404' ' ' ASN . 93.6 t -67.24 -37.98 80.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 N-CA-C 108.196 -1.038 . . . . 10.0 108.196 178.061 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 55.9 m -60.71 -42.91 98.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.363 -0.835 . . . . 10.0 109.349 178.442 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.28 -41.53 89.13 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.783 -0.644 . . . . 10.0 110.061 178.8 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 411' ' ' THR . . . . . 0.448 HG23 ' HE2' ' A' ' 363' ' ' LYS . 41.7 m -63.51 -39.5 94.6 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.556 -0.747 . . . . 10.0 110.115 179.035 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 11.8 m-30 -64.2 -42.92 96.43 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 116.132 -0.486 . . . . 10.0 109.695 178.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 13.5 m -64.0 -40.43 96.34 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.577 -0.527 . . . . 10.0 109.577 178.247 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 25.0 mmtm -64.16 -30.74 71.79 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 116.07 -0.514 . . . . 10.0 109.893 178.458 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 43.1 mt -68.81 -37.58 79.33 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 108.822 -0.807 . . . . 10.0 108.822 177.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -70.19 -34.45 72.98 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 109.411 -0.588 . . . . 10.0 109.411 178.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -64.22 -25.89 68.27 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-N 115.334 -0.848 . . . . 10.0 109.272 178.02 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 418' ' ' GLN . . . . . 0.467 ' HG3' HG21 ' A' ' 359' ' ' THR . 42.0 mt-30 -85.02 -55.88 3.84 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 108.459 -0.941 . . . . 10.0 108.459 177.468 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 87.3 mt -45.05 -47.82 11.77 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.173 -0.921 . . . . 10.0 112.998 -179.354 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -53.24 -78.07 0.12 Allowed Glycine 0 CA--C 1.522 0.49 0 C-N-CA 121.172 -0.537 . . . . 10.0 112.96 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 421' ' ' PRO . . . . . 0.526 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 54.0 Cg_exo -54.93 -37.69 93.14 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.942 2.428 . . . . 10.0 112.769 179.578 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 422' ' ' VAL . . . . . 0.505 ' O ' ' HB2' ' D' ' 426' ' ' PHE . 22.1 t -62.35 -49.91 82.03 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.349 0 O-C-N 123.258 0.349 . . . . 10.0 111.656 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 30.5 p -64.68 -33.17 75.32 Favored 'General case' 0 C--O 1.223 -0.306 0 C-N-CA 120.537 -0.465 . . . . 10.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -60.63 -50.06 75.02 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.898 0.38 . . . . 10.0 110.395 179.208 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 425' ' ' GLU . . . . . 0.526 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 9.5 pt-20 -77.48 -32.14 54.11 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.294 -0.412 . . . . 10.0 110.52 179.604 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 426' ' ' PHE . . . . . 0.505 ' HB2' ' O ' ' D' ' 422' ' ' VAL . 5.8 t80 -66.05 -37.79 86.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.526 -0.306 . . . . 10.0 110.25 179.444 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 3.1 m0 -62.29 -42.91 99.76 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.153 -0.684 . . . . 10.0 109.153 178.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 428' ' ' ASP . . . . . 0.449 ' O ' ' HG3' ' D' ' 432' ' ' LYS . 15.2 t70 -67.63 -37.16 82.06 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.149 -0.686 . . . . 10.0 109.149 178.332 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -61.46 -44.11 97.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.647 -0.706 . . . . 10.0 109.139 177.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 59.9 mt -64.44 -34.8 79.04 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 115.474 -0.784 . . . . 10.0 109.184 178.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 431' ' ' GLU . . . . . 0.426 ' HA ' ' OG1' ' D' ' 434' ' ' THR . 51.9 mt-10 -68.7 -38.27 80.14 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 115.475 -0.784 . . . . 10.0 109.404 178.14 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 432' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' D' ' 428' ' ' ASP . 53.7 mttp -59.53 -43.75 93.39 Favored 'General case' 0 C--O 1.233 0.223 0 N-CA-C 108.29 -1.004 . . . . 10.0 108.29 177.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -63.2 -51.79 64.91 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.005 -0.998 . . . . 10.0 110.256 179.19 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 434' ' ' THR . . . . . 0.426 ' OG1' ' HA ' ' D' ' 431' ' ' GLU . 0.7 OUTLIER -60.04 -45.04 94.15 Favored 'General case' 0 C--O 1.221 -0.407 0 N-CA-C 111.764 0.283 . . . . 10.0 111.764 -179.601 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -61.15 -44.97 96.49 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.038 0.447 . . . . 10.0 110.163 178.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -64.39 -46.65 89.94 Favored Glycine 0 N--CA 1.448 -0.537 0 N-CA-C 110.726 -0.95 . . . . 10.0 110.726 178.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.03 -30.58 71.64 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 115.636 -0.282 . . . . 10.0 110.806 179.526 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 73.3 mtt180 -64.33 -39.2 93.43 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.73 -0.47 . . . . 10.0 109.73 178.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -68.72 -33.89 74.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.887 -0.597 . . . . 10.0 109.486 178.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -71.76 -44.44 64.04 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.46 -0.791 . . . . 10.0 109.33 178.396 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 93.5 mmm -61.57 -43.66 98.45 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.252 -0.885 . . . . 10.0 112.339 -179.093 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 3.7 p -62.09 -46.9 87.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.898 0.38 . . . . 10.0 110.357 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 443' ' ' LYS . . . . . 0.608 ' O ' ' HB2' ' D' ' 447' ' ' GLU . 29.5 mtpp -65.55 -33.32 75.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.149 0.5 . . . . 10.0 110.798 179.341 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -73.14 -55.84 5.92 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.728 -0.669 . . . . 10.0 110.58 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 95.9 mt -59.96 -46.63 88.79 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 113.03 0.752 . . . . 10.0 113.03 -178.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -62.25 -39.26 92.3 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.704 -0.398 . . . . 10.0 110.662 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 447' ' ' GLU . . . . . 0.656 ' HB3' HH21 ' A' ' 330' ' ' ARG . 2.9 tt0 -71.27 -34.51 70.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.917 -0.583 . . . . 10.0 109.989 178.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 2.4 t -60.55 -42.83 92.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.246 -0.433 . . . . 10.0 110.198 179.063 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 78.3 mttt -64.22 -33.04 74.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.238 0.542 . . . . 10.0 109.716 178.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -92.07 15.13 14.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.38 -0.827 . . . . 10.0 110.939 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 42.1 mttm -129.43 -51.12 1.18 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.41 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 87.0 t -61.33 -35.82 68.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.775 0.321 . . . . 10.0 110.77 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -63.76 -62.59 5.08 Favored Pre-proline 0 CA--C 1.538 0.515 0 CA-C-N 116.561 -0.29 . . . . 10.0 111.474 179.179 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_endo -62.64 -33.76 76.49 Favored 'Trans proline' 0 C--N 1.355 0.877 0 C-N-CA 122.197 1.931 . . . . 10.0 112.358 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -68.87 -46.27 68.85 Favored 'General case' 0 C--O 1.224 -0.288 0 C-N-CA 121.136 -0.226 . . . . 10.0 110.523 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 456' ' ' LEU . . . . . 0.467 HD23 ' HA ' ' D' ' 456' ' ' LEU . 11.0 mt -64.33 -36.36 83.86 Favored 'General case' 0 CA--C 1.515 -0.385 0 C-N-CA 120.708 -0.397 . . . . 10.0 110.117 179.175 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -63.02 -50.0 72.39 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.66 -0.496 . . . . 10.0 109.66 178.222 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 458' ' ' ASP . . . . . 0.49 ' HA ' ' HD2' ' D' ' 461' ' ' LYS . 27.1 t70 -65.18 -35.81 82.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.784 -0.644 . . . . 10.0 110.805 179.03 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 459' ' ' PHE . . . . . 0.474 ' HD2' ' HA ' ' D' ' 459' ' ' PHE . 0.1 OUTLIER -68.91 -43.25 75.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.082 -0.508 . . . . 10.0 109.875 179.122 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -65.7 -31.66 72.79 Favored 'General case' 0 CA--C 1.519 -0.224 0 N-CA-C 109.818 -0.438 . . . . 10.0 109.818 178.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 461' ' ' LYS . . . . . 0.491 ' O ' ' HG3' ' D' ' 465' ' ' GLU . 65.9 mttt -62.88 -44.02 97.22 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 108.564 -0.902 . . . . 10.0 108.564 177.556 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 13.4 mtmm -69.65 -37.27 76.67 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.376 -0.829 . . . . 10.0 109.821 178.561 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 38.5 m0 -63.44 -39.38 94.33 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 108.937 -0.764 . . . . 10.0 108.937 178.304 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -63.7 -40.78 97.63 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 108.918 -0.771 . . . . 10.0 108.918 178.045 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 465' ' ' GLU . . . . . 0.546 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 45.7 mt-10 -60.97 -53.93 51.26 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.273 -0.64 . . . . 10.0 109.273 178.669 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 466' ' ' GLU . . . . . 0.714 ' OE2' H261 ' D' ' 602' ' ' PCW . 0.2 OUTLIER -58.04 -50.66 72.67 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.7 -0.682 . . . . 10.0 111.752 -179.482 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 70.2 mtm -61.24 -36.42 79.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.871 0.367 . . . . 10.0 111.103 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 468' ' ' GLU . . . . . 0.631 ' HG2' HE22 ' D' ' 472' ' ' GLN . 26.4 tt0 -69.4 -42.1 75.55 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.208 -0.664 . . . . 10.0 109.208 179.013 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 469' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' D' ' 465' ' ' GLU . 94.9 mt -63.42 -26.86 68.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.282 -0.872 . . . . 10.0 110.679 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 19.3 m-30 -68.32 -27.82 66.63 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.097 0.475 . . . . 10.0 109.95 179.04 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 471' ' ' ARG . . . . . 0.429 ' HG2' ' OE2' ' D' ' 475' ' ' GLU . 71.2 mtt85 -77.35 -22.61 51.54 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.578 -0.527 . . . . 10.0 109.578 178.784 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 472' ' ' GLN . . . . . 0.631 HE22 ' HG2' ' D' ' 468' ' ' GLU . 2.0 mt-30 -99.58 -5.59 28.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.783 -0.644 . . . . 10.0 110.969 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 473' ' ' LYS . . . . . 0.687 ' HE3' ' HB3' ' A' ' 301' ' ' LEU . 62.3 mttp -127.07 -76.17 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.321 -0.4 . . . . 10.0 111.98 -179.675 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 61.9 t -49.96 -52.99 12.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 N-CA-C 113.039 0.755 . . . . 10.0 113.039 -178.41 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 475' ' ' GLU . . . . . 0.429 ' OE2' ' HG2' ' D' ' 471' ' ' ARG . 41.1 mt-10 -58.14 -58.44 18.77 Favored Pre-proline 0 CA--C 1.537 0.471 0 N-CA-C 113.929 1.085 . . . . 10.0 113.929 -179.169 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -62.86 -34.78 70.89 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 121.968 1.779 . . . . 10.0 111.601 178.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 31.6 mt -67.95 -27.67 66.81 Favored 'General case' 0 C--O 1.225 -0.189 0 N-CA-C 109.853 -0.425 . . . . 10.0 109.853 178.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 478' ' ' ARG . . . . . 0.407 ' O ' ' HB2' ' D' ' 482' ' ' GLN . 67.5 mtt180 -71.11 -25.52 62.63 Favored 'General case' 0 CA--C 1.516 -0.347 0 N-CA-C 109.337 -0.616 . . . . 10.0 109.337 177.664 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -79.77 -36.65 36.83 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 107.594 -1.262 . . . . 10.0 107.594 177.565 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.53 -41.16 93.4 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 108.066 -1.087 . . . . 10.0 108.066 177.25 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 58.3 mt -73.53 -28.65 62.0 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 115.097 -0.956 . . . . 10.0 110.032 178.548 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 482' ' ' GLN . . . . . 0.407 ' HB2' ' O ' ' D' ' 478' ' ' ARG . 6.7 tp60 -63.75 -55.23 24.79 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 108.299 -1.0 . . . . 10.0 108.299 178.138 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 483' ' ' GLU . . . . . 0.497 ' OE2' ' HD2' ' D' ' 486' ' ' ARG . 1.2 tp10 -64.3 -39.38 93.8 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.76 -0.654 . . . . 10.0 109.574 178.686 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -61.3 -41.8 99.6 Favored Glycine 0 N--CA 1.447 -0.592 0 N-CA-C 111.319 -0.712 . . . . 10.0 111.319 178.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -68.18 -41.56 81.28 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 109.404 -0.591 . . . . 10.0 109.404 178.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 486' ' ' ARG . . . . . 0.497 ' HD2' ' OE2' ' D' ' 483' ' ' GLU . 60.9 mtt180 -60.7 -42.2 96.71 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.906 -0.588 . . . . 10.0 109.88 178.752 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 487' ' ' GLN . . . . . 0.615 ' O ' ' HG3' ' D' ' 491' ' ' GLU . 20.3 mm-40 -65.96 -46.44 78.11 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.509 178.766 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -62.75 -42.57 99.74 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.912 179.438 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 36.1 mt -63.97 -35.55 81.07 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.487 -0.56 . . . . 10.0 109.487 178.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 8.2 t-160 -68.85 -39.27 79.99 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 108.518 -0.919 . . . . 10.0 108.518 178.19 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 491' ' ' GLU . . . . . 0.615 ' HG3' ' O ' ' D' ' 487' ' ' GLN . 44.3 mt-10 -62.67 -39.34 93.61 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 108.627 -0.879 . . . . 10.0 108.627 177.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 96.4 mt -71.8 -41.82 67.82 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-N 115.587 -0.733 . . . . 10.0 111.322 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -56.58 -44.22 80.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.984 0.421 . . . . 10.0 110.64 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -74.4 14.0 0.51 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.68 -0.691 . . . . 10.0 111.833 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 495' ' ' LYS . . . . . 0.799 ' HE3' HD22 ' A' ' 279' ' ' LEU . 54.5 mttp -131.74 -40.58 1.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.885 -0.598 . . . . 10.0 109.578 178.647 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 496' ' ' LEU . . . . . 0.582 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 60.6 mt -70.31 -28.35 65.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.814 -0.63 . . . . 10.0 111.669 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 497' ' ' SER . . . . . 0.45 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 22.1 m -79.2 -62.89 0.41 Allowed Pre-proline 0 CA--C 1.536 0.408 0 C-N-CA 120.641 -0.423 . . . . 10.0 111.681 178.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 498' ' ' PRO . . . . . 0.45 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 22.8 Cg_endo -62.13 -60.68 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 C-N-CA 122.032 1.821 . . . . 10.0 112.311 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 499' ' ' LEU . . . . . 0.6 HD11 ' HG2' ' A' ' 275' ' ' LYS . 5.6 mp -65.52 -26.45 67.9 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 116.751 -0.204 . . . . 10.0 110.505 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 500' ' ' GLY . . . . . 0.582 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -64.39 -48.21 76.39 Favored Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 110.971 -0.852 . . . . 10.0 110.971 178.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -70.61 -29.88 66.39 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 109.138 -0.69 . . . . 10.0 109.138 178.689 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 502' ' ' GLU . . . . . 0.555 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 28.5 tt0 -66.75 -45.42 78.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.53 -0.759 . . . . 10.0 109.286 178.716 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 81.4 mmm -62.11 -37.94 87.03 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.16 0.505 . . . . 10.0 109.832 178.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 504' ' ' ARG . . . . . 0.477 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 87.9 mtt180 -67.08 -41.87 85.62 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.755 -0.657 . . . . 10.0 109.55 178.609 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 505' ' ' ASP . . . . . 0.462 ' HA ' ' HD2' ' D' ' 508' ' ' ARG . 5.4 t0 -64.58 -39.82 94.42 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.544 -0.753 . . . . 10.0 109.582 179.263 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 506' ' ' ARG . . . . . 0.555 ' HG3' ' O ' ' D' ' 502' ' ' GLU . 84.3 mtt180 -62.4 -45.39 93.33 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 108.016 -1.105 . . . . 10.0 108.016 177.52 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -59.61 -39.94 85.9 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-N 115.371 -0.831 . . . . 10.0 109.869 179.021 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 508' ' ' ARG . . . . . 0.477 ' HG3' ' O ' ' D' ' 504' ' ' ARG . 73.6 mtt180 -58.23 -46.87 85.12 Favored 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 109.435 -0.58 . . . . 10.0 109.435 178.437 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 509' ' ' ALA . . . . . 0.631 ' HB1' ' HE3' ' A' ' 264' ' ' LYS . . . -65.15 -40.99 95.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.591 -0.732 . . . . 10.0 110.234 179.327 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 510' ' ' HIS . . . . . 0.49 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 33.7 m-70 -61.2 -51.0 70.85 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.066 -0.516 . . . . 10.0 110.128 179.176 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 511' ' ' VAL . . . . . 0.447 ' O ' ' HG3' ' D' ' 515' ' ' ARG . 60.7 t -65.06 -37.98 81.61 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.122 0 N-CA-C 110.029 -0.36 . . . . 10.0 110.029 179.173 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -57.99 -44.11 86.99 Favored 'General case' 0 CA--C 1.52 -0.188 0 N-CA-C 108.966 -0.754 . . . . 10.0 108.966 178.157 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -67.83 -44.24 77.67 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.557 -0.747 . . . . 10.0 109.308 178.598 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 514' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' D' ' 510' ' ' HIS . 97.7 mt -56.79 -37.9 71.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.101 179.374 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 515' ' ' ARG . . . . . 0.458 ' O ' ' HB3' ' D' ' 519' ' ' ALA . 64.1 mtt180 -65.81 -30.27 70.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.909 0.385 . . . . 10.0 110.853 179.544 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.18 0.59 46.16 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 116.092 -0.504 . . . . 10.0 111.229 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 517' ' ' HIS . . . . . 0.412 ' O ' ' HB2' ' D' ' 521' ' ' TYR . 23.3 m170 -111.45 -54.93 2.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.129 0.49 . . . . 10.0 110.952 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 56.2 mt -75.46 -52.51 10.54 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.845 -0.616 . . . . 10.0 112.144 -178.226 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 519' ' ' ALA . . . . . 0.618 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -52.75 -55.88 28.58 Favored Pre-proline 0 N--CA 1.468 0.428 0 N-CA-C 113.025 0.75 . . . . 10.0 113.025 -178.649 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 520' ' ' PRO . . . . . 0.618 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 47.2 Cg_exo -60.73 -41.33 47.41 Favored 'Trans proline' 0 C--N 1.354 0.85 0 C-N-CA 121.793 1.662 . . . . 10.0 111.388 179.113 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 521' ' ' TYR . . . . . 0.412 ' HB2' ' O ' ' D' ' 517' ' ' HIS . 5.2 t80 -65.65 -31.47 72.51 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.811 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 522' ' ' SER . . . . . 0.482 ' O ' ' HG3' ' D' ' 526' ' ' ARG . 74.7 m -63.47 -35.48 80.58 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.657 -0.497 . . . . 10.0 109.657 178.587 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 523' ' ' ASP . . . . . 0.71 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 6.6 t0 -67.1 -39.84 86.78 Favored 'General case' 0 C--O 1.231 0.092 0 N-CA-C 109.03 -0.73 . . . . 10.0 109.03 178.782 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.43 -39.32 88.87 Favored 'General case' 0 C--O 1.232 0.181 0 N-CA-C 108.96 -0.756 . . . . 10.0 108.96 177.77 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 62.7 mt -64.59 -34.38 78.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.475 -0.784 . . . . 10.0 109.984 178.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 526' ' ' ARG . . . . . 0.71 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 91.6 mtt180 -62.59 -43.2 99.39 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 108.97 -0.752 . . . . 10.0 108.97 178.445 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -63.2 -41.7 99.21 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.455 -0.793 . . . . 10.0 109.91 179.102 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 528' ' ' ARG . . . . . 0.69 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 47.9 mtt180 -67.54 -40.2 85.01 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.771 -0.65 . . . . 10.0 109.782 179.351 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 20.3 mt -64.33 -39.43 93.89 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.65 -0.5 . . . . 10.0 109.65 178.394 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -61.87 -40.14 94.36 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.138 179.205 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -74.42 -41.06 61.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.238 179.298 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 532' ' ' ARG . . . . . 0.545 ' O ' ' HG ' ' D' ' 536' ' ' LEU . 10.8 ttm180 -63.57 -51.0 67.26 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.325 -0.62 . . . . 10.0 109.325 179.288 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 71.0 mt -64.41 -28.54 69.75 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.057 -0.52 . . . . 10.0 110.21 179.037 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -62.95 -47.72 81.97 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 108.889 -0.782 . . . . 10.0 108.889 178.025 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -64.21 -37.6 88.05 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 109.207 -0.664 . . . . 10.0 109.207 179.072 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 536' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' D' ' 532' ' ' ARG . 85.4 mt -69.66 -24.41 63.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.803 -0.635 . . . . 10.0 111.26 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 38.6 mtmt -86.84 -39.96 15.36 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.029 0.443 . . . . 10.0 110.015 178.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -67.21 -56.99 7.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.778 -0.646 . . . . 10.0 109.376 178.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 539' ' ' ASN . . . . . 0.502 ' OD1' ' HE3' ' A' ' 234' ' ' LYS . 74.3 m-20 -71.57 -23.48 61.75 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.699 -0.682 . . . . 10.0 109.612 179.683 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 540' ' ' GLY . . . . . 0.626 ' O ' ' HG ' ' D' ' 544' ' ' LEU . . . -71.49 -43.61 52.89 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 110.021 -1.232 . . . . 10.0 110.021 178.229 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -64.18 -38.58 96.13 Favored Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 109.771 -1.332 . . . . 10.0 109.771 178.283 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -62.2 -48.26 80.79 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 108.225 -1.028 . . . . 10.0 108.225 177.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 28.3 mtt85 -59.68 -32.7 70.73 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.775 -0.648 . . . . 10.0 111.054 179.174 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 544' ' ' LEU . . . . . 0.626 ' HG ' ' O ' ' D' ' 540' ' ' GLY . 81.5 mt -64.0 -47.61 79.64 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.159 -0.682 . . . . 10.0 109.159 178.579 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -65.56 -42.59 91.68 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 115.898 -0.592 . . . . 10.0 109.638 178.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 546' ' ' GLU . . . . . 0.547 ' O ' ' HD2' ' D' ' 550' ' ' LYS . 54.3 mt-10 -61.77 -51.69 67.29 Favored 'General case' 0 C--O 1.22 -0.461 0 CA-C-N 115.78 -0.645 . . . . 10.0 110.361 179.301 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -59.28 -39.1 81.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.36 -0.382 . . . . 10.0 110.753 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 3.5 m170 -67.85 -44.68 76.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.889 0.376 . . . . 10.0 110.3 179.232 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -66.28 -39.64 89.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.869 -0.605 . . . . 10.0 110.281 179.285 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 550' ' ' LYS . . . . . 0.547 ' HD2' ' O ' ' D' ' 546' ' ' GLU . 0.0 OUTLIER -70.66 -30.81 67.51 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.044 179.009 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -71.85 -43.93 64.69 Favored 'General case' 0 C--O 1.236 0.368 0 O-C-N 123.281 0.363 . . . . 10.0 110.233 179.363 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.03 -49.63 73.84 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 109.215 -0.661 . . . . 10.0 109.215 178.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -60.72 -38.47 85.18 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.694 -0.685 . . . . 10.0 110.116 178.517 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 554' ' ' HIS . . . . . 0.544 ' HB2' ' O ' ' D' ' 550' ' ' LYS . 41.4 t60 -62.37 -42.2 99.22 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.014 -0.539 . . . . 10.0 109.597 178.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 36.0 tp -64.12 -33.81 76.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.922 -0.581 . . . . 10.0 109.86 179.315 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 9.7 m -62.18 -48.94 77.81 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 109.323 -0.621 . . . . 10.0 109.323 178.245 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 557' ' ' THR . . . . . 0.598 HG22 ' HD2' ' A' ' 216' ' ' LYS . 0.5 OUTLIER -67.94 -36.27 79.82 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.967 -0.56 . . . . 10.0 110.546 179.358 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 25.7 mt -62.26 -55.38 28.97 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.669 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 12.3 p -65.34 -33.65 76.47 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 120.663 0.268 . . . . 10.0 111.427 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -58.88 -36.18 74.21 Favored 'General case' 0 N--CA 1.46 0.07 0 CA-C-N 115.868 -0.605 . . . . 10.0 110.86 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 10.4 mptt -99.5 -32.35 11.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.099 -0.5 . . . . 10.0 112.317 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -58.64 -48.2 81.85 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.483 0.549 . . . . 10.0 112.483 -179.174 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -55.81 -59.9 10.21 Favored Pre-proline 0 CA--C 1.534 0.363 0 N-CA-C 112.407 0.521 . . . . 10.0 112.407 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -64.34 -33.92 56.98 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 122.042 1.828 . . . . 10.0 112.326 179.267 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -65.41 -49.05 70.69 Favored 'General case' 0 CA--C 1.52 -0.178 0 N-CA-C 110.441 -0.207 . . . . 10.0 110.441 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 37.8 mt -62.63 -40.33 96.67 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.759 -0.46 . . . . 10.0 109.759 179.255 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -63.84 -49.72 71.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.035 178.476 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.87 -38.66 89.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.657 179.294 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 21.8 mt -65.89 -46.13 79.46 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 116.176 -0.466 . . . . 10.0 110.124 178.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 570' ' ' ARG . . . . . 0.454 ' O ' ' HG ' ' D' ' 574' ' ' LEU . 68.0 mtt180 -63.26 -46.24 87.79 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 110.294 -0.261 . . . . 10.0 110.294 179.029 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -67.68 -19.85 65.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 10.0 111.389 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -89.96 -40.9 5.75 Favored Glycine 0 N--CA 1.446 -0.654 0 N-CA-C 110.492 -1.043 . . . . 10.0 110.492 178.387 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 573' ' ' LEU . . . . . 0.74 ' HA ' HG12 ' D' ' 576' ' ' VAL . 79.1 mt -68.86 -35.22 76.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.691 -0.255 . . . . 10.0 111.621 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 574' ' ' LEU . . . . . 0.605 ' O ' ' HG2' ' D' ' 578' ' ' GLU . 67.7 mt -50.71 -63.47 1.86 Allowed Pre-proline 0 CA--C 1.536 0.417 0 N-CA-C 111.885 0.328 . . . . 10.0 111.885 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 575' ' ' PRO . . . . . 0.455 ' HD3' ' HB2' ' D' ' 574' ' ' LEU . 55.2 Cg_endo -71.56 -35.51 7.89 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 121.8 1.667 . . . . 10.0 112.46 179.709 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 576' ' ' VAL . . . . . 0.74 HG12 ' HA ' ' D' ' 573' ' ' LEU . 0.3 OUTLIER -63.16 -39.94 87.13 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.133 0 C-N-CA 120.95 -0.3 . . . . 10.0 111.535 -179.455 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 34.3 mt -70.21 -33.09 71.27 Favored 'General case' 0 CA--C 1.516 -0.336 0 N-CA-C 109.705 -0.48 . . . . 10.0 109.705 178.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 578' ' ' GLU . . . . . 0.605 ' HG2' ' O ' ' D' ' 574' ' ' LEU . 30.7 mm-40 -65.72 -44.51 85.82 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.983 -0.747 . . . . 10.0 108.983 178.016 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 15.5 m -65.43 -39.39 92.04 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 115.511 -0.768 . . . . 10.0 108.974 178.427 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -62.27 -39.9 94.45 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.073 -0.512 . . . . 10.0 109.861 178.539 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -59.26 -40.23 85.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.934 -0.576 . . . . 10.0 109.841 178.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 582' ' ' VAL . . . . . 0.401 HG23 ' O ' ' D' ' 578' ' ' GLU . 65.0 t -62.77 -46.58 95.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.376 179.309 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.06 -37.6 86.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.362 -0.381 . . . . 10.0 111.078 179.492 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -68.06 -41.46 81.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.292 -0.413 . . . . 10.0 110.637 179.113 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 36.8 mt -62.14 -53.66 52.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.819 179.442 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 3.8 p -58.68 -36.06 73.61 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.009 0.433 . . . . 10.0 110.598 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 587' ' ' ALA . . . . . 0.701 ' HA ' ' HE2' ' A' ' 396' ' ' LYS . . . -66.8 -51.87 50.64 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 116.171 -0.468 . . . . 10.0 110.525 179.25 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 84.8 mt -61.02 -41.46 96.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.421 -0.354 . . . . 10.0 111.061 -179.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -60.62 -48.46 81.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 10.0 111.301 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -73.48 -31.46 63.76 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.704 0.261 . . . . 10.0 111.704 -179.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -61.02 -41.7 97.06 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.29 -0.414 . . . . 10.0 111.057 179.306 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 592' ' ' THR . . . . . 0.405 HG23 ' H49' ' D' ' 630' ' ' 17F . 0.2 OUTLIER -68.93 -32.73 72.56 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 121.039 -0.264 . . . . 10.0 111.179 -179.705 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -72.69 -41.86 64.87 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.964 0.411 . . . . 10.0 110.422 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 594' ' ' LYS . . . . . 0.419 ' HE2' ' HB2' ' A' ' 388' ' ' SER . 7.9 mptt -72.37 -20.09 61.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.877 179.578 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 97.4 mt -108.98 31.39 5.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.959 -0.564 . . . . 10.0 109.962 179.078 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 . . . . . 0 C--N 1.326 -0.426 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.837 179.506 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.911 0.386 . . . . 10.0 110.634 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 2' ' ' THR . . . . . 0.435 ' HB ' ' CE2' ' B' ' 4' ' ' TYR . 0.0 OUTLIER -71.14 130.34 41.23 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.79 -179.883 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -97.61 134.41 40.86 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.306 -0.406 . . . . 10.0 111.157 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' TYR . . . . . 0.435 ' CE2' ' HB ' ' B' ' 2' ' ' THR . 79.5 m-85 -128.31 118.55 23.44 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.019 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.577 ' HA ' ' HB3' ' B' ' 54' ' ' ASP . 63.2 mttm -88.64 115.72 26.37 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.134 0.493 . . . . 10.0 110.243 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 14.4 mt -112.25 135.14 53.29 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.632 -0.713 . . . . 10.0 110.624 -178.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 57.2 t -118.74 125.14 74.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.282 179.213 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.459 HG12 ' HD2' ' B' ' 16' ' ' LYS . 6.5 t -92.99 119.4 40.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 109.52 -0.548 . . . . 10.0 109.52 179.723 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 11.7 m -121.43 154.09 25.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.442 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 153.53 174.72 24.09 Favored Glycine 0 N--CA 1.445 -0.763 0 N-CA-C 111.081 -0.808 . . . . 10.0 111.081 -179.302 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.44 -172.68 1.22 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.254 0.55 . . . . 10.0 111.766 -179.289 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -90.89 144.25 25.88 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.682 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' GLY . . . . . 0.674 ' HA2' H5'1 ' B' ' 201' ' ' GSP . . . 76.18 8.1 85.04 Favored Glycine 0 C--N 1.322 -0.244 0 C-N-CA 120.974 -0.631 . . . . 10.0 113.947 178.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.485 HG12 ' HB2' ' B' ' 83' ' ' ALA . 26.8 m -79.85 -29.75 13.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 117.069 0.435 . . . . 10.0 111.864 -179.611 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 15' ' ' GLY . . . . . 0.495 ' HA2' ' H8 ' ' B' ' 201' ' ' GSP . . . 111.13 26.91 4.44 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.608 -0.806 . . . . 10.0 113.578 179.101 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.459 ' HD2' HG12 ' B' ' 8' ' ' VAL . 27.1 mtmm -62.96 -47.66 82.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.36 0.6 . . . . 10.0 110.771 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 3.5 m -73.59 -35.34 65.4 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.522 -0.763 . . . . 10.0 111.081 -178.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.82 -45.54 93.39 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.398 179.631 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 68.8 mt -61.94 -44.71 96.2 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 120.977 0.418 . . . . 10.0 110.879 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 16.8 m -64.84 -49.41 70.7 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.704 -0.68 . . . . 10.0 112.17 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 62.0 mt -58.17 -38.11 66.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-O 120.925 0.393 . . . . 10.0 111.321 -179.5 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' GLN . . . . . 0.535 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 11.1 mm-40 -62.62 -31.2 72.01 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.763 0.653 . . . . 10.0 112.763 -179.556 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 38.3 tp -92.17 -32.45 15.1 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.081 0.467 . . . . 10.0 111.611 -179.454 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.454 HD11 HD12 ' B' ' 55' ' ' ILE . 49.9 mm -81.2 -66.66 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.896 -179.529 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -85.17 -21.18 29.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.309 -0.405 . . . . 10.0 111.863 -177.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' ASN . . . . . 0.535 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 31.4 m-80 67.0 70.44 0.38 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 113.708 1.003 . . . . 10.0 113.708 178.196 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 4.9 p80 -177.42 155.0 1.05 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.768 178.355 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -97.29 130.0 44.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.053 0.454 . . . . 10.0 111.345 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 3.3 m -99.93 119.54 48.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.667 -0.697 . . . . 10.0 110.325 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -90.08 -26.02 20.47 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.446 0.641 . . . . 10.0 109.391 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.445 ' HG2' ' H ' ' B' ' 31' ' ' GLU . 0.5 OUTLIER -69.29 130.9 43.89 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.368 -0.833 . . . . 10.0 110.448 -179.765 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 32' ' ' TYR . . . . . 0.4 ' CE1' H5'2 ' B' ' 201' ' ' GSP . 32.8 t80 -88.07 108.58 19.31 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.944 0.402 . . . . 10.0 110.486 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -122.22 107.96 34.5 Favored Pre-proline 0 C--N 1.319 -0.756 0 CA-C-N 115.816 -0.629 . . . . 10.0 110.071 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo -68.24 86.03 0.42 Allowed 'Trans proline' 0 C--O 1.233 0.253 0 C-N-CA 122.742 2.295 . . . . 10.0 110.902 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.411 ' OG1' ' O3G' ' B' ' 201' ' ' GSP . 10.7 p -68.9 134.6 49.82 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.16 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 50.5 mm -78.61 -57.49 5.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 O-C-N 123.435 0.46 . . . . 10.0 110.334 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -156.51 101.38 2.01 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.062 -0.718 . . . . 10.0 109.062 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.84 122.65 48.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.657 -0.247 . . . . 10.0 111.219 -178.524 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 14.7 p -105.15 144.6 31.71 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.725 0.298 . . . . 10.0 110.851 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -137.65 140.44 40.85 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.461 -0.336 . . . . 10.0 110.267 -179.246 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.502 ' HD3' ' HA ' ' B' ' 54' ' ' ASP . 0.2 OUTLIER -123.73 125.24 44.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.766 0.317 . . . . 10.0 110.565 -179.878 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 64.4 tttt -145.88 142.46 28.8 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.466 -0.334 . . . . 10.0 110.822 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -105.56 116.19 31.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.374 -0.375 . . . . 10.0 110.664 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 11.8 m -127.47 167.22 22.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.07 -0.514 . . . . 10.0 110.728 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 42.4 t -104.87 106.07 19.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 109.858 -0.423 . . . . 10.0 109.858 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 56.7 mt -112.64 122.82 67.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.717 -179.274 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' ASP . . . . . 0.851 ' HB2' HH12 ' B' ' 164' ' ' ARG . 27.4 m-20 63.16 22.53 13.44 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.59 -0.732 . . . . 10.0 111.359 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.2 8.39 68.73 Favored Glycine 0 CA--C 1.52 0.347 0 C-N-CA 120.968 -0.634 . . . . 10.0 112.599 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.403 ' HB3' ' NH2' ' B' ' 164' ' ' ARG . 14.3 tt0 -119.21 130.82 55.68 Favored 'General case' 0 C--N 1.322 -0.595 0 O-C-N 122.839 -0.213 . . . . 10.0 110.686 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 30.0 m -75.4 117.74 17.52 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.649 -0.871 . . . . 10.0 108.649 178.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' CYS . . . . . 0.403 ' HB3' ' CD2' ' B' ' 4' ' ' TYR . 6.7 m -119.86 144.54 47.32 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.234 0.54 . . . . 10.0 112.456 -178.426 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 58.8 tp -99.42 108.2 20.62 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 107.572 -1.27 . . . . 10.0 107.572 177.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' LEU . . . . . 0.406 ' O ' ' HA ' ' B' ' 41' ' ' ARG . 36.8 mt -86.72 121.31 29.04 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 113.013 0.746 . . . . 10.0 113.013 -178.3 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 54' ' ' ASP . . . . . 0.577 ' HB3' ' HA ' ' B' ' 5' ' ' LYS . 15.3 t70 -105.34 89.91 3.26 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 107.277 -1.379 . . . . 10.0 107.277 177.762 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 55' ' ' ILE . . . . . 0.454 HD12 HD11 ' B' ' 24' ' ' ILE . 13.8 mt -92.37 142.62 12.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 112.159 0.429 . . . . 10.0 112.159 -177.257 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 35.3 tp -133.59 106.84 7.63 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.079 -0.509 . . . . 10.0 110.678 179.092 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -86.44 106.04 17.18 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.519 -0.548 . . . . 10.0 109.519 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 70.5 p -84.21 174.43 10.21 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.074 -0.512 . . . . 10.0 111.377 -178.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -97.38 134.72 40.27 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.052 0.454 . . . . 10.0 110.463 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -100.34 28.9 13.63 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.489 -0.862 . . . . 10.0 112.829 -179.279 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -89.12 1.65 55.29 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.424 0.154 . . . . 10.0 111.16 -179.269 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 68.28 -172.73 0.19 Allowed 'General case' 0 N--CA 1.466 0.351 0 O-C-N 123.818 0.699 . . . . 10.0 111.131 179.682 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 70.64 23.63 4.6 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 122.961 0.505 . . . . 10.0 111.237 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 64' ' ' TYR . . . . . 0.517 ' O ' ' HB2' ' B' ' 68' ' ' ARG . 58.2 m-85 -115.56 31.9 6.41 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.667 -0.697 . . . . 10.0 111.075 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 31.6 m -54.81 -33.82 61.98 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 112.997 0.74 . . . . 10.0 112.997 -179.04 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.46 -48.07 8.74 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 121.077 -0.249 . . . . 10.0 111.602 -179.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 11.4 mtp -65.71 -28.66 69.22 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 112.811 0.671 . . . . 10.0 112.811 -178.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 68' ' ' ARG . . . . . 0.654 ' HB3' HE22 ' B' ' 99' ' ' GLN . 5.9 ttp180 -60.93 -33.25 72.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.066 0.46 . . . . 10.0 111.004 -179.642 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -64.12 -26.99 68.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.309 -0.86 . . . . 10.0 111.763 -179.353 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -70.49 -65.5 0.72 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.753 0.649 . . . . 10.0 112.753 -179.017 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 71' ' ' TYR . . . . . 0.642 ' CZ ' ' HA ' ' B' ' 68' ' ' ARG . 20.3 p90 -66.99 -19.5 65.73 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 113.749 1.018 . . . . 10.0 113.749 -178.358 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 72' ' ' MET . . . . . 0.426 ' HE3' ' HG2' ' B' ' 68' ' ' ARG . 25.0 mtt -66.51 -29.66 69.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.352 0.596 . . . . 10.0 110.911 179.417 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 73' ' ' ARG . . . . . 0.721 ' HG3' HG12 ' B' ' 103' ' ' VAL . 16.8 mtm180 -87.1 -32.6 19.84 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.939 0.4 . . . . 10.0 110.975 179.516 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 1.5 m -71.79 -44.51 63.86 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.893 -0.594 . . . . 10.0 112.018 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -75.73 151.84 41.74 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.715 -0.755 . . . . 10.0 113.181 -178.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -105.31 -53.33 2.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.407 0.622 . . . . 10.0 109.583 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -98.0 125.12 8.41 Favored Glycine 0 N--CA 1.447 -0.632 0 CA-C-N 115.584 -0.735 . . . . 10.0 111.866 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 78' ' ' PHE . . . . . 0.729 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 98.0 m-85 -109.13 114.38 28.05 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.185 0.517 . . . . 10.0 111.308 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.512 ' HB2' HD22 ' B' ' 159' ' ' LEU . 17.8 tp -92.31 106.9 18.81 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.538 -0.755 . . . . 10.0 109.656 179.601 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 80' ' ' CYS . . . . . 0.764 ' HB3' HD12 ' B' ' 93' ' ' ILE . 52.5 m -85.33 98.46 10.55 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.454 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 81' ' ' VAL . . . . . 0.42 ' HA ' ' O ' ' B' ' 114' ' ' VAL . 39.7 t -99.26 123.28 51.85 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.158 -179.611 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -126.82 160.69 30.16 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.807 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.676 ' HB3' ' HB3' ' B' ' 86' ' ' ASN . . . -94.71 124.04 38.51 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.816 -0.629 . . . . 10.0 109.526 179.685 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 84' ' ' ILE . . . . . 0.612 HD13 ' HA ' ' B' ' 118' ' ' CYS . 19.6 pt -66.25 -16.43 20.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.712 0.291 . . . . 10.0 111.688 -179.452 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 18.2 p-10 -101.08 4.93 42.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.177 0.513 . . . . 10.0 110.764 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.676 ' HB3' ' HB3' ' B' ' 83' ' ' ALA . 42.4 t30 -134.54 91.73 2.82 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.959 -0.564 . . . . 10.0 109.88 179.456 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 87' ' ' THR . . . . . 0.463 ' O ' ' HG3' ' B' ' 91' ' ' GLU . 0.3 OUTLIER -57.69 -30.05 65.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.833 -0.621 . . . . 10.0 111.913 -178.736 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 24.0 tptp -58.93 -43.63 91.2 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.469 -0.332 . . . . 10.0 111.055 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 90.1 p -66.59 -23.4 66.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.085 0.469 . . . . 10.0 110.743 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -79.64 -37.04 36.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.834 -0.621 . . . . 10.0 109.467 178.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.463 ' HG3' ' O ' ' B' ' 87' ' ' THR . 48.4 mt-10 -70.6 -35.15 72.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.799 -0.637 . . . . 10.0 109.656 179.051 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -65.33 -19.51 65.99 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.684 -0.689 . . . . 10.0 111.19 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 93' ' ' ILE . . . . . 0.764 HD12 ' HB3' ' B' ' 80' ' ' CYS . 33.3 mm -60.27 -37.33 73.39 Favored 'Isoleucine or valine' 0 C--O 1.236 0.373 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.119 179.459 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 79.9 t60 -67.65 -43.17 80.91 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 109.609 -0.515 . . . . 10.0 109.609 178.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 38.1 m80 -59.93 -45.05 93.84 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.54 -0.754 . . . . 10.0 109.888 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 96' ' ' TYR . . . . . 0.433 ' O ' HG13 ' B' ' 100' ' ' ILE . 8.1 m-85 -57.6 -50.78 72.01 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.76 -0.655 . . . . 10.0 110.529 179.376 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 55.7 ttt-85 -59.34 -43.21 92.79 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.96 -0.564 . . . . 10.0 111.553 -179.297 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -60.0 -34.87 73.92 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.012 0.375 . . . . 10.0 112.012 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 99' ' ' GLN . . . . . 0.654 HE22 ' HB3' ' B' ' 68' ' ' ARG . 26.8 tt0 -77.94 -40.78 38.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.556 0.217 . . . . 10.0 110.969 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 100' ' ' ILE . . . . . 0.433 HG13 ' O ' ' B' ' 96' ' ' TYR . 96.6 mt -55.2 -45.68 77.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 CA-C-O 121.098 0.475 . . . . 10.0 110.759 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 101' ' ' LYS . . . . . 0.423 ' HE3' ' HB2' ' B' ' 101' ' ' LYS . 38.0 mtmt -63.58 -26.65 68.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.746 -0.661 . . . . 10.0 112.192 -179.613 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 27.8 ttm180 -81.86 -43.16 18.6 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.045 0.45 . . . . 10.0 110.62 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 103' ' ' VAL . . . . . 0.721 HG12 ' HG3' ' B' ' 73' ' ' ARG . 60.8 t -67.57 -41.69 86.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.005 -0.543 . . . . 10.0 111.791 -179.193 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -92.0 -6.82 50.47 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.741 0.305 . . . . 10.0 111.31 -179.335 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 27.0 t0 51.65 60.67 3.68 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.752 -0.658 . . . . 10.0 111.581 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 5.9 t -178.48 145.19 0.32 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.465 -0.789 . . . . 10.0 109.626 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -89.79 -21.47 22.61 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.337 -0.616 . . . . 10.0 109.337 179.04 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.32 88.81 7.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.615 -0.721 . . . . 10.0 110.697 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 65.3 t -132.23 128.81 21.42 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 115.96 -0.564 . . . . 10.0 109.725 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -56.8 104.87 0.15 Allowed 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.861 2.374 . . . . 10.0 111.786 179.293 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 111' ' ' MET . . . . . 0.729 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 59.4 mtm -135.09 149.3 50.04 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.768 -179.188 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 112' ' ' VAL . . . . . 0.451 HG13 ' HG2' ' B' ' 140' ' ' PRO . 88.4 t -136.63 135.14 49.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 109.088 -0.708 . . . . 10.0 109.088 179.555 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 113' ' ' LEU . . . . . 0.433 ' O ' ' HA ' ' B' ' 141' ' ' PHE . 24.8 tp -95.0 123.92 38.75 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.574 -0.528 . . . . 10.0 109.574 179.204 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 114' ' ' VAL . . . . . 0.436 HG22 ' HB ' ' B' ' 142' ' ' ILE . 37.3 t -133.46 131.84 57.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.896 0.379 . . . . 10.0 111.887 -178.707 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -104.25 136.5 13.06 Favored Glycine 0 N--CA 1.449 -0.464 0 N-CA-C 110.038 -1.225 . . . . 10.0 110.038 178.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -108.22 159.93 16.23 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 117.093 0.447 . . . . 10.0 111.458 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 117' ' ' LYS . . . . . 0.79 ' HB3' HD12 ' B' ' 120' ' ' LEU . 72.4 mttt 64.75 33.63 10.18 Favored 'General case' 0 N--CA 1.466 0.373 0 O-C-N 123.726 0.641 . . . . 10.0 111.379 179.516 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 118' ' ' CYS . . . . . 0.612 ' HA ' HD13 ' B' ' 84' ' ' ILE . 74.4 m -67.56 -11.95 59.24 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.713 0.634 . . . . 10.0 112.713 -179.641 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -86.93 -11.2 51.33 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.765 0.317 . . . . 10.0 110.464 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 120' ' ' LEU . . . . . 0.79 HD12 ' HB3' ' B' ' 117' ' ' LYS . 81.6 mt -88.51 137.18 30.65 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.006 179.328 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_endo -77.04 173.42 14.47 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 122.92 2.413 . . . . 10.0 113.26 -178.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 46.7 m 66.02 52.68 1.17 Allowed 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.369 -0.832 . . . . 10.0 112.522 179.419 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 123' ' ' ARG . . . . . 0.501 ' HB3' HD12 ' B' ' 84' ' ' ILE . 13.9 ptp180 -84.4 142.47 30.11 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.434 179.499 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 5.8 p -90.97 -47.11 7.77 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 110.213 -0.292 . . . . 10.0 110.213 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 47.8 t -80.83 110.04 15.89 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 N-CA-C 109.456 -0.572 . . . . 10.0 109.456 179.081 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -69.51 144.83 53.06 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.828 -0.623 . . . . 10.0 110.199 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.78 -38.48 64.51 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.883 -0.598 . . . . 10.0 112.026 -179.71 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 128' ' ' LYS . . . . . 0.658 ' HG2' ' H ' ' C' ' 47' ' ' ASP . 1.3 mppt? -63.58 -51.8 63.78 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 112.57 0.581 . . . . 10.0 112.57 -178.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -64.09 -34.75 78.74 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.798 0.295 . . . . 10.0 111.798 -179.526 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.24 -39.2 86.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.206 0.527 . . . . 10.0 109.887 179.375 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -72.24 -37.77 69.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.78 -0.645 . . . . 10.0 110.825 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -62.72 -43.56 98.48 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.248 -0.433 . . . . 10.0 111.179 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 27.7 tp -61.82 -40.2 94.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.143 0.497 . . . . 10.0 110.206 179.419 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -67.39 -36.44 81.31 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.726 -0.67 . . . . 10.0 109.745 179.259 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -63.72 -38.81 92.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.624 -0.716 . . . . 10.0 109.678 178.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 22.0 t -61.96 -35.25 77.88 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.434 -0.803 . . . . 10.0 111.534 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -92.04 -16.2 26.79 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.293 0.479 . . . . 10.0 112.293 -179.275 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 84.27 32.1 23.68 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.641 -0.79 . . . . 10.0 112.346 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 23.0 pt -118.33 153.47 51.71 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-O 120.684 0.278 . . . . 10.0 110.815 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 140' ' ' PRO . . . . . 0.451 ' HG2' HG13 ' B' ' 112' ' ' VAL . 75.1 Cg_endo -79.09 151.32 23.65 Favored 'Trans proline' 0 N--CA 1.463 -0.32 0 C-N-CA 122.414 2.076 . . . . 10.0 111.83 179.41 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 141' ' ' PHE . . . . . 0.433 ' HA ' ' O ' ' B' ' 113' ' ' LEU . 74.8 t80 -123.58 130.5 52.76 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.101 179.45 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 142' ' ' ILE . . . . . 0.436 ' HB ' HG22 ' B' ' 114' ' ' VAL . 26.1 mt -130.33 132.4 64.93 Favored 'Isoleucine or valine' 0 C--O 1.237 0.416 0 CA-C-N 116.206 -0.452 . . . . 10.0 111.261 -179.261 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -89.35 125.9 35.32 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.943 -0.762 . . . . 10.0 108.943 178.326 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 60.6 p -132.07 -180.0 5.75 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.798 0.809 . . . . 10.0 112.449 -178.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 8.7 t -162.66 122.41 2.31 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 114.897 -1.047 . . . . 10.0 108.317 179.326 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 146' ' ' ALA . . . . . 0.628 ' HB3' ' N7 ' ' B' ' 201' ' ' GSP . . . -74.3 -28.39 61.16 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.946 -0.761 . . . . 10.0 108.946 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 147' ' ' LYS . . . . . 0.44 ' HB2' ' N1 ' ' B' ' 201' ' ' GSP . 79.0 tttt -62.0 -46.23 90.13 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.895 -1.048 . . . . 10.0 111.116 179.415 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 4.6 p -98.96 -11.06 21.93 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 112.146 0.424 . . . . 10.0 112.146 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.99 17.48 10.12 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.445 0.698 . . . . 10.0 112.564 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -87.63 137.87 31.96 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.086 -0.506 . . . . 10.0 111.32 -179.218 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 84.05 -14.88 41.46 Favored Glycine 0 C--N 1.332 0.313 0 CA-C-N 116.006 -0.543 . . . . 10.0 113.659 178.218 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 20.1 t -63.38 -37.72 80.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.661 0.267 . . . . 10.0 111.575 -178.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -61.26 -48.8 79.76 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 121.113 0.482 . . . . 10.0 110.074 179.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -63.52 -40.11 96.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.599 -0.728 . . . . 10.0 110.915 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -56.92 -50.54 72.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.373 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -69.89 -40.6 75.57 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.086 -0.506 . . . . 10.0 111.975 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 4.5 m-30 -64.89 -44.79 88.46 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.91 0.386 . . . . 10.0 110.716 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 158' ' ' THR . . . . . 0.428 ' O ' ' HG2' ' B' ' 162' ' ' GLU . 58.7 m -65.42 -31.71 72.95 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.076 -0.511 . . . . 10.0 111.301 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 159' ' ' LEU . . . . . 0.512 HD22 ' HB2' ' B' ' 79' ' ' LEU . 29.9 tp -61.59 -40.88 96.37 Favored 'General case' 0 C--N 1.334 -0.094 0 N-CA-C 109.548 -0.538 . . . . 10.0 109.548 178.681 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 79.8 t -74.14 -34.98 39.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.607 -0.724 . . . . 10.0 109.269 178.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -59.74 -42.24 92.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.435 -0.802 . . . . 10.0 110.287 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 162' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' B' ' 158' ' ' THR . 26.7 mm-40 -67.97 -34.68 77.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.781 179.456 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 163' ' ' ILE . . . . . 0.474 HG13 ' O ' ' B' ' 159' ' ' LEU . 78.9 mt -62.06 -46.63 96.04 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 N-CA-C 109.145 -0.687 . . . . 10.0 109.145 178.295 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 164' ' ' ARG . . . . . 0.851 HH12 ' HB2' ' B' ' 47' ' ' ASP . 43.9 mtt180 -62.11 -42.67 99.46 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 115.546 -0.752 . . . . 10.0 109.037 178.533 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -55.27 -49.89 70.92 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.425 -0.807 . . . . 10.0 110.131 178.583 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 21.5 t-80 -58.49 -50.43 73.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.367 -0.379 . . . . 10.0 110.899 179.223 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -63.22 -35.74 81.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.374 -0.376 . . . . 10.0 111.828 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -71.56 -43.28 66.65 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 109.121 -0.696 . . . . 10.0 109.121 178.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 169' ' ' LYS . . . . . 0.457 ' HB3' ' HE2' ' B' ' 169' ' ' LYS . 1.0 OUTLIER -62.05 -35.73 79.48 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.543 -0.753 . . . . 10.0 109.678 178.781 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 79.0 mmm -67.42 -23.85 65.59 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.889 -0.596 . . . . 10.0 111.394 179.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 8.9 m -72.61 -27.92 62.45 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.104 -0.702 . . . . 10.0 109.104 179.173 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 44.2 mtpt -89.2 -30.97 18.15 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.291 -0.868 . . . . 10.0 109.21 179.085 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 173' ' ' ASP . . . . . . . . . . . . . 21.8 t70 67.4 -76.73 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.26 0 O-C-N 124.298 0.999 . . . . 10.0 112.271 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . 159.36 75.56 0.02 OUTLIER Glycine 0 N--CA 1.443 -0.891 0 N-CA-C 111.46 -0.656 . . . . 10.0 111.46 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 175' ' ' LYS . . . . . . . . . . . . . 32.1 mtmt -65.31 153.78 40.14 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.231 -0.285 . . . . 10.0 110.231 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 176' ' ' LYS . . . . . . . . . . . . . 4.6 mmpp? -86.06 -26.67 25.2 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 112.735 0.642 . . . . 10.0 112.735 -177.271 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 177' ' ' LYS . . . . . . . . . . . . . 38.3 tttm -76.1 104.55 6.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.21 0.529 . . . . 10.0 111.559 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 52.3 pttt -132.54 18.31 4.33 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.564 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 179' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -93.02 130.96 38.43 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.844 -0.617 . . . . 10.0 110.793 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -65.96 120.65 13.49 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 109.316 -0.624 . . . . 10.0 109.316 179.101 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -124.56 99.63 6.27 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.05 0.453 . . . . 10.0 111.083 -179.101 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 182' ' ' LYS . . . . . 0.402 ' HD3' ' HA ' ' B' ' 182' ' ' LYS . 27.1 mmtp -134.93 162.63 31.89 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.308 179.598 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -90.13 87.17 6.77 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.232 -0.44 . . . . 10.0 110.569 179.671 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 184' ' ' LYS . . . . . . . . . . . . . 32.8 mmtm . . . . . 0 C--N 1.321 -0.648 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.663 179.92 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 CA--C 1.528 0.131 0 CA-C-O 121.256 0.551 . . . . 10.0 110.65 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 2' ' ' THR . . . . . 0.406 ' HB ' ' CE2' ' C' ' 4' ' ' TYR . 0.0 OUTLIER -111.02 114.43 27.73 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.9 -0.591 . . . . 10.0 109.851 179.736 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 3' ' ' GLU . . . . . 0.43 ' HA ' ' HB3' ' C' ' 52' ' ' LEU . 4.7 tt0 -82.37 143.21 31.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.409 -0.36 . . . . 10.0 111.331 -179.48 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 4' ' ' TYR . . . . . 0.406 ' CE2' ' HB ' ' C' ' 2' ' ' THR . 96.7 m-85 -138.57 119.21 14.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.087 -0.506 . . . . 10.0 109.687 179.342 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 5' ' ' LYS . . . . . 0.727 ' HA ' ' HB3' ' C' ' 54' ' ' ASP . 52.4 mttm -82.47 113.15 20.02 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.037 0.446 . . . . 10.0 111.473 -179.31 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 14.2 mt -111.51 120.85 43.5 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.758 -0.655 . . . . 10.0 110.314 -179.399 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 59.9 t -106.82 126.61 62.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.481 -0.327 . . . . 10.0 110.828 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 3.4 t -89.95 121.92 40.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.191 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 28.9 m -125.37 153.56 33.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.642 0.258 . . . . 10.0 110.812 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 159.86 -175.64 36.67 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.769 -0.729 . . . . 10.0 111.886 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -89.34 -167.04 1.75 Allowed 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 110.491 -0.188 . . . . 10.0 110.491 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 12' ' ' ASP . . . . . 0.872 ' HA ' ' S1G' ' C' ' 201' ' ' GSP . 0.0 OUTLIER -93.38 141.28 28.63 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.886 0.374 . . . . 10.0 111.502 -179.749 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 13' ' ' GLY . . . . . 0.453 ' HA2' H5'1 ' C' ' 201' ' ' GSP . . . 79.96 1.9 88.01 Favored Glycine 0 N--CA 1.452 -0.276 0 CA-C-N 115.961 -0.563 . . . . 10.0 113.85 179.198 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 34.5 m -73.46 -32.44 36.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 N-CA-C 112.273 0.472 . . . . 10.0 112.273 -179.258 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 110.78 36.26 1.9 Allowed Glycine 0 C--N 1.333 0.396 0 C-N-CA 120.645 -0.788 . . . . 10.0 113.696 179.265 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 9.4 mtmm -64.49 -47.74 77.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.199 0.523 . . . . 10.0 109.93 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 1.6 m -66.99 -45.35 77.86 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.621 -0.718 . . . . 10.0 110.76 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.36 -54.87 30.43 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 112.463 0.542 . . . . 10.0 112.463 -179.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 46.6 mt -58.62 -38.82 78.85 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.099 0.476 . . . . 10.0 111.878 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 13.3 m -71.56 -44.71 64.05 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.071 -0.513 . . . . 10.0 111.399 -179.38 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.02 -34.36 66.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.908 0.385 . . . . 10.0 111.012 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 22' ' ' GLN . . . . . 0.542 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 4.8 mm-40 -61.78 -32.93 73.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.646 179.636 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 4.0 tp -86.07 -24.57 26.27 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.195 0.522 . . . . 10.0 111.134 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 49.9 mm -91.87 -66.75 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 112.395 0.517 . . . . 10.0 112.395 -178.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -86.33 -10.83 53.68 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 112.433 0.531 . . . . 10.0 112.433 -178.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 26' ' ' ASN . . . . . 0.542 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 42.4 m-80 64.26 44.3 4.43 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 113.881 1.067 . . . . 10.0 113.881 178.038 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -154.63 154.26 32.69 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.361 0.504 . . . . 10.0 112.361 179.008 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -87.88 138.56 31.35 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.856 -0.611 . . . . 10.0 110.53 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 19.2 m -89.8 155.77 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.989 0.423 . . . . 10.0 111.026 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -128.94 7.5 5.57 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.411 0.624 . . . . 10.0 109.724 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -129.63 141.96 50.83 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.456 -0.793 . . . . 10.0 109.15 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 32' ' ' TYR . . . . . 0.568 ' CD1' H5'2 ' C' ' 201' ' ' GSP . 25.3 t80 -67.56 128.77 37.68 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.824 -0.35 . . . . 10.0 110.455 -179.729 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -112.97 95.0 32.41 Favored Pre-proline 0 C--O 1.237 0.44 0 CA-C-N 116.333 -0.394 . . . . 10.0 111.799 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_endo -79.37 78.04 3.86 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.696 2.264 . . . . 10.0 111.258 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.47 116.7 25.76 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.752 -0.658 . . . . 10.0 111.417 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 36' ' ' ILE . . . . . 0.568 ' HA ' ' HB2' ' C' ' 59' ' ' ALA . 50.7 mm -68.3 -44.84 83.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.17 -0.678 . . . . 10.0 109.17 179.439 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -164.84 104.06 0.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.628 -0.715 . . . . 10.0 110.421 178.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 38' ' ' ASP . . . . . 0.501 ' HB3' ' HB3' ' C' ' 57' ' ' ASP . 14.9 t0 -109.58 157.83 18.64 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.646 -0.706 . . . . 10.0 109.883 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -138.71 131.82 29.82 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.982 0.42 . . . . 10.0 111.749 -179.188 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -132.3 141.44 48.97 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.169 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 41' ' ' ARG . . . . . 0.462 ' HA ' ' O ' ' C' ' 53' ' ' LEU . 0.0 OUTLIER -127.59 125.68 40.71 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.347 -0.388 . . . . 10.0 110.298 179.381 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 50.5 tttt -144.6 131.16 19.92 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.229 -0.441 . . . . 10.0 110.541 -179.632 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -100.01 110.35 22.66 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.9 0.381 . . . . 10.0 110.747 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 14.6 m -126.69 160.73 34.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.721 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 45.2 t -91.06 114.36 28.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.504 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 55.7 mt -122.23 121.61 64.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.968 -0.56 . . . . 10.0 109.719 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 47' ' ' ASP . . . . . 0.658 ' H ' ' HG2' ' B' ' 128' ' ' LYS . 23.3 m-20 61.58 26.03 15.82 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.766 -0.652 . . . . 10.0 111.674 179.743 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.21 -5.46 84.23 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.999 -0.62 . . . . 10.0 111.954 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -103.58 138.58 40.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.796 0.331 . . . . 10.0 110.669 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.43 105.81 15.54 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.388 -0.968 . . . . 10.0 108.388 178.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 3.8 m -110.34 143.98 39.76 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.841 0.682 . . . . 10.0 112.841 -177.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 52' ' ' LEU . . . . . 0.43 ' HB3' ' HA ' ' C' ' 3' ' ' GLU . 51.7 tp -103.41 110.35 22.33 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.064 -1.088 . . . . 10.0 108.064 178.464 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 53' ' ' LEU . . . . . 0.462 ' O ' ' HA ' ' C' ' 41' ' ' ARG . 21.5 mt -78.46 111.14 14.18 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 112.489 0.551 . . . . 10.0 112.489 -178.193 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 54' ' ' ASP . . . . . 0.727 ' HB3' ' HA ' ' C' ' 5' ' ' LYS . 13.1 t70 -96.56 80.0 3.08 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.084 -1.45 . . . . 10.0 107.084 177.385 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 7.3 mt -84.16 131.89 32.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.73 -0.668 . . . . 10.0 112.225 -176.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 24.8 tp -124.49 103.24 8.06 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.092 -0.504 . . . . 10.0 110.348 178.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 57' ' ' ASP . . . . . 0.501 ' HB3' ' HB3' ' C' ' 38' ' ' ASP . 14.1 t70 -86.4 103.72 15.22 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.001 -0.545 . . . . 10.0 109.753 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 68.0 p -87.88 178.57 6.66 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.038 -0.528 . . . . 10.0 111.729 -178.501 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 59' ' ' ALA . . . . . 0.568 ' HB2' ' HA ' ' C' ' 36' ' ' ILE . . . -78.3 170.89 15.89 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.75 -0.659 . . . . 10.0 110.546 178.777 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 60' ' ' GLY . . . . . 0.543 ' HA3' ' S1G' ' C' ' 201' ' ' GSP . . . -136.95 18.09 3.58 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.283 -0.961 . . . . 10.0 112.809 -179.75 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -98.81 9.39 43.53 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.766 0.317 . . . . 10.0 111.34 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 58.56 -157.05 0.32 Allowed 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.609 -0.723 . . . . 10.0 112.224 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 65.29 23.59 12.15 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 121.288 0.566 . . . . 10.0 110.789 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 64' ' ' TYR . . . . . 0.637 ' HB3' ' HB3' ' C' ' 67' ' ' MET . 18.3 m-85 -132.3 41.6 3.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.486 -0.779 . . . . 10.0 111.054 -179.192 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 1.1 m -55.71 -47.53 76.7 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.295 -0.411 . . . . 10.0 111.997 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -74.98 -26.19 59.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.829 0.347 . . . . 10.0 111.786 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 67' ' ' MET . . . . . 0.637 ' HB3' ' HB3' ' C' ' 64' ' ' TYR . 24.6 ttt -75.89 -45.91 32.92 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.25 0.548 . . . . 10.0 110.119 179.669 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 68' ' ' ARG . . . . . 0.687 ' HA ' ' CZ ' ' C' ' 71' ' ' TYR . 26.0 ttp-105 -65.17 -29.5 70.33 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.323 -0.853 . . . . 10.0 109.99 179.723 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.29 -14.23 47.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 114.993 -1.003 . . . . 10.0 111.24 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 70' ' ' GLN . . . . . 0.55 ' HA ' ' NH2' ' C' ' 73' ' ' ARG . 25.4 tt0 -85.45 -65.08 1.05 Allowed 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.321 0.489 . . . . 10.0 112.321 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 71' ' ' TYR . . . . . 0.687 ' CZ ' ' HA ' ' C' ' 68' ' ' ARG . 3.5 p90 -63.75 -15.93 59.85 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 113.67 0.989 . . . . 10.0 113.67 -178.795 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 72' ' ' MET . . . . . 0.496 ' HA ' ' HZ ' ' C' ' 78' ' ' PHE . 25.3 mtt -65.99 -28.4 68.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.236 0.541 . . . . 10.0 110.002 178.451 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 73' ' ' ARG . . . . . 0.55 ' NH2' ' HA ' ' C' ' 70' ' ' GLN . 21.6 mtm180 -81.25 -35.28 31.37 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.905 -0.589 . . . . 10.0 109.969 179.448 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 1.5 m -74.07 -47.5 36.17 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.09 -0.504 . . . . 10.0 110.889 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.81 137.61 48.43 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.741 -0.663 . . . . 10.0 113.843 -179.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -99.2 -42.0 7.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.263 0.554 . . . . 10.0 109.876 179.386 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -116.16 137.27 13.55 Favored Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 111.013 -0.835 . . . . 10.0 111.013 179.631 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 78' ' ' PHE . . . . . 0.773 ' HB2' ' HG2' ' C' ' 111' ' ' MET . 79.0 m-85 -117.11 128.42 55.11 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.886 0.374 . . . . 10.0 111.583 -179.43 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 79' ' ' LEU . . . . . 0.447 HD13 HD22 ' C' ' 159' ' ' LEU . 12.3 tp -97.73 104.96 17.03 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.135 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 80' ' ' CYS . . . . . 0.43 ' HB3' HD12 ' C' ' 93' ' ' ILE . 70.2 m -81.56 85.5 6.51 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.262 0.553 . . . . 10.0 110.944 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 44.8 t -93.65 130.57 42.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.748 -0.66 . . . . 10.0 110.614 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 82' ' ' PHE . . . . . 0.673 ' HB3' HD11 ' C' ' 93' ' ' ILE . 40.4 p90 -138.68 169.08 18.43 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.391 -0.596 . . . . 10.0 109.391 178.497 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 83' ' ' ALA . . . . . 0.505 ' HB3' ' HB3' ' C' ' 86' ' ' ASN . . . -105.87 126.74 52.53 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.794 -0.447 . . . . 10.0 109.794 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 84' ' ' ILE . . . . . 0.592 HD13 ' HA ' ' C' ' 118' ' ' CYS . 20.6 pt -65.68 -14.95 17.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.895 0.379 . . . . 10.0 111.648 -179.296 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 28.1 p-10 -105.04 12.51 32.13 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.197 0.522 . . . . 10.0 110.369 179.17 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 86' ' ' ASN . . . . . 0.505 ' HB3' ' HB3' ' C' ' 83' ' ' ALA . 19.8 t-20 -134.02 95.52 3.45 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.055 179.387 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.96 -30.02 68.81 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.026 -0.534 . . . . 10.0 112.375 -179.087 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -62.51 -44.58 96.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.154 -0.476 . . . . 10.0 110.964 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 85.0 p -64.7 -27.93 69.25 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.675 0.25 . . . . 10.0 111.675 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -70.08 -37.55 75.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.971 0.415 . . . . 10.0 110.055 179.307 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -72.83 -30.36 63.97 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.563 -0.532 . . . . 10.0 109.563 178.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -64.56 -24.6 67.65 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.395 -0.82 . . . . 10.0 111.111 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 93' ' ' ILE . . . . . 0.673 HD11 ' HB3' ' C' ' 82' ' ' PHE . 47.2 mm -54.26 -45.01 67.44 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-O 120.994 0.426 . . . . 10.0 110.976 179.489 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -70.17 -40.84 74.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.959 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -58.22 -46.67 85.48 Favored 'General case' 0 C--O 1.236 0.35 0 O-C-N 123.509 0.506 . . . . 10.0 110.793 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -65.92 -47.93 73.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.978 -0.555 . . . . 10.0 111.312 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 28.5 ttt180 -56.43 -42.29 77.81 Favored 'General case' 0 N--CA 1.462 0.16 0 O-C-N 123.434 0.459 . . . . 10.0 110.883 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -59.91 -44.12 94.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.665 -0.698 . . . . 10.0 111.556 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -67.05 -44.19 80.8 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.918 -0.313 . . . . 10.0 110.436 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 68.8 mt -56.4 -47.08 82.03 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 CA-C-O 121.138 0.494 . . . . 10.0 110.759 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 38.5 mtmt -60.32 -37.58 81.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.545 -0.752 . . . . 10.0 111.843 -179.51 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 13.8 ttm180 -74.47 -45.72 44.35 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.229 -0.441 . . . . 10.0 110.839 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 103' ' ' VAL . . . . . 0.401 ' CG1' ' HG3' ' C' ' 73' ' ' ARG . 55.7 t -60.97 -50.57 80.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.9 -0.591 . . . . 10.0 112.398 -179.315 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -84.14 -10.69 57.57 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 121.128 -0.229 . . . . 10.0 111.504 -179.406 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 32.0 t70 54.69 56.3 6.91 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.513 0.673 . . . . 10.0 111.036 -179.292 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 38.8 t -153.68 139.3 17.86 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.2 -0.909 . . . . 10.0 110.009 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -81.19 -39.68 25.07 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.442 -0.577 . . . . 10.0 109.442 179.339 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -91.29 109.74 21.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.736 -0.666 . . . . 10.0 110.611 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 109' ' ' VAL . . . . . 0.422 ' HA ' ' HD3' ' C' ' 110' ' ' PRO . 62.1 t -129.67 131.18 23.39 Favored Pre-proline 0 C--N 1.323 -0.556 0 N-CA-C 109.777 -0.453 . . . . 10.0 109.777 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 110' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' C' ' 109' ' ' VAL . 22.7 Cg_exo -65.59 99.38 0.37 Allowed 'Trans proline' 0 C--O 1.236 0.397 0 C-N-CA 122.399 2.066 . . . . 10.0 111.407 179.176 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 111' ' ' MET . . . . . 0.773 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 36.5 mtm -133.41 154.69 50.55 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.574 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 89.7 t -131.9 132.87 61.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.87 -0.605 . . . . 10.0 109.73 179.254 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 14.6 tp -87.81 117.5 26.69 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.578 -0.527 . . . . 10.0 109.578 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 54.4 t -117.08 120.28 64.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 112.075 0.398 . . . . 10.0 112.075 -178.176 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -100.07 111.35 4.16 Favored Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 110.097 -1.201 . . . . 10.0 110.097 178.328 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -93.54 160.83 14.61 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 117.149 0.475 . . . . 10.0 112.029 -178.374 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 117' ' ' LYS . . . . . 0.749 ' HE2' ' C4 ' ' C' ' 201' ' ' GSP . 87.8 mttt 62.28 39.4 12.48 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.559 -0.746 . . . . 10.0 112.369 178.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 118' ' ' CYS . . . . . 0.592 ' HA ' HD13 ' C' ' 84' ' ' ILE . 97.0 m -70.26 -13.74 62.3 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.725 0.639 . . . . 10.0 112.725 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -88.76 -0.04 56.94 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.089 0.403 . . . . 10.0 112.089 -179.143 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 35.9 mt -84.96 134.87 40.51 Favored Pre-proline 0 C--N 1.331 -0.206 0 CA-C-N 116.5 -0.318 . . . . 10.0 110.54 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -70.11 150.29 65.89 Favored 'Trans proline' 0 C--O 1.233 0.273 0 C-N-CA 122.581 2.187 . . . . 10.0 112.392 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 15.1 m 62.18 75.81 0.39 Allowed 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.78 -0.645 . . . . 10.0 112.418 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 123' ' ' ARG . . . . . 0.423 ' CB ' HD12 ' C' ' 84' ' ' ILE . 14.2 ptp180 -89.6 153.29 20.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.839 -0.619 . . . . 10.0 110.321 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.32 -25.22 14.31 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.889 0.376 . . . . 10.0 111.323 179.763 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 61.4 t -105.55 114.61 45.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.395 -0.366 . . . . 10.0 111.033 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -75.87 147.4 39.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.045 -0.525 . . . . 10.0 109.819 179.191 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 127' ' ' THR . . . . . 0.539 HG23 ' HE2' ' C' ' 141' ' ' PHE . 1.9 m -60.27 -40.15 89.33 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.191 0.519 . . . . 10.0 110.287 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 128' ' ' LYS . . . . . 0.674 ' HB3' ' HA ' ' B' ' 47' ' ' ASP . 14.9 mtmt -60.17 -44.89 94.67 Favored 'General case' 0 C--O 1.219 -0.507 0 CA-C-N 115.469 -0.787 . . . . 10.0 110.927 179.531 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -68.69 -34.58 75.91 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.792 0.33 . . . . 10.0 111.072 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.99 -46.74 70.46 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.176 -0.465 . . . . 10.0 109.754 179.164 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -70.53 -29.3 65.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.713 179.077 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -61.77 -44.0 97.74 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.09 -0.708 . . . . 10.0 109.09 178.299 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 15.6 tp -70.61 -44.23 67.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.145 -0.934 . . . . 10.0 110.056 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.29 -38.29 86.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.404 -0.817 . . . . 10.0 111.091 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 135' ' ' ARG . . . . . 0.447 HH11 ' HD2' ' C' ' 135' ' ' ARG . 14.8 ttm105 -58.11 -46.5 85.45 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.14 -0.482 . . . . 10.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 1.6 m -70.96 -25.22 62.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 10.0 112.024 -179.131 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 14.2 m-30 -88.43 -17.12 31.11 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.013 0.375 . . . . 10.0 112.013 -179.155 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 84.63 12.39 75.23 Favored Glycine 0 C--N 1.33 0.203 0 C-N-CA 121.04 -0.6 . . . . 10.0 112.714 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 48.1 pt -106.51 153.22 40.69 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-O 120.712 0.292 . . . . 10.0 110.96 -179.314 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -90.69 139.0 2.64 Favored 'Trans proline' 0 N--CA 1.456 -0.682 0 C-N-CA 122.535 2.157 . . . . 10.0 111.805 179.203 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 141' ' ' PHE . . . . . 0.539 ' HE2' HG23 ' C' ' 127' ' ' THR . 46.8 t80 -109.17 130.94 55.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.337 -0.392 . . . . 10.0 110.326 179.378 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 48.5 mt -127.67 131.49 69.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.373 -0.376 . . . . 10.0 110.41 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -81.97 125.2 30.5 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 108.934 -0.765 . . . . 10.0 108.934 178.151 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 144' ' ' THR . . . . . 0.462 HG22 ' HA3' ' C' ' 151' ' ' GLY . 79.8 p -132.34 -179.91 5.72 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.051 0.453 . . . . 10.0 112.045 -178.518 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 9.7 t -166.73 117.11 0.92 Allowed 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.111 -0.95 . . . . 10.0 109.313 178.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 146' ' ' ALA . . . . . 0.417 ' N ' ' O6 ' ' C' ' 201' ' ' GSP . . . -70.65 -22.79 62.46 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.33 -0.618 . . . . 10.0 109.33 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 147' ' ' LYS . . . . . 0.442 ' HB2' ' N1 ' ' C' ' 201' ' ' GSP . 80.4 tttt -69.34 -35.72 76.2 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.159 -0.928 . . . . 10.0 111.37 179.658 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 148' ' ' THR . . . . . 0.416 ' O ' ' HB3' ' C' ' 149' ' ' ARG . 1.1 p -107.16 -7.06 16.96 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 113.109 0.781 . . . . 10.0 113.109 -179.244 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 149' ' ' ARG . . . . . 0.416 ' HB3' ' O ' ' C' ' 148' ' ' THR . 12.6 tpt180 72.35 -4.33 2.06 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 121.593 0.711 . . . . 10.0 111.553 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -70.62 129.84 40.24 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.043 -0.526 . . . . 10.0 111.621 -179.114 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 151' ' ' GLY . . . . . 0.462 ' HA3' HG22 ' C' ' 144' ' ' THR . . . 83.67 -18.44 19.99 Favored Glycine 0 CA--C 1.517 0.209 0 CA-C-N 115.655 -0.702 . . . . 10.0 114.621 178.235 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 59.8 t -53.19 -52.39 31.01 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 CA-C-N 117.062 0.431 . . . . 10.0 111.633 -179.05 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -59.09 -47.41 85.36 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.864 -0.607 . . . . 10.0 111.68 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -59.81 -45.6 91.86 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.835 -0.62 . . . . 10.0 111.913 -178.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -57.86 -49.89 75.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.453 -0.339 . . . . 10.0 111.697 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -63.9 -45.01 91.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.416 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -63.86 -41.65 97.72 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.884 -0.598 . . . . 10.0 111.698 -179.132 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 158' ' ' THR . . . . . 0.493 ' O ' ' HG2' ' C' ' 162' ' ' GLU . 89.8 m -61.2 -40.74 95.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.261 -0.427 . . . . 10.0 111.316 179.74 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 159' ' ' LEU . . . . . 0.447 HD22 HD13 ' C' ' 79' ' ' LEU . 31.7 tp -59.82 -43.83 94.33 Favored 'General case' 0 CA--C 1.521 -0.137 0 CA-C-O 120.905 0.383 . . . . 10.0 111.061 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 72.1 t -63.31 -43.55 98.68 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.362 179.203 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 161' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' C' ' 161' ' ' ARG . 22.7 ttp180 -64.72 -33.77 76.73 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.486 -0.779 . . . . 10.0 110.923 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 162' ' ' GLU . . . . . 0.493 ' HG2' ' O ' ' C' ' 158' ' ' THR . 56.9 mm-40 -63.79 -41.43 97.92 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.947 0.403 . . . . 10.0 110.19 178.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 163' ' ' ILE . . . . . 0.427 HG13 ' O ' ' C' ' 159' ' ' LEU . 61.4 mt -64.07 -45.69 95.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.93 -0.577 . . . . 10.0 109.503 179.245 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 37.3 ttm180 -63.49 -37.44 87.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.915 -0.584 . . . . 10.0 109.706 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -61.63 -51.24 69.3 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.6 -0.727 . . . . 10.0 109.863 179.066 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 166' ' ' HIS . . . . . 0.489 ' O ' ' HB2' ' C' ' 170' ' ' MET . 38.2 t-80 -60.38 -49.0 79.34 Favored 'General case' 0 C--O 1.223 -0.32 0 CA-C-N 116.158 -0.473 . . . . 10.0 111.298 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.59 -39.25 90.53 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.388 0.514 . . . . 10.0 112.388 -179.256 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -72.31 -51.15 22.01 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.98 0.419 . . . . 10.0 110.522 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 169' ' ' LYS . . . . . 0.442 ' HB3' ' HE2' ' C' ' 169' ' ' LYS . 41.8 mtpt -66.05 -22.78 66.45 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.051 -0.522 . . . . 10.0 111.784 -179.364 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 170' ' ' MET . . . . . 0.489 ' HB2' ' O ' ' C' ' 166' ' ' HIS . 0.0 OUTLIER -65.48 -31.38 72.43 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.721 -0.474 . . . . 10.0 109.721 178.84 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 6.0 m -73.23 -9.9 59.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.578 -0.737 . . . . 10.0 110.887 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 49.0 mtpt -105.65 -10.15 16.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.572 -0.74 . . . . 10.0 109.976 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 173' ' ' ASP . . . . . . . . . . . . . 28.2 t70 70.77 -58.28 0.57 Allowed 'General case' 0 N--CA 1.467 0.425 0 O-C-N 124.096 0.872 . . . . 10.0 112.501 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . 149.85 -28.36 1.15 Allowed Glycine 0 N--CA 1.446 -0.671 0 N-CA-C 110.178 -1.169 . . . . 10.0 110.178 -179.102 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 175' ' ' LYS . . . . . 0.45 ' HZ1' ' C3 ' ' C' ' 214' ' ' 17F . 0.6 OUTLIER -156.48 -71.31 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 108.521 -0.918 . . . . 10.0 108.521 179.402 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 176' ' ' LYS . . . . . 0.452 ' HB3' ' H ' ' C' ' 177' ' ' LYS . 34.6 tttp 44.66 -110.36 0.2 Allowed 'General case' 0 C--O 1.237 0.414 0 CA-C-N 115.572 -0.74 . . . . 10.0 112.994 179.212 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 177' ' ' LYS . . . . . 0.597 ' HG3' ' C4 ' ' C' ' 205' ' ' PCW . 29.3 ttmt -131.31 28.15 4.72 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.976 -0.556 . . . . 10.0 109.959 -179.324 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 178' ' ' LYS . . . . . . . . . . . . . 22.8 mmtp 66.13 177.28 0.22 Allowed 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 115.528 -0.76 . . . . 10.0 111.924 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 179' ' ' LYS . . . . . 0.454 ' HD3' ' HA ' ' C' ' 179' ' ' LYS . 13.1 mmtt -89.85 -59.44 2.2 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.029 0.381 . . . . 10.0 112.029 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 180' ' ' LYS . . . . . . . . . . . . . 46.4 pttt -127.13 139.72 52.77 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.66 -0.416 . . . . 10.0 111.719 179.523 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 11.3 m -136.7 -19.55 1.36 Allowed 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.055 -0.52 . . . . 10.0 112.277 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 182' ' ' LYS . . . . . . . . . . . . . 63.6 mmtt -78.64 120.22 23.0 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 120.628 0.251 . . . . 10.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -109.23 -42.2 4.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.104 0.478 . . . . 10.0 110.033 179.693 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 184' ' ' LYS . . . . . 0.405 ' HE3' ' O4 ' ' C' ' 213' ' ' 17F . 0.1 OUTLIER . . . . . 0 C--N 1.327 -0.403 0 CA-C-N 115.647 -0.706 . . . . 10.0 110.911 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 401' ' ' PCW . . . . . 0.996 H252 H281 ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 402' ' ' PCW . . . . . 1.04 ' O31' H352 ' A' ' 402' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 403' ' ' PCW . . . . . 1.112 H472 H281 ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 404' ' ' PCW . . . . . 1.112 H281 H472 ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 405' ' ' PCW . . . . . 1.029 H242 H262 ' A' ' 418' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 406' ' ' PCW . . . . . 1.173 H351 ' C8 ' ' B' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 407' ' ' PCW . . . . . 1.084 H212 ' C17' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 408' ' ' PCW . . . . . 1.066 H152 H232 ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 409' ' ' PCW . . . . . 1.234 ' C19' H142 ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 410' ' ' PCW . . . . . 1.048 H371 ' H63' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 411' ' ' PCW . . . . . 1.066 H232 H152 ' A' ' 408' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 412' ' ' PCW . . . . . 0.891 H271 HG21 ' A' ' 250' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 413' ' ' PCW . . . . . 1.015 H162 ' C35' ' A' ' 408' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 414' ' ' PCW . . . . . 1.054 H372 ' H69' ' A' ' 415' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 415' ' ' 17F . . . . . 1.122 ' H49' H231 ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 416' ' ' 17F . . . . . 0.963 ' H56' H151 ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 417' ' ' PCW . . . . . 0.922 H141 H341 ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 418' ' ' PCW . . . . . 1.08 H422 ' C23' ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 419' ' ' PCW . . . . . 0.903 H271 H272 ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 420' ' ' PCW . . . . . 1.078 H372 H431 ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 421' ' ' PCW . . . . . 0.999 H162 ' H57' ' D' ' 630' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 422' ' ' 17F . . . . . 1.069 ' H39' ' H67' ' C' ' 219' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 601' ' ' PCW . . . . . 0.957 H421 ' C46' ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 602' ' ' PCW . . . . . 1.027 H142 H381 ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 603' ' ' PCW . . . . . 1.016 ' H41' ' H2 ' ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 604' ' ' PCW . . . . . 1.036 ' C8 ' ' H4A' ' C' ' 219' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 605' ' ' PCW . . . . . 1.033 H421 H141 ' D' ' 620' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 606' ' ' PCW . . . . . 1.079 H252 ' H38' ' C' ' 218' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 607' ' ' PCW . . . . . 0.784 ' C3 ' H372 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 608' ' ' PCW . . . . . 0.997 H461 ' H61' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 609' ' ' PCW . . . . . 1.075 ' H2 ' ' H61' ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 610' ' ' PCW . . . . . 1.013 ' H63' ' O1 ' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 611' ' ' PCW . . . . . 1.029 H211 H432 ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 612' ' ' PCW . . . . . 1.099 ' H2 ' ' H63' ' D' ' 620' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 613' ' ' PCW . . . . . 1.08 ' C23' H422 ' A' ' 418' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 614' ' ' PCW . . . . . 0.95 H482 H211 ' D' ' 620' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 615' ' ' PCW . . . . . 0.999 H461 H421 ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 616' ' ' PCW . . . . . 1.075 ' H61' ' H2 ' ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 617' ' ' PCW . . . . . 1.072 ' C34' H341 ' C' ' 216' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 618' ' ' PCW . . . . . 1.078 H431 H372 ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 619' ' ' PCW . . . . . 1.038 H351 H342 ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 620' ' ' PCW . . . . . 1.099 ' H63' ' H2 ' ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 621' ' ' PCW . . . . . 0.991 H121 ' H4A' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 622' ' ' PCW . . . . . 1.023 H421 ' H62' ' A' ' 422' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 623' ' ' PCW . . . . . 1.061 H421 H261 ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 624' ' ' PCW . . . . . 1.045 H282 H272 ' C' ' 217' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 625' ' ' PCW . . . . . 1.061 H261 H421 ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 626' ' ' PCW . . . . . 0.979 H231 ' C27' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 627' ' ' PCW . . . . . 1.123 ' H20' ' C35' ' C' ' 217' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 628' ' ' 17F . . . . . 1.026 ' H57' H19A ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 629' ' ' 17F . . . . . 0.962 ' H74' ' H36' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 630' ' ' 17F . . . . . 0.999 ' H57' H162 ' A' ' 421' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 631' ' ' 17F . . . . . 1.029 ' H55' H451 ' D' ' 619' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 632' ' ' 17F . . . . . 1.044 ' H53' H161 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 201' ' ' GSP . . . . . 0.686 ' C6 ' ' HG2' ' B' ' 117' ' ' LYS . . . . . . . . 0 O4'--C1' 1.437 1.951 1 O4'-C1'-N19 112.445 4.245 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 202' ' ' ' MG' . . . . . 0.639 'MG ' ' O3G' ' B' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 203' ' ' PCW . . . . . 1.045 H451 H232 ' C' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 204' ' ' PCW . . . . . 1.002 H451 ' H20' ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 205' ' ' PCW . . . . . 1.061 H251 H211 ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 206' ' ' PCW . . . . . 1.082 H241 H171 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 207' ' ' PCW . . . . . 1.04 H442 ' H55' ' B' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 208' ' ' PCW . . . . . 1.122 H231 ' H49' ' A' ' 415' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 209' ' ' 17F . . . . . 1.116 ' H57' H19A ' B' ' 209' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 210' ' ' 17F . . . . . 1.04 ' H55' H442 ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 211' ' ' 17F . . . . . 1.173 ' C8 ' H351 ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 201' ' ' GSP . . . . . 0.872 ' S1G' ' HA ' ' C' ' 12' ' ' ASP . . . . . . . . 0 O4'--C1' 1.437 1.882 2 O4'-C1'-N19 113.602 5.402 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 203' ' ' PCW . . . . . 1.054 H132 H171 ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 204' ' ' PCW . . . . . 1.114 H232 ' H20' ' C' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 205' ' ' PCW . . . . . 1.117 H421 H252 ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 206' ' ' PCW . . . . . 1.071 H251 H211 ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 207' ' ' PCW . . . . . 1.025 H372 H421 ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 208' ' ' PCW . . . . . 1.047 H362 H171 ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 209' ' ' PCW . . . . . 1.045 ' O4P' ' H32' ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 210' ' ' PCW . . . . . 1.114 ' H20' H232 ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 211' ' ' PCW . . . . . 1.084 ' P ' ' H62' ' C' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 212' ' ' PCW . . . . . 1.117 H252 H421 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 213' ' ' 17F . . . . . 1.106 ' H9 ' H352 ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 214' ' ' 17F . . . . . 0.948 ' H55' H232 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 215' ' ' 17F . . . . . 0.895 ' H55' H482 ' B' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 216' ' ' PCW . . . . . 1.075 H442 H341 ' C' ' 217' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 217' ' ' PCW . . . . . 1.123 ' C35' ' H20' ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 218' ' ' 17F . . . . . 1.079 ' H38' H252 ' D' ' 606' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 219' ' ' 17F . . . . . 1.069 ' H67' ' H39' ' A' ' 422' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 30.8 mt . . . . . 0 CA--C 1.517 -0.298 0 CA-C-O 120.765 0.316 . . . . 10.0 110.644 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -58.53 -47.66 83.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.858 -0.61 . . . . 10.0 112.158 -179.558 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 89.0 mt -58.18 -46.97 84.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.573 -0.285 . . . . 10.0 111.568 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 75.5 mt -64.97 -43.06 93.9 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.985 0.421 . . . . 10.0 111.282 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -68.34 -43.48 77.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 10.0 111.071 -179.597 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -68.36 -36.16 78.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.846 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 62.2 t90 -63.95 -35.83 81.97 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.153 0.501 . . . . 10.0 110.033 178.625 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -59.38 -37.06 76.99 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.84 -0.618 . . . . 10.0 110.615 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 8.4 m -64.8 -37.66 88.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.011 -0.541 . . . . 10.0 110.165 178.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 9.8 t -71.81 -34.16 50.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 108.811 -0.811 . . . . 10.0 108.811 178.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 23.5 m -64.89 -47.25 78.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.54 -0.755 . . . . 10.0 111.093 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.21 -41.5 99.16 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.701 -0.481 . . . . 10.0 109.701 179.239 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 213' ' ' THR . . . . . 0.511 ' O ' ' HG ' ' A' ' 217' ' ' LEU . 40.7 m -61.67 -47.88 83.34 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.935 -0.575 . . . . 10.0 109.748 178.674 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -56.1 -43.52 78.15 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 121.103 0.478 . . . . 10.0 110.334 179.142 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 17.3 m -60.11 -49.53 77.28 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.537 -0.756 . . . . 10.0 110.765 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 31.3 mttt -68.8 -34.05 74.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.748 0.308 . . . . 10.0 111.172 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 217' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 213' ' ' THR . 50.0 mt -61.93 -42.85 99.57 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.637 -0.505 . . . . 10.0 109.637 178.597 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 218' ' ' ARG . . . . . 0.433 ' HA ' ' HB2' ' A' ' 221' ' ' LEU . 64.0 mtt180 -69.39 -32.83 72.1 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.231 179.039 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -64.41 -39.85 94.63 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.668 -0.494 . . . . 10.0 109.668 178.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 220' ' ' GLN . . . . . 0.4 ' O ' HG23 ' A' ' 224' ' ' VAL . 8.0 tp-100 -77.38 -30.22 53.59 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.679 -0.691 . . . . 10.0 110.216 178.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 221' ' ' LEU . . . . . 0.433 ' HB2' ' HA ' ' A' ' 218' ' ' ARG . 4.4 mt -58.16 -31.36 67.16 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.842 -0.617 . . . . 10.0 111.228 179.488 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -57.49 -68.37 1.73 Allowed Glycine 0 CA--C 1.52 0.345 0 N-CA-C 110.523 -1.031 . . . . 10.0 110.523 178.332 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 223' ' ' PRO . . . . . 0.424 ' O ' ' HG3' ' A' ' 227' ' ' GLU . 71.3 Cg_exo -53.97 -36.9 85.46 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.758 2.306 . . . . 10.0 111.046 177.76 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 224' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 220' ' ' GLN . 26.8 t -58.15 -51.66 68.27 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.093 0 CA-C-N 116.486 -0.324 . . . . 10.0 110.602 179.455 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 2.8 p -68.73 -29.94 68.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.013 0.435 . . . . 10.0 110.81 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -66.21 -51.54 56.7 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.272 -0.422 . . . . 10.0 110.777 178.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 227' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' A' ' 223' ' ' PRO . 48.4 mt-10 -67.7 -40.05 84.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.164 179.463 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -61.12 -44.94 96.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.304 179.317 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -65.63 -38.13 88.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.552 179.516 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -63.74 -45.06 91.56 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.774 -0.648 . . . . 10.0 110.038 179.127 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 231' ' ' ASN . . . . . 0.745 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 72.5 m-20 -69.91 -35.93 74.97 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.437 179.075 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 15.8 mt -64.9 -38.99 92.82 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.956 -0.757 . . . . 10.0 108.956 177.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 233' ' ' GLU . . . . . 0.442 ' HA ' ' OG1' ' A' ' 236' ' ' THR . 3.0 mm-40 -63.43 -32.71 74.23 Favored 'General case' 0 C--O 1.225 -0.197 0 CA-C-N 115.753 -0.658 . . . . 10.0 110.39 178.747 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 234' ' ' LYS . . . . . 0.745 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 47.2 mttt -68.16 -41.41 81.57 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 108.575 -0.898 . . . . 10.0 108.575 178.271 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.75 -48.12 70.13 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.489 -0.778 . . . . 10.0 110.47 179.189 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 236' ' ' THR . . . . . 0.442 ' OG1' ' HA ' ' A' ' 233' ' ' GLU . 15.9 p -64.12 -40.92 97.22 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.362 179.68 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -59.67 -46.05 90.22 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.452 -0.574 . . . . 10.0 109.452 178.229 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -60.21 -48.04 88.07 Favored Glycine 0 N--CA 1.443 -0.872 0 N-CA-C 109.712 -1.355 . . . . 10.0 109.712 178.361 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 88.6 mt -60.82 -31.2 70.61 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.543 0.211 . . . . 10.0 111.164 179.072 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 49.6 mtt180 -67.64 -42.39 82.36 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.564 -0.532 . . . . 10.0 109.564 178.615 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -71.39 -39.69 71.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.619 0.723 . . . . 10.0 109.149 178.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -66.72 -32.87 74.45 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.163 -0.926 . . . . 10.0 110.357 179.429 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 48.4 ttm -59.82 -32.71 70.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.947 0.404 . . . . 10.0 110.419 179.436 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 1.5 m -71.95 3.93 3.88 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 115.567 -0.742 . . . . 10.0 110.924 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -131.79 -54.42 1.0 Allowed 'General case' 0 C--O 1.222 -0.357 0 N-CA-C 109.273 -0.64 . . . . 10.0 109.273 178.466 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 246' ' ' ASP . . . . . 0.706 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 0.7 OUTLIER -55.67 -47.61 76.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 10.0 111.51 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 247' ' ' LEU . . . . . 0.454 ' O ' HG12 ' A' ' 250' ' ' VAL . 16.8 mt -89.13 -43.12 11.27 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.504 179.746 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -60.7 -49.81 76.02 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.705 0.631 . . . . 10.0 112.705 -179.354 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -70.43 -28.61 65.17 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 120.917 0.389 . . . . 10.0 110.947 -179.529 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 250' ' ' VAL . . . . . 0.7 HG21 H271 ' A' ' 412' ' ' PCW . 0.3 OUTLIER -75.44 -30.53 22.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 O-C-N 122.012 -0.43 . . . . 10.0 110.331 178.938 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 251' ' ' LYS . . . . . 0.586 ' O ' HG12 ' A' ' 254' ' ' VAL . 39.6 tttt -80.58 -40.31 26.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.73 -0.668 . . . . 10.0 109.828 179.341 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -68.87 -34.46 75.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.504 -0.316 . . . . 10.0 110.322 179.287 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -89.65 -15.77 31.93 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.284 -0.416 . . . . 10.0 112.026 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 254' ' ' VAL . . . . . 0.633 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 2.3 p -65.12 -27.72 42.93 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 C-N-CA 120.611 -0.436 . . . . 10.0 110.209 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 255' ' ' GLN . . . . . 0.49 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 45.8 mt-30 -63.93 -61.25 7.19 Favored Pre-proline 0 CA--C 1.536 0.415 0 CA-C-N 115.862 -0.608 . . . . 10.0 111.2 179.457 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 256' ' ' PRO . . . . . 0.49 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 29.5 Cg_endo -65.67 -29.42 51.69 Favored 'Trans proline' 0 C--N 1.354 0.865 0 C-N-CA 121.865 1.71 . . . . 10.0 112.062 178.333 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 6.7 m-30 -68.9 -50.69 47.45 Favored 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 109.849 -0.426 . . . . 10.0 109.849 179.417 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 258' ' ' LEU . . . . . 0.55 ' HB2' ' O ' ' A' ' 254' ' ' VAL . 0.6 OUTLIER -62.51 -42.01 99.22 Favored 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 109.268 -0.642 . . . . 10.0 109.268 179.363 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 259' ' ' ASP . . . . . 0.439 ' O ' ' HB2' ' A' ' 263' ' ' LYS . 31.7 t70 -58.67 -37.53 76.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.435 179.427 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -66.22 -54.06 29.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.32 179.283 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -62.05 -45.74 92.2 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 115.604 -0.725 . . . . 10.0 111.04 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -63.59 -41.49 98.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.092 -0.504 . . . . 10.0 111.513 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 263' ' ' LYS . . . . . 0.496 ' HB2' ' HE3' ' A' ' 263' ' ' LYS . 20.7 ttmt -59.31 -50.07 75.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.09 0.471 . . . . 10.0 110.039 179.62 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 264' ' ' LYS . . . . . 0.428 ' NZ ' ' HB2' ' D' ' 513' ' ' ALA . 76.7 mttt -66.75 -35.4 80.02 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.612 -0.722 . . . . 10.0 109.876 178.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 5.1 m95 -64.23 -36.03 82.75 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 109.646 -0.501 . . . . 10.0 109.646 178.245 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 266' ' ' GLN . . . . . 0.445 ' O ' ' HG3' ' A' ' 270' ' ' GLU . 54.5 mt-30 -62.48 -49.03 77.0 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 108.801 -0.814 . . . . 10.0 108.801 178.089 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -60.37 -45.17 94.47 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 109.089 -0.708 . . . . 10.0 109.089 178.346 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -57.73 -48.55 79.28 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.966 -0.561 . . . . 10.0 111.213 179.496 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 94.5 mmm -64.78 -47.81 76.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.685 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 270' ' ' GLU . . . . . 0.445 ' HG3' ' O ' ' A' ' 266' ' ' GLN . 33.7 mt-10 -62.84 -42.84 99.9 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.67 -0.241 . . . . 10.0 111.257 -179.722 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 44.6 mt -62.72 -41.89 99.39 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 109.409 -0.589 . . . . 10.0 109.409 178.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 272' ' ' TYR . . . . . 0.48 ' O ' HG23 ' A' ' 276' ' ' VAL . 0.2 OUTLIER -63.59 -44.76 93.09 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 115.612 -0.722 . . . . 10.0 109.468 178.695 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 273' ' ' ARG . . . . . 0.46 ' O ' ' HG3' ' A' ' 277' ' ' GLU . 94.7 mtt180 -61.47 -44.58 96.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.38 179.19 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -67.3 -18.63 65.26 Favored 'General case' 0 CA--C 1.523 -0.088 0 CA-C-N 115.837 -0.62 . . . . 10.0 111.255 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 275' ' ' LYS . . . . . 0.695 ' HG2' HD21 ' D' ' 499' ' ' LEU . 10.6 mptt -93.85 -38.91 10.99 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.494 -0.321 . . . . 10.0 110.554 178.666 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 276' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 272' ' ' TYR . 25.5 t -53.68 -40.04 41.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.314 -0.403 . . . . 10.0 110.828 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 277' ' ' GLU . . . . . 0.53 ' HB2' ' HD3' ' A' ' 278' ' ' PRO . 17.8 mt-10 -57.98 -64.97 2.14 Favored Pre-proline 0 CA--C 1.542 0.653 0 N-CA-C 112.127 0.417 . . . . 10.0 112.127 -179.764 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 278' ' ' PRO . . . . . 0.53 ' HD3' ' HB2' ' A' ' 277' ' ' GLU . 20.7 Cg_endo -62.34 -36.99 64.17 Favored 'Trans proline' 0 C--N 1.358 1.031 0 C-N-CA 122.048 1.832 . . . . 10.0 112.404 179.495 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 279' ' ' LEU . . . . . 0.715 HD22 ' HE3' ' D' ' 495' ' ' LYS . 29.3 mt -65.0 -36.79 85.55 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.697 0.284 . . . . 10.0 110.561 179.773 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 28.5 ttm180 -64.73 -39.26 93.34 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 109.356 -0.609 . . . . 10.0 109.356 178.55 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -59.75 -48.16 82.78 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.908 -0.587 . . . . 10.0 109.508 178.618 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 282' ' ' GLU . . . . . 0.43 ' HG3' ' O ' ' A' ' 278' ' ' PRO . 71.3 mt-10 -61.52 -46.68 88.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.272 179.247 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 30.0 mt -63.5 -40.4 96.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.953 -0.567 . . . . 10.0 111.154 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -67.99 -51.29 48.86 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.079 -0.509 . . . . 10.0 110.874 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -61.06 -40.5 93.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.925 0.393 . . . . 10.0 110.382 179.348 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -66.32 -46.54 77.91 Favored Glycine 0 N--CA 1.441 -0.967 0 N-CA-C 110.728 -0.949 . . . . 10.0 110.728 178.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -61.91 -38.95 90.28 Favored 'General case' 0 C--O 1.222 -0.375 0 N-CA-C 110.501 -0.185 . . . . 10.0 110.501 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 88.5 mtt180 -54.4 -51.42 64.93 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 116.315 -0.402 . . . . 10.0 110.547 179.14 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -70.73 -46.73 62.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.988 -0.551 . . . . 10.0 111.421 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -58.57 -48.01 82.33 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.751 0.31 . . . . 10.0 111.531 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 291' ' ' LEU . . . . . 0.465 ' O ' ' HG3' ' A' ' 295' ' ' GLN . 94.3 mt -66.0 -38.58 88.84 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.492 -0.322 . . . . 10.0 110.841 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -68.54 -36.85 79.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.83 0.348 . . . . 10.0 110.575 179.179 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -65.76 -37.12 85.46 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.967 -0.753 . . . . 10.0 108.967 178.354 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 72.3 mt -67.46 -37.55 83.1 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.802 -0.635 . . . . 10.0 109.639 178.168 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 295' ' ' GLN . . . . . 0.465 ' HG3' ' O ' ' A' ' 291' ' ' LEU . 59.6 mt-30 -68.18 -30.14 69.17 Favored 'General case' 0 CA--C 1.521 -0.16 0 N-CA-C 109.483 -0.562 . . . . 10.0 109.483 178.749 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -65.71 -15.45 62.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.688 -0.687 . . . . 10.0 110.954 178.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 297' ' ' LYS . . . . . 0.52 ' HB3' HD12 ' A' ' 301' ' ' LEU . 17.9 mmtp -111.91 -27.54 8.41 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.147 179.284 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 298' ' ' LEU . . . . . 0.423 ' O ' ' HA3' ' A' ' 302' ' ' GLY . 12.4 mt -69.69 -34.25 73.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.212 -0.449 . . . . 10.0 112.116 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 299' ' ' SER . . . . . 0.5 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 8.8 m -76.33 -66.34 0.37 Allowed Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 113.162 0.801 . . . . 10.0 113.162 -179.277 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 300' ' ' PRO . . . . . 0.5 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 33.2 Cg_endo -63.48 -57.07 0.41 Allowed 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 121.736 1.624 . . . . 10.0 112.803 -179.198 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 301' ' ' LEU . . . . . 0.554 HD13 ' HG2' ' D' ' 473' ' ' LYS . 68.4 mt -64.42 -26.36 68.42 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-O 120.548 0.213 . . . . 10.0 110.506 -179.723 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 302' ' ' GLY . . . . . 0.423 ' HA3' ' O ' ' A' ' 298' ' ' LEU . . . -70.6 -50.72 24.1 Favored Glycine 0 N--CA 1.449 -0.461 0 N-CA-C 110.851 -0.899 . . . . 10.0 110.851 178.767 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -62.05 -41.35 98.05 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 121.302 0.572 . . . . 10.0 109.803 178.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.95 -38.96 92.98 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.216 -0.902 . . . . 10.0 109.634 178.83 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 11.0 tpt -62.94 -39.95 96.17 Favored 'General case' 0 CA--C 1.518 -0.273 0 N-CA-C 109.329 -0.619 . . . . 10.0 109.329 178.532 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 306' ' ' ARG . . . . . 0.477 ' O ' ' HG3' ' A' ' 310' ' ' ARG . 62.7 mtt180 -67.46 -38.21 84.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.658 -0.701 . . . . 10.0 110.092 178.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 307' ' ' ASP . . . . . 0.894 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 22.7 t70 -67.58 -39.66 84.87 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 109.46 -0.571 . . . . 10.0 109.46 178.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -67.51 -34.47 77.18 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 108.612 -0.885 . . . . 10.0 108.612 177.529 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -66.09 -37.98 87.1 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 108.955 -0.757 . . . . 10.0 108.955 178.245 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 310' ' ' ARG . . . . . 0.894 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 92.7 mtt180 -59.53 -45.96 90.26 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 108.209 -1.034 . . . . 10.0 108.209 177.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -64.88 -42.03 95.15 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.626 -0.715 . . . . 10.0 110.017 178.665 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -56.24 -51.9 66.41 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.139 179.076 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 59.2 t -70.12 -39.48 77.14 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-N 115.576 -0.738 . . . . 10.0 111.878 -179.172 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -62.18 -42.41 99.25 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 109.8 -0.444 . . . . 10.0 109.8 179.19 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -64.93 -33.82 76.93 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.895 -0.593 . . . . 10.0 109.632 178.516 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 33.3 mt -70.21 -42.55 72.19 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.432 178.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 33.3 ttm105 -63.16 -41.35 99.23 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.967 -0.561 . . . . 10.0 111.412 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -66.23 -21.05 66.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.045 0.45 . . . . 10.0 111.224 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 49.9 m80 -98.45 -41.51 7.76 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.22 -0.445 . . . . 10.0 110.812 179.335 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 320' ' ' LEU . . . . . 0.514 ' HA ' ' HB2' ' A' ' 323' ' ' TYR . 77.0 mt -66.92 -26.54 66.91 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.284 0.475 . . . . 10.0 112.284 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -60.62 -60.75 9.64 Favored Pre-proline 0 CA--C 1.532 0.269 0 C-N-CA 120.945 -0.302 . . . . 10.0 110.877 178.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -66.71 -28.51 43.98 Favored 'Trans proline' 0 C--N 1.356 0.942 0 C-N-CA 121.512 1.475 . . . . 10.0 110.737 178.227 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 323' ' ' TYR . . . . . 0.514 ' HB2' ' HA ' ' A' ' 320' ' ' LEU . 3.7 m-30 -63.08 -51.46 66.57 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 116.253 -0.431 . . . . 10.0 109.849 178.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 324' ' ' SER . . . . . 0.49 ' HA ' ' HB2' ' A' ' 327' ' ' LEU . 17.5 p -67.53 -33.58 75.35 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 110.01 -0.367 . . . . 10.0 110.01 179.775 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 325' ' ' ASP . . . . . 0.534 ' HA ' ' HD2' ' A' ' 328' ' ' ARG . 26.5 t0 -61.26 -47.12 87.47 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 115.841 -0.618 . . . . 10.0 109.393 178.6 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -74.55 -24.15 58.89 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.702 -0.681 . . . . 10.0 110.666 178.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 327' ' ' LEU . . . . . 0.49 ' HB2' ' HA ' ' A' ' 324' ' ' SER . 19.4 mt -67.98 -30.37 69.63 Favored 'General case' 0 CA--C 1.52 -0.178 0 N-CA-C 108.887 -0.783 . . . . 10.0 108.887 177.671 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 328' ' ' ARG . . . . . 0.534 ' HD2' ' HA ' ' A' ' 325' ' ' ASP . 78.9 mtt180 -63.22 -45.74 90.21 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 107.992 -1.114 . . . . 10.0 107.992 177.647 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -63.73 -44.13 94.45 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 114.998 -1.001 . . . . 10.0 109.288 178.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 27.4 mtt-85 -57.31 -49.01 77.45 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.652 -0.704 . . . . 10.0 110.102 178.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 6.1 mt -60.17 -47.92 83.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.74 179.338 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -59.66 -46.68 88.32 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.239 -0.437 . . . . 10.0 111.155 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -62.7 -45.78 91.2 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.942 0.401 . . . . 10.0 110.845 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 334' ' ' ARG . . . . . 0.401 ' HD3' HH11 ' A' ' 334' ' ' ARG . 35.3 mtt-85 -63.94 -41.88 97.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.4 179.236 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 335' ' ' LEU . . . . . 0.606 ' O ' ' HB2' ' A' ' 339' ' ' LYS . 24.8 mt -62.63 -43.84 97.8 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.278 179.111 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -63.49 -45.91 88.57 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 120.645 0.26 . . . . 10.0 110.572 179.114 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 337' ' ' ALA . . . . . 0.509 ' O ' ' HB2' ' A' ' 341' ' ' ASN . . . -56.21 -47.18 78.9 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.846 -0.615 . . . . 10.0 110.349 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 67.0 mt -80.96 -12.91 59.3 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.306 -0.407 . . . . 10.0 111.823 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 339' ' ' LYS . . . . . 0.606 ' HB2' ' O ' ' A' ' 335' ' ' LEU . 70.7 tttt -80.64 -54.87 5.26 Favored 'General case' 0 CA--C 1.512 -0.504 0 N-CA-C 109.417 -0.586 . . . . 10.0 109.417 179.632 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -66.02 -41.52 90.84 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.36 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 341' ' ' ASN . . . . . 0.509 ' HB2' ' O ' ' A' ' 337' ' ' ALA . 4.7 t-20 -67.15 -44.18 80.43 Favored 'General case' 0 C--O 1.225 -0.197 0 N-CA-C 108.846 -0.798 . . . . 10.0 108.846 178.523 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -60.44 -41.51 98.61 Favored Glycine 0 N--CA 1.447 -0.586 0 CA-C-N 115.798 -0.637 . . . . 10.0 111.892 179.245 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -61.25 -41.68 99.56 Favored Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 110.902 -0.879 . . . . 10.0 110.902 178.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -68.86 -40.21 79.46 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 109.728 -0.471 . . . . 10.0 109.728 179.087 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 33.0 mtm180 -64.58 -44.11 91.72 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.579 179.215 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 24.0 mt -59.79 -47.46 85.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.87 0.367 . . . . 10.0 110.199 179.253 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.97 -40.46 93.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.121 0.486 . . . . 10.0 110.183 179.157 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -67.32 -44.73 78.4 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.017 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -61.44 -41.42 97.16 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.394 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 31.1 m-70 -62.03 -44.95 95.6 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.566 -0.531 . . . . 10.0 109.566 178.55 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 351' ' ' ALA . . . . . 0.432 ' O ' ' HG2' ' A' ' 355' ' ' GLU . . . -63.13 -47.11 84.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.814 -0.63 . . . . 10.0 109.792 179.066 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 12.2 mttm -59.99 -46.21 90.21 Favored 'General case' 0 CA--C 1.521 -0.135 0 CA-C-N 116.134 -0.485 . . . . 10.0 109.836 178.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 353' ' ' ALA . . . . . 0.472 ' O ' ' HG ' ' A' ' 357' ' ' LEU . . . -59.19 -37.22 76.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.057 -0.519 . . . . 10.0 110.095 179.216 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 55.4 m -61.85 -47.17 86.25 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.09 -0.708 . . . . 10.0 109.09 178.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 355' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' ' 351' ' ' ALA . 8.4 mm-40 -63.43 -39.36 94.28 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.014 -0.539 . . . . 10.0 109.685 178.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -64.96 -36.33 84.03 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-N 115.703 -0.681 . . . . 10.0 109.966 178.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 357' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 353' ' ' ALA . 72.5 mt -70.5 -40.17 73.7 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 110.012 -0.366 . . . . 10.0 110.012 179.051 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 20.3 m -62.56 -39.91 95.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.211 -0.449 . . . . 10.0 110.276 178.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 1.6 p -76.96 -32.85 57.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.064 0.459 . . . . 10.0 110.159 178.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 360' ' ' LEU . . . . . 0.564 ' HA ' ' HE3' ' A' ' 363' ' ' LYS . 56.3 tp -65.16 -30.24 71.14 Favored 'General case' 0 CA--C 1.517 -0.292 0 N-CA-C 109.022 -0.732 . . . . 10.0 109.022 178.438 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 35.7 m -63.19 -30.55 71.67 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.536 -0.757 . . . . 10.0 109.842 178.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 362' ' ' GLU . . . . . 0.442 ' HA ' ' HD2' ' A' ' 366' ' ' PRO . 5.3 mm-40 -72.39 -22.79 61.08 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.35 -0.611 . . . . 10.0 109.35 179.011 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 363' ' ' LYS . . . . . 0.738 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 44.6 mtmt -91.97 -23.16 19.65 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.503 -0.771 . . . . 10.0 110.529 179.493 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 364' ' ' ALA . . . . . 0.445 ' O ' ' HB2' ' A' ' 368' ' ' LEU . . . -91.16 -33.69 15.32 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.909 -179.653 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 365' ' ' LYS . . . . . 1.012 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 82.8 mttt -97.79 -74.18 0.04 OUTLIER Pre-proline 0 CA--C 1.538 0.49 0 N-CA-C 112.423 0.527 . . . . 10.0 112.423 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 366' ' ' PRO . . . . . 1.012 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 32.3 Cg_exo -61.84 -54.19 1.71 Allowed 'Trans proline' 0 C--N 1.355 0.876 0 C-N-CA 121.923 1.749 . . . . 10.0 113.034 -179.382 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 367' ' ' ALA . . . . . 0.738 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -57.23 -48.49 78.7 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.325 0.491 . . . . 10.0 112.325 -179.316 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 368' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' ' 363' ' ' LYS . 12.1 mt -64.86 -37.56 88.05 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.912 -0.315 . . . . 10.0 111.041 179.42 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -60.79 -50.25 74.22 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.089 -0.708 . . . . 10.0 109.089 178.628 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.28 -43.12 92.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.755 -0.657 . . . . 10.0 110.505 179.343 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 75.1 mt -63.36 -45.99 88.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.669 179.403 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 82.9 mtt180 -65.47 -36.9 85.26 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 120.769 0.319 . . . . 10.0 110.774 179.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -63.09 -35.58 80.74 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.687 -0.688 . . . . 10.0 110.094 178.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -83.13 -31.93 27.29 Favored Glycine 0 N--CA 1.45 -0.412 0 CA-C-N 115.907 -0.588 . . . . 10.0 112.015 179.274 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 375' ' ' LEU . . . . . 0.53 HD11 ' H40' ' A' ' 416' ' ' 17F . 43.3 mt -61.92 -38.16 87.38 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 120.326 0.107 . . . . 10.0 111.086 179.435 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 18.9 mt -52.54 -61.81 4.12 Favored Pre-proline 0 CA--C 1.54 0.584 0 N-CA-C 113.238 0.829 . . . . 10.0 113.238 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_endo -59.84 -36.42 90.94 Favored 'Trans proline' 0 C--N 1.356 0.964 0 C-N-CA 122.115 1.877 . . . . 10.0 111.638 179.169 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 57.5 t -64.04 -44.34 97.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 379' ' ' LEU . . . . . 0.438 ' O ' ' HG3' ' A' ' 383' ' ' LYS . 63.0 mt -63.08 -41.37 99.4 Favored 'General case' 0 CA--C 1.516 -0.365 0 N-CA-C 109.622 -0.511 . . . . 10.0 109.622 178.523 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 380' ' ' GLU . . . . . 0.469 ' O ' HG23 ' A' ' 384' ' ' VAL . 14.0 mt-10 -61.89 -43.03 99.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 10.0 109.987 178.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 16.3 m -63.56 -40.86 98.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.825 -0.625 . . . . 10.0 109.705 178.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -64.2 -39.4 93.9 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-N 115.833 -0.621 . . . . 10.0 110.512 179.267 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 383' ' ' LYS . . . . . 0.438 ' HG3' ' O ' ' A' ' 379' ' ' LEU . 91.7 mttt -58.9 -44.44 91.24 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 110.009 -0.367 . . . . 10.0 110.009 179.109 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 384' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 380' ' ' GLU . 39.6 t -65.1 -45.25 94.78 Favored 'Isoleucine or valine' 0 C--O 1.232 0.161 0 CA-C-O 121.059 0.457 . . . . 10.0 110.129 179.502 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 21.4 m -64.83 -38.65 91.71 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.849 -0.614 . . . . 10.0 111.55 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -72.74 -40.37 66.11 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.544 0.211 . . . . 10.0 111.35 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 17.7 mt -61.11 -44.81 96.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.803 0.335 . . . . 10.0 110.355 178.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 388' ' ' SER . . . . . 0.797 ' HB2' ' HD3' ' D' ' 594' ' ' LYS . 9.7 p -68.66 -34.93 76.55 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.604 179.514 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -65.33 -40.45 93.71 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.178 -0.465 . . . . 10.0 110.105 179.227 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 77.6 mt -62.09 -37.25 84.33 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.034 -0.53 . . . . 10.0 109.824 178.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -63.41 -38.7 92.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.925 -0.58 . . . . 10.0 110.174 178.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -56.72 -43.01 80.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.633 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -61.63 -42.99 99.67 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.926 -0.579 . . . . 10.0 109.906 178.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 18.0 m -70.42 -31.77 69.11 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.954 -0.567 . . . . 10.0 112.423 -179.65 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -82.83 -36.23 25.68 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 113.617 0.969 . . . . 10.0 113.617 -178.471 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 396' ' ' LYS . . . . . 0.474 ' HG2' ' HB2' ' D' ' 587' ' ' ALA . 1.7 mptt -98.47 -35.82 10.14 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 113.938 1.088 . . . . 10.0 113.938 -178.291 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 36.1 mt -93.75 -1.76 54.63 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.749 -0.38 . . . . 10.0 111.724 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 15.1 t30 . . . . . 0 C--N 1.324 -0.539 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.299 -179.736 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 399' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' D' ' 399' ' ' LEU . 3.7 mm? . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.909 0.385 . . . . 10.0 111.006 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -83.92 31.56 0.49 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.552 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 44.7 mt -65.71 -39.18 90.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.86 -0.609 . . . . 10.0 111.543 -179.48 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 87.3 mt -68.24 -41.24 81.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.823 0.344 . . . . 10.0 110.54 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -66.0 -44.57 84.43 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.58 -0.736 . . . . 10.0 109.689 179.463 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 404' ' ' ASN . . . . . 0.428 ' O ' HG23 ' D' ' 408' ' ' VAL . 26.8 t-20 -63.22 -46.5 86.68 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.423 -0.808 . . . . 10.0 110.668 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -63.17 -29.76 71.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.199 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -65.37 -43.25 91.32 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.849 -0.426 . . . . 10.0 109.849 179.15 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.29 -34.55 77.94 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.119 0.485 . . . . 10.0 110.028 179.193 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 408' ' ' VAL . . . . . 0.428 HG23 ' O ' ' D' ' 404' ' ' ASN . 54.8 t -68.44 -32.73 56.65 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-N 115.441 -0.799 . . . . 10.0 109.164 178.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 82.4 m -67.72 -40.54 84.22 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.515 -0.766 . . . . 10.0 109.332 178.152 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.6 -39.35 83.93 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.724 -0.671 . . . . 10.0 110.58 179.059 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.15 -37.35 80.95 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 116.178 -0.464 . . . . 10.0 110.019 179.337 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -65.84 -44.16 86.34 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.167 178.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 413' ' ' SER . . . . . 0.523 ' O ' ' HG3' ' D' ' 417' ' ' GLU . 14.5 m -58.94 -42.9 90.91 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.87 -0.418 . . . . 10.0 109.87 178.663 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 414' ' ' LYS . . . . . 0.426 ' HD3' ' HA ' ' D' ' 414' ' ' LYS . 28.6 mmtt -61.68 -37.18 83.14 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 121.248 0.547 . . . . 10.0 110.566 178.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 85.5 mt -69.57 -38.88 77.58 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.867 -0.606 . . . . 10.0 109.596 178.651 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -64.94 -34.71 79.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.978 -0.555 . . . . 10.0 111.014 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 417' ' ' GLU . . . . . 0.531 ' O ' ' HD2' ' D' ' 421' ' ' PRO . 76.2 mt-10 -67.43 -40.9 85.51 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.296 -0.631 . . . . 10.0 109.296 178.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 418' ' ' GLN . . . . . 0.645 ' O ' ' HB ' ' D' ' 422' ' ' VAL . 46.1 mt-30 -71.88 -25.3 61.88 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.763 -0.653 . . . . 10.0 110.201 179.027 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 419' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' D' ' 419' ' ' LEU . 17.6 mt -74.38 -0.4 17.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.691 -0.686 . . . . 10.0 111.235 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -99.68 -94.18 2.09 Favored Glycine 0 N--CA 1.444 -0.828 0 CA-C-N 115.71 -0.677 . . . . 10.0 111.557 178.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 421' ' ' PRO . . . . . 0.531 ' HD2' ' O ' ' D' ' 417' ' ' GLU . 85.4 Cg_exo -50.33 -43.39 44.09 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 123.662 2.908 . . . . 10.0 113.773 -179.697 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 422' ' ' VAL . . . . . 0.645 ' HB ' ' O ' ' D' ' 418' ' ' GLN . 57.4 t -63.69 -40.88 90.68 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 CA-C-O 120.579 0.228 . . . . 10.0 111.342 -179.453 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 423' ' ' THR . . . . . 0.416 ' HA ' ' HB3' ' D' ' 426' ' ' PHE . 3.8 m -73.73 -35.19 65.05 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.938 -0.393 . . . . 10.0 109.938 179.617 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -60.71 -45.59 93.63 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.103 -0.499 . . . . 10.0 109.841 178.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -75.29 -25.05 57.64 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.272 -0.422 . . . . 10.0 110.219 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 426' ' ' PHE . . . . . 0.417 ' O ' ' HG ' ' D' ' 430' ' ' LEU . 23.3 t80 -66.34 -39.87 89.49 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 108.576 -0.898 . . . . 10.0 108.576 177.771 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 427' ' ' TRP . . . . . 0.549 ' HA ' HD12 ' D' ' 430' ' ' LEU . 4.3 m95 -67.19 -39.36 86.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.466 -0.788 . . . . 10.0 109.316 178.069 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -66.8 -32.99 74.63 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 108.626 -0.879 . . . . 10.0 108.626 177.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -67.99 -42.53 80.63 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 108.944 -0.761 . . . . 10.0 108.944 177.383 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 430' ' ' LEU . . . . . 0.549 HD12 ' HA ' ' D' ' 427' ' ' TRP . 85.9 mt -55.82 -38.21 69.7 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 115.832 -0.622 . . . . 10.0 109.555 178.728 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 -62.87 -46.18 89.06 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.826 -0.625 . . . . 10.0 109.591 178.147 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -61.44 -44.5 97.01 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 116.123 -0.489 . . . . 10.0 109.904 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 433' ' ' GLU . . . . . 0.443 ' O ' ' HG ' ' D' ' 437' ' ' LEU . 13.3 mt-10 -62.99 -53.21 57.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.758 -0.656 . . . . 10.0 111.555 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 12.0 p -63.69 -45.5 89.75 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.732 0.271 . . . . 10.0 111.732 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 435' ' ' GLU . . . . . 0.466 ' O ' ' HG3' ' D' ' 439' ' ' GLN . 24.3 mm-40 -64.45 -41.08 96.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.814 0.34 . . . . 10.0 110.448 179.427 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -63.74 -42.07 98.73 Favored Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 110.549 -1.02 . . . . 10.0 110.549 178.534 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 437' ' ' LEU . . . . . 0.444 ' O ' ' HB2' ' D' ' 441' ' ' MET . 73.9 mt -67.64 -29.66 69.02 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.587 -0.523 . . . . 10.0 109.587 178.701 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 61.4 mtt180 -71.02 -29.69 65.69 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.222 -0.445 . . . . 10.0 109.929 178.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 439' ' ' GLN . . . . . 0.466 ' HG3' ' O ' ' D' ' 435' ' ' GLU . 97.5 mt-30 -61.02 -40.24 92.83 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 109.625 -0.509 . . . . 10.0 109.625 178.742 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 440' ' ' GLU . . . . . 0.478 ' O ' ' HB2' ' D' ' 444' ' ' ASP . 4.8 pt-20 -87.16 -41.5 13.71 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.626 -0.715 . . . . 10.0 111.384 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 441' ' ' MET . . . . . 0.444 ' HB2' ' O ' ' D' ' 437' ' ' LEU . 6.9 mmm -61.76 -38.72 89.04 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 112.605 0.595 . . . . 10.0 112.605 -179.123 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 36.1 p -64.81 -54.26 34.02 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.787 -0.449 . . . . 10.0 109.787 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 443' ' ' LYS . . . . . 0.453 ' HB3' ' HE3' ' D' ' 443' ' ' LYS . 16.3 mtpp -61.9 -29.05 69.95 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.947 -0.57 . . . . 10.0 110.337 179.06 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 444' ' ' ASP . . . . . 0.54 ' O ' HG23 ' D' ' 448' ' ' VAL . 4.9 t0 -70.26 -57.76 4.52 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.811 -0.631 . . . . 10.0 109.786 179.303 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 11.9 mt -60.4 -42.8 96.68 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.659 0.615 . . . . 10.0 112.659 -179.259 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -64.46 -25.92 68.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.361 0.601 . . . . 10.0 110.04 179.563 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 447' ' ' GLU . . . . . 0.451 ' HB2' ' O ' ' D' ' 443' ' ' LYS . 4.7 tt0 -90.97 -23.94 20.27 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.835 -0.62 . . . . 10.0 109.989 179.11 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 448' ' ' VAL . . . . . 0.54 HG23 ' O ' ' D' ' 444' ' ' ASP . 6.6 t -60.86 -41.58 89.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 109.136 -0.69 . . . . 10.0 109.136 178.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 70.6 mttt -64.91 -25.58 67.94 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.431 -0.804 . . . . 10.0 109.808 178.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -94.47 -1.57 53.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.579 -0.737 . . . . 10.0 111.316 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 451' ' ' LYS . . . . . 0.433 ' O ' ' HB2' ' D' ' 455' ' ' TYR . 36.7 mmtm -113.04 -45.83 3.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.497 -0.319 . . . . 10.0 110.915 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 98.3 t -68.34 -40.78 82.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.315 -0.402 . . . . 10.0 111.367 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -55.73 -60.06 9.68 Favored Pre-proline 0 CA--C 1.536 0.408 0 N-CA-C 112.18 0.437 . . . . 10.0 112.18 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -64.84 -29.77 58.59 Favored 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 121.54 1.494 . . . . 10.0 111.647 179.217 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 455' ' ' TYR . . . . . 0.535 ' O ' ' HB2' ' D' ' 459' ' ' PHE . 2.6 t80 -69.54 -41.97 75.24 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 110.14 -0.319 . . . . 10.0 110.14 179.285 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 20.0 mt -66.25 -36.19 82.35 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.854 -0.424 . . . . 10.0 109.854 179.12 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -67.1 -50.63 60.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.852 -0.613 . . . . 10.0 109.987 178.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -63.39 -36.67 84.48 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-N 115.877 -0.601 . . . . 10.0 109.991 179.293 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 459' ' ' PHE . . . . . 0.535 ' HB2' ' O ' ' D' ' 455' ' ' TYR . 0.0 OUTLIER -65.58 -47.95 74.02 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 115.716 -0.675 . . . . 10.0 109.58 178.552 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -62.61 -35.15 78.63 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.914 -0.585 . . . . 10.0 110.346 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 461' ' ' LYS . . . . . 0.433 ' O ' ' HG3' ' D' ' 465' ' ' GLU . 61.5 mttt -61.41 -46.23 91.0 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.312 -0.625 . . . . 10.0 109.312 178.106 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 462' ' ' LYS . . . . . 0.776 ' HB3' H283 ' D' ' 602' ' ' PCW . 14.9 mtmm -67.66 -36.18 80.25 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 115.521 -0.763 . . . . 10.0 110.202 178.406 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 37.9 m0 -62.62 -46.42 88.34 Favored 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 108.613 -0.884 . . . . 10.0 108.613 177.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -59.0 -44.72 91.69 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-N 115.485 -0.78 . . . . 10.0 109.745 178.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 465' ' ' GLU . . . . . 0.611 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 36.2 mt-10 -56.66 -58.67 7.08 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.434 179.347 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.86 -42.73 98.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.436 -179.512 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 25.8 ttm -60.69 -45.43 94.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.706 0.289 . . . . 10.0 110.767 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -67.98 -41.2 82.71 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 116.382 -0.372 . . . . 10.0 110.086 178.623 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 469' ' ' LEU . . . . . 0.611 ' HG ' ' O ' ' D' ' 465' ' ' GLU . 65.9 mt -57.36 -41.85 80.93 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 116.242 -0.436 . . . . 10.0 110.171 179.111 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 14.3 m-30 -62.91 -26.61 68.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 10.0 111.059 179.408 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 471' ' ' ARG . . . . . 0.854 ' HA ' ' HG3' ' D' ' 475' ' ' GLU . 14.5 mmt85 -74.89 -19.91 59.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.099 -0.501 . . . . 10.0 110.205 178.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 472' ' ' GLN . . . . . 0.402 ' H ' ' HG2' ' D' ' 472' ' ' GLN . 0.0 OUTLIER -114.5 10.61 16.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 10.0 111.09 178.779 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 473' ' ' LYS . . . . . 0.554 ' HG2' HD13 ' A' ' 301' ' ' LEU . 83.6 mttt -133.51 -64.83 0.7 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.781 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 94.9 t -63.19 -42.18 95.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.574 -0.285 . . . . 10.0 110.766 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 475' ' ' GLU . . . . . 0.854 ' HG3' ' HA ' ' D' ' 471' ' ' ARG . 3.0 mt-10 -58.06 -57.19 27.68 Favored Pre-proline 0 CA--C 1.538 0.509 0 N-CA-C 112.052 0.39 . . . . 10.0 112.052 179.415 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_endo -62.46 -34.63 75.44 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 121.821 1.681 . . . . 10.0 111.142 177.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 19.6 mt -64.75 -31.21 72.33 Favored 'General case' 0 CA--C 1.522 -0.109 0 CA-C-O 121.23 0.538 . . . . 10.0 109.707 178.551 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 478' ' ' ARG . . . . . 0.43 ' O ' ' HB2' ' D' ' 482' ' ' GLN . 13.7 mtt180 -67.3 -29.6 69.23 Favored 'General case' 0 C--O 1.22 -0.474 0 N-CA-C 109.228 -0.656 . . . . 10.0 109.228 177.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -76.13 -38.79 56.38 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 108.321 -0.992 . . . . 10.0 108.321 178.216 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.41 -45.5 94.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.347 -0.842 . . . . 10.0 108.764 177.707 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 90.1 mt -74.77 -25.63 59.2 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 115.513 -0.767 . . . . 10.0 110.4 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 482' ' ' GLN . . . . . 0.43 ' HB2' ' O ' ' D' ' 478' ' ' ARG . 7.0 tp60 -65.59 -59.62 3.77 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.315 -0.624 . . . . 10.0 109.315 179.046 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.33 -34.69 78.55 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.519 -0.764 . . . . 10.0 110.24 179.574 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -64.83 -44.1 95.2 Favored Glycine 0 N--CA 1.446 -0.637 0 N-CA-C 111.388 -0.685 . . . . 10.0 111.388 178.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -67.59 -39.18 84.82 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 109.735 -0.468 . . . . 10.0 109.735 178.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -62.83 -41.9 99.51 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 116.071 -0.513 . . . . 10.0 109.665 178.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 487' ' ' GLN . . . . . 0.473 ' O ' ' HG3' ' D' ' 491' ' ' GLU . 6.2 mm-40 -66.75 -43.6 83.67 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.709 -0.678 . . . . 10.0 109.472 178.514 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -63.98 -37.58 87.94 Favored 'General case' 0 C--O 1.224 -0.24 0 N-CA-C 109.69 -0.485 . . . . 10.0 109.69 178.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 31.8 mt -64.3 -38.64 91.77 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 109.17 -0.678 . . . . 10.0 109.17 177.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -66.69 -45.76 77.77 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 108.181 -1.044 . . . . 10.0 108.181 177.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 491' ' ' GLU . . . . . 0.473 ' HG3' ' O ' ' D' ' 487' ' ' GLN . 42.9 mt-10 -58.28 -41.36 84.18 Favored 'General case' 0 CA--C 1.52 -0.174 0 N-CA-C 109.269 -0.641 . . . . 10.0 109.269 178.209 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 49.9 mt -66.63 -47.31 72.99 Favored 'General case' 0 C--O 1.22 -0.473 0 CA-C-N 115.728 -0.669 . . . . 10.0 110.408 179.14 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -60.1 -37.47 80.08 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.783 0.325 . . . . 10.0 110.803 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -69.32 -8.2 44.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.965 179.111 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 495' ' ' LYS . . . . . 0.715 ' HE3' HD22 ' A' ' 279' ' ' LEU . 48.5 mttp -112.93 -44.28 3.31 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.123 179.182 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 496' ' ' LEU . . . . . 0.403 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 80.5 mt -62.55 -22.32 66.24 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.88 -0.6 . . . . 10.0 111.846 -179.398 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 497' ' ' SER . . . . . 0.528 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 10.4 m -81.41 -65.46 0.25 Allowed Pre-proline 0 C--N 1.325 -0.488 0 C-N-CA 120.786 -0.365 . . . . 10.0 111.868 179.733 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 498' ' ' PRO . . . . . 0.528 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 41.0 Cg_endo -66.44 -45.99 4.52 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 121.66 1.573 . . . . 10.0 112.15 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 499' ' ' LEU . . . . . 0.695 HD21 ' HG2' ' A' ' 275' ' ' LYS . 82.9 mt -72.54 -29.94 64.01 Favored 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 110.077 -0.342 . . . . 10.0 110.077 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 500' ' ' GLY . . . . . 0.43 ' O ' ' HG3' ' D' ' 504' ' ' ARG . . . -65.56 -50.6 53.82 Favored Glycine 0 N--CA 1.442 -0.959 0 N-CA-C 110.479 -1.048 . . . . 10.0 110.479 178.778 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -65.64 -34.66 78.74 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 109.545 -0.539 . . . . 10.0 109.545 178.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 502' ' ' GLU . . . . . 0.417 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 23.9 tt0 -64.08 -45.61 87.95 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 109.234 -0.654 . . . . 10.0 109.234 178.119 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 503' ' ' MET . . . . . 0.435 ' HA ' ' HD2' ' D' ' 506' ' ' ARG . 74.8 mmm -61.66 -36.05 79.72 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 109.392 -0.595 . . . . 10.0 109.392 178.73 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 504' ' ' ARG . . . . . 0.43 ' HG3' ' O ' ' D' ' 500' ' ' GLY . 95.1 mtt180 -63.56 -46.8 84.25 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.267 -0.642 . . . . 10.0 109.267 178.27 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 505' ' ' ASP . . . . . 0.669 ' HA ' ' HD2' ' D' ' 508' ' ' ARG . 4.3 m-20 -64.3 -39.74 94.54 Favored 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.375 179.305 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 506' ' ' ARG . . . . . 0.435 ' HD2' ' HA ' ' D' ' 503' ' ' MET . 57.9 mtt180 -59.15 -47.2 86.16 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 108.812 -0.811 . . . . 10.0 108.812 178.359 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -62.83 -40.21 96.7 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.492 -0.776 . . . . 10.0 109.635 179.119 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 508' ' ' ARG . . . . . 0.669 ' HD2' ' HA ' ' D' ' 505' ' ' ASP . 72.5 mtt180 -59.2 -41.34 88.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.246 -0.434 . . . . 10.0 110.435 178.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -68.01 -42.27 80.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.908 -0.587 . . . . 10.0 111.281 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 510' ' ' HIS . . . . . 0.444 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 75.6 m-70 -71.67 -45.27 62.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.827 0.346 . . . . 10.0 110.668 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.35 -42.29 95.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.364 -0.38 . . . . 10.0 110.362 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 512' ' ' ASP . . . . . 0.506 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 12.0 t70 -65.43 -35.52 81.18 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 121.055 0.455 . . . . 10.0 109.917 179.343 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 513' ' ' ALA . . . . . 0.428 ' HB2' ' NZ ' ' A' ' 264' ' ' LYS . . . -66.12 -41.05 91.06 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 108.506 -0.924 . . . . 10.0 108.506 177.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 514' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' D' ' 510' ' ' HIS . 70.6 mt -60.5 -34.4 74.02 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 115.957 -0.565 . . . . 10.0 109.637 178.522 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 515' ' ' ARG . . . . . 0.506 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 82.6 mtt180 -67.35 -23.55 65.62 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.953 -0.567 . . . . 10.0 109.716 178.446 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -103.7 1.5 31.91 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.539 -0.755 . . . . 10.0 110.369 -179.53 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 517' ' ' HIS . . . . . 0.403 ' O ' ' HB2' ' D' ' 521' ' ' TYR . 38.7 m170 -115.59 -64.71 1.28 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.382 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 79.4 mt -65.11 -51.29 62.17 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 115.899 -0.591 . . . . 10.0 112.188 -178.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 519' ' ' ALA . . . . . 0.672 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -53.71 -58.31 13.67 Favored Pre-proline 0 CA--C 1.54 0.592 0 N-CA-C 113.117 0.784 . . . . 10.0 113.117 -179.372 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 520' ' ' PRO . . . . . 0.672 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 38.0 Cg_exo -62.47 -41.27 33.85 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 121.958 1.772 . . . . 10.0 111.543 179.534 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 521' ' ' TYR . . . . . 0.403 ' HB2' ' O ' ' D' ' 517' ' ' HIS . 6.7 t80 -67.45 -34.69 77.71 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.31 -0.405 . . . . 10.0 111.74 -179.274 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 522' ' ' SER . . . . . 0.514 ' O ' ' HG3' ' D' ' 526' ' ' ARG . 94.8 p -64.95 -34.03 77.45 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 121.036 -0.266 . . . . 10.0 110.748 179.448 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 523' ' ' ASP . . . . . 0.489 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 25.6 t70 -69.43 -35.93 76.18 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 109.367 -0.605 . . . . 10.0 109.367 178.504 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -71.32 -35.6 71.29 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 108.236 -1.024 . . . . 10.0 108.236 177.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 525' ' ' LEU . . . . . 0.458 ' O ' ' HG ' ' D' ' 529' ' ' LEU . 28.5 mt -64.96 -34.22 77.91 Favored 'General case' 0 C--O 1.22 -0.49 0 CA-C-N 115.196 -0.911 . . . . 10.0 109.014 177.812 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 526' ' ' ARG . . . . . 0.514 ' HG3' ' O ' ' D' ' 522' ' ' SER . 82.4 mtt180 -61.09 -35.65 77.55 Favored 'General case' 0 C--O 1.227 -0.107 0 O-C-N 123.471 0.482 . . . . 10.0 109.784 178.584 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -64.7 -40.12 94.82 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 108.671 -0.863 . . . . 10.0 108.671 178.637 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 528' ' ' ARG . . . . . 0.706 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 93.3 mtt180 -71.48 -46.41 59.95 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.751 -1.113 . . . . 10.0 109.849 179.432 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 529' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' D' ' 525' ' ' LEU . 95.1 mt -59.4 -39.53 83.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.62 179.393 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -62.89 -46.79 86.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 10.0 110.166 179.275 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -65.37 -41.62 93.58 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.183 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -64.33 -45.33 88.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.017 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 55.8 mt -65.85 -37.64 86.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.058 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 534' ' ' GLU . . . . . 0.536 ' HA ' ' HE3' ' D' ' 537' ' ' LYS . 26.3 tt0 -64.46 -40.05 94.98 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 115.928 -0.578 . . . . 10.0 109.523 178.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -64.37 -42.99 95.9 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 108.571 -0.899 . . . . 10.0 108.571 178.385 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 95.4 mt -65.19 -26.78 68.29 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.615 -0.721 . . . . 10.0 110.629 179.052 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 537' ' ' LYS . . . . . 0.536 ' HE3' ' HA ' ' D' ' 534' ' ' GLU . 47.6 mtmt -80.4 -37.69 31.74 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.866 -0.42 . . . . 10.0 109.866 178.362 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -70.67 -56.78 5.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 10.0 109.948 178.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 10.4 m-20 -66.55 -36.04 81.69 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.34 -0.615 . . . . 10.0 109.34 179.402 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -66.2 -41.0 95.08 Favored Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 111.17 -0.772 . . . . 10.0 111.17 179.19 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -63.35 -43.06 98.92 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 110.215 -1.154 . . . . 10.0 110.215 178.545 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -63.88 -46.52 84.54 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.938 -0.764 . . . . 10.0 108.938 178.349 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 53.2 mtt180 -58.5 -37.27 75.23 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.609 179.02 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 52.2 mt -64.68 -40.9 96.18 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.755 -0.461 . . . . 10.0 109.755 179.197 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -68.13 -43.46 78.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.836 -0.62 . . . . 10.0 109.418 178.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 546' ' ' GLU . . . . . 0.414 ' O ' ' HB2' ' D' ' 550' ' ' LYS . 33.1 mt-10 -62.21 -43.48 98.73 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 115.785 -0.643 . . . . 10.0 109.519 178.335 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -62.51 -41.27 98.72 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-N 115.852 -0.613 . . . . 10.0 109.486 178.539 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -62.34 -51.1 68.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.114 179.349 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -61.66 -51.01 70.22 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.022 -0.536 . . . . 10.0 110.955 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 550' ' ' LYS . . . . . 0.414 ' HB2' ' O ' ' D' ' 546' ' ' GLU . 0.0 OUTLIER -62.59 -31.19 71.98 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.013 -0.539 . . . . 10.0 111.322 -179.933 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -63.29 -41.88 99.01 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.649 -0.5 . . . . 10.0 109.649 178.672 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.87 -41.26 87.58 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.668 -0.493 . . . . 10.0 109.668 178.829 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -64.38 -46.35 83.71 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.711 -0.477 . . . . 10.0 109.711 178.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -61.4 -40.65 95.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.645 -0.707 . . . . 10.0 109.389 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 10.2 tp -64.54 -43.38 94.16 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.54 -0.755 . . . . 10.0 110.421 179.003 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 20.0 m -63.19 -41.02 99.12 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.298 178.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 7.4 m -70.15 -28.79 65.64 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.451 -0.574 . . . . 10.0 109.451 178.488 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 14.8 mt -67.45 -51.26 53.62 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.615 -0.721 . . . . 10.0 110.052 179.049 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 1.2 p -66.92 -36.02 81.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.758 0.313 . . . . 10.0 110.822 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -58.9 -30.83 68.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.878 -0.601 . . . . 10.0 111.226 179.524 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 561' ' ' LYS . . . . . 0.744 ' HA ' ' HE3' ' D' ' 561' ' ' LYS . 0.1 OUTLIER -99.25 -40.14 8.09 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 116.351 -0.386 . . . . 10.0 111.044 179.587 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -59.4 -45.21 92.14 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.813 0.671 . . . . 10.0 112.813 -179.017 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -55.3 -62.64 4.05 Favored Pre-proline 0 N--CA 1.463 0.216 0 N-CA-C 111.898 0.333 . . . . 10.0 111.898 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -61.53 -37.19 72.28 Favored 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 121.5 1.466 . . . . 10.0 111.616 179.287 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -61.23 -50.28 73.73 Favored 'General case' 0 C--O 1.22 -0.492 0 C-N-CA 121.362 -0.135 . . . . 10.0 110.682 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 42.6 mt -60.26 -43.74 95.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.68 0.276 . . . . 10.0 110.921 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -64.62 -52.26 58.38 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.209 0.528 . . . . 10.0 110.635 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -65.21 -40.06 93.63 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.828 -0.624 . . . . 10.0 112.365 -178.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 52.3 mt -62.98 -45.27 93.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.775 0.321 . . . . 10.0 110.354 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 570' ' ' ARG . . . . . 0.437 ' O ' ' HG ' ' D' ' 574' ' ' LEU . 60.6 mtt85 -66.72 -40.6 88.48 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.018 0.437 . . . . 10.0 110.405 179.162 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -66.54 -24.19 66.34 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.223 0.535 . . . . 10.0 110.266 178.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -89.9 -30.67 12.44 Favored Glycine 0 N--CA 1.443 -0.836 0 N-CA-C 110.697 -0.961 . . . . 10.0 110.697 178.625 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 28.5 mt -68.87 -37.25 78.95 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.533 -0.333 . . . . 10.0 110.881 179.417 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 574' ' ' LEU . . . . . 0.445 ' O ' ' HG2' ' D' ' 578' ' ' GLU . 96.7 mt -50.28 -61.91 3.23 Favored Pre-proline 0 CA--C 1.536 0.422 0 N-CA-C 112.882 0.697 . . . . 10.0 112.882 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -65.36 -33.55 47.31 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 121.887 1.724 . . . . 10.0 111.345 179.471 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 4.0 t -65.14 -45.62 93.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.644 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 72.0 mt -60.89 -40.6 93.64 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.465 -0.334 . . . . 10.0 110.102 179.215 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 578' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' D' ' 574' ' ' LEU . 15.5 mm-40 -64.4 -42.89 95.85 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.654 -0.498 . . . . 10.0 109.654 178.805 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 46.0 m -63.55 -40.72 97.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.0 -0.545 . . . . 10.0 109.751 178.55 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -64.47 -42.41 95.93 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.984 -0.553 . . . . 10.0 109.874 178.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -57.79 -49.36 76.87 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.182 178.455 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 582' ' ' VAL . . . . . 0.402 HG23 ' O ' ' D' ' 578' ' ' GLU . 91.3 t -60.37 -41.92 89.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.577 179.531 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 14.5 m -66.6 -40.06 88.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.677 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -69.82 -41.14 75.37 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.771 179.299 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 585' ' ' LEU . . . . . 0.403 ' O ' ' HG3' ' D' ' 589' ' ' GLU . 46.8 mt -59.69 -51.33 70.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 10.0 111.088 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 18.3 p -64.08 -30.9 71.94 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.974 0.416 . . . . 10.0 110.659 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 587' ' ' ALA . . . . . 0.474 ' HB2' ' HG2' ' A' ' 396' ' ' LYS . . . -69.92 -51.87 29.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.365 -0.38 . . . . 10.0 110.041 179.078 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 94.9 mt -59.92 -44.41 94.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.052 -0.522 . . . . 10.0 111.648 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 589' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' D' ' 585' ' ' LEU . 44.2 mt-10 -58.82 -53.15 61.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.878 0.37 . . . . 10.0 111.047 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -64.49 -36.46 84.25 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.454 -0.339 . . . . 10.0 111.908 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 591' ' ' TYR . . . . . 0.731 ' HB3' ' H48' ' D' ' 630' ' ' 17F . 3.1 m-30 -61.88 -43.46 98.79 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 116.264 -0.425 . . . . 10.0 110.421 178.705 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 9.9 m -65.83 -31.05 71.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.813 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -75.11 -47.72 27.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.22 -0.445 . . . . 10.0 111.012 179.606 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 594' ' ' LYS . . . . . 0.797 ' HD3' ' HB2' ' A' ' 388' ' ' SER . 0.1 OUTLIER -71.17 -38.03 72.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.312 -179.681 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 44.2 mt -98.68 50.43 0.98 Allowed 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.458 -0.571 . . . . 10.0 109.458 179.15 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 . . . . . 0 C--N 1.322 -0.599 0 CA-C-N 115.852 -0.613 . . . . 10.0 111.448 -179.29 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 6.8 m . . . . . 0 C--O 1.235 0.305 0 CA-C-O 120.79 0.329 . . . . 10.0 111.008 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.45 128.34 34.53 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 121.144 -0.222 . . . . 10.0 110.427 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -92.69 133.03 36.41 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.738 -0.468 . . . . 10.0 109.738 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -130.48 114.46 15.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.988 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.474 ' HA ' ' HB3' ' B' ' 54' ' ' ASP . 47.3 mttm -86.65 111.43 20.65 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.8 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.585 ' O ' ' HA ' ' B' ' 55' ' ' ILE . 20.6 mt -117.95 122.98 44.65 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.522 -179.144 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 7' ' ' VAL . . . . . 0.401 HG11 ' CD2' ' B' ' 71' ' ' TYR . 54.5 t -104.8 125.53 59.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-O 120.865 0.364 . . . . 10.0 110.925 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.519 ' HA ' ' HB3' ' B' ' 79' ' ' LEU . 21.3 t -85.61 119.62 34.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 108.92 -0.771 . . . . 10.0 108.92 179.394 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.0 m -125.9 151.81 32.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.964 0.411 . . . . 10.0 111.596 -178.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 156.18 176.31 28.15 Favored Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 115.808 -0.633 . . . . 10.0 111.533 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.74 -169.27 0.54 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.232 0.539 . . . . 10.0 111.993 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -94.69 152.93 18.07 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.608 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' GLY . . . . . 0.692 ' HA2' " H4'" ' B' ' 201' ' ' GSP . . . 70.27 16.72 73.52 Favored Glycine 0 N--CA 1.45 -0.376 0 CA-C-N 115.885 -0.598 . . . . 10.0 112.985 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.438 ' HA ' ' HB2' ' B' ' 83' ' ' ALA . 33.7 m -93.1 -22.09 5.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.752 0.311 . . . . 10.0 111.113 -179.697 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 101.12 22.36 10.78 Favored Glycine 0 CA--C 1.52 0.347 0 C-N-CA 120.987 -0.625 . . . . 10.0 114.516 179.053 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.522 ' HB2' ' O2B' ' B' ' 201' ' ' GSP . 31.2 mtmm -54.07 -56.93 13.39 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 117.248 0.524 . . . . 10.0 112.049 179.733 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 17' ' ' SER . . . . . 0.579 ' HB2' ' O1A' ' B' ' 201' ' ' GSP . 49.2 m -63.41 -50.08 71.22 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.08 -0.509 . . . . 10.0 112.322 -179.145 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 18' ' ' ALA . . . . . 0.555 ' HB3' ' C8 ' ' B' ' 201' ' ' GSP . . . -55.14 -48.38 73.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.62 -0.264 . . . . 10.0 111.356 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 54.6 tp -58.01 -38.32 75.94 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.921 0.391 . . . . 10.0 110.59 179.519 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 30.6 m -69.66 -42.28 74.41 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.421 179.282 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 98.9 mt -66.37 -34.85 72.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.968 -0.56 . . . . 10.0 110.431 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' GLN . . . . . 0.673 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 17.4 mm-40 -61.27 -23.54 65.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.889 -0.596 . . . . 10.0 111.027 179.186 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.403 ' O ' ' HE2' ' B' ' 42' ' ' LYS . 11.3 tp -96.7 -40.14 9.13 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.367 -0.379 . . . . 10.0 111.248 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.496 ' HA ' ' HD2' ' B' ' 42' ' ' LYS . 40.0 mm -72.06 -65.31 0.67 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.368 0 CA-C-N 116.255 -0.429 . . . . 10.0 112.11 -179.211 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -90.71 -16.96 27.58 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.102 0.477 . . . . 10.0 111.084 -178.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' ASN . . . . . 0.673 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 58.8 m-80 69.74 55.13 0.36 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.324 -0.853 . . . . 10.0 113.115 179.028 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -166.09 165.66 17.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.383 -0.371 . . . . 10.0 111.012 179.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' PHE . . . . . 0.506 ' HB2' ' NE2' ' B' ' 22' ' ' GLN . 64.6 t80 -106.48 142.98 35.25 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.385 0.612 . . . . 10.0 112.079 -179.104 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 2.0 m -102.81 105.18 17.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.361 -0.836 . . . . 10.0 109.546 179.03 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -65.26 -45.65 83.68 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.002 -0.544 . . . . 10.0 111.45 -179.261 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -70.36 150.79 45.93 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.246 -0.434 . . . . 10.0 110.274 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' TYR . . . . . 0.559 ' CD1' " H3'" ' B' ' 201' ' ' GSP . 8.2 t80 -94.81 137.0 34.46 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.527 -179.168 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -142.58 103.86 5.42 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.135 178.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' PRO . . . . . 0.619 ' HA ' ' S1G' ' B' ' 201' ' ' GSP . 76.5 Cg_exo -52.06 120.15 6.8 Favored 'Trans proline' 0 CA--C 1.529 0.257 0 C-N-CA 122.851 2.367 . . . . 10.0 111.267 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.9 116.28 27.69 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.584 -0.28 . . . . 10.0 110.797 -178.558 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.734 ' HA ' ' HB2' ' B' ' 59' ' ' ALA . 43.3 mm -83.2 -43.58 18.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 123.663 0.602 . . . . 10.0 111.243 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 37' ' ' GLU . . . . . 0.457 ' HG2' HD11 ' B' ' 56' ' ' LEU . 4.9 tt0 -162.84 109.31 1.2 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.853 0.359 . . . . 10.0 111.302 -179.691 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 38' ' ' ASP . . . . . 0.403 ' HB3' ' CE1' ' B' ' 40' ' ' TYR . 0.3 OUTLIER -124.63 136.57 54.04 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.441 -0.345 . . . . 10.0 110.469 179.743 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 10.8 m -106.49 130.25 54.31 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.675 0.274 . . . . 10.0 111.306 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' TYR . . . . . 0.403 ' CE1' ' HB3' ' B' ' 38' ' ' ASP . 99.4 m-85 -130.71 124.73 32.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.414 -0.357 . . . . 10.0 110.551 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -117.98 129.82 55.82 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.793 0.33 . . . . 10.0 111.098 179.702 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 42' ' ' LYS . . . . . 0.496 ' HD2' ' HA ' ' B' ' 24' ' ' ILE . 45.6 tttp -143.41 136.16 27.5 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.462 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -101.04 114.09 27.7 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.279 -0.418 . . . . 10.0 109.976 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 15.4 m -131.99 169.02 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.059 0.457 . . . . 10.0 111.089 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 84.6 t -102.75 119.29 50.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 109.64 -0.504 . . . . 10.0 109.64 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 49.3 mt -120.48 118.57 57.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.681 -0.236 . . . . 10.0 110.41 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' ASP . . . . . 0.474 ' OD2' ' HD3' ' B' ' 161' ' ' ARG . 30.8 m-20 61.24 23.79 13.97 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 116.027 -0.533 . . . . 10.0 111.972 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.0 4.24 72.28 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.82 -0.705 . . . . 10.0 112.113 -179.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -115.65 118.75 33.95 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.947 -0.39 . . . . 10.0 109.947 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -68.23 119.39 12.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.56 -0.291 . . . . 10.0 110.276 179.658 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 28.4 m -125.14 142.38 51.53 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.14 0.495 . . . . 10.0 112.165 -179.01 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 47.7 tp -100.22 110.24 22.5 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 107.743 -1.206 . . . . 10.0 107.743 178.036 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 80.0 mt -84.59 120.95 26.94 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 112.88 0.696 . . . . 10.0 112.88 -177.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' ASP . . . . . 0.474 ' HB3' ' HA ' ' B' ' 5' ' ' LYS . 19.9 t0 -102.63 77.63 1.63 Allowed 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 107.143 -1.428 . . . . 10.0 107.143 177.582 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 55' ' ' ILE . . . . . 0.585 ' HA ' ' O ' ' B' ' 6' ' ' LEU . 72.0 mt -87.37 131.86 34.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.345 -0.843 . . . . 10.0 112.192 -177.808 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.457 HD11 ' HG2' ' B' ' 37' ' ' GLU . 44.0 tp -119.14 116.44 26.34 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.479 -0.782 . . . . 10.0 110.857 179.41 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -91.46 113.64 25.96 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.369 -0.975 . . . . 10.0 108.369 178.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 39.1 p -100.56 -177.91 3.63 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.559 0.577 . . . . 10.0 112.559 -178.438 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' ALA . . . . . 0.734 ' HB2' ' HA ' ' B' ' 36' ' ' ILE . . . -81.19 -176.35 5.93 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.336 0.588 . . . . 10.0 111.909 -179.417 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -151.49 28.56 0.96 Allowed Glycine 0 N--CA 1.445 -0.738 0 N-CA-C 110.351 -1.1 . . . . 10.0 110.351 179.36 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 -100.78 8.55 43.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.353 -0.423 . . . . 10.0 111.653 -179.012 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.724 ' HG3' ' H ' ' B' ' 63' ' ' GLU . 11.1 tp10 59.57 -152.75 0.39 Allowed 'General case' 0 N--CA 1.466 0.33 0 O-C-N 123.706 0.629 . . . . 10.0 110.121 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.724 ' H ' ' HG3' ' B' ' 62' ' ' GLU . 0.5 OUTLIER 72.93 -49.55 0.7 Allowed 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 112.851 0.686 . . . . 10.0 112.851 179.273 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 64' ' ' TYR . . . . . 0.535 ' HB3' ' HB3' ' B' ' 67' ' ' MET . 4.5 m-85 -76.87 81.36 3.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.915 0.388 . . . . 10.0 111.919 -179.403 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 17.8 m -84.62 -31.92 23.99 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.106 0.479 . . . . 10.0 110.325 179.418 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.13 -39.48 33.48 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.736 -0.665 . . . . 10.0 110.865 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 67' ' ' MET . . . . . 0.535 ' HB3' ' HB3' ' B' ' 64' ' ' TYR . 23.6 ttt -65.52 -39.36 91.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.097 0.475 . . . . 10.0 109.951 179.058 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 68' ' ' ARG . . . . . 0.663 ' HA ' ' CE1' ' B' ' 71' ' ' TYR . 26.8 ttp180 -62.26 -40.94 97.89 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 115.625 -0.716 . . . . 10.0 110.316 179.447 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -60.13 -38.04 81.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.706 -0.679 . . . . 10.0 110.437 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -62.77 -58.86 5.97 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.022 -0.536 . . . . 10.0 112.355 -178.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 71' ' ' TYR . . . . . 0.663 ' CE1' ' HA ' ' B' ' 68' ' ' ARG . 10.5 p90 -67.28 -19.65 65.52 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 113.704 1.001 . . . . 10.0 113.704 -178.006 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 72' ' ' MET . . . . . 0.551 ' HA ' ' HZ ' ' B' ' 78' ' ' PHE . 35.4 mtt -70.37 -24.47 62.97 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.149 0.499 . . . . 10.0 110.898 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -77.01 -49.78 14.64 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.0 -0.546 . . . . 10.0 110.152 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.37 -37.72 83.62 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.555 -0.748 . . . . 10.0 111.826 -179.315 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.63 125.47 20.15 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.896 -0.669 . . . . 10.0 112.323 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -88.75 -41.35 12.6 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.264 0.554 . . . . 10.0 109.677 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 77' ' ' GLY . . . . . 0.417 ' O ' ' HA ' ' B' ' 6' ' ' LEU . . . -117.0 145.76 18.75 Favored Glycine 0 N--CA 1.443 -0.849 0 N-CA-C 110.284 -1.126 . . . . 10.0 110.284 178.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 78' ' ' PHE . . . . . 0.551 ' HZ ' ' HA ' ' B' ' 72' ' ' MET . 80.3 m-85 -120.9 142.18 49.93 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.179 0.514 . . . . 10.0 112.105 -178.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.519 ' HB3' ' HA ' ' B' ' 8' ' ' VAL . 12.3 tp -113.06 97.27 6.41 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.535 -0.757 . . . . 10.0 110.126 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 80' ' ' CYS . . . . . 0.54 ' HB3' HD12 ' B' ' 93' ' ' ILE . 29.8 m -79.42 97.87 6.54 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.145 -0.479 . . . . 10.0 110.147 179.25 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 48.0 t -105.05 121.47 57.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.871 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 82' ' ' PHE . . . . . 0.409 ' HB3' HD11 ' B' ' 93' ' ' ILE . 38.5 p90 -130.32 165.67 21.99 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.667 -0.697 . . . . 10.0 110.279 179.119 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.438 ' HB2' ' HA ' ' B' ' 14' ' ' VAL . . . -101.98 127.92 48.63 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.169 -0.678 . . . . 10.0 109.169 178.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 43.9 pt -68.27 -8.72 9.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.926 0.393 . . . . 10.0 111.638 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -102.86 8.99 39.13 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.423 179.34 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 38.1 t-20 -135.13 115.96 14.0 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.506 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.01 -30.15 62.31 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.772 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -59.83 -42.61 93.95 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.849 179.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 89' ' ' SER . . . . . 0.419 ' O ' HG12 ' B' ' 93' ' ' ILE . 0.9 OUTLIER -68.28 -34.67 76.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 10.0 111.414 -179.705 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -65.67 -43.87 87.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.66 0.267 . . . . 10.0 111.377 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -70.25 -31.2 68.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.361 -0.381 . . . . 10.0 110.277 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.51 -32.09 72.11 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.809 -0.632 . . . . 10.0 111.243 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 93' ' ' ILE . . . . . 0.54 HD12 ' HB3' ' B' ' 80' ' ' CYS . 51.8 mm -58.53 -38.13 68.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.001 -0.545 . . . . 10.0 111.086 -179.516 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -65.52 -51.37 60.47 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.997 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -63.49 -34.46 77.81 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.875 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 96' ' ' TYR . . . . . 0.499 ' O ' HG13 ' B' ' 100' ' ' ILE . 2.2 m-85 -69.89 -41.83 74.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.45 179.212 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 47.0 ttt-85 -64.93 -41.7 95.31 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.537 -179.509 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -59.56 -40.09 86.18 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.374 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 99' ' ' GLN . . . . . 0.451 ' O ' HG23 ' B' ' 103' ' ' VAL . 47.4 tt0 -66.29 -43.09 87.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.359 -0.382 . . . . 10.0 110.998 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 100' ' ' ILE . . . . . 0.499 HG13 ' O ' ' B' ' 96' ' ' TYR . 77.3 mt -54.52 -45.63 70.95 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 CA-C-O 121.282 0.563 . . . . 10.0 110.696 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 101' ' ' LYS . . . . . 0.503 ' HB3' ' HE3' ' C' ' 184' ' ' LYS . 38.4 mtmt -59.81 -39.38 84.83 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.659 -0.7 . . . . 10.0 111.902 -179.553 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 7.3 tmm_? -74.51 -43.77 54.4 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.39 -0.368 . . . . 10.0 111.507 -179.425 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 103' ' ' VAL . . . . . 0.451 HG23 ' O ' ' B' ' 99' ' ' GLN . 93.0 t -61.66 -45.97 97.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.1 -0.5 . . . . 10.0 112.185 -179.451 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 104' ' ' LYS . . . . . 0.479 ' HD2' ' HE2' ' B' ' 78' ' ' PHE . 26.8 mtpp -85.72 -7.24 58.91 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.937 0.347 . . . . 10.0 111.937 -179.019 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 4.3 t70 59.6 50.66 7.08 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 123.695 0.622 . . . . 10.0 111.44 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 58.0 m -156.56 131.89 9.29 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.016 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -73.62 -28.32 61.74 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.302 -0.629 . . . . 10.0 109.302 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -90.12 119.16 30.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.315 -0.857 . . . . 10.0 111.056 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 4.6 t -133.05 112.97 13.46 Favored Pre-proline 0 C--O 1.239 0.533 0 CA-C-N 115.817 -0.628 . . . . 10.0 110.203 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.73 106.36 1.08 Allowed 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 122.512 2.141 . . . . 10.0 111.371 179.542 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 59.0 mtm -147.09 161.35 41.02 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.297 -179.214 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 93.4 t -133.73 134.15 56.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.153 -0.684 . . . . 10.0 109.153 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 113' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' B' ' 113' ' ' LEU . 13.3 tp -77.53 124.85 28.45 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.997 -0.371 . . . . 10.0 109.997 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 95.7 t -120.53 122.87 69.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.308 -0.405 . . . . 10.0 111.136 -179.25 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -114.36 111.36 2.56 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 110.304 -1.118 . . . . 10.0 110.304 178.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 116' ' ' ASN . . . . . 0.575 ' HA ' ' O ' ' B' ' 144' ' ' THR . 63.4 t30 -97.81 165.22 12.05 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.576 0.227 . . . . 10.0 110.768 -179.149 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 117' ' ' LYS . . . . . 0.457 ' HB3' HD12 ' B' ' 120' ' ' LEU . 53.6 mttt 72.28 28.42 2.38 Favored 'General case' 0 C--O 1.232 0.17 0 N-CA-C 112.734 0.642 . . . . 10.0 112.734 179.21 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 79.3 m -65.89 -15.88 63.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.948 0.404 . . . . 10.0 111.517 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -82.85 -3.12 56.42 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.159 -0.473 . . . . 10.0 111.492 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 120' ' ' LEU . . . . . 0.457 HD12 ' HB3' ' B' ' 117' ' ' LYS . 17.7 mt -79.82 142.09 56.2 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.418 -0.355 . . . . 10.0 110.104 178.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -74.94 141.29 26.63 Favored 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 122.535 2.157 . . . . 10.0 112.359 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 16.5 m 58.32 78.42 0.25 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.522 -0.763 . . . . 10.0 112.536 179.223 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 12.6 ptp180 -87.2 137.83 32.01 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.451 -0.341 . . . . 10.0 110.249 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 10.5 m -75.15 -53.48 8.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.653 0.263 . . . . 10.0 110.467 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 60.9 t -81.52 103.21 8.28 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 N-CA-C 109.726 -0.472 . . . . 10.0 109.726 179.168 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -75.18 164.2 26.73 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.827 -0.624 . . . . 10.0 110.479 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 127' ' ' THR . . . . . 0.576 HG22 ' HE2' ' B' ' 141' ' ' PHE . 0.0 OUTLIER -65.06 -39.62 93.53 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 112.355 0.502 . . . . 10.0 112.355 -179.141 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 39.6 pttt -52.24 -48.64 65.07 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 113.732 1.012 . . . . 10.0 113.732 -178.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.56 -42.36 95.73 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.06 0.393 . . . . 10.0 112.06 -179.301 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -71.15 -36.87 72.22 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.223 -0.444 . . . . 10.0 111.09 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 131' ' ' GLN . . . . . 0.461 ' HB3' ' NH1' ' C' ' 161' ' ' ARG . 94.9 mt-30 -66.36 -47.88 71.98 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.307 -0.406 . . . . 10.0 111.154 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -64.36 -35.66 81.59 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.786 0.327 . . . . 10.0 110.759 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 18.6 tp -65.7 -42.07 91.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.161 0.505 . . . . 10.0 110.263 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.83 -31.15 71.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.773 -0.649 . . . . 10.0 110.58 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -60.77 -42.42 97.45 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.682 -0.69 . . . . 10.0 110.685 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 17.0 m -67.91 -28.8 67.81 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.061 0.458 . . . . 10.0 111.903 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -85.64 -24.16 27.2 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.413 -0.358 . . . . 10.0 111.249 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 84.68 34.6 15.5 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.965 -0.636 . . . . 10.0 111.582 -179.091 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 47.1 pt -128.53 158.05 73.0 Favored Pre-proline 0 C--N 1.327 -0.389 0 N-CA-C 110.182 -0.303 . . . . 10.0 110.182 -179.556 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -87.55 157.95 7.85 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.525 2.15 . . . . 10.0 112.122 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 141' ' ' PHE . . . . . 0.576 ' HE2' HG22 ' B' ' 127' ' ' THR . 45.2 t80 -133.86 114.13 12.99 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.957 -0.565 . . . . 10.0 109.795 179.455 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 40.2 mt -117.53 130.42 72.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.506 -0.316 . . . . 10.0 110.399 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -65.01 136.18 56.48 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 108.896 -0.779 . . . . 10.0 108.896 178.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 144' ' ' THR . . . . . 0.575 ' O ' ' HA ' ' B' ' 116' ' ' ASN . 26.0 m -130.23 147.19 51.93 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.366 0.603 . . . . 10.0 112.476 -177.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 40.0 t -143.63 102.64 3.96 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.897 -0.779 . . . . 10.0 108.897 177.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 146' ' ' ALA . . . . . 0.413 ' HB1' ' HG3' ' B' ' 22' ' ' GLN . . . -68.66 -32.39 72.18 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.069 0.461 . . . . 10.0 110.205 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 31.1 tttp -54.71 -41.75 70.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.463 -0.79 . . . . 10.0 111.916 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.82 11.7 24.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.421 . . . . 10.0 111.817 -179.241 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 50.5 60.28 3.96 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.389 0.614 . . . . 10.0 111.476 -179.463 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -130.61 119.76 22.98 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.82 -0.627 . . . . 10.0 111.375 -178.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 80.77 -4.8 67.76 Favored Glycine 0 C--O 1.229 -0.188 0 C-N-CA 121.195 -0.526 . . . . 10.0 113.214 178.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 31.6 t -63.59 -55.95 19.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.064 0.459 . . . . 10.0 110.822 -179.416 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -63.34 -39.59 94.96 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.748 -0.66 . . . . 10.0 111.673 -179.331 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -57.99 -52.14 66.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.152 -179.331 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.23 -43.91 95.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 10.0 111.702 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -61.2 -42.96 99.51 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.121 -0.491 . . . . 10.0 111.344 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 21.8 m-30 -67.82 -42.54 81.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.344 -0.389 . . . . 10.0 110.264 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 158' ' ' THR . . . . . 0.441 ' O ' ' HG2' ' B' ' 162' ' ' GLU . 94.2 m -60.4 -39.84 88.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.092 -0.504 . . . . 10.0 111.167 179.739 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 159' ' ' LEU . . . . . 0.436 HD22 HD13 ' B' ' 79' ' ' LEU . 20.9 tp -57.13 -46.49 82.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.096 0.474 . . . . 10.0 111.09 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 53.6 t -74.05 -34.77 39.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.258 0.551 . . . . 10.0 110.409 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 161' ' ' ARG . . . . . 0.474 ' HD3' ' OD2' ' B' ' 47' ' ' ASP . 10.3 ttp180 -62.05 -41.73 98.45 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.637 -0.71 . . . . 10.0 111.293 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 162' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' B' ' 158' ' ' THR . 35.9 mm-40 -61.4 -35.82 78.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.783 0.325 . . . . 10.0 110.924 179.293 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 66.2 mt -66.58 -41.53 88.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 109.707 -0.479 . . . . 10.0 109.707 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 38.0 ttm105 -70.27 -32.56 70.44 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.077 -0.511 . . . . 10.0 110.082 179.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 165' ' ' LYS . . . . . 0.484 ' O ' ' HG2' ' B' ' 169' ' ' LYS . 35.1 ttmt -63.22 -42.97 99.34 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.895 -0.593 . . . . 10.0 109.949 179.143 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -59.07 -37.44 77.06 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.052 -0.522 . . . . 10.0 111.05 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 76.2 mttt -62.34 -48.23 80.73 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.967 0.413 . . . . 10.0 110.406 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -64.48 -42.28 95.97 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.671 -0.695 . . . . 10.0 111.149 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 169' ' ' LYS . . . . . 0.484 ' HG2' ' O ' ' B' ' 165' ' ' LYS . 28.4 mmmt -69.18 -29.23 67.18 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.622 -179.324 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 67.0 mmm -74.36 -9.09 58.25 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.797 0.332 . . . . 10.0 111.87 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 11.1 m -87.04 -29.04 22.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.366 0.603 . . . . 10.0 110.366 179.041 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -96.47 -33.18 11.96 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.697 -0.683 . . . . 10.0 109.761 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 173' ' ' ASP . . . . . 0.579 ' CG ' ' H ' ' B' ' 174' ' ' GLY 0.337 2.6 p-10 41.39 -110.72 0.13 Allowed 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 114.908 1.448 . . . . 10.0 114.908 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 174' ' ' GLY . . . . . 0.579 ' H ' ' CG ' ' B' ' 173' ' ' ASP . . . -153.15 -48.87 0.02 OUTLIER Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.765 -0.731 . . . . 10.0 112.203 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 175' ' ' LYS . . . . . 0.499 ' HG3' ' O ' ' B' ' 174' ' ' GLY . 7.1 mttp -161.35 170.87 19.28 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.51 -0.181 . . . . 10.0 110.51 -178.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 176' ' ' LYS . . . . . 0.586 ' HA ' ' H32' ' B' ' 203' ' ' PCW . 3.4 tmtm? 72.54 -47.78 0.67 Allowed 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 112.573 0.583 . . . . 10.0 112.573 179.357 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 177' ' ' LYS . . . . . 0.501 ' HB2' ' OD2' ' B' ' 173' ' ' ASP . 36.5 mtmm -90.16 -92.04 0.13 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 119.506 -0.283 . . . . 10.0 110.933 179.612 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? 59.25 106.94 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.261 0 O-C-N 123.78 0.675 . . . . 10.0 111.949 -179.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 179' ' ' LYS . . . . . 0.524 ' HA ' ' HE3' ' B' ' 179' ' ' LYS . 0.0 OUTLIER -71.21 75.08 0.7 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.48 0.657 . . . . 10.0 112.415 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 43.4 mmtt -146.12 105.48 3.93 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.35 -0.841 . . . . 10.0 108.852 178.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -129.35 88.77 2.74 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.382 -0.372 . . . . 10.0 110.261 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 182' ' ' LYS . . . . . 0.429 ' HA ' ' HD2' ' B' ' 182' ' ' LYS . 19.3 tptt -114.9 116.42 28.51 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.587 -0.279 . . . . 10.0 111.006 -179.618 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.46 -57.64 4.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.237 0.541 . . . . 10.0 110.003 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 184' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt . . . . . 0 C--N 1.325 -0.486 0 CA-C-N 115.582 -0.735 . . . . 10.0 110.456 179.818 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 121.059 0.457 . . . . 10.0 110.973 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 2' ' ' THR . . . . . 0.502 ' HB ' ' CE2' ' C' ' 4' ' ' TYR . 0.0 OUTLIER -77.23 130.12 36.82 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.674 -179.563 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -97.67 134.97 40.14 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.354 -0.385 . . . . 10.0 110.201 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 4' ' ' TYR . . . . . 0.502 ' CE2' ' HB ' ' C' ' 2' ' ' THR . 95.8 m-85 -126.18 117.67 23.6 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.287 -0.415 . . . . 10.0 109.949 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 5' ' ' LYS . . . . . 0.567 ' HA ' ' HB3' ' C' ' 54' ' ' ASP . 51.5 mttm -82.41 114.56 20.94 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.067 -0.515 . . . . 10.0 111.323 -179.358 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 6' ' ' LEU . . . . . 0.634 HD22 ' HG ' ' C' ' 159' ' ' LEU . 11.5 mt -110.71 117.24 32.94 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.595 -0.729 . . . . 10.0 110.758 -178.586 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 7' ' ' VAL . . . . . 0.412 HG12 HG13 ' C' ' 9' ' ' VAL . 48.0 t -102.54 117.67 48.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 120.743 0.306 . . . . 10.0 110.884 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.601 HG12 ' HD2' ' C' ' 16' ' ' LYS . 24.6 t -87.61 111.67 22.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 109.507 -0.553 . . . . 10.0 109.507 179.576 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 9' ' ' VAL . . . . . 0.412 HG13 HG12 ' C' ' 7' ' ' VAL . 11.7 m -119.54 154.98 22.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.433 -0.349 . . . . 10.0 111.137 -179.202 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 154.72 -176.2 32.55 Favored Glycine 0 N--CA 1.443 -0.873 0 N-CA-C 110.889 -0.884 . . . . 10.0 110.889 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.1 -173.3 1.25 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.029 0.442 . . . . 10.0 111.753 -179.248 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -97.62 143.86 27.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 13' ' ' GLY . . . . . 0.947 ' HA2' H5'1 ' C' ' 201' ' ' GSP . . . 68.57 26.22 74.52 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.864 -0.684 . . . . 10.0 112.678 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 26.8 m -99.41 -12.19 8.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 111.983 0.364 . . . . 10.0 111.983 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 15' ' ' GLY . . . . . 0.672 ' HA2' ' H8 ' ' C' ' 201' ' ' GSP . . . 105.33 23.38 7.66 Favored Glycine 0 CA--C 1.516 0.097 0 C-N-CA 120.825 -0.702 . . . . 10.0 113.246 179.509 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 16' ' ' LYS . . . . . 0.601 ' HD2' HG12 ' C' ' 8' ' ' VAL . 12.4 mtmm -62.0 -42.5 99.22 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.981 0.42 . . . . 10.0 111.937 -179.535 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 17' ' ' SER . . . . . 0.457 ' OG ' ' O3G' ' C' ' 201' ' ' GSP . 46.1 m -85.45 -34.91 21.55 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.323 -0.399 . . . . 10.0 111.29 -178.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.82 -43.72 90.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.015 0.436 . . . . 10.0 110.252 179.289 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 19' ' ' LEU . . . . . 0.531 HD23 HG13 ' C' ' 152' ' ' VAL . 0.9 OUTLIER -61.3 -49.62 76.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.78 -0.646 . . . . 10.0 110.535 179.337 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 4.5 m -64.06 -45.93 86.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.859 -0.61 . . . . 10.0 112.368 -179.396 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 97.4 mt -62.76 -37.72 79.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 CA-C-O 120.786 0.327 . . . . 10.0 110.996 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 22' ' ' GLN . . . . . 0.576 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 8.2 mm-40 -65.34 -16.7 63.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.903 0.382 . . . . 10.0 110.703 179.124 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.411 ' HA ' HH21 ' C' ' 149' ' ' ARG . 2.6 tp -98.7 -42.97 6.99 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.954 0.407 . . . . 10.0 110.931 179.746 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 24' ' ' ILE . . . . . 0.483 HD11 HD12 ' C' ' 55' ' ' ILE . 50.8 mm -74.07 -58.94 3.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.842 -0.617 . . . . 10.0 112.092 -179.001 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -95.88 -17.67 20.92 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.646 0.26 . . . . 10.0 111.558 -179.413 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 26' ' ' ASN . . . . . 0.576 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 3.5 t-20 67.99 49.2 0.91 Allowed 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 113.496 0.924 . . . . 10.0 113.496 177.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 9.1 p80 -153.17 151.76 30.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.488 -0.324 . . . . 10.0 110.345 178.221 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -92.5 131.4 37.67 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.384 0.611 . . . . 10.0 111.806 -179.352 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 21.3 t -97.13 114.79 35.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.607 -0.724 . . . . 10.0 109.074 178.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -72.35 -33.29 67.17 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.338 -0.392 . . . . 10.0 110.603 -179.291 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -79.45 161.22 26.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 10.0 111.367 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 32' ' ' TYR . . . . . 0.824 ' CD1' H5'2 ' C' ' 201' ' ' GSP . 33.0 t80 -106.0 120.36 41.56 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.344 -0.389 . . . . 10.0 110.312 179.496 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 33' ' ' ASP . . . . . 0.429 ' OD2' HG23 ' C' ' 35' ' ' THR . 24.3 t70 -114.12 111.75 47.41 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 116.467 -0.333 . . . . 10.0 111.271 179.523 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -72.74 78.06 2.15 Favored 'Trans proline' 0 N--CA 1.461 -0.398 0 C-N-CA 122.828 2.352 . . . . 10.0 111.005 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 35' ' ' THR . . . . . 0.429 HG23 ' OD2' ' C' ' 33' ' ' ASP . 0.0 OUTLIER -71.34 121.9 19.34 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.673 -0.694 . . . . 10.0 111.288 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 43.5 mm -71.31 -46.56 64.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 O-C-N 123.7 0.625 . . . . 10.0 110.007 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -166.83 101.67 0.56 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.329 -0.851 . . . . 10.0 109.295 -179.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -119.34 115.33 23.9 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.842 0.353 . . . . 10.0 111.597 -178.808 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.25 145.37 24.72 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.269 179.673 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -138.03 140.41 40.09 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.41 -0.359 . . . . 10.0 110.28 179.699 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 41' ' ' ARG . . . . . 0.487 ' HA ' ' O ' ' C' ' 53' ' ' LEU . 0.9 OUTLIER -118.05 136.61 53.44 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.871 -179.849 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 42' ' ' LYS . . . . . 0.502 ' HB3' HD12 ' C' ' 53' ' ' LEU . 40.0 tttp -151.52 125.41 9.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.342 -0.39 . . . . 10.0 110.532 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -98.4 115.35 28.3 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.517 -0.549 . . . . 10.0 109.517 179.321 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 2.0 m -135.5 164.44 32.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.95 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 68.9 t -103.47 104.25 16.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 109.473 -0.566 . . . . 10.0 109.473 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 34.4 mt -112.8 131.31 64.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.719 -0.673 . . . . 10.0 109.513 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 61.97 20.31 11.44 Favored 'General case' 0 C--N 1.328 -0.33 0 O-C-N 123.675 0.61 . . . . 10.0 110.279 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.84 7.63 85.45 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.935 -0.65 . . . . 10.0 111.99 -178.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -115.2 127.1 55.3 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.782 0.325 . . . . 10.0 110.625 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -68.88 114.5 7.25 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.705 -0.85 . . . . 10.0 108.705 178.359 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 18.2 m -121.56 148.19 44.83 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.056 0.455 . . . . 10.0 111.866 -178.152 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 65.4 tp -107.67 120.52 42.46 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 108.564 -0.902 . . . . 10.0 108.564 178.414 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 53' ' ' LEU . . . . . 0.502 HD12 ' HB3' ' C' ' 42' ' ' LYS . 22.0 mt -88.19 120.6 29.7 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 112.484 0.55 . . . . 10.0 112.484 -178.654 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 54' ' ' ASP . . . . . 0.567 ' HB3' ' HA ' ' C' ' 5' ' ' LYS . 28.4 t70 -106.65 74.65 1.02 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 106.918 -1.512 . . . . 10.0 106.918 177.141 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 55' ' ' ILE . . . . . 0.483 HD12 HD11 ' C' ' 24' ' ' ILE . 8.5 mt -79.4 143.55 12.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.397 -0.82 . . . . 10.0 112.394 -177.258 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 24.9 tp -133.14 107.59 8.29 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.596 -0.729 . . . . 10.0 110.697 179.15 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -86.86 116.75 25.14 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.275 -0.639 . . . . 10.0 109.275 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 70.6 p -105.8 174.18 5.99 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.02 0.378 . . . . 10.0 112.02 -178.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -94.8 140.06 30.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.413 -0.358 . . . . 10.0 110.118 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -111.48 36.54 4.14 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.577 -0.82 . . . . 10.0 112.376 -179.387 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -103.27 22.49 14.04 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.981 0.42 . . . . 10.0 110.814 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 62' ' ' GLU . . . . . 0.484 ' HB3' ' H ' ' C' ' 63' ' ' GLU . 34.7 mm-40 59.62 -154.82 0.36 Allowed 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.373 -0.83 . . . . 10.0 111.755 -179.539 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 63' ' ' GLU . . . . . 0.484 ' H ' ' HB3' ' C' ' 62' ' ' GLU . 0.7 OUTLIER 73.7 -46.77 0.64 Allowed 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.29 0.636 . . . . 10.0 112.069 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 64' ' ' TYR . . . . . 0.764 ' HB3' ' HB3' ' C' ' 67' ' ' MET . 51.6 m-85 -76.19 65.79 2.22 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.253 0.464 . . . . 10.0 112.253 -179.05 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.87 -40.87 62.92 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 121.037 0.446 . . . . 10.0 110.218 179.108 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -77.46 -40.24 43.89 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.92 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 67' ' ' MET . . . . . 0.764 ' HB3' ' HB3' ' C' ' 64' ' ' TYR . 19.1 ttt -63.61 -38.32 90.67 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.325 0.584 . . . . 10.0 110.087 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 68' ' ' ARG . . . . . 0.612 ' HA ' ' CZ ' ' C' ' 71' ' ' TYR . 22.8 ttp180 -62.36 -34.93 77.62 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.862 -0.608 . . . . 10.0 110.52 179.695 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 69' ' ' ASP . . . . . 0.42 ' OD1' HG22 ' C' ' 103' ' ' VAL . 8.6 t70 -70.41 -23.84 62.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.514 -0.766 . . . . 10.0 111.154 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -81.12 -56.32 4.17 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.652 0.612 . . . . 10.0 112.652 -179.125 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 71' ' ' TYR . . . . . 0.612 ' CZ ' ' HA ' ' C' ' 68' ' ' ARG . 5.2 p90 -66.48 -23.54 66.28 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 113.033 0.753 . . . . 10.0 113.033 -178.746 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 72' ' ' MET . . . . . 0.476 ' HA ' ' HE1' ' C' ' 78' ' ' PHE . 41.7 mtt -78.32 -8.56 58.55 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.409 0.623 . . . . 10.0 110.671 178.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 16.4 ttm180 -86.61 -49.64 7.38 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.095 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -75.57 -32.06 60.25 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.248 0.462 . . . . 10.0 112.248 -179.293 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.39 144.37 47.34 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 121.091 -0.576 . . . . 10.0 113.188 -179.138 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -101.13 -62.49 1.24 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.901 0.382 . . . . 10.0 110.147 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -97.4 129.48 9.91 Favored Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 111.105 -0.798 . . . . 10.0 111.105 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 78' ' ' PHE . . . . . 0.476 ' HE1' ' HA ' ' C' ' 72' ' ' MET . 93.4 m-85 -107.62 126.48 52.62 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.008 0.432 . . . . 10.0 111.522 -179.091 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 79' ' ' LEU . . . . . 0.749 HD13 HD22 ' C' ' 159' ' ' LEU . 14.5 tp -97.88 104.54 16.58 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.587 -0.733 . . . . 10.0 109.644 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 80' ' ' CYS . . . . . 0.47 ' HB3' HD12 ' C' ' 93' ' ' ILE . 1.7 m -84.49 88.53 7.31 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.366 -0.379 . . . . 10.0 110.108 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 57.2 t -92.67 116.57 34.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.046 0.45 . . . . 10.0 110.925 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 82' ' ' PHE . . . . . 0.858 ' HB2' ' HB2' ' C' ' 89' ' ' SER . 7.2 p90 -132.22 145.55 51.4 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.008 -0.542 . . . . 10.0 110.63 179.148 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 83' ' ' ALA . . . . . 0.607 ' HB1' ' OD1' ' C' ' 85' ' ' ASN . . . -83.56 125.31 31.66 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.52 -0.548 . . . . 10.0 109.52 179.598 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 84' ' ' ILE . . . . . 0.805 HD11 ' HA ' ' C' ' 118' ' ' CYS . 8.9 pt -70.15 -12.41 16.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 112.087 0.403 . . . . 10.0 112.087 -179.227 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 85' ' ' ASN . . . . . 0.607 ' OD1' ' HB1' ' C' ' 83' ' ' ALA . 18.6 p-10 -91.96 -5.65 52.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.053 -0.522 . . . . 10.0 110.613 179.205 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -123.3 112.65 17.87 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.075 0.465 . . . . 10.0 110.066 179.477 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.3 -31.31 72.43 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.787 -0.642 . . . . 10.0 112.136 -179.135 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 23.0 tptp -61.05 -39.35 89.49 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.23 0.456 . . . . 10.0 112.23 -179.096 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 89' ' ' SER . . . . . 0.858 ' HB2' ' HB2' ' C' ' 82' ' ' PHE . 0.0 OUTLIER -62.93 -36.83 84.7 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.675 0.274 . . . . 10.0 111.253 179.867 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 90' ' ' PHE . . . . . 0.555 ' HB2' HG21 ' C' ' 125' ' ' VAL . 67.2 t80 -66.47 -39.78 88.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.466 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -67.88 -42.2 81.62 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.396 179.459 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -63.02 -24.03 67.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.596 -0.729 . . . . 10.0 112.477 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 93' ' ' ILE . . . . . 0.612 HD11 ' HB3' ' C' ' 82' ' ' PHE . 23.5 mm -57.71 -45.63 86.79 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-O 120.917 0.389 . . . . 10.0 110.653 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 65.9 t60 -65.83 -47.93 73.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.181 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -57.57 -41.44 81.09 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.819 -0.628 . . . . 10.0 111.229 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 9.9 m-30 -70.2 -37.26 75.06 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.642 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 97' ' ' ARG . . . . . 0.449 ' HG3' ' SD ' ' C' ' 111' ' ' MET . 28.0 ttt-85 -65.72 -41.0 92.79 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 120.957 0.408 . . . . 10.0 110.474 179.223 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -59.42 -39.12 82.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.568 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 99' ' ' GLN . . . . . 0.525 ' O ' HG23 ' C' ' 103' ' ' VAL . 5.3 tt0 -66.4 -45.33 80.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.107 179.095 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 95.7 mt -55.57 -47.75 78.36 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.599 179.384 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 101' ' ' LYS . . . . . 0.414 ' HD2' ' HA ' ' C' ' 107' ' ' GLU . 10.9 mtmt -60.85 -35.45 76.61 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.658 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 5.8 tmm_? -71.43 -46.28 60.49 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.894 -0.593 . . . . 10.0 110.935 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 103' ' ' VAL . . . . . 0.525 HG23 ' O ' ' C' ' 99' ' ' GLN . 99.4 t -61.63 -49.66 83.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.048 -0.523 . . . . 10.0 111.497 -179.111 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 17.1 mtpp -87.18 -6.47 58.61 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.638 0.607 . . . . 10.0 112.638 -178.113 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 22.7 t0 52.24 45.48 28.34 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.228 0.611 . . . . 10.0 111.932 -179.341 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 67.2 m -150.59 145.75 26.11 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.258 -0.883 . . . . 10.0 109.816 179.575 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 107' ' ' GLU . . . . . 0.414 ' HA ' ' HD2' ' C' ' 101' ' ' LYS . 17.9 tp10 -86.01 -43.25 13.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.117 0.484 . . . . 10.0 110.068 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -78.7 97.91 6.04 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.472 -0.785 . . . . 10.0 110.758 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 109' ' ' VAL . . . . . 0.439 ' HA ' ' HD3' ' C' ' 110' ' ' PRO . 72.1 t -129.24 130.55 23.37 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 115.899 -0.591 . . . . 10.0 110.502 -179.763 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 110' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' C' ' 109' ' ' VAL . 26.6 Cg_exo -63.05 107.06 0.59 Allowed 'Trans proline' 0 C--O 1.236 0.379 0 C-N-CA 122.815 2.343 . . . . 10.0 111.432 179.357 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 111' ' ' MET . . . . . 0.449 ' SD ' ' HG3' ' C' ' 97' ' ' ARG . 6.3 mtm -132.99 151.3 52.09 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.576 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 112' ' ' VAL . . . . . 0.507 HG21 ' HA ' ' C' ' 159' ' ' LEU . 46.3 t -128.67 115.53 37.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.069 -0.514 . . . . 10.0 109.739 179.556 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 18.9 tp -82.56 112.29 19.33 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.578 -0.527 . . . . 10.0 109.578 179.491 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 114' ' ' VAL . . . . . 0.423 HG23 HG12 ' C' ' 112' ' ' VAL . 59.9 t -115.37 124.2 71.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 116.031 -0.531 . . . . 10.0 111.705 -178.784 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -99.58 113.47 4.73 Favored Glycine 0 N--CA 1.441 -0.985 0 N-CA-C 109.669 -1.373 . . . . 10.0 109.669 178.343 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 116' ' ' ASN . . . . . 0.543 ' ND2' ' HA3' ' C' ' 15' ' ' GLY . 65.3 t30 -98.71 164.63 12.15 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 117.17 0.485 . . . . 10.0 111.153 -178.771 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 117' ' ' LYS . . . . . 0.504 ' HE2' ' C4 ' ' C' ' 201' ' ' GSP . 99.6 mttt 66.45 32.43 7.48 Favored 'General case' 0 C--O 1.233 0.227 0 O-C-N 123.757 0.66 . . . . 10.0 111.426 179.74 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 118' ' ' CYS . . . . . 0.805 ' HA ' HD11 ' C' ' 84' ' ' ILE . 67.8 m -73.33 -21.52 60.53 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.747 0.647 . . . . 10.0 112.747 -179.444 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 119' ' ' ASP . . . . . 0.418 ' OD2' ' HD2' ' C' ' 147' ' ' LYS . 1.5 p-10 -84.11 -3.77 58.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.791 0.329 . . . . 10.0 111.666 -179.274 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 120' ' ' LEU . . . . . 0.583 HD21 HN21 ' C' ' 201' ' ' GSP . 29.8 mt -80.34 146.89 63.05 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 116.565 -0.289 . . . . 10.0 110.269 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -70.3 132.78 23.16 Favored 'Trans proline' 0 C--O 1.237 0.454 0 C-N-CA 122.528 2.152 . . . . 10.0 112.629 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 5.1 m 71.92 112.07 0.06 Allowed 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 113.229 0.826 . . . . 10.0 113.229 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 11.0 ptp180 -113.65 138.2 50.53 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.663 -0.699 . . . . 10.0 110.236 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 3.4 p -83.55 -41.9 17.41 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.082 0.468 . . . . 10.0 110.186 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 125' ' ' VAL . . . . . 0.555 HG21 ' HB2' ' C' ' 90' ' ' PHE . 50.4 t -95.22 106.57 18.39 Favored 'Isoleucine or valine' 0 C--O 1.238 0.469 0 N-CA-C 108.725 -0.842 . . . . 10.0 108.725 178.483 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 126' ' ' ASP . . . . . 0.476 ' HB3' ' HG2' ' C' ' 129' ' ' GLN . 14.3 t70 -64.92 147.2 53.81 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.793 -0.639 . . . . 10.0 110.045 179.652 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.25 -39.24 69.52 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.244 -0.435 . . . . 10.0 111.265 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 128' ' ' LYS . . . . . 0.44 ' HB3' ' HA ' ' B' ' 47' ' ' ASP . 36.6 mtmm -64.6 -44.28 91.09 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.383 0.512 . . . . 10.0 112.383 -178.742 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 129' ' ' GLN . . . . . 0.476 ' HG2' ' HB3' ' C' ' 126' ' ' ASP . 1.7 pt20 -74.83 -26.93 60.05 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.732 0.301 . . . . 10.0 111.706 -179.359 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 130' ' ' ALA . . . . . 0.495 ' HB2' HG12 ' C' ' 125' ' ' VAL . . . -75.27 -41.33 57.5 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.387 0.613 . . . . 10.0 109.822 179.34 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -74.24 -31.69 62.69 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.728 -0.669 . . . . 10.0 111.328 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 132' ' ' ASP . . . . . 0.488 ' O ' ' HB3' ' C' ' 135' ' ' ARG . 11.1 t70 -59.81 -38.34 81.71 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.151 0.5 . . . . 10.0 110.712 179.01 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 28.4 tp -63.3 -38.83 92.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.793 -0.64 . . . . 10.0 110.334 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 134' ' ' ALA . . . . . 0.473 ' HB1' ' O ' ' C' ' 139' ' ' ILE . . . -68.9 -22.91 64.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.569 -0.741 . . . . 10.0 110.996 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 135' ' ' ARG . . . . . 0.488 ' HB3' ' O ' ' C' ' 132' ' ' ASP . 3.7 tmm_? -62.96 -46.88 85.67 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.064 -0.516 . . . . 10.0 111.166 179.513 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 71.7 m -72.53 -25.83 61.53 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.233 -0.44 . . . . 10.0 111.306 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 12.6 m-30 -78.27 -45.65 22.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.998 0.427 . . . . 10.0 110.853 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 100.95 27.32 7.47 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.775 -0.726 . . . . 10.0 112.142 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 139' ' ' ILE . . . . . 0.473 ' O ' ' HB1' ' C' ' 134' ' ' ALA . 28.6 pt -125.77 148.91 63.96 Favored Pre-proline 0 C--N 1.328 -0.345 0 N-CA-C 110.31 -0.256 . . . . 10.0 110.31 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 140' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' C' ' 139' ' ' ILE . 6.4 Cg_exo -75.68 147.17 31.12 Favored 'Trans proline' 0 CA--C 1.534 0.52 0 C-N-CA 123.049 2.5 . . . . 10.0 112.318 179.667 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 141' ' ' PHE . . . . . 0.464 ' HE1' ' HE2' ' C' ' 82' ' ' PHE . 69.8 t80 -112.82 137.91 50.45 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.658 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 142' ' ' ILE . . . . . 0.435 ' CD1' ' HA ' ' C' ' 155' ' ' ALA . 22.2 mt -131.68 133.05 61.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.461 -0.336 . . . . 10.0 110.754 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -88.23 140.18 29.74 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.889 -0.782 . . . . 10.0 108.889 177.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 38.9 p -139.19 174.93 10.0 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.529 0.68 . . . . 10.0 112.358 -178.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 8.2 t -159.15 121.57 3.54 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.906 -1.043 . . . . 10.0 108.837 178.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 146' ' ' ALA . . . . . 0.401 ' HB3' ' C5 ' ' C' ' 201' ' ' GSP . . . -79.02 -25.67 43.25 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 109.679 -0.489 . . . . 10.0 109.679 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 147' ' ' LYS . . . . . 0.583 ' HE3' HN21 ' C' ' 201' ' ' GSP . 36.5 ttmt -70.76 -48.37 54.73 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.506 -0.77 . . . . 10.0 111.679 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 37.7 p -95.26 -5.23 44.16 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 113.156 0.798 . . . . 10.0 113.156 -178.546 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 149' ' ' ARG . . . . . 0.435 ' HG2' ' CD ' ' C' ' 22' ' ' GLN . 0.0 OUTLIER 61.66 54.18 3.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.026 0.441 . . . . 10.0 111.377 -179.715 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -120.73 140.41 51.69 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.317 -0.401 . . . . 10.0 110.892 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 80.42 -18.91 7.61 Favored Glycine 0 C--O 1.228 -0.268 0 N-CA-C 114.827 0.691 . . . . 10.0 114.827 178.045 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 152' ' ' VAL . . . . . 0.531 HG13 HD23 ' C' ' 19' ' ' LEU . 97.4 t -55.03 -47.65 76.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 117.353 0.576 . . . . 10.0 112.38 -179.012 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.08 -51.37 69.44 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.857 -179.522 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -60.91 -45.2 95.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.972 -0.558 . . . . 10.0 112.399 -179.528 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 155' ' ' ALA . . . . . 0.435 ' HA ' ' CD1' ' C' ' 142' ' ' ILE . . . -57.37 -53.09 62.05 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.216 -0.447 . . . . 10.0 112.111 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -66.3 -36.93 84.21 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.125 0.416 . . . . 10.0 112.125 -179.374 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -67.76 -42.63 81.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.808 0.337 . . . . 10.0 110.984 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 75.1 m -68.45 -31.84 71.42 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.338 -0.392 . . . . 10.0 111.452 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 159' ' ' LEU . . . . . 0.749 HD22 HD13 ' C' ' 79' ' ' LEU . 53.7 tp -59.78 -42.69 93.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.917 0.389 . . . . 10.0 110.393 179.149 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 90.8 t -70.24 -37.36 71.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.91 -0.586 . . . . 10.0 109.799 179.019 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 161' ' ' ARG . . . . . 0.461 ' NH1' ' HB3' ' B' ' 131' ' ' GLN . 6.4 ttp-105 -61.11 -37.67 83.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.517 -0.765 . . . . 10.0 110.599 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -63.3 -35.95 82.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.95 179.229 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 54.9 mt -68.01 -40.22 82.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 109.413 -0.588 . . . . 10.0 109.413 178.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 31.3 mtp180 -63.97 -39.77 94.89 Favored 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 108.906 -0.776 . . . . 10.0 108.906 178.474 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -61.99 -40.92 97.28 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.043 -0.98 . . . . 10.0 109.823 178.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 166' ' ' HIS . . . . . 0.407 ' HB2' ' HG3' ' C' ' 110' ' ' PRO . 44.5 t-80 -62.48 -45.79 91.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.296 -0.411 . . . . 10.0 110.467 179.468 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -57.9 -47.25 83.36 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.273 179.318 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -65.02 -50.8 64.86 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.823 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 2.3 ttpt -56.67 -43.94 80.91 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.536 -0.756 . . . . 10.0 112.218 -179.44 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 84.6 mmm -72.13 -20.61 61.59 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.764 0.653 . . . . 10.0 112.764 -179.076 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 69.3 m -79.59 -15.7 57.19 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.196 0.522 . . . . 10.0 110.307 178.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 22.4 mtpt -114.58 -1.86 13.27 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.619 -0.718 . . . . 10.0 109.645 179.571 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 173' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 70.82 -63.37 0.42 Allowed 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.454 -0.794 . . . . 10.0 111.312 -178.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . -165.54 -107.69 0.2 Allowed Glycine 0 N--CA 1.443 -0.884 0 N-CA-C 109.926 -1.269 . . . . 10.0 109.926 179.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 175' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -126.32 80.05 1.89 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.397 0.618 . . . . 10.0 110.736 178.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 176' ' ' LYS . . . . . 0.523 ' HG2' ' O4 ' ' C' ' 215' ' ' 17F . 47.9 mtmt -89.04 7.49 34.6 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.812 -0.631 . . . . 10.0 111.123 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 177' ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -85.24 106.06 16.38 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.014 -0.539 . . . . 10.0 110.675 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 178' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt -97.24 -16.25 20.45 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.972 179.521 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 179' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 72.67 106.07 0.07 Allowed 'General case' 0 N--CA 1.465 0.281 0 O-C-N 123.815 0.697 . . . . 10.0 112.152 179.636 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 180' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.63 -26.66 16.98 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.728 179.142 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 1.3 m -101.25 128.68 47.27 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.4 -0.364 . . . . 10.0 110.81 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 182' ' ' LYS . . . . . 0.734 ' HD3' ' O2P' ' C' ' 203' ' ' PCW . 0.5 OUTLIER -65.2 102.21 0.62 Allowed 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.812 -0.44 . . . . 10.0 109.812 179.704 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -109.28 -16.79 13.97 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.181 -0.463 . . . . 10.0 111.978 -179.176 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 184' ' ' LYS . . . . . 0.503 ' HE3' ' HB3' ' B' ' 101' ' ' LYS . 46.8 mttp . . . . . 0 C--N 1.321 -0.631 0 CA-C-N 116.417 -0.356 . . . . 10.0 111.047 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 401' ' ' PCW . . . . . 1.055 H182 H221 ' A' ' 401' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 402' ' ' PCW . . . . . 0.817 H342 H141 ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 403' ' ' PCW . . . . . 1.071 ' H31' ' H41' ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 404' ' ' PCW . . . . . 1.046 H411 ' H40' ' A' ' 415' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 405' ' ' PCW . . . . . 0.9 H242 H262 ' A' ' 418' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 406' ' ' PCW . . . . . 1.017 ' H11' H332 ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 407' ' ' PCW . . . . . 1.043 H321 H372 ' A' ' 410' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 408' ' ' PCW . . . . . 0.965 ' C4 ' ' H32' ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 409' ' ' PCW . . . . . 1.203 ' C19' H142 ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 410' ' ' PCW . . . . . 1.043 H372 H321 ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 411' ' ' PCW . . . . . 1.019 H283 H252 ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 412' ' ' PCW . . . . . 1.002 H371 ' H39' ' A' ' 410' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 413' ' ' PCW . . . . . 1.116 H341 H132 ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 414' ' ' PCW . . . . . 1.008 H372 H411 ' A' ' 414' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 415' ' ' 17F . . . . . 1.046 ' H40' H411 ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 416' ' ' 17F . . . . . 0.837 ' O5 ' ' H51' ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 417' ' ' PCW . . . . . 1.057 H451 H242 ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 418' ' ' PCW . . . . . 1.045 H422 H231 ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 419' ' ' PCW . . . . . 1.0 ' C39' H441 ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 420' ' ' PCW . . . . . 1.014 H432 H211 ' D' ' 611' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 421' ' ' PCW . . . . . 1.052 H162 ' H57' ' D' ' 630' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 422' ' ' 17F . . . . . 1.083 ' H8A' ' H65' ' C' ' 218' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 601' ' ' PCW . . . . . 1.12 ' H39' H151 ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 602' ' ' PCW . . . . . 1.12 H151 ' H39' ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 603' ' ' PCW . . . . . 1.024 H412 H371 ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 604' ' ' PCW . . . . . 1.026 H451 H181 ' D' ' 606' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 605' ' ' PCW . . . . . 0.964 H172 H132 ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 606' ' ' PCW . . . . . 1.044 H422 ' H31' ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 607' ' ' PCW . . . . . 1.116 ' C1 ' H372 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 608' ' ' PCW . . . . . 1.108 H141 H171 ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 609' ' ' PCW . . . . . 1.108 H171 H141 ' D' ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 610' ' ' PCW . . . . . 0.848 ' C11' ' H18' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 611' ' ' PCW . . . . . 1.014 H211 H432 ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 612' ' ' PCW . . . . . 1.051 ' H63' H321 ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 613' ' ' PCW . . . . . 1.057 H321 H132 ' D' ' 619' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 614' ' ' PCW . . . . . 1.051 H482 H211 ' D' ' 620' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 615' ' ' PCW . . . . . 0.979 H461 H421 ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 616' ' ' PCW . . . . . 1.077 H272 ' H41' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 617' ' ' PCW . . . . . 1.106 H451 H452 ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 618' ' ' PCW . . . . . 1.057 H242 H451 ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 619' ' ' PCW . . . . . 1.084 H131 H151 ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 620' ' ' PCW . . . . . 1.051 H211 H482 ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 621' ' ' PCW . . . . . 0.716 H132 ' H18' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 622' ' ' PCW . . . . . 1.065 H141 ' H6 ' ' A' ' 422' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 623' ' ' PCW . . . . . 1.104 ' C36' H322 ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 624' ' ' PCW . . . . . 1.037 H241 ' H20' ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 625' ' ' PCW . . . . . 1.082 H261 H421 ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 626' ' ' PCW . . . . . 1.116 H372 ' C1 ' ' D' ' 607' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 627' ' ' PCW . . . . . 1.084 H151 H131 ' D' ' 619' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 628' ' ' 17F . . . . . 1.036 ' H57' H19A ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 629' ' ' 17F . . . . . 0.999 ' H52' ' H66' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 630' ' ' 17F . . . . . 1.052 ' H57' H162 ' A' ' 421' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 631' ' ' 17F . . . . . 0.869 H11A ' C7 ' ' C' ' 217' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 632' ' ' 17F . . . . . 1.077 ' H41' H272 ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 201' ' ' GSP . . . . . 0.705 ' O1B' H5'1 ' B' ' 201' ' ' GSP . . . . . . . . 0 O4'--C1' 1.439 2.051 2 O4'-C1'-N19 113.425 5.225 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 202' ' ' ' MG' . . . . . 0.608 'MG ' ' O3G' ' B' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 203' ' ' PCW . . . . . 0.941 H212 ' H19' ' B' ' 209' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 204' ' ' PCW . . . . . 0.938 H421 H232 ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 205' ' ' PCW . . . . . 1.119 H232 H262 ' C' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 206' ' ' PCW . . . . . 0.965 H341 H322 ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 207' ' ' PCW . . . . . 1.131 H132 H332 ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 208' ' ' PCW . . . . . 0.971 H121 H331 ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 209' ' ' 17F . . . . . 1.02 ' H57' H19A ' B' ' 209' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 210' ' ' 17F . . . . . 0.993 ' C12' ' H41' ' B' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 211' ' ' 17F . . . . . 1.062 ' H47' H422 ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 201' ' ' GSP . . . . . 0.947 H5'1 ' HA2' ' C' ' 13' ' ' GLY . . . . . . . . 0 O4'--C1' 1.438 1.963 3 O4'-C1'-N19 112.857 4.657 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 202' ' ' ' MG' . . . . . 0.641 'MG ' ' O3G' ' C' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 203' ' ' PCW . . . . . 1.047 H132 H171 ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 204' ' ' PCW . . . . . 1.106 H452 H451 ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 205' ' ' PCW . . . . . 0.916 H171 H231 ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 206' ' ' PCW . . . . . 1.092 H152 H221 ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 207' ' ' PCW . . . . . 1.092 H221 H152 ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 208' ' ' PCW . . . . . 1.037 H251 H221 ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 209' ' ' PCW . . . . . 1.091 ' O4P' ' H32' ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 210' ' ' PCW . . . . . 1.119 H262 H232 ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 211' ' ' PCW . . . . . 1.031 H471 H272 ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 212' ' ' PCW . . . . . 1.063 H241 ' H20' ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 213' ' ' 17F . . . . . 1.079 ' H9 ' ' H61' ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 214' ' ' 17F . . . . . 1.048 ' H60' H321 ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 215' ' ' 17F . . . . . 0.802 ' H42' H461 ' B' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 216' ' ' PCW . . . . . 1.073 H442 H341 ' C' ' 217' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 217' ' ' PCW . . . . . 1.073 H341 H442 ' C' ' 216' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 218' ' ' 17F . . . . . 1.222 H18A ' O7 ' ' C' ' 218' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 219' ' ' 17F . . . . . 1.107 ' H9 ' ' C18' ' C' ' 219' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 96.1 mt . . . . . 0 N--CA 1.461 0.116 0 CA-C-O 120.63 0.252 . . . . 10.0 110.836 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 6.6 tmtm? -58.6 -40.27 82.76 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.977 0.418 . . . . 10.0 111.659 -179.396 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 81.9 mt -71.25 -25.72 62.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.307 -0.406 . . . . 10.0 111.95 -179.156 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 72.5 mt -85.98 -40.13 16.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.908 0.385 . . . . 10.0 110.478 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -60.14 -46.72 88.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.749 -0.66 . . . . 10.0 110.327 178.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 206' ' ' ASN . . . . . 0.404 ' HA ' HD22 ' A' ' 206' ' ' ASN . 9.8 m120 -68.24 -30.88 70.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.552 -0.749 . . . . 10.0 111.127 179.631 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 9.6 t90 -65.68 -35.1 79.81 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 116.232 -0.44 . . . . 10.0 110.408 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -62.9 -40.56 97.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.382 -0.372 . . . . 10.0 110.685 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 1.4 m -64.0 -33.95 76.89 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.143 0.496 . . . . 10.0 109.809 178.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 59.3 t -72.93 -44.04 58.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 109.34 -0.615 . . . . 10.0 109.34 178.528 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 19.3 m -60.66 -44.53 96.32 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.606 -0.724 . . . . 10.0 111.176 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 2.2 p -63.54 -40.09 96.1 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.927 -0.397 . . . . 10.0 109.927 179.339 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 72.4 m -64.08 -42.0 97.1 Favored 'General case' 0 CA--C 1.529 0.156 0 N-CA-C 109.282 -0.636 . . . . 10.0 109.282 178.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 214' ' ' PHE . . . . . 0.554 ' HE1' H162 ' A' ' 405' ' ' PCW . 0.5 OUTLIER -60.48 -45.71 92.74 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.394 178.592 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 16.7 m -60.05 -51.99 67.28 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.651 -0.704 . . . . 10.0 110.467 179.512 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -59.44 -41.73 90.26 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.274 -0.421 . . . . 10.0 111.131 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 217' ' ' LEU . . . . . 0.569 ' O ' ' HG ' ' A' ' 221' ' ' LEU . 18.2 mt -65.81 -44.51 85.43 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.598 179.651 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 218' ' ' ARG . . . . . 0.454 ' HA ' HD12 ' A' ' 221' ' ' LEU . 80.1 mtt180 -64.7 -41.84 95.72 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.534 -0.303 . . . . 10.0 111.299 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -65.24 -28.97 69.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.996 0.427 . . . . 10.0 110.771 179.244 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 220' ' ' GLN . . . . . 0.453 ' O ' HG23 ' A' ' 224' ' ' VAL . 8.1 tp-100 -85.28 -23.48 28.14 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.972 -0.558 . . . . 10.0 109.912 178.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 221' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' A' ' 217' ' ' LEU . 37.3 mt -61.42 -31.41 71.34 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.352 179.19 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -57.16 -65.37 3.62 Favored Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 110.932 -0.867 . . . . 10.0 110.932 178.172 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 223' ' ' PRO . . . . . 0.48 ' O ' ' HG3' ' A' ' 227' ' ' GLU . 62.9 Cg_exo -55.47 -38.75 93.71 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.518 2.145 . . . . 10.0 111.1 177.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 224' ' ' VAL . . . . . 0.458 HG22 ' HD3' ' D' ' 550' ' ' LYS . 44.8 t -57.99 -52.88 52.75 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.152 0 CA-C-N 116.63 -0.259 . . . . 10.0 110.917 179.539 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 8.5 p -65.9 -36.58 83.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.737 0.303 . . . . 10.0 110.85 -179.594 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -62.52 -52.54 63.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.7 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 227' ' ' GLU . . . . . 0.48 ' HG3' ' O ' ' A' ' 223' ' ' PRO . 24.9 mt-10 -66.17 -39.8 90.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.797 179.674 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -63.22 -43.33 98.41 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.968 -0.56 . . . . 10.0 109.912 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -66.97 -37.62 84.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.794 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -59.97 -45.79 91.54 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.598 0.713 . . . . 10.0 109.198 178.397 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -67.43 -39.93 85.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.043 -0.981 . . . . 10.0 109.528 178.632 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 24.1 mt -60.19 -41.09 92.19 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 116.101 -0.5 . . . . 10.0 110.02 179.197 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -64.08 -36.87 85.42 Favored 'General case' 0 C--O 1.221 -0.401 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.535 179.114 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 71.9 mttt -69.95 -38.76 76.22 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.969 -0.752 . . . . 10.0 108.969 178.559 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -63.73 -48.24 77.84 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.484 -0.78 . . . . 10.0 109.626 178.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 1.2 p -68.78 -31.73 70.96 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.22 179.32 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -59.81 -49.13 78.92 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 109.145 -0.687 . . . . 10.0 109.145 177.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -62.15 -42.28 99.72 Favored Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 110.53 -1.028 . . . . 10.0 110.53 178.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 239' ' ' LEU . . . . . 0.516 ' HA ' ' HB2' ' A' ' 242' ' ' GLU . 52.1 mt -66.55 -26.9 67.35 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.616 0.246 . . . . 10.0 111.576 179.56 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 46.2 mtt180 -69.85 -41.02 75.42 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.185 -0.672 . . . . 10.0 109.185 178.485 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -72.27 -37.14 69.11 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.529 -0.915 . . . . 10.0 108.529 178.343 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 242' ' ' GLU . . . . . 0.516 ' HB2' ' HA ' ' A' ' 239' ' ' LEU . 8.3 mm-40 -64.29 -33.2 75.28 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 115.02 -0.991 . . . . 10.0 109.81 178.48 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 243' ' ' MET . . . . . 0.497 ' HG3' HD12 ' A' ' 247' ' ' LEU . 38.4 ttm -58.96 -38.39 78.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.008 0.432 . . . . 10.0 110.014 179.323 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 4.7 m -77.14 9.19 3.21 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 115.792 -0.64 . . . . 10.0 111.331 179.37 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -129.87 -65.56 0.83 Allowed 'General case' 0 C--O 1.223 -0.29 0 N-CA-C 109.583 -0.525 . . . . 10.0 109.583 178.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 246' ' ' ASP . . . . . 0.554 ' HA ' ' CZ ' ' D' ' 528' ' ' ARG . 4.7 t70 -54.14 -39.12 66.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.584 -0.734 . . . . 10.0 111.763 -179.306 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 247' ' ' LEU . . . . . 0.497 HD12 ' HG3' ' A' ' 243' ' ' MET . 35.4 mt -96.82 -42.63 7.87 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.947 0.351 . . . . 10.0 111.947 -179.669 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -65.01 -45.85 83.79 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.918 0.71 . . . . 10.0 112.918 -179.232 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -66.49 -39.3 88.66 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-O 120.992 0.425 . . . . 10.0 110.119 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 250' ' ' VAL . . . . . 0.673 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 1.6 p -71.4 -28.97 33.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.384 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 251' ' ' LYS . . . . . 0.486 ' O ' HG12 ' A' ' 254' ' ' VAL . 71.0 tttt -80.05 -36.49 35.62 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.409 0.623 . . . . 10.0 109.773 179.55 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -69.55 -34.32 74.04 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.828 -0.624 . . . . 10.0 109.797 178.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -91.73 -15.37 28.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.691 -0.686 . . . . 10.0 112.024 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 254' ' ' VAL . . . . . 0.673 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.9 OUTLIER -63.8 -25.23 37.73 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 CA-C-O 120.717 0.294 . . . . 10.0 110.724 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 255' ' ' GLN . . . . . 0.504 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 36.0 mt-30 -66.21 -63.47 3.11 Favored Pre-proline 0 CA--C 1.534 0.356 0 CA-C-N 116.057 -0.519 . . . . 10.0 110.869 179.183 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 256' ' ' PRO . . . . . 0.504 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 20.6 Cg_endo -62.44 -32.06 80.76 Favored 'Trans proline' 0 C--N 1.358 1.038 0 C-N-CA 121.784 1.656 . . . . 10.0 112.228 179.18 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 9.5 m-30 -67.96 -51.1 51.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.542 -0.299 . . . . 10.0 110.343 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 258' ' ' LEU . . . . . 0.419 ' O ' ' HB2' ' A' ' 262' ' ' GLN . 22.2 mt -70.7 -34.18 71.68 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 116.64 -0.255 . . . . 10.0 110.715 179.246 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -63.63 -48.76 75.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.507 -0.315 . . . . 10.0 110.672 179.323 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 260' ' ' ASP . . . . . 0.753 ' HA ' ' HE2' ' A' ' 263' ' ' LYS . 25.4 t70 -63.05 -46.64 86.55 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.338 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 2.7 m-30 -64.4 -28.75 69.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 10.0 110.443 179.125 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 262' ' ' GLN . . . . . 0.419 ' HB2' ' O ' ' A' ' 258' ' ' LEU . 0.3 OUTLIER -70.42 -46.25 64.3 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 109.277 -0.638 . . . . 10.0 109.277 178.469 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 263' ' ' LYS . . . . . 0.753 ' HE2' ' HA ' ' A' ' 260' ' ' ASP . 27.2 mtmt -61.25 -41.25 96.59 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.209 -0.663 . . . . 10.0 109.209 178.54 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 264' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -64.41 -45.39 87.81 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.706 -0.679 . . . . 10.0 109.368 178.442 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 1.3 m95 -61.17 -41.51 96.9 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.273 -0.421 . . . . 10.0 110.314 179.004 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -57.36 -48.34 79.29 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.411 -0.589 . . . . 10.0 109.411 178.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 267' ' ' GLU . . . . . 0.417 ' O ' ' HG ' ' A' ' 271' ' ' LEU . 99.4 mt-10 -64.09 -45.07 90.31 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 115.709 -0.678 . . . . 10.0 110.251 178.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 268' ' ' GLU . . . . . 0.51 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 24.6 mt-10 -56.76 -46.2 81.59 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.865 179.629 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 73.5 mmm -69.45 -39.91 77.48 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.866 -0.606 . . . . 10.0 110.509 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -66.55 -43.9 83.82 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.669 -0.242 . . . . 10.0 110.879 179.556 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 271' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 267' ' ' GLU . 86.7 mt -59.83 -34.64 73.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.149 0.499 . . . . 10.0 109.912 179.05 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 272' ' ' TYR . . . . . 0.456 ' HD1' ' HA ' ' A' ' 272' ' ' TYR . 0.7 OUTLIER -80.65 -36.6 32.27 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.725 -0.67 . . . . 10.0 111.061 179.289 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 273' ' ' ARG . . . . . 0.409 ' O ' HG12 ' A' ' 276' ' ' VAL . 72.4 mtt180 -69.49 -40.43 77.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.488 -0.324 . . . . 10.0 111.097 179.603 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -68.02 -31.22 70.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.03 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 275' ' ' LYS . . . . . 0.577 ' HD2' HD21 ' D' ' 499' ' ' LEU . 57.2 mttp -92.08 -28.08 17.36 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.733 0.642 . . . . 10.0 112.733 -179.138 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 276' ' ' VAL . . . . . 0.409 HG12 ' O ' ' A' ' 273' ' ' ARG . 5.2 p -61.3 -32.57 53.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 112.227 0.455 . . . . 10.0 112.227 -178.821 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 277' ' ' GLU . . . . . 0.429 ' HB2' ' HD3' ' A' ' 278' ' ' PRO . 6.3 mt-10 -64.19 -60.71 8.09 Favored Pre-proline 0 C--N 1.327 -0.41 0 N-CA-C 112.097 0.406 . . . . 10.0 112.097 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 278' ' ' PRO . . . . . 0.429 ' HD3' ' HB2' ' A' ' 277' ' ' GLU . 19.8 Cg_endo -62.28 -35.28 74.69 Favored 'Trans proline' 0 C--N 1.354 0.851 0 C-N-CA 121.779 1.652 . . . . 10.0 111.524 178.613 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 279' ' ' LEU . . . . . 0.54 HD22 ' HE3' ' D' ' 495' ' ' LYS . 39.2 mt -66.3 -47.25 74.19 Favored 'General case' 0 C--O 1.226 -0.155 0 CA-C-N 116.483 -0.326 . . . . 10.0 110.781 179.134 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -61.84 -35.88 79.55 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.872 -0.418 . . . . 10.0 109.872 179.219 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -62.07 -50.08 73.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.74 179.216 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -68.38 -37.29 80.26 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.929 -0.308 . . . . 10.0 110.78 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 283' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' A' ' 279' ' ' LEU . 92.1 mt -63.6 -40.76 97.76 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 109.399 -0.593 . . . . 10.0 109.399 178.659 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -65.54 -43.15 90.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.78 -0.646 . . . . 10.0 109.44 178.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -59.85 -49.25 78.46 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.868 -0.605 . . . . 10.0 109.466 178.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -60.5 -42.11 98.95 Favored Glycine 0 N--CA 1.441 -1.024 0 N-CA-C 110.996 -0.842 . . . . 10.0 110.996 178.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -61.08 -44.98 96.55 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 110.218 -0.289 . . . . 10.0 110.218 179.048 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 288' ' ' ARG . . . . . 0.456 ' O ' ' HB2' ' A' ' 292' ' ' HIS . 16.9 mtt180 -58.65 -48.52 80.78 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.343 179.232 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 6.1 tm0? -63.62 -42.95 98.13 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.987 -0.551 . . . . 10.0 111.101 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 58.3 mttt -65.92 -42.75 89.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 10.0 110.543 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 71.5 mt -67.08 -35.55 80.06 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.288 -0.634 . . . . 10.0 109.288 178.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 292' ' ' HIS . . . . . 0.456 ' HB2' ' O ' ' A' ' 288' ' ' ARG . 0.2 OUTLIER -65.96 -47.5 74.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.56 -0.745 . . . . 10.0 109.485 178.858 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.17 -34.99 72.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.987 -0.552 . . . . 10.0 109.578 179.116 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 31.6 mt -68.95 -45.82 69.76 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 115.521 -0.763 . . . . 10.0 109.589 178.622 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 295' ' ' GLN . . . . . 0.412 ' HA ' ' HB2' ' A' ' 298' ' ' LEU . 47.5 mt-30 -63.04 -32.8 74.25 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.161 0.505 . . . . 10.0 110.664 179.235 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 296' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 292' ' ' HIS . 75.1 mm-40 -65.06 -14.93 61.69 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.692 -0.685 . . . . 10.0 110.487 179.203 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 297' ' ' LYS . . . . . 0.569 ' HB3' HD12 ' A' ' 301' ' ' LEU . 33.5 mmtp -114.08 -35.7 4.97 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.044 -0.526 . . . . 10.0 110.654 179.256 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 298' ' ' LEU . . . . . 0.412 ' HB2' ' HA ' ' A' ' 295' ' ' GLN . 21.7 mt -57.49 -34.8 69.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.251 -0.431 . . . . 10.0 111.587 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 299' ' ' SER . . . . . 0.469 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 3.4 m -74.14 -62.1 1.11 Allowed Pre-proline 0 C--N 1.324 -0.508 0 N-CA-C 112.313 0.486 . . . . 10.0 112.313 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 300' ' ' PRO . . . . . 0.469 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 29.1 Cg_endo -63.83 -50.71 2.88 Favored 'Trans proline' 0 C--N 1.358 1.05 0 C-N-CA 121.745 1.63 . . . . 10.0 112.816 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 301' ' ' LEU . . . . . 0.79 HD22 ' HG2' ' D' ' 473' ' ' LYS . 75.6 mt -68.32 -24.55 64.84 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 110.091 -0.337 . . . . 10.0 110.091 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -74.65 -49.76 10.43 Favored Glycine 0 N--CA 1.446 -0.699 0 N-CA-C 110.119 -1.192 . . . . 10.0 110.119 178.5 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -60.87 -40.78 94.26 Favored 'General case' 0 CA--C 1.519 -0.236 0 N-CA-C 108.873 -0.788 . . . . 10.0 108.873 178.147 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -63.34 -37.24 86.5 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.503 -0.771 . . . . 10.0 109.859 178.059 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 8.5 tpt -68.19 -39.34 82.49 Favored 'General case' 0 CA--C 1.516 -0.341 0 N-CA-C 109.933 -0.395 . . . . 10.0 109.933 179.133 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 306' ' ' ARG . . . . . 0.502 ' O ' ' HG3' ' A' ' 310' ' ' ARG . 3.8 mtt180 -67.71 -39.0 84.37 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.755 -0.657 . . . . 10.0 109.48 178.728 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 307' ' ' ASP . . . . . 0.638 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 34.6 t70 -69.15 -41.57 77.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.004 -0.544 . . . . 10.0 109.898 178.697 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 308' ' ' ARG . . . . . 0.435 ' HG3' HD11 ' D' ' 469' ' ' LEU . 9.3 mmt180 -66.51 -32.86 74.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.938 -0.573 . . . . 10.0 109.55 178.072 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 309' ' ' ALA . . . . . 0.441 ' HA ' ' HB2' ' A' ' 312' ' ' HIS . . . -66.16 -33.69 76.34 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 109.061 -0.718 . . . . 10.0 109.061 177.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 310' ' ' ARG . . . . . 0.638 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 91.8 mtt180 -59.2 -51.26 70.74 Favored 'General case' 0 C--O 1.221 -0.407 0 N-CA-C 108.612 -0.884 . . . . 10.0 108.612 178.199 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -65.76 -39.22 90.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.413 179.255 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 312' ' ' HIS . . . . . 0.441 ' HB2' ' HA ' ' A' ' 309' ' ' ALA . 0.5 OUTLIER -58.34 -51.75 68.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 10.0 110.49 179.713 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 76.3 t -73.59 -36.97 48.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.549 -0.751 . . . . 10.0 111.077 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 314' ' ' ASP . . . . . 0.438 ' HB2' ' O ' ' A' ' 310' ' ' ARG . 8.8 t70 -60.67 -49.75 76.26 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.865 -0.421 . . . . 10.0 109.865 179.484 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -62.39 -36.2 81.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.631 -0.713 . . . . 10.0 109.854 179.167 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 7.1 mt -65.9 -47.46 74.72 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-N 115.748 -0.66 . . . . 10.0 109.307 178.58 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 21.6 mtm105 -60.58 -46.67 89.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.339 -0.391 . . . . 10.0 110.952 179.37 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 48.7 m -59.79 -29.09 67.98 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.932 -0.576 . . . . 10.0 111.121 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -90.03 -37.13 14.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.429 -0.35 . . . . 10.0 110.966 179.455 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 60.0 mt -65.85 -31.87 73.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.569 -0.287 . . . . 10.0 111.606 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -55.29 -60.86 7.13 Favored Pre-proline 0 CA--C 1.535 0.372 0 O-C-N 123.085 0.241 . . . . 10.0 111.545 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -66.32 -37.18 24.84 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 121.423 1.415 . . . . 10.0 110.915 178.193 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 323' ' ' TYR . . . . . 0.474 ' O ' ' HG ' ' A' ' 327' ' ' LEU . 9.2 m-30 -58.72 -47.73 83.57 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.357 -0.383 . . . . 10.0 111.808 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 14.8 p -63.1 -40.23 97.03 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 123.134 0.271 . . . . 10.0 111.08 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 325' ' ' ASP . . . . . 0.693 ' HA ' ' HD2' ' A' ' 328' ' ' ARG . 1.3 m-20 -66.04 -40.02 90.66 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.448 -0.575 . . . . 10.0 109.448 178.821 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 326' ' ' GLU . . . . . 0.446 ' O ' ' HG3' ' A' ' 330' ' ' ARG . 26.6 mt-10 -65.11 -38.65 91.36 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 108.686 -0.857 . . . . 10.0 108.686 177.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 327' ' ' LEU . . . . . 0.533 HD23 ' HD2' ' A' ' 330' ' ' ARG . 32.7 mt -66.55 -36.31 82.35 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.962 -0.563 . . . . 10.0 109.882 178.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 328' ' ' ARG . . . . . 0.693 ' HD2' ' HA ' ' A' ' 325' ' ' ASP . 86.9 mtt180 -61.99 -43.83 98.01 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.003 -0.74 . . . . 10.0 109.003 178.466 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -66.42 -38.88 88.43 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.819 -0.628 . . . . 10.0 109.316 178.267 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 330' ' ' ARG . . . . . 0.734 HH21 ' HB3' ' D' ' 447' ' ' GLU . 32.2 mtt180 -60.86 -48.08 83.43 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 109.392 -0.596 . . . . 10.0 109.392 178.251 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 67.6 mt -62.35 -43.65 98.32 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.543 -0.753 . . . . 10.0 110.259 179.182 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -61.03 -51.9 67.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.286 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -60.02 -43.98 94.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.668 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 7.7 mmt180 -63.93 -47.41 80.64 Favored 'General case' 0 C--O 1.225 -0.209 0 CA-C-N 116.296 -0.411 . . . . 10.0 109.91 179.199 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 335' ' ' LEU . . . . . 0.416 ' O ' ' HG3' ' A' ' 339' ' ' LYS . 49.8 mt -61.78 -42.63 99.25 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 116.28 -0.418 . . . . 10.0 110.774 179.464 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -60.33 -47.38 86.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.644 -0.253 . . . . 10.0 110.563 179.579 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -65.2 -44.2 89.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.224 -0.443 . . . . 10.0 109.958 179.345 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 54.7 mt -65.53 -19.68 66.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.75 -0.659 . . . . 10.0 111.094 179.28 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 339' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' A' ' 335' ' ' LEU . 74.5 mttt -81.84 -40.98 21.69 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.653 -0.499 . . . . 10.0 109.653 178.196 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -67.49 -55.82 12.03 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 108.527 -0.916 . . . . 10.0 108.527 178.158 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -62.32 -43.87 97.82 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.15 -0.932 . . . . 10.0 110.098 179.233 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 342' ' ' GLY . . . . . 0.404 ' O ' ' HG ' ' A' ' 346' ' ' LEU . . . -60.25 -47.73 89.64 Favored Glycine 0 C--O 1.227 -0.318 0 CA-C-N 115.707 -0.678 . . . . 10.0 112.032 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -61.44 -42.42 99.76 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.752 -0.737 . . . . 10.0 111.399 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -64.62 -42.49 95.48 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 110.093 -0.336 . . . . 10.0 110.093 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 41.1 mtm180 -66.94 -41.16 87.43 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.381 179.4 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 346' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 342' ' ' GLY . 75.6 mt -57.76 -47.68 81.8 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 110.038 -0.356 . . . . 10.0 110.038 179.073 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -65.83 -41.26 92.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.06 178.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -61.85 -45.7 92.66 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.824 -0.625 . . . . 10.0 110.245 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -65.23 -30.03 70.88 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.417 179.093 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -67.58 -46.71 71.84 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 109.434 -0.58 . . . . 10.0 109.434 178.574 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 351' ' ' ALA . . . . . 0.53 ' O ' ' HG2' ' A' ' 355' ' ' GLU . . . -64.8 -41.21 95.99 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.755 -0.831 . . . . 10.0 108.755 178.041 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 352' ' ' LYS . . . . . 0.499 ' HG3' ' OE2' ' D' ' 425' ' ' GLU . 5.7 mtmm -59.4 -45.9 90.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.572 -0.74 . . . . 10.0 109.695 178.711 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 353' ' ' ALA . . . . . 0.426 ' O ' ' HG ' ' A' ' 357' ' ' LEU . . . -62.4 -40.18 95.65 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.841 -0.618 . . . . 10.0 109.781 178.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 25.7 m -60.99 -45.42 94.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.489 . . . . 10.0 110.136 178.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 355' ' ' GLU . . . . . 0.53 ' HG2' ' O ' ' A' ' 351' ' ' ALA . 49.3 mm-40 -66.52 -39.9 88.87 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.062 0.458 . . . . 10.0 110.04 179.55 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -65.76 -36.12 82.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.068 178.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 357' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 353' ' ' ALA . 46.1 mt -64.33 -42.05 96.48 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.14 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 358' ' ' SER . . . . . 0.405 ' O ' ' HG2' ' A' ' 362' ' ' GLU . 0.0 OUTLIER -61.45 -49.59 76.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.892 0.377 . . . . 10.0 110.468 179.376 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 359' ' ' THR . . . . . 0.408 ' CG2' ' HB3' ' D' ' 414' ' ' LYS . 1.5 m -66.19 -30.04 70.43 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.447 179.024 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 7.3 tt -70.38 -32.71 70.49 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.12 -0.696 . . . . 10.0 109.12 178.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 30.8 m -67.0 -31.03 71.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.961 -0.563 . . . . 10.0 109.801 179.268 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 362' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 358' ' ' SER . 4.2 mm-40 -68.98 -15.55 63.51 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.63 0.728 . . . . 10.0 109.329 178.724 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 363' ' ' LYS . . . . . 0.655 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 82.3 mttt -97.12 -43.03 7.57 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.545 -0.909 . . . . 10.0 108.545 178.122 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -64.16 -31.87 73.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.358 -0.837 . . . . 10.0 112.604 -179.594 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 365' ' ' LYS . . . . . 0.995 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 57.9 mttt -105.86 -75.0 0.02 OUTLIER Pre-proline 0 CA--C 1.538 0.489 0 N-CA-C 113.107 0.78 . . . . 10.0 113.107 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 366' ' ' PRO . . . . . 0.995 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 35.2 Cg_exo -58.28 -51.54 7.36 Favored 'Trans proline' 0 C--N 1.354 0.832 0 C-N-CA 122.269 1.979 . . . . 10.0 113.63 -178.63 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 367' ' ' ALA . . . . . 0.655 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -61.29 -53.39 57.44 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.586 0.217 . . . . 10.0 111.586 -179.355 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 368' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 368' ' ' LEU . 15.9 mt -58.64 -38.51 78.26 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.773 -0.194 . . . . 10.0 111.474 179.713 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -64.46 -49.95 69.42 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.835 -0.431 . . . . 10.0 109.835 179.075 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -60.58 -37.67 82.07 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.328 179.41 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 49.9 mt -66.68 -42.94 85.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.703 -0.681 . . . . 10.0 110.164 179.113 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 372' ' ' ARG . . . . . 0.423 ' O ' ' HG ' ' A' ' 376' ' ' LEU . 57.8 mtt85 -66.5 -40.24 89.14 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.738 -0.468 . . . . 10.0 109.738 178.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -63.66 -20.6 65.83 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.034 178.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -93.99 -35.11 6.19 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 110.824 -0.91 . . . . 10.0 110.824 178.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 375' ' ' LEU . . . . . 0.497 ' O ' ' HG ' ' A' ' 379' ' ' LEU . 41.4 mt -65.97 -39.61 90.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.825 -0.188 . . . . 10.0 111.112 179.269 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 376' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 372' ' ' ARG . 92.3 mt -50.57 -60.23 5.79 Favored Pre-proline 0 CA--C 1.537 0.473 0 N-CA-C 112.892 0.701 . . . . 10.0 112.892 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -64.27 -32.2 62.32 Favored 'Trans proline' 0 C--N 1.355 0.873 0 C-N-CA 122.109 1.873 . . . . 10.0 111.496 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 25.1 t -65.73 -39.99 86.48 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 N-CA-C 109.612 -0.514 . . . . 10.0 109.612 178.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 379' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 375' ' ' LEU . 88.8 mt -62.37 -35.43 79.15 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.097 -0.501 . . . . 10.0 110.098 178.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 380' ' ' GLU . . . . . 0.429 ' O ' HG23 ' A' ' 384' ' ' VAL . 31.3 mt-10 -60.89 -49.87 75.71 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.447 -0.575 . . . . 10.0 109.447 179.253 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.25 -42.03 90.15 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.989 -0.551 . . . . 10.0 110.218 179.21 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -64.45 -42.88 95.71 Favored 'General case' 0 C--O 1.221 -0.445 0 CA-C-N 115.724 -0.671 . . . . 10.0 110.835 179.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 383' ' ' LYS . . . . . 0.429 ' O ' ' HG ' ' A' ' 387' ' ' LEU . 93.9 mttt -62.28 -46.26 89.57 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.818 0.342 . . . . 10.0 110.589 179.558 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 384' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 380' ' ' GLU . 89.5 t -61.05 -49.78 83.29 Favored 'Isoleucine or valine' 0 C--O 1.236 0.395 0 CA-C-N 116.097 -0.502 . . . . 10.0 110.992 179.606 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 8.7 p -65.78 -35.43 80.69 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.389 -0.369 . . . . 10.0 111.275 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 386' ' ' PHE . . . . . 0.668 ' HZ ' ' H75' ' A' ' 415' ' ' 17F . 0.6 OUTLIER -61.54 -45.26 94.93 Favored 'General case' 0 CA--C 1.52 -0.202 0 N-CA-C 109.319 -0.623 . . . . 10.0 109.319 178.836 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 387' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 383' ' ' LYS . 79.0 mt -64.31 -40.52 96.09 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.146 179.045 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 388' ' ' SER . . . . . 0.521 ' HB3' ' HD3' ' D' ' 594' ' ' LYS . 38.3 m -63.24 -45.27 92.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.913 -0.585 . . . . 10.0 109.931 179.086 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -64.41 -41.85 96.41 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.921 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 26.7 mt -58.69 -48.86 79.67 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.158 -0.474 . . . . 10.0 109.946 179.141 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -60.99 -41.24 96.1 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.487 179.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -56.35 -55.71 30.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 10.0 111.467 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -61.93 -35.62 78.96 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.208 -0.451 . . . . 10.0 111.618 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 23.7 m -67.53 -44.84 77.37 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.369 -0.378 . . . . 10.0 111.293 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -68.99 -40.91 78.46 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.41 0.522 . . . . 10.0 112.41 -179.421 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 396' ' ' LYS . . . . . 0.639 ' HE2' ' HA ' ' D' ' 587' ' ' ALA . 13.5 mptt -75.36 -36.06 61.03 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 113.512 0.93 . . . . 10.0 113.512 -177.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 64.8 mt -92.59 14.5 16.74 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.45 0.537 . . . . 10.0 112.45 -179.383 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 64.1 t30 . . . . . 0 C--N 1.323 -0.55 0 CA-C-N 116.662 -0.245 . . . . 10.0 110.885 179.558 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 2.9 mm? . . . . . 0 C--O 1.235 0.299 0 CA-C-O 121.499 0.666 . . . . 10.0 109.839 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -87.74 7.69 29.11 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.443 -0.799 . . . . 10.0 110.471 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 75.7 mt -61.72 -39.44 91.52 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.725 -0.671 . . . . 10.0 109.677 179.294 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 36.7 mt -63.85 -38.13 89.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.652 -0.703 . . . . 10.0 110.633 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -62.22 -53.27 57.62 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 115.897 -0.592 . . . . 10.0 109.719 179.506 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 404' ' ' ASN . . . . . 0.558 ' O ' HG23 ' D' ' 408' ' ' VAL . 59.1 t30 -60.05 -40.6 89.99 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.656 -0.702 . . . . 10.0 110.696 -179.622 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 4.7 m95 -56.39 -43.64 79.48 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.376 -0.375 . . . . 10.0 111.06 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -64.87 -43.59 92.46 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.935 0.398 . . . . 10.0 110.194 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 1.8 m -61.0 -42.18 97.95 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.678 -0.692 . . . . 10.0 110.733 178.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 408' ' ' VAL . . . . . 0.558 HG23 ' O ' ' D' ' 404' ' ' ASN . 61.7 t -65.86 -41.79 90.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 121.012 0.434 . . . . 10.0 109.866 178.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 19.8 m -63.7 -31.67 72.91 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.311 178.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 27.2 m -64.3 -45.63 87.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.348 179.395 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 411' ' ' THR . . . . . 0.434 HG22 ' HE2' ' A' ' 363' ' ' LYS . 0.0 OUTLIER -67.01 -33.05 74.72 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 120.708 0.29 . . . . 10.0 110.701 179.74 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 11.7 m-30 -65.86 -45.52 81.83 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.426 -0.583 . . . . 10.0 109.426 178.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 13.3 m -62.97 -38.22 90.24 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 109.35 -0.611 . . . . 10.0 109.35 178.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 414' ' ' LYS . . . . . 0.408 ' HB3' ' CG2' ' A' ' 359' ' ' THR . 29.3 mmtt -65.6 -35.14 79.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.686 -0.688 . . . . 10.0 110.505 178.496 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.38 -40.8 85.73 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.422 -0.584 . . . . 10.0 109.422 179.006 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -66.01 -34.94 79.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.39 -0.823 . . . . 10.0 109.829 178.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -66.07 -34.78 78.85 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.784 -0.643 . . . . 10.0 109.854 178.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -72.65 -48.69 37.25 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 108.866 -0.79 . . . . 10.0 108.866 178.368 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 14.0 mt -45.52 -46.51 13.96 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-N 115.05 -0.977 . . . . 10.0 112.901 -179.437 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -48.97 -77.81 0.11 Allowed Glycine 0 C--N 1.334 0.426 0 O-C-N 123.677 0.611 . . . . 10.0 113.276 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 421' ' ' PRO . . . . . 0.551 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 52.7 Cg_exo -57.38 -36.4 98.85 Favored 'Trans proline' 0 C--O 1.233 0.275 0 C-N-CA 122.571 2.181 . . . . 10.0 112.717 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 25.7 t -62.25 -48.31 89.02 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.343 0 N-CA-C 112.079 0.4 . . . . 10.0 112.079 -179.393 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 25.5 p -68.67 -35.74 77.61 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 121.058 -0.257 . . . . 10.0 110.768 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -57.05 -51.33 69.68 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.172 -0.467 . . . . 10.0 109.767 178.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 425' ' ' GLU . . . . . 0.551 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 10.4 pt-20 -76.92 -27.73 55.02 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-N 116.272 -0.422 . . . . 10.0 111.195 179.4 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 426' ' ' PHE . . . . . 0.513 ' O ' ' HG ' ' D' ' 430' ' ' LEU . 40.7 t80 -64.5 -42.0 96.1 Favored 'General case' 0 CA--C 1.52 -0.191 0 N-CA-C 109.602 -0.518 . . . . 10.0 109.602 178.769 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 427' ' ' TRP . . . . . 0.445 ' O ' ' HG3' ' D' ' 431' ' ' GLU . 38.8 m0 -67.62 -40.03 84.7 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.977 -0.749 . . . . 10.0 108.977 178.568 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -63.56 -39.45 94.42 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 108.511 -0.922 . . . . 10.0 108.511 178.211 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 429' ' ' ASN . . . . . 0.413 ' HA ' ' HD2' ' D' ' 432' ' ' LYS . 2.8 t30 -65.22 -42.61 93.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.171 -0.922 . . . . 10.0 109.459 178.373 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 430' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' D' ' 426' ' ' PHE . 57.1 mt -60.46 -35.36 75.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.005 -0.543 . . . . 10.0 109.572 178.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 431' ' ' GLU . . . . . 0.445 ' HG3' ' O ' ' D' ' 427' ' ' TRP . 94.2 mt-10 -69.19 -35.95 76.81 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.71 -0.677 . . . . 10.0 109.61 177.723 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 432' ' ' LYS . . . . . 0.413 ' HD2' ' HA ' ' D' ' 429' ' ' ASN . 31.5 mttp -64.44 -46.66 82.19 Favored 'General case' 0 CA--C 1.519 -0.243 0 N-CA-C 107.921 -1.14 . . . . 10.0 107.921 177.567 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -62.49 -49.86 73.7 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 114.961 -1.018 . . . . 10.0 110.857 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 1.5 p -59.61 -50.87 72.21 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 121.302 -0.159 . . . . 10.0 111.226 179.588 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 435' ' ' GLU . . . . . 0.468 ' O ' ' HG3' ' D' ' 439' ' ' GLN . 25.6 mm-40 -60.8 -49.37 77.77 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.61 0.243 . . . . 10.0 110.678 179.415 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -58.74 -47.07 92.26 Favored Glycine 0 N--CA 1.453 -0.218 0 N-CA-C 111.518 -0.633 . . . . 10.0 111.518 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 61.9 mt -64.86 -33.94 77.19 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 110.275 -0.269 . . . . 10.0 110.275 179.088 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 438' ' ' ARG . . . . . 0.603 ' HA ' ' HB2' ' D' ' 441' ' ' MET . 69.2 mtt180 -62.08 -37.67 85.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.521 -0.308 . . . . 10.0 111.409 179.671 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 439' ' ' GLN . . . . . 0.468 ' HG3' ' O ' ' D' ' 435' ' ' GLU . 69.6 mt-30 -56.37 -51.34 68.68 Favored 'General case' 0 C--O 1.235 0.299 0 O-C-N 123.653 0.596 . . . . 10.0 110.22 179.599 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.28 -23.81 47.06 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.221 -0.9 . . . . 10.0 110.762 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 441' ' ' MET . . . . . 0.603 ' HB2' ' HA ' ' D' ' 438' ' ' ARG . 2.3 mmm -62.9 -49.82 73.3 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.885 179.7 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.28 -41.21 98.97 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 109.427 -0.582 . . . . 10.0 109.427 179.177 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -63.02 -39.77 95.76 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.004 179.163 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 444' ' ' ASP . . . . . 0.721 ' O ' ' HB ' ' D' ' 448' ' ' VAL . 3.6 t0 -69.99 -50.19 44.1 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.389 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 83.4 mt -63.94 -55.47 22.29 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.835 0.68 . . . . 10.0 112.835 -179.147 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 446' ' ' GLU . . . . . 0.402 ' HA ' ' HD2' ' D' ' 449' ' ' LYS . 26.8 mm-40 -58.7 -50.22 74.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.727 0.298 . . . . 10.0 111.675 -178.766 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 447' ' ' GLU . . . . . 0.734 ' HB3' HH21 ' A' ' 330' ' ' ARG . 29.6 tt0 -67.36 -29.46 69.0 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.771 -0.372 . . . . 10.0 111.113 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 448' ' ' VAL . . . . . 0.721 ' HB ' ' O ' ' D' ' 444' ' ' ASP . 0.5 OUTLIER -63.7 -32.4 56.76 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.343 0 N-CA-C 109.837 -0.431 . . . . 10.0 109.837 179.102 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 449' ' ' LYS . . . . . 0.402 ' HD2' ' HA ' ' D' ' 446' ' ' GLU . 77.6 mttt -67.9 -43.51 79.1 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.722 -0.844 . . . . 10.0 108.722 178.527 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -78.88 6.65 8.66 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.214 -0.903 . . . . 10.0 110.472 179.048 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 451' ' ' LYS . . . . . 0.648 ' O ' ' HB2' ' D' ' 455' ' ' TYR . 43.5 mttm -115.76 -47.73 2.79 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.184 179.028 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 80.1 t -67.6 -42.22 86.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 10.0 111.516 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -55.32 -58.78 13.4 Favored Pre-proline 0 CA--C 1.536 0.412 0 C-N-CA 121.175 -0.21 . . . . 10.0 111.2 179.27 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -67.54 -24.08 42.56 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 121.762 1.641 . . . . 10.0 111.774 178.483 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 455' ' ' TYR . . . . . 0.648 ' HB2' ' O ' ' D' ' 451' ' ' LYS . 1.3 t80 -70.32 -40.69 74.03 Favored 'General case' 0 CA--C 1.52 -0.186 0 N-CA-C 109.051 -0.722 . . . . 10.0 109.051 178.788 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 17.5 mt -65.76 -39.72 91.34 Favored 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 108.653 -0.869 . . . . 10.0 108.653 177.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -63.08 -45.88 90.02 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 115.535 -0.757 . . . . 10.0 109.372 178.364 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -61.96 -43.54 98.63 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.251 -0.886 . . . . 10.0 110.338 179.297 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -67.11 -46.49 74.04 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.503 179.208 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -55.77 -38.99 70.62 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.447 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 461' ' ' LYS . . . . . 0.42 ' O ' ' HG3' ' D' ' 465' ' ' GLU . 56.0 mttt -59.76 -48.56 81.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 10.0 110.193 179.154 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 462' ' ' LYS . . . . . 0.702 ' HD2' H283 ' D' ' 602' ' ' PCW . 26.6 mtmm -70.14 -35.28 73.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.703 179.361 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 463' ' ' TRP . . . . . 0.709 ' CD1' ' H71' ' D' ' 629' ' ' 17F . 31.3 m0 -63.75 -43.52 96.21 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.374 -0.602 . . . . 10.0 109.374 178.802 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -66.59 -37.38 84.8 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.331 178.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 465' ' ' GLU . . . . . 0.461 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 38.4 mt-10 -61.75 -50.7 71.33 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 108.437 -0.949 . . . . 10.0 108.437 177.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.32 -43.94 95.91 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.685 -0.688 . . . . 10.0 110.086 179.027 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 34.6 ttm -57.15 -51.29 69.89 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.132 -0.486 . . . . 10.0 110.498 179.282 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -65.34 -34.12 77.57 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.638 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 469' ' ' LEU . . . . . 0.665 HD22 ' HE3' ' D' ' 473' ' ' LYS . 60.7 mt -67.59 -37.93 83.3 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-N 116.28 -0.418 . . . . 10.0 109.883 178.359 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -65.67 -30.19 70.85 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.896 0.379 . . . . 10.0 110.42 179.341 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 471' ' ' ARG . . . . . 0.802 ' HA ' ' HG3' ' D' ' 475' ' ' GLU . 66.7 mtt180 -79.32 -23.72 43.28 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.075 0.464 . . . . 10.0 111.013 179.104 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -99.51 -8.03 25.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.214 -0.448 . . . . 10.0 111.572 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 473' ' ' LYS . . . . . 0.79 ' HG2' HD22 ' A' ' 301' ' ' LEU . 92.3 mttt -123.0 -66.92 0.98 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.577 -0.283 . . . . 10.0 111.518 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 474' ' ' VAL . . . . . 0.431 ' O ' ' HB2' ' D' ' 478' ' ' ARG . 52.9 t -54.81 -48.2 73.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 10.0 112.15 -179.055 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 475' ' ' GLU . . . . . 0.802 ' HG3' ' HA ' ' D' ' 471' ' ' ARG . 14.8 mt-10 -58.24 -59.49 13.19 Favored Pre-proline 0 CA--C 1.533 0.299 0 N-CA-C 112.213 0.449 . . . . 10.0 112.213 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 476' ' ' PRO . . . . . 0.732 ' HD3' ' HB2' ' D' ' 475' ' ' GLU . 38.2 Cg_exo -60.04 -41.82 49.3 Favored 'Trans proline' 0 C--N 1.353 0.813 0 C-N-CA 121.811 1.674 . . . . 10.0 111.83 178.629 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 29.3 mt -62.39 -32.87 73.75 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-O 120.769 0.319 . . . . 10.0 110.237 178.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 478' ' ' ARG . . . . . 0.431 ' HB2' ' O ' ' D' ' 474' ' ' VAL . 68.8 ttt180 -63.6 -39.6 94.8 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.604 -0.725 . . . . 10.0 109.335 179.087 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -68.15 -44.33 76.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.79 -0.641 . . . . 10.0 109.533 178.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -63.52 -42.19 98.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.947 -0.57 . . . . 10.0 110.096 178.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 19.8 mt -67.0 -29.76 69.67 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.416 -0.586 . . . . 10.0 109.416 178.4 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -70.82 -40.64 72.33 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 108.65 -0.87 . . . . 10.0 108.65 178.387 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 483' ' ' GLU . . . . . 0.402 ' OE2' ' HD2' ' D' ' 486' ' ' ARG . 0.8 OUTLIER -65.51 -43.19 90.86 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.079 -0.712 . . . . 10.0 109.079 178.388 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -65.16 -35.69 92.0 Favored Glycine 0 N--CA 1.446 -0.689 0 N-CA-C 110.381 -1.087 . . . . 10.0 110.381 178.444 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 485' ' ' ALA . . . . . 0.412 ' O ' ' HG ' ' D' ' 489' ' ' LEU . . . -67.75 -42.95 80.99 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 109.532 -0.544 . . . . 10.0 109.532 178.775 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 486' ' ' ARG . . . . . 0.402 ' HD2' ' OE2' ' D' ' 483' ' ' GLU . 70.5 mtt180 -62.13 -42.14 98.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.466 . . . . 10.0 109.892 178.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 487' ' ' GLN . . . . . 0.429 ' O ' ' HG3' ' D' ' 491' ' ' GLU . 1.9 mm100 -66.1 -43.01 88.49 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.631 -0.713 . . . . 10.0 109.373 178.348 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 62.8 tttt -64.6 -36.89 85.71 Favored 'General case' 0 C--O 1.225 -0.185 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.055 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 489' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' D' ' 485' ' ' ALA . 66.9 mt -64.54 -39.84 94.5 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 109.059 -0.719 . . . . 10.0 109.059 178.109 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 37.5 t-80 -64.67 -46.96 80.22 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.068 -1.086 . . . . 10.0 108.068 177.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 491' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' D' ' 487' ' ' GLN . 80.4 mt-10 -55.51 -44.98 77.11 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.521 -0.763 . . . . 10.0 109.055 178.259 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 55.8 mt -64.11 -49.44 72.2 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.643 -0.708 . . . . 10.0 110.919 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -60.39 -36.5 78.25 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.491 -0.322 . . . . 10.0 111.333 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -69.03 -4.8 18.36 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 116.019 -0.537 . . . . 10.0 111.22 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 495' ' ' LYS . . . . . 0.575 ' O ' ' HB2' ' D' ' 499' ' ' LEU . 29.1 mttp -120.92 -46.04 2.35 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.447 179.47 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 496' ' ' LEU . . . . . 0.483 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 99.2 mt -60.69 -24.96 66.04 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.248 -0.433 . . . . 10.0 112.035 -179.72 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 497' ' ' SER . . . . . 0.519 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 4.0 m -82.82 -65.46 0.23 Allowed Pre-proline 0 CA--C 1.538 0.517 0 C-N-CA 120.804 -0.359 . . . . 10.0 111.642 179.298 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 498' ' ' PRO . . . . . 0.519 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 32.1 Cg_endo -64.66 -50.39 2.48 Favored 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 121.721 1.614 . . . . 10.0 112.075 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 499' ' ' LEU . . . . . 0.577 HD21 ' HD2' ' A' ' 275' ' ' LYS . 56.4 mt -69.49 -29.72 67.44 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.906 -0.405 . . . . 10.0 109.906 179.247 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 500' ' ' GLY . . . . . 0.483 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -64.77 -47.26 85.14 Favored Glycine 0 N--CA 1.451 -0.345 0 N-CA-C 110.852 -0.899 . . . . 10.0 110.852 179.048 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -67.16 -36.22 81.36 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.164 -0.68 . . . . 10.0 109.164 178.209 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 502' ' ' GLU . . . . . 0.495 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 21.8 tt0 -63.87 -43.3 96.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.628 -0.715 . . . . 10.0 110.273 178.693 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 503' ' ' MET . . . . . 0.57 ' HA ' ' HD2' ' D' ' 506' ' ' ARG . 33.5 mmm -61.93 -42.48 99.15 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 109.558 -0.534 . . . . 10.0 109.558 179.06 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 504' ' ' ARG . . . . . 0.468 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 67.6 mtt85 -63.83 -37.19 86.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.899 -0.592 . . . . 10.0 109.628 178.374 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 505' ' ' ASP . . . . . 0.475 ' HA ' ' HD2' ' D' ' 508' ' ' ARG . 9.1 t0 -68.26 -37.47 80.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.633 -0.712 . . . . 10.0 109.874 179.417 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 506' ' ' ARG . . . . . 0.57 ' HD2' ' HA ' ' D' ' 503' ' ' MET . 47.1 mtt180 -62.57 -42.42 99.54 Favored 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 108.064 -1.087 . . . . 10.0 108.064 177.673 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -60.74 -43.35 98.02 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 114.905 -1.043 . . . . 10.0 109.48 178.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 508' ' ' ARG . . . . . 0.475 ' HD2' ' HA ' ' D' ' 505' ' ' ASP . 70.5 mtt180 -58.21 -45.25 87.99 Favored 'General case' 0 C--O 1.223 -0.335 0 O-C-N 123.507 0.504 . . . . 10.0 109.673 178.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -62.14 -48.7 78.96 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.659 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 510' ' ' HIS . . . . . 0.408 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 15.8 m-70 -64.05 -47.31 80.67 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.206 -0.452 . . . . 10.0 111.213 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 511' ' ' VAL . . . . . 0.498 ' O ' ' HG3' ' D' ' 515' ' ' ARG . 55.8 t -63.24 -43.06 98.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.451 -0.34 . . . . 10.0 110.445 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 512' ' ' ASP . . . . . 0.877 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 9.5 t70 -61.9 -39.33 91.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.048 0.452 . . . . 10.0 109.806 179.231 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -66.21 -45.54 80.4 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 108.513 -0.921 . . . . 10.0 108.513 178.218 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 514' ' ' LEU . . . . . 0.563 ' HA ' ' HB2' ' D' ' 517' ' ' HIS . 89.7 mt -60.88 -27.34 68.06 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 115.644 -0.707 . . . . 10.0 110.743 179.305 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 515' ' ' ARG . . . . . 0.877 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 89.7 mtt180 -65.43 -35.14 80.04 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.294 -0.632 . . . . 10.0 109.294 178.254 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.37 7.32 45.64 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.849 179.507 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 517' ' ' HIS . . . . . 0.563 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 34.8 m170 -113.37 -65.54 1.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.502 179.368 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 90.9 mt -66.95 -43.5 82.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.708 -0.678 . . . . 10.0 112.697 -178.639 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 519' ' ' ALA . . . . . 0.643 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -58.6 -57.56 25.66 Favored Pre-proline 0 N--CA 1.466 0.353 0 N-CA-C 112.356 0.502 . . . . 10.0 112.356 -179.568 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 520' ' ' PRO . . . . . 0.643 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 36.4 Cg_exo -62.1 -32.64 83.45 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 121.79 1.66 . . . . 10.0 110.763 178.199 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 521' ' ' TYR . . . . . 0.4 ' HB2' ' O ' ' D' ' 517' ' ' HIS . 24.2 t80 -65.98 -43.53 87.56 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.244 -0.435 . . . . 10.0 110.745 179.461 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 1.7 p -67.21 -32.61 73.78 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 109.516 -0.55 . . . . 10.0 109.516 178.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 523' ' ' ASP . . . . . 0.539 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 0.6 OUTLIER -65.87 -41.41 91.63 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 108.7 -0.852 . . . . 10.0 108.7 177.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -68.43 -37.98 80.76 Favored 'General case' 0 CA--C 1.519 -0.218 0 N-CA-C 108.603 -0.888 . . . . 10.0 108.603 177.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 40.8 mt -62.31 -36.74 83.1 Favored 'General case' 0 C--O 1.219 -0.548 0 CA-C-N 115.352 -0.84 . . . . 10.0 109.349 178.447 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 526' ' ' ARG . . . . . 0.539 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 77.6 mtt180 -64.02 -39.54 94.33 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.546 -0.538 . . . . 10.0 109.546 178.175 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -66.48 -42.05 88.06 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.316 -0.624 . . . . 10.0 109.316 178.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 528' ' ' ARG . . . . . 0.554 ' CZ ' ' HA ' ' A' ' 246' ' ' ASP . 58.9 mtt180 -68.58 -48.69 63.56 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.5 -0.773 . . . . 10.0 110.589 179.36 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 40.6 mt -62.67 -30.76 71.63 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-N 115.978 -0.556 . . . . 10.0 110.796 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -61.21 -41.27 96.54 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.279 -0.637 . . . . 10.0 109.279 178.417 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -77.46 -42.58 35.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.63 -0.713 . . . . 10.0 109.462 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 532' ' ' ARG . . . . . 0.478 ' O ' ' HG ' ' D' ' 536' ' ' LEU . 17.5 ttm180 -58.74 -46.9 86.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.664 -0.698 . . . . 10.0 110.053 179.21 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 81.9 mt -69.33 -34.38 74.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.177 178.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 534' ' ' GLU . . . . . 0.431 ' HA ' ' HE3' ' D' ' 537' ' ' LYS . 38.4 tt0 -62.04 -44.21 97.19 Favored 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 109.112 -0.699 . . . . 10.0 109.112 178.574 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -64.59 -39.97 94.69 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.535 -0.757 . . . . 10.0 109.549 178.577 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 536' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' D' ' 532' ' ' ARG . 74.4 mt -67.85 -32.63 73.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.666 179.086 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 537' ' ' LYS . . . . . 0.431 ' HE3' ' HA ' ' D' ' 534' ' ' GLU . 43.5 mtmt -74.45 -41.4 60.87 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.359 -0.608 . . . . 10.0 109.359 178.353 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -65.16 -47.63 76.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.813 -0.63 . . . . 10.0 109.769 178.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -65.97 -42.21 90.19 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-N 115.466 -0.788 . . . . 10.0 109.239 178.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -63.14 -40.09 98.74 Favored Glycine 0 N--CA 1.446 -0.697 0 CA-C-N 115.799 -0.637 . . . . 10.0 112.182 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -66.73 -45.96 79.58 Favored Glycine 0 N--CA 1.449 -0.5 0 N-CA-C 111.127 -0.789 . . . . 10.0 111.127 179.261 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -64.78 -46.05 83.76 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.9 -0.407 . . . . 10.0 109.9 179.014 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 48.6 mtt180 -63.42 -30.76 71.83 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 115.774 -0.648 . . . . 10.0 111.135 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 544' ' ' LEU . . . . . 0.562 ' O ' ' HB2' ' D' ' 548' ' ' HIS . 6.2 mt -65.81 -42.09 91.08 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 109.297 -0.631 . . . . 10.0 109.297 178.676 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -68.03 -40.84 82.83 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.443 -0.577 . . . . 10.0 109.443 178.472 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -64.75 -47.78 76.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.585 -0.734 . . . . 10.0 110.475 179.161 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -67.83 -34.44 76.73 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.142 -0.481 . . . . 10.0 111.0 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 548' ' ' HIS . . . . . 0.562 ' HB2' ' O ' ' D' ' 544' ' ' LEU . 3.4 t-80 -66.46 -44.18 83.47 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.443 -0.947 . . . . 10.0 108.443 178.229 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -63.78 -49.68 71.97 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 115.437 -0.801 . . . . 10.0 109.291 178.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 550' ' ' LYS . . . . . 0.458 ' HD3' HG22 ' A' ' 224' ' ' VAL . 0.0 OUTLIER -59.38 -36.87 76.58 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.95 179.412 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -66.89 -39.7 87.54 Favored 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 109.007 -0.738 . . . . 10.0 109.007 178.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 26.6 m -65.09 -48.64 72.98 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.494 -0.776 . . . . 10.0 109.419 178.465 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -59.17 -45.63 90.52 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-N 115.802 -0.636 . . . . 10.0 110.46 179.018 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 25.5 t60 -63.98 -37.38 87.22 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 115.976 -0.556 . . . . 10.0 110.229 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 555' ' ' LEU . . . . . 0.456 ' HA ' HD12 ' D' ' 558' ' ' LEU . 36.7 tp -60.58 -43.47 97.31 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.171 -0.468 . . . . 10.0 110.249 179.453 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.63 -39.92 95.37 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.879 179.175 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -71.2 -32.26 68.62 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 116.478 -0.328 . . . . 10.0 110.278 178.667 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 558' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' D' ' 555' ' ' LEU . 29.8 mt -63.91 -48.62 75.88 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-N 115.865 -0.607 . . . . 10.0 109.594 178.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 3.2 p -70.38 -34.26 72.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.211 -0.45 . . . . 10.0 110.29 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -60.83 -37.47 82.12 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.405 179.195 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.76 -19.18 22.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.945 -0.571 . . . . 10.0 111.241 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -64.79 -48.92 72.7 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.408 -0.36 . . . . 10.0 111.315 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 563' ' ' LYS . . . . . 0.452 ' HB2' ' CD ' ' D' ' 564' ' ' PRO . 61.5 mttt -55.29 -61.03 6.69 Favored Pre-proline 0 C--N 1.328 -0.339 0 N-CA-C 112.491 0.552 . . . . 10.0 112.491 -179.423 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 564' ' ' PRO . . . . . 0.452 ' CD ' ' HB2' ' D' ' 563' ' ' LYS . 20.4 Cg_endo -59.94 -40.45 62.14 Favored 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 122.103 1.868 . . . . 10.0 112.116 -179.517 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -61.39 -50.7 71.83 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-O 120.779 0.323 . . . . 10.0 110.223 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 67.3 mt -63.0 -45.8 90.67 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.916 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -59.4 -52.45 65.56 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.576 0.213 . . . . 10.0 111.576 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.86 -37.33 84.25 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.601 -0.272 . . . . 10.0 111.481 -178.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 34.8 mt -67.16 -45.24 77.61 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 110.209 -0.293 . . . . 10.0 110.209 178.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -64.29 -51.7 62.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.762 0.315 . . . . 10.0 110.269 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -69.33 -6.72 31.54 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.971 -0.559 . . . . 10.0 111.87 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -100.53 -44.24 2.18 Favored Glycine 0 N--CA 1.442 -0.95 0 N-CA-C 110.317 -1.113 . . . . 10.0 110.317 178.276 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 573' ' ' LEU . . . . . 0.467 ' O ' ' HG ' ' D' ' 577' ' ' LEU . 75.0 mt -64.7 -39.87 94.39 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 122.187 0.195 . . . . 10.0 111.374 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 74.4 mt -52.42 -61.21 4.86 Favored Pre-proline 0 CA--C 1.539 0.551 0 N-CA-C 112.655 0.613 . . . . 10.0 112.655 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -65.88 -33.39 43.02 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 121.864 1.709 . . . . 10.0 111.167 178.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 8.9 t -64.57 -39.5 85.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.485 -0.325 . . . . 10.0 110.273 178.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 577' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' D' ' 573' ' ' LEU . 78.9 mt -65.06 -42.62 94.05 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 109.782 -0.451 . . . . 10.0 109.782 178.371 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -64.03 -35.99 82.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.362 179.032 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 17.0 m -73.75 -35.73 65.05 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.799 -0.637 . . . . 10.0 109.475 178.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -68.01 -34.02 75.71 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 116.173 -0.467 . . . . 10.0 109.761 178.62 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -59.97 -36.79 77.89 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 115.889 -0.596 . . . . 10.0 109.7 178.423 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 60.9 t -62.17 -49.82 82.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 109.567 -0.531 . . . . 10.0 109.567 178.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.29 -27.27 67.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.709 -0.678 . . . . 10.0 111.261 179.549 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -76.28 -53.16 8.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.749 179.337 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 86.9 mt -56.06 -47.24 78.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.626 -0.716 . . . . 10.0 111.699 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 11.8 p -64.74 -45.97 84.2 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.769 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 587' ' ' ALA . . . . . 0.639 ' HA ' ' HE2' ' A' ' 396' ' ' LYS . . . -59.81 -52.84 63.74 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 116.244 -0.435 . . . . 10.0 111.093 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 588' ' ' LEU . . . . . 0.402 ' CD2' ' H50' ' D' ' 630' ' ' 17F . 81.2 mt -56.98 -44.26 82.5 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.976 -0.556 . . . . 10.0 111.366 -179.504 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -64.11 -53.85 43.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.325 -0.398 . . . . 10.0 111.193 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -62.26 -36.37 81.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.236 -0.438 . . . . 10.0 111.493 -179.477 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -65.28 -47.15 77.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.62 -0.264 . . . . 10.0 110.486 179.115 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 11.5 m -61.11 -33.04 72.75 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.055 0.455 . . . . 10.0 110.974 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -74.84 -41.3 60.13 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.062 0.458 . . . . 10.0 111.469 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 594' ' ' LYS . . . . . 0.521 ' HD3' ' HB3' ' A' ' 388' ' ' SER . 0.2 OUTLIER -79.78 -16.77 54.89 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.975 0.417 . . . . 10.0 111.632 -179.81 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 77.3 mt -112.67 30.62 6.98 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.149 0.499 . . . . 10.0 109.696 178.545 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.033 -0.53 . . . . 10.0 111.438 -179.667 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.235 0.313 0 CA-C-O 120.958 0.409 . . . . 10.0 110.817 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -73.31 135.87 44.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.76 -0.655 . . . . 10.0 109.852 179.717 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -104.92 139.86 39.02 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.526 -0.306 . . . . 10.0 110.81 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -133.92 123.29 24.44 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.52 -0.309 . . . . 10.0 110.317 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 39.1 mttm -92.59 112.15 24.0 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.4 -0.364 . . . . 10.0 110.428 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.421 HD22 ' HG ' ' B' ' 159' ' ' LEU . 15.4 mt -114.01 124.68 52.73 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.997 -178.704 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 7' ' ' VAL . . . . . 0.518 HG11 ' CD2' ' B' ' 71' ' ' TYR . 97.2 t -114.11 128.6 71.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.332 179.499 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.74 HG12 ' HD2' ' B' ' 16' ' ' LYS . 2.6 t -87.35 118.5 33.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.075 0.464 . . . . 10.0 109.999 179.778 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.407 HG23 ' HA ' ' B' ' 80' ' ' CYS . 9.9 m -115.46 151.31 17.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 120.904 0.383 . . . . 10.0 111.164 -179.203 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 148.36 -179.6 25.08 Favored Glycine 0 N--CA 1.442 -0.93 0 N-CA-C 110.601 -0.999 . . . . 10.0 110.601 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.31 -173.74 1.16 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.414 0.626 . . . . 10.0 111.485 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -102.41 139.9 37.41 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.624 -0.716 . . . . 10.0 109.871 179.034 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 13' ' ' GLY . . . . . 0.736 ' HA2' ' HE1' ' B' ' 32' ' ' TYR . . . 91.6 1.06 71.71 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.792 -0.718 . . . . 10.0 112.151 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 27.7 m -79.91 -23.85 11.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 111.545 0.202 . . . . 10.0 111.545 -179.634 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' GLY . . . . . 0.503 ' HA2' ' O1A' ' B' ' 201' ' ' GSP . . . 107.74 31.64 3.61 Favored Glycine 0 C--O 1.225 -0.407 0 C-N-CA 120.707 -0.759 . . . . 10.0 113.545 178.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.74 ' HD2' HG12 ' B' ' 8' ' ' VAL . 10.1 mtmm -65.53 -38.75 90.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.934 0.367 . . . . 10.0 110.384 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 2.9 m -74.02 -41.32 62.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.8 -0.636 . . . . 10.0 110.219 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.35 -45.7 80.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.973 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 89.6 mt -63.37 -44.94 93.31 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.361 -0.381 . . . . 10.0 110.987 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 41.3 m -64.69 -42.62 95.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.036 0.446 . . . . 10.0 110.781 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 78.6 mt -64.46 -34.93 72.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.839 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' GLN . . . . . 0.748 ' HB3' ' HG3' ' B' ' 149' ' ' ARG . 14.6 mm-40 -69.9 -12.76 61.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.2 0.524 . . . . 10.0 110.896 178.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.429 HD22 ' CD2' ' B' ' 156' ' ' PHE . 30.1 tp -100.36 -42.06 6.78 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.934 -0.576 . . . . 10.0 110.872 179.65 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 41.0 mm -84.8 -67.19 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.176 -0.466 . . . . 10.0 111.997 -179.363 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -76.26 -23.14 54.46 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.536 -0.302 . . . . 10.0 111.72 -179.028 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 29.7 m-80 68.25 50.08 0.78 Allowed 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 113.516 0.932 . . . . 10.0 113.516 178.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -162.25 166.52 25.33 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.916 -0.402 . . . . 10.0 109.916 178.535 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -105.51 141.75 36.44 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.077 0.465 . . . . 10.0 111.632 -179.154 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 2.2 m -115.56 127.75 73.03 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 CA-C-N 115.793 -0.64 . . . . 10.0 110.006 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -90.66 -19.0 24.11 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.439 0.638 . . . . 10.0 110.348 179.28 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -81.47 140.66 34.48 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.58 -0.736 . . . . 10.0 109.592 179.467 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' TYR . . . . . 0.739 ' CD1' H5'2 ' B' ' 201' ' ' GSP . 33.5 t80 -89.8 114.75 26.52 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.545 0.212 . . . . 10.0 110.453 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 33' ' ' ASP . . . . . 0.412 ' O ' ' S1G' ' B' ' 201' ' ' GSP . 8.6 t70 -113.4 101.2 53.3 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.081 179.069 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.27 115.2 2.21 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 123.083 2.522 . . . . 10.0 112.256 -179.485 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.408 ' OG1' ' O3G' ' B' ' 201' ' ' GSP . 0.3 OUTLIER -97.44 101.97 13.63 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.845 -179.704 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 31.5 mm -72.32 -52.64 22.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 108.987 -0.746 . . . . 10.0 108.987 179.354 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -165.58 95.04 0.62 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.091 -0.959 . . . . 10.0 109.392 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -133.98 138.41 45.42 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.655 -0.498 . . . . 10.0 109.655 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 28.9 p -124.98 155.21 40.0 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.5 0.556 . . . . 10.0 112.5 -178.403 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -135.7 152.21 50.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.949 -0.568 . . . . 10.0 109.89 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -122.96 134.7 54.33 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.692 0.282 . . . . 10.0 110.936 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 40.2 tttp -145.13 136.65 25.27 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.468 -0.333 . . . . 10.0 110.775 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -104.27 123.32 47.15 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.956 -0.757 . . . . 10.0 108.956 178.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 2.4 m -134.2 166.31 29.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 112.729 0.64 . . . . 10.0 112.729 -177.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 14.9 t -105.44 92.34 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.323 -0.853 . . . . 10.0 109.609 179.154 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 35.3 mt -103.53 122.87 56.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.662 -0.244 . . . . 10.0 110.673 -178.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 59.63 20.56 9.17 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.917 -0.583 . . . . 10.0 112.039 179.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.72 3.14 64.54 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.868 -0.682 . . . . 10.0 112.345 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -109.15 120.76 43.49 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.808 0.337 . . . . 10.0 111.036 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 6.1 m -78.83 108.89 12.61 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.201 -1.037 . . . . 10.0 108.201 178.038 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -126.89 159.77 32.95 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.632 0.605 . . . . 10.0 112.632 -177.428 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 41.7 tp -107.48 122.68 47.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.377 -0.829 . . . . 10.0 109.103 179.138 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 35.3 mt -100.21 129.21 46.2 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 112.251 0.463 . . . . 10.0 112.251 -178.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -104.3 98.59 8.36 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.466 -1.309 . . . . 10.0 107.466 178.435 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 6.9 mt -98.88 136.77 28.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.36 -0.382 . . . . 10.0 111.972 -177.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 49.2 tp -136.73 118.35 14.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.05 -0.523 . . . . 10.0 111.064 179.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' ASP . . . . . 0.481 ' OD1' ' HE2' ' B' ' 16' ' ' LYS . 16.0 t0 -98.68 132.87 43.73 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 109.59 -0.522 . . . . 10.0 109.59 178.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 58' ' ' THR . . . . . 0.524 HG21 ' CE1' ' B' ' 71' ' ' TYR . 0.9 OUTLIER -121.26 153.76 37.24 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.084 0.468 . . . . 10.0 111.914 -179.352 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.69 125.7 26.09 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.704 -0.68 . . . . 10.0 111.383 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -96.83 31.19 7.85 Favored Glycine 0 N--CA 1.451 -0.364 0 N-CA-C 110.562 -1.015 . . . . 10.0 110.562 179.477 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -88.89 13.29 13.02 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.453 -0.374 . . . . 10.0 111.363 -179.428 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.447 ' HB3' ' H ' ' B' ' 63' ' ' GLU . 58.4 mm-40 59.33 -161.98 0.25 Allowed 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.654 -0.703 . . . . 10.0 111.894 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.447 ' H ' ' HB3' ' B' ' 62' ' ' GLU . 4.9 tm-20 73.13 -42.33 0.53 Allowed 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.677 0.61 . . . . 10.0 111.76 179.342 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 64' ' ' TYR . . . . . 0.687 ' HB3' ' HB3' ' B' ' 67' ' ' MET . 33.3 m-85 -75.28 65.63 1.64 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.847 0.356 . . . . 10.0 111.46 -179.611 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.9 -50.5 28.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.174 0.511 . . . . 10.0 110.692 179.664 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.7 -21.62 63.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.656 -0.702 . . . . 10.0 111.532 -179.279 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 67' ' ' MET . . . . . 0.687 ' HB3' ' HB3' ' B' ' 64' ' ' TYR . 37.9 ttp -79.97 -20.86 44.56 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.006 0.432 . . . . 10.0 110.238 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 68' ' ' ARG . . . . . 0.53 ' HG3' ' OH ' ' B' ' 71' ' ' TYR . 1.7 ttp180 -70.64 -49.1 51.09 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.972 -0.558 . . . . 10.0 111.311 -179.616 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.468 ' O ' ' HG3' ' B' ' 73' ' ' ARG . 0.9 OUTLIER -51.11 -39.43 56.15 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.548 -179.565 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -49.83 -61.85 1.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.339 -0.846 . . . . 10.0 112.669 -179.136 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 71' ' ' TYR . . . . . 0.53 ' OH ' ' HG3' ' B' ' 68' ' ' ARG . 42.0 p90 -79.05 -19.3 51.74 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 113.466 0.913 . . . . 10.0 113.466 -178.688 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 72' ' ' MET . . . . . 0.512 ' HA ' ' HZ ' ' B' ' 78' ' ' PHE . 43.8 mtt -65.07 -30.09 71.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.038 0.447 . . . . 10.0 111.32 179.63 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 73' ' ' ARG . . . . . 0.468 ' HG3' ' O ' ' B' ' 69' ' ' ASP . 71.5 mtt180 -72.32 -41.89 66.02 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.512 -0.313 . . . . 10.0 111.02 179.371 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 35.2 m -78.63 -42.64 28.29 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.632 0.604 . . . . 10.0 112.632 -178.313 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -56.16 124.35 34.13 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.981 -0.628 . . . . 10.0 113.0 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -89.94 -40.32 12.45 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.036 0.446 . . . . 10.0 110.144 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -122.19 130.28 7.92 Favored Glycine 0 N--CA 1.442 -0.922 0 N-CA-C 110.56 -1.016 . . . . 10.0 110.56 179.019 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 78' ' ' PHE . . . . . 0.643 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 92.2 m-85 -110.31 122.48 47.77 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.544 0.688 . . . . 10.0 111.668 -179.01 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.473 HD23 HG13 ' B' ' 8' ' ' VAL . 20.0 tp -95.85 100.72 12.38 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.471 -0.786 . . . . 10.0 109.879 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 80' ' ' CYS . . . . . 0.407 ' HA ' HG23 ' B' ' 9' ' ' VAL . 0.5 OUTLIER -83.43 107.8 16.17 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.396 -0.365 . . . . 10.0 110.294 179.246 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 81' ' ' VAL . . . . . 0.472 ' HA ' ' O ' ' B' ' 114' ' ' VAL . 72.4 t -112.4 123.91 68.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.038 0.447 . . . . 10.0 111.037 -179.186 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 42.1 p90 -122.84 165.26 16.94 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.16 -0.682 . . . . 10.0 109.16 179.105 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.518 ' HB3' ' HB3' ' B' ' 86' ' ' ASN . . . -103.09 130.26 50.19 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.808 -0.441 . . . . 10.0 109.808 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 84' ' ' ILE . . . . . 0.668 HD13 ' HA ' ' B' ' 118' ' ' CYS . 29.5 pt -64.5 -16.88 20.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 111.855 0.317 . . . . 10.0 111.855 -179.478 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 23.2 p-10 -104.66 13.88 30.77 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.19 0.519 . . . . 10.0 110.365 179.435 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.518 ' HB3' ' HB3' ' B' ' 83' ' ' ALA . 17.6 t-20 -138.57 87.29 2.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.598 -0.728 . . . . 10.0 109.815 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.55 -29.77 66.62 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.999 -0.546 . . . . 10.0 112.255 -179.64 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 24.6 tptp -60.2 -45.06 94.45 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.407 -0.361 . . . . 10.0 110.58 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 93.1 p -64.77 -30.39 71.4 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-O 120.863 0.363 . . . . 10.0 110.645 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -70.83 -39.69 72.87 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.424 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -70.24 -32.51 70.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.476 179.243 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -68.25 -21.17 64.84 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.888 -0.596 . . . . 10.0 112.371 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 47.9 mm -56.99 -46.36 84.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.66 0.267 . . . . 10.0 111.126 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -63.18 -36.47 83.74 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.044 0.45 . . . . 10.0 111.089 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 60.2 m80 -66.53 -41.91 88.02 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.978 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -71.49 -42.25 68.3 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.119 -0.492 . . . . 10.0 110.025 179.42 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 97' ' ' ARG . . . . . 0.44 ' HD3' ' HE2' ' B' ' 101' ' ' LYS . 2.9 tmt_? -56.06 -48.91 75.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.841 -0.618 . . . . 10.0 111.484 -179.455 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -65.28 -35.38 80.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.642 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -69.71 -45.03 69.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.472 -0.331 . . . . 10.0 111.08 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 100' ' ' ILE . . . . . 0.431 HG13 ' HE1' ' B' ' 72' ' ' MET . 94.7 mt -55.49 -47.2 78.76 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.027 179.522 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 101' ' ' LYS . . . . . 0.463 ' HB2' ' HE3' ' B' ' 101' ' ' LYS . 30.6 mtmt -64.57 -24.74 67.7 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.554 -0.748 . . . . 10.0 112.022 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 25.6 ttm180 -77.21 -47.41 20.3 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.89 0.376 . . . . 10.0 110.309 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 39.5 t -63.79 -45.19 97.9 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 CA-C-N 115.773 -0.649 . . . . 10.0 111.058 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 104' ' ' LYS . . . . . 0.47 ' HD2' ' HE2' ' B' ' 78' ' ' PHE . 26.7 mtpp -80.29 -16.74 53.96 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.65 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 26.8 t70 54.14 66.44 1.23 Allowed 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.288 -0.869 . . . . 10.0 111.37 -179.551 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 34.8 t -171.66 140.77 1.37 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.511 -0.768 . . . . 10.0 110.282 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -83.7 -18.85 36.53 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.191 -0.67 . . . . 10.0 109.191 178.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -96.98 85.74 3.82 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.688 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 73.5 t -122.61 119.55 28.18 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 116.185 -0.462 . . . . 10.0 109.935 179.546 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -58.08 110.9 0.7 Allowed 'Trans proline' 0 C--O 1.237 0.458 0 C-N-CA 123.014 2.476 . . . . 10.0 111.664 179.435 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 111' ' ' MET . . . . . 0.643 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 50.9 mtm -142.64 147.32 35.58 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.635 -0.711 . . . . 10.0 110.171 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 88.8 t -130.66 126.2 60.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 109.506 -0.553 . . . . 10.0 109.506 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 21.0 tp -85.07 112.11 20.36 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.833 -0.432 . . . . 10.0 109.833 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 114' ' ' VAL . . . . . 0.472 ' O ' ' HA ' ' B' ' 81' ' ' VAL . 99.1 t -123.35 130.99 73.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.193 -178.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -101.64 134.22 11.65 Favored Glycine 0 N--CA 1.442 -0.934 0 N-CA-C 110.567 -1.013 . . . . 10.0 110.567 178.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -106.51 164.78 11.78 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.87 0.335 . . . . 10.0 110.445 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 117' ' ' LYS . . . . . 0.686 ' HB3' HD12 ' B' ' 120' ' ' LEU . 82.9 mttt 65.18 28.25 12.16 Favored 'General case' 0 N--CA 1.463 0.211 0 O-C-N 123.722 0.639 . . . . 10.0 111.625 179.579 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 118' ' ' CYS . . . . . 0.668 ' HA ' HD13 ' B' ' 84' ' ' ILE . 60.3 m -66.62 -10.74 48.9 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 112.754 0.65 . . . . 10.0 112.754 -179.504 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -91.2 -4.87 55.67 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.897 0.38 . . . . 10.0 110.824 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 120' ' ' LEU . . . . . 0.686 HD12 ' HB3' ' B' ' 117' ' ' LYS . 14.1 mt -80.95 129.58 67.01 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.75 179.599 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 121' ' ' PRO . . . . . 0.499 ' HD3' ' HA ' ' B' ' 120' ' ' LEU . 14.9 Cg_exo -69.17 153.49 71.56 Favored 'Trans proline' 0 C--O 1.235 0.325 0 C-N-CA 123.008 2.472 . . . . 10.0 112.092 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 7.4 m 61.5 76.79 0.35 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.676 -0.693 . . . . 10.0 111.988 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 123' ' ' ARG . . . . . 0.593 ' HB3' HD12 ' B' ' 84' ' ' ILE . 6.4 ptp180 -86.48 159.95 19.15 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.768 -0.651 . . . . 10.0 111.014 -179.658 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.38 -39.45 5.66 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.119 -0.491 . . . . 10.0 109.691 178.754 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 125' ' ' VAL . . . . . 0.561 ' O ' ' HD3' ' B' ' 123' ' ' ARG . 61.6 t -89.64 118.82 35.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 109.231 -0.655 . . . . 10.0 109.231 178.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 126' ' ' ASP . . . . . 0.6 ' O ' ' HG2' ' B' ' 129' ' ' GLN . 11.6 t70 -82.0 137.76 35.04 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.708 -179.406 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 11.3 m -56.62 -36.55 69.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.066 0.46 . . . . 10.0 111.312 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.14 -49.39 74.07 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.667 -0.697 . . . . 10.0 111.259 -179.754 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 129' ' ' GLN . . . . . 0.6 ' HG2' ' O ' ' B' ' 126' ' ' ASP . 3.1 pt20 -70.54 -34.65 72.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.048 0.451 . . . . 10.0 111.666 -179.241 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.79 -41.19 88.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.563 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -71.3 -31.45 67.45 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.926 -0.579 . . . . 10.0 110.47 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -64.06 -40.06 95.44 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 109.47 -0.567 . . . . 10.0 109.47 178.602 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 23.3 tp -67.78 -40.65 83.95 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.851 -0.613 . . . . 10.0 109.588 178.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.75 -37.0 85.72 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.086 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 135' ' ' ARG . . . . . 0.572 ' HG3' ' HG2' ' C' ' 161' ' ' ARG . 0.3 OUTLIER -64.1 -42.36 96.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.476 179.41 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 23.9 m -70.96 -17.28 62.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.458 0.647 . . . . 10.0 110.911 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 9.6 m-30 -90.46 -39.77 12.42 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.528 -0.76 . . . . 10.0 109.596 178.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 95.12 15.89 43.09 Favored Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 110.723 -0.951 . . . . 10.0 110.723 -179.144 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 47.4 pt -114.01 157.74 41.22 Favored Pre-proline 0 C--N 1.321 -0.638 0 N-CA-C 110.167 -0.308 . . . . 10.0 110.167 -179.102 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo -74.94 149.27 36.74 Favored 'Trans proline' 0 C--O 1.236 0.422 0 C-N-CA 122.784 2.323 . . . . 10.0 112.575 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -119.42 134.59 55.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.767 -0.651 . . . . 10.0 109.52 179.423 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 142' ' ' ILE . . . . . 0.409 ' CD1' ' HA ' ' B' ' 155' ' ' ALA . 26.9 mt -133.32 137.05 53.99 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 CA-C-O 120.99 0.424 . . . . 10.0 111.739 -179.239 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -99.23 121.55 41.21 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 108.594 -0.891 . . . . 10.0 108.594 178.563 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 144' ' ' THR . . . . . 0.505 HG22 ' HA3' ' B' ' 151' ' ' GLY . 72.0 p -134.28 179.24 6.39 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.564 0.697 . . . . 10.0 112.545 -178.079 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 3.0 t -153.21 126.15 8.4 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.822 -1.081 . . . . 10.0 108.429 178.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 146' ' ' ALA . . . . . 0.534 ' HB3' ' N7 ' ' B' ' 201' ' ' GSP . . . -78.54 -30.51 47.01 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.915 -0.402 . . . . 10.0 109.915 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -63.11 -35.45 80.32 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.673 -0.694 . . . . 10.0 111.136 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 32.2 p -104.85 -11.66 16.65 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 121.02 -0.272 . . . . 10.0 111.558 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 149' ' ' ARG . . . . . 0.748 ' HG3' ' HB3' ' B' ' 22' ' ' GLN . 2.8 ttt-85 63.7 25.38 14.2 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.196 0.522 . . . . 10.0 111.127 -178.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -91.57 129.65 37.51 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.238 -179.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 151' ' ' GLY . . . . . 0.505 ' HA3' HG22 ' B' ' 144' ' ' THR . . . 85.63 -8.87 70.21 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.992 -0.623 . . . . 10.0 112.208 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 54.7 t -56.22 -42.28 72.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.015 0.436 . . . . 10.0 111.369 -179.434 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -67.54 -50.37 58.97 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.779 0.323 . . . . 10.0 111.025 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -56.3 -41.1 75.39 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.887 -0.597 . . . . 10.0 111.892 -178.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 155' ' ' ALA . . . . . 0.409 ' HA ' ' CD1' ' B' ' 142' ' ' ILE . . . -59.1 -53.9 53.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.964 -0.562 . . . . 10.0 111.568 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 156' ' ' PHE . . . . . 0.429 ' CD2' HD22 ' B' ' 23' ' ' LEU . 18.7 m-85 -68.58 -35.74 77.78 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.223 -0.444 . . . . 10.0 112.186 -178.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -61.12 -45.3 95.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.073 0.463 . . . . 10.0 110.578 179.191 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 22.8 m -69.18 -34.09 74.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.817 -0.628 . . . . 10.0 110.791 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 159' ' ' LEU . . . . . 0.421 ' HG ' HD22 ' B' ' 6' ' ' LEU . 32.9 tp -60.02 -42.74 95.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.023 -0.535 . . . . 10.0 111.314 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 62.8 t -74.39 -40.57 49.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.717 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 161' ' ' ARG . . . . . 0.891 ' HG2' ' HG3' ' C' ' 135' ' ' ARG . 7.5 ttp180 -57.5 -37.11 72.45 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.454 -0.794 . . . . 10.0 111.75 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -62.77 -37.17 85.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.386 -0.37 . . . . 10.0 110.837 179.408 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 163' ' ' ILE . . . . . 0.444 ' O ' ' HG3' ' B' ' 167' ' ' LYS . 59.2 mt -65.42 -42.63 93.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 N-CA-C 109.327 -0.62 . . . . 10.0 109.327 179.348 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 -60.94 -41.74 96.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 10.0 109.713 178.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 165' ' ' LYS . . . . . 0.47 ' HB2' ' HD3' ' C' ' 135' ' ' ARG . 34.7 ttmt -60.22 -47.38 86.2 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.537 -0.756 . . . . 10.0 110.327 179.326 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 11.2 t-160 -61.93 -46.68 88.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.846 -0.615 . . . . 10.0 111.519 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 167' ' ' LYS . . . . . 0.444 ' HG3' ' O ' ' B' ' 163' ' ' ILE . 61.8 mttt -63.1 -39.04 93.54 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.796 0.295 . . . . 10.0 111.796 -179.394 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -69.53 -43.03 73.83 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.18 0.514 . . . . 10.0 109.965 179.046 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 45.3 tttm -62.57 -35.42 79.43 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.386 -0.824 . . . . 10.0 111.605 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 82.4 mmm -67.43 -21.83 65.54 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.453 -0.339 . . . . 10.0 111.377 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 49.9 m -80.34 -16.84 53.64 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 121.426 0.631 . . . . 10.0 109.992 178.477 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -88.99 -33.87 17.04 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.636 -0.876 . . . . 10.0 108.636 178.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 173' ' ' ASP . . . . . . . . . . . . . 2.3 t70 68.8 -173.93 0.19 Allowed 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.356 -0.838 . . . . 10.0 110.097 -179.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . -78.16 -37.27 29.03 Favored Glycine 0 N--CA 1.451 -0.324 0 N-CA-C 109.602 -1.399 . . . . 10.0 109.602 178.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 175' ' ' LYS . . . . . 0.754 ' HB3' ' H1 ' ' C' ' 215' ' ' 17F . 3.0 ttmm -177.5 -162.24 0.07 Allowed 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 107.56 -1.274 . . . . 10.0 107.56 179.393 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 176' ' ' LYS . . . . . 0.638 ' HE3' ' O1 ' ' C' ' 215' ' ' 17F . 20.4 ttmt 69.24 -67.91 0.2 Allowed 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 122.726 0.41 . . . . 10.0 111.844 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 177' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -75.58 -80.08 0.09 Allowed 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.443 0.534 . . . . 10.0 112.443 -178.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 178' ' ' LYS . . . . . 0.401 ' HE3' ' H6 ' ' B' ' 210' ' ' 17F . 0.0 OUTLIER 64.31 53.05 1.78 Allowed 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 120.998 0.428 . . . . 10.0 110.856 -178.699 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 179' ' ' LYS . . . . . 0.811 ' HG3' ' H12' ' B' ' 207' ' ' PCW . 57.5 tttt -68.88 -56.91 6.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.002 -0.545 . . . . 10.0 111.557 -178.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 180' ' ' LYS . . . . . 0.426 ' HD3' ' HA ' ' B' ' 180' ' ' LYS . 24.8 mmtp -89.44 63.45 6.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.021 0.439 . . . . 10.0 111.842 -179.447 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 69.1 m -83.17 116.91 22.57 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.915 -0.584 . . . . 10.0 111.327 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 182' ' ' LYS . . . . . 0.441 ' HE3' ' HB2' ' B' ' 182' ' ' LYS . 31.3 ttmt -97.49 72.31 2.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.985 -0.552 . . . . 10.0 109.965 -179.735 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 183' ' ' THR . . . . . 0.976 ' HB ' ' H73' ' A' ' 409' ' ' PCW . 1.7 p -100.52 -179.83 4.22 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.837 -0.619 . . . . 10.0 110.824 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 184' ' ' LYS . . . . . 0.435 ' N ' ' C7 ' ' A' ' 409' ' ' PCW . 27.3 mttt . . . . . 0 C--O 1.237 0.4 0 CA-C-O 120.746 0.308 . . . . 10.0 111.318 -178.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 4.2 m . . . . . 0 N--CA 1.45 -0.43 0 CA-C-O 120.739 0.304 . . . . 10.0 110.351 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -81.17 129.76 34.72 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.365 -0.38 . . . . 10.0 110.646 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -90.19 138.86 31.18 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.916 -0.402 . . . . 10.0 109.916 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -133.78 120.55 20.66 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 110.096 -0.335 . . . . 10.0 110.096 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 5' ' ' LYS . . . . . 0.49 ' HA ' ' HB3' ' C' ' 54' ' ' ASP . 58.1 mttm -85.53 106.09 16.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.948 0.404 . . . . 10.0 111.063 -179.247 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 6' ' ' LEU . . . . . 0.458 ' O ' ' HA ' ' C' ' 55' ' ' ILE . 44.2 mt -106.68 118.62 37.15 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.687 -0.688 . . . . 10.0 110.781 -179.119 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 58.1 t -106.63 128.35 61.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.544 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.686 HG12 ' HD2' ' C' ' 16' ' ' LYS . 4.6 t -93.45 119.65 41.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 109.627 -0.508 . . . . 10.0 109.627 179.465 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 7.0 m -116.94 140.98 37.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.959 0.409 . . . . 10.0 111.154 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 166.57 168.23 28.44 Favored Glycine 0 N--CA 1.444 -0.809 0 C-N-CA 120.598 -0.811 . . . . 10.0 111.464 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.39 -164.93 0.09 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.732 0.777 . . . . 10.0 112.805 -179.118 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -86.02 142.96 28.38 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.395 -0.82 . . . . 10.0 111.976 -179.403 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 13' ' ' GLY . . . . . 0.949 ' HA2' H5'1 ' C' ' 201' ' ' GSP . . . 59.35 30.47 67.91 Favored Glycine 0 N--CA 1.448 -0.543 0 CA-C-N 115.493 -0.776 . . . . 10.0 114.663 178.666 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 22.4 m -89.76 -28.33 5.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 117.634 0.717 . . . . 10.0 111.663 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 15' ' ' GLY . . . . . 0.712 ' HA2' ' H8 ' ' C' ' 201' ' ' GSP . . . 118.82 18.89 4.6 Favored Glycine 0 C--O 1.227 -0.284 0 C-N-CA 120.654 -0.784 . . . . 10.0 114.243 178.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 16' ' ' LYS . . . . . 0.686 ' HD2' HG12 ' C' ' 8' ' ' VAL . 15.5 mtmm -62.03 -42.94 99.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.398 0.618 . . . . 10.0 111.024 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 17' ' ' SER . . . . . 0.516 ' HB2' ' O1A' ' C' ' 201' ' ' GSP . 24.5 m -72.87 -43.56 62.39 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.916 -0.583 . . . . 10.0 110.06 179.697 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.76 -47.21 83.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.356 -0.384 . . . . 10.0 111.413 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 19' ' ' LEU . . . . . 0.403 HD23 HG22 ' C' ' 152' ' ' VAL . 36.0 mt -59.73 -47.89 83.85 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.984 0.421 . . . . 10.0 110.77 179.569 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 11.8 m -65.85 -49.16 69.15 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 115.603 -0.726 . . . . 10.0 112.205 -179.296 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 88.7 mt -60.48 -39.19 80.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.034 0.445 . . . . 10.0 110.891 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 22' ' ' GLN . . . . . 0.572 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 1.7 mm100 -69.01 -15.02 63.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.17 -0.468 . . . . 10.0 111.524 179.436 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 18.4 tp -97.94 -37.38 9.82 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.172 0.511 . . . . 10.0 110.871 179.486 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 41.7 mm -79.13 -63.61 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.077 -0.51 . . . . 10.0 111.347 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 25' ' ' GLN . . . . . 0.42 ' HB2' ' HD2' ' C' ' 27' ' ' HIS . 69.4 mt-30 -89.06 -18.01 28.16 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.715 0.265 . . . . 10.0 111.715 -179.09 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 26' ' ' ASN . . . . . 0.572 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 24.5 m-80 67.67 40.96 2.37 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 113.583 0.957 . . . . 10.0 113.583 178.769 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 27' ' ' HIS . . . . . 0.42 ' HD2' ' HB2' ' C' ' 25' ' ' GLN . 3.9 p80 -141.75 152.19 43.57 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.15 -0.477 . . . . 10.0 109.893 178.422 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -104.49 130.54 52.41 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.966 0.412 . . . . 10.0 110.813 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 2.9 m -96.24 145.46 8.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.02 -0.537 . . . . 10.0 110.203 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -101.43 -17.34 16.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.317 0.579 . . . . 10.0 110.186 179.006 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -92.23 140.28 29.77 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.461 -0.79 . . . . 10.0 110.289 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 32' ' ' TYR . . . . . 0.603 ' CE1' H5'2 ' C' ' 201' ' ' GSP . 5.5 t80 -86.98 119.79 27.56 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.997 -0.547 . . . . 10.0 111.131 -179.651 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 33' ' ' ASP . . . . . 0.404 ' HA ' ' HD3' ' C' ' 34' ' ' PRO . 19.1 t70 -111.74 115.06 51.61 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.218 -0.447 . . . . 10.0 110.362 178.605 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 34' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' C' ' 33' ' ' ASP . 22.1 Cg_exo -66.27 100.86 0.48 Allowed 'Trans proline' 0 N--CA 1.462 -0.357 0 C-N-CA 122.551 2.167 . . . . 10.0 111.466 179.655 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -88.5 132.95 34.29 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.344 179.688 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 36' ' ' ILE . . . . . 0.717 ' HA ' ' HB2' ' C' ' 59' ' ' ALA . 48.0 mm -104.78 -58.04 4.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.028 -0.73 . . . . 10.0 109.028 178.401 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -152.01 89.79 1.48 Allowed 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.713 -0.676 . . . . 10.0 110.24 179.251 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -128.16 130.18 47.66 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 110.055 -0.35 . . . . 10.0 110.055 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 22.6 p -120.48 151.92 38.7 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.22 0.533 . . . . 10.0 112.425 -178.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -133.07 154.67 50.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.741 -0.663 . . . . 10.0 109.405 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -123.4 124.14 42.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.967 0.413 . . . . 10.0 111.068 -179.335 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -137.34 135.19 36.83 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.458 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -110.18 114.15 27.41 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.06 0.457 . . . . 10.0 110.477 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 5.9 m -127.27 169.03 19.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.967 -0.56 . . . . 10.0 111.129 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 47.0 t -96.93 99.79 9.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.938 0.399 . . . . 10.0 110.412 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 49.6 mt -107.25 119.81 57.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.299 -0.41 . . . . 10.0 110.794 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 66.93 8.35 6.02 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.249 -0.887 . . . . 10.0 112.24 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 111.68 -18.66 24.51 Favored Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.701 -0.762 . . . . 10.0 112.539 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 49' ' ' GLU . . . . . 0.483 ' HB3' ' NH2' ' C' ' 164' ' ' ARG . 45.1 tt0 -104.6 137.22 42.76 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.607 0.242 . . . . 10.0 110.47 -179.613 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -69.71 127.13 31.87 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.673 -0.491 . . . . 10.0 109.673 179.279 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 9.1 m -125.16 135.2 52.4 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 112.065 0.395 . . . . 10.0 112.065 -178.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 53.2 tp -94.84 104.43 16.33 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.077 -1.083 . . . . 10.0 108.077 178.428 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 32.1 mt -82.45 116.25 21.82 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 112.628 0.603 . . . . 10.0 112.628 -177.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 54' ' ' ASP . . . . . 0.49 ' HB3' ' HA ' ' C' ' 5' ' ' LYS . 32.7 t70 -98.59 88.85 4.2 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 107.436 -1.32 . . . . 10.0 107.436 177.339 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 55' ' ' ILE . . . . . 0.458 ' HA ' ' O ' ' C' ' 6' ' ' LEU . 21.3 mt -93.61 135.1 29.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.765 -0.652 . . . . 10.0 111.736 -177.643 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 22.5 tp -133.33 122.77 24.3 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.88 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 57' ' ' ASP . . . . . 0.57 ' OD1' ' HE2' ' C' ' 16' ' ' LYS . 24.5 t0 -87.25 132.65 33.84 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 109.215 -0.661 . . . . 10.0 109.215 178.618 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 44.8 p -103.16 149.99 24.1 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.92 0.39 . . . . 10.0 111.427 -178.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 59' ' ' ALA . . . . . 0.717 ' HB2' ' HA ' ' C' ' 36' ' ' ILE . . . -69.27 111.93 5.51 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.356 179.123 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -85.4 25.76 6.14 Favored Glycine 0 C--O 1.23 -0.121 0 C-N-CA 120.839 -0.696 . . . . 10.0 112.983 -179.271 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -95.18 6.81 48.02 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.529 0.204 . . . . 10.0 110.973 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 62' ' ' GLU . . . . . 0.452 ' HA ' ' OE1' ' C' ' 62' ' ' GLU . 0.7 OUTLIER 62.59 -148.76 0.36 Allowed 'General case' 0 C--O 1.236 0.367 0 N-CA-C 109.46 -0.57 . . . . 10.0 109.46 -178.678 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 72.28 -49.29 0.69 Allowed 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 112.604 0.594 . . . . 10.0 112.604 178.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 64' ' ' TYR . . . . . 0.736 ' HB3' ' HB3' ' C' ' 67' ' ' MET . 54.8 m-85 -75.93 70.71 2.69 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.597 0.592 . . . . 10.0 112.597 -178.696 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.18 -25.66 52.07 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.925 0.393 . . . . 10.0 110.721 179.477 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -91.83 -35.99 13.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.495 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 67' ' ' MET . . . . . 0.736 ' HB3' ' HB3' ' C' ' 64' ' ' TYR . 34.7 ttp -67.16 -25.56 66.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.387 0.613 . . . . 10.0 110.928 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 68' ' ' ARG . . . . . 0.606 ' HA ' ' CZ ' ' C' ' 71' ' ' TYR . 0.2 OUTLIER -66.07 -31.24 72.0 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.668 -0.697 . . . . 10.0 111.477 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -59.31 -36.41 75.57 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 112.746 0.647 . . . . 10.0 112.746 -178.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -64.25 -59.83 3.93 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 113.138 0.792 . . . . 10.0 113.138 -178.297 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 71' ' ' TYR . . . . . 0.606 ' CZ ' ' HA ' ' C' ' 68' ' ' ARG . 7.8 p90 -69.06 -21.92 64.06 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.043 1.127 . . . . 10.0 114.043 -178.615 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 72' ' ' MET . . . . . 0.605 ' HE1' HG13 ' C' ' 100' ' ' ILE . 26.6 mtt -72.91 -28.93 62.75 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.122 0.487 . . . . 10.0 111.127 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 36.7 ttm105 -86.12 -35.34 20.25 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.419 179.243 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 3.3 m -79.5 -23.22 43.11 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.806 -0.634 . . . . 10.0 111.836 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -82.08 143.99 23.44 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.595 -0.812 . . . . 10.0 113.588 -179.336 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -102.09 -54.13 2.77 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.307 0.575 . . . . 10.0 109.791 179.389 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -106.34 132.28 11.05 Favored Glycine 0 N--CA 1.445 -0.703 0 N-CA-C 110.816 -0.914 . . . . 10.0 110.816 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 78' ' ' PHE . . . . . 0.701 ' HB2' ' HG2' ' C' ' 111' ' ' MET . 97.6 m-85 -113.96 124.4 52.08 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.182 0.515 . . . . 10.0 111.939 -179.255 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 16.8 tp -98.81 107.82 20.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.747 -0.66 . . . . 10.0 109.963 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 80' ' ' CYS . . . . . 0.615 ' HB3' HD12 ' C' ' 93' ' ' ILE . 4.2 m -82.85 92.76 7.34 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.45 -179.57 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 62.7 t -95.22 130.28 44.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.087 0.47 . . . . 10.0 111.543 -179.421 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 82' ' ' PHE . . . . . 0.594 ' HB2' ' HB2' ' C' ' 89' ' ' SER . 29.4 p90 -144.22 147.85 34.16 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.697 -0.683 . . . . 10.0 109.847 178.712 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -88.0 134.37 33.75 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.489 -0.323 . . . . 10.0 110.168 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 84' ' ' ILE . . . . . . . . . . . . . 29.6 pt -69.0 -15.73 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.953 0.406 . . . . 10.0 111.858 -179.501 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 26.4 p-10 -104.15 22.47 14.67 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.45 0.643 . . . . 10.0 110.056 179.318 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 86' ' ' ASN . . . . . 0.536 ' OD1' ' HB3' ' C' ' 88' ' ' LYS . 38.0 t-20 -147.13 99.39 3.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.609 -0.723 . . . . 10.0 110.518 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 1.8 m -63.46 -26.89 68.93 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.003 -0.544 . . . . 10.0 111.932 -179.317 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 88' ' ' LYS . . . . . 0.536 ' HB3' ' OD1' ' C' ' 86' ' ' ASN . 21.6 tptp -57.51 -49.38 76.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.682 -0.236 . . . . 10.0 110.52 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 89' ' ' SER . . . . . 0.594 ' HB2' ' HB2' ' C' ' 82' ' ' PHE . 0.1 OUTLIER -66.89 -27.2 67.32 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.052 -0.522 . . . . 10.0 111.918 -179.887 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -69.41 -49.58 53.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.834 0.349 . . . . 10.0 111.258 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -74.34 -23.86 59.1 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.362 -0.381 . . . . 10.0 111.034 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 92' ' ' ASP . . . . . 0.435 ' O ' ' HD2' ' C' ' 96' ' ' TYR . 3.1 m-20 -64.92 -25.73 68.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.913 -0.585 . . . . 10.0 111.466 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 93' ' ' ILE . . . . . 0.615 HD12 ' HB3' ' C' ' 80' ' ' CYS . 36.8 mm -54.93 -41.7 59.59 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 CA-C-O 120.962 0.411 . . . . 10.0 110.653 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -61.46 -43.77 98.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.937 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 60.8 m-70 -62.97 -43.12 99.65 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.618 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 96' ' ' TYR . . . . . 0.435 ' HD2' ' O ' ' C' ' 92' ' ' ASP . 31.2 m-85 -64.84 -44.36 90.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.622 179.521 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 35.0 ttt-85 -56.88 -45.13 82.73 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 116.303 -0.408 . . . . 10.0 111.389 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -64.12 -43.73 94.42 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.464 -0.335 . . . . 10.0 111.075 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 99' ' ' GLN . . . . . 0.401 ' O ' HG23 ' C' ' 103' ' ' VAL . 42.8 tt0 -64.04 -43.53 95.27 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.927 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 100' ' ' ILE . . . . . 0.605 HG13 ' HE1' ' C' ' 72' ' ' MET . 77.0 mt -60.56 -50.38 80.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.085 0.469 . . . . 10.0 110.284 179.607 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 101' ' ' LYS . . . . . 0.489 ' HD2' ' HA ' ' C' ' 107' ' ' GLU . 5.2 mtmp? -63.98 -28.31 69.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.876 -0.602 . . . . 10.0 111.796 -179.6 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 14.0 ttm180 -75.13 -48.95 21.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.575 179.318 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 103' ' ' VAL . . . . . 0.401 HG23 ' O ' ' C' ' 99' ' ' GLN . 87.2 t -63.48 -48.06 88.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.881 -179.464 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -77.55 -15.68 59.11 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.803 0.335 . . . . 10.0 111.411 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 28.6 t70 57.34 53.44 7.59 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.518 -0.764 . . . . 10.0 111.207 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 15.9 t -161.05 143.04 12.18 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.507 -0.77 . . . . 10.0 109.97 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 107' ' ' GLU . . . . . 0.489 ' HA ' ' HD2' ' C' ' 101' ' ' LYS . 1.3 tp10 -85.1 -24.21 28.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.155 179.715 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -96.25 96.61 8.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.177 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 60.6 t -130.59 129.75 22.8 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.135 -0.484 . . . . 10.0 109.913 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -62.56 99.72 0.21 Allowed 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.602 2.202 . . . . 10.0 111.928 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 111' ' ' MET . . . . . 0.701 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 85.2 mtp -132.24 144.08 50.37 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.214 -179.576 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 68.9 t -129.28 132.12 67.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.311 -0.404 . . . . 10.0 110.547 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 19.8 tp -87.31 120.68 28.85 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.742 -0.466 . . . . 10.0 109.742 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 4.7 t -123.79 118.66 54.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 112.598 0.592 . . . . 10.0 112.598 -179.219 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -93.34 127.32 8.97 Favored Glycine 0 N--CA 1.443 -0.874 0 N-CA-C 109.188 -1.565 . . . . 10.0 109.188 177.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 116' ' ' ASN . . . . . 0.414 ' ND2' ' HA3' ' C' ' 15' ' ' GLY . 65.7 t30 -112.86 164.92 12.83 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 112.493 0.553 . . . . 10.0 112.493 -178.255 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 117' ' ' LYS . . . . . 0.457 ' HB3' HD12 ' C' ' 120' ' ' LEU . 81.1 mttt 70.76 32.5 2.47 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 113.134 0.79 . . . . 10.0 113.134 179.125 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 118' ' ' CYS . . . . . . . . . . . . . 91.5 m -75.2 11.05 1.27 Allowed 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.491 0.552 . . . . 10.0 112.491 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -97.92 -15.33 20.2 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.659 0.742 . . . . 10.0 109.244 179.14 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 120' ' ' LEU . . . . . 0.457 HD12 ' HB3' ' C' ' 117' ' ' LYS . 15.9 mt -88.61 145.53 35.44 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.123 -0.944 . . . . 10.0 111.204 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -84.73 177.13 5.73 Favored 'Trans proline' 0 N--CA 1.455 -0.744 0 C-N-CA 122.44 2.093 . . . . 10.0 110.598 178.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 1.6 m 56.86 68.13 0.9 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.008 0.432 . . . . 10.0 111.061 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 123' ' ' ARG . . . . . 0.458 ' HD3' ' O ' ' C' ' 125' ' ' VAL . 5.1 ptp180 -80.56 137.27 36.39 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.152 -0.477 . . . . 10.0 111.789 -179.462 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.19 -42.28 10.53 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.321 0.582 . . . . 10.0 109.893 179.38 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 125' ' ' VAL . . . . . 0.458 ' O ' ' HD3' ' C' ' 123' ' ' ARG . 58.2 t -89.65 128.74 41.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.533 -0.758 . . . . 10.0 109.617 179.107 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 126' ' ' ASP . . . . . 0.557 ' O ' ' HG2' ' C' ' 129' ' ' GLN . 1.7 t0 -90.38 139.73 30.39 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.779 -179.542 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 127' ' ' THR . . . . . 0.42 ' O ' ' HG3' ' C' ' 131' ' ' GLN . 5.5 m -60.87 -45.29 95.13 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.405 -0.361 . . . . 10.0 111.31 -179.197 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 4.9 ptmt -57.08 -36.39 70.52 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 113.881 1.067 . . . . 10.0 113.881 -178.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 129' ' ' GLN . . . . . 0.557 ' HG2' ' O ' ' C' ' 126' ' ' ASP . 2.8 pt20 -74.32 -22.57 59.19 Favored 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 111.973 0.36 . . . . 10.0 111.973 -179.191 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -93.32 -27.13 16.97 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.024 179.353 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 131' ' ' GLN . . . . . 0.559 ' HB3' ' CZ ' ' B' ' 161' ' ' ARG . 82.2 mt-30 -60.15 -60.44 3.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.557 -0.747 . . . . 10.0 112.182 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 132' ' ' ASP . . . . . 0.55 ' HA ' ' HD2' ' B' ' 161' ' ' ARG . 18.6 t70 -69.81 -22.4 63.31 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.741 0.305 . . . . 10.0 111.666 -179.716 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 56.4 tp -64.02 -43.51 95.39 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.757 -0.831 . . . . 10.0 108.757 178.552 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 134' ' ' ALA . . . . . 0.412 ' HB1' HG13 ' C' ' 139' ' ' ILE . . . -73.62 -29.15 62.19 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.607 -0.724 . . . . 10.0 110.503 179.113 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 135' ' ' ARG . . . . . 0.891 ' HG3' ' HG2' ' B' ' 161' ' ' ARG . 6.4 tmm_? -64.25 -42.9 96.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.886 179.502 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 8.7 t -58.39 -34.35 70.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.951 -179.4 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -93.77 -24.44 17.8 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.029 0.442 . . . . 10.0 111.735 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 86.71 43.1 6.19 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.867 -0.683 . . . . 10.0 112.152 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 139' ' ' ILE . . . . . 0.412 HG13 ' HB1' ' C' ' 134' ' ' ALA . 10.6 pt -122.24 145.73 45.02 Favored Pre-proline 0 C--N 1.326 -0.421 0 N-CA-C 110.422 -0.214 . . . . 10.0 110.422 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 140' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' C' ' 139' ' ' ILE . 16.3 Cg_exo -68.37 147.63 72.01 Favored 'Trans proline' 0 C--O 1.236 0.399 0 C-N-CA 122.916 2.41 . . . . 10.0 112.197 -179.628 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -130.12 119.42 23.0 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.812 -0.631 . . . . 10.0 110.546 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 54.8 mt -119.65 133.63 65.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.077 -0.712 . . . . 10.0 109.077 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -125.02 105.85 9.5 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 110.264 -0.273 . . . . 10.0 110.264 -179.603 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 144' ' ' THR . . . . . 0.5 ' HB ' ' H ' ' C' ' 145' ' ' SER . 0.1 OUTLIER -149.54 -146.81 0.21 Allowed 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 111.691 0.256 . . . . 10.0 111.691 -179.774 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 145' ' ' SER . . . . . 0.5 ' H ' ' HB ' ' C' ' 144' ' ' THR . 28.8 t -154.65 143.19 20.64 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.009 0.433 . . . . 10.0 111.257 -178.611 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -77.68 -32.66 53.23 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.279 -0.637 . . . . 10.0 109.279 178.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -56.8 -39.87 74.92 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.107 -0.952 . . . . 10.0 111.13 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 148' ' ' THR . . . . . 0.421 ' C ' ' H ' ' C' ' 150' ' ' GLN . 0.0 OUTLIER -90.39 -9.83 46.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 10.0 111.575 -179.848 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 73.65 -28.98 0.19 Allowed 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.653 0.781 . . . . 10.0 112.323 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 150' ' ' GLN . . . . . 0.421 ' H ' ' C ' ' C' ' 148' ' ' THR . 56.6 tt0 -62.91 127.21 30.2 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.868 -0.605 . . . . 10.0 110.499 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 99.2 -16.8 58.81 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.91 -0.662 . . . . 10.0 112.867 179.008 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 152' ' ' VAL . . . . . 0.403 HG22 HD23 ' C' ' 19' ' ' LEU . 98.8 t -68.0 -39.64 81.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.715 0.293 . . . . 10.0 111.076 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -59.64 -54.08 50.61 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.81 0.338 . . . . 10.0 110.589 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -63.04 -33.81 76.24 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.867 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -56.4 -32.08 64.47 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.374 -0.375 . . . . 10.0 111.624 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -101.3 -27.68 13.05 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.405 -0.361 . . . . 10.0 111.283 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -66.96 -55.5 14.25 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.33 0.493 . . . . 10.0 112.33 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 158' ' ' THR . . . . . 0.414 ' O ' ' HG2' ' C' ' 162' ' ' GLU . 22.9 m -60.21 -34.92 74.32 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 120.683 0.277 . . . . 10.0 111.508 -179.529 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 57.1 tp -58.4 -46.8 85.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 10.0 111.312 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 98.6 t -66.77 -37.88 80.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.195 0.522 . . . . 10.0 110.355 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 161' ' ' ARG . . . . . 0.572 ' HG2' ' HG3' ' B' ' 135' ' ' ARG . 8.9 ttp180 -64.59 -34.71 78.9 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.571 -0.74 . . . . 10.0 111.061 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 162' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' C' ' 158' ' ' THR . 5.0 mm-40 -66.87 -31.99 72.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.351 -0.386 . . . . 10.0 110.668 179.23 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 57.2 mt -65.67 -38.11 81.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 108.922 -0.77 . . . . 10.0 108.922 178.651 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 164' ' ' ARG . . . . . 0.483 ' NH2' ' HB3' ' C' ' 49' ' ' GLU . 69.3 mtt180 -69.47 -44.53 70.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.123 -0.944 . . . . 10.0 109.114 178.605 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 165' ' ' LYS . . . . . 0.419 ' O ' ' HB2' ' C' ' 169' ' ' LYS . 31.7 ttmt -59.71 -40.13 86.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.78 -0.646 . . . . 10.0 110.753 179.602 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 19.8 t-80 -55.76 -46.83 77.78 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.06 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -62.51 -46.15 89.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.075 -0.511 . . . . 10.0 111.03 -179.547 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 168' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' C' ' 164' ' ' ARG . 29.6 mt-10 -65.85 -41.26 91.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.3 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 169' ' ' LYS . . . . . 0.419 ' HB2' ' O ' ' C' ' 165' ' ' LYS . 0.4 OUTLIER -63.65 -45.11 91.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.666 -0.697 . . . . 10.0 110.379 -179.802 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 170' ' ' MET . . . . . 0.58 ' HA ' ' HB2' ' C' ' 173' ' ' ASP . 80.9 mmm -65.03 -27.44 68.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.871 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 47.6 m -70.12 -24.11 63.14 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.051 0.453 . . . . 10.0 110.709 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -103.03 -2.62 27.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.019 -0.537 . . . . 10.0 109.762 179.107 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 173' ' ' ASP . . . . . 0.58 ' HB2' ' HA ' ' C' ' 170' ' ' MET . 0.5 OUTLIER -78.34 -11.87 59.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.685 -0.689 . . . . 10.0 111.575 -179.041 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . -85.79 58.97 4.8 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.841 -0.695 . . . . 10.0 112.084 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 175' ' ' LYS . . . . . . . . . . . . . 10.0 tmtt? -91.8 138.04 31.87 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.757 0.313 . . . . 10.0 110.445 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 176' ' ' LYS . . . . . 0.629 ' HE2' ' H42' ' C' ' 205' ' ' PCW . 0.6 OUTLIER -149.16 -155.01 0.59 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.176 -0.465 . . . . 10.0 110.735 179.203 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 177' ' ' LYS . . . . . 0.838 ' HD3' ' H12' ' C' ' 212' ' ' PCW . 28.9 tptp 74.86 106.19 0.07 Allowed 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.298 0.57 . . . . 10.0 112.464 179.697 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 178' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -93.79 177.66 5.93 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.592 -0.731 . . . . 10.0 109.771 178.601 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 179' ' ' LYS . . . . . 0.806 ' HB3' ' H20' ' C' ' 215' ' ' 17F . 8.4 tmtm? -95.39 -39.46 10.0 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.76 0.314 . . . . 10.0 110.558 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 180' ' ' LYS . . . . . 0.681 ' HD3' ' H9A' ' C' ' 215' ' ' 17F . 0.0 OUTLIER -59.05 131.49 51.2 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 116.286 -0.415 . . . . 10.0 110.769 178.739 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 19.6 m -116.71 -111.16 0.35 Allowed 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 112.263 0.468 . . . . 10.0 112.263 -179.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 182' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.42 163.07 16.59 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 110.14 -0.319 . . . . 10.0 110.14 -179.47 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.77 114.09 16.28 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.488 -0.324 . . . . 10.0 110.563 179.392 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 184' ' ' LYS . . . . . 0.51 ' O ' ' H73' ' C' ' 203' ' ' PCW . 49.3 mttp . . . . . 0 C--O 1.236 0.382 0 CA-C-N 116.394 -0.366 . . . . 10.0 111.556 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 401' ' ' PCW . . . . . 1.032 ' H12' H342 ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 402' ' ' PCW . . . . . 0.884 H451 ' H51' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 403' ' ' PCW . . . . . 1.188 ' C31' H362 ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 404' ' ' PCW . . . . . 1.107 ' C16' H421 ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 405' ' ' PCW . . . . . 1.093 H371 H461 ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 406' ' ' PCW . . . . . 1.083 H472 H262 ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 407' ' ' PCW . . . . . 1.076 H212 ' C17' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 408' ' ' PCW . . . . . 1.059 H152 H232 ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 409' ' ' PCW . . . . . 1.19 ' C19' H142 ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 410' ' ' PCW . . . . . 1.027 ' C37' H321 ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 411' ' ' PCW . . . . . 1.093 H461 H371 ' A' ' 405' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 412' ' ' PCW . . . . . 1.004 H371 ' H39' ' A' ' 410' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 413' ' ' PCW . . . . . 0.869 ' H82' ' O2P' ' C' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 414' ' ' PCW . . . . . 1.01 H472 H432 ' A' ' 414' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 415' ' ' 17F . . . . . 1.088 ' H54' H472 ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 416' ' ' 17F . . . . . 1.043 ' H57' H151 ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 417' ' ' PCW . . . . . 0.867 H161 H331 ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 418' ' ' PCW . . . . . 1.087 H332 H132 ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 419' ' ' PCW . . . . . 0.945 H431 H441 ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 420' ' ' PCW . . . . . 1.069 H372 H431 ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 421' ' ' PCW . . . . . 1.054 ' H61' ' H4 ' ' D' ' 630' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 422' ' ' 17F . . . . . 1.051 ' H6 ' H141 ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 601' ' ' PCW . . . . . 0.994 H432 H472 ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 602' ' ' PCW . . . . . 1.011 H483 ' H47' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 603' ' ' PCW . . . . . 1.04 H441 H231 ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 604' ' ' PCW . . . . . 1.006 H411 ' H36' ' C' ' 218' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 605' ' ' PCW . . . . . 1.014 ' H2 ' ' H62' ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 606' ' ' PCW . . . . . 1.043 H172 H212 ' D' ' 606' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 607' ' ' PCW . . . . . 0.956 H431 H471 ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 608' ' ' PCW . . . . . 1.056 H452 ' H60' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 609' ' ' PCW . . . . . 1.082 H271 ' H73' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 610' ' ' PCW . . . . . 0.933 H172 ' H61' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 611' ' ' PCW . . . . . 0.999 H212 H271 ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 612' ' ' PCW . . . . . 1.095 ' H2 ' ' H63' ' D' ' 620' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 613' ' ' PCW . . . . . 1.226 ' C17' H212 ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 614' ' ' PCW . . . . . 1.077 H352 H351 ' D' ' 620' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 615' ' ' PCW . . . . . 0.964 H281 H272 ' A' ' 401' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 616' ' ' PCW . . . . . 1.055 H472 H442 ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 617' ' ' PCW . . . . . 0.851 ' H31' ' O2P' ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 618' ' ' PCW . . . . . 1.069 H431 H372 ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 619' ' ' PCW . . . . . 0.877 H322 H121 ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 620' ' ' PCW . . . . . 1.095 ' H63' ' H2 ' ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 621' ' ' PCW . . . . . 0.868 H141 ' O9 ' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 622' ' ' PCW . . . . . 1.051 H141 ' H6 ' ' A' ' 422' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 623' ' ' PCW . . . . . 1.117 H322 ' C36' ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 624' ' ' PCW . . . . . 1.055 H241 ' H20' ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 625' ' ' PCW . . . . . 1.057 ' H41' ' O31' ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 626' ' ' PCW . . . . . 1.024 H242 ' H63' ' D' ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 627' ' ' PCW . . . . . 1.013 H241 H451 ' C' ' 216' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 628' ' ' 17F . . . . . 1.082 ' H73' H271 ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 629' ' ' 17F . . . . . 1.011 ' H47' H483 ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 630' ' ' 17F . . . . . 1.054 ' H4 ' ' H61' ' A' ' 421' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 631' ' ' 17F . . . . . 1.01 H19A H222 ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 632' ' ' 17F . . . . . 0.884 ' H51' H451 ' A' ' 402' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 201' ' ' GSP . . . . . 0.739 H5'2 ' CD1' ' B' ' 32' ' ' TYR . . . . . . . . 0 O4'--C1' 1.438 2.006 1 O4'-C1'-N19 112.885 4.685 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 202' ' ' ' MG' . . . . . 0.608 'MG ' ' O3G' ' B' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 203' ' ' PCW . . . . . 0.849 ' H51' H331 ' C' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 204' ' ' PCW . . . . . 1.043 H151 ' H57' ' A' ' 416' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 205' ' ' PCW . . . . . 1.083 H262 H472 ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 206' ' ' PCW . . . . . 1.102 H422 ' H39' ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 207' ' ' PCW . . . . . 1.141 H132 ' C33' ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 208' ' ' PCW . . . . . 1.048 H472 H432 ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 209' ' ' 17F . . . . . 0.998 ' H57' H19A ' B' ' 209' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 210' ' ' 17F . . . . . 1.043 ' H78' H441 ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 211' ' ' 17F . . . . . 1.031 ' C9 ' H351 ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 201' ' ' GSP . . . . . 0.949 H5'1 ' HA2' ' C' ' 13' ' ' GLY . . . . . . . . 0 O4'--C1' 1.439 2.108 2 O4'-C1'-N19 113.53 5.33 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 202' ' ' ' MG' . . . . . 0.641 'MG ' ' O3G' ' C' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 203' ' ' PCW . . . . . 1.047 H161 H471 ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 204' ' ' PCW . . . . . 1.064 H482 H232 ' C' ' 216' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 205' ' ' PCW . . . . . 1.133 H221 H242 ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 206' ' ' PCW . . . . . 1.171 H182 ' C17' ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 207' ' ' PCW . . . . . 1.022 ' O1P' ' H31' ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 208' ' ' PCW . . . . . 1.171 ' C17' H182 ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 209' ' ' PCW . . . . . 1.133 H242 H221 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 210' ' ' PCW . . . . . 1.057 ' O31' H352 ' C' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 211' ' ' PCW . . . . . 0.972 ' H51' ' C1 ' ' C' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 212' ' ' PCW . . . . . 1.087 H241 ' H20' ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 213' ' ' 17F . . . . . 0.852 ' H32' H441 ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 214' ' ' 17F . . . . . 1.025 ' H72' H262 ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 215' ' ' 17F . . . . . 0.827 ' H8A' H11A ' B' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 216' ' ' PCW . . . . . 1.108 H462 H361 ' C' ' 217' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 217' ' ' PCW . . . . . 1.108 H361 H462 ' C' ' 216' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 218' ' ' 17F . . . . . 1.041 H18A ' O7 ' ' C' ' 218' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 219' ' ' 17F . . . . . 1.115 ' H59' H12A ' C' ' 219' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 64.7 mt . . . . . 0 N--CA 1.463 0.176 0 CA-C-O 121.204 0.526 . . . . 10.0 110.242 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -57.67 -50.14 74.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.256 -0.884 . . . . 10.0 111.56 -179.48 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 89.0 mt -68.48 -34.16 75.44 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.065 0.394 . . . . 10.0 112.065 -179.111 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 73.7 mt -68.58 -50.66 50.0 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.132 -0.485 . . . . 10.0 111.034 -179.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.26 -38.28 86.14 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 121.014 0.435 . . . . 10.0 111.314 179.763 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 206' ' ' ASN . . . . . 0.487 HD22 ' HA ' ' A' ' 206' ' ' ASN . 1.6 m120 -72.61 -26.54 61.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.253 -0.431 . . . . 10.0 111.271 179.639 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 7.8 t90 -70.31 -28.37 65.12 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.649 -0.5 . . . . 10.0 109.649 179.32 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -63.16 -34.19 77.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.9 -0.591 . . . . 10.0 110.356 179.281 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.99 -29.24 67.4 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.305 0.574 . . . . 10.0 109.906 178.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 23.4 t -74.44 -40.81 49.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 108.81 -0.811 . . . . 10.0 108.81 178.387 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 22.4 m -60.62 -45.72 92.97 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.568 -0.742 . . . . 10.0 110.331 179.143 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 2.8 p -64.66 -45.39 86.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.356 -0.383 . . . . 10.0 110.67 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 88.8 m -59.79 -45.33 92.64 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.327 178.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -64.1 -37.91 89.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.562 179.396 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 215' ' ' SER . . . . . 0.566 ' O ' ' HG3' ' A' ' 219' ' ' GLU . 61.6 m -62.26 -46.28 89.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.072 -0.513 . . . . 10.0 109.83 179.047 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -65.4 -39.39 92.14 Favored 'General case' 0 CA--C 1.521 -0.137 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.032 179.083 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 217' ' ' LEU . . . . . 0.434 ' O ' ' HG ' ' A' ' 221' ' ' LEU . 52.7 mt -59.45 -42.56 92.25 Favored 'General case' 0 C--O 1.226 -0.159 0 CA-C-N 115.888 -0.596 . . . . 10.0 109.957 178.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 50.2 mtt180 -67.87 -37.28 81.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.076 -0.511 . . . . 10.0 111.227 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 219' ' ' GLU . . . . . 0.566 ' HG3' ' O ' ' A' ' 215' ' ' SER . 41.7 mt-10 -67.3 -25.83 66.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.126 0.489 . . . . 10.0 109.922 179.137 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 220' ' ' GLN . . . . . 0.431 ' O ' HG23 ' A' ' 224' ' ' VAL . 7.8 tp-100 -88.68 -32.4 18.01 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.71 -0.677 . . . . 10.0 109.362 178.579 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 221' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 217' ' ' LEU . 26.2 mt -57.8 -31.99 67.11 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.971 -0.559 . . . . 10.0 111.15 179.748 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -58.39 -67.44 2.19 Favored Glycine 0 C--N 1.332 0.318 0 N-CA-C 110.344 -1.103 . . . . 10.0 110.344 178.297 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -53.51 -36.26 79.43 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.662 2.242 . . . . 10.0 110.663 177.352 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 224' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 220' ' ' GLN . 24.9 t -58.99 -52.89 55.24 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.209 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.792 178.751 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 225' ' ' THR . . . . . 0.542 ' O ' ' HB2' ' A' ' 229' ' ' TRP . 2.4 p -65.1 -35.16 80.25 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.986 -0.285 . . . . 10.0 110.722 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -65.74 -55.64 16.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.841 0.353 . . . . 10.0 110.475 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -65.05 -41.1 95.47 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.099 -0.5 . . . . 10.0 111.862 -179.288 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 228' ' ' PHE . . . . . 0.557 ' HE1' H483 ' A' ' 405' ' ' PCW . 14.2 t80 -63.87 -47.15 81.83 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.597 -0.274 . . . . 10.0 110.636 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 229' ' ' TRP . . . . . 0.542 ' HB2' ' O ' ' A' ' 225' ' ' THR . 1.2 m-90 -68.37 -35.75 78.17 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.408 -0.36 . . . . 10.0 110.805 179.657 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -60.49 -48.44 81.75 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.483 -0.562 . . . . 10.0 109.483 178.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 231' ' ' ASN . . . . . 0.942 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 42.4 m-80 -68.62 -33.23 73.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.831 -0.622 . . . . 10.0 109.934 178.349 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 232' ' ' LEU . . . . . 0.49 ' HB2' ' HA ' ' A' ' 229' ' ' TRP . 9.8 mt -64.02 -36.71 84.88 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 115.928 -0.578 . . . . 10.0 109.446 178.404 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 233' ' ' GLU . . . . . 0.418 ' O ' ' HB2' ' A' ' 237' ' ' GLU . 14.9 mm-40 -65.89 -28.65 69.11 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-N 115.776 -0.647 . . . . 10.0 110.49 178.636 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 234' ' ' LYS . . . . . 0.942 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 57.3 mttt -74.86 -43.78 52.61 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.798 -0.816 . . . . 10.0 108.798 178.05 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -63.14 -45.48 91.73 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.838 -0.619 . . . . 10.0 109.986 178.683 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 6.5 p -66.72 -35.43 80.1 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.096 -0.502 . . . . 10.0 109.658 178.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 237' ' ' GLU . . . . . 0.418 ' HB2' ' O ' ' A' ' 233' ' ' GLU . 29.6 tt0 -61.02 -46.11 92.06 Favored 'General case' 0 C--O 1.231 0.081 0 N-CA-C 108.522 -0.918 . . . . 10.0 108.522 177.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -59.51 -46.53 93.79 Favored Glycine 0 N--CA 1.444 -0.827 0 N-CA-C 110.562 -1.015 . . . . 10.0 110.562 177.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 239' ' ' LEU . . . . . 0.419 ' HA ' HD23 ' A' ' 239' ' ' LEU . 17.5 mt -63.38 -33.21 75.03 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-O 120.515 0.198 . . . . 10.0 110.993 178.829 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 240' ' ' ARG . . . . . 0.403 ' HD2' ' HA ' ' A' ' 237' ' ' GLU . 57.5 mtt180 -67.32 -41.25 85.61 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.327 -0.62 . . . . 10.0 109.327 178.494 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -70.4 -41.63 72.73 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-N 115.711 -0.677 . . . . 10.0 109.648 178.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -67.89 -24.85 65.27 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-N 115.773 -0.649 . . . . 10.0 109.997 179.031 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 243' ' ' MET . . . . . 0.405 ' HG3' HD12 ' A' ' 247' ' ' LEU . 59.7 ttm -63.42 -30.84 71.9 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.54 -0.541 . . . . 10.0 109.54 178.567 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 3.6 m -76.91 5.64 7.56 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.553 -0.748 . . . . 10.0 110.742 179.114 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 245' ' ' LYS . . . . . 0.487 ' O ' ' HB2' ' A' ' 249' ' ' GLU . 36.0 mttm -130.54 -50.16 1.07 Allowed 'General case' 0 C--O 1.224 -0.246 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.104 179.022 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 246' ' ' ASP . . . . . 0.443 ' O ' ' HB ' ' A' ' 250' ' ' VAL . 0.3 OUTLIER -59.18 -59.34 5.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.665 179.605 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 247' ' ' LEU . . . . . 0.433 ' O ' HG12 ' A' ' 250' ' ' VAL . 20.5 mt -74.49 -35.63 63.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.462 -179.69 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -63.79 -55.48 22.76 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.621 -0.263 . . . . 10.0 111.457 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 249' ' ' GLU . . . . . 0.487 ' HB2' ' O ' ' A' ' 245' ' ' LYS . 0.7 OUTLIER -65.04 -37.65 88.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.723 -0.217 . . . . 10.0 111.012 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 250' ' ' VAL . . . . . 0.851 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 0.7 OUTLIER -63.51 -32.17 55.7 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.636 0 C-N-CA 120.531 -0.468 . . . . 10.0 111.08 179.798 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 251' ' ' LYS . . . . . 0.426 ' O ' HG12 ' A' ' 254' ' ' VAL . 95.4 mttt -85.86 -35.83 20.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.158 0.504 . . . . 10.0 111.078 179.463 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -70.58 -35.71 73.19 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.15 0.5 . . . . 10.0 110.246 179.374 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 31.3 mtpt -91.39 -20.89 21.32 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.016 -0.538 . . . . 10.0 111.802 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 254' ' ' VAL . . . . . 0.851 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 1.9 p -63.36 -26.2 40.25 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 C-N-CA 120.61 -0.436 . . . . 10.0 110.816 179.714 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 255' ' ' GLN . . . . . 0.5 ' HB2' ' CD ' ' A' ' 256' ' ' PRO . 46.1 mt-30 -63.87 -62.89 4.55 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.29 -0.413 . . . . 10.0 110.332 179.048 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 256' ' ' PRO . . . . . 0.5 ' CD ' ' HB2' ' A' ' 255' ' ' GLN . 18.4 Cg_endo -62.67 -30.25 78.5 Favored 'Trans proline' 0 C--N 1.359 1.117 0 C-N-CA 121.833 1.689 . . . . 10.0 111.322 178.062 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 5.5 m-30 -65.5 -56.57 11.67 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.102 0.477 . . . . 10.0 109.901 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 258' ' ' LEU . . . . . 0.516 ' HG ' HG22 ' A' ' 254' ' ' VAL . 40.1 mt -64.57 -38.58 91.51 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.746 -0.661 . . . . 10.0 111.019 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -61.42 -40.61 95.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.972 0.415 . . . . 10.0 110.407 179.153 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -67.13 -48.42 68.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.898 -0.592 . . . . 10.0 109.955 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -64.84 -45.98 83.85 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.952 -0.567 . . . . 10.0 111.17 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -59.26 -46.06 89.52 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.415 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 263' ' ' LYS . . . . . 0.599 ' O ' ' HG3' ' A' ' 267' ' ' GLU . 0.3 OUTLIER -61.66 -50.62 71.78 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.977 -0.556 . . . . 10.0 110.224 179.736 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 264' ' ' LYS . . . . . 0.842 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 67.0 mttt -62.21 -40.56 96.53 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.306 -0.406 . . . . 10.0 111.252 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 5.5 m95 -65.67 -35.75 81.67 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.906 -0.405 . . . . 10.0 109.906 178.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -65.06 -42.51 94.12 Favored 'General case' 0 CA--C 1.519 -0.223 0 N-CA-C 108.194 -1.039 . . . . 10.0 108.194 178.028 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 267' ' ' GLU . . . . . 0.599 ' HG3' ' O ' ' A' ' 263' ' ' LYS . 49.9 mt-10 -62.21 -43.29 99.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.618 -0.719 . . . . 10.0 109.263 178.059 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 268' ' ' GLU . . . . . 0.5 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 18.5 mt-10 -61.64 -42.19 98.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.529 -0.759 . . . . 10.0 110.065 179.333 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 90.2 mmm -65.67 -41.56 92.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.619 -0.719 . . . . 10.0 109.921 178.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -58.95 -48.52 81.22 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.34 0.591 . . . . 10.0 109.564 178.637 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 271' ' ' LEU . . . . . 0.428 ' O ' ' HB2' ' A' ' 275' ' ' LYS . 73.6 mt -61.86 -44.22 97.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.251 -0.886 . . . . 10.0 110.742 179.623 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -65.38 -38.22 89.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.178 -0.465 . . . . 10.0 111.019 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 43.8 mtt180 -69.85 -44.53 69.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.438 -0.346 . . . . 10.0 110.467 179.512 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -68.78 -15.87 63.63 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.686 179.024 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 275' ' ' LYS . . . . . 0.728 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 12.4 mptt -92.82 -46.64 7.44 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.014 -0.539 . . . . 10.0 110.313 179.193 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 3.0 p -54.08 -31.42 21.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 113.164 0.802 . . . . 10.0 113.164 -178.629 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -64.47 -64.06 3.14 Favored Pre-proline 0 CA--C 1.535 0.37 0 N-CA-C 111.732 0.271 . . . . 10.0 111.732 179.56 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -63.86 -36.55 49.86 Favored 'Trans proline' 0 C--N 1.355 0.884 0 C-N-CA 121.762 1.641 . . . . 10.0 111.98 178.533 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 279' ' ' LEU . . . . . 0.728 ' HG ' ' O ' ' A' ' 275' ' ' LYS . 22.1 mt -61.33 -40.66 95.04 Favored 'General case' 0 CA--C 1.521 -0.169 0 C-N-CA 121.187 -0.205 . . . . 10.0 110.672 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 30.2 mtt180 -68.34 -30.95 70.03 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.466 -0.333 . . . . 10.0 110.288 179.092 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -66.2 -45.94 79.03 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.06 -0.719 . . . . 10.0 109.06 178.451 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -62.87 -44.47 96.03 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.402 -0.817 . . . . 10.0 109.206 178.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 10.2 mt -62.68 -44.93 95.0 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.796 179.36 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -63.35 -51.69 64.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.535 -0.302 . . . . 10.0 111.172 -179.655 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -65.35 -40.4 93.56 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 121.012 -0.275 . . . . 10.0 111.158 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -63.16 -47.83 84.93 Favored Glycine 0 N--CA 1.446 -0.663 0 N-CA-C 110.483 -1.047 . . . . 10.0 110.483 178.555 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -64.46 -35.14 79.96 Favored 'General case' 0 C--O 1.22 -0.45 0 N-CA-C 110.056 -0.35 . . . . 10.0 110.056 179.001 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 57.6 mtt180 -57.43 -48.63 78.63 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 116.387 -0.37 . . . . 10.0 110.119 179.252 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -65.79 -46.59 78.14 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.249 179.322 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 69.4 mttt -60.39 -40.43 90.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.27 -0.423 . . . . 10.0 111.12 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 28.3 mt -68.37 -42.65 78.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.223 178.539 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -64.89 -40.56 95.28 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.783 -0.451 . . . . 10.0 109.783 178.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -62.02 -37.2 84.01 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.542 -0.91 . . . . 10.0 108.542 178.218 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 294' ' ' LEU . . . . . 0.411 ' O ' ' HG ' ' A' ' 298' ' ' LEU . 3.5 mt -69.11 -49.41 57.3 Favored 'General case' 0 C--O 1.221 -0.418 0 CA-C-N 115.088 -0.96 . . . . 10.0 109.724 178.645 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -59.19 -37.45 77.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.839 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -67.32 -9.34 40.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.003 -0.544 . . . . 10.0 111.166 179.218 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 297' ' ' LYS . . . . . 0.447 ' HA ' ' HD3' ' A' ' 297' ' ' LYS . 29.4 mmtp -113.47 -39.93 3.97 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.426 178.669 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 298' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 294' ' ' LEU . 96.5 mt -58.25 -30.26 66.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.225 -0.443 . . . . 10.0 111.224 179.686 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 299' ' ' SER . . . . . 0.49 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 2.7 m -75.42 -63.87 0.64 Allowed Pre-proline 0 CA--C 1.537 0.453 0 CA-C-N 116.197 -0.456 . . . . 10.0 111.906 179.338 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 300' ' ' PRO . . . . . 0.49 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 28.6 Cg_endo -63.3 -46.05 10.69 Favored 'Trans proline' 0 C--N 1.36 1.133 0 C-N-CA 121.791 1.66 . . . . 10.0 112.581 -179.705 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 301' ' ' LEU . . . . . 0.714 HD22 ' HG2' ' D' ' 473' ' ' LYS . 73.1 mt -69.04 -27.66 65.86 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 109.965 -0.383 . . . . 10.0 109.965 179.583 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -69.32 -49.12 41.04 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 109.573 -1.411 . . . . 10.0 109.573 178.491 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -60.59 -44.3 96.39 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 109.116 -0.698 . . . . 10.0 109.116 178.411 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -60.6 -41.93 95.76 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.438 -0.801 . . . . 10.0 109.868 178.475 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 10.6 tpt -63.16 -44.27 95.96 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 116.172 -0.467 . . . . 10.0 109.952 179.274 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 58.0 mtt180 -63.99 -45.21 90.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.28 179.321 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 307' ' ' ASP . . . . . 0.894 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 19.6 t70 -64.37 -39.53 94.05 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.993 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 308' ' ' ARG . . . . . 0.491 ' HG3' HD21 ' D' ' 469' ' ' LEU . 24.6 mmt180 -72.32 -34.81 68.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 10.0 109.802 178.562 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 309' ' ' ALA . . . . . 0.517 ' HA ' ' HB2' ' A' ' 312' ' ' HIS . . . -64.28 -32.49 74.1 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 109.251 -0.648 . . . . 10.0 109.251 178.548 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 310' ' ' ARG . . . . . 0.894 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 79.3 mtt180 -58.88 -52.53 65.33 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 109.096 -0.705 . . . . 10.0 109.096 178.472 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -67.81 -36.93 81.29 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.125 179.321 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 312' ' ' HIS . . . . . 0.517 ' HB2' ' HA ' ' A' ' 309' ' ' ALA . 0.1 OUTLIER -53.53 -53.44 51.5 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.761 -0.654 . . . . 10.0 110.074 178.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 32.7 t -78.51 -32.78 16.59 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 CA-C-N 115.471 -0.786 . . . . 10.0 111.597 -179.239 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -57.62 -48.07 80.44 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-O 120.752 0.311 . . . . 10.0 111.207 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -63.62 -41.12 98.31 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.203 179.135 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 21.1 mt -66.12 -48.96 69.13 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.406 179.318 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 19.9 ttm105 -59.3 -47.92 83.59 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.827 -179.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 18.2 m -67.13 -20.45 65.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.989 -0.55 . . . . 10.0 111.069 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -89.81 -33.21 16.6 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.961 0.41 . . . . 10.0 110.204 178.479 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 73.9 mt -69.82 -33.72 72.71 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.982 -0.554 . . . . 10.0 111.462 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -53.63 -58.52 12.68 Favored Pre-proline 0 CA--C 1.538 0.507 0 N-CA-C 112.578 0.584 . . . . 10.0 112.578 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -72.28 -33.25 9.37 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 121.526 1.484 . . . . 10.0 111.662 179.132 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 8.2 m-30 -63.33 -42.56 98.97 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 116.484 -0.326 . . . . 10.0 110.967 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 324' ' ' SER . . . . . 0.458 ' O ' ' HG3' ' A' ' 328' ' ' ARG . 29.2 p -69.24 -31.45 70.01 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.999 -0.371 . . . . 10.0 109.999 179.339 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -66.85 -45.65 77.5 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.069 -0.715 . . . . 10.0 109.069 178.378 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 326' ' ' GLU . . . . . 0.425 ' O ' ' HG3' ' A' ' 330' ' ' ARG . 57.8 mt-10 -65.6 -34.82 79.11 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.611 -0.885 . . . . 10.0 108.611 177.517 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 327' ' ' LEU . . . . . 0.445 ' O ' ' HG ' ' A' ' 331' ' ' LEU . 0.6 OUTLIER -61.64 -38.07 86.35 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.714 -0.675 . . . . 10.0 109.45 178.498 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 328' ' ' ARG . . . . . 0.458 ' HG3' ' O ' ' A' ' 324' ' ' SER . 49.4 mtt180 -62.39 -41.93 99.03 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 109.351 -0.611 . . . . 10.0 109.351 178.271 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -66.32 -39.14 89.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.783 -0.644 . . . . 10.0 109.309 178.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 330' ' ' ARG . . . . . 0.909 HH21 ' HB3' ' D' ' 447' ' ' GLU . 18.1 mtt180 -63.76 -47.48 80.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.558 -0.746 . . . . 10.0 109.59 178.706 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 331' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 327' ' ' LEU . 93.0 mt -62.34 -42.44 99.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.751 -0.658 . . . . 10.0 110.154 179.266 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -61.2 -51.71 67.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.505 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -60.29 -45.93 91.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.645 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 43.5 mtt-85 -61.45 -47.46 85.62 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.674 179.241 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 55.1 mt -64.27 -41.46 96.91 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.101 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -63.27 -45.89 89.4 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.321 -0.252 . . . . 10.0 110.321 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -64.07 -39.11 93.36 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.404 -0.591 . . . . 10.0 109.404 178.649 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 1.9 mt -67.1 -31.28 71.64 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.808 179.275 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -79.73 -38.93 32.26 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.754 0.311 . . . . 10.0 110.316 178.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -67.51 -54.44 20.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.055 0.455 . . . . 10.0 109.82 179.115 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -68.93 -39.26 79.7 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.021 -0.536 . . . . 10.0 109.971 179.322 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -60.86 -41.19 99.14 Favored Glycine 0 N--CA 1.449 -0.49 0 CA-C-N 115.83 -0.623 . . . . 10.0 111.625 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -60.76 -39.42 96.7 Favored Glycine 0 N--CA 1.451 -0.34 0 N-CA-C 110.876 -0.889 . . . . 10.0 110.876 178.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -69.81 -41.27 75.24 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.734 -0.469 . . . . 10.0 109.734 178.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 39.8 mtm180 -64.44 -39.91 94.74 Favored 'General case' 0 C--O 1.227 -0.126 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.173 178.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 30.6 mt -64.12 -46.3 84.76 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 116.143 -0.48 . . . . 10.0 109.792 178.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.93 -41.02 90.85 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.352 -0.61 . . . . 10.0 109.352 179.128 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 348' ' ' GLU . . . . . 0.437 ' OE1' ' HB2' ' D' ' 429' ' ' ASN . 34.4 mt-10 -67.33 -45.09 77.47 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.466 -0.788 . . . . 10.0 109.892 178.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 349' ' ' TYR . . . . . 0.417 ' HD1' ' HA ' ' A' ' 349' ' ' TYR . 1.3 m-30 -59.86 -42.08 92.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.271 -0.422 . . . . 10.0 111.351 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 54.1 m-70 -63.56 -45.33 90.99 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.871 -0.418 . . . . 10.0 109.871 178.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -63.75 -48.83 75.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.21 179.17 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 352' ' ' LYS . . . . . 0.409 ' HE2' ' HB3' ' A' ' 348' ' ' GLU . 12.6 mtmm -59.94 -39.06 84.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.369 179.163 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 353' ' ' ALA . . . . . 0.475 ' O ' ' HG ' ' A' ' 357' ' ' LEU . . . -60.95 -43.71 98.3 Favored 'General case' 0 CA--C 1.519 -0.213 0 N-CA-C 109.579 -0.526 . . . . 10.0 109.579 178.679 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 39.2 m -64.99 -38.36 90.72 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.303 -0.629 . . . . 10.0 109.303 178.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -63.55 -43.97 95.53 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.1 -0.5 . . . . 10.0 109.746 178.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -64.72 -37.0 86.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.788 -0.642 . . . . 10.0 109.389 178.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 357' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 353' ' ' ALA . 84.4 mt -68.36 -33.56 74.49 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.437 179.141 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 49.7 m -61.21 -42.05 97.93 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.26 0.552 . . . . 10.0 109.972 178.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -79.85 -30.52 40.37 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.043 178.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 65.3 tp -65.07 -29.38 70.26 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 109.115 -0.698 . . . . 10.0 109.115 178.469 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 361' ' ' SER . . . . . 0.467 ' O ' ' HG3' ' A' ' 365' ' ' LYS . 34.8 m -62.6 -33.34 74.79 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.93 -0.577 . . . . 10.0 109.817 178.733 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -68.98 -22.9 64.07 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.006 178.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 363' ' ' LYS . . . . . 0.772 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 74.5 mttt -94.51 -23.79 17.55 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.752 -0.658 . . . . 10.0 109.985 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -80.63 -36.43 32.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.742 -0.663 . . . . 10.0 112.166 -179.253 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 365' ' ' LYS . . . . . 0.613 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 1.6 mttt -109.88 -69.67 0.03 OUTLIER Pre-proline 0 CA--C 1.536 0.429 0 N-CA-C 112.984 0.735 . . . . 10.0 112.984 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 366' ' ' PRO . . . . . 0.613 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 52.7 Cg_exo -55.12 -63.98 0.17 Allowed 'Trans proline' 0 C--N 1.356 0.924 0 C-N-CA 122.595 2.196 . . . . 10.0 113.482 -179.045 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 367' ' ' ALA . . . . . 0.772 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -56.12 -47.13 78.7 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.995 0.368 . . . . 10.0 111.995 -179.308 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 1.5 mt -62.86 -42.53 99.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.559 -0.291 . . . . 10.0 111.478 -179.616 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -63.97 -45.79 87.53 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.991 -0.374 . . . . 10.0 109.991 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -60.66 -42.46 97.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.064 -0.516 . . . . 10.0 109.684 179.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 45.6 mt -62.61 -46.09 89.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.706 -0.679 . . . . 10.0 110.218 178.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -61.12 -46.83 88.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 10.0 110.65 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -61.88 -30.4 70.84 Favored 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 115.92 -0.582 . . . . 10.0 111.11 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -84.56 -31.7 23.88 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.756 -0.735 . . . . 10.0 111.661 179.152 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 28.3 mt -71.14 -33.7 70.32 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 111.796 0.295 . . . . 10.0 111.796 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 48.8 mt -51.83 -58.32 11.58 Favored Pre-proline 0 CA--C 1.534 0.344 0 N-CA-C 112.55 0.574 . . . . 10.0 112.55 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_endo -64.26 -31.8 62.94 Favored 'Trans proline' 0 C--N 1.354 0.843 0 C-N-CA 121.888 1.725 . . . . 10.0 111.317 178.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 47.1 t -64.57 -43.89 96.79 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.097 0 N-CA-C 109.409 -0.589 . . . . 10.0 109.409 178.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 379' ' ' LEU . . . . . 0.459 ' O ' ' HG3' ' A' ' 383' ' ' LYS . 96.6 mt -68.61 -30.65 69.43 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.452 -0.573 . . . . 10.0 109.452 178.514 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 380' ' ' GLU . . . . . 0.408 ' O ' HG23 ' A' ' 384' ' ' VAL . 34.7 tt0 -64.77 -50.59 66.22 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.21 -0.663 . . . . 10.0 109.21 179.003 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 1.4 p -65.18 -30.0 70.87 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 109.354 -0.61 . . . . 10.0 109.354 178.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 382' ' ' PHE . . . . . 0.489 ' O ' ' HB2' ' A' ' 386' ' ' PHE . 0.2 OUTLIER -64.77 -44.13 91.04 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 115.687 -0.688 . . . . 10.0 109.324 178.262 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 383' ' ' LYS . . . . . 0.459 ' HG3' ' O ' ' A' ' 379' ' ' LEU . 83.0 mttt -62.76 -45.14 94.08 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.362 -0.607 . . . . 10.0 109.362 178.641 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 384' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 380' ' ' GLU . 87.4 t -57.9 -49.19 81.95 Favored 'Isoleucine or valine' 0 C--O 1.232 0.152 0 CA-C-N 115.509 -0.769 . . . . 10.0 111.045 179.658 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 5.2 p -70.75 -38.0 73.47 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 111.964 0.357 . . . . 10.0 111.964 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 386' ' ' PHE . . . . . 0.489 ' HB2' ' O ' ' A' ' 382' ' ' PHE . 0.3 OUTLIER -62.92 -49.6 74.16 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.828 0.347 . . . . 10.0 110.566 179.591 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 387' ' ' LEU . . . . . 0.473 ' O ' ' HG3' ' A' ' 391' ' ' GLU . 81.3 mt -60.29 -42.15 94.84 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.012 -0.54 . . . . 10.0 111.796 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 388' ' ' SER . . . . . 0.461 ' HB2' ' HE2' ' D' ' 594' ' ' LYS . 3.5 p -70.49 -36.48 73.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.719 0.295 . . . . 10.0 110.784 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -66.49 -38.07 86.47 Favored 'General case' 0 CA--C 1.522 -0.13 0 N-CA-C 109.905 -0.406 . . . . 10.0 109.905 178.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 390' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 386' ' ' PHE . 86.6 mt -60.86 -38.73 86.55 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.766 -0.652 . . . . 10.0 109.823 178.811 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 391' ' ' GLU . . . . . 0.473 ' HG3' ' O ' ' A' ' 387' ' ' LEU . 53.3 mt-10 -68.67 -37.88 79.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.839 -0.619 . . . . 10.0 109.506 178.796 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -60.13 -46.13 90.69 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.329 179.041 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -61.7 -48.33 81.25 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.153 178.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 27.4 m -56.88 -45.4 82.58 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.959 -0.564 . . . . 10.0 112.074 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -63.28 -30.47 71.61 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.762 0.653 . . . . 10.0 112.762 -178.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 396' ' ' LYS . . . . . 0.563 ' HZ3' ' HA ' ' D' ' 587' ' ' ALA . 1.6 mptt -106.28 11.4 31.13 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 113.096 0.776 . . . . 10.0 113.096 -178.736 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 19.8 mt -127.75 -20.03 3.99 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.654 0.264 . . . . 10.0 111.414 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 . . . . . 0 C--N 1.326 -0.443 0 CA-C-N 116.438 -0.346 . . . . 10.0 110.875 -179.406 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 2.5 mm? . . . . . 0 CA--C 1.52 -0.187 0 CA-C-O 121.295 0.569 . . . . 10.0 110.434 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -85.34 6.37 26.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.765 -0.652 . . . . 10.0 111.154 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 43.2 mt -61.36 -37.63 84.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.715 -0.675 . . . . 10.0 110.988 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 96.7 mt -64.06 -43.37 95.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.788 -0.642 . . . . 10.0 111.068 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.94 -37.78 82.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.162 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 404' ' ' ASN . . . . . 0.445 ' O ' HG23 ' D' ' 408' ' ' VAL . 27.1 t-20 -64.46 -48.01 76.89 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.123 -0.489 . . . . 10.0 110.559 179.387 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 11.8 m95 -63.02 -26.46 68.86 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.91 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -63.7 -48.48 76.94 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 109.434 -0.58 . . . . 10.0 109.434 178.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 7.1 m -60.82 -34.97 75.34 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.067 178.679 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 408' ' ' VAL . . . . . 0.445 HG23 ' O ' ' D' ' 404' ' ' ASN . 53.5 t -68.14 -39.88 82.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 N-CA-C 109.414 -0.587 . . . . 10.0 109.414 179.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 28.3 m -66.13 -40.84 90.97 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.729 -0.668 . . . . 10.0 109.727 179.177 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 14.6 m -61.07 -47.19 87.49 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.485 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.39 -33.46 75.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.339 -0.391 . . . . 10.0 110.963 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -65.24 -39.03 92.15 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 108.848 -0.797 . . . . 10.0 108.848 177.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 413' ' ' SER . . . . . 0.493 ' O ' ' HG3' ' D' ' 417' ' ' GLU . 33.1 m -66.95 -44.12 81.41 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.411 -0.813 . . . . 10.0 108.885 178.219 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 53.0 mmtt -62.19 -31.34 71.85 Favored 'General case' 0 C--O 1.226 -0.148 0 CA-C-N 115.97 -0.559 . . . . 10.0 109.994 178.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 14.8 tp -64.78 -45.32 86.8 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.118 -0.697 . . . . 10.0 109.118 178.597 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 62.0 mtt85 -68.76 -34.44 75.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.737 -0.665 . . . . 10.0 110.727 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 417' ' ' GLU . . . . . 0.493 ' HG3' ' O ' ' D' ' 413' ' ' SER . 35.1 mt-10 -65.57 -21.67 66.62 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 116.0 -0.546 . . . . 10.0 109.918 178.643 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -89.17 -51.18 5.72 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 108.708 -0.849 . . . . 10.0 108.708 177.644 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 67.1 mt -47.58 -50.53 23.76 Favored 'General case' 0 C--O 1.226 -0.143 0 CA-C-N 115.09 -0.959 . . . . 10.0 112.452 -179.446 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -47.5 -74.49 0.24 Allowed Glycine 0 CA--C 1.525 0.685 0 O-C-N 123.368 0.418 . . . . 10.0 113.669 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -60.38 -39.71 64.44 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.802 2.335 . . . . 10.0 112.767 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 37.6 t -60.75 -48.8 87.2 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.229 0 N-CA-C 112.126 0.417 . . . . 10.0 112.126 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 32.6 p -64.43 -33.75 76.59 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-O 120.775 0.321 . . . . 10.0 110.845 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -62.95 -51.17 67.91 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.623 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -73.67 -25.17 60.13 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.578 -0.449 . . . . 10.0 110.084 178.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 426' ' ' PHE . . . . . 0.519 ' O ' ' HG ' ' D' ' 430' ' ' LEU . 30.1 t80 -67.27 -34.89 78.38 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.345 -0.983 . . . . 10.0 108.345 177.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 427' ' ' TRP . . . . . 0.438 ' O ' ' HG3' ' D' ' 431' ' ' GLU . 7.5 m95 -61.83 -48.27 81.34 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.71 -0.848 . . . . 10.0 108.71 178.121 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -62.41 -35.85 80.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.547 -0.751 . . . . 10.0 110.129 178.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 429' ' ' ASN . . . . . 0.437 ' HB2' ' OE1' ' A' ' 348' ' ' GLU . 4.9 t30 -63.79 -45.52 89.31 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.733 -0.667 . . . . 10.0 109.22 178.016 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 430' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' D' ' 426' ' ' PHE . 88.7 mt -63.31 -41.09 98.9 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.664 -0.698 . . . . 10.0 109.61 178.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 431' ' ' GLU . . . . . 0.438 ' HG3' ' O ' ' D' ' 427' ' ' TRP . 11.7 mt-10 -63.77 -39.56 94.55 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.2 178.774 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -62.11 -40.61 96.48 Favored 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 109.181 -0.674 . . . . 10.0 109.181 178.26 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -66.73 -50.01 64.17 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.332 -0.849 . . . . 10.0 110.705 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 2.9 p -61.53 -47.99 83.04 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.967 -0.293 . . . . 10.0 111.32 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -64.73 -45.33 86.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.682 0.277 . . . . 10.0 111.223 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -63.46 -46.22 93.05 Favored Glycine 0 N--CA 1.448 -0.553 0 N-CA-C 111.385 -0.686 . . . . 10.0 111.385 179.273 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 437' ' ' LEU . . . . . 0.624 ' O ' ' HB2' ' D' ' 441' ' ' MET . 85.6 mt -66.3 -29.81 70.09 Favored 'General case' 0 C--O 1.218 -0.557 0 N-CA-C 110.618 -0.141 . . . . 10.0 110.618 179.204 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 31.5 mtt180 -64.75 -30.91 71.93 Favored 'General case' 0 CA--C 1.522 -0.129 0 O-C-N 123.012 0.195 . . . . 10.0 110.621 179.203 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -62.92 -46.74 86.39 Favored 'General case' 0 N--CA 1.457 -0.114 0 CA-C-N 116.143 -0.48 . . . . 10.0 110.246 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -82.72 -26.21 32.18 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.903 178.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 441' ' ' MET . . . . . 0.624 ' HB2' ' O ' ' D' ' 437' ' ' LEU . 0.0 OUTLIER -63.13 -48.03 80.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.421 -0.354 . . . . 10.0 111.019 -179.626 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 2.9 p -61.84 -44.22 97.27 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 109.54 -0.541 . . . . 10.0 109.54 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 443' ' ' LYS . . . . . 0.403 ' O ' ' HB2' ' D' ' 447' ' ' GLU . 28.7 mtpp -62.56 -42.01 99.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.584 -0.735 . . . . 10.0 110.02 178.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 444' ' ' ASP . . . . . 0.64 ' O ' ' HB ' ' D' ' 448' ' ' VAL . 4.1 t0 -63.55 -49.17 74.5 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.196 -0.456 . . . . 10.0 110.95 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 445' ' ' LEU . . . . . 0.501 ' O ' HG12 ' D' ' 448' ' ' VAL . 54.3 mt -65.53 -51.64 58.43 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.26 0.467 . . . . 10.0 112.26 -179.509 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -63.42 -44.51 94.39 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 111.945 0.35 . . . . 10.0 111.945 -179.248 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 447' ' ' GLU . . . . . 0.909 ' HB3' HH21 ' A' ' 330' ' ' ARG . 11.6 tt0 -71.57 -28.9 64.15 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.93 -0.308 . . . . 10.0 110.975 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 448' ' ' VAL . . . . . 0.64 ' HB ' ' O ' ' D' ' 444' ' ' ASP . 0.3 OUTLIER -69.23 -30.14 45.05 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 CA-C-O 121.074 0.464 . . . . 10.0 110.215 179.418 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -65.83 -35.47 80.78 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.236 -1.024 . . . . 10.0 108.236 177.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -92.02 19.23 6.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.074 -0.966 . . . . 10.0 110.006 179.164 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 451' ' ' LYS . . . . . 0.752 ' HB3' H283 ' D' ' 601' ' ' PCW . 51.8 mttm -126.79 -51.41 1.46 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.612 -0.722 . . . . 10.0 110.12 179.583 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 452' ' ' VAL . . . . . 0.503 HG23 HG22 ' D' ' 448' ' ' VAL . 62.9 t -69.37 -48.47 67.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 10.0 111.037 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -51.29 -58.88 9.08 Favored Pre-proline 0 CA--C 1.537 0.444 0 N-CA-C 111.914 0.338 . . . . 10.0 111.914 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -63.4 -26.8 70.84 Favored 'Trans proline' 0 C--N 1.357 1.007 0 C-N-CA 121.935 1.757 . . . . 10.0 112.027 179.149 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 455' ' ' TYR . . . . . 0.587 ' HB2' ' O ' ' D' ' 451' ' ' LYS . 0.0 OUTLIER -75.94 -31.37 59.06 Favored 'General case' 0 CA--C 1.519 -0.236 0 N-CA-C 109.773 -0.454 . . . . 10.0 109.773 179.093 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 456' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' D' ' 452' ' ' VAL . 84.6 mt -63.57 -38.19 90.2 Favored 'General case' 0 CA--C 1.514 -0.412 0 N-CA-C 108.27 -1.011 . . . . 10.0 108.27 177.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -69.3 -43.49 73.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.182 -0.917 . . . . 10.0 109.133 178.224 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -60.44 -41.68 94.55 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 115.641 -0.709 . . . . 10.0 109.885 178.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -71.33 -40.73 70.57 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.444 -0.798 . . . . 10.0 110.053 178.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -58.06 -40.05 80.0 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.423 179.255 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 461' ' ' LYS . . . . . 0.457 ' O ' ' HG3' ' D' ' 465' ' ' GLU . 52.2 mttt -59.64 -50.18 74.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.037 -0.528 . . . . 10.0 109.896 178.765 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 26.3 mtmm -67.24 -36.01 80.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.82 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 8.5 m0 -65.0 -40.55 95.12 Favored 'General case' 0 CA--C 1.515 -0.394 0 N-CA-C 109.349 -0.612 . . . . 10.0 109.349 178.388 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -68.98 -40.32 78.87 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.72 -0.673 . . . . 10.0 109.25 178.287 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 465' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' D' ' 461' ' ' LYS . 42.7 mt-10 -57.44 -52.01 67.1 Favored 'General case' 0 C--O 1.222 -0.382 0 N-CA-C 108.577 -0.898 . . . . 10.0 108.577 177.811 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 466' ' ' GLU . . . . . 0.418 ' HG3' ' CZ ' ' D' ' 470' ' ' TYR . 1.7 tp10 -60.95 -45.36 95.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.703 -0.68 . . . . 10.0 110.747 179.602 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 40.3 ttm -58.29 -49.7 76.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.429 -0.35 . . . . 10.0 110.526 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -66.25 -37.95 86.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.475 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 469' ' ' LEU . . . . . 0.554 HD22 ' HE3' ' D' ' 473' ' ' LYS . 54.7 mt -62.9 -43.89 97.58 Favored 'General case' 0 C--O 1.222 -0.343 0 O-C-N 123.574 0.546 . . . . 10.0 110.282 178.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 470' ' ' TYR . . . . . 0.418 ' CZ ' ' HG3' ' D' ' 466' ' ' GLU . 19.2 m-30 -61.33 -32.06 71.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.073 0.463 . . . . 10.0 110.441 179.222 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 471' ' ' ARG . . . . . 0.879 ' HA ' ' HG3' ' D' ' 475' ' ' GLU . 91.5 mtt180 -72.82 -23.78 60.82 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.434 179.212 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -104.67 -0.23 27.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.128 0.49 . . . . 10.0 111.397 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 473' ' ' LYS . . . . . 0.714 ' HG2' HD22 ' A' ' 301' ' ' LEU . 97.8 mttt -125.62 -73.53 0.63 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.906 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 58.1 t -53.69 -45.31 60.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 N-CA-C 112.367 0.506 . . . . 10.0 112.367 -178.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 475' ' ' GLU . . . . . 0.879 ' HG3' ' HA ' ' D' ' 471' ' ' ARG . 3.3 mt-10 -58.54 -61.09 8.33 Favored Pre-proline 0 CA--C 1.535 0.397 0 N-CA-C 112.575 0.583 . . . . 10.0 112.575 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -61.69 -33.96 84.83 Favored 'Trans proline' 0 C--N 1.353 0.806 0 C-N-CA 121.708 1.605 . . . . 10.0 111.154 178.124 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 20.2 mt -63.46 -36.85 85.11 Favored 'General case' 0 C--O 1.221 -0.403 0 N-CA-C 109.411 -0.588 . . . . 10.0 109.411 178.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 478' ' ' ARG . . . . . 0.449 ' O ' ' HB2' ' D' ' 482' ' ' GLN . 29.9 mtt180 -63.85 -28.72 70.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.438 -0.346 . . . . 10.0 110.377 178.826 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -74.06 -46.2 44.65 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 108.627 -0.879 . . . . 10.0 108.627 178.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.42 -40.96 96.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.85 -0.614 . . . . 10.0 109.426 178.302 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 53.9 mt -66.74 -29.61 69.62 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 115.693 -0.685 . . . . 10.0 110.115 178.522 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 482' ' ' GLN . . . . . 0.449 ' HB2' ' O ' ' D' ' 478' ' ' ARG . 15.9 tt0 -70.72 -43.27 69.27 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 108.675 -0.861 . . . . 10.0 108.675 178.468 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -64.91 -43.66 92.09 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.566 -0.743 . . . . 10.0 109.122 178.451 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -63.83 -38.84 96.73 Favored Glycine 0 N--CA 1.446 -0.657 0 N-CA-C 110.819 -0.912 . . . . 10.0 110.819 178.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -65.57 -44.89 85.33 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 109.438 -0.578 . . . . 10.0 109.438 178.331 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 80.1 mtt180 -57.75 -44.93 86.45 Favored 'General case' 0 CA--C 1.52 -0.205 0 N-CA-C 108.924 -0.769 . . . . 10.0 108.924 178.47 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 487' ' ' GLN . . . . . 0.423 ' O ' ' HG3' ' D' ' 491' ' ' GLU . 8.0 mm100 -62.98 -47.29 83.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.207 -0.906 . . . . 10.0 111.196 179.012 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 29.1 tttt -62.49 -40.0 95.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.006 0.431 . . . . 10.0 110.023 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 84.5 mt -64.23 -37.11 86.3 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 109.325 -0.62 . . . . 10.0 109.325 178.298 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -63.96 -45.66 88.16 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 108.55 -0.907 . . . . 10.0 108.55 178.334 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 491' ' ' GLU . . . . . 0.423 ' HG3' ' O ' ' D' ' 487' ' ' GLN . 51.3 mt-10 -58.98 -41.66 88.13 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 115.779 -0.646 . . . . 10.0 109.289 178.411 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 41.8 mt -67.59 -44.38 78.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.369 -0.832 . . . . 10.0 110.777 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -61.08 -33.84 73.97 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 121.232 0.539 . . . . 10.0 110.273 179.028 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -73.55 0.05 13.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.505 -0.771 . . . . 10.0 111.387 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 495' ' ' LYS . . . . . 0.574 ' O ' ' HB2' ' D' ' 499' ' ' LEU . 30.7 mttp -121.92 -38.64 2.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.874 -0.603 . . . . 10.0 109.392 178.661 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 496' ' ' LEU . . . . . 0.455 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 79.8 mt -60.82 -32.95 72.3 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.975 -0.557 . . . . 10.0 111.78 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 497' ' ' SER . . . . . 0.577 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 6.0 m -76.69 -65.37 0.41 Allowed Pre-proline 0 CA--C 1.54 0.579 0 N-CA-C 112.036 0.384 . . . . 10.0 112.036 179.598 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 498' ' ' PRO . . . . . 0.577 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 33.0 Cg_endo -65.41 -55.2 0.48 Allowed 'Trans proline' 0 C--N 1.354 0.828 0 C-N-CA 121.928 1.752 . . . . 10.0 113.068 -179.344 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 499' ' ' LEU . . . . . 0.574 ' HB2' ' O ' ' D' ' 495' ' ' LYS . 45.2 mt -66.11 -28.4 68.78 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 110.44 -0.208 . . . . 10.0 110.44 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 500' ' ' GLY . . . . . 0.455 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -66.46 -47.54 69.32 Favored Glycine 0 N--CA 1.447 -0.58 0 N-CA-C 109.682 -1.367 . . . . 10.0 109.682 178.084 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -63.29 -39.28 94.15 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 108.842 -0.799 . . . . 10.0 108.842 177.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 502' ' ' GLU . . . . . 0.489 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 34.9 mt-10 -59.79 -48.47 81.55 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 115.63 -0.713 . . . . 10.0 109.353 178.408 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 81.4 mmm -58.95 -38.06 78.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.028 0.442 . . . . 10.0 110.573 179.057 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 504' ' ' ARG . . . . . 0.417 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 61.8 mtt180 -67.51 -44.68 77.84 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 109.47 -0.567 . . . . 10.0 109.47 178.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -65.86 -40.28 91.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.763 179.461 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 506' ' ' ARG . . . . . 0.5 ' HD3' ' OE1' ' A' ' 268' ' ' GLU . 46.0 mtt180 -62.8 -45.43 92.65 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 108.39 -0.967 . . . . 10.0 108.39 178.23 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -60.27 -38.77 84.58 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.821 -0.627 . . . . 10.0 109.506 178.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 508' ' ' ARG . . . . . 0.417 ' HG3' ' O ' ' D' ' 504' ' ' ARG . 49.3 mtt180 -61.64 -48.69 79.72 Favored 'General case' 0 C--O 1.218 -0.577 0 N-CA-C 109.21 -0.663 . . . . 10.0 109.21 178.1 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 509' ' ' ALA . . . . . 0.842 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -62.48 -37.44 85.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.3 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 510' ' ' HIS . . . . . 0.572 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 20.2 m-70 -70.41 -52.12 24.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.294 -0.412 . . . . 10.0 110.434 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 511' ' ' VAL . . . . . 0.436 ' O ' ' HG3' ' D' ' 515' ' ' ARG . 77.4 t -63.21 -42.54 96.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.439 -0.346 . . . . 10.0 111.14 179.753 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -61.05 -37.26 82.01 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.638 -0.504 . . . . 10.0 109.638 179.455 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 513' ' ' ALA . . . . . 0.433 ' HB2' ' NZ ' ' A' ' 264' ' ' LYS . . . -66.43 -45.64 79.18 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.631 -0.877 . . . . 10.0 108.631 178.07 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 514' ' ' LEU . . . . . 0.585 ' HA ' ' HB2' ' D' ' 517' ' ' HIS . 89.9 mt -57.99 -27.4 63.45 Favored 'General case' 0 C--O 1.23 0.06 0 CA-C-N 115.915 -0.584 . . . . 10.0 111.184 179.47 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 515' ' ' ARG . . . . . 0.436 ' HG3' ' O ' ' D' ' 511' ' ' VAL . 75.0 mtt180 -63.79 -23.63 67.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.028 0.442 . . . . 10.0 110.067 178.606 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 1.5 m -118.92 -1.17 11.05 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.171 0.51 . . . . 10.0 110.332 179.461 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 517' ' ' HIS . . . . . 0.585 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 36.7 m170 -106.58 -45.2 4.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.09 -0.504 . . . . 10.0 111.624 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 54.0 mt -94.89 -46.03 7.03 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.777 0.288 . . . . 10.0 111.777 -179.397 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 519' ' ' ALA . . . . . 0.719 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -54.31 -58.77 12.31 Favored Pre-proline 0 CA--C 1.537 0.462 0 N-CA-C 112.22 0.452 . . . . 10.0 112.22 -179.681 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 520' ' ' PRO . . . . . 0.719 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 32.4 Cg_exo -63.31 -28.11 72.01 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 121.951 1.767 . . . . 10.0 110.633 178.587 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 521' ' ' TYR . . . . . 0.435 ' HB2' ' O ' ' D' ' 517' ' ' HIS . 40.0 t80 -64.33 -48.18 76.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.975 -0.557 . . . . 10.0 109.958 179.169 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 522' ' ' SER . . . . . 0.491 ' O ' ' HG3' ' D' ' 526' ' ' ARG . 0.3 OUTLIER -64.9 -31.22 72.36 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.598 -0.519 . . . . 10.0 109.598 178.849 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -68.13 -46.18 71.57 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.933 -0.576 . . . . 10.0 109.475 178.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -65.91 -32.74 74.41 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.738 -0.664 . . . . 10.0 109.258 178.123 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 525' ' ' LEU . . . . . 0.497 ' O ' ' HG ' ' D' ' 529' ' ' LEU . 33.8 mt -66.36 -35.97 81.68 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.313 178.641 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 526' ' ' ARG . . . . . 0.491 ' HG3' ' O ' ' D' ' 522' ' ' SER . 77.6 mtt180 -58.74 -35.09 72.15 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.396 -0.366 . . . . 10.0 110.496 179.587 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -66.5 -37.95 86.18 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.103 -0.498 . . . . 10.0 110.184 179.15 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 528' ' ' ARG . . . . . 0.424 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 28.8 mtt180 -74.95 -42.58 57.4 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.311 -0.626 . . . . 10.0 109.311 179.251 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 529' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' D' ' 525' ' ' LEU . 70.8 mt -63.04 -30.99 72.03 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 115.699 -0.682 . . . . 10.0 110.937 179.388 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 530' ' ' ALA . . . . . 0.489 ' O ' ' HB2' ' D' ' 534' ' ' GLU . . . -63.86 -36.68 84.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.145 0.498 . . . . 10.0 109.767 178.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -78.16 -36.87 47.05 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.418 -0.81 . . . . 10.0 109.022 179.089 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -62.82 -51.16 68.13 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.595 -0.73 . . . . 10.0 109.841 178.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 61.6 mt -66.11 -34.18 77.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.795 -0.639 . . . . 10.0 110.265 179.375 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 534' ' ' GLU . . . . . 0.489 ' HB2' ' O ' ' D' ' 530' ' ' ALA . 31.6 tt0 -61.78 -46.94 87.38 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.504 -0.554 . . . . 10.0 109.504 178.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -66.12 -39.82 90.19 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.287 -0.87 . . . . 10.0 109.362 179.203 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 31.9 mt -63.97 -34.45 78.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.221 -0.445 . . . . 10.0 111.352 179.503 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 38.6 mtmt -79.45 -37.92 35.84 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.218 -0.446 . . . . 10.0 111.136 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.06 -53.53 9.79 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.607 0.241 . . . . 10.0 111.055 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -68.49 -32.33 72.23 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.122 -0.695 . . . . 10.0 109.122 179.333 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 540' ' ' GLY . . . . . 0.423 ' O ' ' HG ' ' D' ' 544' ' ' LEU . . . -69.54 -44.94 61.79 Favored Glycine 0 N--CA 1.443 -0.833 0 N-CA-C 110.427 -1.069 . . . . 10.0 110.427 178.44 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -61.75 -42.34 99.74 Favored Glycine 0 N--CA 1.448 -0.505 0 N-CA-C 110.554 -1.019 . . . . 10.0 110.554 178.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -62.19 -45.89 91.38 Favored 'General case' 0 N--CA 1.453 -0.275 0 N-CA-C 109.122 -0.696 . . . . 10.0 109.122 178.356 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 543' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' D' ' 543' ' ' ARG . 41.8 mtt180 -64.93 -34.6 78.81 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.287 179.077 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 544' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' D' ' 540' ' ' GLY . 31.3 mt -63.42 -38.58 91.71 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.266 -0.642 . . . . 10.0 109.266 178.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -69.58 -41.47 75.76 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 108.863 -0.792 . . . . 10.0 108.863 178.163 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -63.06 -49.1 75.87 Favored 'General case' 0 N--CA 1.461 0.076 0 CA-C-N 115.676 -0.693 . . . . 10.0 109.872 178.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -62.67 -38.47 90.45 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.208 179.331 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 20.2 t-80 -66.61 -45.34 79.45 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.698 0.285 . . . . 10.0 110.264 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 549' ' ' ALA . . . . . 0.614 ' O ' ' HG3' ' D' ' 553' ' ' GLU . . . -65.73 -43.86 87.73 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.33 -0.618 . . . . 10.0 109.33 178.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 550' ' ' LYS . . . . . 0.451 ' HB2' ' HE2' ' D' ' 550' ' ' LYS . 2.5 ttmm -65.28 -24.35 67.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.765 -0.652 . . . . 10.0 111.351 179.683 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -67.07 -43.56 82.31 Favored 'General case' 0 CA--C 1.516 -0.355 0 N-CA-C 108.815 -0.809 . . . . 10.0 108.815 178.483 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.48 -33.66 67.14 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.737 -0.665 . . . . 10.0 109.467 178.642 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 553' ' ' GLU . . . . . 0.614 ' HG3' ' O ' ' D' ' 549' ' ' ALA . 38.6 mt-10 -61.03 -51.25 70.01 Favored 'General case' 0 CA--C 1.52 -0.192 0 N-CA-C 108.741 -0.837 . . . . 10.0 108.741 178.135 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -68.32 -27.86 66.66 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.126 -0.943 . . . . 10.0 110.206 179.483 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 54.8 tp -63.77 -42.91 97.7 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.432 -0.581 . . . . 10.0 109.432 178.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 7.8 m -66.21 -32.36 73.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.356 -0.838 . . . . 10.0 109.708 178.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 37.7 m -72.78 -39.62 66.6 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.764 -0.653 . . . . 10.0 109.274 178.47 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 50.9 mt -64.35 -48.57 75.02 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 115.626 -0.716 . . . . 10.0 110.52 179.045 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 5.3 p -64.52 -36.51 84.43 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.649 0.261 . . . . 10.0 110.538 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -60.89 -31.36 70.85 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.548 179.199 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.34 26.73 10.37 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.563 179.472 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -120.69 -51.8 2.14 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.829 -0.623 . . . . 10.0 109.655 178.588 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 563' ' ' LYS . . . . . 0.474 ' HB2' ' HD3' ' D' ' 564' ' ' PRO . 94.9 mttt -56.6 -60.69 8.51 Favored Pre-proline 0 CA--C 1.534 0.348 0 CA-C-N 115.76 -0.654 . . . . 10.0 112.226 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 564' ' ' PRO . . . . . 0.474 ' HD3' ' HB2' ' D' ' 563' ' ' LYS . 57.8 Cg_endo -70.83 -26.45 22.54 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 121.483 1.456 . . . . 10.0 111.422 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -64.64 -53.22 51.0 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 116.361 -0.382 . . . . 10.0 110.198 179.528 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 95.6 mt -61.68 -39.33 91.05 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.876 0.37 . . . . 10.0 110.173 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -61.48 -56.29 21.75 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.947 179.301 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -63.88 -43.88 94.72 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.807 -0.633 . . . . 10.0 111.812 -179.194 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 19.5 mt -60.38 -44.17 95.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.403 -0.362 . . . . 10.0 111.102 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 570' ' ' ARG . . . . . 0.431 HH11 ' HD2' ' D' ' 570' ' ' ARG . 56.5 mtt85 -68.31 -42.38 79.49 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.949 -0.301 . . . . 10.0 110.743 179.124 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -64.86 -19.13 65.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.35 -0.387 . . . . 10.0 110.708 179.034 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -95.54 -31.08 7.67 Favored Glycine 0 N--CA 1.447 -0.605 0 N-CA-C 110.721 -0.952 . . . . 10.0 110.721 178.435 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 573' ' ' LEU . . . . . 0.488 ' HA ' HG12 ' D' ' 576' ' ' VAL . 13.8 mt -69.64 -37.12 76.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.362 -0.419 . . . . 10.0 111.06 179.274 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 574' ' ' LEU . . . . . 0.612 ' O ' ' HG2' ' D' ' 578' ' ' GLU . 43.6 mt -55.16 -62.72 3.86 Favored Pre-proline 0 CA--C 1.535 0.382 0 N-CA-C 111.979 0.363 . . . . 10.0 111.979 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 575' ' ' PRO . . . . . 0.442 ' HD3' ' HB2' ' D' ' 574' ' ' LEU . 30.2 Cg_endo -64.12 -34.62 56.9 Favored 'Trans proline' 0 C--N 1.354 0.839 0 C-N-CA 122.003 1.802 . . . . 10.0 112.244 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 576' ' ' VAL . . . . . 0.488 HG12 ' HA ' ' D' ' 573' ' ' LEU . 0.5 OUTLIER -66.02 -38.0 81.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 120.371 -0.532 . . . . 10.0 110.286 179.626 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 577' ' ' LEU . . . . . 0.409 ' O ' ' HG3' ' D' ' 581' ' ' LYS . 34.2 mt -69.92 -36.52 75.4 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 109.834 -0.432 . . . . 10.0 109.834 178.753 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 578' ' ' GLU . . . . . 0.612 ' HG2' ' O ' ' D' ' 574' ' ' LEU . 21.3 mm-40 -61.7 -42.83 99.47 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 108.715 -0.846 . . . . 10.0 108.715 177.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 10.8 m -67.6 -38.22 83.67 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.361 -0.836 . . . . 10.0 110.155 179.017 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 6.6 m-30 -65.14 -40.06 93.89 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-N 115.931 -0.577 . . . . 10.0 109.951 178.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 581' ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' D' ' 577' ' ' LEU . 92.8 mttt -57.79 -47.49 82.4 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.334 -0.617 . . . . 10.0 109.334 178.562 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 88.8 t -60.1 -41.82 87.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.846 -0.616 . . . . 10.0 111.385 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -71.12 -40.98 71.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.794 0.33 . . . . 10.0 111.288 -179.472 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -70.56 -39.95 73.65 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.552 -0.295 . . . . 10.0 111.214 179.304 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 585' ' ' LEU . . . . . 0.403 ' O ' ' HB2' ' D' ' 589' ' ' GLU . 23.9 mt -59.6 -49.9 75.95 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.485 -0.325 . . . . 10.0 110.164 179.112 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 6.2 p -66.47 -37.42 85.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.516 179.434 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 587' ' ' ALA . . . . . 0.563 ' HA ' ' HZ3' ' A' ' 396' ' ' LYS . . . -59.64 -57.97 10.6 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.15 -0.477 . . . . 10.0 110.679 179.206 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 63.2 mt -61.19 -43.09 99.44 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.256 -0.429 . . . . 10.0 111.175 -179.467 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 589' ' ' GLU . . . . . 0.475 ' O ' ' HG3' ' D' ' 593' ' ' LYS . 20.1 tt0 -59.32 -54.81 42.51 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.924 -0.58 . . . . 10.0 111.307 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -67.38 -30.13 69.83 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.274 0.472 . . . . 10.0 112.274 -179.323 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 1.4 m-30 -63.8 -45.74 88.31 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.05 0.453 . . . . 10.0 110.078 178.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 4.9 m -64.56 -20.06 66.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.653 -0.703 . . . . 10.0 111.341 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 593' ' ' LYS . . . . . 0.475 ' HG3' ' O ' ' D' ' 589' ' ' GLU . 83.3 mttt -82.25 -41.89 19.61 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.082 0.468 . . . . 10.0 110.26 179.587 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 594' ' ' LYS . . . . . 0.461 ' HE2' ' HB2' ' A' ' 388' ' ' SER . 11.9 mptt -74.57 -32.37 62.38 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.706 -0.679 . . . . 10.0 111.393 -179.685 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 87.3 mt -104.77 26.19 9.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.004 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 . . . . . 0 C--N 1.326 -0.415 0 CA-C-N 116.196 -0.457 . . . . 10.0 111.497 -179.592 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 15.2 m . . . . . 0 C--O 1.235 0.314 0 CA-C-O 121.054 0.454 . . . . 10.0 110.793 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.59 134.16 35.18 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.348 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -103.17 131.18 50.4 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.0 0.428 . . . . 10.0 110.824 179.353 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -119.52 116.29 25.78 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.117 -0.697 . . . . 10.0 109.117 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.684 ' HA ' ' HB3' ' B' ' 54' ' ' ASP . 47.5 mttm -81.95 115.18 21.0 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.701 0.286 . . . . 10.0 110.955 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 8.4 mt -114.91 126.16 54.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.198 -0.455 . . . . 10.0 111.235 -178.473 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 40.1 t -111.83 125.2 69.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.225 -0.443 . . . . 10.0 109.828 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 8.0 t -90.79 112.15 24.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.316 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.4 HG23 ' HA ' ' B' ' 80' ' ' CYS . 17.5 m -108.57 144.92 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.086 -0.506 . . . . 10.0 111.073 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 158.77 164.38 14.24 Favored Glycine 0 N--CA 1.443 -0.878 0 N-CA-C 110.472 -1.051 . . . . 10.0 110.472 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.78 161.88 28.11 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.06 0.457 . . . . 10.0 110.968 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -73.36 118.38 16.24 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.289 0.566 . . . . 10.0 111.318 -179.663 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 122.65 -10.45 9.08 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.706 -0.759 . . . . 10.0 112.793 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 25.9 m -76.03 -15.35 15.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.861 0.362 . . . . 10.0 111.724 -179.451 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 89.42 25.45 28.22 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.929 -0.653 . . . . 10.0 112.664 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.481 ' H ' ' HG2' ' B' ' 16' ' ' LYS . 3.8 ptmm? -60.33 -34.86 74.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.584 0.23 . . . . 10.0 111.597 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 17' ' ' SER . . . . . 0.417 ' OG ' ' O3G' ' B' ' 201' ' ' GSP . 48.7 m -72.82 -45.91 55.93 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.697 -0.483 . . . . 10.0 109.697 179.066 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.96 -44.78 78.78 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.724 -0.671 . . . . 10.0 111.531 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.466 HD11 ' HB2' ' B' ' 116' ' ' ASN . 53.4 mt -59.88 -40.62 89.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.261 -0.427 . . . . 10.0 111.021 179.57 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 16.4 m -70.03 -45.24 67.6 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.108 -0.497 . . . . 10.0 110.659 179.572 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 95.5 mt -61.97 -34.75 64.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.761 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' GLN . . . . . 0.533 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 6.1 mm-40 -64.97 -19.49 66.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.115 -0.493 . . . . 10.0 111.563 179.493 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.403 HD22 ' CD2' ' B' ' 156' ' ' PHE . 11.1 tp -97.34 -36.46 10.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.071 0.462 . . . . 10.0 110.975 179.511 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 43.0 mm -79.31 -50.02 18.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.017 -0.538 . . . . 10.0 112.192 -178.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -106.68 -5.24 18.71 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.169 0.433 . . . . 10.0 112.169 -178.048 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' ASN . . . . . 0.533 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 89.4 m-20 56.12 44.15 25.71 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.992 -0.549 . . . . 10.0 112.473 179.325 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 5.2 p-80 -149.29 157.87 43.7 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.467 -0.333 . . . . 10.0 110.273 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -101.95 141.42 34.83 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.182 -0.463 . . . . 10.0 111.194 -179.185 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 16.2 m -100.71 129.02 52.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.781 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -90.78 -31.3 16.57 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.404 0.621 . . . . 10.0 110.128 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -86.94 145.85 26.38 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.323 -0.853 . . . . 10.0 110.783 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' TYR . . . . . 0.405 ' CG ' H5'2 ' B' ' 201' ' ' GSP . 1.2 t80 -102.16 115.8 31.32 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.945 -0.571 . . . . 10.0 110.673 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -109.54 127.63 26.84 Favored Pre-proline 0 C--N 1.32 -0.715 0 CA-C-N 115.664 -0.698 . . . . 10.0 110.054 179.411 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -57.6 112.39 1.12 Allowed 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.706 2.271 . . . . 10.0 111.317 179.253 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.459 ' OG1' ' O3G' ' B' ' 201' ' ' GSP . 12.1 m -95.81 119.39 34.22 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.236 -0.438 . . . . 10.0 111.707 -179.026 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.634 ' HA ' ' HB2' ' B' ' 59' ' ' ALA . 50.4 mm -100.86 -47.89 11.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 108.567 -0.901 . . . . 10.0 108.567 178.042 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -159.27 101.37 1.56 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.673 -0.694 . . . . 10.0 110.376 179.496 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -107.89 117.95 35.47 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.25 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 4.4 p -106.84 118.76 37.54 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.897 0.38 . . . . 10.0 110.838 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -129.88 136.38 49.46 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.286 -0.415 . . . . 10.0 111.245 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.47 ' HD2' ' OD1' ' B' ' 54' ' ' ASP . 0.3 OUTLIER -120.1 142.79 48.57 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.224 179.565 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 37.7 tttp -154.58 151.26 28.65 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.215 -0.661 . . . . 10.0 109.215 -179.387 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -129.68 121.82 27.73 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.842 0.353 . . . . 10.0 110.417 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' VAL . . . . . 0.508 HG23 HG13 ' B' ' 46' ' ' ILE . 6.3 m -135.72 173.28 14.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.481 -179.684 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 3.1 t -98.58 89.39 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.637 -0.505 . . . . 10.0 109.637 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' ILE . . . . . 0.508 HG13 HG23 ' B' ' 44' ' ' VAL . 78.0 mt -89.46 114.06 26.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.908 -179.457 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 59.91 28.2 17.67 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.693 -0.685 . . . . 10.0 111.684 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.8 -6.58 79.64 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.374 -0.917 . . . . 10.0 112.696 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -106.42 113.61 27.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.655 0.264 . . . . 10.0 110.867 -179.588 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.47 110.92 8.14 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.859 -0.793 . . . . 10.0 108.859 178.312 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -130.19 158.71 38.98 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 112.209 0.448 . . . . 10.0 112.209 -178.122 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 36.4 tp -97.5 126.63 42.9 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.535 -0.757 . . . . 10.0 109.976 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 6.5 mp -92.32 109.75 21.14 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.745 -0.661 . . . . 10.0 110.616 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' ASP . . . . . 0.684 ' HB3' ' HA ' ' B' ' 5' ' ' LYS . 26.2 t70 -93.55 80.52 4.32 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.279 -1.008 . . . . 10.0 108.279 178.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 8.7 mt -86.97 135.59 24.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 112.776 0.658 . . . . 10.0 112.776 -177.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 38.7 tp -131.92 105.67 7.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.589 -0.732 . . . . 10.0 110.245 179.288 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' ASP . . . . . 0.435 ' OD2' HG21 ' B' ' 35' ' ' THR . 25.0 t0 -93.12 103.69 15.96 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.288 -0.634 . . . . 10.0 109.288 179.66 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.33 154.86 18.42 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 112.581 0.586 . . . . 10.0 112.581 -178.709 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 59' ' ' ALA . . . . . 0.634 ' HB2' ' HA ' ' B' ' 36' ' ' ILE . . . -54.52 139.77 36.78 Favored 'General case' 0 C--N 1.334 -0.101 0 N-CA-C 112.781 0.66 . . . . 10.0 112.781 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -119.73 30.82 5.59 Favored Glycine 0 N--CA 1.45 -0.411 0 N-CA-C 110.523 -1.031 . . . . 10.0 110.523 179.087 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -95.81 26.84 3.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.252 -0.474 . . . . 10.0 110.636 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 57.66 -161.11 0.23 Allowed 'General case' 0 C--O 1.238 0.481 0 CA-C-N 115.463 -0.79 . . . . 10.0 111.642 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 75.4 -44.48 0.53 Allowed 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.861 -0.609 . . . . 10.0 112.533 178.675 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' TYR . . . . . 0.58 ' O ' ' HB2' ' B' ' 68' ' ' ARG . 63.3 m-85 -72.49 78.73 1.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.008 0.432 . . . . 10.0 111.034 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.94 -50.26 7.65 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.803 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.59 -28.73 33.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 10.0 111.121 -179.201 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 67' ' ' MET . . . . . 0.4 ' HB3' ' HB3' ' B' ' 64' ' ' TYR . 22.5 ttt -73.87 -33.67 64.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.469 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 68' ' ' ARG . . . . . 0.742 ' HA ' ' CE2' ' B' ' 71' ' ' TYR . 7.5 ttp180 -62.31 -32.96 73.78 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.487 -0.324 . . . . 10.0 111.185 -179.383 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -60.77 -26.72 67.46 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.695 -0.684 . . . . 10.0 111.921 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -66.4 -60.97 2.26 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 112.347 0.499 . . . . 10.0 112.347 -178.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 71' ' ' TYR . . . . . 0.742 ' CE2' ' HA ' ' B' ' 68' ' ' ARG . 0.1 OUTLIER -66.72 -27.58 67.74 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.7 0.63 . . . . 10.0 112.7 -178.92 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 72' ' ' MET . . . . . 0.433 ' HA ' ' CZ ' ' B' ' 78' ' ' PHE . 54.6 mtt -72.76 -12.85 61.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.459 0.647 . . . . 10.0 110.76 179.542 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -91.23 -45.46 8.62 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.67 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 2.5 m -80.72 -32.04 35.91 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.688 0.625 . . . . 10.0 112.688 -178.647 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.74 150.77 51.87 Favored Glycine 0 C--O 1.226 -0.384 0 C-N-CA 120.427 -0.892 . . . . 10.0 112.216 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -107.44 -45.84 3.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 117.084 0.442 . . . . 10.0 111.022 -179.56 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 77' ' ' GLY . . . . . 0.53 ' HA3' HD11 ' B' ' 163' ' ' ILE . . . -109.98 137.86 14.5 Favored Glycine 0 N--CA 1.445 -0.73 0 N-CA-C 110.983 -0.847 . . . . 10.0 110.983 179.278 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 78' ' ' PHE . . . . . 0.643 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 94.1 m-85 -118.43 114.57 23.09 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.157 0.503 . . . . 10.0 111.8 -179.266 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.509 HD13 HD22 ' B' ' 159' ' ' LEU . 9.2 tp -91.93 108.99 20.32 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.503 -0.771 . . . . 10.0 109.569 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 80' ' ' CYS . . . . . 0.521 ' HB3' HD12 ' B' ' 93' ' ' ILE . 6.8 m -87.06 101.05 13.09 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.625 -179.543 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 43.8 t -103.35 128.42 56.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.941 0.4 . . . . 10.0 111.246 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 21.6 p90 -133.94 172.12 13.25 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.226 -0.443 . . . . 10.0 109.96 179.191 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -116.57 131.94 56.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.48 -0.327 . . . . 10.0 111.408 -179.377 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 84' ' ' ILE . . . . . 0.578 HD12 ' HB3' ' B' ' 123' ' ' ARG . 15.6 pt -66.05 -23.04 31.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.962 -0.563 . . . . 10.0 111.592 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 19.6 p-10 -96.83 17.58 16.38 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.52 179.296 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -143.85 89.7 2.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.791 -0.641 . . . . 10.0 110.171 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -57.39 -30.96 65.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.816 -0.629 . . . . 10.0 111.565 -179.562 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -58.38 -47.38 84.04 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.708 -0.678 . . . . 10.0 111.304 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 89' ' ' SER . . . . . 0.51 ' O ' HG12 ' B' ' 93' ' ' ILE . 96.0 p -62.74 -30.42 71.42 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.532 -0.304 . . . . 10.0 111.712 -179.49 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -64.07 -39.98 95.25 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.573 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -77.55 -31.25 53.14 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.16 179.529 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -60.7 -33.75 73.34 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.853 -0.612 . . . . 10.0 111.105 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 93' ' ' ILE . . . . . 0.521 HD12 ' HB3' ' B' ' 80' ' ' CYS . 51.2 mm -57.04 -37.55 55.64 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.912 179.697 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 61.3 t60 -65.57 -47.51 75.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.925 -0.58 . . . . 10.0 110.133 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 60.9 m-70 -61.79 -37.92 86.15 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.014 -0.539 . . . . 10.0 110.815 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -63.95 -46.52 84.33 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 115.967 -0.561 . . . . 10.0 110.268 179.123 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 97' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' B' ' 97' ' ' ARG . 37.8 ttt-85 -58.83 -41.78 87.71 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.941 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -60.14 -42.33 94.62 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.046 -0.525 . . . . 10.0 111.541 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 99' ' ' GLN . . . . . 0.53 ' O ' HG23 ' B' ' 103' ' ' VAL . 48.9 tt0 -69.91 -45.21 68.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.399 -0.364 . . . . 10.0 111.09 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 84.4 mt -54.79 -44.37 71.14 Favored 'Isoleucine or valine' 0 C--O 1.238 0.487 0 CA-C-O 121.02 0.438 . . . . 10.0 110.834 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 101' ' ' LYS . . . . . 0.41 ' HB2' ' HE3' ' B' ' 101' ' ' LYS . 25.5 mtmt -66.37 -26.67 67.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.728 -0.669 . . . . 10.0 111.163 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 23.8 ttm180 -78.99 -41.1 29.84 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.942 0.401 . . . . 10.0 110.742 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 103' ' ' VAL . . . . . 0.53 HG23 ' O ' ' B' ' 99' ' ' GLN . 45.2 t -62.3 -51.49 71.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.037 -179.629 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -85.57 -10.6 55.69 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.378 -0.374 . . . . 10.0 111.625 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 55.68 41.45 30.44 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.691 0.758 . . . . 10.0 110.361 -178.764 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 10.7 t -140.77 135.86 31.92 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.043 -0.981 . . . . 10.0 109.573 -179.205 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -85.47 -23.82 27.64 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.265 0.555 . . . . 10.0 110.384 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -99.17 89.48 4.25 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.185 -0.461 . . . . 10.0 111.035 -179.043 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 55.0 t -121.08 129.65 25.19 Favored Pre-proline 0 C--O 1.236 0.394 0 CA-C-N 115.692 -0.685 . . . . 10.0 109.643 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -62.45 106.88 0.52 Allowed 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.805 2.337 . . . . 10.0 111.587 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 111' ' ' MET . . . . . 0.643 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 64.7 mtm -135.64 151.79 50.58 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.917 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 112' ' ' VAL . . . . . 0.419 ' HB ' HD12 ' B' ' 79' ' ' LEU . 92.4 t -132.52 133.8 59.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 109.686 -0.487 . . . . 10.0 109.686 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 16.8 tp -89.75 114.4 26.09 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.077 0.465 . . . . 10.0 109.802 179.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 63.2 t -113.06 122.5 67.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.961 -0.563 . . . . 10.0 111.355 -178.625 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -102.46 109.88 3.64 Favored Glycine 0 N--CA 1.447 -0.576 0 N-CA-C 110.811 -0.916 . . . . 10.0 110.811 178.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 116' ' ' ASN . . . . . 0.466 ' HB2' HD11 ' B' ' 19' ' ' LEU . 66.0 t30 -92.71 165.49 12.93 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 117.076 0.438 . . . . 10.0 111.24 -179.492 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 117' ' ' LYS . . . . . 0.583 ' HE2' ' C4 ' ' B' ' 201' ' ' GSP . 83.7 mttt 62.01 31.45 17.97 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 112.63 0.604 . . . . 10.0 112.63 179.203 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 118' ' ' CYS . . . . . 0.412 ' HA ' ' CD1' ' B' ' 84' ' ' ILE . 60.4 m -72.98 1.18 9.36 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.651 0.611 . . . . 10.0 112.651 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -101.09 1.76 39.67 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.825 0.345 . . . . 10.0 110.916 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 120' ' ' LEU . . . . . 0.433 ' HA ' ' HD3' ' B' ' 121' ' ' PRO . 54.9 mt -85.89 145.2 40.63 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.377 -0.374 . . . . 10.0 111.112 179.685 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 121' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' B' ' 120' ' ' LEU . 5.8 Cg_exo -79.46 150.7 22.25 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 122.996 2.464 . . . . 10.0 111.106 179.106 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 53.6 m 63.87 81.99 0.19 Allowed 'General case' 0 C--O 1.236 0.392 0 N-CA-C 112.63 0.604 . . . . 10.0 112.63 -179.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 123' ' ' ARG . . . . . 0.578 ' HB3' HD12 ' B' ' 84' ' ' ILE . 6.1 ptp180 -100.27 139.8 35.42 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.866 -0.606 . . . . 10.0 110.44 179.598 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 2.7 m -88.13 -43.56 11.57 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.091 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 125' ' ' VAL . . . . . 0.455 ' HB ' ' HA ' ' B' ' 84' ' ' ILE . 47.9 t -89.49 113.45 25.91 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 CA-C-N 115.839 -0.618 . . . . 10.0 109.639 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 126' ' ' ASP . . . . . 0.559 ' HB3' ' HG2' ' B' ' 128' ' ' LYS . 7.7 m-20 -80.53 149.32 30.03 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.534 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.52 -37.69 79.02 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.772 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 128' ' ' LYS . . . . . 0.559 ' HG2' ' HB3' ' B' ' 126' ' ' ASP . 14.8 ptpt -54.96 -45.13 74.89 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 113.147 0.795 . . . . 10.0 113.147 -179.398 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -75.61 -35.59 60.49 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.921 -0.312 . . . . 10.0 111.792 -179.261 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -69.16 -42.43 75.93 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.208 0.528 . . . . 10.0 111.042 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -68.38 -40.52 81.35 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.917 -0.583 . . . . 10.0 111.737 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 132' ' ' ASP . . . . . 0.415 ' HB2' ' HB3' ' C' ' 47' ' ' ASP . 17.8 t70 -63.23 -38.63 91.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.943 0.401 . . . . 10.0 110.617 179.428 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 21.7 tp -65.88 -44.89 84.02 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.118 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -58.39 -45.19 88.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.796 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 135' ' ' ARG . . . . . 0.547 ' HD3' ' CG ' ' C' ' 161' ' ' ARG . 33.6 ttp85 -59.93 -43.39 94.98 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.011 -0.54 . . . . 10.0 110.721 179.651 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 19.2 m -63.08 -23.72 67.57 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.032 -0.531 . . . . 10.0 111.873 -179.583 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 19.5 m-30 -99.36 -5.55 29.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.911 0.386 . . . . 10.0 111.659 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 76.44 28.04 60.42 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.939 -0.648 . . . . 10.0 113.041 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 45.4 pt -119.45 153.31 53.79 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 116.598 0.199 . . . . 10.0 110.737 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -86.32 153.84 9.35 Favored 'Trans proline' 0 N--CA 1.46 -0.455 0 C-N-CA 122.536 2.157 . . . . 10.0 111.602 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -124.44 132.65 53.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.469 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 2.6 mp -133.89 127.12 51.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.155 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -79.88 135.23 36.39 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 108.977 -0.749 . . . . 10.0 108.977 178.601 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 47.6 p -136.81 -178.77 5.33 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.518 0.675 . . . . 10.0 111.62 -178.285 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 10.5 t -167.26 119.39 0.92 Allowed 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 107.878 -1.156 . . . . 10.0 107.878 178.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 146' ' ' ALA . . . . . 0.418 ' N ' ' O6 ' ' B' ' 201' ' ' GSP . . . -76.79 -27.9 55.43 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.977 -0.749 . . . . 10.0 108.977 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 147' ' ' LYS . . . . . 0.457 ' HB2' ' N1 ' ' B' ' 201' ' ' GSP . 71.7 tttt -63.77 -46.19 86.39 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.78 -1.1 . . . . 10.0 111.635 179.532 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 40.6 p -101.87 -0.95 33.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.922 0.391 . . . . 10.0 111.077 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 30.1 ttt-85 59.77 46.51 11.41 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.688 -0.687 . . . . 10.0 111.231 -179.224 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -96.42 125.58 41.02 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.619 -0.718 . . . . 10.0 110.739 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 65.2 12.36 55.05 Favored Glycine 0 C--N 1.335 0.484 0 C-N-CA 121.46 -0.4 . . . . 10.0 113.896 178.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 31.2 t -59.57 -44.83 94.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.697 0.248 . . . . 10.0 111.505 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -75.86 -41.92 50.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.239 -0.437 . . . . 10.0 110.444 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -56.96 -37.72 71.97 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.614 0.598 . . . . 10.0 112.614 -178.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -56.58 -51.56 68.15 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.024 0.44 . . . . 10.0 111.079 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 156' ' ' PHE . . . . . 0.403 ' CD2' HD22 ' B' ' 23' ' ' LEU . 77.2 m-85 -70.09 -39.47 75.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.995 -0.548 . . . . 10.0 111.02 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -57.41 -48.37 79.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.677 179.485 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 158' ' ' THR . . . . . 0.5 ' O ' ' HG2' ' B' ' 162' ' ' GLU . 30.9 m -62.5 -43.56 98.52 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.954 -0.567 . . . . 10.0 111.196 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 159' ' ' LEU . . . . . 0.509 HD22 HD13 ' B' ' 79' ' ' LEU . 30.0 tp -58.55 -50.73 72.73 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.642 0.258 . . . . 10.0 111.264 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 74.3 t -61.25 -41.94 91.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.313 0.578 . . . . 10.0 110.263 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 22.1 ttp180 -62.86 -38.89 92.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.573 -0.739 . . . . 10.0 111.037 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 162' ' ' GLU . . . . . 0.5 ' HG2' ' O ' ' B' ' 158' ' ' THR . 60.4 mm-40 -65.61 -39.99 92.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.643 -0.253 . . . . 10.0 110.556 179.291 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 163' ' ' ILE . . . . . 0.53 HD11 ' HA3' ' B' ' 77' ' ' GLY . 67.3 mt -63.28 -44.39 99.13 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 N-CA-C 109.304 -0.628 . . . . 10.0 109.304 178.622 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 164' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' B' ' 164' ' ' ARG . 39.0 ttm180 -63.04 -42.73 99.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.712 -0.676 . . . . 10.0 109.332 179.102 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 30.9 ttmt -59.66 -41.9 91.63 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.546 -0.752 . . . . 10.0 109.507 178.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -57.79 -45.27 86.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.569 -0.741 . . . . 10.0 110.518 179.348 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -61.22 -40.68 94.92 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.922 0.391 . . . . 10.0 110.996 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -70.12 -46.19 65.32 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.605 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 46.7 mtpt -66.22 -35.17 79.73 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.772 -0.649 . . . . 10.0 111.857 -179.258 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 54.9 mmm -64.62 -22.49 66.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.426 -0.352 . . . . 10.0 111.327 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 19.3 m -78.75 -9.53 59.46 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.158 179.532 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -114.49 -29.0 6.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.085 -0.507 . . . . 10.0 111.033 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 173' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 69.58 -75.52 0.07 Allowed 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.407 0.622 . . . . 10.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . -179.94 -43.84 0.08 OUTLIER Glycine 0 N--CA 1.442 -0.9 0 N-CA-C 110.483 -1.047 . . . . 10.0 110.483 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 175' ' ' LYS . . . . . . . . . . . . . 13.7 mmtm -146.67 -177.27 5.55 Favored 'General case' 0 C--O 1.24 0.574 0 N-CA-C 109.906 -0.405 . . . . 10.0 109.906 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 176' ' ' LYS . . . . . . . . . . . . . 64.1 mmtt 58.88 40.91 22.13 Favored 'General case' 0 C--O 1.235 0.295 0 O-C-N 123.879 0.737 . . . . 10.0 112.742 178.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 177' ' ' LYS . . . . . 0.445 ' HA ' ' HE3' ' B' ' 177' ' ' LYS . 0.9 OUTLIER -110.87 -176.49 2.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.811 -0.177 . . . . 10.0 111.416 179.732 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 27.8 mttt 61.09 39.32 16.32 Favored 'General case' 0 N--CA 1.465 0.28 0 O-C-N 123.774 0.671 . . . . 10.0 110.309 -179.105 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 179' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -91.12 90.22 7.72 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.471 -0.786 . . . . 10.0 111.173 -179.258 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 180' ' ' LYS . . . . . 0.599 ' O ' ' H82' ' B' ' 204' ' ' PCW . 2.5 tmtp? -158.2 111.23 2.39 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.001 179.41 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 181' ' ' SER . . . . . 0.601 ' OG ' ' H52' ' B' ' 204' ' ' PCW . 16.3 m -140.54 154.29 46.47 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.156 -0.474 . . . . 10.0 110.67 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 182' ' ' LYS . . . . . 0.728 ' HE2' ' H1 ' ' A' ' 416' ' ' 17F . 70.9 tttt -79.35 80.56 5.7 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.266 0.555 . . . . 10.0 110.994 -179.489 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 5.7 t -139.95 -177.67 5.09 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.721 -0.672 . . . . 10.0 109.822 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 184' ' ' LYS . . . . . . . . . . . . . 51.1 tttm . . . . . 0 C--O 1.233 0.209 0 O-C-N 123.105 0.253 . . . . 10.0 110.537 -179.661 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 7.4 m . . . . . 0 N--CA 1.455 -0.211 0 CA-C-O 120.526 0.203 . . . . 10.0 111.044 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 2' ' ' THR . . . . . 0.623 ' HB ' ' CE2' ' C' ' 4' ' ' TYR . 0.0 OUTLIER -85.81 120.47 27.26 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.482 -0.327 . . . . 10.0 110.219 179.521 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -87.77 131.2 34.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.698 0.285 . . . . 10.0 110.619 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 4' ' ' TYR . . . . . 0.623 ' CE2' ' HB ' ' C' ' 2' ' ' THR . 97.8 m-85 -129.45 119.36 23.65 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.301 -0.408 . . . . 10.0 110.39 179.449 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 48.5 mttm -87.83 113.8 23.83 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.034 0.445 . . . . 10.0 110.016 179.449 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 6' ' ' LEU . . . . . 0.43 ' O ' ' HA ' ' C' ' 55' ' ' ILE . 17.3 mt -113.31 126.2 55.13 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.852 -0.613 . . . . 10.0 111.211 -178.05 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 46.4 t -112.88 123.66 68.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.295 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 3.0 t -87.12 123.14 39.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.229 -0.656 . . . . 10.0 109.229 179.124 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 27.7 m -119.13 156.73 21.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.975 0.417 . . . . 10.0 111.795 -179.21 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 146.11 171.32 15.45 Favored Glycine 0 N--CA 1.444 -0.788 0 N-CA-C 110.998 -0.841 . . . . 10.0 110.998 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.37 164.34 23.15 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.721 0.296 . . . . 10.0 110.412 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 12' ' ' ASP . . . . . 0.544 ' HA ' ' O1B' ' C' ' 201' ' ' GSP . 0.3 OUTLIER -78.54 142.47 37.35 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.955 -0.298 . . . . 10.0 110.509 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 13' ' ' GLY . . . . . 0.583 ' HA2' H5'1 ' C' ' 201' ' ' GSP . . . 91.48 3.49 69.08 Favored Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 116.007 -0.542 . . . . 10.0 113.466 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 14' ' ' VAL . . . . . 0.508 ' CG2' ' HG3' ' C' ' 16' ' ' LYS . 33.8 m -80.48 -30.91 12.55 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 N-CA-C 112.789 0.663 . . . . 10.0 112.789 -179.57 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 15' ' ' GLY . . . . . 0.521 ' CA ' ' H8 ' ' C' ' 201' ' ' GSP . . . 118.84 18.64 4.67 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.299 -0.953 . . . . 10.0 113.255 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 16' ' ' LYS . . . . . 0.508 ' HG3' ' CG2' ' C' ' 14' ' ' VAL . 54.1 mtmt -59.11 -41.72 88.83 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.022 0.439 . . . . 10.0 111.024 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 17' ' ' SER . . . . . 0.499 ' OG ' ' O3G' ' C' ' 201' ' ' GSP . 49.9 m -77.41 -38.46 49.73 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.145 -0.479 . . . . 10.0 110.446 -179.685 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.16 -43.02 96.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.401 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 19' ' ' LEU . . . . . 0.419 HD22 HG22 ' C' ' 152' ' ' VAL . 79.7 mt -64.74 -44.94 88.53 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.823 179.13 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 30.5 m -63.22 -46.67 85.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.969 -0.56 . . . . 10.0 111.554 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 98.2 mt -61.39 -34.07 59.56 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 CA-C-O 120.949 0.404 . . . . 10.0 110.485 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 22' ' ' GLN . . . . . 0.456 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 4.9 mm-40 -68.72 -13.89 62.67 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.586 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 24.6 tp -104.53 -36.3 7.57 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 120.961 0.41 . . . . 10.0 110.62 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 45.8 mm -76.74 -65.48 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.433 -0.349 . . . . 10.0 111.438 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -93.95 -13.93 26.52 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.901 0.382 . . . . 10.0 111.06 -179.1 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 26' ' ' ASN . . . . . 0.456 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 57.3 m-80 66.88 50.26 1.11 Allowed 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 113.545 0.943 . . . . 10.0 113.545 178.485 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 25.1 p80 -149.58 154.23 38.35 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.783 -0.19 . . . . 10.0 110.729 178.6 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -98.61 137.98 36.46 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.749 -0.205 . . . . 10.0 111.198 -179.522 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 2.0 m -103.13 123.3 56.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.457 . . . . 10.0 110.808 179.422 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -82.59 -22.13 34.95 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.27 0.557 . . . . 10.0 110.8 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -94.68 135.03 36.63 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.801 -0.636 . . . . 10.0 110.462 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 32' ' ' TYR . . . . . 0.762 ' HD1' H5'2 ' C' ' 201' ' ' GSP . 87.6 t80 -66.12 132.47 48.58 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.706 -0.225 . . . . 10.0 110.67 -179.536 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 33' ' ' ASP . . . . . 0.419 ' HA ' ' HD3' ' C' ' 34' ' ' PRO . 19.2 t70 -111.49 108.37 56.54 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 116.459 -0.337 . . . . 10.0 111.217 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 34' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' C' ' 33' ' ' ASP . 3.3 Cg_exo -81.14 70.42 7.49 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 123.2 2.6 . . . . 10.0 111.167 179.64 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 35' ' ' THR . . . . . 0.448 ' OG1' ' O3G' ' C' ' 201' ' ' GSP . 0.2 OUTLIER -67.28 156.45 36.35 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.132 -0.485 . . . . 10.0 111.498 -179.659 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 37.1 mm -102.23 -68.1 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 108.982 -0.747 . . . . 10.0 108.982 178.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -159.27 81.19 0.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.334 -0.848 . . . . 10.0 109.447 179.522 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -102.47 141.74 34.79 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.676 0.274 . . . . 10.0 111.108 -179.028 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -113.58 142.35 46.07 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.086 -0.506 . . . . 10.0 110.692 -179.658 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -132.38 135.56 46.22 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.537 -0.301 . . . . 10.0 110.406 -179.588 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -116.57 128.71 55.66 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.196 0.443 . . . . 10.0 112.196 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 34.8 tttp -142.74 133.48 25.35 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.813 -0.631 . . . . 10.0 109.694 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -107.69 110.79 22.73 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.846 0.355 . . . . 10.0 110.754 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 44' ' ' VAL . . . . . 0.478 HG23 HG13 ' C' ' 46' ' ' ILE . 3.8 m -122.82 -178.44 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.688 -179.683 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -113.09 69.92 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.967 0.413 . . . . 10.0 111.522 -179.183 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 46' ' ' ILE . . . . . 0.662 HD11 HD11 ' C' ' 53' ' ' LEU . 64.8 mt -73.92 124.47 31.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 CA-C-N 116.022 -0.535 . . . . 10.0 110.399 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 47' ' ' ASP . . . . . 0.415 ' HB3' ' HB2' ' B' ' 132' ' ' ASP . 66.6 m-20 67.04 14.65 9.91 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.899 -179.467 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.05 -39.81 2.65 Favored Glycine 0 N--CA 1.45 -0.417 0 CA-C-N 116.091 -0.504 . . . . 10.0 112.544 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -75.79 137.69 40.7 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.823 0.344 . . . . 10.0 111.704 -179.345 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 1.3 m -75.33 121.51 22.33 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.568 -0.901 . . . . 10.0 108.568 179.038 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -130.07 143.93 51.06 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.06 0.457 . . . . 10.0 112.068 -178.78 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 50.8 tp -97.74 112.58 24.41 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.677 -0.86 . . . . 10.0 108.677 178.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 53' ' ' LEU . . . . . 0.662 HD11 HD11 ' C' ' 46' ' ' ILE . 23.5 mt -94.42 124.5 38.48 Favored 'General case' 0 C--N 1.313 -1.017 0 N-CA-C 112.399 0.518 . . . . 10.0 112.399 -178.294 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -105.69 93.22 4.53 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.976 -1.12 . . . . 10.0 107.976 178.533 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 55' ' ' ILE . . . . . 0.43 ' HA ' ' O ' ' C' ' 6' ' ' LEU . 0.5 OUTLIER -91.11 146.83 5.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.216 -0.447 . . . . 10.0 111.922 -178.452 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 60.7 tp -133.51 121.17 21.78 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 115.677 -0.692 . . . . 10.0 111.072 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 57' ' ' ASP . . . . . 0.452 ' OD2' ' O3G' ' C' ' 201' ' ' GSP . 34.3 t70 -93.3 109.13 20.67 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.551 -0.75 . . . . 10.0 109.377 179.239 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 72.7 p -97.9 156.45 16.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.344 -0.389 . . . . 10.0 111.485 -178.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -82.18 128.72 34.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.198 -0.455 . . . . 10.0 110.811 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -99.41 32.21 7.43 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.754 -0.736 . . . . 10.0 112.18 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -89.94 12.3 17.88 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.563 0.22 . . . . 10.0 111.417 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 62' ' ' GLU . . . . . 0.629 ' HG3' ' H ' ' C' ' 63' ' ' GLU . 3.3 tp10 63.76 -160.54 0.3 Allowed 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.982 -0.554 . . . . 10.0 111.495 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 63' ' ' GLU . . . . . 0.629 ' H ' ' HG3' ' C' ' 62' ' ' GLU . 2.8 tt0 73.76 -49.32 0.68 Allowed 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 123.639 0.776 . . . . 10.0 113.046 178.712 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 64' ' ' TYR . . . . . 0.501 ' HB3' ' HB2' ' C' ' 67' ' ' MET . 23.7 m-85 -73.97 76.85 1.68 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.362 0.504 . . . . 10.0 112.362 -178.794 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.03 -41.67 15.57 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.888 -0.597 . . . . 10.0 110.282 179.265 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.52 -38.24 41.09 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.057 -0.519 . . . . 10.0 110.682 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 67' ' ' MET . . . . . 0.501 ' HB2' ' HB3' ' C' ' 64' ' ' TYR . 92.0 mtp -70.21 -16.13 63.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.094 0.473 . . . . 10.0 110.727 179.732 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 68' ' ' ARG . . . . . 0.551 ' HA ' ' CZ ' ' C' ' 71' ' ' TYR . 2.2 ttp180 -76.88 -35.22 57.58 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.65 -0.704 . . . . 10.0 110.478 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 69' ' ' ASP . . . . . 0.422 ' OD1' HG22 ' C' ' 103' ' ' VAL . 0.4 OUTLIER -58.39 -39.68 80.29 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.666 -0.697 . . . . 10.0 111.705 -178.728 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -54.85 -60.31 3.54 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 113.294 0.85 . . . . 10.0 113.294 -178.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 71' ' ' TYR . . . . . 0.551 ' CZ ' ' HA ' ' C' ' 68' ' ' ARG . 3.6 p90 -75.22 -21.48 58.61 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.263 0.838 . . . . 10.0 113.263 -178.812 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 72' ' ' MET . . . . . 0.916 ' HA ' ' HZ ' ' C' ' 78' ' ' PHE . 31.7 mtt -66.89 -38.84 87.03 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.12 0.486 . . . . 10.0 111.223 179.753 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 23.5 ttm105 -76.31 -24.82 54.36 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 6.4 m -86.12 -22.12 27.26 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.606 -179.452 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -72.22 141.12 30.8 Favored Glycine 0 C--O 1.239 0.428 0 C-N-CA 120.757 -0.735 . . . . 10.0 114.048 -178.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -95.84 -35.38 11.52 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 109.415 -0.587 . . . . 10.0 109.415 178.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -139.5 142.77 13.09 Favored Glycine 0 N--CA 1.445 -0.751 0 N-CA-C 110.498 -1.041 . . . . 10.0 110.498 179.093 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 78' ' ' PHE . . . . . 0.916 ' HZ ' ' HA ' ' C' ' 72' ' ' MET . 38.6 m-85 -120.23 125.25 47.68 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.258 0.551 . . . . 10.0 112.125 -179.04 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 79' ' ' LEU . . . . . 0.467 HD13 HD22 ' C' ' 159' ' ' LEU . 12.0 tp -96.16 106.25 18.42 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.451 -0.795 . . . . 10.0 109.907 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 80' ' ' CYS . . . . . 0.405 ' HB3' HG23 ' C' ' 93' ' ' ILE . 3.9 m -81.67 93.21 6.72 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.114 -0.493 . . . . 10.0 109.685 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 59.6 t -99.59 126.75 52.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.321 -0.399 . . . . 10.0 111.558 -178.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -134.4 168.04 19.64 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.301 -0.629 . . . . 10.0 109.301 178.494 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 83' ' ' ALA . . . . . 0.407 ' HB3' ' HB3' ' C' ' 86' ' ' ASN . . . -104.37 127.27 52.01 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 110.038 -0.356 . . . . 10.0 110.038 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 84' ' ' ILE . . . . . 0.552 HD12 ' HB3' ' C' ' 123' ' ' ARG . 17.5 pt -64.13 -19.57 25.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.474 -0.33 . . . . 10.0 111.681 -179.664 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 -97.38 6.01 48.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.414 -0.357 . . . . 10.0 110.94 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 86' ' ' ASN . . . . . 0.407 ' HB3' ' HB3' ' C' ' 83' ' ' ALA . 22.9 t-20 -133.77 98.9 4.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.066 0.46 . . . . 10.0 110.792 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.25 -37.17 74.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.679 -0.692 . . . . 10.0 112.219 -179.28 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -56.22 -48.59 76.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.888 0.375 . . . . 10.0 111.372 -179.495 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 84.4 p -61.48 -31.48 71.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.283 -0.417 . . . . 10.0 111.832 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -68.02 -45.34 74.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.704 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -70.32 -33.39 71.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.964 -0.562 . . . . 10.0 111.274 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.06 -25.48 65.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.717 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 93' ' ' ILE . . . . . 0.405 HG23 ' HB3' ' C' ' 80' ' ' CYS . 50.2 mm -61.77 -32.17 53.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.986 179.79 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -65.99 -41.47 91.06 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.548 -0.538 . . . . 10.0 109.548 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -61.42 -41.1 96.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.6 -0.727 . . . . 10.0 110.021 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -67.25 -43.13 82.66 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.75 -0.659 . . . . 10.0 110.943 179.036 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -54.91 -48.54 72.93 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-O 120.744 0.307 . . . . 10.0 111.812 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -68.07 -39.56 82.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.415 -0.357 . . . . 10.0 111.637 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 99' ' ' GLN . . . . . 0.566 ' O ' HG23 ' C' ' 103' ' ' VAL . 24.0 tt0 -62.57 -51.49 67.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.451 . . . . 10.0 111.154 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 76.2 mt -56.34 -44.02 78.69 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 CA-C-O 120.978 0.418 . . . . 10.0 110.985 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -62.09 -32.9 73.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.803 -0.635 . . . . 10.0 111.57 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 7.3 tmm_? -78.52 -37.37 43.22 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.609 -0.269 . . . . 10.0 110.979 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 103' ' ' VAL . . . . . 0.566 HG23 ' O ' ' C' ' 99' ' ' GLN . 98.3 t -62.22 -52.97 53.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.29 -0.414 . . . . 10.0 111.498 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -86.15 -5.5 59.19 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.555 -0.293 . . . . 10.0 111.579 -179.207 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 36.6 t70 51.64 63.37 2.27 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.536 -0.756 . . . . 10.0 111.803 -178.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 63.4 m -156.89 142.14 17.31 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.524 -0.762 . . . . 10.0 109.715 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -84.93 -20.17 31.08 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.09 0.471 . . . . 10.0 110.547 179.44 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -112.35 96.53 6.06 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.821 -179.279 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -122.71 130.63 24.56 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 115.742 -0.663 . . . . 10.0 109.345 179.664 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -56.53 105.13 0.16 Allowed 'Trans proline' 0 C--O 1.235 0.362 0 C-N-CA 122.988 2.459 . . . . 10.0 112.364 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 111' ' ' MET . . . . . . . . . . . . . 65.7 mtt -130.97 149.49 52.57 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.967 -0.56 . . . . 10.0 110.42 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 112' ' ' VAL . . . . . 0.419 ' HB ' HD12 ' C' ' 79' ' ' LEU . 77.0 t -135.79 125.3 40.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 108.93 -0.767 . . . . 10.0 108.93 178.264 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 16.1 tp -84.37 119.24 24.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.898 0.38 . . . . 10.0 110.201 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 65.2 t -120.3 121.74 66.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.107 0.479 . . . . 10.0 111.358 -178.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -100.65 102.26 2.42 Favored Glycine 0 N--CA 1.448 -0.536 0 N-CA-C 110.775 -0.93 . . . . 10.0 110.775 178.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -87.65 168.92 12.59 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.81 0.338 . . . . 10.0 111.672 -178.414 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 82.2 mttt 67.72 31.66 5.82 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 115.41 -0.814 . . . . 10.0 111.623 179.096 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 118' ' ' CYS . . . . . 0.55 ' HA ' ' CD1' ' C' ' 84' ' ' ILE . 58.5 m -71.33 -1.26 12.28 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 112.375 0.509 . . . . 10.0 112.375 -179.589 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -89.22 -25.42 21.76 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.5 -0.555 . . . . 10.0 109.5 178.547 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 61.1 mt -70.85 126.69 92.18 Favored Pre-proline 0 N--CA 1.449 -0.486 0 CA-C-N 115.848 -0.615 . . . . 10.0 110.577 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -75.26 158.65 41.08 Favored 'Trans proline' 0 CA--C 1.529 0.235 0 C-N-CA 122.942 2.428 . . . . 10.0 111.992 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 12.8 m 64.26 66.09 0.64 Allowed 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.756 0.789 . . . . 10.0 111.934 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 123' ' ' ARG . . . . . 0.552 ' HB3' HD12 ' C' ' 84' ' ' ILE . 16.3 ptp180 -79.29 151.27 31.19 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.254 -0.885 . . . . 10.0 111.034 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.74 -37.9 12.1 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.47 -0.332 . . . . 10.0 110.509 178.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 58.0 t -98.24 121.04 48.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 109.788 -0.449 . . . . 10.0 109.788 179.215 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 126' ' ' ASP . . . . . 0.512 ' OD1' ' HG2' ' C' ' 128' ' ' LYS . 9.8 t70 -77.44 152.18 34.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.575 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 5.9 m -60.55 -43.51 97.13 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.165 -0.471 . . . . 10.0 110.975 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 128' ' ' LYS . . . . . 0.512 ' HG2' ' OD1' ' C' ' 126' ' ' ASP . 15.3 ptpt -63.78 -46.0 87.2 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.708 0.633 . . . . 10.0 112.708 -178.437 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -65.76 -31.71 72.84 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 120.772 -0.371 . . . . 10.0 111.058 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -75.35 -42.3 54.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.305 0.574 . . . . 10.0 109.982 179.036 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -66.05 -36.07 82.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.78 -0.645 . . . . 10.0 110.647 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -60.06 -40.2 88.65 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.389 0.614 . . . . 10.0 109.984 178.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 20.1 tp -66.69 -37.83 85.53 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.655 -0.702 . . . . 10.0 110.335 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.25 -34.13 77.31 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.802 -0.636 . . . . 10.0 109.801 178.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 3.8 tmm_? -60.79 -44.18 97.14 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.517 -0.765 . . . . 10.0 110.441 179.028 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 12.1 m -64.74 -31.77 73.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.07 -0.514 . . . . 10.0 111.726 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 13.7 m-30 -83.8 -24.64 30.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.133 0.492 . . . . 10.0 110.509 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 85.45 21.91 52.71 Favored Glycine 0 N--CA 1.444 -0.77 0 N-CA-C 111.224 -0.75 . . . . 10.0 111.224 -178.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 45.3 pt -113.98 158.69 38.63 Favored Pre-proline 0 C--N 1.327 -0.4 0 N-CA-C 110.214 -0.291 . . . . 10.0 110.214 -179.325 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -84.86 152.45 11.32 Favored 'Trans proline' 0 N--CA 1.462 -0.367 0 C-N-CA 122.971 2.447 . . . . 10.0 112.22 -179.497 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -122.65 134.17 54.5 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.389 -0.597 . . . . 10.0 109.389 179.373 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 65.9 mt -133.93 131.88 56.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.743 0.306 . . . . 10.0 110.596 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 143' ' ' GLU . . . . . 0.541 ' HB3' ' SG ' ' C' ' 118' ' ' CYS . 55.0 mt-10 -86.77 128.68 35.03 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.758 -0.83 . . . . 10.0 108.758 178.632 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 144' ' ' THR . . . . . 0.454 HG22 ' HA3' ' C' ' 151' ' ' GLY . 61.1 p -131.25 174.09 10.4 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.744 0.783 . . . . 10.0 112.255 -178.363 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 11.2 t -162.64 114.76 1.61 Allowed 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 114.675 -1.148 . . . . 10.0 108.347 178.045 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 146' ' ' ALA . . . . . 0.436 ' N ' ' O6 ' ' C' ' 201' ' ' GSP . . . -66.56 -28.22 68.36 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.659 -179.32 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 147' ' ' LYS . . . . . 0.572 ' HB2' ' N1 ' ' C' ' 201' ' ' GSP . 67.9 tttt -59.31 -33.05 70.64 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.999 -0.546 . . . . 10.0 111.811 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -120.72 8.19 10.58 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 111.914 0.339 . . . . 10.0 111.914 -179.255 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 55.81 14.14 1.25 Allowed 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 113.576 0.954 . . . . 10.0 113.576 179.713 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -76.02 133.59 40.35 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.388 -0.369 . . . . 10.0 111.328 -179.28 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 151' ' ' GLY . . . . . 0.454 ' HA3' HG22 ' C' ' 144' ' ' THR . . . 81.01 -17.4 11.78 Favored Glycine 0 C--N 1.332 0.335 0 CA-C-N 115.987 -0.551 . . . . 10.0 113.635 179.206 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 152' ' ' VAL . . . . . 0.419 HG22 HD22 ' C' ' 19' ' ' LEU . 96.2 t -53.91 -50.25 54.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.904 0.383 . . . . 10.0 111.813 -178.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -59.37 -58.5 8.34 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.101 -0.499 . . . . 10.0 111.526 -179.04 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -57.76 -36.5 72.2 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.715 0.635 . . . . 10.0 112.715 -178.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -56.13 -50.65 70.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.641 0.258 . . . . 10.0 111.368 179.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -73.17 -35.26 66.39 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.379 -0.373 . . . . 10.0 111.13 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 4.3 m-30 -63.14 -49.12 75.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.404 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 40.3 m -63.09 -37.52 87.54 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.387 179.491 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 159' ' ' LEU . . . . . 0.467 HD22 HD13 ' C' ' 79' ' ' LEU . 45.0 tp -55.42 -47.88 75.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.528 179.597 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 160' ' ' VAL . . . . . 0.416 ' HA ' HD12 ' C' ' 163' ' ' ILE . 79.3 t -70.14 -41.26 78.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.577 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 161' ' ' ARG . . . . . 0.547 ' CG ' ' HD3' ' B' ' 135' ' ' ARG . 20.1 ttp-105 -59.86 -41.31 91.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.637 -0.71 . . . . 10.0 111.963 -179.537 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -62.19 -35.55 79.17 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.893 0.377 . . . . 10.0 111.249 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 163' ' ' ILE . . . . . 0.433 HG13 ' O ' ' C' ' 159' ' ' LEU . 54.8 mt -62.21 -43.56 98.06 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 N-CA-C 108.932 -0.766 . . . . 10.0 108.932 178.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -63.27 -40.89 98.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.236 -0.893 . . . . 10.0 109.875 179.215 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -61.89 -45.42 93.82 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.737 -0.665 . . . . 10.0 110.771 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 29.1 t-80 -61.05 -50.98 71.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.906 -0.588 . . . . 10.0 111.18 -179.351 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -62.06 -29.86 70.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.126 -0.488 . . . . 10.0 111.708 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -75.1 -43.6 51.95 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.878 -0.601 . . . . 10.0 109.915 179.093 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 7.8 tmtm? -67.11 -30.74 70.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.685 -0.689 . . . . 10.0 110.62 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 70.1 mmm -69.97 -21.75 63.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.864 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 9.9 m -73.31 -20.11 60.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.36 0.6 . . . . 10.0 110.593 179.552 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt -103.97 -48.63 3.84 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.633 -0.712 . . . . 10.0 109.396 179.433 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 173' ' ' ASP . . . . . . . . . . . . . 32.0 t70 69.39 -51.2 0.61 Allowed 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 115.382 -0.827 . . . . 10.0 112.786 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . 163.84 -9.94 0.08 OUTLIER Glycine 0 N--CA 1.449 -0.481 0 N-CA-C 111.673 -0.571 . . . . 10.0 111.673 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 175' ' ' LYS . . . . . . . . . . . . . 2.4 mptt -122.48 -175.32 3.11 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 109.887 -0.412 . . . . 10.0 109.887 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 176' ' ' LYS . . . . . . . . . . . . . 97.1 mttt 72.61 -51.85 0.7 Allowed 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 113.285 0.846 . . . . 10.0 113.285 178.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 177' ' ' LYS . . . . . 0.5 ' HB3' ' H ' ' C' ' 178' ' ' LYS . 28.7 mttm -102.6 -151.74 0.43 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.475 0.179 . . . . 10.0 110.702 179.58 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 178' ' ' LYS . . . . . 0.5 ' H ' ' HB3' ' C' ' 177' ' ' LYS . 23.9 ttmt 71.12 85.69 0.13 Allowed 'General case' 0 N--CA 1.463 0.213 0 O-C-N 123.94 0.775 . . . . 10.0 111.613 179.04 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 179' ' ' LYS . . . . . . . . . . . . . 19.2 mmtm -119.21 174.74 6.16 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.625 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 180' ' ' LYS . . . . . . . . . . . . . 9.2 mptt -83.96 163.13 20.17 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.515 -0.311 . . . . 10.0 110.766 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 5.2 t -98.46 -44.29 6.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.353 -0.385 . . . . 10.0 110.368 179.354 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 182' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -132.72 107.06 8.14 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.37 179.408 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 183' ' ' THR . . . . . 0.589 HG22 ' H41' ' C' ' 211' ' ' PCW . 0.6 OUTLIER -99.32 -162.65 0.97 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.987 -179.331 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 184' ' ' LYS . . . . . 0.622 ' H ' ' C7 ' ' C' ' 211' ' ' PCW . 37.1 mttp . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.487 -0.324 . . . . 10.0 110.205 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 401' ' ' PCW . . . . . 0.931 ' H62' ' C1 ' ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 402' ' ' PCW . . . . . 1.097 H421 H132 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 403' ' ' PCW . . . . . 1.171 ' C31' H362 ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 404' ' ' PCW . . . . . 1.167 ' C16' H421 ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 405' ' ' PCW . . . . . 1.125 H361 H441 ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 406' ' ' PCW . . . . . 1.025 H341 H321 ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 407' ' ' PCW . . . . . 1.059 H212 ' C17' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 408' ' ' PCW . . . . . 1.117 H242 H231 ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 409' ' ' PCW . . . . . 1.207 ' C19' H142 ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 410' ' ' PCW . . . . . 1.013 ' C37' H321 ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 411' ' ' PCW . . . . . 1.125 H441 H361 ' A' ' 405' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 412' ' ' PCW . . . . . 0.71 H271 HG21 ' A' ' 250' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 413' ' ' PCW . . . . . 1.059 ' H32' ' H42' ' A' ' 408' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 414' ' ' PCW . . . . . 1.017 H372 ' H69' ' A' ' 415' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 415' ' ' 17F . . . . . 1.017 ' H69' H372 ' A' ' 414' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 416' ' ' 17F . . . . . 0.728 ' H1 ' ' HE2' ' B' ' 182' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 417' ' ' PCW . . . . . 1.068 H411 H152 ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 418' ' ' PCW . . . . . 0.976 H431 H172 ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 419' ' ' PCW . . . . . 1.079 ' O1P' ' H41' ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 420' ' ' PCW . . . . . 1.009 H431 ' H19' ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 421' ' ' PCW . . . . . 1.053 ' O2P' ' H42' ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 422' ' ' 17F . . . . . 1.022 ' H6 ' ' C14' ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 601' ' ' PCW . . . . . 1.01 H421 H461 ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 602' ' ' PCW . . . . . 1.068 H483 ' H43' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 603' ' ' PCW . . . . . 1.062 ' H41' ' H2 ' ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 604' ' ' PCW . . . . . 1.028 H461 H282 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 605' ' ' PCW . . . . . 1.092 H182 H362 ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 606' ' ' PCW . . . . . 1.098 ' H61' H281 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 607' ' ' PCW . . . . . 0.961 H431 H471 ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 608' ' ' PCW . . . . . 0.983 H282 ' H65' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 609' ' ' PCW . . . . . 1.101 H483 H472 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 610' ' ' PCW . . . . . 0.9 ' H42' ' O8 ' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 611' ' ' PCW . . . . . 1.025 H212 H271 ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 612' ' ' PCW . . . . . 1.023 H162 ' H19' ' D' ' 620' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 613' ' ' PCW . . . . . 1.042 H212 H172 ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 614' ' ' PCW . . . . . 1.092 H362 H182 ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 615' ' ' PCW . . . . . 1.079 ' H41' ' O1P' ' A' ' 419' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 616' ' ' PCW . . . . . 0.936 H452 H241 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 617' ' ' PCW . . . . . 1.082 H371 H142 ' D' ' 619' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 618' ' ' PCW . . . . . 1.068 H152 H411 ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 619' ' ' PCW . . . . . 1.135 H381 H161 ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 620' ' ' PCW . . . . . 1.023 ' H19' H162 ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 621' ' ' PCW . . . . . 1.12 H372 H412 ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 622' ' ' PCW . . . . . 1.022 ' C14' ' H6 ' ' A' ' 422' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 623' ' ' PCW . . . . . 1.099 H322 ' C36' ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 624' ' ' PCW . . . . . 1.065 H471 ' H55' ' B' ' 209' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 625' ' ' PCW . . . . . 1.016 H261 H421 ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 626' ' ' PCW . . . . . 1.098 H281 ' H61' ' D' ' 606' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 627' ' ' PCW . . . . . 1.135 H161 H381 ' D' ' 619' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 628' ' ' 17F . . . . . 1.082 ' H57' H19A ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 629' ' ' 17F . . . . . 1.068 ' H43' H483 ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 630' ' ' 17F . . . . . 1.041 ' H57' H162 ' A' ' 421' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 631' ' ' 17F . . . . . 0.983 ' H5 ' ' H19' ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 632' ' ' 17F . . . . . 0.9 ' O9 ' H141 ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 201' ' ' GSP . . . . . 0.617 ' O3G' 'MG ' ' B' ' 202' ' ' ' MG' . . . . . . . . 0 O4'--C1' 1.438 1.976 2 O4'-C1'-N19 113.15 4.95 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 202' ' ' ' MG' . . . . . 0.617 'MG ' ' O3G' ' B' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 203' ' ' PCW . . . . . 1.025 H461 ' H73' ' C' ' 215' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 204' ' ' PCW . . . . . 1.104 H422 H431 ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 205' ' ' PCW . . . . . 1.025 H321 H341 ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 206' ' ' PCW . . . . . 0.964 H231 H171 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 207' ' ' PCW . . . . . 1.104 H431 H422 ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 208' ' ' PCW . . . . . 1.025 ' H31' H432 ' C' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 209' ' ' 17F . . . . . 1.065 ' H55' H471 ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 210' ' ' 17F . . . . . 0.991 ' H78' H441 ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 211' ' ' 17F . . . . . 0.942 ' H49' H242 ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 201' ' ' GSP . . . . . 0.762 H5'2 ' HD1' ' C' ' 32' ' ' TYR . . . . . . . . 0 O4'--C1' 1.436 1.837 2 O4'-C1'-N19 113.328 5.128 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 202' ' ' ' MG' . . . . . 0.619 'MG ' ' O3G' ' C' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 203' ' ' PCW . . . . . 1.088 H132 H171 ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 204' ' ' PCW . . . . . 0.994 H461 H421 ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 205' ' ' PCW . . . . . 1.039 ' H11' H152 ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 206' ' ' PCW . . . . . 1.013 ' H63' H321 ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 207' ' ' PCW . . . . . 1.021 H322 ' H63' ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 208' ' ' PCW . . . . . 1.101 H472 H483 ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 209' ' ' PCW . . . . . 1.041 H262 H222 ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 210' ' ' PCW . . . . . 1.097 H371 H121 ' C' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 211' ' ' PCW . . . . . 1.025 H432 ' H31' ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 212' ' ' PCW . . . . . 1.113 H241 ' H20' ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 213' ' ' 17F . . . . . 0.909 ' O8 ' ' H62' ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 214' ' ' 17F . . . . . 0.989 H11A H162 ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 215' ' ' 17F . . . . . 1.025 ' H73' H461 ' B' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 216' ' ' PCW . . . . . 1.015 H241 H282 ' C' ' 216' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 217' ' ' PCW . . . . . 1.096 ' C35' ' H20' ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 218' ' ' 17F . . . . . 1.078 ' H43' ' H69' ' C' ' 219' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 219' ' ' 17F . . . . . 1.078 ' H69' ' H43' ' C' ' 218' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 94.9 mt . . . . . 0 N--CA 1.455 -0.197 0 CA-C-O 120.837 0.351 . . . . 10.0 110.613 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -58.56 -50.39 73.95 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.808 -0.633 . . . . 10.0 111.378 -179.133 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 58.7 mt -70.64 -28.74 65.04 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.303 -0.408 . . . . 10.0 111.108 -179.351 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 89.5 mt -71.64 -48.81 45.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.15 -0.477 . . . . 10.0 110.675 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -61.62 -41.47 97.52 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.638 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 206' ' ' ASN . . . . . 0.463 ' O ' HG23 ' A' ' 210' ' ' VAL . 8.7 m120 -69.2 -35.02 75.79 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 116.115 -0.493 . . . . 10.0 111.228 179.415 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 9.3 t90 -63.43 -32.33 73.74 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.129 0.49 . . . . 10.0 110.517 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -63.61 -39.38 94.23 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.743 -0.662 . . . . 10.0 109.892 178.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.04 -31.49 72.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.309 0.576 . . . . 10.0 110.482 179.508 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 210' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 206' ' ' ASN . 33.5 t -74.59 -47.21 40.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.789 -0.641 . . . . 10.0 109.758 178.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 46.7 m -60.44 -43.45 96.82 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.69 -0.687 . . . . 10.0 111.728 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 4.0 p -61.8 -37.35 84.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.965 0.412 . . . . 10.0 110.5 179.268 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 53.1 m -65.98 -43.66 87.2 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.489 -0.56 . . . . 10.0 109.489 178.423 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -60.8 -44.07 97.34 Favored 'General case' 0 C--N 1.334 -0.095 0 CA-C-N 115.892 -0.595 . . . . 10.0 110.961 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 46.8 m -63.03 -46.31 88.17 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.318 -0.401 . . . . 10.0 111.072 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 22.7 mttt -65.32 -32.07 73.53 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.002 0.429 . . . . 10.0 110.374 178.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 217' ' ' LEU . . . . . 0.53 ' O ' ' HG ' ' A' ' 221' ' ' LEU . 19.3 mt -68.86 -45.44 71.04 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 108.975 -0.75 . . . . 10.0 108.975 177.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 218' ' ' ARG . . . . . 0.585 ' HA ' HD12 ' A' ' 221' ' ' LEU . 43.4 mtt180 -62.79 -37.21 85.77 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.737 179.347 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -64.67 -27.34 68.86 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.938 0.399 . . . . 10.0 110.614 178.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -90.08 -28.65 18.87 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.335 179.013 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 221' ' ' LEU . . . . . 0.585 HD12 ' HA ' ' A' ' 218' ' ' ARG . 66.0 mt -56.75 -37.36 70.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.725 -0.67 . . . . 10.0 111.219 179.597 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 222' ' ' GLY . . . . . 0.444 ' O ' ' HG3' ' A' ' 226' ' ' GLN . . . -56.12 -66.54 2.77 Favored Glycine 0 C--N 1.332 0.308 0 N-CA-C 111.51 -0.636 . . . . 10.0 111.51 178.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_exo -53.72 -42.99 61.77 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.466 2.111 . . . . 10.0 111.439 178.2 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 40.3 t -57.68 -52.4 58.04 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.177 0 CA-C-N 116.566 -0.288 . . . . 10.0 111.771 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 225' ' ' THR . . . . . 0.454 ' O ' ' HB2' ' A' ' 229' ' ' TRP . 15.5 p -61.38 -44.14 97.67 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 121.21 -0.196 . . . . 10.0 111.246 -179.654 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 226' ' ' GLN . . . . . 0.444 ' HG3' ' O ' ' A' ' 222' ' ' GLY . 81.8 mt-30 -62.04 -47.91 82.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.465 -0.334 . . . . 10.0 111.637 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -70.11 -39.1 75.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.539 -0.3 . . . . 10.0 110.918 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 21.3 t80 -65.63 -42.71 91.19 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.991 -0.374 . . . . 10.0 109.991 179.259 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 229' ' ' TRP . . . . . 0.454 ' HB2' ' O ' ' A' ' 225' ' ' THR . 0.0 OUTLIER -64.29 -36.19 83.3 Favored 'General case' 0 CA--C 1.521 -0.153 0 N-CA-C 109.677 -0.49 . . . . 10.0 109.677 178.741 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.86 -43.7 95.33 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.133 -0.692 . . . . 10.0 109.133 178.246 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 231' ' ' ASN . . . . . 0.942 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 55.6 m-20 -68.1 -31.47 71.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.468 -0.787 . . . . 10.0 109.84 178.675 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 57.9 mt -70.92 -42.36 69.98 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 108.992 -0.744 . . . . 10.0 108.992 178.388 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -61.42 -34.37 75.27 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.411 178.447 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 234' ' ' LYS . . . . . 0.942 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 48.5 mttt -63.77 -47.48 80.8 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 108.873 -0.788 . . . . 10.0 108.873 177.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.72 -43.27 99.23 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.403 -0.817 . . . . 10.0 109.913 179.193 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 3.9 m -68.46 -34.62 76.26 Favored 'General case' 0 C--O 1.224 -0.275 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.048 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -61.56 -46.5 89.64 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 108.615 -0.883 . . . . 10.0 108.615 178.51 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -61.83 -42.9 99.8 Favored Glycine 0 N--CA 1.444 -0.768 0 N-CA-C 110.175 -1.17 . . . . 10.0 110.175 178.151 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 239' ' ' LEU . . . . . 0.493 ' HA ' ' HB2' ' A' ' 242' ' ' GLU . 43.1 mt -66.04 -29.55 69.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.769 -0.215 . . . . 10.0 111.172 178.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 57.6 mtt180 -70.14 -40.34 74.85 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.17 -0.678 . . . . 10.0 109.17 178.545 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -71.46 -35.03 70.74 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.577 -0.897 . . . . 10.0 108.577 177.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 242' ' ' GLU . . . . . 0.493 ' HB2' ' HA ' ' A' ' 239' ' ' LEU . 6.6 mt-10 -67.54 -38.19 83.83 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-N 115.196 -0.911 . . . . 10.0 109.506 178.138 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 243' ' ' MET . . . . . 0.632 ' HG3' HD12 ' A' ' 247' ' ' LEU . 43.1 ttm -61.01 -33.72 73.7 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.353 0.597 . . . . 10.0 109.821 179.304 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 4.5 m -76.83 6.56 5.92 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.76 -0.655 . . . . 10.0 110.922 179.016 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 38.5 mttm -130.78 -59.04 1.02 Allowed 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.096 179.113 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 246' ' ' ASP . . . . . 0.55 ' HB2' ' HD3' ' D' ' 528' ' ' ARG . 16.0 t70 -56.06 -54.19 47.99 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.927 -0.579 . . . . 10.0 111.052 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 247' ' ' LEU . . . . . 0.632 HD12 ' HG3' ' A' ' 243' ' ' MET . 6.7 mt -75.17 -35.5 61.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.149 -0.478 . . . . 10.0 111.415 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -64.65 -48.02 76.35 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.512 -0.313 . . . . 10.0 111.262 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -66.29 -40.09 89.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.101 -0.499 . . . . 10.0 110.038 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 250' ' ' VAL . . . . . 0.782 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 1.9 p -66.19 -35.48 75.1 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.447 0 C-N-CA 120.831 -0.347 . . . . 10.0 110.981 179.637 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -74.55 -36.13 63.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.13 0.49 . . . . 10.0 110.976 179.201 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 252' ' ' ALA . . . . . 0.412 ' HA ' ' NE2' ' A' ' 255' ' ' GLN . . . -74.98 -42.73 57.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.694 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 70.0 mttt -79.54 -23.25 42.98 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.363 0.505 . . . . 10.0 112.363 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 254' ' ' VAL . . . . . 0.782 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.8 OUTLIER -60.08 -27.19 38.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.957 -0.297 . . . . 10.0 110.931 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 255' ' ' GLN . . . . . 0.582 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 24.8 mt-30 -63.84 -65.08 2.25 Favored Pre-proline 0 N--CA 1.452 -0.35 0 CA-C-N 116.11 -0.496 . . . . 10.0 111.301 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 256' ' ' PRO . . . . . 0.582 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 32.6 Cg_endo -65.81 -30.06 49.93 Favored 'Trans proline' 0 C--N 1.358 1.042 0 C-N-CA 121.809 1.672 . . . . 10.0 112.103 179.48 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 6.2 m-30 -67.24 -53.77 27.02 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.756 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 19.4 mt -70.07 -33.35 71.81 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 116.426 -0.352 . . . . 10.0 110.51 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 259' ' ' ASP . . . . . 0.559 ' O ' ' HB2' ' A' ' 263' ' ' LYS . 15.6 t70 -60.79 -40.21 91.77 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.655 -0.498 . . . . 10.0 109.655 178.787 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -70.45 -43.92 68.89 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.448 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -63.56 -48.85 75.77 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.244 179.354 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -63.43 -37.82 88.75 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.764 -0.653 . . . . 10.0 110.27 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 263' ' ' LYS . . . . . 0.559 ' HB2' ' O ' ' A' ' 259' ' ' ASP . 26.5 ttmt -61.16 -46.61 89.83 Favored 'General case' 0 CA--C 1.519 -0.227 0 N-CA-C 109.585 -0.524 . . . . 10.0 109.585 178.822 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 264' ' ' LYS . . . . . 0.847 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 54.3 mttt -64.56 -41.23 96.45 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.816 -0.629 . . . . 10.0 109.808 178.792 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 16.8 m95 -62.9 -35.61 80.63 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.06 178.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 266' ' ' GLN . . . . . 0.427 ' O ' ' HG2' ' A' ' 270' ' ' GLU . 45.4 mt-30 -61.79 -47.45 85.11 Favored 'General case' 0 C--O 1.233 0.237 0 N-CA-C 108.822 -0.807 . . . . 10.0 108.822 178.159 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -63.06 -43.49 98.48 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 115.831 -0.622 . . . . 10.0 109.474 178.594 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 268' ' ' GLU . . . . . 0.459 ' HG3' ' O ' ' A' ' 264' ' ' LYS . 26.7 mt-10 -58.36 -43.6 88.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.751 -0.659 . . . . 10.0 110.406 179.057 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 56.4 mmm -63.66 -43.02 97.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.785 -0.643 . . . . 10.0 109.691 178.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 270' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 266' ' ' GLN . 6.3 mm-40 -63.85 -47.02 82.4 Favored 'General case' 0 C--O 1.224 -0.256 0 CA-C-N 116.084 -0.507 . . . . 10.0 109.921 179.119 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 72.2 mt -59.43 -42.9 92.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.395 179.246 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 272' ' ' TYR . . . . . 0.426 ' HD1' ' HA ' ' A' ' 272' ' ' TYR . 0.7 OUTLIER -67.84 -36.05 79.66 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.848 179.457 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 273' ' ' ARG . . . . . 0.457 ' HA ' HG12 ' A' ' 276' ' ' VAL . 69.9 mtt180 -72.55 -35.44 68.03 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.921 0.391 . . . . 10.0 110.712 179.265 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -75.01 -20.16 59.75 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.248 179.075 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 275' ' ' LYS . . . . . 0.642 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 8.2 mptt -95.57 -41.43 8.94 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.735 -0.666 . . . . 10.0 111.347 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 276' ' ' VAL . . . . . 0.457 HG12 ' HA ' ' A' ' 273' ' ' ARG . 7.8 p -55.96 -35.41 40.71 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.262 0 N-CA-C 112.86 0.689 . . . . 10.0 112.86 -178.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 277' ' ' GLU . . . . . 0.412 ' HB2' ' HD3' ' A' ' 278' ' ' PRO . 7.6 mt-10 -61.3 -63.01 4.82 Favored Pre-proline 0 CA--C 1.538 0.494 0 N-CA-C 112.379 0.511 . . . . 10.0 112.379 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 278' ' ' PRO . . . . . 0.465 ' O ' ' HG3' ' A' ' 282' ' ' GLU . 27.5 Cg_endo -64.51 -37.21 39.41 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 121.731 1.621 . . . . 10.0 112.146 179.051 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 279' ' ' LEU . . . . . 0.642 ' HG ' ' O ' ' A' ' 275' ' ' LYS . 19.0 mt -64.26 -46.58 83.13 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.864 -0.153 . . . . 10.0 111.242 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 31.7 ttm180 -64.87 -32.78 74.64 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.629 -0.508 . . . . 10.0 109.629 178.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -64.54 -45.78 85.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.97 -0.559 . . . . 10.0 109.543 178.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 282' ' ' GLU . . . . . 0.465 ' HG3' ' O ' ' A' ' 278' ' ' PRO . 90.1 mt-10 -65.11 -40.98 95.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.558 -0.746 . . . . 10.0 109.615 178.659 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 84.7 mt -67.27 -32.84 74.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.98 -0.554 . . . . 10.0 110.61 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 -72.48 -50.2 27.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 10.0 109.887 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -63.63 -43.32 97.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 10.0 109.695 178.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -61.12 -41.72 99.56 Favored Glycine 0 N--CA 1.445 -0.766 0 N-CA-C 110.522 -1.031 . . . . 10.0 110.522 178.448 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -63.9 -45.77 87.86 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 109.27 -0.641 . . . . 10.0 109.27 178.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 288' ' ' ARG . . . . . 0.724 ' O ' ' HB2' ' A' ' 292' ' ' HIS . 62.5 mtt180 -55.92 -47.95 76.57 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.648 179.413 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 7.5 tm0? -66.26 -53.04 41.62 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.897 0.332 . . . . 10.0 111.897 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 290' ' ' LYS . . . . . 0.45 ' O ' ' HG ' ' A' ' 294' ' ' LEU . 70.5 mttt -60.89 -47.0 88.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.389 -0.369 . . . . 10.0 111.976 -179.13 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 291' ' ' LEU . . . . . 0.427 HD23 HD12 ' A' ' 294' ' ' LEU . 97.0 mt -67.05 -31.46 71.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.503 -0.317 . . . . 10.0 110.418 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 292' ' ' HIS . . . . . 0.724 ' HB2' ' O ' ' A' ' 288' ' ' ARG . 1.0 OUTLIER -64.26 -45.05 89.78 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 109.436 -0.579 . . . . 10.0 109.436 179.07 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.99 -36.55 81.82 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.691 -0.686 . . . . 10.0 109.632 178.802 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 294' ' ' LEU . . . . . 0.455 ' O ' ' HG ' ' A' ' 298' ' ' LEU . 77.1 mt -67.54 -41.91 83.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.911 -0.586 . . . . 10.0 109.635 178.357 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -64.68 -36.08 83.13 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.593 -0.521 . . . . 10.0 109.593 178.603 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -67.2 -10.79 54.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.349 -0.841 . . . . 10.0 110.406 179.025 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 297' ' ' LYS . . . . . 0.401 ' HB3' HD12 ' A' ' 301' ' ' LEU . 22.9 mmtp -109.06 -32.46 7.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.179 178.411 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 298' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 294' ' ' LEU . 66.0 mt -61.08 -30.39 70.31 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.118 -0.492 . . . . 10.0 111.527 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 299' ' ' SER . . . . . 0.448 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 12.9 m -75.66 -63.01 0.7 Allowed Pre-proline 0 C--N 1.324 -0.511 0 CA-C-O 119.304 -0.379 . . . . 10.0 111.877 179.433 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 300' ' ' PRO . . . . . 0.448 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 32.2 Cg_endo -63.42 -53.11 1.56 Allowed 'Trans proline' 0 C--N 1.358 1.046 0 C-N-CA 121.884 1.723 . . . . 10.0 112.401 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 301' ' ' LEU . . . . . 0.623 ' HB3' ' HE3' ' D' ' 473' ' ' LYS . 85.0 mt -65.93 -28.12 68.69 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-O 120.866 0.365 . . . . 10.0 110.061 179.719 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 302' ' ' GLY . . . . . 0.49 ' O ' ' HG3' ' A' ' 306' ' ' ARG . . . -68.84 -55.58 10.88 Favored Glycine 0 N--CA 1.448 -0.516 0 N-CA-C 110.989 -0.844 . . . . 10.0 110.989 178.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -60.07 -40.17 88.57 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.417 -0.586 . . . . 10.0 109.417 178.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -59.18 -47.39 85.5 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.347 -0.842 . . . . 10.0 109.744 178.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 12.8 tpt -63.88 -42.65 97.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.282 178.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 306' ' ' ARG . . . . . 0.49 ' HG3' ' O ' ' A' ' 302' ' ' GLY . 77.5 mtt180 -60.04 -52.3 65.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.885 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 307' ' ' ASP . . . . . 0.768 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 5.4 t70 -63.33 -38.91 92.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.421 -0.354 . . . . 10.0 111.021 -179.691 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 308' ' ' ARG . . . . . 0.521 ' HG3' HD21 ' D' ' 469' ' ' LEU . 21.6 mmt180 -68.15 -36.82 80.27 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.458 -0.337 . . . . 10.0 110.109 178.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -64.97 -38.06 89.72 Favored 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 108.905 -0.776 . . . . 10.0 108.905 178.157 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 310' ' ' ARG . . . . . 0.768 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 90.6 mtt180 -59.32 -43.79 92.65 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.481 -0.781 . . . . 10.0 109.261 178.099 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -68.04 -40.6 82.84 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.96 -0.564 . . . . 10.0 109.912 179.043 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -56.61 -52.48 64.69 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.673 -0.694 . . . . 10.0 110.089 179.125 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 24.6 t -74.05 -29.74 26.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.749 -0.66 . . . . 10.0 111.423 -179.349 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -62.52 -47.81 82.27 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.906 0.384 . . . . 10.0 110.322 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -64.88 -37.64 88.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.789 -0.641 . . . . 10.0 109.688 178.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 316' ' ' LEU . . . . . 0.408 ' O ' ' HG ' ' A' ' 320' ' ' LEU . 52.5 mt -66.98 -42.76 84.55 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-N 115.68 -0.691 . . . . 10.0 110.421 179.062 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 317' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' ' 317' ' ' ARG . 23.2 ttm105 -64.1 -47.38 80.28 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.948 -0.39 . . . . 10.0 109.948 179.255 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 26.5 m -62.52 -29.17 70.36 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.25 179.426 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -82.85 -39.97 20.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.506 179.314 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 320' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 316' ' ' LEU . 32.4 mt -66.12 -31.29 72.07 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.322 0.49 . . . . 10.0 112.322 -179.564 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 321' ' ' ALA . . . . . 0.43 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -51.8 -60.99 4.87 Favored Pre-proline 0 CA--C 1.54 0.591 0 N-CA-C 112.169 0.433 . . . . 10.0 112.169 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 322' ' ' PRO . . . . . 0.479 ' O ' ' HG3' ' A' ' 326' ' ' GLU . 54.1 Cg_endo -71.74 -31.57 12.91 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 121.748 1.632 . . . . 10.0 111.254 178.797 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 10.1 m-30 -61.68 -50.13 73.73 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-N 116.691 -0.231 . . . . 10.0 110.742 179.59 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 27.3 p -64.59 -37.52 87.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.899 0.381 . . . . 10.0 110.337 179.442 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.41 -43.95 97.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 10.0 110.36 179.029 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 326' ' ' GLU . . . . . 0.479 ' HG3' ' O ' ' A' ' 322' ' ' PRO . 31.6 mt-10 -75.1 -27.12 59.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.27 179.091 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 23.5 mt -66.11 -34.18 77.48 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 108.369 -0.974 . . . . 10.0 108.369 177.457 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 62.9 mtt180 -68.74 -35.68 77.42 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 108.646 -0.872 . . . . 10.0 108.646 177.572 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -65.26 -42.05 93.63 Favored 'General case' 0 CA--C 1.521 -0.168 0 N-CA-C 108.574 -0.899 . . . . 10.0 108.574 177.491 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 330' ' ' ARG . . . . . 0.488 ' O ' ' HG2' ' A' ' 334' ' ' ARG . 79.2 mtt180 -60.39 -52.15 66.45 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.117 -0.947 . . . . 10.0 108.516 177.654 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 331' ' ' LEU . . . . . 0.575 ' O ' ' HG ' ' A' ' 335' ' ' LEU . 67.6 mt -55.57 -43.8 76.27 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 115.646 -0.707 . . . . 10.0 110.304 179.038 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -59.21 -50.72 72.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.018 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -59.8 -41.94 92.32 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.332 -0.395 . . . . 10.0 110.482 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 334' ' ' ARG . . . . . 0.488 ' HG2' ' O ' ' A' ' 330' ' ' ARG . 26.3 mmt180 -63.51 -50.12 70.85 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.777 -0.647 . . . . 10.0 109.748 179.23 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 335' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' A' ' 331' ' ' LEU . 73.2 mt -61.93 -39.29 91.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 10.0 111.394 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -62.23 -50.44 71.76 Favored 'General case' 0 CA--C 1.519 -0.223 0 N-CA-C 109.769 -0.456 . . . . 10.0 109.769 179.049 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -62.49 -42.78 99.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.035 -0.53 . . . . 10.0 109.922 179.243 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 338' ' ' LEU . . . . . 0.44 ' O ' ' HA3' ' A' ' 342' ' ' GLY . 84.6 mt -63.18 -24.37 67.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.71 -0.677 . . . . 10.0 111.928 179.722 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -88.03 -47.42 8.54 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.48 0.181 . . . . 10.0 110.829 179.329 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -63.28 -52.92 60.06 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.228 0.537 . . . . 10.0 109.99 178.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -71.92 -34.33 68.99 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.576 -0.738 . . . . 10.0 109.957 179.13 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 342' ' ' GLY . . . . . 0.44 ' HA3' ' O ' ' A' ' 338' ' ' LEU . . . -64.31 -42.5 97.75 Favored Glycine 0 N--CA 1.452 -0.291 0 CA-C-N 115.749 -0.659 . . . . 10.0 111.883 179.638 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -61.66 -40.98 99.5 Favored Glycine 0 N--CA 1.448 -0.56 0 N-CA-C 110.657 -0.977 . . . . 10.0 110.657 178.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -63.33 -42.83 99.0 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.426 -0.583 . . . . 10.0 109.426 178.548 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 59.0 mtm180 -64.74 -39.72 94.1 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.259 179.059 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 60.1 mt -62.41 -47.95 81.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.07 -0.513 . . . . 10.0 110.717 179.328 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.61 -45.86 90.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.032 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -63.32 -47.03 83.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.694 -0.684 . . . . 10.0 110.683 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -62.17 -34.96 77.4 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.007 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -67.02 -46.22 75.14 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.007 -0.542 . . . . 10.0 109.614 178.551 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -63.22 -44.48 95.14 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 115.801 -0.636 . . . . 10.0 110.295 179.317 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 12.9 mttm -63.28 -37.43 87.21 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.609 179.322 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -61.41 -44.71 96.66 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.669 -0.493 . . . . 10.0 109.669 179.032 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 1.5 m -65.05 -34.96 79.68 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.034 -0.53 . . . . 10.0 109.95 178.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -62.69 -45.65 91.81 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 109.283 -0.636 . . . . 10.0 109.283 178.449 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 356' ' ' HIS . . . . . 0.475 ' O ' ' HB2' ' A' ' 360' ' ' LEU . 61.9 m-70 -67.99 -35.84 79.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.457 -0.792 . . . . 10.0 110.031 179.451 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 59.3 mt -64.79 -41.92 95.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 10.0 111.074 179.375 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 46.6 m -61.38 -45.68 93.37 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.842 0.353 . . . . 10.0 110.806 179.43 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 1.1 p -73.53 -27.61 61.44 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-O 121.073 0.463 . . . . 10.0 109.877 179.152 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 360' ' ' LEU . . . . . 0.746 HD12 ' HD2' ' A' ' 363' ' ' LYS . 13.9 tp -68.58 -30.64 69.44 Favored 'General case' 0 C--O 1.224 -0.278 0 N-CA-C 109.098 -0.705 . . . . 10.0 109.098 178.352 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 51.0 m -65.99 -29.53 69.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.58 -0.736 . . . . 10.0 109.548 178.441 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -70.18 -20.87 63.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.551 0.691 . . . . 10.0 109.213 178.155 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 363' ' ' LYS . . . . . 0.746 ' HD2' HD12 ' A' ' 360' ' ' LEU . 90.1 mttt -91.22 -34.62 14.91 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.355 -0.839 . . . . 10.0 109.254 178.748 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 364' ' ' ALA . . . . . 0.5 ' HA ' HD12 ' A' ' 368' ' ' LEU . . . -74.49 -38.89 62.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.609 -0.723 . . . . 10.0 112.519 -179.206 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 365' ' ' LYS . . . . . 0.999 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 91.6 mttt -94.71 -76.49 0.03 OUTLIER Pre-proline 0 CA--C 1.536 0.429 0 N-CA-C 112.895 0.702 . . . . 10.0 112.895 -179.54 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 366' ' ' PRO . . . . . 0.999 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 31.3 Cg_exo -59.9 -53.15 3.43 Favored 'Trans proline' 0 C--N 1.359 1.104 0 C-N-CA 122.572 2.182 . . . . 10.0 113.72 -178.576 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 367' ' ' ALA . . . . . 0.721 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -59.37 -56.77 17.8 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.245 0.461 . . . . 10.0 112.245 -178.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 368' ' ' LEU . . . . . 0.5 HD12 ' HA ' ' A' ' 364' ' ' ALA . 13.0 mt -58.27 -40.07 80.88 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 112.147 0.425 . . . . 10.0 112.147 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.81 -51.11 71.14 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 123.139 0.274 . . . . 10.0 110.294 179.41 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -64.78 -31.64 72.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.334 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 371' ' ' LEU . . . . . 0.507 ' O ' ' HG ' ' A' ' 375' ' ' LEU . 42.1 mt -65.48 -44.67 86.38 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.968 -0.753 . . . . 10.0 108.968 178.262 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 372' ' ' ARG . . . . . 0.427 ' HG3' ' O ' ' A' ' 368' ' ' LEU . 58.7 mtt180 -63.59 -43.62 96.4 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.96 -0.564 . . . . 10.0 109.697 178.763 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -66.25 -26.46 67.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.387 -0.824 . . . . 10.0 111.084 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -86.9 -33.74 12.07 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 121.132 -0.556 . . . . 10.0 111.94 179.315 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 375' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 371' ' ' LEU . 73.5 mt -71.85 -37.18 70.28 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.684 0.253 . . . . 10.0 111.684 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 25.1 mt -50.47 -58.41 9.99 Favored Pre-proline 0 CA--C 1.537 0.476 0 N-CA-C 113.322 0.86 . . . . 10.0 113.322 -179.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -62.88 -26.65 74.58 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 122.068 1.845 . . . . 10.0 111.548 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 41.1 t -69.83 -46.78 73.09 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 N-CA-C 108.579 -0.897 . . . . 10.0 108.579 178.565 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 379' ' ' LEU . . . . . 0.507 ' O ' ' HG3' ' A' ' 383' ' ' LYS . 52.0 mt -63.16 -34.9 78.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.41 -0.814 . . . . 10.0 109.277 178.591 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -60.32 -48.4 81.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.677 -0.692 . . . . 10.0 109.894 178.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 1.2 p -66.55 -35.04 79.26 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 120.983 0.42 . . . . 10.0 109.932 179.097 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -64.82 -33.28 75.62 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-N 115.759 -0.655 . . . . 10.0 110.765 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 383' ' ' LYS . . . . . 0.507 ' HG3' ' O ' ' A' ' 379' ' ' LEU . 97.5 mttt -59.02 -43.48 91.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.086 0.47 . . . . 10.0 109.789 179.192 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 21.2 t -63.85 -41.57 92.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.757 -0.656 . . . . 10.0 109.538 179.342 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 4.2 m -65.1 -43.89 90.58 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.815 -0.629 . . . . 10.0 110.937 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 386' ' ' PHE . . . . . 0.676 ' HZ ' ' H76' ' A' ' 415' ' ' 17F . 6.2 m-85 -64.5 -49.7 70.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 10.0 111.095 179.639 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 387' ' ' LEU . . . . . 0.519 ' O ' ' HG3' ' A' ' 391' ' ' GLU . 95.3 mt -61.31 -44.68 96.8 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.056 -0.52 . . . . 10.0 112.365 -179.337 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 388' ' ' SER . . . . . 0.589 ' HB2' ' HE2' ' D' ' 594' ' ' LYS . 11.7 p -61.86 -40.79 96.6 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.61 -0.268 . . . . 10.0 111.058 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -60.51 -43.01 97.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.13 179.225 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 81.9 mt -59.31 -41.34 88.83 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.464 -0.789 . . . . 10.0 109.776 179.029 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 391' ' ' GLU . . . . . 0.519 ' HG3' ' O ' ' A' ' 387' ' ' LEU . 35.5 mt-10 -66.06 -45.63 80.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.559 -0.746 . . . . 10.0 110.128 179.037 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -60.16 -47.57 85.38 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.09 -0.504 . . . . 10.0 112.042 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -59.61 -43.54 93.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.693 0.282 . . . . 10.0 111.315 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 7.2 m -71.01 -31.98 68.63 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.344 0.498 . . . . 10.0 112.344 -179.276 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -79.12 -36.55 40.44 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.137 0.421 . . . . 10.0 112.137 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 396' ' ' LYS . . . . . 0.712 ' HE2' ' HA ' ' D' ' 587' ' ' ALA . 14.7 mptt -91.92 -39.13 11.87 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 114.318 1.229 . . . . 10.0 114.318 -177.75 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 95.9 mt -105.16 16.35 25.93 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.86 0.689 . . . . 10.0 112.86 -177.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 45.4 t30 . . . . . 0 C--N 1.324 -0.529 0 CA-C-N 116.786 -0.188 . . . . 10.0 110.88 179.353 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 2.6 mm? . . . . . 0 CA--C 1.517 -0.293 0 CA-C-O 121.293 0.568 . . . . 10.0 109.872 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -115.76 28.05 8.9 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.244 -0.889 . . . . 10.0 109.76 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 92.7 mt -63.89 -32.58 74.15 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.792 -0.64 . . . . 10.0 111.175 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 23.0 mt -70.37 -34.45 72.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.944 0.402 . . . . 10.0 109.938 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -63.5 -53.86 45.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.63 -0.713 . . . . 10.0 110.737 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -66.05 -37.92 87.05 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.881 -0.599 . . . . 10.0 111.649 -179.54 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 17.2 t90 -62.59 -41.77 99.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.388 -0.369 . . . . 10.0 110.512 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -60.6 -31.84 70.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.288 -0.415 . . . . 10.0 110.577 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 2.0 m -65.48 -46.09 81.12 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.238 -0.652 . . . . 10.0 109.238 178.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 17.4 t -63.76 -37.58 80.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.852 -0.613 . . . . 10.0 109.629 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 27.3 m -62.37 -42.9 99.78 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.92 -0.582 . . . . 10.0 109.431 178.653 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 18.9 m -62.63 -41.47 99.03 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.833 -0.621 . . . . 10.0 109.703 178.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 411' ' ' THR . . . . . 0.567 ' O ' ' HG ' ' D' ' 415' ' ' LEU . 16.8 m -61.31 -45.02 96.18 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 115.671 -0.695 . . . . 10.0 110.249 178.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -58.74 -45.03 90.61 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.196 -0.456 . . . . 10.0 109.899 178.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 413' ' ' SER . . . . . 0.509 ' O ' ' HG3' ' D' ' 417' ' ' GLU . 4.6 m -60.67 -42.8 97.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.737 -0.665 . . . . 10.0 109.832 178.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 34.5 mmtt -62.42 -34.72 77.31 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.054 178.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 415' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' D' ' 411' ' ' THR . 92.2 mt -66.48 -40.12 89.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.008 -0.542 . . . . 10.0 109.583 179.152 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 416' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' D' ' 416' ' ' ARG . 28.7 mtt180 -67.36 -34.93 78.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.62 179.492 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 417' ' ' GLU . . . . . 0.509 ' HG3' ' O ' ' D' ' 413' ' ' SER . 42.8 mt-10 -65.74 -25.19 67.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 10.0 109.801 178.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -86.32 -53.53 4.96 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 108.722 -0.844 . . . . 10.0 108.722 178.16 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 72.1 mt -47.81 -38.42 15.84 Favored 'General case' 0 CA--C 1.522 -0.13 0 CA-C-N 115.352 -0.84 . . . . 10.0 112.578 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 420' ' ' GLY . . . . . 0.489 ' O ' ' HG3' ' D' ' 424' ' ' GLN . . . -53.1 -77.5 0.14 Allowed Glycine 0 CA--C 1.522 0.479 0 O-C-N 123.553 0.533 . . . . 10.0 112.339 179.63 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 421' ' ' PRO . . . . . 0.542 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 34.2 Cg_exo -61.62 -36.35 76.02 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.737 2.291 . . . . 10.0 112.056 179.692 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 4.9 t -56.14 -49.54 75.45 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.36 0 CA-C-N 116.552 -0.295 . . . . 10.0 111.559 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 22.9 p -65.48 -32.87 74.71 Favored 'General case' 0 C--O 1.226 -0.15 0 C-N-CA 120.893 -0.323 . . . . 10.0 111.652 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 424' ' ' GLN . . . . . 0.489 ' HG3' ' O ' ' D' ' 420' ' ' GLY . 68.0 mt-30 -64.59 -53.81 41.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.877 0.37 . . . . 10.0 110.132 179.327 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 425' ' ' GLU . . . . . 0.542 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 10.2 pt-20 -70.2 -30.09 67.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.31 -0.405 . . . . 10.0 110.614 179.502 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 426' ' ' PHE . . . . . 0.495 ' O ' ' HG ' ' D' ' 430' ' ' LEU . 17.6 t80 -67.87 -41.18 83.24 Favored 'General case' 0 C--O 1.221 -0.412 0 N-CA-C 109.191 -0.67 . . . . 10.0 109.191 178.347 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 2.6 m0 -64.57 -42.96 95.32 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.086 -0.709 . . . . 10.0 109.086 178.622 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 428' ' ' ASP . . . . . 0.465 ' O ' ' HG3' ' D' ' 432' ' ' LYS . 29.0 t70 -64.71 -36.15 83.36 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.062 -0.718 . . . . 10.0 109.062 178.291 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -65.98 -42.53 89.71 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.642 -0.874 . . . . 10.0 108.642 177.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 430' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' D' ' 426' ' ' PHE . 85.6 mt -60.18 -37.96 81.78 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-N 115.486 -0.779 . . . . 10.0 108.951 178.143 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -62.46 -40.62 97.22 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 115.69 -0.687 . . . . 10.0 109.42 178.146 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 432' ' ' LYS . . . . . 0.465 ' HG3' ' O ' ' D' ' 428' ' ' ASP . 54.7 mttp -65.94 -38.38 88.49 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.695 -0.854 . . . . 10.0 108.695 178.376 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -67.51 -52.76 35.21 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.702 -0.681 . . . . 10.0 111.209 179.223 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 7.2 p -59.94 -49.92 75.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.593 0.235 . . . . 10.0 111.068 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -64.94 -37.52 87.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.781 0.324 . . . . 10.0 110.975 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -66.61 -47.14 70.65 Favored Glycine 0 C--O 1.227 -0.303 0 N-CA-C 110.889 -0.884 . . . . 10.0 110.889 178.479 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 90.8 mt -64.65 -35.47 81.14 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 109.95 -0.389 . . . . 10.0 109.95 179.164 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 438' ' ' ARG . . . . . 0.567 ' HA ' ' HB2' ' D' ' 441' ' ' MET . 78.3 mtt180 -64.6 -30.74 71.77 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.193 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -64.41 -41.23 96.74 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.601 -0.518 . . . . 10.0 109.601 179.031 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -77.74 -37.13 49.95 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.119 -0.697 . . . . 10.0 109.119 178.498 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 441' ' ' MET . . . . . 0.567 ' HB2' ' HA ' ' D' ' 438' ' ' ARG . 57.9 mmm -61.5 -46.02 91.77 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 115.511 -0.768 . . . . 10.0 112.333 -179.506 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 2.3 p -57.98 -46.62 84.87 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-O 121.072 0.463 . . . . 10.0 110.307 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -66.67 -44.22 82.41 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.668 -0.696 . . . . 10.0 110.203 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 444' ' ' ASP . . . . . 0.574 ' O ' ' HB ' ' D' ' 448' ' ' VAL . 2.4 t70 -61.4 -44.9 96.35 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.819 -179.757 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 445' ' ' LEU . . . . . 0.578 ' O ' HG12 ' D' ' 448' ' ' VAL . 56.1 mt -67.08 -43.07 83.55 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.199 0.444 . . . . 10.0 112.199 -179.507 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -71.82 -45.95 59.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.025 0.441 . . . . 10.0 111.251 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 447' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.73 -28.19 67.44 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.991 -0.55 . . . . 10.0 111.614 -179.6 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 448' ' ' VAL . . . . . 0.578 HG12 ' O ' ' D' ' 445' ' ' LEU . 0.5 OUTLIER -65.09 -28.17 44.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 C-N-CA 120.976 -0.29 . . . . 10.0 110.71 179.355 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -67.19 -33.67 75.89 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.006 -0.738 . . . . 10.0 109.006 178.583 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -87.5 8.26 25.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.237 -0.892 . . . . 10.0 110.333 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 35.6 mmtm -118.56 -52.24 2.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.821 178.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 452' ' ' VAL . . . . . 0.53 HG23 HG22 ' D' ' 448' ' ' VAL . 78.5 t -60.45 -43.87 95.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.917 -0.583 . . . . 10.0 111.13 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -55.31 -61.53 5.88 Favored Pre-proline 0 CA--C 1.54 0.561 0 N-CA-C 112.153 0.427 . . . . 10.0 112.153 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 454' ' ' PRO . . . . . 0.427 ' HA ' ' HB3' ' D' ' 457' ' ' ASP . 36.7 Cg_endo -67.44 -30.34 36.33 Favored 'Trans proline' 0 C--N 1.355 0.918 0 C-N-CA 122.145 1.897 . . . . 10.0 112.758 179.751 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 455' ' ' TYR . . . . . 0.44 ' O ' ' HB2' ' D' ' 459' ' ' PHE . 12.1 t80 -67.02 -49.83 64.01 Favored 'General case' 0 CA--C 1.521 -0.143 0 N-CA-C 109.761 -0.459 . . . . 10.0 109.761 179.311 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 21.6 mt -66.96 -33.83 76.43 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.542 -0.54 . . . . 10.0 109.542 178.584 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 457' ' ' ASP . . . . . 0.427 ' HB3' ' HA ' ' D' ' 454' ' ' PRO . 11.9 t70 -62.03 -55.32 30.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.767 -0.651 . . . . 10.0 110.009 178.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -64.25 -35.57 81.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.475 179.403 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 459' ' ' PHE . . . . . 0.44 ' HB2' ' O ' ' D' ' 455' ' ' TYR . 0.2 OUTLIER -64.56 -47.86 77.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.07 -0.513 . . . . 10.0 109.95 178.842 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -61.99 -37.67 85.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.092 -0.504 . . . . 10.0 110.1 179.236 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -62.73 -42.68 99.78 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.995 -0.548 . . . . 10.0 109.546 178.212 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 462' ' ' LYS . . . . . 0.427 ' HB3' H283 ' D' ' 602' ' ' PCW . 0.3 OUTLIER -68.86 -33.92 74.6 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.663 -0.699 . . . . 10.0 109.52 178.473 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 38.9 m0 -66.26 -42.18 88.88 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 109.301 -0.629 . . . . 10.0 109.301 178.016 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -63.03 -47.5 82.74 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 108.975 -0.75 . . . . 10.0 108.975 178.449 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 465' ' ' GLU . . . . . 0.471 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 40.2 mt-10 -54.88 -52.17 63.67 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.617 -0.719 . . . . 10.0 109.74 178.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 466' ' ' GLU . . . . . 0.45 ' HG3' ' CE2' ' D' ' 470' ' ' TYR . 4.3 tp10 -62.79 -41.54 99.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.431 -0.804 . . . . 10.0 111.231 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 45.1 ttm -61.31 -44.59 96.96 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.817 0.341 . . . . 10.0 110.439 179.111 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -65.81 -39.13 90.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.951 -0.568 . . . . 10.0 109.614 178.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 469' ' ' LEU . . . . . 0.521 HD21 ' HG3' ' A' ' 308' ' ' ARG . 84.7 mt -64.11 -41.66 97.18 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.661 -0.7 . . . . 10.0 109.469 178.799 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 470' ' ' TYR . . . . . 0.45 ' CE2' ' HG3' ' D' ' 466' ' ' GLU . 11.6 m-30 -68.16 -29.35 68.21 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 110.042 -0.355 . . . . 10.0 110.042 178.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -72.61 -16.97 61.72 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.466 -0.568 . . . . 10.0 109.466 177.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -112.82 6.01 17.78 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.027 179.305 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 473' ' ' LYS . . . . . 0.623 ' HE3' ' HB3' ' A' ' 301' ' ' LEU . 47.7 mttp -125.04 -65.78 1.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.78 -0.646 . . . . 10.0 110.436 179.702 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 60.8 t -63.25 -40.76 90.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.028 -0.533 . . . . 10.0 111.091 -179.301 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -57.91 -59.89 11.73 Favored Pre-proline 0 CA--C 1.531 0.247 0 N-CA-C 112.249 0.462 . . . . 10.0 112.249 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -63.15 -36.5 57.8 Favored 'Trans proline' 0 C--N 1.354 0.86 0 C-N-CA 121.574 1.516 . . . . 10.0 110.824 178.496 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 11.1 mt -60.97 -37.68 83.26 Favored 'General case' 0 C--O 1.223 -0.306 0 N-CA-C 109.617 -0.512 . . . . 10.0 109.617 178.479 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 24.3 mtt180 -60.09 -36.02 76.47 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 109.418 -0.586 . . . . 10.0 109.418 178.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -73.53 -43.27 60.39 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.661 -0.7 . . . . 10.0 110.18 179.192 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.74 -43.33 96.79 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.642 -0.503 . . . . 10.0 109.642 178.434 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 66.2 mt -68.94 -30.95 69.5 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-N 115.948 -0.569 . . . . 10.0 109.765 178.619 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -64.4 -49.47 71.43 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.125 -0.694 . . . . 10.0 109.125 178.541 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -66.1 -41.44 90.59 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.944 -0.571 . . . . 10.0 109.53 178.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -62.2 -43.48 99.05 Favored Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 111.512 -0.635 . . . . 10.0 111.512 179.039 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -68.08 -39.54 82.9 Favored 'General case' 0 CA--C 1.517 -0.312 0 N-CA-C 109.907 -0.405 . . . . 10.0 109.907 179.283 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 -64.6 -42.82 95.32 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 109.641 -0.503 . . . . 10.0 109.641 178.553 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -65.52 -43.45 90.02 Favored 'General case' 0 C--O 1.221 -0.412 0 N-CA-C 109.235 -0.654 . . . . 10.0 109.235 178.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -63.29 -39.0 93.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.099 178.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 18.8 mt -62.48 -45.46 92.92 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.023 -0.732 . . . . 10.0 109.023 178.34 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 16.7 t-160 -62.27 -48.49 79.7 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.992 -0.744 . . . . 10.0 108.992 178.485 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -55.07 -47.12 75.31 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.297 179.036 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 492' ' ' LEU . . . . . 0.483 ' O ' ' HG ' ' D' ' 496' ' ' LEU . 12.9 mt -68.14 -40.94 82.31 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 116.08 -0.509 . . . . 10.0 111.513 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -63.58 -31.62 72.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.815 0.341 . . . . 10.0 111.334 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -76.48 1.86 15.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.246 0.546 . . . . 10.0 110.307 178.514 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 495' ' ' LYS . . . . . 0.628 ' HE3' HD22 ' A' ' 279' ' ' LEU . 27.5 mttp -120.55 -38.34 2.89 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.547 -0.751 . . . . 10.0 109.54 178.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 496' ' ' LEU . . . . . 0.539 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 96.1 mt -62.84 -22.87 66.98 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 115.963 -0.562 . . . . 10.0 111.433 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 497' ' ' SER . . . . . 0.465 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 19.8 m -83.17 -63.22 0.26 Allowed Pre-proline 0 CA--C 1.541 0.6 0 CA-C-N 116.62 -0.264 . . . . 10.0 111.467 178.674 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 498' ' ' PRO . . . . . 0.465 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 31.8 Cg_endo -63.38 -48.75 5.47 Favored 'Trans proline' 0 C--N 1.357 0.976 0 C-N-CA 122.092 1.861 . . . . 10.0 111.971 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 499' ' ' LEU . . . . . 0.453 ' HB2' ' O ' ' D' ' 495' ' ' LYS . 46.1 mt -76.22 -29.36 57.55 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 116.714 -0.221 . . . . 10.0 110.765 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 500' ' ' GLY . . . . . 0.539 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -64.49 -50.11 61.17 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.577 -0.82 . . . . 10.0 111.113 179.558 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -70.68 -31.23 68.05 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 178.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 502' ' ' GLU . . . . . 0.469 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 33.9 tt0 -65.62 -47.39 75.8 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.627 -0.715 . . . . 10.0 109.895 178.817 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 503' ' ' MET . . . . . 0.411 ' HA ' ' HD2' ' D' ' 506' ' ' ARG . 79.6 mmm -60.25 -37.64 81.02 Favored 'General case' 0 CA--C 1.52 -0.2 0 N-CA-C 109.575 -0.528 . . . . 10.0 109.575 178.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -68.29 -40.35 81.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.615 178.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 505' ' ' ASP . . . . . 0.935 ' HA ' ' HD2' ' D' ' 508' ' ' ARG . 6.8 t70 -66.58 -36.39 82.51 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.73 -0.47 . . . . 10.0 109.73 178.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 506' ' ' ARG . . . . . 0.469 ' HG3' ' O ' ' D' ' 502' ' ' GLU . 63.6 mtt180 -63.86 -48.33 77.17 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 107.333 -1.358 . . . . 10.0 107.333 177.13 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -58.57 -38.27 77.53 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 114.972 -1.013 . . . . 10.0 109.803 178.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 508' ' ' ARG . . . . . 0.935 ' HD2' ' HA ' ' D' ' 505' ' ' ASP . 92.9 mtt180 -59.4 -46.58 88.3 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 109.246 -0.65 . . . . 10.0 109.246 178.347 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 509' ' ' ALA . . . . . 0.847 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -63.33 -38.21 90.26 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.455 -0.793 . . . . 10.0 111.191 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 510' ' ' HIS . . . . . 0.569 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 84.4 m-70 -72.31 -45.38 60.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.456 -0.338 . . . . 10.0 110.257 179.061 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 39.8 t -63.07 -42.06 95.19 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.084 179.501 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 512' ' ' ASP . . . . . 0.546 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 17.8 t70 -66.88 -35.35 79.82 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-N 116.075 -0.511 . . . . 10.0 109.909 179.341 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -62.55 -43.15 99.51 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.82 -0.807 . . . . 10.0 108.82 178.372 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 514' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' D' ' 510' ' ' HIS . 83.4 mt -61.25 -25.31 67.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.708 -0.678 . . . . 10.0 110.471 179.337 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 515' ' ' ARG . . . . . 0.546 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 78.0 mtt180 -68.57 -30.01 68.69 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.586 -0.524 . . . . 10.0 109.586 178.794 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.78 -17.02 17.89 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.403 179.368 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 33.8 m170 -97.18 -78.31 0.48 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.034 -0.53 . . . . 10.0 111.53 -179.214 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 39.2 mt -60.15 -45.29 93.56 Favored 'General case' 0 C--O 1.232 0.147 0 N-CA-C 113.586 0.958 . . . . 10.0 113.586 -178.059 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 519' ' ' ALA . . . . . 0.729 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -52.84 -61.6 4.52 Favored Pre-proline 0 CA--C 1.535 0.4 0 N-CA-C 112.893 0.701 . . . . 10.0 112.893 -178.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 520' ' ' PRO . . . . . 0.729 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 24.1 Cg_exo -65.6 -40.07 19.12 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 121.782 1.655 . . . . 10.0 111.515 179.044 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -59.05 -40.64 85.73 Favored 'General case' 0 C--O 1.226 -0.15 0 CA-C-N 116.501 -0.318 . . . . 10.0 111.694 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 522' ' ' SER . . . . . 0.439 ' O ' ' HG3' ' D' ' 526' ' ' ARG . 78.0 p -62.7 -36.01 81.55 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.919 -0.312 . . . . 10.0 110.875 179.685 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 523' ' ' ASP . . . . . 0.537 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 18.5 t70 -72.3 -39.81 67.98 Favored 'General case' 0 CA--C 1.52 -0.176 0 N-CA-C 109.879 -0.415 . . . . 10.0 109.879 178.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -65.62 -32.89 74.7 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 108.66 -0.867 . . . . 10.0 108.66 178.067 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 525' ' ' LEU . . . . . 0.533 HD23 ' HD2' ' D' ' 528' ' ' ARG . 0.6 OUTLIER -71.71 -31.35 66.64 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 114.983 -1.008 . . . . 10.0 109.039 177.941 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 526' ' ' ARG . . . . . 0.537 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 64.2 mtt180 -61.96 -34.66 76.54 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 116.125 -0.488 . . . . 10.0 109.744 178.743 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -64.27 -40.78 96.68 Favored 'General case' 0 C--N 1.333 -0.109 0 N-CA-C 109.004 -0.739 . . . . 10.0 109.004 178.51 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 528' ' ' ARG . . . . . 0.55 ' HD3' ' HB2' ' A' ' 246' ' ' ASP . 67.3 mtt180 -68.61 -42.95 77.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.248 -0.887 . . . . 10.0 108.93 178.815 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 96.5 mt -62.57 -40.06 95.65 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-N 115.712 -0.676 . . . . 10.0 109.898 178.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -62.99 -44.46 95.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.887 -0.597 . . . . 10.0 109.812 178.591 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -63.53 -42.31 98.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.025 -0.534 . . . . 10.0 109.668 178.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 18.0 ttm180 -65.47 -42.89 91.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.747 -0.66 . . . . 10.0 110.038 179.304 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 58.9 mt -66.93 -36.39 82.15 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.696 -0.483 . . . . 10.0 109.696 179.085 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -61.94 -47.34 85.31 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.633 -0.877 . . . . 10.0 108.633 178.091 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -63.72 -40.85 97.76 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.462 -0.79 . . . . 10.0 109.278 178.396 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 13.3 mt -60.67 -35.6 76.64 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.804 -0.635 . . . . 10.0 111.056 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -78.03 -43.17 30.16 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.957 0.408 . . . . 10.0 110.968 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -65.36 -50.32 66.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.537 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -73.23 -36.65 66.48 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.734 -0.469 . . . . 10.0 109.734 179.559 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -63.8 -43.9 97.01 Favored Glycine 0 N--CA 1.445 -0.715 0 CA-C-N 115.586 -0.734 . . . . 10.0 111.546 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -61.04 -39.19 96.73 Favored Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 110.594 -1.003 . . . . 10.0 110.594 178.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -67.5 -42.69 82.46 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 109.241 -0.651 . . . . 10.0 109.241 178.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 543' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' D' ' 543' ' ' ARG . 49.2 mtt180 -62.79 -41.84 99.45 Favored 'General case' 0 C--O 1.222 -0.381 0 CA-C-N 115.762 -0.654 . . . . 10.0 109.859 178.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 72.1 mt -59.74 -41.66 91.41 Favored 'General case' 0 CA--C 1.519 -0.227 0 N-CA-C 109.756 -0.461 . . . . 10.0 109.756 178.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -62.99 -47.0 85.01 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.771 -0.65 . . . . 10.0 109.345 178.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -61.88 -45.19 94.83 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.794 178.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -61.39 -43.7 98.41 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.41 -0.359 . . . . 10.0 110.735 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -66.4 -39.44 89.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.09 179.027 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -66.61 -45.06 80.37 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.611 -0.515 . . . . 10.0 109.611 179.203 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.79 -25.79 63.96 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.967 -0.561 . . . . 10.0 110.52 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -65.62 -42.45 91.55 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.759 -0.46 . . . . 10.0 109.759 178.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -65.45 -42.74 92.05 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 108.991 -0.744 . . . . 10.0 108.991 178.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -65.43 -43.0 91.86 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.859 -0.61 . . . . 10.0 109.974 179.256 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 27.2 t60 -60.19 -45.61 92.55 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 108.836 -0.802 . . . . 10.0 108.836 178.634 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 26.3 tp -64.29 -38.69 91.93 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 115.81 -0.632 . . . . 10.0 109.923 178.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 54.6 m -60.29 -44.38 95.43 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.414 179.157 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.09 -33.53 70.28 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.921 0.391 . . . . 10.0 110.712 178.728 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 48.5 mt -64.15 -51.64 62.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.118 -0.492 . . . . 10.0 109.976 179.038 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 4.9 m -66.3 -36.34 82.69 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 109.621 -0.511 . . . . 10.0 109.621 179.285 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -59.4 -35.14 73.39 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-N 115.586 -0.734 . . . . 10.0 110.23 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.21 -40.27 12.98 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.902 -0.59 . . . . 10.0 111.234 179.672 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -52.77 -44.51 66.59 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.57 0.582 . . . . 10.0 112.57 -179.162 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 563' ' ' LYS . . . . . 0.499 ' HB2' ' HD3' ' D' ' 564' ' ' PRO . 94.8 mttt -55.34 -63.59 2.92 Favored Pre-proline 0 CA--C 1.537 0.453 0 N-CA-C 112.813 0.672 . . . . 10.0 112.813 -179.447 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 564' ' ' PRO . . . . . 0.499 ' HD3' ' HB2' ' D' ' 563' ' ' LYS . 53.8 Cg_endo -69.65 -34.46 14.9 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 122.055 1.836 . . . . 10.0 112.969 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -63.88 -55.13 25.07 Favored 'General case' 0 CA--C 1.522 -0.11 0 C-N-CA 121.209 -0.196 . . . . 10.0 111.147 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 46.4 mt -59.06 -41.35 87.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.657 0.265 . . . . 10.0 110.794 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -64.69 -48.22 75.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.265 -0.425 . . . . 10.0 111.204 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.5 -37.87 89.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.727 0.299 . . . . 10.0 110.486 179.546 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 59.5 mt -62.87 -43.37 98.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.052 -0.522 . . . . 10.0 109.616 178.589 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 570' ' ' ARG . . . . . 0.456 ' O ' ' HG ' ' D' ' 574' ' ' LEU . 64.1 mtt180 -66.88 -49.62 65.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.22 -0.445 . . . . 10.0 110.522 178.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -62.93 -21.45 66.07 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.776 -0.647 . . . . 10.0 111.488 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -92.12 -43.44 4.38 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.68 -0.772 . . . . 10.0 111.199 178.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 21.4 mt -65.06 -37.38 87.38 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.276 0.472 . . . . 10.0 112.276 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 574' ' ' LEU . . . . . 0.514 ' O ' ' HG2' ' D' ' 578' ' ' GLU . 56.1 mt -51.62 -62.57 2.85 Favored Pre-proline 0 CA--C 1.535 0.386 0 N-CA-C 112.907 0.706 . . . . 10.0 112.907 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.51 -34.48 33.44 Favored 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 121.706 1.604 . . . . 10.0 111.909 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 24.9 t -64.77 -45.51 94.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.603 0.239 . . . . 10.0 110.656 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 63.1 mt -65.62 -40.92 93.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.494 -0.321 . . . . 10.0 110.584 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 578' ' ' GLU . . . . . 0.518 ' O ' HG23 ' D' ' 582' ' ' VAL . 23.4 mm-40 -61.79 -41.27 97.53 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.967 -0.382 . . . . 10.0 109.967 178.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 16.6 m -68.14 -38.55 82.3 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.892 -0.595 . . . . 10.0 109.707 178.582 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -60.87 -42.39 97.81 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.033 -0.531 . . . . 10.0 109.833 178.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -59.06 -37.38 76.91 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.231 178.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 582' ' ' VAL . . . . . 0.518 HG23 ' O ' ' D' ' 578' ' ' GLU . 52.3 t -64.42 -47.4 89.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 109.544 -0.539 . . . . 10.0 109.544 178.817 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 10.7 p -66.66 -30.82 71.17 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.987 179.099 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -70.74 -44.56 66.54 Favored 'General case' 0 CA--C 1.521 -0.146 0 N-CA-C 109.66 -0.496 . . . . 10.0 109.66 178.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 73.8 mt -59.04 -47.89 83.57 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.629 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 1.3 p -65.43 -33.59 76.3 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.542 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 587' ' ' ALA . . . . . 0.712 ' HA ' ' HE2' ' A' ' 396' ' ' LYS . . . -68.14 -47.75 67.24 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.679 -0.489 . . . . 10.0 109.679 178.763 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 99.2 mt -58.93 -47.59 84.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.859 -0.61 . . . . 10.0 110.589 179.302 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 589' ' ' GLU . . . . . 0.525 ' O ' ' HG3' ' D' ' 593' ' ' LYS . 3.9 mt-10 -56.89 -47.58 80.19 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.414 -0.357 . . . . 10.0 110.569 179.184 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 590' ' ' GLU . . . . . 0.494 ' HG3' ' NZ ' ' A' ' 396' ' ' LYS . 7.3 mm-40 -63.38 -46.14 87.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.92 -0.582 . . . . 10.0 111.161 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -60.62 -38.31 84.34 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.323 -0.399 . . . . 10.0 110.97 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 28.7 m -63.94 -31.02 72.06 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.704 179.37 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 593' ' ' LYS . . . . . 0.525 ' HG3' ' O ' ' D' ' 589' ' ' GLU . 87.2 mttt -76.67 -47.46 22.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.559 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 594' ' ' LYS . . . . . 0.589 ' HE2' ' HB2' ' A' ' 388' ' ' SER . 5.2 mptt -70.34 -33.5 71.56 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.887 -0.597 . . . . 10.0 111.962 -179.032 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 94.6 mt -103.73 39.74 1.56 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.038 0.447 . . . . 10.0 110.77 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 . . . . . 0 C--N 1.321 -0.638 0 CA-C-N 116.399 -0.364 . . . . 10.0 111.064 179.785 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 2.5 m . . . . . 0 N--CA 1.456 -0.175 0 CA-C-O 120.761 0.315 . . . . 10.0 110.344 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' THR . . . . . 0.589 ' HB ' ' CE2' ' B' ' 4' ' ' TYR . 0.2 OUTLIER -104.97 143.64 32.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.277 -0.42 . . . . 10.0 110.379 179.62 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -101.6 134.05 45.33 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.554 -0.294 . . . . 10.0 110.519 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' TYR . . . . . 0.589 ' CE2' ' HB ' ' B' ' 2' ' ' THR . 99.1 m-85 -133.11 129.75 38.35 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.376 -0.375 . . . . 10.0 110.992 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 54.7 mttm -97.57 108.02 20.64 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.412 -0.358 . . . . 10.0 110.177 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 62.0 mt -107.85 133.9 51.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.262 -0.427 . . . . 10.0 110.899 -178.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' VAL . . . . . 0.506 HG11 ' HD2' ' B' ' 71' ' ' TYR . 65.4 t -121.13 122.49 67.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.094 0.473 . . . . 10.0 110.802 179.283 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.423 HG12 ' HE2' ' B' ' 16' ' ' LYS . 41.5 t -89.85 109.57 20.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 109.395 -0.594 . . . . 10.0 109.395 179.716 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 4.7 m -109.18 169.1 3.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.091 -0.504 . . . . 10.0 111.258 -179.324 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 138.08 -176.57 20.63 Favored Glycine 0 N--CA 1.444 -0.816 0 N-CA-C 110.941 -0.864 . . . . 10.0 110.941 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.45 168.26 17.63 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.754 0.277 . . . . 10.0 110.681 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -80.18 152.59 29.1 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.036 0.446 . . . . 10.0 111.333 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' GLY . . . . . 0.526 ' HA2' H5'1 ' B' ' 201' ' ' GSP . . . 75.86 11.65 84.48 Favored Glycine 0 CA--C 1.519 0.341 0 CA-C-N 115.729 -0.669 . . . . 10.0 113.805 179.078 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.458 ' HA ' ' HB2' ' B' ' 83' ' ' ALA . 33.3 m -84.33 -17.09 10.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 117.228 0.514 . . . . 10.0 111.731 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 15' ' ' GLY . . . . . 0.534 ' HA3' ' C8 ' ' B' ' 201' ' ' GSP . . . 97.83 21.51 18.46 Favored Glycine 0 N--CA 1.448 -0.528 0 CA-C-N 115.936 -0.575 . . . . 10.0 111.802 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.61 ' HG2' ' O2B' ' B' ' 201' ' ' GSP . 10.6 ptmm? -66.23 -38.64 88.41 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.728 -0.236 . . . . 10.0 111.197 -179.636 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 17' ' ' SER . . . . . 0.459 ' OG ' ' O3G' ' B' ' 201' ' ' GSP . 0.3 OUTLIER -70.18 -38.95 75.48 Favored 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 109.236 -0.653 . . . . 10.0 109.236 179.493 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.47 -45.09 94.97 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.381 -0.827 . . . . 10.0 109.896 179.258 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 36.4 mt -60.03 -43.97 94.95 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.17 179.016 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' THR . . . . . 0.415 ' O ' HG12 ' B' ' 24' ' ' ILE . 21.8 m -63.9 -51.15 65.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.841 179.677 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 85.4 mt -62.22 -33.5 59.1 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-N 116.484 -0.325 . . . . 10.0 111.535 -179.518 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' GLN . . . . . 0.587 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 2.1 mm-40 -63.39 -30.52 71.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.475 -0.33 . . . . 10.0 111.758 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 6.2 tp -92.69 -39.19 11.41 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.121 0.486 . . . . 10.0 111.195 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.621 HD11 HD13 ' B' ' 55' ' ' ILE . 49.3 mm -70.88 -51.61 34.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.95 -0.568 . . . . 10.0 112.385 -179.039 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -105.4 -9.53 17.5 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.862 0.69 . . . . 10.0 112.862 -178.133 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' ASN . . . . . 0.587 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 2.2 m-80 68.93 33.81 3.4 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 113.354 0.872 . . . . 10.0 113.354 178.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 16.8 p80 -145.89 155.07 42.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.625 0.25 . . . . 10.0 111.158 178.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -105.12 135.95 45.52 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.055 0.455 . . . . 10.0 111.831 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 1.6 m -101.22 114.89 41.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.828 -0.624 . . . . 10.0 110.241 178.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -76.0 -30.56 58.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.993 -179.447 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -78.51 155.68 29.66 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.374 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -88.82 133.59 34.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.474 -0.33 . . . . 10.0 110.372 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -126.5 109.88 23.24 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-O 120.636 0.255 . . . . 10.0 111.528 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo -66.94 118.73 5.79 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.881 2.387 . . . . 10.0 111.262 179.376 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.511 ' OG1' ' O3G' ' B' ' 201' ' ' GSP . 88.9 m -94.05 142.28 27.57 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.897 -0.592 . . . . 10.0 111.765 -178.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 48.1 mm -105.84 -45.29 8.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 107.915 -1.143 . . . . 10.0 107.915 178.196 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -178.33 99.17 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 114.719 -1.128 . . . . 10.0 108.438 179.495 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -112.73 128.04 56.3 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 111.983 0.364 . . . . 10.0 111.983 -178.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -125.5 116.62 22.08 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.144 178.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -119.51 147.15 44.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.421 -0.354 . . . . 10.0 111.464 -179.248 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 2.3 mpp_? -109.5 135.02 51.19 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.731 0.3 . . . . 10.0 111.048 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 37.5 tptt -139.05 118.94 13.25 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.338 179.619 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' GLN . . . . . 0.429 ' HA ' ' O ' ' B' ' 51' ' ' CYS . 51.1 tt0 -108.26 113.94 27.43 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.883 0.373 . . . . 10.0 110.588 178.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 3.9 m -135.43 176.52 8.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.766 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 22.0 t -101.49 95.43 3.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.24 -0.436 . . . . 10.0 109.839 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' ILE . . . . . 0.417 HD11 HD11 ' B' ' 53' ' ' LEU . 46.6 mt -97.23 116.39 39.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.876 -179.29 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 47' ' ' ASP . . . . . 0.59 ' HA ' ' HB3' ' C' ' 128' ' ' LYS . 3.8 m-20 62.74 15.86 8.49 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.176 -0.92 . . . . 10.0 111.928 179.701 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.16 -7.85 54.96 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.641 -0.79 . . . . 10.0 111.863 -179.461 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -106.17 121.84 44.98 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.708 0.289 . . . . 10.0 110.503 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.51 122.12 17.31 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.959 -0.756 . . . . 10.0 108.959 178.646 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 51' ' ' CYS . . . . . 0.429 ' O ' ' HA ' ' B' ' 43' ' ' GLN . 11.6 m -126.94 136.36 52.17 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.34 0.496 . . . . 10.0 112.34 -178.247 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 55.2 tp -98.46 101.87 13.44 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 107.751 -1.203 . . . . 10.0 107.751 177.536 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' LEU . . . . . 0.417 HD11 HD11 ' B' ' 46' ' ' ILE . 29.4 mt -92.31 126.83 37.56 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 112.799 0.666 . . . . 10.0 112.799 -177.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -105.49 99.41 9.02 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 107.18 -1.415 . . . . 10.0 107.18 176.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' ILE . . . . . 0.682 HG12 ' HE1' ' B' ' 156' ' ' PHE . 4.2 mp -90.58 119.96 38.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.977 -0.556 . . . . 10.0 111.537 -178.032 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 52.8 tp -108.44 117.21 33.56 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.623 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' ASP . . . . . 0.486 ' OD2' ' O3G' ' B' ' 201' ' ' GSP . 16.3 t70 -103.64 112.14 24.93 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.028 -0.533 . . . . 10.0 111.418 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 58' ' ' THR . . . . . 0.494 HG21 ' CE1' ' B' ' 71' ' ' TYR . 0.7 OUTLIER -111.99 139.24 47.66 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.809 -0.812 . . . . 10.0 108.809 178.125 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 59' ' ' ALA . . . . . 0.4 ' HB1' ' HG3' ' B' ' 61' ' ' GLN . . . -76.15 135.32 39.8 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.077 0.465 . . . . 10.0 111.595 -178.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -94.24 56.09 2.09 Favored Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 110.857 -0.897 . . . . 10.0 110.857 179.017 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' GLN . . . . . 0.4 ' HG3' ' HB1' ' B' ' 59' ' ' ALA . 33.4 mt-30 -96.0 16.19 18.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.753 -0.223 . . . . 10.0 111.501 -178.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.403 ' HG3' ' H ' ' B' ' 63' ' ' GLU . 2.7 tp10 64.34 -175.27 0.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.88 -0.6 . . . . 10.0 111.331 179.547 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.403 ' H ' ' HG3' ' B' ' 62' ' ' GLU . 0.8 OUTLIER 71.35 -9.05 0.94 Allowed 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.84 0.681 . . . . 10.0 112.84 179.853 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 64' ' ' TYR . . . . . 0.665 ' HB3' ' HB3' ' B' ' 67' ' ' MET . 13.8 m-85 -95.04 45.8 1.11 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.858 0.361 . . . . 10.0 111.099 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.89 -36.37 81.09 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.041 -0.527 . . . . 10.0 111.644 -179.703 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.33 -32.45 18.41 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 121.077 -0.249 . . . . 10.0 111.322 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 67' ' ' MET . . . . . 0.665 ' HB3' ' HB3' ' B' ' 64' ' ' TYR . 27.6 ttt -71.53 -33.78 69.47 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.21 -0.45 . . . . 10.0 111.478 -179.724 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 68' ' ' ARG . . . . . 0.498 ' HA ' ' CE1' ' B' ' 71' ' ' TYR . 1.0 OUTLIER -59.05 -39.05 80.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.788 179.841 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.73 -25.13 67.8 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.371 -0.831 . . . . 10.0 111.777 -179.116 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -69.71 -71.13 0.24 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.983 0.734 . . . . 10.0 112.983 -178.398 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 71' ' ' TYR . . . . . 0.506 ' HD2' HG11 ' B' ' 7' ' ' VAL . 51.8 p90 -62.67 -28.73 70.13 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 113.922 1.082 . . . . 10.0 113.922 -177.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 49.8 mtt -69.61 -25.76 64.11 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.006 0.431 . . . . 10.0 111.795 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 16.1 ttm180 -74.68 -37.71 62.6 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.748 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.07 -32.47 22.82 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.205 0.446 . . . . 10.0 112.205 -179.253 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.71 136.0 49.15 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 121.221 -0.514 . . . . 10.0 113.342 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -96.34 -50.46 4.77 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.25 -0.648 . . . . 10.0 109.25 179.365 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -112.05 136.5 13.57 Favored Glycine 0 N--CA 1.446 -0.648 0 N-CA-C 110.927 -0.869 . . . . 10.0 110.927 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 78' ' ' PHE . . . . . 0.781 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 96.7 m-85 -116.56 130.95 57.04 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.278 0.561 . . . . 10.0 112.125 -178.713 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 12.5 tp -106.36 100.36 9.9 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.459 -0.791 . . . . 10.0 109.254 179.2 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 3.7 m -80.35 93.17 5.9 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.253 -0.431 . . . . 10.0 110.641 -179.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 52.5 t -95.45 126.72 47.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.008 -0.542 . . . . 10.0 111.512 -178.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 82' ' ' PHE . . . . . 0.707 ' HB2' ' HB2' ' B' ' 89' ' ' SER . 24.3 p90 -137.12 149.03 47.06 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.676 -0.693 . . . . 10.0 109.827 179.356 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.458 ' HB2' ' HA ' ' B' ' 14' ' ' VAL . . . -88.27 126.24 35.07 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.02 -0.733 . . . . 10.0 109.02 179.336 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 84' ' ' ILE . . . . . 0.909 HD12 ' HD3' ' B' ' 123' ' ' ARG . 20.0 pt -71.09 -6.35 7.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 112.546 0.572 . . . . 10.0 112.546 -179.068 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 85' ' ' ASN . . . . . 0.449 ' OD1' ' HD2' ' B' ' 117' ' ' LYS . 4.2 p-10 -97.65 2.77 50.19 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.163 0.506 . . . . 10.0 110.112 178.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.433 ' HB3' ' OG ' ' B' ' 89' ' ' SER . 38.9 t-20 -135.54 107.53 7.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.681 -0.69 . . . . 10.0 110.019 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -61.07 -33.01 72.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.882 -0.599 . . . . 10.0 112.067 -179.506 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -56.89 -43.76 81.65 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.969 0.359 . . . . 10.0 111.969 -179.466 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 89' ' ' SER . . . . . 0.707 ' HB2' ' HB2' ' B' ' 82' ' ' PHE . 0.0 OUTLIER -62.89 -34.31 77.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.864 0.364 . . . . 10.0 110.829 179.58 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -72.31 -41.52 66.49 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.514 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -67.4 -33.84 76.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.014 -0.539 . . . . 10.0 110.742 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.74 -16.49 63.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.836 -0.62 . . . . 10.0 112.118 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 93' ' ' ILE . . . . . 0.472 HD11 ' HB3' ' B' ' 82' ' ' PHE . 34.1 mm -59.5 -43.31 90.42 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-O 120.807 0.337 . . . . 10.0 110.971 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 35.2 t60 -68.9 -35.52 76.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.444 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -65.67 -47.45 75.46 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.703 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 96' ' ' TYR . . . . . 0.413 ' O ' HG13 ' B' ' 100' ' ' ILE . 5.5 m-85 -64.58 -30.85 71.88 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.595 179.634 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 42.8 ttt-85 -63.78 -49.19 73.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.846 -0.615 . . . . 10.0 110.295 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -60.8 -37.4 81.82 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.892 -0.595 . . . . 10.0 110.26 179.282 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 99' ' ' GLN . . . . . 0.492 ' O ' HG23 ' B' ' 103' ' ' VAL . 36.4 tp60 -59.21 -55.11 39.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.44 -0.8 . . . . 10.0 110.273 179.647 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 100' ' ' ILE . . . . . 0.413 HG13 ' O ' ' B' ' 96' ' ' TYR . 56.4 mt -57.66 -41.06 78.49 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 CA-C-N 116.205 -0.452 . . . . 10.0 111.49 -179.451 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? -61.7 -31.47 71.61 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.992 -0.549 . . . . 10.0 112.231 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? -89.13 -35.37 16.31 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.719 0.295 . . . . 10.0 111.081 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 103' ' ' VAL . . . . . 0.492 HG23 ' O ' ' B' ' 99' ' ' GLN . 70.1 t -64.41 -49.01 82.77 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-N 116.434 -0.348 . . . . 10.0 111.717 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -90.1 -12.37 38.55 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.49 -0.323 . . . . 10.0 111.638 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 37.4 t70 58.82 56.27 4.19 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.786 0.803 . . . . 10.0 111.168 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 41.2 t -153.71 146.39 24.22 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.554 -0.748 . . . . 10.0 110.055 -179.277 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -96.59 -3.74 42.42 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.174 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -127.9 107.49 9.9 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.994 -0.548 . . . . 10.0 111.03 -179.688 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 66.2 t -142.56 131.75 11.93 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.162 -0.472 . . . . 10.0 109.75 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -59.85 106.78 0.35 Allowed 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.823 2.349 . . . . 10.0 111.639 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 111' ' ' MET . . . . . 0.781 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 58.5 mtm -136.65 141.27 43.18 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.065 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 79.4 t -124.27 133.78 68.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.103 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 17.8 tp -85.77 112.58 21.2 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.42 -0.585 . . . . 10.0 109.42 179.424 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 53.5 t -112.78 114.97 48.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 112.365 0.506 . . . . 10.0 112.365 -178.218 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -98.26 111.56 4.27 Favored Glycine 0 N--CA 1.448 -0.561 0 N-CA-C 110.084 -1.206 . . . . 10.0 110.084 178.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -97.07 166.03 11.78 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.842 0.321 . . . . 10.0 111.685 -178.48 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 117' ' ' LYS . . . . . 0.449 ' HD2' ' OD1' ' B' ' 85' ' ' ASN . 89.8 mttt 71.52 42.45 0.67 Allowed 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.568 -0.742 . . . . 10.0 112.79 179.077 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 118' ' ' CYS . . . . . 0.863 ' HA ' HD11 ' B' ' 84' ' ' ILE . 65.5 m -75.61 -15.63 60.32 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.991 -0.55 . . . . 10.0 110.475 179.459 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -72.61 -33.65 66.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.088 178.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 75.7 mt -73.04 116.23 48.49 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.375 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -72.7 175.15 10.67 Favored 'Trans proline' 0 C--O 1.235 0.356 0 C-N-CA 122.694 2.263 . . . . 10.0 112.19 -179.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 5.5 m 60.5 39.94 17.61 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.958 -0.564 . . . . 10.0 110.817 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 123' ' ' ARG . . . . . 0.909 ' HD3' HD12 ' B' ' 84' ' ' ILE . 10.2 ptt180 -65.61 138.19 57.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.616 -0.72 . . . . 10.0 111.937 -179.572 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.71 -37.62 35.25 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.935 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 57.5 t -90.38 113.59 26.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.131 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 126' ' ' ASP . . . . . 0.47 ' OD1' ' HG2' ' B' ' 128' ' ' LYS . 1.0 OUTLIER -74.18 147.32 42.68 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.607 -179.689 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 3.9 m -62.5 -45.84 91.18 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.255 -0.429 . . . . 10.0 112.109 -178.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 128' ' ' LYS . . . . . 0.47 ' HG2' ' OD1' ' B' ' 126' ' ' ASP . 18.5 pttm -63.58 -39.36 94.19 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.732 0.641 . . . . 10.0 112.732 -178.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -68.93 -28.5 66.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.801 0.334 . . . . 10.0 111.433 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -82.15 -39.05 23.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.956 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -69.91 -43.34 71.89 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.056 -0.52 . . . . 10.0 111.89 -179.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -63.92 -31.12 72.2 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.238 0.542 . . . . 10.0 110.592 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 14.1 tp -66.87 -42.59 85.37 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.801 -0.636 . . . . 10.0 109.356 178.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.38 -33.5 75.86 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.485 -0.78 . . . . 10.0 109.729 179.259 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 2.7 ttp180 -61.43 -40.37 94.19 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.732 -0.667 . . . . 10.0 110.026 178.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 32.6 t -70.63 -34.89 72.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.295 179.285 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 21.7 m-30 -72.12 -38.16 69.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.979 -0.555 . . . . 10.0 111.124 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 100.74 28.76 6.85 Favored Glycine 0 N--CA 1.449 -0.463 0 N-CA-C 111.104 -0.798 . . . . 10.0 111.104 -179.014 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 32.2 pt -129.27 163.9 43.05 Favored Pre-proline 0 C--O 1.234 0.271 0 CA-C-N 115.502 -0.349 . . . . 10.0 110.172 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -91.46 144.21 3.15 Favored 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 122.469 2.113 . . . . 10.0 112.667 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -112.16 133.25 54.41 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.194 -0.669 . . . . 10.0 109.194 178.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 57.1 mt -130.87 136.58 57.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.697 0.284 . . . . 10.0 111.222 -179.373 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -86.49 127.24 34.85 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 108.648 -0.871 . . . . 10.0 108.648 178.06 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 72.1 p -134.22 167.08 21.34 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.653 0.739 . . . . 10.0 112.213 -178.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -163.19 109.85 1.17 Allowed 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.97 -1.013 . . . . 10.0 108.454 177.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 146' ' ' ALA . . . . . 0.444 ' HB3' ' N7 ' ' B' ' 201' ' ' GSP . . . -63.82 -35.9 82.14 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.021 -0.536 . . . . 10.0 111.137 -178.464 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -63.09 -32.7 74.14 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.272 -0.422 . . . . 10.0 111.792 -179.46 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 1.1 m -101.43 -6.16 24.37 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.966 0.358 . . . . 10.0 111.966 -179.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 149' ' ' ARG . . . . . 0.436 ' O ' ' HG3' ' B' ' 149' ' ' ARG . 12.8 tpt180 61.91 34.96 16.59 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 122.131 0.967 . . . . 10.0 110.171 -179.578 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -107.17 132.93 52.49 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.872 -0.604 . . . . 10.0 111.069 -179.125 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 79.16 -5.61 58.89 Favored Glycine 0 N--CA 1.452 -0.261 0 CA-C-N 115.955 -0.566 . . . . 10.0 113.721 178.483 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 152' ' ' VAL . . . . . 0.433 HG21 ' HD2' ' B' ' 149' ' ' ARG . 28.8 t -61.14 -55.75 22.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.903 0.382 . . . . 10.0 110.829 -179.217 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -64.15 -35.57 81.2 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.998 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -63.03 -53.26 56.59 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.995 -0.548 . . . . 10.0 111.514 -179.339 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -57.69 -46.79 83.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.943 -0.571 . . . . 10.0 112.036 -179.019 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 156' ' ' PHE . . . . . 0.682 ' HE1' HG12 ' B' ' 55' ' ' ILE . 28.0 m-85 -62.65 -47.9 81.68 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 112.198 0.444 . . . . 10.0 112.198 -179.276 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -63.69 -46.64 84.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.056 0.455 . . . . 10.0 111.113 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 158' ' ' THR . . . . . 0.595 ' HA ' ' HE ' ' B' ' 161' ' ' ARG . 91.1 m -59.63 -38.28 80.9 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 113.073 0.768 . . . . 10.0 113.073 -179.206 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 24.0 tp -60.93 -37.08 81.04 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.948 0.404 . . . . 10.0 110.913 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 49.0 t -69.26 -35.62 68.64 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 CA-C-N 115.898 -0.592 . . . . 10.0 109.837 179.263 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 161' ' ' ARG . . . . . 0.595 ' HE ' ' HA ' ' B' ' 158' ' ' THR . 0.9 OUTLIER -62.3 -40.23 95.61 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.903 -0.59 . . . . 10.0 110.509 179.183 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -67.08 -34.22 77.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.047 -0.524 . . . . 10.0 111.18 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 73.9 mt -64.68 -46.17 93.12 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.154 0 N-CA-C 109.692 -0.484 . . . . 10.0 109.692 179.09 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 49.9 mtt85 -64.55 -40.02 94.82 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.466 -0.568 . . . . 10.0 109.466 178.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -60.41 -42.09 95.25 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.11 -0.95 . . . . 10.0 110.776 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 48.7 t-80 -58.88 -46.75 87.09 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.901 0.381 . . . . 10.0 110.906 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -64.19 -35.12 79.75 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.36 -0.382 . . . . 10.0 111.204 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -70.7 -43.72 68.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.28 0.562 . . . . 10.0 109.601 178.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -65.83 -30.4 71.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.363 -0.835 . . . . 10.0 111.073 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 9.3 mmt -68.49 -38.6 81.12 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.922 0.392 . . . . 10.0 111.097 179.291 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 36.9 m -72.59 -21.58 61.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.066 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 32.6 mtpt -96.06 -23.82 16.61 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.517 -0.31 . . . . 10.0 111.288 179.276 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 173' ' ' ASP . . . . . . . . . . . . . 20.4 t70 67.05 -75.71 0.06 Allowed 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.468 0.707 . . . . 10.0 111.705 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . -165.71 -71.97 0.03 OUTLIER Glycine 0 N--CA 1.443 -0.856 0 N-CA-C 110.446 -1.062 . . . . 10.0 110.446 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 175' ' ' LYS . . . . . 0.403 ' NZ ' ' O4 ' ' C' ' 215' ' ' 17F . 99.7 mttt -140.93 154.8 46.26 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.444 -0.576 . . . . 10.0 109.444 179.384 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 176' ' ' LYS . . . . . 0.43 ' HZ3' ' H1 ' ' B' ' 210' ' ' 17F . 27.2 mtpp 63.22 85.07 0.14 Allowed 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 113.562 0.949 . . . . 10.0 113.562 178.343 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 177' ' ' LYS . . . . . 0.457 ' HD3' ' HA ' ' B' ' 177' ' ' LYS . 42.3 mmtt -137.57 -123.36 0.14 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.285 -0.416 . . . . 10.0 111.327 178.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 178' ' ' LYS . . . . . 0.501 ' HE3' ' HB2' ' B' ' 178' ' ' LYS . 19.0 mtmt 65.98 35.57 6.35 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 121.136 0.493 . . . . 10.0 110.618 -179.353 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 179' ' ' LYS . . . . . . . . . . . . . 7.0 ttmm -69.35 112.78 6.12 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.404 -0.816 . . . . 10.0 112.414 -178.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 180' ' ' LYS . . . . . 0.601 ' O ' ' H63' ' A' ' 401' ' ' PCW . 64.6 tttm -163.69 104.17 0.93 Allowed 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.746 0.308 . . . . 10.0 111.296 178.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 181' ' ' SER . . . . . 0.497 ' HB2' ' O2P' ' B' ' 204' ' ' PCW . 0.4 OUTLIER -139.84 163.17 33.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.333 -0.394 . . . . 10.0 110.965 179.121 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -145.55 123.9 12.32 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.377 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.23 -57.43 2.12 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.838 0.351 . . . . 10.0 110.456 179.146 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 184' ' ' LYS . . . . . 0.469 ' HB2' ' H4A' ' A' ' 416' ' ' 17F . 98.5 mttt . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.038 -0.528 . . . . 10.0 111.067 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 13.9 m . . . . . 0 CA--C 1.531 0.214 0 CA-C-O 120.635 0.255 . . . . 10.0 111.126 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 2.2 m -78.11 128.74 34.27 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 110.117 -0.327 . . . . 10.0 110.117 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 3' ' ' GLU . . . . . 0.444 ' HA ' ' HB3' ' C' ' 52' ' ' LEU . 25.9 tt0 -87.96 143.11 27.28 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.38 -0.373 . . . . 10.0 111.379 -179.117 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 4' ' ' TYR . . . . . 0.43 ' CD2' ' HB3' ' C' ' 51' ' ' CYS . 97.0 m-85 -137.09 106.68 6.15 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.514 -0.551 . . . . 10.0 109.514 179.446 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 5' ' ' LYS . . . . . 0.589 ' HA ' ' HB3' ' C' ' 54' ' ' ASP . 36.3 mtmm -88.46 113.22 23.82 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.887 0.375 . . . . 10.0 110.316 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 6' ' ' LEU . . . . . 0.606 HD12 HG12 ' C' ' 55' ' ' ILE . 0.0 OUTLIER -120.2 126.8 51.53 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.296 -0.411 . . . . 10.0 111.089 -177.942 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 97.9 t -107.19 124.43 63.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 109.649 -0.5 . . . . 10.0 109.649 179.321 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.448 HG12 ' HG3' ' C' ' 16' ' ' LYS . 2.9 t -89.32 118.76 35.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.172 0.51 . . . . 10.0 109.687 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 16.2 m -117.39 159.41 17.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.305 -0.407 . . . . 10.0 111.302 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.62 177.27 34.55 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 110.843 -0.903 . . . . 10.0 110.843 -179.622 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.01 -168.15 1.69 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.905 0.383 . . . . 10.0 111.492 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -81.4 132.81 35.34 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.256 0.55 . . . . 10.0 112.457 -179.4 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 13' ' ' GLY . . . . . 0.766 ' HA2' H5'1 ' C' ' 201' ' ' GSP . . . 65.13 35.24 91.49 Favored Glycine 0 CA--C 1.517 0.194 0 CA-C-N 115.446 -0.797 . . . . 10.0 114.657 178.35 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 29.6 m -93.2 -8.35 10.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 120.871 0.367 . . . . 10.0 111.686 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 15' ' ' GLY . . . . . 0.616 ' HA2' ' H8 ' ' C' ' 201' ' ' GSP . . . 93.65 23.01 24.73 Favored Glycine 0 N--CA 1.452 -0.248 0 N-CA-C 110.929 -0.868 . . . . 10.0 110.929 -178.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 16' ' ' LYS . . . . . 0.448 ' HG3' HG12 ' C' ' 8' ' ' VAL . 35.5 ttmt -60.72 -36.83 79.84 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.073 -0.564 . . . . 10.0 110.897 -179.284 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 17' ' ' SER . . . . . 0.471 ' OG ' ' O3G' ' C' ' 201' ' ' GSP . 31.2 m -91.79 -33.02 15.15 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.211 -0.449 . . . . 10.0 111.364 -179.413 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.15 -46.68 85.26 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.639 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 19' ' ' LEU . . . . . 0.478 ' HG ' ' HB2' ' C' ' 146' ' ' ALA . 32.2 mt -65.04 -47.41 77.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.695 179.008 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 23.6 m -58.8 -45.33 90.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.991 -0.55 . . . . 10.0 111.979 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 91.9 mt -65.12 -32.21 57.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.818 0.342 . . . . 10.0 110.874 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 22' ' ' GLN . . . . . 0.658 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 10.1 mm-40 -68.52 -21.06 64.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.444 -0.344 . . . . 10.0 111.417 179.352 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 4.5 tp -92.72 -36.31 12.99 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.149 0.5 . . . . 10.0 110.417 179.129 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 24' ' ' ILE . . . . . 0.536 HD11 HD12 ' C' ' 55' ' ' ILE . 50.2 mm -82.58 -68.9 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.073 -0.512 . . . . 10.0 111.36 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 -78.18 -25.9 47.36 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.064 -0.516 . . . . 10.0 111.251 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 26' ' ' ASN . . . . . 0.658 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 48.2 m-80 73.88 38.47 0.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.33 -0.85 . . . . 10.0 112.895 179.165 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 21.9 p-80 -148.07 154.25 39.97 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.123 -0.49 . . . . 10.0 110.306 178.521 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 28' ' ' PHE . . . . . 0.461 ' HB2' ' NE2' ' C' ' 22' ' ' GLN . 69.4 t80 -95.72 134.31 38.8 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.999 0.428 . . . . 10.0 111.609 -178.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 2.5 m -102.51 113.79 40.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.842 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -81.85 -18.61 43.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.109 0.48 . . . . 10.0 110.572 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -83.92 125.91 32.48 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.823 -0.626 . . . . 10.0 109.527 179.446 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 32' ' ' TYR . . . . . 0.519 ' CD1' H5'2 ' C' ' 201' ' ' GSP . 22.2 t80 -66.44 118.87 10.69 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.255 0.55 . . . . 10.0 111.419 -179.08 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -115.81 105.91 50.76 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.818 -0.628 . . . . 10.0 109.699 179.294 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 34' ' ' PRO . . . . . 0.57 ' HA ' ' S1G' ' C' ' 201' ' ' GSP . 72.0 Cg_endo -76.28 62.3 6.84 Favored 'Trans proline' 0 CA--C 1.532 0.398 0 C-N-CA 122.959 2.439 . . . . 10.0 112.446 -179.534 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.88 124.79 21.01 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.907 -0.588 . . . . 10.0 111.037 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 36' ' ' ILE . . . . . 0.707 ' HA ' ' HB2' ' C' ' 59' ' ' ALA . 38.1 mm -82.35 -53.05 12.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 123.455 0.472 . . . . 10.0 110.394 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -154.15 99.44 2.23 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.885 -0.598 . . . . 10.0 110.402 -179.361 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -118.77 141.15 48.89 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.444 -0.344 . . . . 10.0 110.658 -179.403 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.91 131.67 56.06 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.888 0.375 . . . . 10.0 110.986 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -129.5 138.87 51.62 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.316 -0.402 . . . . 10.0 111.119 -179.583 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 41' ' ' ARG . . . . . 0.522 ' HD2' ' OD2' ' C' ' 54' ' ' ASP . 0.9 OUTLIER -116.16 143.17 45.85 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.529 -0.305 . . . . 10.0 110.461 179.825 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 52.0 tttp -152.28 132.23 13.37 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-O 121.007 0.432 . . . . 10.0 110.97 179.468 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -101.47 111.95 24.35 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.987 -0.746 . . . . 10.0 108.987 179.48 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 3.7 m -132.23 165.7 31.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.9 0.381 . . . . 10.0 111.245 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 93.6 t -103.04 111.68 33.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 109.547 -0.538 . . . . 10.0 109.547 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 24.1 mt -119.97 120.76 64.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.491 -0.322 . . . . 10.0 110.938 -179.353 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 47' ' ' ASP . . . . . 0.439 ' OD1' ' HD2' ' C' ' 161' ' ' ARG . 4.0 m-20 62.7 23.57 14.04 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.575 -0.739 . . . . 10.0 112.325 179.448 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.52 8.38 64.1 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.989 -0.624 . . . . 10.0 113.065 179.505 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -121.66 140.65 52.01 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 110.292 -0.262 . . . . 10.0 110.292 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 56.1 m -78.9 112.73 16.36 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 107.999 -1.111 . . . . 10.0 107.999 178.361 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 51' ' ' CYS . . . . . 0.43 ' HB3' ' CD2' ' C' ' 4' ' ' TYR . 12.8 m -108.62 135.79 49.28 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 112.767 0.655 . . . . 10.0 112.767 -177.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 52' ' ' LEU . . . . . 0.444 ' HB3' ' HA ' ' C' ' 3' ' ' GLU . 29.8 tp -99.38 101.88 13.29 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.382 -0.97 . . . . 10.0 108.382 178.295 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 49.2 mt -83.48 122.35 28.42 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 112.678 0.621 . . . . 10.0 112.678 -178.267 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 54' ' ' ASP . . . . . 0.589 ' HB3' ' HA ' ' C' ' 5' ' ' LYS . 9.4 t70 -107.85 86.62 2.33 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.077 -1.453 . . . . 10.0 107.077 177.514 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 55' ' ' ILE . . . . . 0.606 HG12 HD12 ' C' ' 6' ' ' LEU . 9.5 mt -85.81 138.36 19.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.809 -0.632 . . . . 10.0 111.97 -176.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 36.3 tp -127.8 112.94 15.33 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.763 179.442 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -93.8 112.22 24.04 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.07 -0.715 . . . . 10.0 109.07 179.189 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 33.9 p -102.36 174.25 5.99 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.369 -0.378 . . . . 10.0 111.721 -178.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 59' ' ' ALA . . . . . 0.707 ' HB2' ' HA ' ' C' ' 36' ' ' ILE . . . -96.17 135.49 37.9 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.25 0.548 . . . . 10.0 110.703 179.206 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -106.54 35.77 4.83 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.73 -0.748 . . . . 10.0 111.875 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -97.92 18.16 16.54 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 111.7 0.259 . . . . 10.0 111.7 -179.058 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 62' ' ' GLU . . . . . 0.58 ' HG3' ' H ' ' C' ' 63' ' ' GLU . 4.1 tp10 62.59 -172.26 0.16 Allowed 'General case' 0 CA--C 1.532 0.256 0 O-C-N 123.25 0.344 . . . . 10.0 111.109 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 63' ' ' GLU . . . . . 0.58 ' H ' ' HG3' ' C' ' 62' ' ' GLU . 26.8 tt0 73.87 2.8 4.31 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 122.963 0.505 . . . . 10.0 111.72 179.511 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 64' ' ' TYR . . . . . 0.753 ' HB3' ' HB3' ' C' ' 67' ' ' MET . 14.4 m-85 -112.63 47.23 1.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.186 0.517 . . . . 10.0 111.123 -179.068 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -44.05 97.84 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.583 -0.735 . . . . 10.0 111.436 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -82.09 -36.45 27.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.21 0.529 . . . . 10.0 110.186 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 67' ' ' MET . . . . . 0.753 ' HB3' ' HB3' ' C' ' 64' ' ' TYR . 19.3 ttt -61.28 -33.91 74.32 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.802 -0.635 . . . . 10.0 110.368 179.34 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 68' ' ' ARG . . . . . 0.462 ' HA ' ' CZ ' ' C' ' 71' ' ' TYR . 1.6 ttp180 -60.19 -48.02 83.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.163 -0.471 . . . . 10.0 110.429 179.552 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.62 -37.52 78.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.859 179.469 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -54.65 -45.3 73.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.182 -0.917 . . . . 10.0 112.545 -179.32 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 71' ' ' TYR . . . . . 0.462 ' CZ ' ' HA ' ' C' ' 68' ' ' ARG . 15.5 p90 -91.89 -23.18 19.72 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 113.228 0.825 . . . . 10.0 113.228 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 72' ' ' MET . . . . . 0.416 ' HE2' HG13 ' C' ' 100' ' ' ILE . 44.6 mtt -64.3 -27.68 69.2 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.334 0.588 . . . . 10.0 111.459 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 73' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' C' ' 73' ' ' ARG . 32.2 mtm105 -79.95 -14.8 58.33 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.869 -0.605 . . . . 10.0 112.255 -179.544 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 1.8 m -107.0 -41.41 5.18 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.079 0.4 . . . . 10.0 112.079 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -58.46 116.15 8.11 Favored Glycine 0 C--N 1.329 0.184 0 C-N-CA 121.293 -0.48 . . . . 10.0 113.132 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 76' ' ' GLU . . . . . 0.412 ' HG3' ' HB2' ' C' ' 5' ' ' LYS . 62.6 mt-10 -73.99 -42.88 59.75 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.889 -0.412 . . . . 10.0 109.889 -179.526 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -122.65 143.58 15.43 Favored Glycine 0 N--CA 1.445 -0.715 0 N-CA-C 110.534 -1.027 . . . . 10.0 110.534 179.09 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 78' ' ' PHE . . . . . 0.437 ' HB2' ' HG2' ' C' ' 111' ' ' MET . 77.8 m-85 -118.41 126.33 51.84 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 117.195 0.497 . . . . 10.0 111.863 -178.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 79' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' C' ' 79' ' ' LEU . 11.1 tp -97.53 106.38 18.69 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.812 -0.631 . . . . 10.0 109.694 179.621 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 4.2 m -83.43 88.32 6.99 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.031 0.443 . . . . 10.0 111.02 -179.568 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 99.0 t -95.92 128.93 46.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.02 -0.536 . . . . 10.0 110.979 -179.389 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 82' ' ' PHE . . . . . 0.415 ' HB3' HD11 ' C' ' 93' ' ' ILE . 39.3 p90 -138.9 169.62 17.45 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.217 -0.66 . . . . 10.0 109.217 179.091 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 83' ' ' ALA . . . . . 0.42 ' HB3' ' HB3' ' C' ' 86' ' ' ASN . . . -106.9 133.92 50.83 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 110.076 -0.342 . . . . 10.0 110.076 -179.739 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 84' ' ' ILE . . . . . 0.777 HD12 ' HB3' ' C' ' 123' ' ' ARG . 12.5 pt -66.94 -15.36 19.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 111.819 0.303 . . . . 10.0 111.819 -179.283 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 9.8 p-10 -103.04 9.17 38.69 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.151 0.501 . . . . 10.0 110.103 179.213 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 86' ' ' ASN . . . . . 0.42 ' HB3' ' HB3' ' C' ' 83' ' ' ALA . 53.5 t-20 -127.97 97.24 4.73 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.455 -0.793 . . . . 10.0 109.588 179.572 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 1.4 m -63.9 -35.93 82.28 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.933 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 23.4 tptp -60.69 -37.23 80.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.88 0.371 . . . . 10.0 111.301 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 95.1 p -68.16 -28.4 67.26 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.681 -0.408 . . . . 10.0 110.482 179.049 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -76.97 -35.58 57.11 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 109.064 -0.717 . . . . 10.0 109.064 178.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -68.77 -37.11 79.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.657 -0.701 . . . . 10.0 110.23 178.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.97 -17.71 65.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.593 -0.73 . . . . 10.0 112.063 -179.08 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 93' ' ' ILE . . . . . 0.415 HD11 ' HB3' ' C' ' 82' ' ' PHE . 49.0 mm -57.95 -42.18 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 N-CA-C 109.75 -0.463 . . . . 10.0 109.75 179.262 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -65.72 -46.05 80.42 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.61 -0.723 . . . . 10.0 109.441 179.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 60.6 m80 -60.07 -44.06 95.0 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.539 -0.755 . . . . 10.0 111.732 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 96' ' ' TYR . . . . . 0.416 ' O ' HG13 ' C' ' 100' ' ' ILE . 4.7 m-85 -65.52 -50.06 66.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.359 -0.382 . . . . 10.0 111.409 179.534 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -56.12 -48.63 75.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.273 -0.421 . . . . 10.0 111.574 -179.161 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -61.09 -30.83 70.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.213 -0.449 . . . . 10.0 112.191 -179.397 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -75.15 -42.48 55.99 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.027 -0.36 . . . . 10.0 110.027 179.351 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 100' ' ' ILE . . . . . 0.416 HG13 ' HE2' ' C' ' 72' ' ' MET . 81.2 mt -57.04 -47.39 83.68 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.214 179.531 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -56.35 -39.66 73.21 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.747 -0.66 . . . . 10.0 112.085 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -77.5 -46.94 20.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.656 0.265 . . . . 10.0 111.71 -179.164 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 68.9 t -63.58 -44.54 98.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.793 0.33 . . . . 10.0 111.601 -179.336 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 15.8 tttp -82.36 -10.78 58.94 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.537 -0.301 . . . . 10.0 110.988 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 12.2 t70 56.03 50.52 13.59 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.546 -0.752 . . . . 10.0 111.355 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 9.6 t -149.99 157.08 42.79 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 116.143 -0.48 . . . . 10.0 110.925 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -95.18 -29.42 14.54 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.728 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -114.61 111.37 21.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.96 0.409 . . . . 10.0 110.747 -178.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 109' ' ' VAL . . . . . 0.422 ' HA ' ' HD3' ' C' ' 110' ' ' PRO . 59.9 t -127.94 134.66 26.46 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 115.965 -0.561 . . . . 10.0 109.661 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 110' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' C' ' 109' ' ' VAL . 38.6 Cg_exo -61.89 108.5 0.66 Allowed 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.868 2.379 . . . . 10.0 111.654 179.224 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 111' ' ' MET . . . . . 0.437 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 32.3 mtm -138.25 152.19 48.34 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.397 -179.732 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 69.0 t -134.49 128.01 50.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.374 -0.602 . . . . 10.0 109.374 178.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 15.5 tp -83.8 114.22 21.47 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.404 -0.591 . . . . 10.0 109.404 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 60.5 t -117.58 117.84 56.44 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.475 0 CA-C-N 116.136 -0.483 . . . . 10.0 111.207 -178.419 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -98.85 118.22 6.1 Favored Glycine 0 N--CA 1.448 -0.561 0 N-CA-C 110.516 -1.033 . . . . 10.0 110.516 178.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 116' ' ' ASN . . . . . 0.519 ' ND2' ' HA3' ' C' ' 15' ' ' GLY . 64.9 t30 -100.84 167.48 10.26 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.971 0.385 . . . . 10.0 111.5 -178.815 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 117' ' ' LYS . . . . . 0.486 ' HB3' HD12 ' C' ' 120' ' ' LEU . 83.6 mttt 64.48 26.8 13.47 Favored 'General case' 0 N--CA 1.461 0.097 0 CA-C-N 115.741 -0.663 . . . . 10.0 111.35 179.678 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 118' ' ' CYS . . . . . 0.645 ' HA ' HD13 ' C' ' 84' ' ' ILE . 59.4 m -64.36 -18.02 64.27 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.952 0.723 . . . . 10.0 112.952 -179.343 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -90.32 2.08 55.89 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.789 0.328 . . . . 10.0 111.804 -179.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 120' ' ' LEU . . . . . 0.486 HD12 ' HB3' ' C' ' 117' ' ' LYS . 17.1 mt -81.58 140.98 48.12 Favored Pre-proline 0 C--O 1.236 0.37 0 CA-C-N 116.383 -0.371 . . . . 10.0 110.459 179.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 121' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' C' ' 120' ' ' LEU . 21.2 Cg_exo -66.85 138.41 48.41 Favored 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 122.788 2.325 . . . . 10.0 113.158 -179.393 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 55.4 m 60.88 92.13 0.05 Allowed 'General case' 0 C--O 1.234 0.265 0 N-CA-C 113.637 0.977 . . . . 10.0 113.637 178.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 123' ' ' ARG . . . . . 0.777 ' HB3' HD12 ' C' ' 84' ' ' ILE . 11.8 ptp180 -89.34 147.2 24.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.013 179.509 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 7.9 p -94.6 -30.31 14.42 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.838 0.351 . . . . 10.0 110.16 178.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 125' ' ' VAL . . . . . 0.501 ' O ' ' HD3' ' C' ' 123' ' ' ARG . 64.4 t -95.43 120.55 44.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.115 179.006 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 126' ' ' ASP . . . . . 0.464 ' O ' ' HG2' ' C' ' 129' ' ' GLN . 0.6 OUTLIER -72.94 140.88 47.74 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.185 179.629 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 1.8 m -63.24 -35.27 79.79 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.749 0.309 . . . . 10.0 110.467 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 128' ' ' LYS . . . . . 0.59 ' HB3' ' HA ' ' B' ' 47' ' ' ASP . 43.1 mtmt -54.86 -54.73 38.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.765 -0.652 . . . . 10.0 111.638 179.712 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 129' ' ' GLN . . . . . 0.464 ' HG2' ' O ' ' C' ' 126' ' ' ASP . 4.6 pt20 -62.41 -35.2 78.47 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 120.882 0.372 . . . . 10.0 111.826 -179.438 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.4 -41.26 85.21 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.038 0.447 . . . . 10.0 110.271 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -70.83 -39.02 73.25 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.861 -0.608 . . . . 10.0 110.028 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -63.87 -45.3 90.07 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.578 -0.737 . . . . 10.0 110.81 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 37.0 tp -59.83 -44.25 94.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.299 179.423 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 134' ' ' ALA . . . . . 0.438 ' HB1' ' O ' ' C' ' 139' ' ' ILE . . . -63.27 -37.07 85.79 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.762 -0.654 . . . . 10.0 110.215 179.283 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -61.71 -45.87 92.09 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.762 -0.653 . . . . 10.0 111.155 179.552 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 14.7 m -69.08 -35.9 77.03 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.124 -0.489 . . . . 10.0 111.509 -179.38 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -78.28 -18.33 55.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.438 -0.346 . . . . 10.0 111.563 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 78.87 21.43 68.46 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 121.027 -0.606 . . . . 10.0 112.157 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 139' ' ' ILE . . . . . 0.438 ' O ' ' HB1' ' C' ' 134' ' ' ALA . 44.9 pt -115.59 154.9 47.89 Favored Pre-proline 0 C--N 1.324 -0.518 0 N-CA-C 110.394 -0.225 . . . . 10.0 110.394 -179.513 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -77.62 148.29 25.81 Favored 'Trans proline' 0 C--O 1.233 0.267 0 C-N-CA 122.572 2.182 . . . . 10.0 113.122 -179.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -120.7 127.66 52.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.709 -0.678 . . . . 10.0 109.641 178.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 54.3 mt -130.96 130.97 64.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.864 0.364 . . . . 10.0 111.305 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -84.41 131.01 34.72 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.418 -0.956 . . . . 10.0 108.418 177.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 144' ' ' THR . . . . . 0.406 HG22 ' HA3' ' C' ' 151' ' ' GLY . 43.7 p -133.14 172.57 12.48 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.685 0.755 . . . . 10.0 112.35 -178.277 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 10.0 t -153.39 116.56 4.59 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.002 -0.999 . . . . 10.0 108.341 178.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 146' ' ' ALA . . . . . 0.632 ' HB3' ' N7 ' ' C' ' 201' ' ' GSP . . . -76.13 -29.99 58.04 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.236 -0.653 . . . . 10.0 109.236 179.505 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 147' ' ' LYS . . . . . 0.478 ' HB2' ' N1 ' ' C' ' 201' ' ' GSP . 75.7 tttt -65.12 -44.07 89.94 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 114.792 -1.095 . . . . 10.0 111.64 179.631 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.46 -0.97 34.29 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.062 0.393 . . . . 10.0 112.062 -179.053 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 149' ' ' ARG . . . . . 0.474 ' HG3' ' HB3' ' C' ' 22' ' ' GLN . 20.4 ttt-85 56.71 49.23 14.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.283 0.563 . . . . 10.0 112.118 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -115.26 128.78 56.36 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.582 -0.735 . . . . 10.0 110.652 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 151' ' ' GLY . . . . . 0.406 ' HA3' HG22 ' C' ' 144' ' ' THR . . . 86.21 -1.1 87.59 Favored Glycine 0 CA--C 1.516 0.12 0 CA-C-N 116.042 -0.526 . . . . 10.0 113.55 178.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 152' ' ' VAL . . . . . 0.409 ' H ' HG23 ' C' ' 152' ' ' VAL . 3.2 t -63.43 -56.81 14.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.887 0.375 . . . . 10.0 111.306 -178.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -60.08 -41.99 93.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.645 -0.707 . . . . 10.0 110.312 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -62.09 -47.35 85.02 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.976 -0.556 . . . . 10.0 112.163 -179.17 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -57.0 -53.91 52.7 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.284 -0.416 . . . . 10.0 111.648 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -62.08 -43.8 98.06 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.088 -0.505 . . . . 10.0 111.78 -179.658 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -63.84 -44.12 94.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.963 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 158' ' ' THR . . . . . 0.671 ' HA ' ' HE ' ' C' ' 161' ' ' ARG . 55.5 m -60.08 -39.18 85.19 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.614 0.598 . . . . 10.0 112.614 -179.435 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 44.7 tp -58.47 -35.26 71.91 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.898 0.38 . . . . 10.0 110.704 179.33 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 62.2 t -64.61 -39.02 84.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.145 179.241 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 161' ' ' ARG . . . . . 0.671 ' HE ' ' HA ' ' C' ' 158' ' ' THR . 0.1 OUTLIER -62.27 -39.98 94.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.95 -0.568 . . . . 10.0 109.96 179.04 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -68.26 -31.16 70.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.676 -0.693 . . . . 10.0 111.147 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 95.6 mt -67.1 -44.86 87.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 N-CA-C 109.534 -0.543 . . . . 10.0 109.534 178.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 37.5 mtt85 -67.53 -38.45 84.25 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.561 -0.533 . . . . 10.0 109.561 178.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -59.57 -38.81 82.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.268 -0.878 . . . . 10.0 109.771 179.293 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -65.01 -47.96 75.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.323 -0.853 . . . . 10.0 110.418 179.033 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -61.37 -41.96 97.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.944 -0.571 . . . . 10.0 111.036 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -65.41 -46.5 79.77 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.0 -0.545 . . . . 10.0 110.527 179.395 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 21.7 tttt -62.97 -39.31 94.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.109 -0.496 . . . . 10.0 111.022 -179.359 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 62.9 mmm -72.26 -30.44 64.85 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.359 -0.382 . . . . 10.0 111.756 -179.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 75.4 m -65.96 -23.27 66.56 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.339 0.496 . . . . 10.0 112.339 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 59.8 mtpt -117.86 -4.96 11.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.409 -0.359 . . . . 10.0 110.778 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 173' ' ' ASP . . . . . 0.507 ' OD1' ' HE2' ' C' ' 176' ' ' LYS . 19.1 t70 51.84 51.51 16.4 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.722 0.772 . . . . 10.0 110.745 -178.563 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . 77.65 -93.39 1.14 Allowed Glycine 0 N--CA 1.443 -0.861 0 CA-C-N 115.067 -0.97 . . . . 10.0 110.914 -178.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 175' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -128.56 27.92 5.48 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 111.744 0.276 . . . . 10.0 111.744 179.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 176' ' ' LYS . . . . . 0.507 ' HE2' ' OD1' ' C' ' 173' ' ' ASP . 12.3 ttmm -83.64 38.63 0.64 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.38 0.61 . . . . 10.0 111.058 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 177' ' ' LYS . . . . . . . . . . . . . 23.1 mmtm -145.49 24.7 1.39 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.377 0.608 . . . . 10.0 110.664 179.558 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 178' ' ' LYS . . . . . 0.452 ' HB2' ' O1 ' ' C' ' 215' ' ' 17F . 26.2 mtpp -87.17 61.0 6.48 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.045 -0.525 . . . . 10.0 111.762 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 179' ' ' LYS . . . . . 0.574 ' HE2' ' C1 ' ' C' ' 212' ' ' PCW . 8.0 mmmt -119.22 72.95 0.92 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.637 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 180' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -88.69 118.77 28.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.591 -0.277 . . . . 10.0 110.609 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 181' ' ' SER . . . . . 0.587 ' HB2' H332 ' C' ' 207' ' ' PCW . 68.9 m -145.16 -11.59 0.55 Allowed 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.765 0.654 . . . . 10.0 112.765 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 182' ' ' LYS . . . . . 0.595 ' HE2' H351 ' C' ' 207' ' ' PCW . 12.5 ttmm -170.25 122.48 0.66 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.509 0.195 . . . . 10.0 110.592 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 6.1 m -83.66 -54.72 4.72 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.839 0.352 . . . . 10.0 110.866 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 184' ' ' LYS . . . . . 0.512 ' HA ' ' H73' ' C' ' 207' ' ' PCW . 55.2 mtmt . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.47 -0.332 . . . . 10.0 110.503 -179.218 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 401' ' ' PCW . . . . . 0.968 H322 H382 ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 402' ' ' PCW . . . . . 0.98 H411 H361 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 403' ' ' PCW . . . . . 1.199 ' C31' H362 ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 404' ' ' PCW . . . . . 1.089 H182 H221 ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 405' ' ' PCW . . . . . 0.87 H361 ' C44' ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 406' ' ' PCW . . . . . 1.104 H471 ' H58' ' B' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 407' ' ' PCW . . . . . 1.095 H212 ' C16' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 408' ' ' PCW . . . . . 1.014 H271 H462 ' D' ' 619' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 409' ' ' PCW . . . . . 1.19 ' C19' H142 ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 410' ' ' PCW . . . . . 1.076 H122 H152 ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 411' ' ' PCW . . . . . 1.012 H283 H222 ' C' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 412' ' ' PCW . . . . . 1.05 H432 H462 ' A' ' 410' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 413' ' ' PCW . . . . . 1.059 H451 H232 ' C' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 414' ' ' PCW . . . . . 1.124 H141 ' H62' ' A' ' 415' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 415' ' ' 17F . . . . . 1.124 ' H62' H141 ' A' ' 414' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 416' ' ' 17F . . . . . 0.596 ' O9 ' ' H20' ' A' ' 416' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 417' ' ' PCW . . . . . 0.911 H472 H251 ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 418' ' ' PCW . . . . . 1.072 H341 ' C13' ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 419' ' ' PCW . . . . . 1.008 H251 H412 ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 420' ' ' PCW . . . . . 1.087 H362 H412 ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 421' ' ' PCW . . . . . 0.957 H351 H151 ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 422' ' ' 17F . . . . . 1.076 ' H62' H421 ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 601' ' ' PCW . . . . . 0.985 H371 H121 ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 602' ' ' PCW . . . . . 1.045 H172 H212 ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 603' ' ' PCW . . . . . 0.927 H412 H371 ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 604' ' ' PCW . . . . . 1.114 ' H41' ' H31' ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 605' ' ' PCW . . . . . 0.936 ' C18' H362 ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 606' ' ' PCW . . . . . 1.054 H172 H212 ' D' ' 606' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 607' ' ' PCW . . . . . 1.091 H431 H472 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 608' ' ' PCW . . . . . 1.042 H181 ' H11' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 609' ' ' PCW . . . . . 1.057 H442 H472 ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 610' ' ' PCW . . . . . 1.053 ' H63' ' H6A' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 611' ' ' PCW . . . . . 0.973 H483 H242 ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 612' ' ' PCW . . . . . 1.037 ' H63' H321 ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 613' ' ' PCW . . . . . 1.072 ' C13' H341 ' A' ' 418' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 614' ' ' PCW . . . . . 0.936 H362 ' C18' ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 615' ' ' PCW . . . . . 0.974 H461 H421 ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 616' ' ' PCW . . . . . 1.057 H472 H442 ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 617' ' ' PCW . . . . . 1.096 H483 H221 ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 618' ' ' PCW . . . . . 1.119 ' H41' ' H2 ' ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 619' ' ' PCW . . . . . 1.071 H132 H321 ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 620' ' ' PCW . . . . . 1.021 H482 H222 ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 621' ' ' PCW . . . . . 1.032 H141 ' O9 ' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 622' ' ' PCW . . . . . 1.076 H421 ' H62' ' A' ' 422' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 623' ' ' PCW . . . . . 1.108 H322 ' C36' ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 624' ' ' PCW . . . . . 1.013 H242 H242 ' C' ' 217' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 625' ' ' PCW . . . . . 1.046 H412 H412 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 626' ' ' PCW . . . . . 1.091 H472 H431 ' D' ' 607' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 627' ' ' PCW . . . . . 1.061 H142 H151 ' D' ' 619' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 628' ' ' 17F . . . . . 0.993 ' H57' H19A ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 629' ' ' 17F . . . . . 1.042 ' H11' H181 ' D' ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 630' ' ' 17F . . . . . 0.869 ' H57' H162 ' A' ' 421' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 631' ' ' 17F . . . . . 1.053 ' H6A' ' H63' ' D' ' 610' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 632' ' ' 17F . . . . . 1.036 ' H55' ' H39' ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 201' ' ' GSP . . . . . 0.61 ' O2B' ' HG2' ' B' ' 16' ' ' LYS . . . . . . . . 0 O4'--C1' 1.437 1.89 1 O4'-C1'-N19 113.165 4.965 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 202' ' ' ' MG' . . . . . 0.596 'MG ' ' O3G' ' B' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 203' ' ' PCW . . . . . 1.054 ' H51' H331 ' C' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 204' ' ' PCW . . . . . 1.008 H231 H272 ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 205' ' ' PCW . . . . . 1.096 H221 H483 ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 206' ' ' PCW . . . . . 1.037 H341 H322 ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 207' ' ' PCW . . . . . 1.042 ' H41' ' H31' ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 208' ' ' PCW . . . . . 1.024 H481 H161 ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 209' ' ' 17F . . . . . 1.039 ' H18' H211 ' B' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 210' ' ' 17F . . . . . 1.032 H20A ' H2 ' ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 211' ' ' 17F . . . . . 1.104 ' H58' H471 ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 201' ' ' GSP . . . . . 0.766 H5'1 ' HA2' ' C' ' 13' ' ' GLY . . . . . . . . 0 O4'--C1' 1.439 2.094 2 O4'-C1'-N19 112.663 4.463 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 202' ' ' ' MG' . . . . . 0.625 'MG ' ' O3G' ' C' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 203' ' ' PCW . . . . . 1.07 H132 H171 ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 204' ' ' PCW . . . . . 1.055 ' H39' ' H47' ' B' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 205' ' ' PCW . . . . . 0.998 ' H32' H152 ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 206' ' ' PCW . . . . . 1.084 H182 H172 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 207' ' ' PCW . . . . . 1.076 H152 H122 ' A' ' 410' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 208' ' ' PCW . . . . . 1.084 H172 H182 ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 209' ' ' PCW . . . . . 1.061 ' O4P' ' H32' ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 210' ' ' PCW . . . . . 1.059 H232 H451 ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 211' ' ' PCW . . . . . 1.054 H331 ' H51' ' B' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 212' ' ' PCW . . . . . 1.035 H422 ' H40' ' C' ' 215' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 213' ' ' 17F . . . . . 0.854 ' O6 ' ' H62' ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 214' ' ' 17F . . . . . 0.963 ' H37' ' H52' ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 215' ' ' 17F . . . . . 1.035 ' H40' H422 ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 216' ' ' PCW . . . . . 1.031 H152 H162 ' C' ' 217' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 217' ' ' PCW . . . . . 1.122 H141 ' H32' ' C' ' 219' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 218' ' ' 17F . . . . . 0.992 ' H68' ' H11' ' A' ' 422' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 219' ' ' 17F . . . . . 1.122 ' H32' H141 ' C' ' 217' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 32.0 mt . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.685 0.279 . . . . 10.0 110.68 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 8.2 tmtm? -63.93 -44.91 91.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.037 -0.529 . . . . 10.0 111.437 -179.174 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 86.4 mt -68.01 -36.42 79.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.92 0.391 . . . . 10.0 110.791 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 54.2 mt -69.78 -39.79 76.42 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.656 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -68.97 -44.34 73.12 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.721 -0.672 . . . . 10.0 110.663 179.51 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -73.94 -14.22 61.01 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.037 -0.529 . . . . 10.0 111.912 -179.703 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 21.3 t90 -69.51 -32.62 71.59 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 108.806 -0.813 . . . . 10.0 108.806 178.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -62.57 -40.7 97.72 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.371 -0.831 . . . . 10.0 110.478 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.38 -40.75 91.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.773 -0.649 . . . . 10.0 110.354 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 39.0 t -70.59 -40.03 76.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.041 178.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 26.5 m -59.76 -46.1 90.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.702 -0.681 . . . . 10.0 111.637 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 2.7 p -65.86 -45.03 83.64 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.049 0.452 . . . . 10.0 110.238 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 213' ' ' THR . . . . . 0.623 ' O ' ' HG ' ' A' ' 217' ' ' LEU . 39.2 m -58.23 -46.27 86.2 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.05 178.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 214' ' ' PHE . . . . . 0.801 ' HZ ' H162 ' A' ' 405' ' ' PCW . 0.2 OUTLIER -59.8 -40.35 88.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.573 179.273 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 14.2 m -62.65 -46.59 87.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.227 -0.442 . . . . 10.0 109.991 179.043 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 40.5 mmtt -60.86 -41.51 96.05 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.965 -0.562 . . . . 10.0 109.885 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 217' ' ' LEU . . . . . 0.623 ' HG ' ' O ' ' A' ' 213' ' ' THR . 88.9 mt -64.15 -42.58 96.71 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.3 179.262 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 24.4 ttm180 -65.78 -40.32 91.88 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.312 -0.403 . . . . 10.0 110.676 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -66.48 -27.94 68.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.014 0.435 . . . . 10.0 110.356 178.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -82.63 -28.93 30.42 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.74 -0.664 . . . . 10.0 109.411 178.469 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 221' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 221' ' ' LEU . 13.9 mt -55.86 -41.58 74.58 Favored 'General case' 0 C--O 1.225 -0.196 0 CA-C-N 116.264 -0.425 . . . . 10.0 111.58 179.75 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -53.21 -67.84 1.93 Allowed Glycine 0 CA--C 1.518 0.263 0 N-CA-C 111.435 -0.666 . . . . 10.0 111.435 179.027 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -51.73 -44.9 41.54 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.996 2.464 . . . . 10.0 111.371 178.045 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 224' ' ' VAL . . . . . 0.634 HG22 ' HD3' ' D' ' 550' ' ' LYS . 25.0 t -55.43 -48.76 76.64 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-O 120.636 0.255 . . . . 10.0 110.694 179.316 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 225' ' ' THR . . . . . 0.444 ' O ' ' HB2' ' A' ' 229' ' ' TRP . 30.4 m -62.6 -44.67 95.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.068 -0.515 . . . . 10.0 109.971 179.541 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -61.72 -51.72 67.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.329 -0.396 . . . . 10.0 111.241 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -60.31 -47.36 86.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.921 -0.581 . . . . 10.0 111.257 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -64.68 -43.12 94.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.342 -0.39 . . . . 10.0 110.947 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 229' ' ' TRP . . . . . 0.444 ' HB2' ' O ' ' A' ' 225' ' ' THR . 1.1 m-90 -65.6 -37.01 85.41 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 116.272 -0.422 . . . . 10.0 111.46 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -59.35 -44.65 92.64 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.34 -0.615 . . . . 10.0 109.34 178.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 231' ' ' ASN . . . . . 0.688 ' HA ' ' HE2' ' A' ' 234' ' ' LYS . 78.6 m-20 -69.22 -34.61 75.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.483 -0.781 . . . . 10.0 109.611 178.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 41.9 mt -67.42 -32.8 73.93 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.976 -0.556 . . . . 10.0 109.522 178.242 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 233' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 229' ' ' TRP . 13.5 mm-40 -65.58 -42.96 91.15 Favored 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 109.048 -0.723 . . . . 10.0 109.048 178.059 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 234' ' ' LYS . . . . . 0.688 ' HE2' ' HA ' ' A' ' 231' ' ' ASN . 13.0 mtmt -69.09 -32.4 71.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.745 -0.661 . . . . 10.0 109.26 178.429 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.5 -48.48 66.98 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 115.733 -0.667 . . . . 10.0 109.892 178.753 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 2.5 p -67.18 -40.65 86.58 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.051 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -59.01 -44.67 91.72 Favored 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 109.622 -0.51 . . . . 10.0 109.622 178.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -59.22 -46.4 93.88 Favored Glycine 0 N--CA 1.448 -0.502 0 N-CA-C 110.7 -0.96 . . . . 10.0 110.7 178.362 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 239' ' ' LEU . . . . . 0.567 ' HA ' ' HB2' ' A' ' 242' ' ' GLU . 14.5 mt -68.37 -27.51 66.3 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.686 0.279 . . . . 10.0 111.691 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -68.96 -38.02 79.16 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.246 0.546 . . . . 10.0 109.689 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -75.88 -36.22 59.58 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.413 -0.958 . . . . 10.0 108.413 177.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 242' ' ' GLU . . . . . 0.567 ' HB2' ' HA ' ' A' ' 239' ' ' LEU . 1.1 mt-10 -64.13 -37.95 89.31 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 115.046 -0.979 . . . . 10.0 109.962 178.26 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 243' ' ' MET . . . . . 0.653 ' HG3' HD12 ' A' ' 247' ' ' LEU . 48.7 ttm -55.84 -36.59 67.69 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.699 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 2.3 m -68.52 0.89 3.54 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.848 -0.615 . . . . 10.0 111.745 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -133.3 -56.09 0.91 Allowed 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.136 179.112 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 246' ' ' ASP . . . . . 0.595 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 17.4 t70 -55.94 -41.5 74.74 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.706 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 247' ' ' LEU . . . . . 0.653 HD12 ' HG3' ' A' ' 243' ' ' MET . 17.4 mt -98.44 -40.76 8.12 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.151 0.426 . . . . 10.0 112.151 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -61.95 -43.93 97.81 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.934 -0.306 . . . . 10.0 111.614 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -68.36 -34.44 76.08 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.953 -0.299 . . . . 10.0 111.043 179.475 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 250' ' ' VAL . . . . . 0.789 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 0.8 OUTLIER -66.96 -22.29 29.34 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.513 0 C-N-CA 120.681 -0.408 . . . . 10.0 110.668 179.768 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 251' ' ' LYS . . . . . 0.5 ' HG3' ' O ' ' A' ' 247' ' ' LEU . 82.3 mttt -86.47 -46.61 10.04 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.371 -0.603 . . . . 10.0 109.371 178.174 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -64.14 -37.35 87.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.978 -0.555 . . . . 10.0 110.967 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -86.36 -15.65 39.82 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.213 -0.449 . . . . 10.0 111.464 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 254' ' ' VAL . . . . . 0.789 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.3 OUTLIER -67.99 -25.69 32.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.654 -0.418 . . . . 10.0 110.727 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 255' ' ' GLN . . . . . 0.587 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 9.2 mt-30 -60.28 -62.2 6.41 Favored Pre-proline 0 N--CA 1.452 -0.336 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.513 179.384 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 256' ' ' PRO . . . . . 0.587 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 38.3 Cg_endo -68.35 -28.91 32.54 Favored 'Trans proline' 0 C--N 1.356 0.921 0 C-N-CA 121.62 1.546 . . . . 10.0 111.68 178.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 6.7 m-30 -65.81 -54.59 24.85 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-O 120.87 0.367 . . . . 10.0 110.678 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 258' ' ' LEU . . . . . 0.564 ' HG ' HG22 ' A' ' 254' ' ' VAL . 62.6 mt -66.7 -35.04 79.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.371 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -63.47 -46.76 84.72 Favored 'General case' 0 CA--C 1.517 -0.324 0 O-C-N 123.41 0.444 . . . . 10.0 110.036 178.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -56.58 -53.29 59.31 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.187 179.231 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -63.41 -41.65 98.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.569 -0.742 . . . . 10.0 111.467 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.54 -40.98 85.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.537 0.208 . . . . 10.0 111.101 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.32 -44.99 95.22 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.08 -0.711 . . . . 10.0 109.08 179.302 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 264' ' ' LYS . . . . . 0.595 ' NZ ' ' HB2' ' D' ' 513' ' ' ALA . 78.2 mttt -68.4 -36.6 79.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.689 -0.687 . . . . 10.0 109.755 178.461 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -63.12 -39.09 93.66 Favored 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 109.585 -0.524 . . . . 10.0 109.585 178.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -59.58 -49.47 77.65 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 108.883 -0.784 . . . . 10.0 108.883 178.555 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -64.25 -41.16 97.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.656 -0.702 . . . . 10.0 110.39 179.14 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 268' ' ' GLU . . . . . 0.471 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 4.9 mt-10 -60.87 -44.31 97.23 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.951 -0.388 . . . . 10.0 109.951 178.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 90.9 mmm -68.17 -42.73 79.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.947 -0.57 . . . . 10.0 110.063 179.087 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -60.77 -50.22 74.33 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 116.227 -0.442 . . . . 10.0 109.843 179.095 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 271' ' ' LEU . . . . . 0.49 ' O ' ' HD3' ' A' ' 275' ' ' LYS . 39.0 mt -60.28 -39.18 85.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.064 -0.517 . . . . 10.0 109.89 178.759 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 272' ' ' TYR . . . . . 0.422 ' HD1' ' HA ' ' A' ' 272' ' ' TYR . 0.5 OUTLIER -63.23 -50.87 68.51 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.174 -0.466 . . . . 10.0 109.948 178.644 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 61.0 mtt85 -63.59 -38.57 91.63 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.62 -0.264 . . . . 10.0 110.985 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 44.4 mm-40 -63.9 -25.81 68.32 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.646 179.433 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 275' ' ' LYS . . . . . 0.622 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 11.1 mptt -93.33 -30.69 15.0 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.963 -0.562 . . . . 10.0 109.855 178.46 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 276' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 272' ' ' TYR . 4.2 t -55.59 -45.42 78.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 10.0 111.746 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 277' ' ' GLU . . . . . 0.405 ' HB2' ' CD ' ' A' ' 278' ' ' PRO . 12.7 mt-10 -58.87 -61.14 8.36 Favored Pre-proline 0 C--O 1.234 0.262 0 N-CA-C 112.729 0.64 . . . . 10.0 112.729 -179.509 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 278' ' ' PRO . . . . . 0.405 ' CD ' ' HB2' ' A' ' 277' ' ' GLU . 20.4 Cg_endo -60.89 -42.38 38.09 Favored 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 122.026 1.817 . . . . 10.0 112.347 179.35 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 279' ' ' LEU . . . . . 0.756 HD22 ' HE3' ' D' ' 495' ' ' LYS . 20.0 mt -63.36 -41.61 98.84 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 121.007 -0.277 . . . . 10.0 110.875 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -62.21 -42.05 98.94 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 109.397 -0.594 . . . . 10.0 109.397 178.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -62.88 -46.84 85.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.804 -0.634 . . . . 10.0 110.038 179.193 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -59.08 -48.53 81.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.195 179.176 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 94.1 mt -62.86 -39.04 93.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.593 -0.731 . . . . 10.0 110.577 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -64.22 -50.36 68.32 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.677 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -62.09 -41.62 98.38 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.207 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -64.21 -47.22 87.15 Favored Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 110.767 -0.933 . . . . 10.0 110.767 178.563 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -58.58 -40.65 83.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.601 0.239 . . . . 10.0 110.42 179.496 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -56.59 -46.82 80.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.477 179.132 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 11.0 tm0? -72.43 -49.2 35.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.86 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -57.6 -43.38 84.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.09 -0.504 . . . . 10.0 112.128 -179.649 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 92.3 mt -72.84 -38.39 67.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.641 -0.254 . . . . 10.0 111.126 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 24.0 t-80 -65.06 -36.93 85.9 Favored 'General case' 0 CA--C 1.521 -0.155 0 N-CA-C 108.663 -0.866 . . . . 10.0 108.663 178.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -60.88 -36.2 78.59 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 115.235 -0.893 . . . . 10.0 109.006 178.18 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 13.4 mt -71.04 -42.42 69.52 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 115.503 -0.771 . . . . 10.0 109.853 178.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 295' ' ' GLN . . . . . 0.457 ' HA ' ' HB2' ' A' ' 298' ' ' LEU . 66.3 mt-30 -62.43 -30.89 71.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.376 179.371 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -67.5 -9.32 41.19 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.792 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 297' ' ' LYS . . . . . 0.565 ' HB3' HD12 ' A' ' 301' ' ' LEU . 58.7 mmtt -112.74 -37.8 4.76 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.617 -0.883 . . . . 10.0 108.617 178.117 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 298' ' ' LEU . . . . . 0.542 ' O ' ' HA3' ' A' ' 302' ' ' GLY . 43.6 mt -57.69 -32.17 67.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.524 -0.762 . . . . 10.0 111.978 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 299' ' ' SER . . . . . 0.844 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 1.1 m -87.31 -67.3 0.16 Allowed Pre-proline 0 CA--C 1.537 0.461 0 N-CA-C 112.137 0.421 . . . . 10.0 112.137 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 300' ' ' PRO . . . . . 0.844 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 43.4 Cg_exo -59.6 -55.85 1.55 Allowed 'Trans proline' 0 C--N 1.355 0.887 0 C-N-CA 122.28 1.987 . . . . 10.0 112.63 -179.606 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 301' ' ' LEU . . . . . 0.565 HD12 ' HB3' ' A' ' 297' ' ' LYS . 88.9 mt -73.87 -21.24 60.17 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.06 0.457 . . . . 10.0 110.385 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 302' ' ' GLY . . . . . 0.542 ' HA3' ' O ' ' A' ' 298' ' ' LEU . . . -70.53 -52.58 15.71 Favored Glycine 0 N--CA 1.443 -0.852 0 N-CA-C 111.017 -0.833 . . . . 10.0 111.017 178.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -65.33 -34.57 78.64 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.675 -0.491 . . . . 10.0 109.675 178.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -63.02 -41.33 99.52 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.603 -0.726 . . . . 10.0 109.479 178.122 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 7.4 tpt -66.04 -42.76 89.12 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.659 -0.7 . . . . 10.0 109.513 178.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 306' ' ' ARG . . . . . 0.48 ' O ' ' HG3' ' A' ' 310' ' ' ARG . 70.4 mtt180 -59.51 -44.67 93.07 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.299 178.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 307' ' ' ASP . . . . . 0.506 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 27.6 t70 -65.97 -41.87 90.6 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.828 179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 308' ' ' ARG . . . . . 0.656 ' HG3' HD21 ' D' ' 469' ' ' LEU . 19.8 mmt180 -65.48 -31.98 73.35 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.258 -0.645 . . . . 10.0 109.258 178.411 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 309' ' ' ALA . . . . . 0.52 ' HA ' ' HB2' ' A' ' 312' ' ' HIS . . . -68.43 -35.88 78.24 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 108.906 -0.776 . . . . 10.0 108.906 178.265 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 310' ' ' ARG . . . . . 0.506 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 75.9 mtt180 -58.71 -42.77 89.41 Favored 'General case' 0 CA--C 1.516 -0.335 0 N-CA-C 108.998 -0.741 . . . . 10.0 108.998 177.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -71.34 -38.81 71.61 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.663 -0.699 . . . . 10.0 109.557 178.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 312' ' ' HIS . . . . . 0.52 ' HB2' ' HA ' ' A' ' 309' ' ' ALA . 0.1 OUTLIER -54.9 -51.26 66.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.437 -0.801 . . . . 10.0 109.521 178.443 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 313' ' ' VAL . . . . . 0.583 ' HA ' HD12 ' A' ' 316' ' ' LEU . 21.1 t -76.68 -29.72 18.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.541 -0.754 . . . . 10.0 111.522 -179.68 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -63.03 -48.51 78.46 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.548 -0.538 . . . . 10.0 109.548 179.112 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -59.38 -36.81 76.48 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.011 -0.737 . . . . 10.0 109.011 178.57 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 316' ' ' LEU . . . . . 0.583 HD12 ' HA ' ' A' ' 313' ' ' VAL . 44.8 mt -66.12 -53.49 37.24 Favored 'General case' 0 C--O 1.219 -0.548 0 CA-C-N 115.32 -0.855 . . . . 10.0 109.38 178.512 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 17.5 mtm105 -56.09 -43.13 77.75 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.184 0.439 . . . . 10.0 112.184 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 2.0 m -69.88 -23.1 63.2 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.01 0.374 . . . . 10.0 112.01 -179.284 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 7.9 m170 -97.56 -41.7 8.03 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 111.779 0.288 . . . . 10.0 111.779 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 93.3 mt -64.17 -33.57 76.1 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.917 0.34 . . . . 10.0 111.917 -179.358 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 321' ' ' ALA . . . . . 0.404 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -55.94 -62.47 4.62 Favored Pre-proline 0 CA--C 1.535 0.392 0 C-N-CA 121.079 -0.248 . . . . 10.0 111.497 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 322' ' ' PRO . . . . . 0.404 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 28.6 Cg_endo -66.12 -33.44 40.53 Favored 'Trans proline' 0 C--N 1.354 0.834 0 C-N-CA 121.393 1.396 . . . . 10.0 111.125 178.827 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 323' ' ' TYR . . . . . 0.429 ' O ' ' HG ' ' A' ' 327' ' ' LEU . 10.0 m-30 -61.78 -47.72 83.91 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.553 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 324' ' ' SER . . . . . 0.458 ' HA ' HD12 ' A' ' 327' ' ' LEU . 25.0 p -66.53 -37.74 85.67 Favored 'General case' 0 CA--C 1.517 -0.301 0 O-C-N 123.279 0.362 . . . . 10.0 110.338 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 325' ' ' ASP . . . . . 0.805 ' HA ' ' HD2' ' A' ' 328' ' ' ARG . 8.1 t0 -64.35 -39.11 93.23 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.247 0.546 . . . . 10.0 109.668 179.128 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -70.67 -30.6 67.23 Favored 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 108.906 -0.775 . . . . 10.0 108.906 177.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 327' ' ' LEU . . . . . 0.695 HD23 ' HD2' ' A' ' 330' ' ' ARG . 67.9 mt -69.77 -32.28 70.7 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 108.672 -0.862 . . . . 10.0 108.672 178.121 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 328' ' ' ARG . . . . . 0.805 ' HD2' ' HA ' ' A' ' 325' ' ' ASP . 83.1 mtt180 -63.37 -38.66 92.0 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 108.701 -0.852 . . . . 10.0 108.701 177.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -66.55 -41.44 88.69 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 108.709 -0.849 . . . . 10.0 108.709 177.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 330' ' ' ARG . . . . . 0.866 HH21 ' HB3' ' D' ' 447' ' ' GLU . 34.3 mtt180 -59.41 -49.53 77.45 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 115.533 -0.758 . . . . 10.0 109.873 178.655 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 25.0 mt -56.96 -44.95 83.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.681 -0.69 . . . . 10.0 110.233 179.13 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 332' ' ' ALA . . . . . 0.473 ' O ' ' HB2' ' A' ' 336' ' ' GLU . . . -63.31 -42.7 99.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.607 179.744 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -66.45 -48.78 68.84 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.791 179.457 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 28.4 mmt180 -60.82 -51.69 68.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.855 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 335' ' ' LEU . . . . . 0.576 ' O ' ' HB2' ' A' ' 339' ' ' LYS . 35.7 mt -64.05 -37.88 89.05 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.152 0.427 . . . . 10.0 112.152 -179.237 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 336' ' ' GLU . . . . . 0.473 ' HB2' ' O ' ' A' ' 332' ' ' ALA . 11.2 tt0 -65.61 -44.14 87.46 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.765 -0.374 . . . . 10.0 110.543 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -65.83 -45.04 83.72 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 109.937 -0.394 . . . . 10.0 109.937 179.32 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 89.9 mt -72.06 -11.63 60.84 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.85 -0.614 . . . . 10.0 111.697 179.53 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 339' ' ' LYS . . . . . 0.576 ' HB2' ' O ' ' A' ' 335' ' ' LEU . 46.9 tttt -89.16 -45.94 9.19 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.924 0.393 . . . . 10.0 110.098 179.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -66.15 -48.16 71.7 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 108.831 -0.803 . . . . 10.0 108.831 178.393 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 341' ' ' ASN . . . . . 0.412 ' O ' ' HG3' ' A' ' 345' ' ' ARG . 15.2 t-20 -70.31 -35.77 73.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.347 -0.842 . . . . 10.0 109.045 178.342 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -62.12 -45.54 95.85 Favored Glycine 0 N--CA 1.448 -0.538 0 CA-C-N 115.681 -0.69 . . . . 10.0 111.78 179.566 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -62.83 -37.88 95.59 Favored Glycine 0 N--CA 1.445 -0.715 0 N-CA-C 110.58 -1.008 . . . . 10.0 110.58 178.7 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 344' ' ' ALA . . . . . 0.505 ' O ' ' HB2' ' A' ' 348' ' ' GLU . . . -64.95 -43.2 93.46 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 109.685 -0.487 . . . . 10.0 109.685 178.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 345' ' ' ARG . . . . . 0.483 ' HG2' ' OD1' ' D' ' 429' ' ' ASN . 49.9 mtm180 -63.52 -44.1 95.25 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.102 -0.499 . . . . 10.0 109.818 179.005 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 47.7 mt -60.65 -54.84 40.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.72 -0.673 . . . . 10.0 110.773 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.26 -43.2 82.81 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.216 0.532 . . . . 10.0 110.635 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 348' ' ' GLU . . . . . 0.514 ' HB3' ' HE2' ' A' ' 352' ' ' LYS . 2.7 tt0 -64.7 -46.15 83.58 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.601 -0.727 . . . . 10.0 110.113 179.56 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -63.05 -31.85 73.08 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.747 0.277 . . . . 10.0 111.747 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 32.3 m-70 -66.01 -40.13 90.83 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.604 -0.887 . . . . 10.0 108.604 177.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -68.86 -41.44 78.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.399 -0.819 . . . . 10.0 109.44 178.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 352' ' ' LYS . . . . . 0.514 ' HE2' ' HB3' ' A' ' 348' ' ' GLU . 38.4 mttm -61.97 -44.22 97.2 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.023 -0.732 . . . . 10.0 109.023 178.448 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -61.79 -32.78 73.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.648 -0.705 . . . . 10.0 109.982 179.117 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 57.7 m -66.0 -43.2 88.42 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.794 -0.817 . . . . 10.0 108.794 179.219 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -63.94 -38.64 91.83 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.533 -0.543 . . . . 10.0 109.533 177.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 -64.71 -40.21 94.97 Favored 'General case' 0 C--O 1.223 -0.333 0 N-CA-C 109.303 -0.629 . . . . 10.0 109.303 178.254 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 68.6 mt -66.66 -38.0 85.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.568 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 20.2 m -63.11 -40.62 98.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.254 179.561 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.32 -32.02 54.99 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.521 -0.548 . . . . 10.0 109.521 179.185 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 30.6 tp -66.18 -30.12 70.53 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-N 115.717 -0.674 . . . . 10.0 109.446 178.512 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 50.5 m -63.09 -33.78 76.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.831 -0.622 . . . . 10.0 109.331 178.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 362' ' ' GLU . . . . . 0.623 ' HA ' ' HD2' ' A' ' 366' ' ' PRO . 20.7 mm-40 -72.34 -17.76 61.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.825 -0.625 . . . . 10.0 110.195 178.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 363' ' ' LYS . . . . . 0.674 ' HE2' HG23 ' D' ' 411' ' ' THR . 81.1 mttt -92.38 -38.08 12.22 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.01 179.056 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -80.51 -19.64 45.38 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.539 -0.755 . . . . 10.0 112.582 -179.2 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 365' ' ' LYS . . . . . 1.012 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 71.2 mttt -113.97 -77.41 0.01 OUTLIER Pre-proline 0 CA--C 1.538 0.506 0 N-CA-C 112.547 0.573 . . . . 10.0 112.547 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 366' ' ' PRO . . . . . 1.012 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 35.4 Cg_exo -58.37 -51.03 8.21 Favored 'Trans proline' 0 C--N 1.357 0.99 0 C-N-CA 121.846 1.697 . . . . 10.0 112.755 -179.356 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 367' ' ' ALA . . . . . 0.658 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -63.35 -44.53 94.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.562 -0.29 . . . . 10.0 111.373 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 368' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 368' ' ' LEU . 2.7 mt -61.57 -44.88 96.22 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 121.014 -0.274 . . . . 10.0 110.917 179.674 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -63.81 -39.36 94.06 Favored 'General case' 0 C--O 1.224 -0.245 0 N-CA-C 109.485 -0.561 . . . . 10.0 109.485 178.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -62.33 -48.11 81.27 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.591 -0.731 . . . . 10.0 109.605 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 371' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 367' ' ' ALA . 92.6 mt -64.73 -40.37 95.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.795 179.463 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 78.8 mtt180 -63.65 -49.69 72.24 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.698 179.282 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -64.84 -27.3 68.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.706 179.627 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -79.68 -42.07 11.95 Favored Glycine 0 N--CA 1.444 -0.774 0 C-N-CA 120.783 -0.722 . . . . 10.0 112.005 179.214 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 375' ' ' LEU . . . . . 0.465 ' O ' ' HG ' ' A' ' 379' ' ' LEU . 51.7 mt -76.57 -28.46 56.24 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.752 0.649 . . . . 10.0 112.752 -179.498 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 19.0 mt -49.69 -57.94 10.7 Favored Pre-proline 0 CA--C 1.537 0.457 0 N-CA-C 112.876 0.695 . . . . 10.0 112.876 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.72 -22.41 50.12 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 121.898 1.732 . . . . 10.0 111.318 179.387 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 76.7 t -72.31 -40.03 64.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 108.535 -0.913 . . . . 10.0 108.535 178.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 379' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 375' ' ' LEU . 72.5 mt -64.66 -36.89 85.71 Favored 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 108.816 -0.809 . . . . 10.0 108.816 178.104 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -63.85 -49.15 73.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.619 -0.718 . . . . 10.0 110.123 178.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.37 -35.26 79.89 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.23 179.43 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.7 -39.4 91.35 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 115.926 -0.579 . . . . 10.0 109.693 178.527 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 383' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 379' ' ' LEU . 86.2 mttt -62.55 -34.55 77.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.98 -0.555 . . . . 10.0 109.513 178.677 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 87.1 t -67.36 -46.47 83.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.816 -0.629 . . . . 10.0 109.604 179.085 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.98 -41.5 95.37 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.923 0.392 . . . . 10.0 110.383 179.312 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 386' ' ' PHE . . . . . 0.435 ' O ' ' HG ' ' A' ' 390' ' ' LEU . 1.7 m-85 -60.34 -51.25 70.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.73 -0.668 . . . . 10.0 111.206 179.642 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 90.2 mt -60.27 -44.24 95.5 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.3 -0.409 . . . . 10.0 111.023 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 388' ' ' SER . . . . . 0.54 ' HB3' ' HE2' ' D' ' 594' ' ' LYS . 19.8 m -62.38 -44.26 96.87 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.892 -0.594 . . . . 10.0 110.448 179.489 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -63.79 -43.55 95.99 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.548 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 390' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 386' ' ' PHE . 70.4 mt -59.1 -43.0 91.83 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.509 -0.314 . . . . 10.0 110.471 179.33 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -62.98 -37.4 86.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.779 -0.646 . . . . 10.0 110.312 178.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 392' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 388' ' ' SER . 68.7 mm-40 -61.42 -40.7 95.4 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.464 179.173 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -64.86 -42.42 94.89 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.8 -0.636 . . . . 10.0 110.702 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 394' ' ' THR . . . . . 0.407 ' O ' ' HB3' ' A' ' 398' ' ' ASN . 1.1 m -70.73 -35.25 72.61 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.853 0.359 . . . . 10.0 110.467 179.565 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -71.18 -41.78 69.89 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.941 0.719 . . . . 10.0 112.941 -179.092 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 396' ' ' LYS . . . . . 0.621 ' HE2' ' HA ' ' D' ' 587' ' ' ALA . 13.7 mptt -93.15 -40.11 10.67 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 114.246 1.202 . . . . 10.0 114.246 -177.787 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 82.7 mt -83.45 -3.0 57.18 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.137 0.421 . . . . 10.0 112.137 -179.096 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 398' ' ' ASN . . . . . 0.407 ' HB3' ' O ' ' A' ' 394' ' ' THR . 30.3 t30 . . . . . 0 C--N 1.322 -0.617 0 CA-C-N 116.366 -0.379 . . . . 10.0 110.201 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 2.3 mm? . . . . . 0 CA--C 1.52 -0.186 0 CA-C-O 121.403 0.62 . . . . 10.0 110.106 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 4.5 mtpm? -122.53 17.62 10.45 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.247 -0.888 . . . . 10.0 109.516 179.368 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 71.8 mt -66.67 -40.9 88.79 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.409 -0.814 . . . . 10.0 110.148 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 84.5 mt -64.28 -35.34 80.52 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.652 -0.704 . . . . 10.0 109.841 178.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -64.63 -43.6 93.18 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.53 -0.759 . . . . 10.0 109.883 179.018 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 404' ' ' ASN . . . . . 0.434 ' O ' HG23 ' D' ' 408' ' ' VAL . 25.2 t-20 -70.86 -39.11 73.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.267 179.426 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -60.83 -37.37 81.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.975 -0.557 . . . . 10.0 111.159 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -61.61 -44.54 96.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.441 -0.345 . . . . 10.0 110.135 179.146 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.28 -42.01 85.61 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.972 -0.558 . . . . 10.0 109.972 178.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 408' ' ' VAL . . . . . 0.434 HG23 ' O ' ' D' ' 404' ' ' ASN . 46.3 t -65.43 -39.8 86.34 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 CA-C-N 115.91 -0.586 . . . . 10.0 109.75 179.061 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 27.4 m -62.97 -43.57 98.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.713 -0.676 . . . . 10.0 109.914 179.112 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 410' ' ' SER . . . . . 0.414 ' O ' ' HG2' ' D' ' 414' ' ' LYS . 7.6 m -62.39 -35.53 79.49 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 109.453 -0.573 . . . . 10.0 109.453 178.785 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 411' ' ' THR . . . . . 0.674 HG23 ' HE2' ' A' ' 363' ' ' LYS . 45.4 m -61.42 -45.34 94.72 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.574 -0.739 . . . . 10.0 109.688 178.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -68.03 -35.19 77.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.812 179.314 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 15.9 m -61.36 -46.44 90.22 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.608 -0.516 . . . . 10.0 109.608 179.123 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 414' ' ' LYS . . . . . 0.414 ' HG2' ' O ' ' D' ' 410' ' ' SER . 24.9 mmtt -66.09 -29.38 69.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.778 -0.647 . . . . 10.0 110.19 179.27 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 10.7 mt -70.25 -40.44 74.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.05 -0.523 . . . . 10.0 109.707 178.529 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 81.1 mtt180 -68.18 -32.8 73.31 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.815 -0.63 . . . . 10.0 110.375 179.283 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -67.05 -27.2 67.19 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.664 -0.698 . . . . 10.0 109.614 178.314 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -81.19 -49.43 10.82 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.391 -0.822 . . . . 10.0 109.075 178.158 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 81.6 mt -44.76 -42.91 8.13 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.18 -0.918 . . . . 10.0 112.387 -179.313 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -54.17 -79.27 0.09 OUTLIER Glycine 0 C--N 1.333 0.377 0 C-N-CA 121.118 -0.563 . . . . 10.0 112.569 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 421' ' ' PRO . . . . . 0.524 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 50.6 Cg_exo -55.56 -38.73 93.82 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.937 2.425 . . . . 10.0 112.433 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 20.7 t -58.77 -44.63 90.65 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 CA-C-N 116.586 -0.279 . . . . 10.0 111.692 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 33.9 p -73.64 -33.78 64.67 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.651 -0.42 . . . . 10.0 110.363 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -58.31 -51.83 68.16 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.424 -0.584 . . . . 10.0 109.424 178.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 425' ' ' GLU . . . . . 0.524 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 12.2 pt-20 -75.96 -26.04 56.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.884 -0.598 . . . . 10.0 111.051 179.65 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 426' ' ' PHE . . . . . 0.42 ' O ' ' HG ' ' D' ' 430' ' ' LEU . 46.2 t80 -65.95 -44.55 84.67 Favored 'General case' 0 CA--C 1.514 -0.412 0 N-CA-C 109.121 -0.696 . . . . 10.0 109.121 178.678 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 12.3 m0 -65.5 -38.83 90.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.465 -0.788 . . . . 10.0 109.498 178.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -65.86 -40.79 92.0 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.023 -0.732 . . . . 10.0 109.023 178.039 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 429' ' ' ASN . . . . . 0.483 ' OD1' ' HG2' ' A' ' 345' ' ' ARG . 4.8 t30 -62.69 -45.85 90.88 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.694 -0.854 . . . . 10.0 108.694 177.559 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 430' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' D' ' 426' ' ' PHE . 52.0 mt -58.3 -37.97 76.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.409 -0.814 . . . . 10.0 110.266 178.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -64.51 -42.22 95.93 Favored 'General case' 0 CA--C 1.523 -0.066 0 CA-C-N 116.561 -0.29 . . . . 10.0 110.432 178.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 36.0 mttp -64.35 -44.18 92.25 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 109.076 -0.713 . . . . 10.0 109.076 178.615 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 433' ' ' GLU . . . . . 0.567 ' O ' ' HG ' ' D' ' 437' ' ' LEU . 22.9 mt-10 -64.04 -55.35 22.87 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.393 -0.821 . . . . 10.0 110.887 179.683 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 16.9 p -57.15 -45.56 83.48 Favored 'General case' 0 C--O 1.226 -0.174 0 CA-C-N 116.339 -0.391 . . . . 10.0 111.674 -179.087 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -60.56 -46.92 88.4 Favored 'General case' 0 CA--C 1.519 -0.225 0 O-C-N 122.954 0.159 . . . . 10.0 110.691 179.067 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -60.66 -47.38 91.45 Favored Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 110.597 -1.001 . . . . 10.0 110.597 178.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 437' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' D' ' 433' ' ' GLU . 54.3 mt -63.71 -35.19 79.75 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-O 120.652 0.263 . . . . 10.0 110.546 179.301 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 42.3 mtt180 -62.96 -41.83 99.64 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.781 -0.451 . . . . 10.0 109.781 179.153 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -67.18 -37.45 83.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.065 -0.516 . . . . 10.0 109.966 178.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -67.76 -43.67 79.32 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.712 -0.676 . . . . 10.0 109.534 178.269 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 96.6 mmm -70.42 -35.28 73.32 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.254 -0.885 . . . . 10.0 113.172 -178.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 2.5 p -63.84 -48.89 74.97 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.529 -0.545 . . . . 10.0 109.529 179.286 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -64.13 -36.55 84.4 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.694 -0.684 . . . . 10.0 109.22 178.341 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -63.77 -56.18 17.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.138 -0.937 . . . . 10.0 110.391 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 445' ' ' LEU . . . . . 0.401 ' O ' ' HG3' ' D' ' 449' ' ' LYS . 79.6 mt -60.34 -46.32 90.35 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.299 0.481 . . . . 10.0 112.299 -179.113 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -60.91 -44.94 96.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.121 0.486 . . . . 10.0 110.637 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 447' ' ' GLU . . . . . 0.866 ' HB3' HH21 ' A' ' 330' ' ' ARG . 20.2 tt0 -72.01 -27.63 62.86 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.197 179.751 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 448' ' ' VAL . . . . . 0.411 HG23 HH22 ' A' ' 330' ' ' ARG . 2.0 t -61.9 -42.15 93.58 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.307 0 N-CA-C 108.895 -0.78 . . . . 10.0 108.895 178.47 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 449' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' D' ' 445' ' ' LEU . 78.3 mttt -65.36 -38.58 90.49 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.232 -0.655 . . . . 10.0 109.232 178.754 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -79.06 5.07 12.73 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.579 -0.737 . . . . 10.0 111.288 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 451' ' ' LYS . . . . . 0.562 ' O ' ' HB2' ' D' ' 455' ' ' TYR . 60.0 mttm -121.19 -48.84 2.2 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.588 179.602 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 96.7 t -63.94 -40.79 90.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.477 -0.329 . . . . 10.0 111.366 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -56.97 -59.3 12.99 Favored Pre-proline 0 CA--C 1.535 0.371 0 C-N-CA 120.895 -0.322 . . . . 10.0 111.478 179.519 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -67.28 -30.31 37.4 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 121.779 1.652 . . . . 10.0 111.796 178.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 455' ' ' TYR . . . . . 0.562 ' HB2' ' O ' ' D' ' 451' ' ' LYS . 3.6 t80 -68.78 -40.84 79.46 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-O 120.561 0.22 . . . . 10.0 110.579 179.419 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 456' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' D' ' 456' ' ' LEU . 17.5 mt -65.58 -40.65 92.99 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 109.025 -0.732 . . . . 10.0 109.025 178.569 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -65.24 -44.46 88.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.486 -0.779 . . . . 10.0 109.514 178.455 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -62.53 -45.74 91.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.691 -0.686 . . . . 10.0 110.257 179.087 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.72 -40.66 88.5 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.517 178.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 460' ' ' GLN . . . . . 0.489 ' HA ' ' HB2' ' D' ' 463' ' ' TRP . 52.3 mt-30 -64.8 -29.24 70.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.765 0.317 . . . . 10.0 110.202 178.686 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 461' ' ' LYS . . . . . 0.436 ' O ' ' HG3' ' D' ' 465' ' ' GLU . 40.7 mttt -65.14 -45.34 85.42 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 108.339 -0.986 . . . . 10.0 108.339 177.739 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 27.1 mtmm -71.74 -35.39 70.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.182 -0.917 . . . . 10.0 110.01 178.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 463' ' ' TRP . . . . . 0.489 ' HB2' ' HA ' ' D' ' 460' ' ' GLN . 13.1 m0 -63.65 -39.81 95.29 Favored 'General case' 0 CA--C 1.518 -0.254 0 N-CA-C 109.267 -0.642 . . . . 10.0 109.267 178.317 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -63.81 -44.22 93.93 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 108.953 -0.758 . . . . 10.0 108.953 178.332 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 465' ' ' GLU . . . . . 0.481 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 27.0 mt-10 -57.61 -52.29 66.02 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 108.751 -0.833 . . . . 10.0 108.751 177.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -55.61 -47.61 76.25 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 115.554 -0.748 . . . . 10.0 110.487 179.505 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 2.7 mtm -61.99 -46.91 87.18 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.378 -0.374 . . . . 10.0 111.125 179.697 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -65.69 -34.42 78.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.842 0.353 . . . . 10.0 110.088 179.239 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 469' ' ' LEU . . . . . 0.656 HD21 ' HG3' ' A' ' 308' ' ' ARG . 64.0 mt -68.08 -38.5 82.44 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 115.89 -0.595 . . . . 10.0 109.575 178.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 11.4 m-30 -63.33 -41.61 98.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.112 0.482 . . . . 10.0 110.105 178.7 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 471' ' ' ARG . . . . . 0.877 ' HA ' ' HG3' ' D' ' 475' ' ' GLU . 81.5 mtt180 -72.81 -13.84 61.39 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.74 179.284 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -116.99 24.71 11.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.391 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 473' ' ' LYS . . . . . 0.534 ' HB2' ' O ' ' D' ' 469' ' ' LEU . 3.2 mttp -153.79 -66.82 0.14 Allowed 'General case' 0 C--O 1.221 -0.41 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.071 179.309 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 99.7 t -58.82 -44.75 91.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.83 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 475' ' ' GLU . . . . . 0.877 ' HG3' ' HA ' ' D' ' 471' ' ' ARG . 10.9 mt-10 -60.99 -58.69 17.43 Favored Pre-proline 0 CA--C 1.535 0.366 0 N-CA-C 111.675 0.25 . . . . 10.0 111.675 179.152 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 476' ' ' PRO . . . . . 0.773 ' HD3' ' HB2' ' D' ' 475' ' ' GLU . 52.3 Cg_exo -56.62 -38.29 95.85 Favored 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 121.851 1.701 . . . . 10.0 110.951 178.309 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 477' ' ' LEU . . . . . 0.469 HD21 ' HG3' ' A' ' 297' ' ' LYS . 34.4 mt -67.47 -31.81 72.22 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 116.3 -0.409 . . . . 10.0 110.098 179.087 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 478' ' ' ARG . . . . . 0.403 ' O ' ' HB2' ' D' ' 482' ' ' GLN . 28.8 mtt180 -64.71 -38.82 92.28 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 109.61 -0.515 . . . . 10.0 109.61 178.743 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -70.61 -43.32 69.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.766 -0.652 . . . . 10.0 109.497 178.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -61.96 -46.17 90.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.639 -0.71 . . . . 10.0 109.584 178.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 57.3 mt -70.75 -27.53 64.01 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.85 179.33 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 482' ' ' GLN . . . . . 0.403 ' HB2' ' O ' ' D' ' 478' ' ' ARG . 0.9 OUTLIER -67.53 -42.87 82.06 Favored 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 107.884 -1.154 . . . . 10.0 107.884 178.22 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -66.87 -44.25 81.4 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 108.641 -0.874 . . . . 10.0 108.641 178.238 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -62.01 -36.43 92.88 Favored Glycine 0 N--CA 1.447 -0.601 0 N-CA-C 111.086 -0.806 . . . . 10.0 111.086 178.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -69.94 -36.32 75.2 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.931 -0.396 . . . . 10.0 109.931 178.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 69.7 mtt180 -66.46 -41.57 88.85 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 108.747 -0.834 . . . . 10.0 108.747 178.107 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -65.34 -45.62 83.5 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 108.623 -0.88 . . . . 10.0 108.623 178.248 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 488' ' ' LYS . . . . . 0.493 ' O ' ' HG ' ' D' ' 492' ' ' LEU . 87.2 tttt -59.03 -44.07 91.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.519 -0.764 . . . . 10.0 109.953 179.054 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 489' ' ' LEU . . . . . 0.418 ' O ' ' HG3' ' D' ' 493' ' ' GLN . 2.5 mt -63.54 -39.53 94.65 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.971 -0.559 . . . . 10.0 109.815 178.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 16.1 t-160 -64.1 -45.48 88.45 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 108.791 -0.818 . . . . 10.0 108.791 178.377 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -58.02 -45.19 87.3 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 108.942 -0.762 . . . . 10.0 108.942 178.035 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 492' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' D' ' 488' ' ' LYS . 92.6 mt -64.57 -39.73 94.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.546 -0.752 . . . . 10.0 111.38 179.319 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 493' ' ' GLN . . . . . 0.418 ' HG3' ' O ' ' D' ' 489' ' ' LEU . 87.9 mt-30 -57.72 -43.07 85.03 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.045 0.45 . . . . 10.0 110.578 179.559 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -76.86 14.2 0.89 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.471 -0.786 . . . . 10.0 111.505 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 495' ' ' LYS . . . . . 0.756 ' HE3' HD22 ' A' ' 279' ' ' LEU . 18.1 mttp -131.49 -46.15 0.98 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.209 178.731 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 496' ' ' LEU . . . . . 0.56 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 82.5 mt -64.28 -25.94 68.27 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.112 -0.495 . . . . 10.0 111.022 179.564 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 497' ' ' SER . . . . . 0.559 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 2.3 m -84.52 -65.46 0.22 Allowed Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 116.434 -0.348 . . . . 10.0 111.845 179.47 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 498' ' ' PRO . . . . . 0.559 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 24.9 Cg_endo -62.89 -56.83 0.51 Allowed 'Trans proline' 0 C--N 1.358 1.056 0 C-N-CA 121.658 1.572 . . . . 10.0 112.438 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 499' ' ' LEU . . . . . 0.422 ' HB2' ' O ' ' D' ' 495' ' ' LYS . 10.1 mt -69.21 -29.96 68.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.471 0.177 . . . . 10.0 110.78 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 500' ' ' GLY . . . . . 0.56 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -64.35 -51.5 51.99 Favored Glycine 0 N--CA 1.449 -0.462 0 N-CA-C 111.431 -0.668 . . . . 10.0 111.431 179.377 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -70.87 -30.67 67.11 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.999 -0.371 . . . . 10.0 109.999 178.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 502' ' ' GLU . . . . . 0.576 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 31.3 tt0 -64.78 -46.59 81.45 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.018 -0.537 . . . . 10.0 109.619 179.037 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 503' ' ' MET . . . . . 0.535 ' HA ' ' HD2' ' D' ' 506' ' ' ARG . 74.4 mmm -61.66 -38.12 86.59 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 116.22 -0.445 . . . . 10.0 109.884 179.045 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 504' ' ' ARG . . . . . 0.444 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 51.3 mtt180 -66.06 -37.06 84.88 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.146 178.802 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 505' ' ' ASP . . . . . 0.418 ' O ' ' HB2' ' D' ' 508' ' ' ARG . 18.7 t70 -69.93 -36.24 75.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.303 0.573 . . . . 10.0 109.634 178.78 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 506' ' ' ARG . . . . . 0.576 ' HG3' ' O ' ' D' ' 502' ' ' GLU . 65.3 mtt180 -63.3 -45.68 90.23 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 107.365 -1.346 . . . . 10.0 107.365 177.287 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -59.39 -37.69 78.61 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 115.23 -0.896 . . . . 10.0 109.749 179.021 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 508' ' ' ARG . . . . . 0.444 ' HG3' ' O ' ' D' ' 504' ' ' ARG . 70.6 mtt180 -59.42 -45.75 90.67 Favored 'General case' 0 C--O 1.224 -0.279 0 N-CA-C 108.722 -0.844 . . . . 10.0 108.722 178.075 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 509' ' ' ALA . . . . . 0.566 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -65.53 -34.97 79.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.826 -0.625 . . . . 10.0 110.547 179.669 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 510' ' ' HIS . . . . . 0.509 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 41.6 m-70 -68.37 -48.41 64.83 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.085 0.469 . . . . 10.0 109.77 178.781 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 511' ' ' VAL . . . . . 0.443 ' O ' ' HG3' ' D' ' 515' ' ' ARG . 75.7 t -65.31 -41.91 92.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.709 -0.678 . . . . 10.0 110.246 179.539 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 512' ' ' ASP . . . . . 0.491 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 20.8 t0 -61.26 -37.52 83.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.165 179.395 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 513' ' ' ALA . . . . . 0.595 ' HB2' ' NZ ' ' A' ' 264' ' ' LYS . . . -66.49 -46.59 75.77 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.197 -0.668 . . . . 10.0 109.197 178.364 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 514' ' ' LEU . . . . . 0.628 ' HA ' ' HB2' ' D' ' 517' ' ' HIS . 69.7 mt -58.18 -23.65 56.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.522 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 515' ' ' ARG . . . . . 0.491 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 78.9 mtt180 -67.75 -25.5 65.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.968 0.413 . . . . 10.0 110.088 178.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 2.5 m -112.23 -13.92 13.42 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.159 0.504 . . . . 10.0 110.058 179.239 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 517' ' ' HIS . . . . . 0.628 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 16.9 m170 -91.15 -56.76 3.03 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.928 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 59.1 mt -90.3 -49.71 6.38 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 113.363 0.875 . . . . 10.0 113.363 -177.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 519' ' ' ALA . . . . . 0.684 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -46.3 -60.11 4.06 Favored Pre-proline 0 N--CA 1.47 0.558 0 N-CA-C 113.715 1.006 . . . . 10.0 113.715 -178.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 520' ' ' PRO . . . . . 0.684 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 31.5 Cg_exo -62.97 -30.72 76.95 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.002 1.802 . . . . 10.0 111.338 179.195 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 521' ' ' TYR . . . . . 0.412 ' HB2' ' O ' ' D' ' 517' ' ' HIS . 9.9 t80 -64.83 -41.27 95.88 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.859 -0.609 . . . . 10.0 110.35 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 522' ' ' SER . . . . . 0.41 ' O ' ' HG3' ' D' ' 526' ' ' ARG . 0.0 OUTLIER -62.11 -37.3 84.58 Favored 'General case' 0 CA--C 1.52 -0.176 0 N-CA-C 109.938 -0.393 . . . . 10.0 109.938 178.753 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 523' ' ' ASP . . . . . 0.733 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 16.0 t70 -67.17 -37.82 84.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.22 0.533 . . . . 10.0 109.815 179.065 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -71.54 -35.17 70.56 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 108.662 -0.866 . . . . 10.0 108.662 178.116 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 525' ' ' LEU . . . . . 0.464 HD23 ' HD2' ' D' ' 528' ' ' ARG . 16.3 mt -64.19 -32.59 74.23 Favored 'General case' 0 C--O 1.22 -0.469 0 N-CA-C 108.784 -0.821 . . . . 10.0 108.784 178.078 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 526' ' ' ARG . . . . . 0.733 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 87.6 mtt180 -64.03 -37.19 86.52 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.274 -0.639 . . . . 10.0 109.274 178.423 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -67.43 -41.12 85.3 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.288 -0.634 . . . . 10.0 109.288 178.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 528' ' ' ARG . . . . . 0.595 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 93.7 mtt180 -67.23 -48.39 67.95 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.362 -0.835 . . . . 10.0 109.488 179.041 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 82.9 mt -62.7 -28.23 69.8 Favored 'General case' 0 C--O 1.222 -0.374 0 CA-C-N 115.835 -0.62 . . . . 10.0 110.592 179.106 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -65.68 -37.78 87.44 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.089 -0.708 . . . . 10.0 109.089 178.388 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -73.32 -39.62 65.13 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.754 -0.832 . . . . 10.0 108.754 178.469 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 7.7 ttm180 -62.37 -45.23 94.13 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.348 -0.842 . . . . 10.0 109.05 178.444 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 533' ' ' LEU . . . . . 0.411 ' O ' ' HG3' ' D' ' 537' ' ' LYS . 31.6 mt -64.15 -42.01 96.94 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.936 -0.574 . . . . 10.0 109.946 178.684 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -60.02 -43.08 95.51 Favored 'General case' 0 CA--C 1.522 -0.108 0 CA-C-N 116.096 -0.502 . . . . 10.0 109.975 179.224 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -65.13 -37.32 87.05 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 109.336 -0.616 . . . . 10.0 109.336 178.586 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 76.3 mt -71.97 -22.57 61.42 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.936 -0.574 . . . . 10.0 110.397 178.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 537' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' D' ' 533' ' ' LEU . 96.5 mttt -83.72 -37.89 22.11 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.757 -0.831 . . . . 10.0 108.757 178.372 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 22.3 tp10 -68.54 -57.81 5.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.368 -0.833 . . . . 10.0 109.518 178.7 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -67.67 -34.16 76.36 Favored 'General case' 0 CA--C 1.514 -0.425 0 N-CA-C 109.188 -0.671 . . . . 10.0 109.188 179.147 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -63.54 -48.82 74.44 Favored Glycine 0 N--CA 1.451 -0.351 0 CA-C-N 115.772 -0.649 . . . . 10.0 111.644 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -64.13 -42.97 97.84 Favored Glycine 0 N--CA 1.445 -0.708 0 N-CA-C 111.072 -0.811 . . . . 10.0 111.072 179.035 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -61.97 -49.88 74.34 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 110.04 -0.356 . . . . 10.0 110.04 178.629 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 60.7 mtt180 -60.81 -30.01 69.81 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-N 116.189 -0.459 . . . . 10.0 110.827 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 14.7 mt -64.32 -46.0 85.42 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.39 -0.596 . . . . 10.0 109.39 178.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -66.08 -44.24 85.02 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 109.351 -0.611 . . . . 10.0 109.351 179.461 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 546' ' ' GLU . . . . . 0.437 ' O ' ' HB2' ' D' ' 550' ' ' LYS . 67.7 mt-10 -59.86 -45.01 93.78 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-N 115.533 -0.758 . . . . 10.0 109.922 178.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -66.16 -40.7 90.71 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.923 179.322 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -62.02 -42.24 98.94 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 109.683 -0.488 . . . . 10.0 109.683 178.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -69.31 -47.36 64.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.616 -0.72 . . . . 10.0 109.288 178.609 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 550' ' ' LYS . . . . . 0.634 ' HD3' HG22 ' A' ' 224' ' ' VAL . 0.0 OUTLIER -59.58 -37.28 78.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.879 -0.6 . . . . 10.0 110.965 179.812 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -65.02 -42.29 94.55 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 116.117 -0.492 . . . . 10.0 109.866 179.09 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 5.8 m -69.56 -41.66 75.58 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.121 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 78.2 mt-10 -61.33 -47.4 86.07 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 108.928 -0.768 . . . . 10.0 108.928 178.022 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 554' ' ' HIS . . . . . 0.408 ' O ' ' HG ' ' D' ' 558' ' ' LEU . 32.4 t60 -62.87 -44.01 97.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.41 -0.814 . . . . 10.0 109.936 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 23.7 tp -61.21 -36.95 81.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.108 0.48 . . . . 10.0 109.723 179.261 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 44.0 m -65.8 -47.98 73.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.777 -0.647 . . . . 10.0 109.785 179.074 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 1.5 p -66.73 -31.21 71.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.79 0.329 . . . . 10.0 110.341 178.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 558' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' D' ' 554' ' ' HIS . 38.2 mt -66.49 -56.71 9.6 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.075 178.805 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 5.4 p -65.24 -31.19 72.23 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 116.512 -0.313 . . . . 10.0 111.556 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -62.72 -32.86 74.05 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.154 -0.475 . . . . 10.0 109.722 178.561 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 561' ' ' LYS . . . . . 0.522 ' HA ' ' HE3' ' D' ' 561' ' ' LYS . 0.0 OUTLIER -93.84 -36.59 12.17 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.342 179.829 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -55.03 -47.75 74.33 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.665 0.617 . . . . 10.0 112.665 -178.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 563' ' ' LYS . . . . . 0.523 ' O ' ' HG2' ' D' ' 567' ' ' GLU . 98.4 mttt -54.97 -63.74 2.67 Favored Pre-proline 0 CA--C 1.531 0.222 0 N-CA-C 112.383 0.512 . . . . 10.0 112.383 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 564' ' ' PRO . . . . . 0.439 ' O ' ' HB2' ' D' ' 568' ' ' ASP . 20.2 Cg_endo -62.49 -29.07 78.28 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 122.114 1.876 . . . . 10.0 112.465 179.674 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -70.91 -53.51 14.79 Favored 'General case' 0 C--O 1.222 -0.381 0 C-N-CA 121.127 -0.229 . . . . 10.0 110.799 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 62.8 mt -59.67 -43.26 94.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.756 -0.202 . . . . 10.0 110.964 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 567' ' ' GLU . . . . . 0.523 ' HG2' ' O ' ' D' ' 563' ' ' LYS . 62.0 mm-40 -62.45 -51.55 67.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.379 -0.373 . . . . 10.0 110.493 179.421 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 568' ' ' ASP . . . . . 0.439 ' HB2' ' O ' ' D' ' 564' ' ' PRO . 0.4 OUTLIER -65.32 -36.61 84.57 Favored 'General case' 0 CA--C 1.521 -0.14 0 CA-C-O 120.788 0.328 . . . . 10.0 111.492 -179.763 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 23.0 mt -62.02 -46.26 89.99 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.752 -0.462 . . . . 10.0 109.752 178.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 570' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' D' ' 570' ' ' ARG . 25.8 mtt85 -68.77 -43.63 75.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.352 -0.386 . . . . 10.0 110.237 179.208 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -64.12 -19.26 65.14 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.301 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -96.84 -33.12 6.2 Favored Glycine 0 N--CA 1.443 -0.834 0 N-CA-C 110.662 -0.975 . . . . 10.0 110.662 178.156 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 573' ' ' LEU . . . . . 0.582 ' HA ' HG12 ' D' ' 576' ' ' VAL . 11.1 mt -73.8 -41.12 62.82 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 122.344 0.258 . . . . 10.0 111.627 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 574' ' ' LEU . . . . . 0.464 ' HB2' ' HD3' ' D' ' 575' ' ' PRO . 96.1 mt -50.32 -60.18 5.77 Favored Pre-proline 0 CA--C 1.537 0.459 0 N-CA-C 112.455 0.539 . . . . 10.0 112.455 -179.735 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 575' ' ' PRO . . . . . 0.464 ' HD3' ' HB2' ' D' ' 574' ' ' LEU . 44.0 Cg_endo -70.45 -30.03 19.67 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 121.851 1.701 . . . . 10.0 112.342 179.751 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 576' ' ' VAL . . . . . 0.582 HG12 ' HA ' ' D' ' 573' ' ' LEU . 0.4 OUTLIER -70.04 -32.93 53.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 120.558 -0.457 . . . . 10.0 110.74 179.663 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 577' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' D' ' 573' ' ' LEU . 51.1 mt -65.43 -38.73 90.76 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 108.93 -0.767 . . . . 10.0 108.93 178.555 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 578' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' D' ' 574' ' ' LEU . 7.7 mm-40 -63.45 -42.97 98.66 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.948 -0.76 . . . . 10.0 108.948 178.609 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 51.1 m -64.76 -40.46 95.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.705 -0.679 . . . . 10.0 110.087 178.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -63.98 -40.69 96.95 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.101 -0.5 . . . . 10.0 109.818 178.69 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 581' ' ' LYS . . . . . 0.431 ' HG3' ' O ' ' D' ' 577' ' ' LEU . 95.7 mttt -56.95 -47.86 79.7 Favored 'General case' 0 C--O 1.225 -0.197 0 CA-C-N 115.866 -0.607 . . . . 10.0 109.89 179.128 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 60.5 t -59.34 -43.48 90.19 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.715 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 1.4 p -71.96 -27.48 62.81 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.088 0.47 . . . . 10.0 111.223 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 584' ' ' PHE . . . . . 0.433 ' O ' ' HG ' ' D' ' 588' ' ' LEU . 9.1 m-85 -79.58 -44.71 20.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.766 179.095 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 88.6 mt -60.51 -46.86 88.57 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.794 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 8.2 p -62.05 -34.81 76.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.232 0.539 . . . . 10.0 110.158 179.389 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 587' ' ' ALA . . . . . 0.621 ' HA ' ' HE2' ' A' ' 396' ' ' LYS . . . -68.61 -47.64 66.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.735 -0.666 . . . . 10.0 109.736 179.055 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 588' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' D' ' 584' ' ' PHE . 71.5 mt -57.76 -48.41 79.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 10.0 111.009 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -57.84 -50.11 74.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.832 -0.622 . . . . 10.0 111.422 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -68.64 -41.89 78.76 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.809 0.67 . . . . 10.0 112.809 -179.195 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -59.82 -40.07 87.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.778 0.323 . . . . 10.0 110.975 179.406 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 19.0 m -68.64 -29.58 68.1 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.096 0.474 . . . . 10.0 110.452 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -75.35 -36.93 60.9 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.087 0.47 . . . . 10.0 110.601 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 594' ' ' LYS . . . . . 0.54 ' HE2' ' HB3' ' A' ' 388' ' ' SER . 11.1 mptt -74.1 -32.11 63.08 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.836 -0.62 . . . . 10.0 111.176 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 95.8 mt -105.08 26.04 9.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.099 -0.501 . . . . 10.0 111.673 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 . . . . . 0 C--N 1.323 -0.577 0 CA-C-N 116.511 -0.313 . . . . 10.0 111.041 -179.954 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--O 1.233 0.202 0 CA-C-O 120.926 0.393 . . . . 10.0 110.512 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' THR . . . . . 0.448 ' HB ' ' CE2' ' B' ' 4' ' ' TYR . 0.0 OUTLIER -116.99 134.11 55.16 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.903 -0.59 . . . . 10.0 109.958 179.223 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -95.01 139.83 30.82 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.418 -0.355 . . . . 10.0 110.993 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' TYR . . . . . 0.448 ' CE2' ' HB ' ' B' ' 2' ' ' THR . 90.0 m-85 -133.94 113.99 12.79 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.288 -0.415 . . . . 10.0 110.74 179.439 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.777 ' HA ' ' HB3' ' B' ' 54' ' ' ASP . 45.8 mttm -79.72 115.46 19.34 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.648 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.517 ' O ' ' HA ' ' B' ' 55' ' ' ILE . 18.8 mt -112.75 111.79 22.82 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.796 -179.01 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 45.6 t -100.41 123.56 53.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 110.056 -0.35 . . . . 10.0 110.056 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.534 HG12 ' HD2' ' B' ' 16' ' ' LYS . 2.9 t -88.62 115.39 28.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.123 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 28.0 m -113.84 146.52 18.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.974 0.416 . . . . 10.0 111.316 -179.057 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.31 -163.05 34.23 Favored Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 110.818 -0.913 . . . . 10.0 110.818 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -94.74 -177.0 4.05 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.003 0.43 . . . . 10.0 110.984 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -97.29 136.78 37.28 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.022 0.439 . . . . 10.0 110.369 179.356 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 95.94 6.86 59.0 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.72 -0.752 . . . . 10.0 111.772 -179.241 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.433 ' CG2' ' HG3' ' B' ' 16' ' ' LYS . 33.9 m -89.97 -27.66 5.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.673 0.273 . . . . 10.0 111.654 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 15' ' ' GLY . . . . . 0.52 ' HA3' ' C8 ' ' B' ' 201' ' ' GSP . . . 110.06 22.8 6.38 Favored Glycine 0 CA--C 1.518 0.257 0 C-N-CA 120.321 -0.943 . . . . 10.0 114.383 179.101 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.534 ' HD2' HG12 ' B' ' 8' ' ' VAL . 5.8 mtmt -59.44 -33.43 71.26 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.084 0.469 . . . . 10.0 111.908 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 17' ' ' SER . . . . . 0.45 ' N ' ' O1A' ' B' ' 201' ' ' GSP . 17.4 m -79.97 -43.39 22.14 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.613 -0.514 . . . . 10.0 109.613 179.376 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.69 -46.7 83.97 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 115.834 -0.621 . . . . 10.0 111.124 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 69.1 mt -57.97 -45.45 86.69 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.102 0.477 . . . . 10.0 110.569 178.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 32.5 m -65.72 -44.22 86.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.439 -0.8 . . . . 10.0 111.578 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 87.7 mt -64.69 -39.35 85.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.333 -0.394 . . . . 10.0 110.607 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' GLN . . . . . 0.554 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 11.6 mm-40 -62.4 -27.47 69.11 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.925 -0.58 . . . . 10.0 111.295 179.612 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.418 HD22 ' CD2' ' B' ' 156' ' ' PHE . 14.2 tp -86.6 -17.6 33.51 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.9 0.381 . . . . 10.0 110.831 179.678 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 36.1 mm -97.44 -67.53 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 112.139 0.422 . . . . 10.0 112.139 -179.315 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -90.2 -11.13 41.95 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.892 0.331 . . . . 10.0 111.892 -178.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' ASN . . . . . 0.554 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 4.6 m-80 60.18 46.25 10.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.766 -0.652 . . . . 10.0 112.656 179.642 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -147.06 148.02 31.22 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 116.161 -0.472 . . . . 10.0 109.858 178.286 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -90.31 138.18 31.74 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.098 0.475 . . . . 10.0 111.687 -179.237 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 2.7 m -106.44 107.22 22.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.581 -0.736 . . . . 10.0 110.041 179.384 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -75.29 -25.42 57.91 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.141 -0.482 . . . . 10.0 110.534 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -79.07 130.07 35.12 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.177 -0.675 . . . . 10.0 109.177 179.094 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' TYR . . . . . 0.697 ' CE1' H5'2 ' B' ' 201' ' ' GSP . 1.6 t80 -90.27 115.73 27.71 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.355 0.598 . . . . 10.0 110.942 -179.596 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 33' ' ' ASP . . . . . 0.452 ' HA ' ' HD3' ' B' ' 34' ' ' PRO . 23.5 t70 -110.71 128.57 25.12 Favored Pre-proline 0 C--N 1.319 -0.736 0 CA-C-N 115.633 -0.712 . . . . 10.0 110.468 179.128 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 34' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' B' ' 33' ' ' ASP . 22.0 Cg_exo -66.55 85.14 0.29 Allowed 'Trans proline' 0 C--O 1.233 0.251 0 C-N-CA 122.677 2.251 . . . . 10.0 111.94 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.61 109.43 7.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.778 -0.646 . . . . 10.0 110.342 179.468 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.7 ' HA ' ' HB2' ' B' ' 59' ' ' ALA . 47.4 mm -85.44 -50.38 14.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.855 0.359 . . . . 10.0 110.532 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -160.79 106.22 1.42 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.004 -0.543 . . . . 10.0 110.53 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -144.6 134.08 23.28 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.285 -0.416 . . . . 10.0 109.911 179.706 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 6.1 p -116.26 162.94 16.73 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.379 -0.373 . . . . 10.0 111.168 -179.367 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -140.52 148.64 41.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.347 -179.676 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -117.79 133.13 56.25 Favored 'General case' 0 C--O 1.236 0.376 0 O-C-N 123.32 0.388 . . . . 10.0 110.243 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' LYS . . . . . 0.441 ' HE3' ' CG1' ' B' ' 44' ' ' VAL . 46.4 tttp -150.2 142.21 23.94 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 110.132 -0.322 . . . . 10.0 110.132 -179.03 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -117.86 120.88 39.24 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.834 -0.432 . . . . 10.0 109.834 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' VAL . . . . . 0.441 ' CG1' ' HE3' ' B' ' 42' ' ' LYS . 3.6 m -134.5 159.14 42.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.99 0.424 . . . . 10.0 112.094 -179.214 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 9.7 t -97.32 89.63 2.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 109.285 -0.635 . . . . 10.0 109.285 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 49.9 mt -89.19 119.58 36.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.597 -178.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' ASP . . . . . 0.704 ' HB3' ' HB2' ' C' ' 132' ' ' ASP . 9.3 m-20 68.66 -71.73 0.11 Allowed 'General case' 0 N--CA 1.468 0.471 0 O-C-N 123.84 0.712 . . . . 10.0 110.712 -179.65 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -164.16 15.42 0.1 Allowed Glycine 0 N--CA 1.449 -0.488 0 N-CA-C 110.569 -1.012 . . . . 10.0 110.569 178.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -128.98 134.61 48.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.806 0.336 . . . . 10.0 110.907 -179.384 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 18.1 m -81.08 108.91 15.15 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.995 -0.743 . . . . 10.0 108.995 178.118 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' CYS . . . . . 0.415 ' HB3' ' CD2' ' B' ' 4' ' ' TYR . 6.1 m -107.64 140.06 41.23 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.018 -0.537 . . . . 10.0 112.056 -178.499 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 36.3 tp -97.46 115.71 28.3 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.529 -0.915 . . . . 10.0 108.529 178.361 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 29.6 mt -82.7 120.36 25.49 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.912 -0.585 . . . . 10.0 112.257 -178.257 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' ASP . . . . . 0.777 ' HB3' ' HA ' ' B' ' 5' ' ' LYS . 16.2 t70 -108.97 63.88 0.61 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.727 -1.212 . . . . 10.0 107.727 178.17 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 55' ' ' ILE . . . . . 0.517 ' HA ' ' O ' ' B' ' 6' ' ' LEU . 42.3 mt -78.7 140.71 16.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 114.7 -1.136 . . . . 10.0 112.535 -177.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 11.3 tp -144.78 123.29 12.43 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.532 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -103.24 129.53 50.21 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.849 -0.426 . . . . 10.0 109.849 179.181 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' THR . . . . . 0.59 HG21 ' CE1' ' B' ' 71' ' ' TYR . 0.0 OUTLIER -109.76 162.07 14.81 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.615 -0.266 . . . . 10.0 110.601 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 59' ' ' ALA . . . . . 0.7 ' HB2' ' HA ' ' B' ' 36' ' ' ILE . . . -71.49 121.95 19.57 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.376 0.607 . . . . 10.0 112.043 -179.112 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -93.46 35.92 3.94 Favored Glycine 0 N--CA 1.449 -0.483 0 N-CA-C 110.781 -0.927 . . . . 10.0 110.781 178.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -96.68 11.06 36.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.555 -0.323 . . . . 10.0 111.182 -179.174 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 65.75 -172.49 0.19 Allowed 'General case' 0 N--CA 1.464 0.273 0 O-C-N 123.693 0.62 . . . . 10.0 112.19 -179.373 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 66.19 28.81 10.0 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.711 0.767 . . . . 10.0 110.184 -178.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 64' ' ' TYR . . . . . 0.483 ' HB3' ' HB3' ' B' ' 67' ' ' MET . 38.3 m-85 -130.72 37.75 3.78 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.337 -0.847 . . . . 10.0 110.13 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.71 -44.49 90.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.84 -0.618 . . . . 10.0 111.029 179.68 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.07 -38.27 61.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.106 0.479 . . . . 10.0 110.691 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 67' ' ' MET . . . . . 0.483 ' HB3' ' HB3' ' B' ' 64' ' ' TYR . 43.0 tpp -66.22 -33.84 76.67 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.67 179.592 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 68' ' ' ARG . . . . . 0.443 ' HA ' ' CZ ' ' B' ' 71' ' ' TYR . 1.5 tpp180 -57.1 -47.83 80.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.73 -0.668 . . . . 10.0 110.836 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.84 -21.06 65.66 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.666 -0.697 . . . . 10.0 112.383 -179.029 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -75.65 -67.25 0.69 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.925 0.713 . . . . 10.0 112.925 -178.523 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 71' ' ' TYR . . . . . 0.59 ' CE1' HG21 ' B' ' 58' ' ' THR . 18.7 p90 -67.62 -23.95 65.42 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 113.878 1.066 . . . . 10.0 113.878 -178.024 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 72' ' ' MET . . . . . 0.415 ' HG2' ' CE1' ' B' ' 78' ' ' PHE . 43.8 mtt -70.04 -25.49 63.59 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 111.79 0.293 . . . . 10.0 111.79 -179.552 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -71.2 -44.78 64.74 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.057 0.456 . . . . 10.0 110.939 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 4.1 m -79.02 -23.85 44.05 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.941 -0.572 . . . . 10.0 112.38 -179.111 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -63.26 133.57 42.5 Favored Glycine 0 CA--C 1.521 0.407 0 C-N-CA 121.326 -0.464 . . . . 10.0 113.619 -179.377 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -91.1 -54.18 4.05 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.869 -0.419 . . . . 10.0 109.869 179.421 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -118.18 142.74 17.25 Favored Glycine 0 N--CA 1.446 -0.684 0 N-CA-C 110.923 -0.871 . . . . 10.0 110.923 179.256 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 78' ' ' PHE . . . . . 0.592 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 95.4 m-85 -116.74 124.42 49.6 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.415 0.626 . . . . 10.0 112.052 -178.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.463 HD12 ' HB ' ' B' ' 112' ' ' VAL . 13.1 tp -97.85 110.37 22.95 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.617 -0.72 . . . . 10.0 109.74 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 80' ' ' CYS . . . . . 0.436 ' HB3' HD12 ' B' ' 93' ' ' ILE . 21.5 m -86.61 99.29 11.61 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.845 -0.428 . . . . 10.0 109.845 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 94.5 t -105.55 122.66 59.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 112.215 0.45 . . . . 10.0 112.215 -179.119 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 43.1 p90 -129.71 165.24 22.25 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.038 -0.727 . . . . 10.0 109.038 178.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.43 ' HB1' ' OD1' ' B' ' 85' ' ' ASN . . . -103.97 135.0 46.31 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 110.318 -0.253 . . . . 10.0 110.318 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 84' ' ' ILE . . . . . 0.591 HD13 ' HA ' ' B' ' 118' ' ' CYS . 16.3 pt -68.27 -14.05 17.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.886 0.374 . . . . 10.0 111.305 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 85' ' ' ASN . . . . . 0.43 ' OD1' ' HB1' ' B' ' 83' ' ' ALA . 22.3 p-10 -105.64 14.12 28.88 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.261 179.332 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -135.58 97.2 3.61 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.287 0.565 . . . . 10.0 110.784 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.36 -32.68 73.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.943 -0.571 . . . . 10.0 111.863 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 20.2 tptp -62.74 -44.91 94.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.338 -0.392 . . . . 10.0 110.73 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 89' ' ' SER . . . . . 0.473 ' O ' HG12 ' B' ' 93' ' ' ILE . 90.2 p -64.35 -35.02 79.52 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.838 0.352 . . . . 10.0 111.792 -179.36 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -63.2 -46.1 88.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.805 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -74.05 -33.67 63.79 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.034 -0.53 . . . . 10.0 111.136 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.91 -27.92 67.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.951 -0.568 . . . . 10.0 111.436 -179.45 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 93' ' ' ILE . . . . . 0.473 HG12 ' O ' ' B' ' 89' ' ' SER . 34.7 mm -59.43 -39.36 78.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.054 179.729 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -62.3 -41.61 98.66 Favored 'General case' 0 C--O 1.232 0.179 0 N-CA-C 109.964 -0.384 . . . . 10.0 109.964 179.63 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 70.8 m-70 -63.47 -40.14 96.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.872 -0.604 . . . . 10.0 110.195 179.156 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -65.26 -41.03 94.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.87 -0.604 . . . . 10.0 109.794 178.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -57.66 -46.89 83.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.729 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -66.09 -35.4 80.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.758 -0.656 . . . . 10.0 110.633 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 99' ' ' GLN . . . . . 0.441 ' O ' HG23 ' B' ' 103' ' ' VAL . 2.0 tp60 -64.72 -51.9 59.96 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.55 179.372 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 68.3 mt -55.82 -45.35 79.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-N 116.028 -0.533 . . . . 10.0 111.076 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 14.6 mtmt -60.92 -34.08 74.14 Favored 'General case' 0 CA--C 1.522 -0.113 0 CA-C-N 116.11 -0.496 . . . . 10.0 111.943 -179.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -78.77 -42.05 28.97 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.461 -0.336 . . . . 10.0 111.128 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 103' ' ' VAL . . . . . 0.441 HG23 ' O ' ' B' ' 99' ' ' GLN . 97.1 t -63.57 -51.99 63.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.504 -0.316 . . . . 10.0 111.538 -179.533 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -81.91 -23.06 36.45 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.437 0.532 . . . . 10.0 112.437 -178.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 25.0 t70 63.15 79.64 0.25 Allowed 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 116.066 -0.515 . . . . 10.0 110.654 -179.06 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 33.3 t -170.96 150.01 3.05 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.748 -0.66 . . . . 10.0 109.59 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -90.68 -23.96 20.59 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.592 0.711 . . . . 10.0 109.223 178.646 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.86 113.43 26.91 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.434 -0.803 . . . . 10.0 109.842 179.36 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 0.405 ' HA ' ' HD3' ' B' ' 110' ' ' PRO . 88.0 t -133.24 127.27 19.85 Favored Pre-proline 0 C--N 1.325 -0.461 0 N-CA-C 109.331 -0.618 . . . . 10.0 109.331 -179.492 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 110' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 20.5 Cg_exo -66.72 101.93 0.59 Allowed 'Trans proline' 0 C--O 1.236 0.406 0 C-N-CA 122.796 2.331 . . . . 10.0 111.613 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 111' ' ' MET . . . . . 0.592 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 43.6 mtm -132.49 155.43 48.59 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.811 -0.632 . . . . 10.0 111.095 -179.634 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 112' ' ' VAL . . . . . 0.463 ' HB ' HD12 ' B' ' 79' ' ' LEU . 77.5 t -136.39 128.68 45.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 108.839 -0.8 . . . . 10.0 108.839 179.203 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 15.2 tp -87.41 113.65 23.3 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.513 -0.551 . . . . 10.0 109.513 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 89.4 t -119.88 122.13 67.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-O 121.076 0.465 . . . . 10.0 111.82 -178.569 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -99.66 124.91 8.39 Favored Glycine 0 N--CA 1.442 -0.954 0 N-CA-C 109.552 -1.419 . . . . 10.0 109.552 178.176 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -105.85 164.18 12.14 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 117.071 0.435 . . . . 10.0 111.196 -179.299 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 117' ' ' LYS . . . . . 0.443 ' HB3' HD12 ' B' ' 120' ' ' LEU . 45.7 mttm 69.52 30.8 3.92 Favored 'General case' 0 N--CA 1.461 0.111 0 O-C-N 123.853 0.721 . . . . 10.0 111.762 179.364 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 118' ' ' CYS . . . . . 0.591 ' HA ' HD13 ' B' ' 84' ' ' ILE . 88.4 m -66.53 -19.92 65.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.326 -0.397 . . . . 10.0 111.663 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.03 -13.94 60.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.3 -0.409 . . . . 10.0 111.437 179.618 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 120' ' ' LEU . . . . . 0.443 HD12 ' HB3' ' B' ' 117' ' ' LYS . 63.0 mt -76.93 139.93 66.36 Favored Pre-proline 0 N--CA 1.454 -0.26 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.685 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_endo -80.24 164.11 22.04 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 122.666 2.244 . . . . 10.0 112.204 179.604 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 1.4 m 59.54 57.36 3.31 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.786 -0.643 . . . . 10.0 111.253 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 123' ' ' ARG . . . . . 0.54 ' HB3' HD12 ' B' ' 84' ' ' ILE . 6.7 ptp180 -62.64 131.57 49.43 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.894 -0.594 . . . . 10.0 111.73 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 1.8 m -82.66 -40.99 19.95 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.596 -0.729 . . . . 10.0 109.503 179.303 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 62.7 t -93.92 129.44 44.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.064 -0.516 . . . . 10.0 109.726 179.026 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 126' ' ' ASP . . . . . 0.445 ' O ' ' HG2' ' B' ' 129' ' ' GLN . 8.1 t70 -88.07 142.71 27.56 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.183 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 127' ' ' THR . . . . . 0.638 HG23 ' HE2' ' B' ' 141' ' ' PHE . 9.9 m -62.4 -39.31 92.83 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.279 -0.418 . . . . 10.0 111.499 -179.276 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -61.72 -44.66 96.49 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.18 0.437 . . . . 10.0 112.18 -178.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 129' ' ' GLN . . . . . 0.445 ' HG2' ' O ' ' B' ' 126' ' ' ASP . 5.3 pt20 -67.48 -29.75 69.27 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.586 -0.446 . . . . 10.0 111.091 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -74.72 -35.42 62.68 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.553 -0.536 . . . . 10.0 109.553 178.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -65.2 -42.05 93.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.453 179.097 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -62.55 -41.87 99.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.095 -0.502 . . . . 10.0 109.81 178.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 14.8 tp -64.32 -44.48 91.43 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.861 -0.609 . . . . 10.0 109.564 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.13 -38.85 92.79 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.303 178.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 8.0 ttm180 -64.11 -35.05 79.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.859 -0.609 . . . . 10.0 110.195 179.188 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 15.7 m -69.08 -36.63 77.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.719 -0.673 . . . . 10.0 110.717 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -79.09 -42.44 26.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.018 0.437 . . . . 10.0 110.26 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 107.67 -1.53 34.21 Favored Glycine 0 N--CA 1.449 -0.449 0 N-CA-C 110.702 -0.959 . . . . 10.0 110.702 -178.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 42.7 pt -90.28 160.16 40.39 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 115.341 -0.429 . . . . 10.0 111.293 -179.214 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -82.39 152.16 15.64 Favored 'Trans proline' 0 N--CA 1.46 -0.494 0 C-N-CA 123.028 2.485 . . . . 10.0 111.904 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 141' ' ' PHE . . . . . 0.638 ' HE2' HG23 ' B' ' 127' ' ' THR . 45.5 t80 -119.76 128.57 53.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.369 179.752 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 31.5 mt -129.47 132.17 66.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.466 -0.334 . . . . 10.0 111.363 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -96.88 124.66 40.92 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.051 -0.722 . . . . 10.0 109.051 178.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 27.0 p -142.81 176.01 9.38 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.617 0.599 . . . . 10.0 112.617 -178.246 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -149.19 119.79 7.47 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-N 114.911 -1.04 . . . . 10.0 108.888 178.433 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 146' ' ' ALA . . . . . 0.544 ' HB3' ' N7 ' ' B' ' 201' ' ' GSP . . . -65.74 -38.59 89.54 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.951 0.405 . . . . 10.0 110.55 -179.365 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 147' ' ' LYS . . . . . 0.468 ' HB3' ' HE2' ' B' ' 147' ' ' LYS . 17.9 ttpt -62.95 -31.52 72.63 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.619 -0.718 . . . . 10.0 112.001 -179.563 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.87 -14.1 30.24 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 112.938 0.718 . . . . 10.0 112.938 -178.553 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 149' ' ' ARG . . . . . 0.747 HH21 ' HB ' ' B' ' 152' ' ' VAL . 3.1 tpm_? 59.15 39.0 23.49 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 121.64 0.733 . . . . 10.0 110.335 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -124.69 131.01 53.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.899 -0.591 . . . . 10.0 111.616 -179.29 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 77.88 -16.37 6.98 Favored Glycine 0 C--N 1.333 0.373 0 CA-C-N 115.894 -0.593 . . . . 10.0 114.117 178.425 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 152' ' ' VAL . . . . . 0.747 ' HB ' HH21 ' B' ' 149' ' ' ARG . 45.2 t -60.93 -40.25 84.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 120.807 0.337 . . . . 10.0 111.769 -178.693 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -62.67 -39.57 94.35 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.596 -0.52 . . . . 10.0 109.596 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -70.1 -36.4 74.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.31 -0.859 . . . . 10.0 111.961 -178.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -56.57 -49.45 74.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.522 -0.308 . . . . 10.0 111.105 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 156' ' ' PHE . . . . . 0.418 ' CD2' HD22 ' B' ' 23' ' ' LEU . 72.1 m-85 -68.4 -38.8 81.62 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 116.123 -0.49 . . . . 10.0 110.344 179.532 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -58.34 -42.15 86.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.918 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 23.7 m -64.73 -41.61 95.82 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.725 -0.67 . . . . 10.0 111.62 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 159' ' ' LEU . . . . . 0.417 ' O ' HG13 ' B' ' 163' ' ' ILE . 36.0 tp -60.1 -42.56 94.93 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.928 0.394 . . . . 10.0 110.961 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 96.7 t -65.39 -40.47 88.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.209 0.528 . . . . 10.0 110.483 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 11.3 ttp180 -65.56 -33.61 76.32 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.653 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -65.84 -35.81 81.71 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.496 179.315 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 163' ' ' ILE . . . . . 0.417 HG13 ' O ' ' B' ' 159' ' ' LEU . 58.0 mt -65.94 -35.52 75.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.086 0.469 . . . . 10.0 110.058 178.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 14.7 mtt85 -67.75 -32.97 73.93 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.326 -0.62 . . . . 10.0 109.326 178.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 18.2 ttmt -69.22 -40.59 77.88 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 108.787 -0.82 . . . . 10.0 108.787 178.355 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -61.96 -47.86 82.95 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.342 -0.844 . . . . 10.0 110.641 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -79.44 24.08 0.37 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.919 0.711 . . . . 10.0 112.919 -178.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -141.2 -55.08 0.48 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.924 0.392 . . . . 10.0 110.311 179.118 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 32.7 mtpt -71.14 -22.26 62.09 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.384 -179.423 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 7.0 ttt -85.74 -9.52 57.0 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.363 0.602 . . . . 10.0 110.292 179.179 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 171' ' ' SER . . . . . 0.617 ' HB3' ' HB2' ' B' ' 180' ' ' LYS . 4.5 m -86.86 11.38 13.49 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.363 0.601 . . . . 10.0 110.171 179.567 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 32.2 mtpt -140.26 -43.28 0.41 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.215 -0.902 . . . . 10.0 109.403 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 173' ' ' ASP . . . . . . . . . . . . 0.357 3.3 p30 43.46 -104.51 0.07 Allowed 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 114.338 1.236 . . . . 10.0 114.338 -179.176 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 174' ' ' GLY . . . . . 0.491 ' O ' ' HD2' ' C' ' 176' ' ' LYS . . . -129.87 33.67 2.91 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.754 -0.736 . . . . 10.0 111.869 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 175' ' ' LYS . . . . . 0.422 ' C ' ' H ' ' B' ' 177' ' ' LYS . 44.1 tptt 71.89 165.55 0.29 Allowed 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 122.905 0.482 . . . . 10.0 110.776 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 176' ' ' LYS . . . . . 0.901 ' NZ ' H331 ' C' ' 211' ' ' PCW . 24.3 tttm 78.12 -25.5 0.19 Allowed 'General case' 0 C--O 1.234 0.265 0 C-N-CA 122.935 0.494 . . . . 10.0 110.733 -179.487 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 177' ' ' LYS . . . . . 0.422 ' H ' ' C ' ' B' ' 175' ' ' LYS . 4.9 ttpm? -130.99 170.02 15.04 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 108.792 -0.818 . . . . 10.0 108.792 178.493 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 41.3 pttt -176.82 111.59 0.09 Allowed 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.776 -0.453 . . . . 10.0 109.776 -179.472 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 179' ' ' LYS . . . . . 0.519 ' HA ' ' HD2' ' B' ' 179' ' ' LYS . 17.5 tptt -91.12 85.72 5.99 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.197 -0.601 . . . . 10.0 111.267 179.545 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 180' ' ' LYS . . . . . 0.617 ' HB2' ' HB3' ' B' ' 171' ' ' SER . 31.7 tptt -169.79 151.85 4.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.499 -0.773 . . . . 10.0 109.96 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 1.4 m -92.48 -135.98 0.16 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.499 -0.319 . . . . 10.0 111.097 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp 70.42 86.5 0.12 Allowed 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.088 0.555 . . . . 10.0 112.074 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 6.4 t -97.06 163.03 13.11 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.951 -0.568 . . . . 10.0 111.353 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 184' ' ' LYS . . . . . 0.411 ' HB3' ' HE3' ' B' ' 184' ' ' LYS . 23.9 ttpp . . . . . 0 C--N 1.328 -0.358 0 CA-C-O 121.357 0.598 . . . . 10.0 111.741 -179.112 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 CA--C 1.529 0.172 0 CA-C-O 120.732 0.301 . . . . 10.0 110.892 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 2' ' ' THR . . . . . 0.484 ' HB ' ' CE2' ' C' ' 4' ' ' TYR . 0.0 OUTLIER -76.63 126.74 31.51 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 116.577 -0.283 . . . . 10.0 110.296 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -90.09 135.13 33.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.773 0.32 . . . . 10.0 111.013 -179.202 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 4' ' ' TYR . . . . . 0.484 ' CE2' ' HB ' ' C' ' 2' ' ' THR . 99.1 m-85 -131.43 114.74 15.32 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.132 -0.485 . . . . 10.0 109.826 179.398 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 58.5 mttm -85.39 112.23 20.65 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.907 0.384 . . . . 10.0 110.915 -179.354 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 6' ' ' LEU . . . . . 0.477 ' O ' ' HA ' ' C' ' 55' ' ' ILE . 13.7 mt -116.6 129.87 56.41 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.979 -178.826 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 39.3 t -120.33 130.0 74.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.346 -0.388 . . . . 10.0 110.456 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.685 HG12 ' HD2' ' C' ' 16' ' ' LYS . 3.1 t -95.98 119.69 44.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 109.33 -0.619 . . . . 10.0 109.33 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 29.6 m -120.19 149.72 22.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.9 0.381 . . . . 10.0 111.136 -179.53 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 153.79 161.47 10.42 Favored Glycine 0 N--CA 1.448 -0.539 0 CA-C-N 115.703 -0.68 . . . . 10.0 111.759 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.52 155.16 22.73 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.015 0.436 . . . . 10.0 111.002 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.17 144.08 40.74 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.905 0.383 . . . . 10.0 110.803 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 97.88 -22.82 38.83 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.458 -0.877 . . . . 10.0 112.835 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 14' ' ' VAL . . . . . 0.455 HG11 ' HB3' ' C' ' 89' ' ' SER . 3.4 m -76.95 -17.43 14.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.78 0.29 . . . . 10.0 111.75 -179.284 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 15' ' ' GLY . . . . . 0.439 ' O ' ' HG2' ' C' ' 16' ' ' LYS . . . 98.64 118.97 4.05 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.416 -0.897 . . . . 10.0 112.378 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 16' ' ' LYS . . . . . 0.685 ' HD2' HG12 ' C' ' 8' ' ' VAL . 17.7 mtmm -151.81 -49.47 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.232 0.539 . . . . 10.0 109.832 -179.437 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 17' ' ' SER . . . . . 0.465 ' N ' ' O1A' ' C' ' 201' ' ' GSP . 0.1 OUTLIER -68.08 -43.97 77.35 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 115.71 -0.677 . . . . 10.0 110.034 179.616 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.44 -41.76 85.81 Favored 'General case' 0 CA--C 1.528 0.103 0 CA-C-N 116.222 -0.445 . . . . 10.0 110.793 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 78.6 mt -57.6 -46.65 83.8 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 121.28 0.562 . . . . 10.0 110.34 178.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 5.3 m -70.36 -43.51 70.03 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.458 -0.792 . . . . 10.0 111.024 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 92.5 mt -62.04 -31.72 52.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.276 -0.42 . . . . 10.0 111.056 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 22' ' ' GLN . . . . . 0.573 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 4.1 mm-40 -63.87 -17.49 63.22 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.165 0.431 . . . . 10.0 112.165 179.563 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.779 ' HG ' ' HE2' ' C' ' 42' ' ' LYS . 17.6 tp -104.97 -30.06 10.05 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.22 -0.445 . . . . 10.0 110.216 179.044 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 24' ' ' ILE . . . . . 0.403 HD13 ' HD2' ' C' ' 42' ' ' LYS . 41.6 mm -80.29 -66.02 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.068 -0.515 . . . . 10.0 110.914 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 25' ' ' GLN . . . . . 0.42 ' HB2' ' HD2' ' C' ' 27' ' ' HIS . 75.9 mt-30 -91.34 -10.65 40.51 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.198 -0.455 . . . . 10.0 110.495 -179.558 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 26' ' ' ASN . . . . . 0.573 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 56.2 m-80 60.05 51.56 5.72 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.099 -0.955 . . . . 10.0 113.415 178.223 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 27' ' ' HIS . . . . . 0.42 ' HD2' ' HB2' ' C' ' 25' ' ' GLN . 3.2 p80 -156.25 155.18 31.91 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.755 -0.202 . . . . 10.0 111.345 178.768 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -94.39 119.43 33.12 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.976 0.417 . . . . 10.0 111.871 -179.178 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 44.2 t -92.71 99.69 10.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.596 -0.729 . . . . 10.0 109.47 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -77.19 -28.19 53.88 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.061 -0.518 . . . . 10.0 111.794 -179.364 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -76.41 106.62 8.14 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.352 -0.385 . . . . 10.0 110.422 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 32' ' ' TYR . . . . . 0.54 ' CD1' H5'2 ' C' ' 201' ' ' GSP . 86.5 t80 -58.85 119.43 7.17 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.101 0.477 . . . . 10.0 111.629 -179.455 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 33' ' ' ASP . . . . . 0.446 ' O ' ' S1G' ' C' ' 201' ' ' GSP . 36.2 t70 -131.81 111.54 14.73 Favored Pre-proline 0 C--N 1.32 -0.696 0 CA-C-N 115.824 -0.625 . . . . 10.0 109.944 178.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -48.51 137.71 25.32 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 123.352 2.701 . . . . 10.0 112.699 -179.362 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.64 95.15 3.42 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.718 -0.673 . . . . 10.0 110.326 -179.659 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 36' ' ' ILE . . . . . 0.702 ' HA ' ' HB2' ' C' ' 59' ' ' ALA . 4.5 tt -75.68 -37.63 36.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.898 -0.592 . . . . 10.0 111.501 -179.521 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -155.4 114.42 3.57 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.253 -0.43 . . . . 10.0 110.31 -179.19 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -158.73 125.37 4.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.501 -0.318 . . . . 10.0 110.241 179.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 1.3 p -119.83 137.33 54.05 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.014 0.435 . . . . 10.0 111.407 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -118.32 143.87 46.28 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.0 -0.546 . . . . 10.0 109.852 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -117.81 132.31 56.46 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.459 -0.337 . . . . 10.0 110.336 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 42' ' ' LYS . . . . . 0.779 ' HE2' ' HG ' ' C' ' 23' ' ' LEU . 59.0 tttp -146.7 135.87 22.62 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.758 -179.378 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 43' ' ' GLN . . . . . 0.465 ' HG2' HG22 ' C' ' 50' ' ' THR . 11.6 tt0 -108.89 118.39 36.66 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.28 -0.637 . . . . 10.0 109.28 179.44 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 15.1 m -133.98 162.68 38.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.915 0.388 . . . . 10.0 111.777 -179.053 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 84.8 t -93.61 112.35 26.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.246 -0.434 . . . . 10.0 110.119 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 46' ' ' ILE . . . . . 0.438 HG23 ' HD2' ' C' ' 157' ' ' TYR . 71.9 mt -124.99 124.1 66.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 109.708 -0.478 . . . . 10.0 109.708 179.616 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 63.68 25.74 14.33 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 123.581 0.551 . . . . 10.0 111.453 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 79.28 22.38 65.33 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.886 -0.673 . . . . 10.0 112.142 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -136.81 130.33 31.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.472 0.177 . . . . 10.0 110.642 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 50' ' ' THR . . . . . 0.465 HG22 ' HG2' ' C' ' 43' ' ' GLN . 0.4 OUTLIER -70.27 117.23 11.57 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.406 -0.59 . . . . 10.0 109.406 178.749 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 4.4 m -113.43 135.66 53.64 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.503 -0.317 . . . . 10.0 111.555 -178.484 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 63.3 tp -98.37 104.13 16.14 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 107.513 -1.291 . . . . 10.0 107.513 178.113 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 53' ' ' LEU . . . . . 0.402 HD22 HD11 ' C' ' 6' ' ' LEU . 52.3 mt -91.3 126.8 36.49 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 113.023 0.749 . . . . 10.0 113.023 -177.743 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -107.91 93.93 4.8 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 107.021 -1.474 . . . . 10.0 107.021 177.578 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 55' ' ' ILE . . . . . 0.477 ' HA ' ' O ' ' C' ' 6' ' ' LEU . 1.8 mp -100.47 129.65 50.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.315 -0.402 . . . . 10.0 111.796 -177.552 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 8.9 tp -122.44 128.16 50.55 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.82 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 57' ' ' ASP . . . . . 0.412 ' OD1' ' HE2' ' C' ' 16' ' ' LYS . 18.3 t0 -96.73 132.73 42.12 Favored 'General case' 0 CA--C 1.519 -0.227 0 N-CA-C 108.761 -0.829 . . . . 10.0 108.761 178.139 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 30.4 p -111.09 154.44 24.25 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.905 0.383 . . . . 10.0 110.518 -179.438 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 59' ' ' ALA . . . . . 0.702 ' HB2' ' HA ' ' C' ' 36' ' ' ILE . . . -78.6 130.5 35.99 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.104 0.478 . . . . 10.0 110.637 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -92.0 27.04 10.72 Favored Glycine 0 N--CA 1.447 -0.603 0 N-CA-C 111.138 -0.785 . . . . 10.0 111.138 179.278 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -77.02 -7.96 56.58 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 122.426 0.29 . . . . 10.0 111.043 -179.495 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 62' ' ' GLU . . . . . 0.452 ' CD ' HH12 ' C' ' 68' ' ' ARG . 16.6 mm-40 67.98 -170.17 0.19 Allowed 'General case' 0 C--O 1.234 0.265 0 O-C-N 123.782 0.676 . . . . 10.0 110.677 -178.304 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 63.16 39.82 9.47 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-O 121.374 0.607 . . . . 10.0 110.348 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 64' ' ' TYR . . . . . 0.444 ' HB3' ' HB3' ' C' ' 67' ' ' MET . 37.7 m-85 -128.79 45.05 2.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.371 -0.831 . . . . 10.0 108.838 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -52.69 -39.01 61.54 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.889 -1.051 . . . . 10.0 113.075 -178.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -97.69 -35.34 10.6 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.211 0.448 . . . . 10.0 112.211 -179.413 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 67' ' ' MET . . . . . 0.444 ' HB3' ' HB3' ' C' ' 64' ' ' TYR . 23.3 ttt -60.74 -34.07 73.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.402 -0.363 . . . . 10.0 111.341 -179.278 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 68' ' ' ARG . . . . . 0.549 ' HG2' ' HE3' ' C' ' 72' ' ' MET . 3.1 tpp180 -59.91 -45.85 91.24 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.886 0.374 . . . . 10.0 111.439 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -56.55 -35.38 68.07 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.565 -0.743 . . . . 10.0 112.192 -179.097 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -59.09 -57.1 14.55 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 112.471 0.545 . . . . 10.0 112.471 -179.189 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 71' ' ' TYR . . . . . 0.529 ' CZ ' ' HA ' ' C' ' 68' ' ' ARG . 14.5 p90 -78.34 -27.98 47.14 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 113.231 0.826 . . . . 10.0 113.231 -178.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 72' ' ' MET . . . . . 0.549 ' HE3' ' HG2' ' C' ' 68' ' ' ARG . 47.7 mtt -65.8 -27.65 68.42 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.41 0.624 . . . . 10.0 111.022 179.326 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 73' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' C' ' 73' ' ' ARG . 6.4 ttm180 -81.58 -16.84 50.36 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.709 -0.678 . . . . 10.0 110.646 179.45 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 13.5 m -98.11 -48.53 5.08 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.475 0.546 . . . . 10.0 112.475 -179.162 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -62.17 149.9 47.13 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 121.233 -0.508 . . . . 10.0 113.954 -179.038 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -102.86 -55.23 2.47 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.818 -0.438 . . . . 10.0 109.818 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -106.17 123.05 7.3 Favored Glycine 0 N--CA 1.443 -0.874 0 N-CA-C 111.109 -0.796 . . . . 10.0 111.109 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 78' ' ' PHE . . . . . 0.471 ' HB2' ' HG2' ' C' ' 111' ' ' MET . 93.0 m-85 -107.16 130.71 54.67 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.135 0.493 . . . . 10.0 111.291 -179.147 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 79' ' ' LEU . . . . . 0.48 HD12 ' HB ' ' C' ' 112' ' ' VAL . 7.2 tp -99.69 113.49 25.99 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.256 179.698 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 80' ' ' CYS . . . . . 0.584 ' HB3' HD12 ' C' ' 93' ' ' ILE . 3.7 m -88.73 103.89 16.38 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.076 -0.511 . . . . 10.0 109.661 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 18.8 t -106.3 137.4 36.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.292 0.567 . . . . 10.0 111.751 -178.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -143.55 160.57 40.38 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.528 -0.76 . . . . 10.0 108.95 178.532 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 83' ' ' ALA . . . . . 0.519 ' HB3' ' HB3' ' C' ' 86' ' ' ASN . . . -96.31 134.17 39.77 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.889 -0.325 . . . . 10.0 110.129 179.607 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 84' ' ' ILE . . . . . 0.62 HD13 ' HA ' ' C' ' 118' ' ' CYS . 18.8 pt -60.86 -22.05 25.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 112.267 0.469 . . . . 10.0 112.267 -179.434 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -108.47 23.83 13.94 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.254 0.55 . . . . 10.0 110.716 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 86' ' ' ASN . . . . . 0.519 ' HB3' ' HB3' ' C' ' 83' ' ' ALA . 40.9 t-20 -139.76 96.29 3.05 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.78 -0.645 . . . . 10.0 110.012 179.442 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 4.8 m -64.96 -32.45 74.18 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.844 -0.616 . . . . 10.0 111.446 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 88' ' ' LYS . . . . . 0.443 ' HB3' ' OD1' ' C' ' 86' ' ' ASN . 19.9 tptp -56.49 -48.38 77.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.259 -0.428 . . . . 10.0 110.721 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 89' ' ' SER . . . . . 0.455 ' HB3' HG11 ' C' ' 14' ' ' VAL . 56.9 p -64.25 -31.52 72.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.869 -0.605 . . . . 10.0 111.53 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -68.68 -42.75 77.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.999 0.428 . . . . 10.0 110.251 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -65.94 -36.36 83.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.769 -0.65 . . . . 10.0 110.392 179.165 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.19 -25.92 68.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.481 -0.781 . . . . 10.0 112.079 -179.592 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 93' ' ' ILE . . . . . 0.584 HD12 ' HB3' ' C' ' 80' ' ' CYS . 40.8 mm -55.19 -42.75 67.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 O-C-N 123.257 0.348 . . . . 10.0 110.702 179.64 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -60.58 -49.84 75.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.217 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -60.22 -46.98 87.9 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.878 -0.601 . . . . 10.0 111.5 -179.204 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -60.89 -43.07 99.01 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.614 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 97' ' ' ARG . . . . . 0.518 ' NH1' ' HE2' ' C' ' 101' ' ' LYS . 15.1 ttt-85 -61.43 -47.41 85.87 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.249 -0.432 . . . . 10.0 111.05 -179.602 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 98' ' ' GLU . . . . . 0.515 ' HA ' ' HE3' ' C' ' 101' ' ' LYS . 26.9 mm-40 -64.0 -38.18 90.15 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.197 -0.456 . . . . 10.0 111.646 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -66.39 -43.28 86.27 Favored 'General case' 0 C--N 1.331 -0.198 0 O-C-N 123.151 0.282 . . . . 10.0 110.765 179.358 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 84.6 mt -56.44 -46.14 82.02 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 CA-C-O 121.065 0.46 . . . . 10.0 109.883 179.258 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 101' ' ' LYS . . . . . 0.518 ' HE2' ' NH1' ' C' ' 97' ' ' ARG . 5.0 mtmp? -66.26 -28.36 68.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.626 -0.715 . . . . 10.0 111.713 -179.56 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? -76.74 -40.05 49.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.17 0.51 . . . . 10.0 109.997 179.196 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 72.1 t -67.05 -47.57 81.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.067 -0.515 . . . . 10.0 111.038 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -80.31 -13.05 59.5 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.286 -0.416 . . . . 10.0 111.551 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 31.2 t0 58.58 45.56 16.01 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.763 -0.653 . . . . 10.0 111.123 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 7.4 t -148.9 154.52 39.56 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.815 -0.63 . . . . 10.0 110.085 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -98.03 -15.34 20.09 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.117 0.484 . . . . 10.0 110.431 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -106.9 96.41 6.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.758 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 109' ' ' VAL . . . . . 0.419 ' HA ' ' HD3' ' C' ' 110' ' ' PRO . 46.9 t -129.77 128.47 22.98 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 115.847 -0.615 . . . . 10.0 109.655 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 110' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' C' ' 109' ' ' VAL . 24.1 Cg_exo -64.97 112.4 2.01 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.741 2.294 . . . . 10.0 111.478 179.079 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 111' ' ' MET . . . . . 0.471 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 44.5 mtm -138.79 152.79 48.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.397 -179.645 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 112' ' ' VAL . . . . . 0.48 ' HB ' HD12 ' C' ' 79' ' ' LEU . 88.5 t -133.21 130.75 57.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.032 -0.531 . . . . 10.0 109.84 179.381 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 30.0 tp -90.0 122.47 33.04 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.586 -0.524 . . . . 10.0 109.586 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 93.0 t -125.75 129.97 72.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.041 0.448 . . . . 10.0 111.703 -178.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -102.83 107.72 3.15 Favored Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 110.228 -1.149 . . . . 10.0 110.228 178.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -87.42 162.19 17.44 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-O 120.841 0.353 . . . . 10.0 111.631 -178.665 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 117' ' ' LYS . . . . . 0.72 ' HE2' ' C4 ' ' C' ' 201' ' ' GSP . 86.0 mttt 64.4 34.81 10.11 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.42 -0.809 . . . . 10.0 111.726 179.391 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 118' ' ' CYS . . . . . 0.62 ' HA ' HD13 ' C' ' 84' ' ' ILE . 1.6 m -67.63 -8.9 38.45 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.277 -0.419 . . . . 10.0 112.074 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -91.32 5.06 50.72 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.499 -0.318 . . . . 10.0 110.819 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 33.2 mt -91.09 145.44 31.65 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 116.344 -0.389 . . . . 10.0 110.697 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -84.62 164.27 12.32 Favored 'Trans proline' 0 N--CA 1.46 -0.445 0 C-N-CA 122.617 2.212 . . . . 10.0 111.548 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 18.4 m 57.93 56.5 4.67 Favored 'General case' 0 C--O 1.233 0.199 0 O-C-N 123.828 0.705 . . . . 10.0 111.836 179.697 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 123' ' ' ARG . . . . . 0.607 ' HB3' HD12 ' C' ' 84' ' ' ILE . 5.7 ptp180 -68.73 141.1 55.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.821 -0.627 . . . . 10.0 110.822 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -93.27 -39.31 11.05 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.972 -179.513 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 46.7 t -94.73 129.43 44.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.929 0.395 . . . . 10.0 110.386 179.346 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -84.51 150.51 25.21 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.186 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 127' ' ' THR . . . . . 0.614 HG23 ' HE2' ' C' ' 141' ' ' PHE . 7.0 m -67.82 -35.21 78.21 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.602 -0.272 . . . . 10.0 111.024 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 128' ' ' LYS . . . . . 0.638 ' HB3' ' HA ' ' B' ' 47' ' ' ASP . 0.0 OUTLIER -58.99 -50.66 73.24 Favored 'General case' 0 C--O 1.227 -0.094 0 CA-C-N 116.352 -0.386 . . . . 10.0 111.494 -179.574 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -63.68 -35.85 81.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.732 0.301 . . . . 10.0 111.498 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.7 -39.4 84.38 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.052 0.453 . . . . 10.0 109.861 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -72.05 -44.03 63.99 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.924 -0.58 . . . . 10.0 111.115 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 132' ' ' ASP . . . . . 0.704 ' HB2' ' HB3' ' B' ' 47' ' ' ASP . 37.5 t70 -60.27 -39.71 87.78 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.655 179.647 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 26.8 tp -67.99 -44.3 76.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 10.0 109.96 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.79 -32.74 74.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.673 -0.694 . . . . 10.0 110.192 179.544 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -58.0 -48.58 79.61 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.552 -0.749 . . . . 10.0 110.633 179.379 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 13.1 m -73.29 -22.89 60.25 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.941 -0.572 . . . . 10.0 111.318 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 7.4 m-30 -80.14 -27.03 39.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.238 0.542 . . . . 10.0 109.827 179.124 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 85.03 19.29 59.5 Favored Glycine 0 C--N 1.32 -0.347 0 N-CA-C 111.275 -0.73 . . . . 10.0 111.275 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 39.2 pt -117.21 157.93 45.77 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 115.845 -0.178 . . . . 10.0 110.594 -179.34 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -85.7 159.62 10.61 Favored 'Trans proline' 0 N--CA 1.462 -0.344 0 C-N-CA 122.532 2.155 . . . . 10.0 112.411 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 141' ' ' PHE . . . . . 0.614 ' HE2' HG23 ' C' ' 127' ' ' THR . 47.7 t80 -125.25 132.14 53.0 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.148 -0.478 . . . . 10.0 109.769 179.387 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 19.6 mt -128.72 139.29 52.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.444 -0.343 . . . . 10.0 110.703 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -98.39 128.23 44.69 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.727 -0.842 . . . . 10.0 108.727 178.241 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 41.9 p -133.41 -177.28 4.46 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.717 0.77 . . . . 10.0 112.887 -178.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 5.6 t -167.94 116.31 0.75 Allowed 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 107.208 -1.404 . . . . 10.0 107.208 179.267 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 146' ' ' ALA . . . . . 0.433 ' N ' ' O6 ' ' C' ' 201' ' ' GSP . . . -72.18 -22.41 61.29 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.497 -0.557 . . . . 10.0 109.497 179.757 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -65.65 -43.65 88.78 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.389 -0.823 . . . . 10.0 111.29 179.492 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 12.6 p -100.83 -17.48 16.86 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.508 -0.315 . . . . 10.0 111.761 -179.257 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 149' ' ' ARG . . . . . 0.4 ' O ' ' HG3' ' C' ' 149' ' ' ARG . 0.5 OUTLIER 67.43 9.85 7.32 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-O 121.895 0.855 . . . . 10.0 110.751 -178.406 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -71.6 105.96 3.85 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.743 -1.117 . . . . 10.0 112.001 -178.628 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 86.79 4.22 82.68 Favored Glycine 0 CA--C 1.517 0.205 0 C-N-CA 120.933 -0.651 . . . . 10.0 114.188 178.473 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 72.2 t -62.32 -43.22 97.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 117.207 0.503 . . . . 10.0 111.432 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.66 -29.14 68.35 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.321 -0.4 . . . . 10.0 111.717 -179.354 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -58.34 -34.78 71.02 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.825 0.345 . . . . 10.0 110.925 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.75 -39.3 91.11 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.115 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -69.7 -45.52 68.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.275 179.561 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 157' ' ' TYR . . . . . 0.438 ' HD2' HG23 ' C' ' 46' ' ' ILE . 55.2 m-85 -58.29 -49.33 77.51 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.327 179.713 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 158' ' ' THR . . . . . 0.446 ' O ' ' HG2' ' C' ' 162' ' ' GLU . 43.4 m -66.52 -40.21 89.06 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.38 -0.827 . . . . 10.0 112.188 -179.495 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 16.8 tp -59.68 -42.93 94.02 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.976 0.417 . . . . 10.0 110.751 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 92.1 t -68.05 -36.43 75.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.043 178.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 28.2 ttp-105 -62.13 -37.47 85.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.715 -0.675 . . . . 10.0 110.822 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 162' ' ' GLU . . . . . 0.727 ' HA ' ' HE2' ' C' ' 165' ' ' LYS . 69.3 mm-40 -64.34 -45.14 89.15 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.189 -0.459 . . . . 10.0 110.311 179.207 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 65.6 mt -63.28 -39.87 86.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.126 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 164' ' ' ARG . . . . . 0.479 ' O ' ' HG3' ' C' ' 168' ' ' GLU . 46.1 mtt85 -60.8 -47.7 85.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.326 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 165' ' ' LYS . . . . . 0.727 ' HE2' ' HA ' ' C' ' 162' ' ' GLU . 44.2 mtmt -60.58 -38.02 83.24 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 120.971 0.415 . . . . 10.0 110.514 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -65.04 -23.67 67.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.365 -0.834 . . . . 10.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -110.26 17.29 21.07 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.184 -0.462 . . . . 10.0 111.321 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 168' ' ' GLU . . . . . 0.479 ' HG3' ' O ' ' C' ' 164' ' ' ARG . 23.5 mt-10 -125.32 -71.15 0.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.713 178.697 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -60.21 -33.61 72.48 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 121.099 0.476 . . . . 10.0 110.959 -179.612 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 87.3 mmm -82.06 -21.51 36.84 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.757 -0.656 . . . . 10.0 112.25 -178.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 43.0 m -73.19 -2.11 20.34 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.089 0.471 . . . . 10.0 112.132 -179.331 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 62.9 mtpt -95.61 23.95 5.68 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.196 -0.456 . . . . 10.0 109.846 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 173' ' ' ASP . . . . . 0.77 ' OD2' ' H52' ' C' ' 212' ' ' PCW 0.286 1.7 p30 50.39 -98.81 0.06 Allowed 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 114.103 1.149 . . . . 10.0 114.103 179.792 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 174' ' ' GLY . . . . . 0.475 ' O ' ' HA ' ' C' ' 178' ' ' LYS . . . 148.85 146.55 4.35 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.189 -1.005 . . . . 10.0 113.185 179.668 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 175' ' ' LYS . . . . . 0.781 ' HA ' ' H12' ' C' ' 212' ' ' PCW . 15.2 ptpt -78.92 -173.41 3.51 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.506 -0.347 . . . . 10.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 176' ' ' LYS . . . . . 0.491 ' HD2' ' O ' ' B' ' 174' ' ' GLY . 39.9 mtpt 73.25 -78.86 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 113.513 0.931 . . . . 10.0 113.513 178.587 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 177' ' ' LYS . . . . . 0.549 ' HG3' ' O8 ' ' B' ' 210' ' ' 17F . 8.4 ttmm -101.71 -15.54 16.96 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.024 0.379 . . . . 10.0 112.024 -178.002 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 178' ' ' LYS . . . . . 0.911 ' HE3' ' H31' ' C' ' 212' ' ' PCW . 56.0 mttt 64.91 103.95 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 121.255 0.55 . . . . 10.0 111.414 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 179' ' ' LYS . . . . . 0.464 ' HA ' ' HD3' ' C' ' 179' ' ' LYS . 47.1 mmtt -69.24 -56.7 6.81 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.238 0.458 . . . . 10.0 112.238 -179.505 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 180' ' ' LYS . . . . . . . . . . . . . 31.6 mmtm -143.48 120.88 11.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.012 0.434 . . . . 10.0 111.347 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.32 105.29 17.52 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.145 179.32 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 182' ' ' LYS . . . . . 0.508 ' HA ' ' O5 ' ' C' ' 214' ' ' 17F . 0.4 OUTLIER -113.28 132.38 55.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.442 -0.345 . . . . 10.0 110.194 -179.851 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 183' ' ' THR . . . . . 0.666 ' HA ' ' H52' ' C' ' 205' ' ' PCW . 2.8 t -54.62 125.77 21.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 123.666 0.604 . . . . 10.0 111.64 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 184' ' ' LYS . . . . . 0.905 ' H ' ' H62' ' C' ' 205' ' ' PCW . 82.8 mttt . . . . . 0 N--CA 1.465 0.319 0 CA-C-N 116.586 -0.279 . . . . 10.0 111.263 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 401' ' ' PCW . . . . . 1.042 H452 H271 ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 402' ' ' PCW . . . . . 1.057 H431 H251 ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 403' ' ' PCW . . . . . 1.155 H282 ' C23' ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 404' ' ' PCW . . . . . 1.157 H351 ' O31' ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 405' ' ' PCW . . . . . 1.093 ' H82' ' H5 ' ' B' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 406' ' ' PCW . . . . . 1.08 H471 ' H57' ' B' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 407' ' ' PCW . . . . . 1.076 H212 ' C17' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 408' ' ' PCW . . . . . 0.987 ' H32' H152 ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 409' ' ' PCW . . . . . 1.224 ' C19' H142 ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 410' ' ' PCW . . . . . 1.0 H372 H321 ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 411' ' ' PCW . . . . . 0.987 H152 ' H32' ' A' ' 408' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 412' ' ' PCW . . . . . 0.742 ' H12' ' H41' ' A' ' 412' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 413' ' ' PCW . . . . . 0.982 H341 H132 ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 414' ' ' PCW . . . . . 1.091 H371 ' H31' ' A' ' 414' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 415' ' ' 17F . . . . . 1.116 ' H50' H232 ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 416' ' ' 17F . . . . . 1.009 ' H73' H241 ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 417' ' ' PCW . . . . . 1.1 ' H19' H431 ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 418' ' ' PCW . . . . . 1.015 H221 H281 ' A' ' 405' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 419' ' ' PCW . . . . . 1.028 ' C40' H441 ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 420' ' ' PCW . . . . . 1.124 ' C37' H431 ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 421' ' ' PCW . . . . . 0.999 H372 H151 ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 422' ' ' 17F . . . . . 1.123 ' H6 ' ' C14' ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 601' ' ' PCW . . . . . 0.959 H421 H461 ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 602' ' ' PCW . . . . . 1.052 H221 H172 ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 603' ' ' PCW . . . . . 1.119 ' H41' ' H2 ' ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 604' ' ' PCW . . . . . 1.051 ' H2 ' ' H82' ' D' ' 606' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 605' ' ' PCW . . . . . 1.077 H211 H382 ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 606' ' ' PCW . . . . . 1.056 H172 H212 ' D' ' 606' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 607' ' ' PCW . . . . . 1.12 H431 H471 ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 608' ' ' PCW . . . . . 1.02 ' H42' H242 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 609' ' ' PCW . . . . . 1.01 H211 H372 ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 610' ' ' PCW . . . . . 0.943 ' H42' ' O8 ' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 611' ' ' PCW . . . . . 1.067 H212 H271 ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 612' ' ' PCW . . . . . 1.049 ' H63' H321 ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 613' ' ' PCW . . . . . 0.975 H432 ' H39' ' A' ' 418' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 614' ' ' PCW . . . . . 1.135 H283 ' H69' ' B' ' 209' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 615' ' ' PCW . . . . . 0.982 H461 H421 ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 616' ' ' PCW . . . . . 1.087 H262 ' H71' ' C' ' 214' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 617' ' ' PCW . . . . . 1.022 H441 H232 ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 618' ' ' PCW . . . . . 1.124 H431 ' C37' ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 619' ' ' PCW . . . . . 1.111 H381 H161 ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 620' ' ' PCW . . . . . 1.048 H442 H222 ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 621' ' ' PCW . . . . . 1.023 H121 ' H4A' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 622' ' ' PCW . . . . . 1.123 ' C14' ' H6 ' ' A' ' 422' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 623' ' ' PCW . . . . . 1.066 H362 ' C32' ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 624' ' ' PCW . . . . . 1.055 H242 ' C24' ' C' ' 217' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 625' ' ' PCW . . . . . 1.12 H471 H431 ' D' ' 607' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 626' ' ' PCW . . . . . 1.071 H431 H361 ' D' ' 607' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 627' ' ' PCW . . . . . 1.144 ' C20' H352 ' C' ' 217' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 628' ' ' 17F . . . . . 1.023 ' H57' H19A ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 629' ' ' 17F . . . . . 1.033 ' H76' H261 ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 630' ' ' 17F . . . . . 0.767 ' H57' H162 ' A' ' 421' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 631' ' ' 17F . . . . . 0.943 ' O8 ' ' H42' ' D' ' 610' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 632' ' ' 17F . . . . . 1.03 ' H31' H471 ' D' ' 606' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 201' ' ' GSP . . . . . 0.697 H5'2 ' CE1' ' B' ' 32' ' ' TYR . . . . . . . . 0 O4'--C1' 1.438 1.977 2 O4'-C1'-N19 112.927 4.727 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 202' ' ' ' MG' . . . . . 0.594 'MG ' ' O3G' ' B' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 203' ' ' PCW . . . . . 0.946 H281 H471 ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 204' ' ' PCW . . . . . 0.982 H231 H272 ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 205' ' ' PCW . . . . . 1.024 H262 H472 ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 206' ' ' PCW . . . . . 1.141 H411 ' H39' ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 207' ' ' PCW . . . . . 1.055 ' H41' ' H31' ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 208' ' ' PCW . . . . . 1.116 H232 ' H50' ' A' ' 415' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 209' ' ' 17F . . . . . 1.135 ' H69' H283 ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 210' ' ' 17F . . . . . 0.804 ' H40' ' H12' ' B' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 211' ' ' 17F . . . . . 1.093 ' H5 ' ' H82' ' A' ' 405' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 201' ' ' GSP . . . . . 0.766 ' O2A' ' S1G' ' C' ' 201' ' ' GSP . . . . . . . . 0 O4'--C1' 1.437 1.91 2 O4'-C1'-N19 113.098 4.898 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 202' ' ' ' MG' . . . . . 0.616 'MG ' ' O3G' ' C' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 203' ' ' PCW . . . . . 0.996 ' H52' ' O31' ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 204' ' ' PCW . . . . . 1.104 H241 H282 ' C' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 205' ' ' PCW . . . . . 1.036 H171 H252 ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 206' ' ' PCW . . . . . 1.119 H171 H222 ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 207' ' ' PCW . . . . . 1.119 H222 H171 ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 208' ' ' PCW . . . . . 1.043 H262 H432 ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 209' ' ' PCW . . . . . 1.141 ' H39' H411 ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 210' ' ' PCW . . . . . 1.104 H282 H241 ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 211' ' ' PCW . . . . . 1.033 ' H51' ' H12' ' C' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 212' ' ' PCW . . . . . 1.081 H371 H20A ' C' ' 215' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 213' ' ' 17F . . . . . 1.009 ' H33' H441 ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 214' ' ' 17F . . . . . 1.087 ' H71' H262 ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 215' ' ' 17F . . . . . 1.081 H20A H371 ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 216' ' ' PCW . . . . . 1.065 H262 ' H40' ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 217' ' ' PCW . . . . . 1.144 H352 ' C20' ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 218' ' ' 17F . . . . . 1.051 ' H68' ' C11' ' A' ' 422' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 219' ' ' 17F . . . . . 1.054 ' H34' H172 ' C' ' 217' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 44.4 mt . . . . . 0 CA--C 1.521 -0.138 0 CA-C-O 120.946 0.403 . . . . 10.0 110.454 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 5.3 tmtm? -64.15 -44.53 91.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.823 -0.626 . . . . 10.0 111.111 -179.27 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 43.4 mt -67.64 -36.77 81.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.517 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 33.4 mt -68.51 -44.85 73.75 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.997 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 205' ' ' ASP . . . . . 0.404 ' O ' ' HB3' ' A' ' 208' ' ' ASP . 11.7 t70 -70.69 -44.19 67.47 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.342 -0.39 . . . . 10.0 111.763 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.4 -34.38 76.61 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.761 0.315 . . . . 10.0 110.38 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 67.9 t90 -65.49 -35.61 81.4 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 109.352 -0.61 . . . . 10.0 109.352 178.367 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 208' ' ' ASP . . . . . 0.404 ' HB3' ' O ' ' A' ' 205' ' ' ASP . 16.9 t70 -61.33 -45.26 95.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.644 -0.707 . . . . 10.0 110.323 179.266 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.56 -45.79 92.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.115 0.484 . . . . 10.0 110.151 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 94.5 t -59.99 -44.5 94.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.546 -0.752 . . . . 10.0 110.283 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 26.2 m -63.1 -39.97 96.26 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.869 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 15.7 m -63.18 -42.0 99.3 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 109.866 -0.42 . . . . 10.0 109.866 178.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 213' ' ' THR . . . . . 0.843 ' HA ' ' HE2' ' D' ' 561' ' ' LYS . 20.9 m -61.49 -51.81 67.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.05 -0.523 . . . . 10.0 109.687 178.621 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 214' ' ' PHE . . . . . 0.521 ' HA ' HD12 ' A' ' 217' ' ' LEU . 6.8 m-85 -56.74 -40.42 75.73 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.085 -0.507 . . . . 10.0 111.427 179.556 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 215' ' ' SER . . . . . 0.491 ' O ' ' HG3' ' A' ' 219' ' ' GLU . 27.6 m -61.83 -50.09 73.66 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.356 -0.384 . . . . 10.0 110.617 179.496 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 19.3 mttt -62.97 -34.91 78.51 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-N 116.422 -0.354 . . . . 10.0 110.217 179.084 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 217' ' ' LEU . . . . . 0.619 HD11 H251 ' A' ' 405' ' ' PCW . 96.4 mt -64.12 -44.05 93.4 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-N 115.905 -0.588 . . . . 10.0 109.795 178.586 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 218' ' ' ARG . . . . . 0.424 ' HA ' HD12 ' A' ' 221' ' ' LEU . 6.1 mtp85 -64.94 -37.53 87.95 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.4 -0.364 . . . . 10.0 110.931 179.074 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 219' ' ' GLU . . . . . 0.491 ' HG3' ' O ' ' A' ' 215' ' ' SER . 46.1 mt-10 -64.13 -35.78 81.87 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.286 178.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -81.53 -32.68 32.18 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 116.066 -0.515 . . . . 10.0 109.972 178.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 221' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' A' ' 218' ' ' ARG . 18.4 mt -56.23 -33.87 65.79 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.074 -0.512 . . . . 10.0 111.267 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -55.72 -70.2 1.04 Allowed Glycine 0 C--N 1.334 0.42 0 C-N-CA 120.642 -0.79 . . . . 10.0 111.283 178.548 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -53.06 -39.36 80.03 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.801 2.334 . . . . 10.0 111.347 178.348 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 31.8 t -58.74 -52.77 56.09 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 O-C-N 123.134 0.272 . . . . 10.0 111.444 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 225' ' ' THR . . . . . 0.434 ' O ' ' HB2' ' A' ' 229' ' ' TRP . 7.6 p -64.47 -34.79 79.02 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.826 -0.35 . . . . 10.0 110.79 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -66.31 -43.87 85.02 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.77 -0.456 . . . . 10.0 109.77 178.627 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -65.83 -45.07 83.62 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.802 -0.635 . . . . 10.0 109.874 178.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -60.85 -46.01 92.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.546 178.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 229' ' ' TRP . . . . . 0.434 ' HB2' ' O ' ' A' ' 225' ' ' THR . 0.2 OUTLIER -64.36 -35.67 81.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.38 179.412 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -63.31 -47.46 82.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.962 -0.563 . . . . 10.0 109.75 179.237 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -70.84 -40.63 72.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.486 . . . . 10.0 111.253 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 232' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 232' ' ' LEU . 20.6 mt -62.73 -38.5 90.75 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.506 179.447 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 233' ' ' GLU . . . . . 0.559 ' HA ' ' OG1' ' A' ' 236' ' ' THR . 4.0 mm-40 -67.25 -28.86 68.39 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.432 179.632 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 74.3 mttt -70.37 -36.79 74.35 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.172 -1.047 . . . . 10.0 108.172 177.418 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.75 -48.18 64.4 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.472 -0.786 . . . . 10.0 109.838 178.777 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 236' ' ' THR . . . . . 0.559 ' OG1' ' HA ' ' A' ' 233' ' ' GLU . 0.9 OUTLIER -63.4 -35.68 81.2 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.401 -0.592 . . . . 10.0 109.401 178.812 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -59.24 -47.85 83.81 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 108.771 -0.826 . . . . 10.0 108.771 178.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -64.12 -40.48 98.13 Favored Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 110.677 -0.969 . . . . 10.0 110.677 178.523 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 58.6 mt -63.83 -33.9 76.73 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.604 0.24 . . . . 10.0 110.549 179.143 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 55.7 mtt180 -69.76 -39.93 76.4 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.797 -0.446 . . . . 10.0 109.797 179.019 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -69.45 -42.26 75.17 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.944 -0.761 . . . . 10.0 108.944 178.382 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -66.49 -22.12 66.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.185 -0.916 . . . . 10.0 110.937 179.025 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 243' ' ' MET . . . . . 0.819 ' HG3' HD12 ' A' ' 247' ' ' LEU . 46.3 ttm -64.65 -29.48 70.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.38 0.61 . . . . 10.0 109.483 178.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 1.8 m -80.11 7.76 8.56 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.362 -0.836 . . . . 10.0 110.522 179.149 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 245' ' ' LYS . . . . . 0.434 ' O ' ' HB2' ' A' ' 249' ' ' GLU . 40.3 mttm -127.69 -61.75 1.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.239 -1.023 . . . . 10.0 108.239 178.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 246' ' ' ASP . . . . . 0.654 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 10.5 t70 -54.46 -59.42 4.71 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.914 -1.039 . . . . 10.0 112.003 -179.381 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 247' ' ' LEU . . . . . 0.819 HD12 ' HG3' ' A' ' 243' ' ' MET . 58.9 mt -79.56 -35.93 39.05 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.92 -179.263 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -63.01 -48.24 79.64 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 121.107 -0.237 . . . . 10.0 111.246 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 249' ' ' GLU . . . . . 0.434 ' HB2' ' O ' ' A' ' 245' ' ' LYS . 3.8 mt-10 -69.75 -33.7 72.8 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 111.639 0.237 . . . . 10.0 111.639 179.623 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 250' ' ' VAL . . . . . 0.63 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 0.9 OUTLIER -65.1 -28.12 43.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 C-N-CA 120.684 -0.407 . . . . 10.0 110.101 179.226 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 251' ' ' LYS . . . . . 0.546 ' O ' HG12 ' A' ' 254' ' ' VAL . 91.9 mttt -82.93 -42.2 17.94 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-O 121.357 0.599 . . . . 10.0 109.871 178.599 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -65.33 -32.18 73.7 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.924 -0.58 . . . . 10.0 109.738 179.047 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 70.4 mttt -90.24 -19.71 23.84 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.874 -0.603 . . . . 10.0 111.218 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 254' ' ' VAL . . . . . 0.63 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.5 OUTLIER -61.51 -31.08 49.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-O 120.728 0.299 . . . . 10.0 110.627 -179.882 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 255' ' ' GLN . . . . . 0.542 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 37.5 mt-30 -63.97 -62.32 5.43 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.124 179.674 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 256' ' ' PRO . . . . . 0.542 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 36.6 Cg_endo -67.46 -34.09 27.36 Favored 'Trans proline' 0 C--N 1.356 0.924 0 C-N-CA 121.968 1.779 . . . . 10.0 112.477 178.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 5.4 m-30 -63.25 -53.3 55.09 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.03 0.443 . . . . 10.0 110.522 179.578 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 258' ' ' LEU . . . . . 0.452 ' O ' ' HB2' ' A' ' 262' ' ' GLN . 31.2 mt -66.82 -39.29 87.65 Favored 'General case' 0 C--O 1.219 -0.532 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.181 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -57.03 -51.74 68.06 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 123.408 0.443 . . . . 10.0 111.756 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -58.74 -48.19 82.05 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.383 -0.372 . . . . 10.0 111.142 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -68.7 -35.53 77.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.916 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 262' ' ' GLN . . . . . 0.452 ' HB2' ' O ' ' A' ' 258' ' ' LEU . 42.6 tt0 -66.71 -41.76 87.44 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.041 -0.726 . . . . 10.0 109.041 179.513 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 263' ' ' LYS . . . . . 0.443 ' O ' ' HG3' ' A' ' 267' ' ' GLU . 4.3 ttmt -61.65 -50.62 71.81 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.265 -0.88 . . . . 10.0 108.847 178.544 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 264' ' ' LYS . . . . . 0.652 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 75.1 mttt -62.69 -39.8 95.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.411 -0.813 . . . . 10.0 110.874 179.277 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -63.31 -42.57 99.03 Favored 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 110.033 -0.358 . . . . 10.0 110.033 178.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -61.51 -45.1 95.63 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 108.818 -0.808 . . . . 10.0 108.818 178.254 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 267' ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' A' ' 263' ' ' LYS . 43.7 mt-10 -60.59 -43.6 97.2 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.806 -0.634 . . . . 10.0 110.002 178.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 268' ' ' GLU . . . . . 0.492 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 25.1 mt-10 -61.8 -41.59 97.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.824 -0.625 . . . . 10.0 110.539 179.245 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 79.6 mmm -67.5 -42.65 82.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.831 -0.622 . . . . 10.0 109.887 179.271 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -62.07 -44.66 96.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.997 0.427 . . . . 10.0 109.955 178.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 44.0 mt -63.9 -37.84 88.88 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.741 -0.663 . . . . 10.0 109.981 178.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 272' ' ' TYR . . . . . 0.48 ' HD1' ' HA ' ' A' ' 272' ' ' TYR . 0.4 OUTLIER -67.9 -34.91 77.55 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 115.672 -0.694 . . . . 10.0 109.948 178.952 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 273' ' ' ARG . . . . . 0.644 ' HA ' HG12 ' A' ' 276' ' ' VAL . 72.2 mtt180 -75.65 -44.0 44.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.656 179.138 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -60.99 -25.75 67.09 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 116.002 -0.545 . . . . 10.0 109.95 179.28 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 275' ' ' LYS . . . . . 0.754 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 0.2 OUTLIER -91.22 -46.06 8.29 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.427 178.858 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 276' ' ' VAL . . . . . 0.644 HG12 ' HA ' ' A' ' 273' ' ' ARG . 2.4 p -56.02 -32.85 34.46 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.158 0 N-CA-C 113.039 0.755 . . . . 10.0 113.039 -178.313 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -60.82 -62.31 6.23 Favored Pre-proline 0 CA--C 1.538 0.502 0 N-CA-C 112.018 0.377 . . . . 10.0 112.018 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 278' ' ' PRO . . . . . 0.43 ' O ' ' HG3' ' A' ' 282' ' ' GLU . 37.5 Cg_endo -68.15 -35.92 18.25 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 121.705 1.603 . . . . 10.0 111.789 178.289 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 279' ' ' LEU . . . . . 0.955 HD22 ' HE3' ' D' ' 495' ' ' LYS . 8.4 mt -61.16 -43.93 98.12 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 121.017 -0.273 . . . . 10.0 111.148 -179.667 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 280' ' ' ARG . . . . . 0.413 ' O ' ' HB2' ' A' ' 284' ' ' GLN . 42.0 mtt180 -63.08 -33.91 76.46 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 109.851 -0.426 . . . . 10.0 109.851 179.284 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -69.12 -44.49 72.3 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.151 -0.477 . . . . 10.0 109.797 179.283 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 282' ' ' GLU . . . . . 0.43 ' HG3' ' O ' ' A' ' 278' ' ' PRO . 46.2 mt-10 -64.13 -48.01 77.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.917 -0.583 . . . . 10.0 109.775 178.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 77.8 mt -60.14 -39.37 86.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.757 -0.656 . . . . 10.0 109.855 178.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 284' ' ' GLN . . . . . 0.413 ' HB2' ' O ' ' A' ' 280' ' ' ARG . 38.4 tt0 -64.73 -45.91 84.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.234 179.304 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -62.6 -47.47 83.63 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 109.568 -0.53 . . . . 10.0 109.568 178.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -60.4 -40.57 97.77 Favored Glycine 0 N--CA 1.443 -0.875 0 N-CA-C 111.052 -0.819 . . . . 10.0 111.052 179.199 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -67.07 -44.33 80.37 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.103 -0.332 . . . . 10.0 110.103 179.236 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 89.2 mtt180 -54.04 -53.11 57.54 Favored 'General case' 0 C--N 1.331 -0.199 0 O-C-N 123.462 0.476 . . . . 10.0 110.215 179.042 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 11.0 tm0? -63.06 -47.12 84.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.855 -0.611 . . . . 10.0 111.397 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 47.2 mttp -58.98 -42.99 91.3 Favored 'General case' 0 CA--C 1.522 -0.126 0 CA-C-O 120.884 0.373 . . . . 10.0 110.938 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 90.7 mt -68.08 -39.44 82.92 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.11 -0.496 . . . . 10.0 110.04 178.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 292' ' ' HIS . . . . . 0.507 ' O ' ' HG2' ' A' ' 296' ' ' GLU . 3.5 m170 -61.86 -43.92 97.87 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.026 178.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -60.24 -39.52 87.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.697 -0.683 . . . . 10.0 109.569 178.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 77.2 mt -67.17 -42.29 84.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.885 -0.598 . . . . 10.0 109.515 178.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -61.47 -33.18 73.32 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.057 -0.52 . . . . 10.0 110.449 178.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 296' ' ' GLU . . . . . 0.507 ' HG2' ' O ' ' A' ' 292' ' ' HIS . 18.9 mm-40 -63.46 -18.16 63.47 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 115.96 -0.563 . . . . 10.0 110.417 179.283 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 297' ' ' LYS . . . . . 0.62 ' HB3' HD12 ' A' ' 301' ' ' LEU . 28.9 mmtp -109.65 -32.7 7.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.37 179.422 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 66.9 mt -61.8 -28.85 69.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 10.0 111.282 179.614 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 299' ' ' SER . . . . . 0.546 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 7.0 m -79.22 -68.24 0.23 Allowed Pre-proline 0 CA--C 1.538 0.501 0 N-CA-C 112.668 0.618 . . . . 10.0 112.668 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 300' ' ' PRO . . . . . 0.546 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 37.0 Cg_endo -65.53 -52.24 1.12 Allowed 'Trans proline' 0 C--N 1.356 0.928 0 C-N-CA 121.972 1.781 . . . . 10.0 112.778 -179.024 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 301' ' ' LEU . . . . . 0.693 HD13 ' HG2' ' D' ' 473' ' ' LYS . 94.3 mt -66.45 -27.8 68.09 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.839 0.352 . . . . 10.0 110.297 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -67.4 -49.84 48.58 Favored Glycine 0 N--CA 1.445 -0.755 0 N-CA-C 110.226 -1.149 . . . . 10.0 110.226 178.434 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -64.76 -41.3 96.0 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.858 -0.423 . . . . 10.0 109.858 178.665 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -61.55 -41.75 97.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.947 -0.57 . . . . 10.0 110.065 179.072 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 305' ' ' MET . . . . . 0.425 ' SD ' HD13 ' D' ' 469' ' ' LEU . 11.2 tpt -63.26 -39.23 94.01 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.479 -0.564 . . . . 10.0 109.479 179.179 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 58.6 mtt180 -68.06 -40.27 82.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.914 -0.584 . . . . 10.0 110.35 179.171 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 307' ' ' ASP . . . . . 0.519 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 27.0 t70 -68.22 -42.96 79.0 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.208 -0.451 . . . . 10.0 109.863 179.215 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 308' ' ' ARG . . . . . 0.535 ' HG3' HD21 ' D' ' 469' ' ' LEU . 25.6 mmt180 -65.31 -34.93 79.5 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.731 -0.84 . . . . 10.0 108.731 177.719 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 309' ' ' ALA . . . . . 0.406 ' O ' HG23 ' A' ' 313' ' ' VAL . . . -64.52 -38.45 91.04 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 108.943 -0.762 . . . . 10.0 108.943 178.012 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 310' ' ' ARG . . . . . 0.519 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 88.2 mtt180 -57.95 -48.25 80.52 Favored 'General case' 0 C--O 1.223 -0.302 0 N-CA-C 108.725 -0.843 . . . . 10.0 108.725 177.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -63.6 -39.53 94.62 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.619 -0.719 . . . . 10.0 110.314 179.286 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -59.22 -51.78 68.52 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 121.127 0.489 . . . . 10.0 109.703 179.089 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 313' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 309' ' ' ALA . 45.1 t -70.06 -32.86 52.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.505 -0.77 . . . . 10.0 110.775 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -63.77 -48.35 77.3 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.156 0.503 . . . . 10.0 110.014 179.305 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -61.17 -37.63 83.58 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.529 -0.76 . . . . 10.0 109.299 178.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 75.7 mt -68.36 -43.74 76.76 Favored 'General case' 0 C--O 1.221 -0.402 0 CA-C-N 115.472 -0.786 . . . . 10.0 109.777 178.509 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 317' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 317' ' ' ARG . 14.9 mtm105 -59.25 -44.01 92.41 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.785 0.326 . . . . 10.0 110.824 179.481 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 3.2 m -66.72 -24.35 66.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.6 -0.727 . . . . 10.0 111.469 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 14.6 m80 -93.2 -46.56 7.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.504 -0.317 . . . . 10.0 111.556 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 96.5 mt -60.71 -31.5 70.79 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.347 0.499 . . . . 10.0 112.347 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 321' ' ' ALA . . . . . 0.408 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -58.2 -63.63 3.73 Favored Pre-proline 0 CA--C 1.536 0.407 0 N-CA-C 111.575 0.213 . . . . 10.0 111.575 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 322' ' ' PRO . . . . . 0.408 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 38.0 Cg_endo -67.87 -27.66 36.92 Favored 'Trans proline' 0 C--N 1.356 0.942 0 C-N-CA 121.495 1.463 . . . . 10.0 111.311 178.812 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -62.59 -48.96 77.16 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.284 179.266 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 324' ' ' SER . . . . . 0.472 ' HA ' ' HB2' ' A' ' 327' ' ' LEU . 10.8 p -69.36 -33.48 73.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.901 0.381 . . . . 10.0 110.005 179.359 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.85 -41.72 98.16 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 108.846 -0.798 . . . . 10.0 108.846 178.703 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -76.13 -33.1 59.42 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.572 -0.74 . . . . 10.0 109.938 178.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 327' ' ' LEU . . . . . 0.472 ' HB2' ' HA ' ' A' ' 324' ' ' SER . 16.3 mt -61.07 -35.26 76.47 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 108.952 -0.758 . . . . 10.0 108.952 178.252 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 328' ' ' ARG . . . . . 0.419 ' HG3' ' O ' ' A' ' 324' ' ' SER . 84.5 mtt180 -60.57 -44.33 96.31 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.861 -0.792 . . . . 10.0 108.861 177.77 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -64.72 -44.3 90.66 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.809 -0.632 . . . . 10.0 109.624 178.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 330' ' ' ARG . . . . . 0.635 HH21 ' HB3' ' D' ' 447' ' ' GLU . 29.6 mtt-85 -57.97 -54.06 51.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.553 -0.749 . . . . 10.0 110.457 179.408 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 30.8 mt -61.49 -43.47 98.81 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-N 115.99 -0.55 . . . . 10.0 111.173 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -60.49 -43.88 96.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.658 0.266 . . . . 10.0 110.57 179.4 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -61.52 -45.85 92.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.024 -0.534 . . . . 10.0 109.714 178.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 334' ' ' ARG . . . . . 0.458 ' HD3' ' CD ' ' D' ' 440' ' ' GLU . 30.4 mmt180 -62.8 -42.98 99.94 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.817 -0.628 . . . . 10.0 109.694 178.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 335' ' ' LEU . . . . . 0.591 ' O ' ' HB2' ' A' ' 339' ' ' LYS . 61.5 mt -64.06 -45.9 86.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.727 -0.67 . . . . 10.0 111.437 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -65.88 -41.98 90.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.424 -0.353 . . . . 10.0 111.417 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -65.52 -47.57 75.52 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.152 0.501 . . . . 10.0 109.655 178.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 49.2 mt -69.78 -14.6 62.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.035 -0.529 . . . . 10.0 111.116 178.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 339' ' ' LYS . . . . . 0.591 ' HB2' ' O ' ' A' ' 335' ' ' LEU . 31.7 tttt -82.69 -48.63 10.67 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.34 -0.615 . . . . 10.0 109.34 178.793 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -67.13 -46.16 74.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.106 0.479 . . . . 10.0 109.86 178.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 20.8 t30 -71.4 -36.46 71.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.995 -0.548 . . . . 10.0 109.851 179.248 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -62.96 -43.76 98.41 Favored Glycine 0 N--CA 1.45 -0.384 0 N-CA-C 111.297 -0.721 . . . . 10.0 111.297 179.263 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 343' ' ' GLY . . . . . 0.442 ' HA2' HD12 ' A' ' 346' ' ' LEU . . . -61.66 -36.77 93.17 Favored Glycine 0 N--CA 1.452 -0.295 0 N-CA-C 111.18 -0.768 . . . . 10.0 111.18 178.81 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -67.59 -44.37 78.29 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.454 -0.572 . . . . 10.0 109.454 178.504 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 65.8 mtm180 -64.6 -37.78 88.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.6 -0.727 . . . . 10.0 110.343 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 346' ' ' LEU . . . . . 0.442 HD12 ' HA2' ' A' ' 343' ' ' GLY . 72.5 mt -59.57 -54.33 47.72 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.469 -0.567 . . . . 10.0 109.469 178.825 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.77 -42.67 93.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.67 -0.695 . . . . 10.0 110.568 179.492 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 348' ' ' GLU . . . . . 0.491 ' O ' ' HG3' ' A' ' 352' ' ' LYS . 2.2 mt-10 -63.41 -47.03 83.66 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.112 -0.495 . . . . 10.0 111.027 179.32 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -61.6 -34.27 75.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.551 -0.295 . . . . 10.0 110.264 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 29.6 m-70 -65.67 -42.83 90.87 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.052 -0.721 . . . . 10.0 109.052 177.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -65.0 -41.87 94.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.383 -0.826 . . . . 10.0 109.657 179.075 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 352' ' ' LYS . . . . . 0.491 ' HG3' ' O ' ' A' ' 348' ' ' GLU . 34.4 mttm -62.84 -43.72 98.05 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.181 -0.674 . . . . 10.0 109.181 178.394 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -61.74 -38.21 87.11 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.709 -0.678 . . . . 10.0 109.394 178.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 29.1 m -61.68 -40.96 96.82 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.513 -0.551 . . . . 10.0 109.513 178.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -67.15 -44.34 80.04 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.132 -0.485 . . . . 10.0 109.876 178.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 27.3 m-70 -62.26 -39.66 93.62 Favored 'General case' 0 C--O 1.226 -0.164 0 CA-C-N 115.687 -0.688 . . . . 10.0 110.949 179.405 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 83.5 mt -68.8 -38.06 79.7 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.287 -0.415 . . . . 10.0 111.041 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 41.4 m -64.22 -45.67 87.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.432 . . . . 10.0 110.367 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 1.2 p -73.53 -28.9 62.13 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.19 179.341 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 56.7 tp -63.65 -30.44 71.55 Favored 'General case' 0 CA--C 1.521 -0.158 0 N-CA-C 109.243 -0.651 . . . . 10.0 109.243 178.289 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 49.0 m -61.99 -32.6 73.08 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.882 -0.599 . . . . 10.0 109.64 178.678 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -67.87 -26.54 66.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.12 0.486 . . . . 10.0 110.313 178.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 363' ' ' LYS . . . . . 0.708 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 80.0 mttt -90.42 -30.85 17.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.131 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 364' ' ' ALA . . . . . 0.599 ' HA ' HD12 ' A' ' 368' ' ' LEU . . . -83.51 -24.49 31.67 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 113.06 0.763 . . . . 10.0 113.06 -178.804 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 365' ' ' LYS . . . . . 0.959 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 85.1 mttt -110.98 -75.14 0.02 OUTLIER Pre-proline 0 CA--C 1.533 0.327 0 N-CA-C 112.841 0.682 . . . . 10.0 112.841 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 366' ' ' PRO . . . . . 0.959 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 31.4 Cg_exo -59.54 -55.31 1.84 Allowed 'Trans proline' 0 C--N 1.357 1.016 0 C-N-CA 122.206 1.938 . . . . 10.0 112.919 -179.163 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 367' ' ' ALA . . . . . 0.708 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -62.44 -45.65 92.12 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.764 0.283 . . . . 10.0 111.764 -179.368 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 368' ' ' LEU . . . . . 0.599 HD12 ' HA ' ' A' ' 364' ' ' ALA . 0.9 OUTLIER -62.64 -44.26 96.72 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.592 -0.276 . . . . 10.0 111.306 -179.738 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -63.66 -41.88 98.15 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.817 -0.438 . . . . 10.0 109.817 179.357 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -61.13 -41.46 96.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.296 -0.865 . . . . 10.0 109.631 179.298 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 371' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 367' ' ' ALA . 85.4 mt -66.41 -42.21 88.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.611 -0.722 . . . . 10.0 110.275 178.571 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 372' ' ' ARG . . . . . 0.494 ' O ' ' HG ' ' A' ' 376' ' ' LEU . 98.8 mtt180 -62.87 -47.55 82.86 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.143 -0.48 . . . . 10.0 110.688 179.474 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -65.09 -21.63 66.84 Favored 'General case' 0 C--O 1.23 0.065 0 CA-C-N 116.043 -0.526 . . . . 10.0 111.139 179.577 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -89.46 -35.62 7.87 Favored Glycine 0 N--CA 1.449 -0.489 0 N-CA-C 111.58 -0.608 . . . . 10.0 111.58 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 36.4 mt -73.23 -29.6 62.89 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.605 0.224 . . . . 10.0 111.605 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 376' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 372' ' ' ARG . 54.4 mt -54.68 -59.91 9.26 Favored Pre-proline 0 CA--C 1.536 0.425 0 N-CA-C 112.429 0.529 . . . . 10.0 112.429 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -61.14 -34.48 89.19 Favored 'Trans proline' 0 C--N 1.356 0.922 0 C-N-CA 121.813 1.675 . . . . 10.0 110.94 178.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 54.6 t -63.11 -44.54 99.53 Favored 'Isoleucine or valine' 0 C--O 1.231 0.126 0 N-CA-C 109.554 -0.536 . . . . 10.0 109.554 178.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 379' ' ' LEU . . . . . 0.441 ' O ' ' HG3' ' A' ' 383' ' ' LYS . 66.2 mt -64.37 -39.29 93.59 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.019 178.478 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -61.91 -43.12 99.49 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.899 -0.591 . . . . 10.0 110.461 178.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 2.3 p -70.92 -33.59 70.69 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.96 -0.385 . . . . 10.0 109.96 178.489 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -65.33 -34.9 79.41 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.027 179.006 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 383' ' ' LYS . . . . . 0.441 ' HG3' ' O ' ' A' ' 379' ' ' LEU . 95.6 mttt -60.27 -39.36 86.53 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 108.938 -0.764 . . . . 10.0 108.938 177.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 72.2 t -63.81 -40.53 89.39 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 N-CA-C 109.04 -0.726 . . . . 10.0 109.04 178.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 1.3 m -64.81 -43.25 93.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.734 -0.667 . . . . 10.0 109.994 179.194 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -66.67 -47.29 72.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.346 -0.388 . . . . 10.0 111.573 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 387' ' ' LEU . . . . . 0.477 ' O ' ' HG3' ' A' ' 391' ' ' GLU . 27.7 mt -58.34 -46.91 85.34 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.37 -0.377 . . . . 10.0 111.309 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 388' ' ' SER . . . . . 0.4 ' O ' ' HG2' ' A' ' 392' ' ' GLU . 12.4 p -67.24 -44.17 80.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.6 -0.273 . . . . 10.0 110.906 179.651 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -57.6 -47.88 80.94 Favored 'General case' 0 CA--C 1.523 -0.081 0 CA-C-N 116.29 -0.413 . . . . 10.0 110.742 179.587 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 84.4 mt -56.02 -45.14 79.22 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.05 0.452 . . . . 10.0 110.153 179.215 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 391' ' ' GLU . . . . . 0.477 ' HG3' ' O ' ' A' ' 387' ' ' LEU . 27.4 mt-10 -63.77 -45.18 90.95 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.414 179.447 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 392' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 388' ' ' SER . 58.2 mm-40 -57.49 -48.19 79.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.922 0.392 . . . . 10.0 110.97 179.507 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -64.49 -39.36 93.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.98 -0.555 . . . . 10.0 111.485 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 11.7 m -70.21 -31.53 69.01 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.85 0.357 . . . . 10.0 111.254 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -77.76 -39.07 45.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.925 0.393 . . . . 10.0 111.956 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 396' ' ' LYS . . . . . 0.746 ' HE2' ' HA ' ' D' ' 587' ' ' ALA . 14.0 mptt -85.09 -33.98 22.31 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 113.459 0.911 . . . . 10.0 113.459 -178.323 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 78.7 mt -94.77 -18.25 21.41 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.413 0.523 . . . . 10.0 112.413 -179.077 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 46.4 t30 . . . . . 0 C--N 1.328 -0.368 0 CA-C-O 120.616 0.245 . . . . 10.0 111.134 -179.82 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 399' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' D' ' 399' ' ' LEU . 3.2 mm? . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 121.244 0.545 . . . . 10.0 110.464 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 400' ' ' LYS . . . . . 0.456 ' HB2' ' HE2' ' D' ' 400' ' ' LYS . 3.6 mppt? -124.67 24.01 7.89 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.54 -0.755 . . . . 10.0 110.596 179.656 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 41.3 mt -74.59 -38.5 62.6 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.516 -0.766 . . . . 10.0 110.69 -179.296 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 36.5 mt -63.89 -38.46 91.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.87 -0.605 . . . . 10.0 110.316 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -69.13 -39.21 79.03 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.479 -0.782 . . . . 10.0 110.54 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 404' ' ' ASN . . . . . 0.481 ' O ' HG23 ' D' ' 408' ' ' VAL . 26.4 t-20 -68.33 -45.76 72.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.685 -0.689 . . . . 10.0 110.431 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -61.58 -30.11 70.46 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.767 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -62.07 -48.88 78.22 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.618 -0.512 . . . . 10.0 109.618 178.643 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 1.2 m -62.53 -37.52 86.39 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.017 178.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 408' ' ' VAL . . . . . 0.481 HG23 ' O ' ' D' ' 404' ' ' ASN . 58.1 t -65.17 -37.42 80.14 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 N-CA-C 109.477 -0.564 . . . . 10.0 109.477 178.753 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 53.7 m -64.53 -38.5 91.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.957 -0.565 . . . . 10.0 109.752 178.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 5.1 m -62.12 -39.57 92.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.041 -0.527 . . . . 10.0 109.724 178.449 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 20.6 m -64.86 -42.42 94.89 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.083 -0.508 . . . . 10.0 109.687 178.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 412' ' ' PHE . . . . . 0.495 ' HD1' HD12 ' D' ' 415' ' ' LEU . 12.4 m-85 -64.48 -37.96 89.34 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.547 -0.538 . . . . 10.0 109.547 178.781 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 413' ' ' SER . . . . . 0.419 ' O ' ' HG3' ' D' ' 417' ' ' GLU . 19.8 m -63.93 -40.25 96.03 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.234 -0.654 . . . . 10.0 109.234 178.49 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 414' ' ' LYS . . . . . 0.524 ' HD3' ' HA ' ' D' ' 414' ' ' LYS . 46.0 mmtt -64.36 -35.98 82.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.998 -0.546 . . . . 10.0 109.945 178.507 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 415' ' ' LEU . . . . . 0.495 HD12 ' HD1' ' D' ' 412' ' ' PHE . 95.6 mt -65.56 -39.27 91.48 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.148 -0.686 . . . . 10.0 109.148 178.622 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 77.2 mtt180 -68.84 -35.47 76.99 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.772 -0.649 . . . . 10.0 110.618 179.322 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 417' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' D' ' 413' ' ' SER . 42.1 mt-10 -70.75 -20.21 62.65 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 121.256 0.55 . . . . 10.0 110.313 178.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -90.15 -49.51 6.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.573 -0.739 . . . . 10.0 109.69 178.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 59.6 mt -47.8 -47.37 31.02 Favored 'General case' 0 N--CA 1.461 0.11 0 CA-C-N 115.523 -0.762 . . . . 10.0 112.138 -179.388 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -52.05 -74.7 0.27 Allowed Glycine 0 CA--C 1.52 0.374 0 C-N-CA 121.273 -0.489 . . . . 10.0 112.998 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 421' ' ' PRO . . . . . 0.41 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 50.3 Cg_exo -55.15 -41.7 76.04 Favored 'Trans proline' 0 CA--C 1.531 0.357 0 C-N-CA 122.908 2.405 . . . . 10.0 112.343 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 31.5 t -60.46 -44.19 95.8 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 N-CA-C 112.623 0.601 . . . . 10.0 112.623 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 25.2 p -71.41 -34.46 70.37 Favored 'General case' 0 N--CA 1.462 0.17 0 C-N-CA 120.809 -0.357 . . . . 10.0 111.29 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -59.96 -50.67 72.84 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.67 -0.493 . . . . 10.0 109.67 179.128 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 425' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 12.6 pt-20 -73.06 -25.99 61.12 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.251 178.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 426' ' ' PHE . . . . . 0.575 ' O ' ' HG ' ' D' ' 430' ' ' LEU . 29.6 t80 -65.93 -41.78 90.93 Favored 'General case' 0 C--O 1.222 -0.368 0 N-CA-C 109.107 -0.701 . . . . 10.0 109.107 178.683 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 26.7 m0 -65.34 -37.74 88.0 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.53 -0.545 . . . . 10.0 109.53 178.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -65.6 -42.04 92.1 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.594 -0.891 . . . . 10.0 108.594 177.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 429' ' ' ASN . . . . . 0.457 ' HA ' ' HD2' ' D' ' 432' ' ' LYS . 8.3 t30 -65.55 -40.56 92.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.654 -0.703 . . . . 10.0 109.738 178.208 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 430' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' D' ' 426' ' ' PHE . 48.4 mt -57.39 -42.92 83.15 Favored 'General case' 0 CA--C 1.517 -0.318 0 N-CA-C 109.378 -0.601 . . . . 10.0 109.378 178.793 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -65.8 -45.6 81.78 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.983 -0.553 . . . . 10.0 109.807 178.51 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 432' ' ' LYS . . . . . 0.457 ' HD2' ' HA ' ' D' ' 429' ' ' ASN . 36.7 mttt -54.93 -44.86 74.65 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 109.577 -0.527 . . . . 10.0 109.577 178.787 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 433' ' ' GLU . . . . . 0.531 ' O ' ' HG ' ' D' ' 437' ' ' LEU . 63.0 mt-10 -67.57 -56.81 7.98 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.647 -0.706 . . . . 10.0 110.913 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 7.5 p -55.39 -53.35 57.3 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.755 0.65 . . . . 10.0 112.755 -178.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 435' ' ' GLU . . . . . 0.615 ' O ' ' HG3' ' D' ' 439' ' ' GLN . 6.1 mm-40 -60.68 -42.6 97.43 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-O 120.386 0.136 . . . . 10.0 110.793 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -62.26 -49.31 75.71 Favored Glycine 0 C--N 1.333 0.382 0 N-CA-C 110.99 -0.844 . . . . 10.0 110.99 179.315 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 437' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' D' ' 433' ' ' GLU . 84.1 mt -65.03 -32.02 73.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.556 0.217 . . . . 10.0 110.563 179.372 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 438' ' ' ARG . . . . . 0.433 ' HA ' ' HB2' ' D' ' 441' ' ' MET . 69.9 mtt180 -66.86 -32.31 73.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.563 -0.29 . . . . 10.0 110.888 179.451 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 439' ' ' GLN . . . . . 0.615 ' HG3' ' O ' ' D' ' 435' ' ' GLU . 96.2 mt-30 -64.81 -42.36 95.06 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 109.768 -0.456 . . . . 10.0 109.768 179.42 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 440' ' ' GLU . . . . . 0.458 ' CD ' ' HD3' ' A' ' 334' ' ' ARG . 0.9 OUTLIER -80.82 -25.32 37.86 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.451 178.95 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 441' ' ' MET . . . . . 0.433 ' HB2' ' HA ' ' D' ' 438' ' ' ARG . 47.9 mmm -74.59 -41.03 61.2 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.106 -0.497 . . . . 10.0 112.033 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 1.6 p -62.5 -42.91 99.82 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 108.911 -0.774 . . . . 10.0 108.911 178.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -63.42 -41.91 98.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.227 -0.897 . . . . 10.0 109.244 178.268 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -62.09 -50.13 73.16 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-N 115.415 -0.811 . . . . 10.0 110.224 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 97.6 mt -62.19 -46.39 89.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.872 -179.387 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -63.62 -46.84 83.89 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.777 0.322 . . . . 10.0 110.925 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 447' ' ' GLU . . . . . 0.635 ' HB3' HH21 ' A' ' 330' ' ' ARG . 1.1 tt0 -69.46 -25.42 64.07 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 109.813 -0.44 . . . . 10.0 109.813 179.534 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 448' ' ' VAL . . . . . 0.439 HG23 HH22 ' A' ' 330' ' ' ARG . 1.2 t -65.52 -38.07 81.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 109.296 -0.631 . . . . 10.0 109.296 178.679 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 84.3 mttt -65.24 -33.5 76.14 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.905 -0.776 . . . . 10.0 108.905 178.359 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -84.95 1.5 47.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.925 -1.034 . . . . 10.0 110.649 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 451' ' ' LYS . . . . . 0.589 ' O ' ' HB2' ' D' ' 455' ' ' TYR . 35.4 mmtm -111.13 -47.67 3.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.147 179.478 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 72.3 t -57.47 -45.15 85.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.046 -0.525 . . . . 10.0 111.793 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -57.72 -61.23 7.71 Favored Pre-proline 0 CA--C 1.536 0.412 0 N-CA-C 112.973 0.731 . . . . 10.0 112.973 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_endo -63.37 -29.63 72.34 Favored 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 121.56 1.506 . . . . 10.0 111.579 178.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 455' ' ' TYR . . . . . 0.589 ' HB2' ' O ' ' D' ' 451' ' ' LYS . 1.8 t80 -67.91 -43.75 78.51 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.097 -0.705 . . . . 10.0 109.097 178.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 17.8 mt -68.74 -40.71 79.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.554 -0.748 . . . . 10.0 109.949 178.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -59.68 -51.43 69.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.471 179.31 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 458' ' ' ASP . . . . . 0.447 ' HA ' ' HD2' ' D' ' 461' ' ' LYS . 34.8 t70 -64.9 -38.64 91.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.965 -0.562 . . . . 10.0 110.828 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 2.2 m-30 -66.72 -45.2 79.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.035 -0.529 . . . . 10.0 110.432 179.025 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -61.91 -35.0 77.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.382 -0.372 . . . . 10.0 110.508 179.198 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 461' ' ' LYS . . . . . 0.447 ' HD2' ' HA ' ' D' ' 458' ' ' ASP . 58.8 mttt -61.94 -49.25 76.88 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 108.827 -0.805 . . . . 10.0 108.827 178.173 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 462' ' ' LYS . . . . . 0.645 ' HB3' ' C28' ' D' ' 602' ' ' PCW . 6.9 mtmm -65.38 -37.2 86.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.483 -0.781 . . . . 10.0 110.64 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 28.4 m0 -64.4 -40.75 96.41 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.362 -0.607 . . . . 10.0 109.362 178.303 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -64.62 -46.42 82.67 Favored 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 109.355 -0.609 . . . . 10.0 109.355 178.257 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 465' ' ' GLU . . . . . 0.529 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 39.2 mt-10 -57.21 -51.86 67.65 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.171 178.797 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 466' ' ' GLU . . . . . 0.616 ' OE2' H262 ' D' ' 602' ' ' PCW . 0.4 OUTLIER -60.75 -42.88 98.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.574 179.787 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 42.0 ttm -62.65 -41.95 99.34 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.957 0.408 . . . . 10.0 110.384 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -70.11 -32.13 70.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.065 0.46 . . . . 10.0 109.785 178.657 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 469' ' ' LEU . . . . . 0.535 HD21 ' HG3' ' A' ' 308' ' ' ARG . 47.6 mt -66.87 -36.28 81.95 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.143 -0.688 . . . . 10.0 109.143 178.186 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 19.4 m-30 -65.58 -32.24 73.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.312 0.577 . . . . 10.0 109.785 178.496 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 471' ' ' ARG . . . . . 0.798 ' HA ' ' HG3' ' D' ' 475' ' ' GLU . 65.0 mtt180 -74.4 -23.51 58.97 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.586 -0.733 . . . . 10.0 110.707 179.086 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -101.04 -5.84 25.23 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.123 -0.489 . . . . 10.0 111.15 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 473' ' ' LYS . . . . . 0.693 ' HG2' HD13 ' A' ' 301' ' ' LEU . 58.2 mttp -125.92 -74.9 0.59 Allowed 'General case' 0 C--O 1.221 -0.414 0 CA-C-N 116.446 -0.343 . . . . 10.0 111.272 -179.656 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 44.4 t -52.24 -45.14 43.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 112.603 0.594 . . . . 10.0 112.603 -179.15 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 475' ' ' GLU . . . . . 0.798 ' HG3' ' HA ' ' D' ' 471' ' ' ARG . 9.6 mt-10 -59.43 -60.94 8.95 Favored Pre-proline 0 C--N 1.328 -0.365 0 N-CA-C 112.917 0.71 . . . . 10.0 112.917 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -63.5 -34.28 65.39 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 121.832 1.688 . . . . 10.0 111.67 178.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 477' ' ' LEU . . . . . 0.565 ' HA ' ' HB2' ' D' ' 480' ' ' GLU . 29.1 mt -67.84 -25.69 65.67 Favored 'General case' 0 CA--C 1.52 -0.21 0 N-CA-C 109.98 -0.378 . . . . 10.0 109.98 178.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 478' ' ' ARG . . . . . 0.418 ' O ' ' HB2' ' D' ' 482' ' ' GLN . 12.8 mtt-85 -66.14 -30.16 70.59 Favored 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 108.336 -0.986 . . . . 10.0 108.336 178.076 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 479' ' ' ALA . . . . . 0.4 ' O ' ' HB3' ' D' ' 482' ' ' GLN . . . -81.81 -36.28 28.55 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.458 -0.792 . . . . 10.0 108.866 178.136 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 480' ' ' GLU . . . . . 0.565 ' HB2' ' HA ' ' D' ' 477' ' ' LEU . 0.6 OUTLIER -60.34 -48.57 81.19 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 108.316 -0.994 . . . . 10.0 108.316 177.832 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 94.3 mt -73.26 -22.64 60.34 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.207 -0.906 . . . . 10.0 110.008 178.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 482' ' ' GLN . . . . . 0.418 ' HB2' ' O ' ' D' ' 478' ' ' ARG . 4.6 tp60 -67.27 -56.1 11.21 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 108.828 -0.804 . . . . 10.0 108.828 178.457 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.84 -31.06 71.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.791 -0.641 . . . . 10.0 109.595 178.826 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -67.14 -48.52 58.98 Favored Glycine 0 N--CA 1.449 -0.498 0 N-CA-C 110.363 -1.095 . . . . 10.0 110.363 178.428 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -65.57 -39.05 91.21 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 110.137 -0.319 . . . . 10.0 110.137 178.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -59.46 -47.32 85.93 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 109.525 -0.546 . . . . 10.0 109.525 178.516 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 487' ' ' GLN . . . . . 0.515 ' O ' ' HG3' ' D' ' 491' ' ' GLU . 11.0 mm100 -65.36 -43.46 90.76 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-N 115.829 -0.623 . . . . 10.0 109.67 178.499 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -59.34 -46.16 89.37 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 123.347 0.405 . . . . 10.0 110.146 179.099 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 69.2 mt -64.6 -37.55 87.94 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.224 178.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -64.21 -46.85 82.06 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.384 -0.969 . . . . 10.0 108.384 178.09 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 491' ' ' GLU . . . . . 0.515 ' HG3' ' O ' ' D' ' 487' ' ' GLN . 43.5 mt-10 -57.55 -44.19 85.03 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 108.497 -0.927 . . . . 10.0 108.497 178.145 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 492' ' ' LEU . . . . . 0.541 ' O ' ' HG ' ' D' ' 496' ' ' LEU . 64.3 mt -63.0 -57.28 11.23 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 115.356 -0.838 . . . . 10.0 111.024 179.565 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -54.36 -40.55 68.22 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.856 0.36 . . . . 10.0 111.778 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -62.91 -17.18 61.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.677 -0.692 . . . . 10.0 111.463 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 495' ' ' LYS . . . . . 0.955 ' HE3' HD22 ' A' ' 279' ' ' LEU . 15.2 mttp -110.59 -30.73 7.5 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.266 -0.424 . . . . 10.0 110.541 179.013 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 496' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' D' ' 492' ' ' LEU . 98.6 mt -63.84 -33.15 75.04 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.199 -0.455 . . . . 10.0 111.421 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 497' ' ' SER . . . . . 0.412 ' HB2' ' CD ' ' D' ' 498' ' ' PRO . 11.8 m -69.77 -61.75 2.84 Favored Pre-proline 0 C--N 1.324 -0.507 0 C-N-CA 120.869 -0.332 . . . . 10.0 111.37 178.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 498' ' ' PRO . . . . . 0.412 ' CD ' ' HB2' ' D' ' 497' ' ' SER . 27.9 Cg_endo -62.16 -46.46 12.7 Favored 'Trans proline' 0 C--N 1.356 0.926 0 C-N-CA 121.845 1.696 . . . . 10.0 111.921 179.36 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 499' ' ' LEU . . . . . 0.512 ' HB2' ' O ' ' D' ' 495' ' ' LYS . 29.8 mt -68.24 -32.05 71.97 Favored 'General case' 0 CA--C 1.517 -0.314 0 C-N-CA 121.016 -0.274 . . . . 10.0 111.073 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -66.33 -46.94 74.73 Favored Glycine 0 N--CA 1.451 -0.351 0 N-CA-C 110.153 -1.179 . . . . 10.0 110.153 178.604 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -62.42 -39.55 93.66 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.206 -0.665 . . . . 10.0 109.206 178.223 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 502' ' ' GLU . . . . . 0.567 ' HG2' ' HE ' ' D' ' 506' ' ' ARG . 32.5 tt0 -67.21 -47.03 72.09 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.285 -0.87 . . . . 10.0 110.342 179.54 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 503' ' ' MET . . . . . 0.629 ' HA ' ' HD2' ' D' ' 506' ' ' ARG . 77.2 mmm -59.69 -40.0 86.42 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.781 179.697 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 61.8 mtt180 -68.94 -37.65 79.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.061 178.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 505' ' ' ASP . . . . . 0.407 ' HA ' ' HD2' ' D' ' 508' ' ' ARG . 0.5 OUTLIER -68.39 -37.14 80.1 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 109.343 -0.614 . . . . 10.0 109.343 178.583 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 506' ' ' ARG . . . . . 0.629 ' HD2' ' HA ' ' D' ' 503' ' ' MET . 45.2 mtt180 -63.47 -45.54 90.31 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 107.425 -1.324 . . . . 10.0 107.425 177.322 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -60.38 -41.11 93.09 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 115.486 -0.779 . . . . 10.0 109.652 179.175 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 508' ' ' ARG . . . . . 0.407 ' HD2' ' HA ' ' D' ' 505' ' ' ASP . 77.8 mtt180 -59.86 -44.98 93.85 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.197 -0.668 . . . . 10.0 109.197 178.466 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 509' ' ' ALA . . . . . 0.652 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -63.85 -35.08 79.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.634 -0.712 . . . . 10.0 110.832 179.451 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -74.67 -50.82 16.24 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.046 -0.524 . . . . 10.0 110.202 179.293 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 511' ' ' VAL . . . . . 0.474 ' O ' ' HG3' ' D' ' 515' ' ' ARG . 77.9 t -61.51 -44.42 98.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.403 -0.362 . . . . 10.0 110.723 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 512' ' ' ASP . . . . . 0.689 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 29.2 t70 -63.75 -34.31 77.59 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 121.115 0.483 . . . . 10.0 110.224 179.738 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -68.65 -49.66 57.32 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.55 -0.907 . . . . 10.0 108.55 177.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 514' ' ' LEU . . . . . 0.604 ' HA ' ' HB2' ' D' ' 517' ' ' HIS . 91.7 mt -58.29 -25.62 62.04 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.77 -0.65 . . . . 10.0 111.212 179.419 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 515' ' ' ARG . . . . . 0.689 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 90.4 mtt180 -62.73 -38.54 90.92 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-O 121.187 0.517 . . . . 10.0 110.034 178.757 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -100.3 -5.14 27.89 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.978 -0.555 . . . . 10.0 110.953 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 517' ' ' HIS . . . . . 0.604 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 20.7 m170 -98.93 -44.81 6.2 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.114 -0.494 . . . . 10.0 112.096 -179.578 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 84.0 mt -95.3 -47.72 6.2 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 113.235 0.828 . . . . 10.0 113.235 -177.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 519' ' ' ALA . . . . . 0.621 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -54.26 -59.02 11.18 Favored Pre-proline 0 CA--C 1.535 0.399 0 N-CA-C 113.676 0.991 . . . . 10.0 113.676 -178.778 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 520' ' ' PRO . . . . . 0.621 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 31.1 Cg_exo -62.32 -36.09 69.61 Favored 'Trans proline' 0 C--N 1.354 0.846 0 C-N-CA 121.772 1.648 . . . . 10.0 111.029 179.31 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 521' ' ' TYR . . . . . 0.467 ' HA ' ' OE1' ' D' ' 524' ' ' GLU . 24.2 t80 -66.8 -32.99 74.63 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.583 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 522' ' ' SER . . . . . 0.521 ' O ' ' HG3' ' D' ' 526' ' ' ARG . 67.1 m -65.84 -36.96 84.91 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.504 -0.554 . . . . 10.0 109.504 178.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 523' ' ' ASP . . . . . 0.436 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 10.1 t70 -70.44 -34.97 73.06 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.214 -0.661 . . . . 10.0 109.214 178.664 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 524' ' ' GLU . . . . . 0.467 ' OE1' ' HA ' ' D' ' 521' ' ' TYR . 74.8 mt-10 -68.84 -36.52 78.28 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 107.957 -1.127 . . . . 10.0 107.957 177.403 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 29.9 mt -65.85 -36.77 84.37 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.311 -0.859 . . . . 10.0 108.996 177.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 526' ' ' ARG . . . . . 0.521 ' HG3' ' O ' ' D' ' 522' ' ' SER . 77.9 mtt180 -58.93 -41.78 88.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.069 179.041 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -61.46 -45.17 95.37 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.189 0.519 . . . . 10.0 109.627 178.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 528' ' ' ARG . . . . . 0.654 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 89.5 mtt180 -66.55 -42.47 87.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.65 -0.705 . . . . 10.0 109.819 179.24 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 77.2 mt -64.75 -34.79 79.18 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.36 -0.382 . . . . 10.0 110.132 179.239 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 530' ' ' ALA . . . . . 0.488 ' O ' ' HB2' ' D' ' 534' ' ' GLU . . . -64.65 -42.65 95.27 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.587 -0.524 . . . . 10.0 109.587 178.735 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -72.08 -34.28 68.57 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-O 121.194 0.521 . . . . 10.0 109.981 178.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 16.5 ttm180 -67.53 -48.41 67.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.912 -0.586 . . . . 10.0 109.733 178.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 533' ' ' LEU . . . . . 0.663 HD23 HD12 ' D' ' 536' ' ' LEU . 83.8 mt -68.81 -24.93 64.45 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.893 -0.594 . . . . 10.0 109.42 178.686 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 534' ' ' GLU . . . . . 0.488 ' HB2' ' O ' ' D' ' 530' ' ' ALA . 12.9 tt0 -64.1 -46.05 85.92 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 108.244 -1.021 . . . . 10.0 108.244 178.471 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -64.3 -39.58 94.2 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.015 -0.735 . . . . 10.0 109.015 178.22 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 536' ' ' LEU . . . . . 0.663 HD12 HD23 ' D' ' 533' ' ' LEU . 91.7 mt -66.19 -28.11 68.5 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.577 -0.738 . . . . 10.0 110.736 179.501 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 43.5 mtmt -81.94 -44.87 16.17 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.818 -0.438 . . . . 10.0 109.818 178.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -62.17 -56.05 22.6 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.861 -0.609 . . . . 10.0 109.863 179.344 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -70.05 -27.91 65.03 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.856 -0.611 . . . . 10.0 109.664 179.366 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -64.76 -44.58 94.6 Favored Glycine 0 N--CA 1.446 -0.655 0 N-CA-C 110.329 -1.108 . . . . 10.0 110.329 178.534 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -63.63 -37.44 94.74 Favored Glycine 0 N--CA 1.45 -0.384 0 N-CA-C 110.392 -1.083 . . . . 10.0 110.392 178.604 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -67.2 -42.72 83.69 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.351 -0.611 . . . . 10.0 109.351 178.265 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 543' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' D' ' 543' ' ' ARG . 49.6 mtt85 -60.11 -40.06 88.38 Favored 'General case' 0 C--O 1.222 -0.381 0 CA-C-N 115.418 -0.81 . . . . 10.0 109.978 178.446 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 87.8 mt -63.1 -43.87 97.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.802 0.334 . . . . 10.0 110.304 179.346 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -62.48 -45.58 92.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.981 -0.554 . . . . 10.0 109.565 178.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 546' ' ' GLU . . . . . 0.591 ' O ' ' HD2' ' D' ' 550' ' ' LYS . 28.2 mt-10 -63.87 -46.31 85.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.542 -0.754 . . . . 10.0 110.246 178.756 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -55.59 -44.84 77.3 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.317 -0.401 . . . . 10.0 110.271 179.44 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -66.03 -42.4 89.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.272 -0.422 . . . . 10.0 110.722 179.264 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -64.28 -45.49 87.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.805 -0.634 . . . . 10.0 110.211 179.333 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 550' ' ' LYS . . . . . 0.591 ' HD2' ' O ' ' D' ' 546' ' ' GLU . 0.0 OUTLIER -68.62 -34.74 76.28 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.211 -0.449 . . . . 10.0 110.363 179.655 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -62.93 -44.67 95.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.186 179.51 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -67.06 -43.84 81.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.07 -0.513 . . . . 10.0 110.368 179.716 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -60.74 -48.59 81.12 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 109.584 -0.524 . . . . 10.0 109.584 178.181 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -59.05 -51.82 68.42 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.533 -0.758 . . . . 10.0 109.783 179.411 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 46.8 tp -57.81 -39.99 78.91 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.45 -0.341 . . . . 10.0 110.977 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 50.7 m -61.73 -46.63 88.79 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 109.781 -0.452 . . . . 10.0 109.781 179.273 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 557' ' ' THR . . . . . 0.457 ' HA ' ' HB3' ' D' ' 560' ' ' GLU . 41.0 p -73.89 -19.84 60.59 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 120.943 0.402 . . . . 10.0 111.294 179.392 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 36.9 mt -74.77 -53.71 8.68 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.161 -0.681 . . . . 10.0 109.161 178.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 5.5 m -65.16 -29.34 70.16 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.547 -0.538 . . . . 10.0 109.547 178.56 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 560' ' ' GLU . . . . . 0.457 ' HB3' ' HA ' ' D' ' 557' ' ' THR . 3.1 tt0 -58.46 -33.58 69.9 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.209 -0.905 . . . . 10.0 110.247 178.737 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 561' ' ' LYS . . . . . 0.843 ' HE2' ' HA ' ' A' ' 213' ' ' THR . 49.4 mttp -99.46 -33.12 10.8 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 116.009 -0.542 . . . . 10.0 110.806 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -52.57 -44.92 66.21 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.281 -0.418 . . . . 10.0 111.931 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -64.68 -62.34 5.09 Favored Pre-proline 0 CA--C 1.537 0.444 0 N-CA-C 112.891 0.7 . . . . 10.0 112.891 -179.471 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -60.15 -36.34 89.02 Favored 'Trans proline' 0 C--N 1.355 0.883 0 C-N-CA 121.955 1.77 . . . . 10.0 112.317 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 565' ' ' ALA . . . . . 0.525 ' O ' ' HG ' ' D' ' 569' ' ' LEU . . . -66.08 -47.74 73.27 Favored 'General case' 0 C--O 1.224 -0.252 0 N-CA-C 110.025 -0.361 . . . . 10.0 110.025 179.169 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 566' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' D' ' 566' ' ' LEU . 16.7 mt -62.05 -40.11 94.67 Favored 'General case' 0 CA--C 1.52 -0.197 0 N-CA-C 110.012 -0.366 . . . . 10.0 110.012 179.52 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -62.44 -48.09 81.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.309 -0.405 . . . . 10.0 110.126 179.247 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.31 -39.58 94.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.173 179.548 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 569' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' D' ' 565' ' ' ALA . 67.8 mt -63.23 -49.44 74.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.019 178.806 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 570' ' ' ARG . . . . . 0.668 ' O ' ' HG ' ' D' ' 574' ' ' LEU . 87.5 mtt180 -61.46 -53.51 55.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.87 0.367 . . . . 10.0 110.39 179.472 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -62.76 -19.5 64.04 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.755 -0.657 . . . . 10.0 111.632 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -90.06 -34.19 8.38 Favored Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 111.069 -0.812 . . . . 10.0 111.069 178.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 573' ' ' LEU . . . . . 0.728 ' HA ' HG12 ' D' ' 576' ' ' VAL . 67.5 mt -72.39 -34.14 67.7 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 122.207 0.203 . . . . 10.0 110.825 179.431 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 574' ' ' LEU . . . . . 0.668 ' HG ' ' O ' ' D' ' 570' ' ' ARG . 73.5 mt -49.49 -59.55 6.46 Favored Pre-proline 0 CA--C 1.536 0.436 0 N-CA-C 112.714 0.635 . . . . 10.0 112.714 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 575' ' ' PRO . . . . . 0.596 ' HD3' ' HB2' ' D' ' 574' ' ' LEU . 72.0 Cg_endo -77.09 -35.56 1.72 Allowed 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 121.846 1.697 . . . . 10.0 112.274 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 576' ' ' VAL . . . . . 0.728 HG12 ' HA ' ' D' ' 573' ' ' LEU . 0.4 OUTLIER -63.42 -36.93 78.11 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.078 0 C-N-CA 120.951 -0.3 . . . . 10.0 111.642 -179.277 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 30.1 mt -66.06 -38.2 87.72 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 109.766 -0.457 . . . . 10.0 109.766 179.015 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 578' ' ' GLU . . . . . 0.411 ' O ' HG23 ' D' ' 582' ' ' VAL . 52.3 mm-40 -64.41 -47.5 78.92 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.972 -0.558 . . . . 10.0 109.517 179.117 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 16.2 m -60.51 -38.86 85.75 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.044 -0.525 . . . . 10.0 110.125 178.675 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 5.0 m-30 -67.28 -39.56 86.05 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.282 178.615 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 83.2 mttt -62.69 -45.43 92.83 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 109.835 -0.431 . . . . 10.0 109.835 178.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 582' ' ' VAL . . . . . 0.411 HG23 ' O ' ' D' ' 578' ' ' GLU . 84.1 t -58.71 -47.17 89.77 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 CA-C-N 115.73 -0.668 . . . . 10.0 110.44 179.055 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 1.3 p -66.16 -35.64 81.01 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.659 -0.246 . . . . 10.0 111.172 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -67.3 -44.29 79.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.025 0.44 . . . . 10.0 110.28 178.646 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 63.7 mt -62.14 -46.99 86.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.812 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 2.6 p -64.83 -31.96 73.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.036 0.446 . . . . 10.0 110.535 179.243 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 587' ' ' ALA . . . . . 0.746 ' HA ' ' HE2' ' A' ' 396' ' ' LYS . . . -71.05 -52.15 21.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.523 179.215 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 96.3 mt -58.52 -42.38 87.58 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.0 -0.546 . . . . 10.0 111.451 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -61.94 -54.21 44.98 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.371 -0.377 . . . . 10.0 111.081 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -63.76 -36.2 83.1 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.43 -0.35 . . . . 10.0 111.5 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 3.0 m-30 -62.11 -45.15 94.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.933 0.397 . . . . 10.0 110.407 178.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 22.8 m -68.87 -28.15 66.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 10.0 111.254 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -73.38 -40.49 64.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.98 0.419 . . . . 10.0 110.612 179.286 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 9.8 mptt -77.47 -52.39 9.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.291 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 64.9 mt -87.76 65.27 8.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.183 0.516 . . . . 10.0 110.397 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 . . . . . 0 C--N 1.326 -0.431 0 CA-C-N 115.796 -0.638 . . . . 10.0 110.724 -179.728 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 8.2 m . . . . . 0 N--CA 1.455 -0.193 0 CA-C-O 120.681 0.277 . . . . 10.0 110.579 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 1.4 m -77.84 120.89 23.37 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.935 0.398 . . . . 10.0 110.384 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.426 ' HA ' ' HB3' ' B' ' 52' ' ' LEU . 22.0 tt0 -79.65 141.8 36.15 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.048 -0.524 . . . . 10.0 110.375 -179.553 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -137.86 107.75 6.31 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.665 0.269 . . . . 10.0 110.285 179.273 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.552 ' HA ' ' HB3' ' B' ' 54' ' ' ASP . 44.9 mttm -78.49 112.91 16.03 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.994 -0.548 . . . . 10.0 111.037 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.827 HD12 HG12 ' B' ' 55' ' ' ILE . 6.0 mt -111.28 122.51 48.04 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.899 -0.592 . . . . 10.0 110.622 -179.143 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 42.2 t -111.34 117.73 55.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 109.801 -0.444 . . . . 10.0 109.801 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 11.4 t -84.84 122.49 38.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 109.438 -0.579 . . . . 10.0 109.438 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 17.4 m -117.82 166.68 11.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 120.778 0.323 . . . . 10.0 111.457 -179.39 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 138.95 -176.32 20.99 Favored Glycine 0 N--CA 1.444 -0.796 0 N-CA-C 111.045 -0.822 . . . . 10.0 111.045 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -88.37 -171.17 3.25 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.704 0.288 . . . . 10.0 110.405 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.67 156.6 18.92 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.099 0.476 . . . . 10.0 111.116 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 79.83 -15.43 15.11 Favored Glycine 0 N--CA 1.446 -0.677 0 CA-C-N 115.903 -0.589 . . . . 10.0 114.442 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.559 HG23 ' HG3' ' B' ' 16' ' ' LYS . 32.6 m -65.88 -25.74 36.93 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 CA-C-N 117.695 0.747 . . . . 10.0 112.523 -178.788 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 97.6 31.63 6.65 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.695 -0.764 . . . . 10.0 113.15 179.013 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.559 ' HG3' HG23 ' B' ' 14' ' ' VAL . 50.9 mtpt -55.28 -57.87 10.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.923 0.392 . . . . 10.0 110.538 179.729 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.81 -36.51 82.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.579 -0.737 . . . . 10.0 111.535 -179.164 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.96 -39.48 78.21 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 120.757 0.313 . . . . 10.0 110.436 179.288 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 64.7 mt -65.18 -42.44 93.63 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.76 178.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.12 -44.81 78.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 10.0 110.625 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 79.8 mt -59.09 -37.35 67.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.862 -0.608 . . . . 10.0 111.207 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' GLN . . . . . 0.627 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 0.0 OUTLIER -68.84 -17.9 64.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.368 -0.378 . . . . 10.0 111.943 179.732 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 3.3 tp -99.89 -28.45 13.11 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.051 0.453 . . . . 10.0 110.754 179.329 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 49.1 mm -84.68 -54.72 8.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.02 -0.536 . . . . 10.0 111.5 -179.658 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -99.39 -11.48 21.12 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.251 -0.432 . . . . 10.0 111.256 -179.105 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' ASN . . . . . 0.627 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 0.5 OUTLIER 63.3 42.78 6.65 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.021 -0.536 . . . . 10.0 112.211 179.071 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 8.0 p-80 -151.05 159.74 44.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.356 -0.384 . . . . 10.0 110.888 179.359 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -97.83 139.5 33.59 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.984 0.421 . . . . 10.0 111.269 -179.272 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 3.4 m -100.96 116.48 44.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.339 179.223 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -80.67 -25.92 37.92 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.938 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -85.71 130.45 34.56 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.105 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' TYR . . . . . 0.738 ' CE1' H5'2 ' B' ' 201' ' ' GSP . 1.1 t80 -82.34 114.18 20.63 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 109.904 -0.406 . . . . 10.0 109.904 179.72 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 33' ' ' ASP . . . . . 0.452 ' HA ' ' HD3' ' B' ' 34' ' ' PRO . 4.5 t70 -111.36 123.0 36.07 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.966 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 34' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' B' ' 33' ' ' ASP . 16.0 Cg_exo -69.7 80.83 0.84 Allowed 'Trans proline' 0 N--CA 1.46 -0.475 0 C-N-CA 122.547 2.165 . . . . 10.0 110.837 179.191 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.44 102.18 3.13 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.477 179.662 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.638 ' HA ' ' HB2' ' B' ' 59' ' ' ALA . 46.5 mm -80.81 -49.7 18.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 123.411 0.445 . . . . 10.0 110.688 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -153.1 101.89 2.6 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.911 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -142.51 146.18 34.44 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.314 -0.624 . . . . 10.0 109.314 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' SER . . . . . 0.552 ' HB3' HD12 ' B' ' 56' ' ' LEU . 1.9 p -134.27 153.53 51.81 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 111.996 0.369 . . . . 10.0 111.996 -179.034 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -138.99 137.43 36.35 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.002 -0.545 . . . . 10.0 110.094 -179.348 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.522 ' HA ' ' O ' ' B' ' 53' ' ' LEU . 1.0 OUTLIER -111.15 121.22 44.75 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.649 0.261 . . . . 10.0 110.61 -179.913 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 55.3 tttp -129.46 121.99 28.4 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.783 0.325 . . . . 10.0 111.065 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -93.87 120.26 33.89 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.156 -0.683 . . . . 10.0 109.156 179.231 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 2.8 m -138.71 165.74 23.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.397 -0.365 . . . . 10.0 111.414 -178.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 44.9 t -100.49 107.91 22.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.374 -0.602 . . . . 10.0 109.374 179.27 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 12.0 mt -124.82 130.28 73.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.372 -0.377 . . . . 10.0 110.519 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 60.41 24.02 13.57 Favored 'General case' 0 N--CA 1.464 0.27 0 O-C-N 123.654 0.596 . . . . 10.0 112.168 179.327 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 86.32 9.83 75.39 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.998 -0.62 . . . . 10.0 113.004 179.583 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -123.72 142.62 50.9 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.787 0.327 . . . . 10.0 111.239 -179.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 3.9 m -83.61 105.76 14.79 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 107.657 -1.238 . . . . 10.0 107.657 178.078 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 5.5 m -102.37 142.54 33.42 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 112.409 0.522 . . . . 10.0 112.409 -177.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.426 ' HB3' ' HA ' ' B' ' 3' ' ' GLU . 67.9 tp -105.11 99.21 8.83 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.078 -1.082 . . . . 10.0 108.078 178.099 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 53' ' ' LEU . . . . . 0.622 HD22 HD11 ' B' ' 6' ' ' LEU . 42.1 mt -75.59 116.74 16.62 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 112.824 0.676 . . . . 10.0 112.824 -178.189 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 54' ' ' ASP . . . . . 0.552 ' HB3' ' HA ' ' B' ' 5' ' ' LYS . 39.4 t0 -105.27 79.79 1.52 Allowed 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 107.419 -1.326 . . . . 10.0 107.419 178.119 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 55' ' ' ILE . . . . . 0.827 HG12 HD12 ' B' ' 6' ' ' LEU . 0.8 OUTLIER -91.17 141.89 13.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.718 -0.674 . . . . 10.0 112.299 -176.941 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.552 HD12 ' HB3' ' B' ' 39' ' ' SER . 3.3 tt -141.33 131.49 24.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.75 -0.659 . . . . 10.0 110.44 179.588 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 57' ' ' ASP . . . . . 0.415 ' OD1' ' HE2' ' B' ' 16' ' ' LYS . 18.0 t0 -97.37 132.52 43.01 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 109.862 -0.421 . . . . 10.0 109.862 178.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 22.0 p -100.69 163.81 12.16 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.01 -0.541 . . . . 10.0 111.19 -178.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' ALA . . . . . 0.638 ' HB2' ' HA ' ' B' ' 36' ' ' ILE . . . -80.45 115.7 20.12 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.775 0.321 . . . . 10.0 110.514 179.54 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -86.62 39.32 3.08 Favored Glycine 0 CA--C 1.52 0.378 0 C-N-CA 120.747 -0.739 . . . . 10.0 112.707 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -111.8 13.11 21.01 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.489 0.185 . . . . 10.0 111.366 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.471 ' HB3' ' H ' ' B' ' 63' ' ' GLU . 39.7 mm-40 59.99 -161.09 0.28 Allowed 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.269 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.471 ' H ' ' HB3' ' B' ' 62' ' ' GLU . 3.7 mm-40 71.78 -39.14 0.44 Allowed 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 113.469 0.914 . . . . 10.0 113.469 179.077 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -77.11 44.45 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 111.984 0.365 . . . . 10.0 111.984 -179.308 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.33 -37.46 87.36 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.486 -0.325 . . . . 10.0 110.533 179.635 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.79 -39.24 90.75 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.648 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 90.4 mtp -77.53 -23.32 50.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.613 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' ARG . . . . . 0.716 ' HB3' HE22 ' B' ' 99' ' ' GLN . 5.5 ttp180 -61.34 -43.56 98.67 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.58 -0.736 . . . . 10.0 111.974 -179.342 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -65.09 -26.36 68.19 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.688 0.28 . . . . 10.0 111.092 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -65.51 -63.86 1.0 Allowed 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.332 0.493 . . . . 10.0 112.332 -178.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 71' ' ' TYR . . . . . 0.689 ' CZ ' ' HA ' ' B' ' 68' ' ' ARG . 4.3 p90 -66.92 -19.7 65.77 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 112.881 0.697 . . . . 10.0 112.881 -178.743 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 72' ' ' MET . . . . . 0.613 ' HE2' HG13 ' B' ' 100' ' ' ILE . 42.5 mtt -70.73 -25.79 63.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.191 0.519 . . . . 10.0 110.5 179.155 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 41.9 ttm105 -79.95 -43.76 21.5 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.786 -0.643 . . . . 10.0 110.459 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -75.84 -28.13 58.1 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.946 -0.57 . . . . 10.0 111.833 -179.405 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -70.02 137.44 28.27 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.65 -0.786 . . . . 10.0 113.538 -178.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -97.49 -45.1 6.56 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.077 0.465 . . . . 10.0 109.942 179.259 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 77' ' ' GLY . . . . . 0.4 ' HA3' HD11 ' B' ' 163' ' ' ILE . . . -121.98 137.06 11.29 Favored Glycine 0 N--CA 1.448 -0.507 0 N-CA-C 110.554 -1.018 . . . . 10.0 110.554 179.069 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 78' ' ' PHE . . . . . 0.423 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 93.2 m-85 -115.91 124.75 51.39 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.475 0.655 . . . . 10.0 111.716 -179.018 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.46 HD11 HG21 ' B' ' 114' ' ' VAL . 19.7 tp -96.85 108.89 21.66 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.476 -0.784 . . . . 10.0 110.186 -179.551 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 80' ' ' CYS . . . . . 0.432 ' HB3' HD12 ' B' ' 93' ' ' ILE . 18.6 m -87.23 102.27 14.32 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.902 -0.407 . . . . 10.0 109.902 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 66.2 t -107.54 132.88 53.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.129 0.49 . . . . 10.0 111.306 -178.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 33.0 p90 -139.97 163.48 32.57 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.723 -0.671 . . . . 10.0 109.544 179.05 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.596 ' HB3' ' HB3' ' B' ' 86' ' ' ASN . . . -97.92 131.85 44.02 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.867 -0.42 . . . . 10.0 109.867 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 84' ' ' ILE . . . . . 0.642 HD13 ' HA ' ' B' ' 118' ' ' CYS . 29.5 pt -64.84 -18.24 23.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 112.339 0.496 . . . . 10.0 112.339 -178.81 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 15.7 p-10 -107.63 12.79 27.26 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 121.253 0.549 . . . . 10.0 110.885 179.136 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.596 ' HB3' ' HB3' ' B' ' 83' ' ' ALA . 18.0 t-20 -131.2 90.61 2.9 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.453 -0.794 . . . . 10.0 109.473 179.637 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -65.17 -25.31 67.67 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.145 -0.48 . . . . 10.0 112.063 -178.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 25.7 tptp -58.69 -48.64 80.42 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.281 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 78.5 p -66.21 -26.34 67.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.076 -0.511 . . . . 10.0 111.347 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -67.96 -36.9 80.87 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.205 -0.452 . . . . 10.0 110.96 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -73.81 -34.99 64.83 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.83 0.348 . . . . 10.0 110.708 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -61.62 -22.88 65.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.779 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 93' ' ' ILE . . . . . 0.432 HD12 ' HB3' ' B' ' 80' ' ' CYS . 50.4 mm -58.83 -36.43 61.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.315 -0.402 . . . . 10.0 110.728 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 64.5 t60 -70.89 -45.03 65.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.756 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -60.18 -44.86 94.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.299 -0.409 . . . . 10.0 111.24 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -63.93 -46.83 82.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.08 -0.509 . . . . 10.0 109.875 178.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 17.3 ttt180 -54.82 -46.69 74.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.425 -0.807 . . . . 10.0 111.492 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -65.06 -31.75 73.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.026 -0.534 . . . . 10.0 112.328 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 99' ' ' GLN . . . . . 0.716 HE22 ' HB3' ' B' ' 68' ' ' ARG . 32.3 tt0 -74.7 -44.64 49.06 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 121.044 -0.262 . . . . 10.0 110.978 179.617 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 100' ' ' ILE . . . . . 0.613 HG13 ' HE2' ' B' ' 72' ' ' MET . 77.9 mt -55.58 -47.06 79.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.355 0.597 . . . . 10.0 109.898 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -70.28 -17.11 63.09 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.536 -0.757 . . . . 10.0 112.266 -179.302 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 8.5 tmm_? -85.41 -43.26 13.78 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.654 -0.499 . . . . 10.0 109.654 178.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 103' ' ' VAL . . . . . 0.455 HG23 ' O ' ' B' ' 99' ' ' GLN . 54.9 t -65.6 -43.68 93.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.406 179.352 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -87.64 -7.28 57.65 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.348 -179.655 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 30.4 t70 48.23 66.96 0.92 Allowed 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 112.899 0.703 . . . . 10.0 112.899 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 40.5 t -166.15 150.15 7.76 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.869 -0.605 . . . . 10.0 110.002 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -97.4 -4.16 38.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.94 0.4 . . . . 10.0 110.718 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -113.82 86.98 2.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.07 -0.514 . . . . 10.0 110.769 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 58.7 t -121.74 132.11 24.3 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.312 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -64.62 101.92 0.39 Allowed 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.932 2.421 . . . . 10.0 111.771 179.44 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 111' ' ' MET . . . . . 0.423 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 54.1 mtm -134.09 141.47 47.17 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.149 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 92.0 t -127.26 132.21 69.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 109.589 -0.522 . . . . 10.0 109.589 179.215 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 19.6 tp -90.4 118.33 29.8 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.103 -0.703 . . . . 10.0 109.103 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 114' ' ' VAL . . . . . 0.46 HG21 HD11 ' B' ' 79' ' ' LEU . 68.9 t -117.59 120.91 66.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.146 0.498 . . . . 10.0 111.815 -178.339 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -91.56 117.65 5.26 Favored Glycine 0 N--CA 1.444 -0.817 0 N-CA-C 109.437 -1.465 . . . . 10.0 109.437 178.162 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -100.5 160.49 14.31 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 112.388 0.514 . . . . 10.0 112.388 -178.322 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 117' ' ' LYS . . . . . 0.619 ' HE2' ' C4 ' ' B' ' 201' ' ' GSP . 82.6 mttt 64.11 36.18 9.88 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 114.858 -1.064 . . . . 10.0 111.866 179.057 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 118' ' ' CYS . . . . . 0.642 ' HA ' HD13 ' B' ' 84' ' ' ILE . 91.3 m -67.69 -9.16 41.13 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.485 0.55 . . . . 10.0 112.485 -179.689 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.68 -17.37 51.37 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.636 0.255 . . . . 10.0 110.694 179.577 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 120' ' ' LEU . . . . . 0.63 HD11 ' N2 ' ' B' ' 201' ' ' GSP . 89.4 mt -80.85 141.59 51.42 Favored Pre-proline 0 C--N 1.332 -0.186 0 CA-C-N 116.187 -0.46 . . . . 10.0 111.169 -179.742 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -87.13 174.4 5.33 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 122.543 2.162 . . . . 10.0 111.56 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 36.3 m 58.26 51.97 7.89 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.333 0.587 . . . . 10.0 112.051 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 123' ' ' ARG . . . . . 0.502 ' HB3' HD12 ' B' ' 84' ' ' ILE . 11.9 ptp180 -76.16 148.51 37.73 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.775 -0.648 . . . . 10.0 110.741 179.729 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 16.9 p -96.28 -35.1 11.36 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.016 0.436 . . . . 10.0 110.076 179.564 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 40.8 t -96.71 110.82 25.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.051 -0.522 . . . . 10.0 109.841 179.012 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 126' ' ' ASP . . . . . 0.506 ' O ' ' HG2' ' B' ' 129' ' ' GLN . 2.0 t70 -78.58 159.49 28.09 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.943 -0.391 . . . . 10.0 109.943 179.632 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.13 -49.67 76.32 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 112.935 0.716 . . . . 10.0 112.935 -178.548 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 128' ' ' LYS . . . . . 0.639 ' HB2' ' HA ' ' C' ' 47' ' ' ASP . 0.0 OUTLIER -56.47 -39.59 73.46 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 113.719 1.007 . . . . 10.0 113.719 -178.743 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 129' ' ' GLN . . . . . 0.506 ' HG2' ' O ' ' B' ' 126' ' ' ASP . 17.4 pt20 -67.97 -27.45 66.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.032 0.444 . . . . 10.0 111.666 -178.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -88.15 -36.6 16.76 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.571 -0.529 . . . . 10.0 109.571 179.15 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -67.25 -46.3 74.14 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 115.831 -0.622 . . . . 10.0 111.909 -179.355 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -61.95 -42.17 98.81 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.948 0.404 . . . . 10.0 110.579 179.343 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 133' ' ' LEU . . . . . 0.429 HD12 ' HA ' ' B' ' 133' ' ' LEU . 10.9 tp -63.0 -47.6 82.42 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.012 -0.54 . . . . 10.0 110.376 179.737 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.81 -37.9 89.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.5 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 135' ' ' ARG . . . . . 0.488 ' HD3' ' HB2' ' C' ' 165' ' ' LYS . 5.5 tmm_? -63.27 -38.75 92.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.62 -0.718 . . . . 10.0 110.225 179.355 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 21.9 t -65.82 -42.97 89.93 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.86 -0.609 . . . . 10.0 111.232 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -75.72 -35.4 60.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.336 -0.393 . . . . 10.0 111.841 -179.409 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 102.27 35.48 3.88 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.786 -0.721 . . . . 10.0 112.154 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 139' ' ' ILE . . . . . 0.405 ' HA ' ' HD3' ' B' ' 140' ' ' PRO . 34.3 pt -121.99 148.57 51.81 Favored Pre-proline 0 C--N 1.326 -0.431 0 N-CA-C 110.224 -0.287 . . . . 10.0 110.224 179.549 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 140' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' B' ' 139' ' ' ILE . 7.4 Cg_exo -74.82 149.94 38.35 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 122.831 2.354 . . . . 10.0 111.735 179.615 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -132.69 127.24 34.37 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.009 -0.541 . . . . 10.0 109.949 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 49.5 mt -134.29 134.13 55.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.562 -0.29 . . . . 10.0 110.738 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 143' ' ' GLU . . . . . 0.49 ' HB3' ' SG ' ' B' ' 118' ' ' CYS . 26.4 mt-10 -86.5 135.67 33.37 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.6 -0.889 . . . . 10.0 108.6 177.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 20.3 p -132.72 162.31 31.75 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.159 0.8 . . . . 10.0 113.159 -178.087 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 29.1 t -154.85 103.62 2.44 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.099 -1.075 . . . . 10.0 108.099 178.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 146' ' ' ALA . . . . . 0.474 ' HB1' ' HG3' ' B' ' 22' ' ' GLN . . . -64.74 -34.91 79.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.996 -0.547 . . . . 10.0 111.515 -179.125 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -61.21 -28.05 68.87 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.213 0.449 . . . . 10.0 112.213 -179.61 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 14.0 p -105.8 -3.7 21.69 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 121.124 -0.231 . . . . 10.0 111.307 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 149' ' ' ARG . . . . . 0.654 HH21 ' HB ' ' B' ' 152' ' ' VAL . 0.8 OUTLIER 57.11 37.47 28.57 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 121.233 0.54 . . . . 10.0 110.858 179.712 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -117.0 131.09 57.04 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.566 0.58 . . . . 10.0 112.566 -178.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 76.64 -8.75 26.09 Favored Glycine 0 C--N 1.333 0.363 0 N-CA-C 115.077 0.791 . . . . 10.0 115.077 177.292 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 152' ' ' VAL . . . . . 0.654 ' HB ' HH21 ' B' ' 149' ' ' ARG . 61.7 t -65.52 -43.27 94.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 117.462 0.631 . . . . 10.0 111.616 -178.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -62.06 -42.02 98.75 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.776 -0.453 . . . . 10.0 109.776 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -57.81 -43.33 85.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.187 -0.915 . . . . 10.0 111.999 -179.658 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -58.19 -45.7 87.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 10.0 111.42 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -69.01 -40.51 78.65 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.369 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 6.2 m-30 -65.33 -41.62 93.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 10.0 111.416 -179.628 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 35.0 m -66.22 -42.14 89.11 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.982 -0.554 . . . . 10.0 112.257 -179.527 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 62.6 tp -61.83 -42.09 98.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.683 0.278 . . . . 10.0 111.687 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 91.8 t -62.12 -39.37 83.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.341 0.591 . . . . 10.0 110.118 179.405 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 161' ' ' ARG . . . . . 0.404 ' HG2' ' HG3' ' C' ' 135' ' ' ARG . 9.9 ttp180 -62.39 -38.81 91.05 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.338 -0.846 . . . . 10.0 110.891 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -64.76 -37.33 87.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.298 -0.41 . . . . 10.0 111.086 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 163' ' ' ILE . . . . . 0.4 HD11 ' HA3' ' B' ' 77' ' ' GLY . 44.5 mt -69.64 -47.16 72.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 109.8 -0.445 . . . . 10.0 109.8 179.344 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 41.0 ttm105 -60.21 -38.19 82.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.606 -0.725 . . . . 10.0 109.541 179.013 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 165' ' ' LYS . . . . . 0.866 ' HG2' ' HD3' ' B' ' 169' ' ' LYS . 31.5 ttmt -66.4 -48.67 69.33 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.469 -0.787 . . . . 10.0 110.422 179.498 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -56.0 -49.03 74.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.996 -0.547 . . . . 10.0 111.584 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 35.7 mtpt -69.24 -42.11 76.1 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.478 0.547 . . . . 10.0 112.478 -178.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -64.0 -39.4 94.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.207 0.527 . . . . 10.0 110.465 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 169' ' ' LYS . . . . . 0.866 ' HD3' ' HG2' ' B' ' 165' ' ' LYS . 0.2 OUTLIER -85.43 6.07 28.29 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.99 -0.55 . . . . 10.0 112.133 -178.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 12.9 mmm -99.97 -20.34 16.14 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.008 0.373 . . . . 10.0 112.008 -179.688 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -81.68 -5.81 58.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.577 0.227 . . . . 10.0 111.344 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 6.4 mtpt -126.61 49.31 2.05 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.951 0.405 . . . . 10.0 111.126 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 173' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -98.31 -169.67 1.84 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.613 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . 75.04 39.29 38.04 Favored Glycine 0 N--CA 1.45 -0.431 0 N-CA-C 111.307 -0.717 . . . . 10.0 111.307 -179.323 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 175' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -92.33 138.19 31.73 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.163 0.506 . . . . 10.0 111.87 -179.129 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 176' ' ' LYS . . . . . . . . . . . . . 51.4 mttt -130.99 122.96 27.78 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.757 -0.656 . . . . 10.0 109.839 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 177' ' ' LYS . . . . . . . . . . . . . 7.9 tmtm? -103.78 -64.39 1.1 Allowed 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 121.141 -0.223 . . . . 10.0 111.253 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 178' ' ' LYS . . . . . 0.787 ' HG3' ' H ' ' B' ' 179' ' ' LYS . 3.6 tptm 66.61 -153.08 0.22 Allowed 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.285 -179.669 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 179' ' ' LYS . . . . . 0.787 ' H ' ' HG3' ' B' ' 178' ' ' LYS . 28.0 mtmt -141.6 -178.53 5.69 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 110.123 -0.325 . . . . 10.0 110.123 -179.697 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -101.56 173.48 6.41 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.695 -0.229 . . . . 10.0 110.788 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 47.2 m -135.73 -104.16 0.21 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.557 -0.292 . . . . 10.0 111.154 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 16.9 mtpp -145.87 47.37 1.25 Allowed 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.921 0.391 . . . . 10.0 111.523 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 183' ' ' THR . . . . . 0.465 ' CG2' H283 ' A' ' 403' ' ' PCW . 0.1 OUTLIER -112.82 -49.34 2.94 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.948 0.404 . . . . 10.0 110.933 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 184' ' ' LYS . . . . . 0.694 ' HB3' H162 ' A' ' 403' ' ' PCW . 58.9 tttp . . . . . 0 C--N 1.327 -0.388 0 CA-C-O 121.047 0.451 . . . . 10.0 111.04 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 CA-C-O 120.89 0.376 . . . . 10.0 111.284 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 2' ' ' THR . . . . . 0.618 ' HB ' ' CE2' ' C' ' 4' ' ' TYR . 0.3 OUTLIER -81.67 126.66 32.04 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.292 -0.413 . . . . 10.0 109.966 -179.378 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -90.52 132.59 35.6 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.382 -0.372 . . . . 10.0 110.844 -179.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 4' ' ' TYR . . . . . 0.618 ' CE2' ' HB ' ' C' ' 2' ' ' THR . 98.2 m-85 -128.44 106.54 9.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.51 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 5' ' ' LYS . . . . . 0.607 ' HA ' ' HB3' ' C' ' 54' ' ' ASP . 41.3 mttm -81.13 111.1 17.27 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.28 -0.418 . . . . 10.0 109.901 179.468 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 6' ' ' LEU . . . . . 0.464 ' O ' ' HA ' ' C' ' 55' ' ' ILE . 18.2 mt -113.27 125.65 54.54 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.897 -178.655 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 43.9 t -113.36 122.55 67.71 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 N-CA-C 109.942 -0.392 . . . . 10.0 109.942 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.726 HG12 ' HD2' ' C' ' 16' ' ' LYS . 3.0 t -87.38 114.92 27.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 108.987 -0.746 . . . . 10.0 108.987 179.622 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 9' ' ' VAL . . . . . 0.507 ' HB ' ' HD1' ' C' ' 96' ' ' TYR . 15.1 m -113.4 148.3 16.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.119 0.485 . . . . 10.0 111.425 -179.309 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 154.84 171.83 21.98 Favored Glycine 0 N--CA 1.444 -0.803 0 N-CA-C 111.16 -0.776 . . . . 10.0 111.16 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.66 -175.58 0.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.336 0.589 . . . . 10.0 112.181 -179.088 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.2 146.27 25.46 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.756 -0.657 . . . . 10.0 110.913 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 13' ' ' GLY . . . . . 0.719 ' HA2' H5'1 ' C' ' 201' ' ' GSP . . . 73.5 13.11 80.27 Favored Glycine 0 CA--C 1.523 0.543 0 CA-C-N 115.806 -0.634 . . . . 10.0 114.28 179.111 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 32.0 m -84.81 -25.56 6.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 112.788 0.662 . . . . 10.0 112.788 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 15' ' ' GLY . . . . . 0.647 ' HA2' ' C8 ' ' C' ' 201' ' ' GSP . . . 115.39 16.52 7.06 Favored Glycine 0 C--N 1.334 0.446 0 C-N-CA 120.297 -0.954 . . . . 10.0 114.418 179.341 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 16' ' ' LYS . . . . . 0.726 ' HD2' HG12 ' C' ' 8' ' ' VAL . 21.1 mtmm -59.54 -40.55 87.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.044 0.449 . . . . 10.0 112.053 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 17' ' ' SER . . . . . 0.499 ' HB2' ' PA ' ' C' ' 201' ' ' GSP . 43.2 m -75.51 -44.08 45.63 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 110.092 -0.336 . . . . 10.0 110.092 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.33 -49.91 68.64 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.881 -0.6 . . . . 10.0 111.661 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 78.2 mt -60.82 -45.38 94.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.398 -0.365 . . . . 10.0 111.493 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 14.6 m -66.32 -49.83 65.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.261 -0.427 . . . . 10.0 111.298 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 94.3 mt -60.38 -34.87 59.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.561 -0.29 . . . . 10.0 111.374 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 22' ' ' GLN . . . . . 0.695 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 2.8 mm-40 -61.58 -24.47 66.69 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.483 0.549 . . . . 10.0 112.483 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.779 HD21 ' HA ' ' C' ' 153' ' ' ASP . 7.6 mp -106.25 -28.43 10.43 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 111.686 0.254 . . . . 10.0 111.686 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 24' ' ' ILE . . . . . 0.439 HD11 HD12 ' C' ' 55' ' ' ILE . 43.6 mm -78.0 -57.34 5.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-O 120.791 0.329 . . . . 10.0 110.866 179.419 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -96.89 -14.77 21.57 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.36 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 26' ' ' ASN . . . . . 0.695 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 21.9 m-80 66.13 52.49 1.16 Allowed 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 113.87 1.063 . . . . 10.0 113.87 178.511 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -162.52 161.94 27.17 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.559 -0.291 . . . . 10.0 110.293 178.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 28' ' ' PHE . . . . . 0.435 ' HZ ' ' C2 ' ' C' ' 201' ' ' GSP . 42.4 t80 -101.63 137.6 39.73 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.939 0.4 . . . . 10.0 111.208 -179.632 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 11.1 m -97.44 128.28 48.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.202 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -94.36 -29.55 14.95 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.504 0.669 . . . . 10.0 109.295 179.29 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -80.17 138.9 36.95 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.48 -0.782 . . . . 10.0 110.626 -179.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -89.77 113.32 24.84 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.587 -179.526 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -127.61 108.47 20.76 Favored Pre-proline 0 C--N 1.321 -0.633 0 C-N-CA 120.928 -0.309 . . . . 10.0 111.008 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_exo -58.73 130.36 36.62 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 122.729 2.286 . . . . 10.0 111.498 179.177 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 35' ' ' THR . . . . . 0.501 ' CG2' ' HB2' ' C' ' 38' ' ' ASP . 2.2 m -104.46 123.63 47.82 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.494 -179.262 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 45.5 mm -83.82 -57.18 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.872 0.368 . . . . 10.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -161.74 78.84 0.55 Allowed 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.48 -0.563 . . . . 10.0 109.48 -179.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 38' ' ' ASP . . . . . 0.501 ' HB2' ' CG2' ' C' ' 35' ' ' THR . 0.1 OUTLIER -111.76 127.36 55.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.186 -179.196 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.06 149.46 30.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.978 -0.555 . . . . 10.0 111.391 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -137.7 141.76 41.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.708 -0.678 . . . . 10.0 109.483 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 41' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' C' ' 53' ' ' LEU . 1.7 mpp_? -115.57 130.05 56.73 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.732 0.301 . . . . 10.0 110.939 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 56.8 tttp -133.52 133.64 42.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -108.92 106.48 16.48 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.814 -0.439 . . . . 10.0 109.814 179.547 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 1.5 m -128.36 161.45 36.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 120.966 0.412 . . . . 10.0 111.21 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -93.81 106.88 18.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.312 179.143 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 68.1 mt -113.12 119.41 60.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.456 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 47' ' ' ASP . . . . . 0.664 ' HB2' HH12 ' C' ' 164' ' ' ARG . 19.7 m-20 63.24 32.23 15.03 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.159 -0.928 . . . . 10.0 111.431 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.68 -4.56 78.44 Favored Glycine 0 C--N 1.33 0.25 0 CA-C-N 115.753 -0.658 . . . . 10.0 113.035 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -110.57 133.53 53.22 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.653 0.263 . . . . 10.0 110.988 -178.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.41 125.92 27.98 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.274 -0.639 . . . . 10.0 109.274 178.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 17.3 m -123.76 131.69 53.65 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 112.396 0.517 . . . . 10.0 112.396 -178.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 41.5 tp -100.13 102.55 13.9 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 107.874 -1.158 . . . . 10.0 107.874 177.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 53' ' ' LEU . . . . . 0.408 ' O ' ' HA ' ' C' ' 41' ' ' ARG . 19.0 mt -86.17 127.6 34.75 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 113.186 0.809 . . . . 10.0 113.186 -177.41 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 54' ' ' ASP . . . . . 0.607 ' HB3' ' HA ' ' C' ' 5' ' ' LYS . 18.6 t0 -108.08 87.83 2.59 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 107.341 -1.355 . . . . 10.0 107.341 177.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 55' ' ' ILE . . . . . 0.464 ' HA ' ' O ' ' C' ' 6' ' ' LEU . 3.1 mt -93.55 147.25 5.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.038 -0.528 . . . . 10.0 112.028 -176.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 9.6 tp -147.62 130.02 15.75 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.372 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 57' ' ' ASP . . . . . 0.617 ' OD1' ' HE2' ' C' ' 16' ' ' LYS . 29.0 t0 -91.08 138.58 31.49 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 109.721 -0.474 . . . . 10.0 109.721 178.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 33.2 p -103.97 147.83 26.91 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.22 0.533 . . . . 10.0 111.792 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.81 103.32 5.84 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.733 -0.667 . . . . 10.0 109.769 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -82.99 22.51 6.75 Favored Glycine 0 C--O 1.228 -0.221 0 C-N-CA 121.199 -0.525 . . . . 10.0 113.081 -179.003 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -91.18 1.61 56.97 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.176 -0.676 . . . . 10.0 109.176 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 62' ' ' GLU . . . . . 0.462 ' HB3' ' H ' ' C' ' 63' ' ' GLU . 40.0 mm-40 67.77 -157.94 0.21 Allowed 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.401 -0.818 . . . . 10.0 111.444 -179.354 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 63' ' ' GLU . . . . . 0.462 ' H ' ' HB3' ' C' ' 62' ' ' GLU . 1.3 tt0 76.2 -24.3 0.22 Allowed 'General case' 0 N--CA 1.466 0.347 0 O-C-N 123.609 0.568 . . . . 10.0 111.582 -179.75 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 64' ' ' TYR . . . . . 0.599 ' HB3' ' HB3' ' C' ' 67' ' ' MET . 47.4 m-85 -96.13 79.87 3.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.528 -0.306 . . . . 10.0 110.532 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -78.11 -59.62 2.71 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.011 -0.54 . . . . 10.0 111.048 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.72 -35.48 65.09 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.85 -0.614 . . . . 10.0 111.981 -179.279 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 67' ' ' MET . . . . . 0.599 ' HB3' ' HB3' ' C' ' 64' ' ' TYR . 27.5 ttt -61.4 -35.58 77.91 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.153 0.501 . . . . 10.0 110.937 179.739 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 68' ' ' ARG . . . . . 0.645 ' O ' ' HG2' ' C' ' 72' ' ' MET . 13.4 ttp180 -65.72 -32.28 73.75 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.883 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.38 -23.83 67.43 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.318 -0.401 . . . . 10.0 111.344 -179.567 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -62.22 -58.88 6.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.478 -0.328 . . . . 10.0 111.655 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 71' ' ' TYR . . . . . 0.593 ' CE2' ' HA ' ' C' ' 68' ' ' ARG . 0.1 OUTLIER -72.45 -14.04 61.59 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.446 0.535 . . . . 10.0 112.446 -179.53 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 72' ' ' MET . . . . . 0.645 ' HG2' ' O ' ' C' ' 68' ' ' ARG . 19.3 mmt -69.43 -22.29 63.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.113 0.482 . . . . 10.0 110.538 179.227 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 73' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' C' ' 73' ' ' ARG . 68.6 mtt85 -86.12 -49.38 7.81 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.649 -179.323 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.34 -40.17 74.25 Favored 'General case' 0 C--O 1.238 0.45 0 O-C-N 123.348 0.405 . . . . 10.0 111.925 -179.247 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.73 135.38 38.23 Favored Glycine 0 C--N 1.333 0.376 0 O-C-N 123.579 0.549 . . . . 10.0 112.922 -179.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -100.9 -52.79 3.21 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.841 -0.429 . . . . 10.0 109.841 179.409 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 77' ' ' GLY . . . . . 0.444 ' HA2' ' HB2' ' C' ' 110' ' ' PRO . . . -102.11 124.71 8.29 Favored Glycine 0 N--CA 1.441 -0.998 0 N-CA-C 111.1 -0.8 . . . . 10.0 111.1 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 78' ' ' PHE . . . . . 0.459 ' HB2' ' HG3' ' C' ' 111' ' ' MET . 96.9 m-85 -105.6 122.59 46.35 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.414 0.626 . . . . 10.0 111.513 -179.511 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 79' ' ' LEU . . . . . 0.533 HD23 HG13 ' C' ' 8' ' ' VAL . 18.5 tp -96.66 97.65 9.54 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.452 -0.794 . . . . 10.0 109.66 -179.676 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 80' ' ' CYS . . . . . 0.776 ' HB3' HD12 ' C' ' 93' ' ' ILE . 79.4 m -79.67 101.32 8.31 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.959 0.409 . . . . 10.0 110.294 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 62.0 t -106.73 129.49 60.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.857 -0.61 . . . . 10.0 111.554 -179.465 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -135.67 167.67 20.69 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.636 -0.711 . . . . 10.0 109.451 179.252 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -106.38 135.18 48.32 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.486 -0.325 . . . . 10.0 110.193 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 84' ' ' ILE . . . . . 0.495 HD12 ' HB3' ' C' ' 123' ' ' ARG . 39.9 pt -68.02 -12.36 15.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 112.316 0.487 . . . . 10.0 112.316 -179.622 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -97.7 -13.66 21.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.245 0.545 . . . . 10.0 110.04 179.087 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 48.6 t-20 -106.81 93.91 4.82 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.966 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.23 -35.68 74.09 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.609 -0.723 . . . . 10.0 112.099 -179.098 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 14.6 tttp -65.07 -40.04 94.11 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.496 -0.32 . . . . 10.0 111.619 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 89' ' ' SER . . . . . 0.491 ' HA ' ' HB2' ' C' ' 92' ' ' ASP . 95.2 p -61.02 -28.18 68.86 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.842 0.353 . . . . 10.0 111.412 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 92.6 t80 -69.73 -36.93 76.28 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.416 0.626 . . . . 10.0 109.33 178.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -80.06 -27.86 39.31 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.6 -0.727 . . . . 10.0 109.705 179.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 92' ' ' ASP . . . . . 0.491 ' HB2' ' HA ' ' C' ' 89' ' ' SER . 0.2 OUTLIER -58.92 -35.73 73.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.547 -0.751 . . . . 10.0 110.664 178.948 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 93' ' ' ILE . . . . . 0.776 HD12 ' HB3' ' C' ' 80' ' ' CYS . 51.5 mm -59.17 -39.12 77.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.74 -0.664 . . . . 10.0 111.07 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -59.5 -41.07 89.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.39 -0.368 . . . . 10.0 110.321 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 31.1 m-70 -74.01 -39.76 63.37 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.954 -0.566 . . . . 10.0 110.894 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 96' ' ' TYR . . . . . 0.507 ' HD1' ' HB ' ' C' ' 9' ' ' VAL . 3.2 m-85 -63.91 -46.97 82.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.718 179.391 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -57.51 -42.44 82.78 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.951 -0.568 . . . . 10.0 111.245 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -66.46 -37.39 85.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.293 -0.412 . . . . 10.0 111.72 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 99' ' ' GLN . . . . . 0.621 ' O ' HG23 ' C' ' 103' ' ' VAL . 21.7 tt0 -63.53 -45.71 89.34 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.337 -0.616 . . . . 10.0 109.337 179.315 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 100' ' ' ILE . . . . . 0.513 HG12 ' SD ' ' C' ' 72' ' ' MET . 81.9 mt -56.81 -46.76 83.5 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 CA-C-N 115.713 -0.676 . . . . 10.0 110.387 179.467 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 101' ' ' LYS . . . . . 0.483 ' HB3' ' HE2' ' C' ' 101' ' ' LYS . 31.3 mtpt -59.98 -39.22 84.96 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.837 -0.62 . . . . 10.0 111.174 179.512 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 8.2 tmm_? -70.11 -46.51 64.68 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.477 -0.783 . . . . 10.0 111.706 -179.397 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 103' ' ' VAL . . . . . 0.621 HG23 ' O ' ' C' ' 99' ' ' GLN . 40.1 t -62.86 -50.85 78.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 112.067 0.395 . . . . 10.0 112.067 -179.304 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 22.4 mtpp -79.8 -16.12 56.13 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 112.546 0.573 . . . . 10.0 112.546 -178.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 3.7 t70 60.01 48.06 9.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.686 0.755 . . . . 10.0 110.591 -179.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 44.8 m -147.79 139.96 24.28 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.578 -0.737 . . . . 10.0 110.981 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 26.8 tp10 -77.74 -42.21 34.99 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.444 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -96.54 107.99 20.49 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.095 -0.502 . . . . 10.0 111.14 -179.312 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 88.2 t -131.55 133.96 24.96 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.851 -0.613 . . . . 10.0 109.662 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 110' ' ' PRO . . . . . 0.451 ' HG3' ' HB2' ' C' ' 166' ' ' HIS . 51.9 Cg_exo -55.43 110.42 0.55 Allowed 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 122.552 2.168 . . . . 10.0 110.991 179.082 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 111' ' ' MET . . . . . 0.459 ' HG3' ' HB2' ' C' ' 78' ' ' PHE . 9.9 ttm -142.87 146.72 34.37 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.297 -178.806 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 88.6 t -133.79 131.47 56.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 109.573 -0.529 . . . . 10.0 109.573 179.007 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 113' ' ' LEU . . . . . 0.432 ' O ' ' HA ' ' C' ' 141' ' ' PHE . 15.4 tp -92.54 117.2 29.7 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.247 -0.649 . . . . 10.0 109.247 179.742 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 70.0 t -124.67 130.52 73.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 121.194 0.521 . . . . 10.0 111.898 -179.096 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -107.96 125.45 7.91 Favored Glycine 0 N--CA 1.444 -0.793 0 N-CA-C 110.285 -1.126 . . . . 10.0 110.285 178.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -103.38 168.42 9.17 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.943 0.372 . . . . 10.0 110.625 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 117' ' ' LYS . . . . . 0.599 ' HE2' ' C5 ' ' C' ' 201' ' ' GSP . 93.9 mttt 66.71 29.91 8.4 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 123.409 0.684 . . . . 10.0 112.001 179.693 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 118' ' ' CYS . . . . . 0.466 ' HA ' ' CD1' ' C' ' 84' ' ' ILE . 53.5 m -70.93 -6.7 40.55 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.32 0.489 . . . . 10.0 112.32 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -87.25 -8.67 56.54 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.295 -0.411 . . . . 10.0 110.216 179.568 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 1.7 mt -98.89 132.38 23.82 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.834 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.57 -174.73 2.12 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.993 2.462 . . . . 10.0 111.862 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 12.4 m 60.44 42.22 14.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.886 -0.597 . . . . 10.0 111.724 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 123' ' ' ARG . . . . . 0.575 ' HD3' ' O ' ' C' ' 125' ' ' VAL . 5.9 ptp180 -73.57 145.47 45.45 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.366 -0.379 . . . . 10.0 110.925 179.736 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 1.3 p -101.96 -18.24 15.76 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.193 0.52 . . . . 10.0 110.608 179.38 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 125' ' ' VAL . . . . . 0.575 ' O ' ' HD3' ' C' ' 123' ' ' ARG . 59.8 t -104.52 124.06 58.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.688 -0.687 . . . . 10.0 111.109 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 126' ' ' ASP . . . . . 0.402 ' HB2' ' HG2' ' C' ' 129' ' ' GLN . 0.8 OUTLIER -83.99 147.95 27.16 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.914 -0.585 . . . . 10.0 110.237 -179.781 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 127' ' ' THR . . . . . 0.622 HG23 ' HE2' ' C' ' 141' ' ' PHE . 10.7 m -68.39 -40.28 81.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.918 0.39 . . . . 10.0 110.401 179.686 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt -60.43 -47.74 84.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.666 -0.697 . . . . 10.0 110.78 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 129' ' ' GLN . . . . . 0.402 ' HG2' ' HB2' ' C' ' 126' ' ' ASP . 3.0 pt20 -66.64 -31.93 72.93 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.863 0.363 . . . . 10.0 111.256 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.14 -37.56 69.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.191 0.519 . . . . 10.0 109.735 179.052 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -71.3 -32.82 69.09 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.604 -0.725 . . . . 10.0 111.089 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -64.2 -41.64 96.98 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.276 0.56 . . . . 10.0 109.567 178.386 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 22.1 tp -67.58 -39.29 84.87 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.528 -0.76 . . . . 10.0 109.264 178.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.77 -36.47 84.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.532 -0.758 . . . . 10.0 109.894 179.009 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 135' ' ' ARG . . . . . 0.404 ' HG3' ' HG2' ' B' ' 161' ' ' ARG . 2.6 tmm_? -65.3 -38.26 89.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.989 -0.55 . . . . 10.0 109.832 179.389 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 9.7 t -66.56 -35.69 80.83 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.163 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 19.8 m-30 -79.82 -37.65 34.66 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.048 -0.523 . . . . 10.0 110.826 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 92.66 33.88 7.24 Favored Glycine 0 N--CA 1.446 -0.69 0 N-CA-C 110.48 -1.048 . . . . 10.0 110.48 -179.058 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 139' ' ' ILE . . . . . 0.428 HG21 ' HB3' ' C' ' 111' ' ' MET . 48.0 pt -126.02 157.24 70.13 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 115.635 -0.282 . . . . 10.0 110.381 -179.064 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_endo -79.35 150.53 22.45 Favored 'Trans proline' 0 CA--C 1.532 0.395 0 C-N-CA 122.253 1.969 . . . . 10.0 112.273 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 141' ' ' PHE . . . . . 0.622 ' HE2' HG23 ' C' ' 127' ' ' THR . 54.7 t80 -122.6 121.88 37.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.047 179.211 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 142' ' ' ILE . . . . . 0.425 HD12 ' HA ' ' C' ' 155' ' ' ALA . 59.6 mt -123.99 123.94 67.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.248 -0.433 . . . . 10.0 111.647 -179.056 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -84.06 129.59 34.9 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.409 -0.96 . . . . 10.0 108.409 178.015 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 46.5 p -135.45 168.54 19.03 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.564 0.697 . . . . 10.0 112.681 -178.335 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 13.7 t -146.61 113.2 5.99 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.192 -1.04 . . . . 10.0 108.192 178.381 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -65.11 -26.34 68.17 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.236 -0.438 . . . . 10.0 111.246 -179.276 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 147' ' ' LYS . . . . . 0.489 ' HD2' ' HN1' ' C' ' 201' ' ' GSP . 31.1 mtpt -71.21 -22.82 61.96 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.824 0.676 . . . . 10.0 112.824 -179.758 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -123.68 2.72 8.9 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.972 0.36 . . . . 10.0 111.972 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 14.7 ttt85 57.91 30.47 19.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.36 0.6 . . . . 10.0 110.22 -178.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -66.76 99.71 0.63 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.356 -0.838 . . . . 10.0 112.712 -178.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 61.36 16.46 49.62 Favored Glycine 0 CA--C 1.52 0.403 0 CA-C-N 115.751 -0.659 . . . . 10.0 114.663 178.446 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 49.5 t -64.96 -39.62 86.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 117.231 0.516 . . . . 10.0 110.424 -179.488 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 153' ' ' ASP . . . . . 0.779 ' HA ' HD21 ' C' ' 23' ' ' LEU . 0.4 OUTLIER -66.54 -45.1 80.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.892 -0.595 . . . . 10.0 110.355 -179.899 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -64.98 -40.22 94.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.593 -0.731 . . . . 10.0 112.073 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 155' ' ' ALA . . . . . 0.425 ' HA ' HD12 ' C' ' 142' ' ' ILE . . . -57.77 -43.93 85.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.684 179.66 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 156' ' ' PHE . . . . . 0.49 ' CD2' HD22 ' C' ' 23' ' ' LEU . 9.2 m-30 -69.43 -38.79 78.02 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.562 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 13.0 m-30 -63.35 -40.16 96.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.127 0.489 . . . . 10.0 110.645 179.497 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 158' ' ' THR . . . . . 0.607 ' HA ' ' HE ' ' C' ' 161' ' ' ARG . 92.6 m -62.52 -32.32 73.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.752 -0.658 . . . . 10.0 111.212 179.783 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 159' ' ' LEU . . . . . 0.455 ' HG ' HD22 ' C' ' 6' ' ' LEU . 38.0 tp -63.08 -34.25 77.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.35 0.595 . . . . 10.0 109.888 178.679 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 62.2 t -71.63 -37.29 62.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.695 -0.684 . . . . 10.0 109.688 178.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 161' ' ' ARG . . . . . 0.607 ' HE ' ' HA ' ' C' ' 158' ' ' THR . 0.9 OUTLIER -61.81 -38.61 88.75 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.726 -0.67 . . . . 10.0 109.932 179.242 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -62.33 -38.57 89.98 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.991 -0.549 . . . . 10.0 111.195 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 62.6 mt -64.01 -46.72 93.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-O 120.901 0.382 . . . . 10.0 110.448 179.196 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 164' ' ' ARG . . . . . 0.664 HH12 ' HB2' ' C' ' 47' ' ' ASP . 81.0 mtt180 -62.37 -40.88 97.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.902 -0.59 . . . . 10.0 109.664 179.306 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 165' ' ' LYS . . . . . 0.488 ' HB2' ' HD3' ' B' ' 135' ' ' ARG . 33.9 ttmt -62.41 -46.85 86.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.388 -0.823 . . . . 10.0 110.089 179.312 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 166' ' ' HIS . . . . . 0.451 ' HB2' ' HG3' ' C' ' 110' ' ' PRO . 15.3 t-80 -55.08 -50.41 69.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.603 -0.726 . . . . 10.0 110.721 179.588 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 47.4 mttt -64.45 -40.27 95.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.338 -0.392 . . . . 10.0 111.544 -179.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -64.14 -51.82 62.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.128 0.489 . . . . 10.0 110.261 179.149 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 169' ' ' LYS . . . . . 0.44 ' HB3' ' HE2' ' C' ' 169' ' ' LYS . 40.5 mtpt -62.23 -42.72 99.56 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.594 -0.73 . . . . 10.0 111.531 -179.51 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 9.5 mmt -64.34 -30.91 71.95 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.396 0.517 . . . . 10.0 112.396 -179.388 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 50.6 m -67.15 -22.05 65.79 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.016 0.436 . . . . 10.0 110.647 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -108.73 -3.05 18.13 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.878 -0.601 . . . . 10.0 109.938 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 173' ' ' ASP . . . . . . . . . . . . . 29.3 t70 67.38 4.14 3.62 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.466 -0.788 . . . . 10.0 111.362 -179.377 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . 78.69 -10.31 32.02 Favored Glycine 0 N--CA 1.451 -0.328 0 CA-C-N 116.012 -0.54 . . . . 10.0 112.768 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 175' ' ' LYS . . . . . 0.433 ' HB2' ' H ' ' C' ' 176' ' ' LYS . 13.3 pttm -153.38 -149.93 0.31 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 110.003 -0.369 . . . . 10.0 110.003 -178.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 176' ' ' LYS . . . . . 0.433 ' H ' ' HB2' ' C' ' 175' ' ' LYS . 30.9 mttp 62.05 24.25 14.41 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.081 0.467 . . . . 10.0 111.944 179.64 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 177' ' ' LYS . . . . . 0.45 ' HA ' ' HD3' ' C' ' 177' ' ' LYS . 3.6 tppt? -120.54 -7.65 9.65 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.007 0.432 . . . . 10.0 110.33 179.286 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 178' ' ' LYS . . . . . 0.41 ' HB3' ' HE3' ' C' ' 178' ' ' LYS . 8.7 ttpp 59.7 30.47 20.06 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.255 -0.884 . . . . 10.0 112.237 179.505 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 179' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -95.3 126.02 40.33 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.108 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 180' ' ' LYS . . . . . . . . . . . . . 49.7 tptt -148.61 -53.48 0.18 Allowed 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.104 0.478 . . . . 10.0 110.479 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 24.5 p -113.73 -171.01 1.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.049 -0.523 . . . . 10.0 110.602 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 182' ' ' LYS . . . . . . . . . . . . . 10.0 mmtt -104.56 24.49 11.62 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.928 0.394 . . . . 10.0 110.746 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 183' ' ' THR . . . . . 0.625 ' HB ' ' H51' ' B' ' 204' ' ' PCW . 1.1 p -70.48 112.11 6.51 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.242 -0.435 . . . . 10.0 110.749 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 184' ' ' LYS . . . . . 0.692 ' HA ' ' C6 ' ' B' ' 204' ' ' PCW . 53.7 tttm . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.259 -179.149 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 401' ' ' PCW . . . . . 0.955 H182 H221 ' A' ' 401' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 402' ' ' PCW . . . . . 1.073 H162 H211 ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 403' ' ' PCW . . . . . 0.989 ' O4P' ' H31' ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 404' ' ' PCW . . . . . 1.033 ' H39' H451 ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 405' ' ' PCW . . . . . 0.836 H352 H421 ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 406' ' ' PCW . . . . . 0.972 H381 H321 ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 407' ' ' PCW . . . . . 1.094 H212 ' C17' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 408' ' ' PCW . . . . . 1.131 H222 ' H54' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 409' ' ' PCW . . . . . 1.15 ' C19' H142 ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 410' ' ' PCW . . . . . 0.982 ' H39' H371 ' A' ' 412' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 411' ' ' PCW . . . . . 0.864 H222 H171 ' A' ' 408' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 412' ' ' PCW . . . . . 0.982 H371 ' H39' ' A' ' 410' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 413' ' ' PCW . . . . . 1.042 ' H11' ' H41' ' A' ' 408' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 414' ' ' PCW . . . . . 1.022 H472 H432 ' A' ' 414' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 415' ' ' 17F . . . . . 0.965 ' H10' H11A ' B' ' 209' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 416' ' ' 17F . . . . . 0.953 ' H71' ' H47' ' A' ' 415' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 417' ' ' PCW . . . . . 0.916 H472 H251 ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 418' ' ' PCW . . . . . 0.982 H341 H132 ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 419' ' ' PCW . . . . . 0.933 H241 H432 ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 420' ' ' PCW . . . . . 1.098 H372 H422 ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 421' ' ' PCW . . . . . 1.052 H362 ' H8A' ' D' ' 630' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 422' ' ' 17F . . . . . 1.132 ' H65' ' H70' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 601' ' ' PCW . . . . . 1.052 H421 H461 ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 602' ' ' PCW . . . . . 1.062 H172 H212 ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 603' ' ' PCW . . . . . 1.07 H451 H432 ' D' ' 611' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 604' ' ' PCW . . . . . 0.979 H451 H181 ' D' ' 606' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 605' ' ' PCW . . . . . 1.105 H371 H322 ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 606' ' ' PCW . . . . . 1.073 ' H61' H281 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 607' ' ' PCW . . . . . 1.054 ' H12' ' C37' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 608' ' ' PCW . . . . . 1.041 ' H41' H222 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 609' ' ' PCW . . . . . 0.908 H271 ' H73' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 610' ' ' PCW . . . . . 0.822 ' H42' ' O8 ' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 611' ' ' PCW . . . . . 1.07 H432 H451 ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 612' ' ' PCW . . . . . 1.25 ' C32' H352 ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 613' ' ' PCW . . . . . 1.079 H212 H172 ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 614' ' ' PCW . . . . . 0.95 H362 ' C18' ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 615' ' ' PCW . . . . . 1.034 H432 H222 ' D' ' 620' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 616' ' ' PCW . . . . . 0.981 H452 H241 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 617' ' ' PCW . . . . . 1.134 ' H11' H342 ' C' ' 216' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 618' ' ' PCW . . . . . 1.098 H422 H372 ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 619' ' ' PCW . . . . . 1.119 H422 H261 ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 620' ' ' PCW . . . . . 1.044 H452 ' C22' ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 621' ' ' PCW . . . . . 1.034 H152 ' H18' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 622' ' ' PCW . . . . . 1.063 H421 ' H62' ' A' ' 422' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 623' ' ' PCW . . . . . 1.25 H352 ' C32' ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 624' ' ' PCW . . . . . 1.019 H282 H272 ' C' ' 217' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 625' ' ' PCW . . . . . 1.044 ' H19' H151 ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 626' ' ' PCW . . . . . 1.073 H281 ' H61' ' D' ' 606' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 627' ' ' PCW . . . . . 1.119 H261 H422 ' D' ' 619' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 628' ' ' 17F . . . . . 0.975 ' H57' H19A ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 629' ' ' 17F . . . . . 1.088 H19A ' H9A' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 630' ' ' 17F . . . . . 1.052 ' H8A' H362 ' A' ' 421' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 631' ' ' 17F . . . . . 1.131 ' H54' H222 ' A' ' 408' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 632' ' ' 17F . . . . . 1.132 ' H70' ' H65' ' A' ' 422' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 201' ' ' GSP . . . . . 0.738 H5'2 ' CE1' ' B' ' 32' ' ' TYR . . . . . . . . 0 O4'--C1' 1.437 1.92 2 O4'-C1'-N19 112.894 4.694 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 202' ' ' ' MG' . . . . . 0.643 'MG ' ' O3G' ' B' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 203' ' ' PCW . . . . . 0.984 H222 ' C1Y' ' B' ' 209' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 204' ' ' PCW . . . . . 1.012 H231 H272 ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 205' ' ' PCW . . . . . 1.048 ' H2 ' ' H62' ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 206' ' ' PCW . . . . . 1.12 H252 H171 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 207' ' ' PCW . . . . . 1.063 ' H19' H19A ' B' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 208' ' ' PCW . . . . . 1.121 H161 H283 ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 209' ' ' 17F . . . . . 0.984 ' C1Y' H222 ' B' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 210' ' ' 17F . . . . . 1.063 H19A ' H19' ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 211' ' ' 17F . . . . . 1.048 ' H69' ' H11' ' B' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 201' ' ' GSP . . . . . 0.719 H5'1 ' HA2' ' C' ' 13' ' ' GLY . . . . . . . . 0 O4'--C1' 1.44 2.164 2 O4'-C1'-N19 112.926 4.726 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 202' ' ' ' MG' . . . . . 0.624 'MG ' ' O3G' ' C' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 203' ' ' PCW . . . . . 1.121 H283 H161 ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 204' ' ' PCW . . . . . 1.08 H232 H452 ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 205' ' ' PCW . . . . . 1.12 H171 H252 ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 206' ' ' PCW . . . . . 1.158 H141 H342 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 207' ' ' PCW . . . . . 1.09 H151 ' H56' ' C' ' 213' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 208' ' ' PCW . . . . . 1.158 H342 H141 ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 209' ' ' PCW . . . . . 1.014 ' O11' ' H51' ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 210' ' ' PCW . . . . . 1.045 H371 H121 ' C' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 211' ' ' PCW . . . . . 1.019 H132 ' H56' ' C' ' 215' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 212' ' ' PCW . . . . . 1.065 H231 H432 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 213' ' ' 17F . . . . . 1.137 ' O1 ' ' H73' ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 214' ' ' 17F . . . . . 1.021 ' H67' H362 ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 215' ' ' 17F . . . . . 1.019 ' H56' H132 ' C' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 216' ' ' PCW . . . . . 1.134 H342 ' H11' ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 217' ' ' PCW . . . . . 1.019 H272 H282 ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 218' ' ' 17F . . . . . 1.063 ' H68' ' H11' ' A' ' 422' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 219' ' ' 17F . . . . . 1.006 ' H39' ' H47' ' C' ' 218' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 71.0 mt . . . . . 0 C--O 1.234 0.25 0 CA-C-O 120.883 0.373 . . . . 10.0 110.72 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 10.9 tttm -59.19 -43.77 92.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.761 -0.654 . . . . 10.0 110.716 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 91.2 mt -65.03 -34.95 79.66 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.003 -0.544 . . . . 10.0 111.416 -179.495 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 93.7 mt -71.53 -43.93 65.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.441 -0.345 . . . . 10.0 111.213 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -69.22 -45.03 70.86 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.326 -0.397 . . . . 10.0 110.924 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 206' ' ' ASN . . . . . 0.498 ' O ' HG23 ' A' ' 210' ' ' VAL . 3.2 m120 -59.27 -39.18 82.1 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 116.259 -0.428 . . . . 10.0 109.926 178.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 66.8 t90 -61.55 -40.4 94.56 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.733 -0.667 . . . . 10.0 109.846 179.513 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -61.93 -41.71 98.27 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.468 179.44 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 4.4 m -59.9 -40.59 89.27 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.003 179.022 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 210' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 206' ' ' ASN . 39.8 t -69.84 -41.34 79.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.971 -0.559 . . . . 10.0 109.893 179.043 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 24.7 m -57.25 -48.16 79.57 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.75 -0.659 . . . . 10.0 111.508 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 13.9 m -63.53 -39.91 95.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.378 -0.374 . . . . 10.0 110.6 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 34.4 m -63.0 -37.72 88.3 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.109 0.48 . . . . 10.0 109.989 179.177 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -64.54 -43.29 94.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.731 -0.668 . . . . 10.0 110.059 178.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 23.3 m -64.24 -45.95 85.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.048 -0.523 . . . . 10.0 110.103 179.218 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 47.6 mmtt -58.63 -44.63 90.07 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.181 0.515 . . . . 10.0 109.977 178.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 28.3 mt -66.24 -36.34 82.75 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.69 -0.686 . . . . 10.0 111.207 179.574 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 218' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 218' ' ' ARG . 13.1 mtt85 -70.51 -38.01 74.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.589 -0.278 . . . . 10.0 110.908 179.666 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -64.74 -40.32 95.1 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.475 -0.565 . . . . 10.0 109.475 178.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -72.28 -28.76 63.32 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.435 -0.802 . . . . 10.0 109.441 178.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 2.0 mt -59.81 -31.01 69.31 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 116.143 -0.481 . . . . 10.0 111.024 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -56.04 -69.11 1.37 Allowed Glycine 0 C--N 1.33 0.213 0 N-CA-C 110.737 -0.945 . . . . 10.0 110.737 178.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_exo -55.85 -38.87 93.95 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.527 2.151 . . . . 10.0 110.737 177.494 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 8.7 t -55.46 -51.13 60.48 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-N 116.606 -0.27 . . . . 10.0 111.243 179.666 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 225' ' ' THR . . . . . 0.454 ' O ' ' HB2' ' A' ' 229' ' ' TRP . 2.3 p -67.03 -34.32 77.46 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 110.235 -0.283 . . . . 10.0 110.235 179.382 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -64.86 -52.38 56.93 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.152 -0.477 . . . . 10.0 110.084 178.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 227' ' ' GLU . . . . . 0.485 ' HG2' ' HG2' ' D' ' 546' ' ' GLU . 1.1 mp0 -58.37 -48.54 80.27 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 123.546 0.529 . . . . 10.0 110.464 179.147 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -59.75 -49.78 76.37 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.062 -0.517 . . . . 10.0 111.392 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 229' ' ' TRP . . . . . 0.454 ' HB2' ' O ' ' A' ' 225' ' ' THR . 0.8 OUTLIER -65.02 -39.93 94.12 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.207 -0.451 . . . . 10.0 110.975 179.902 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -58.15 -44.72 88.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.209 0.528 . . . . 10.0 110.189 179.44 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 231' ' ' ASN . . . . . 0.734 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 69.4 m-20 -71.45 -36.99 71.43 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.823 -0.626 . . . . 10.0 109.94 178.761 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 34.8 mt -62.21 -34.48 76.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.869 -0.605 . . . . 10.0 110.019 178.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -61.63 -39.17 90.33 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-N 116.014 -0.539 . . . . 10.0 110.083 178.379 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 234' ' ' LYS . . . . . 0.734 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 43.2 mttt -67.9 -34.43 76.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.981 -0.554 . . . . 10.0 109.51 179.03 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -71.62 -48.35 48.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.476 -0.783 . . . . 10.0 110.332 178.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 11.8 p -64.49 -41.13 96.64 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 109.803 -0.443 . . . . 10.0 109.803 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -63.33 -45.11 92.8 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 109.345 -0.613 . . . . 10.0 109.345 178.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -59.96 -45.84 95.17 Favored Glycine 0 N--CA 1.444 -0.831 0 N-CA-C 110.851 -0.9 . . . . 10.0 110.851 178.554 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 73.0 mt -66.02 -31.06 71.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.441 0.162 . . . . 10.0 111.033 179.162 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 240' ' ' ARG . . . . . 0.523 ' O ' ' HB3' ' A' ' 243' ' ' MET . 62.2 mtt180 -70.59 -36.91 73.81 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 109.153 -0.684 . . . . 10.0 109.153 178.649 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -73.27 -38.63 65.87 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.826 -0.805 . . . . 10.0 108.826 178.38 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -70.04 -19.12 63.31 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 115.604 -0.725 . . . . 10.0 110.049 178.372 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 243' ' ' MET . . . . . 0.755 ' HG3' HD12 ' A' ' 247' ' ' LEU . 33.4 ttm -62.83 -32.68 73.94 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.813 -0.81 . . . . 10.0 108.813 178.55 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -76.02 2.45 12.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.337 -0.847 . . . . 10.0 110.386 179.539 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 44.3 mttm -124.56 -61.15 1.35 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.94 -0.573 . . . . 10.0 109.923 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 246' ' ' ASP . . . . . 0.574 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 0.6 OUTLIER -57.27 -58.19 9.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.054 -0.521 . . . . 10.0 111.717 -179.524 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 247' ' ' LEU . . . . . 0.755 HD12 ' HG3' ' A' ' 243' ' ' MET . 82.9 mt -75.84 -43.45 45.82 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.168 0.432 . . . . 10.0 112.168 -179.137 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -59.14 -51.26 70.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.409 -0.359 . . . . 10.0 111.77 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -68.61 -32.79 72.93 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.95 0.352 . . . . 10.0 111.95 -179.509 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 250' ' ' VAL . . . . . 0.511 HG12 ' O ' ' A' ' 247' ' ' LEU . 1.8 p -68.56 -29.49 44.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 120.291 -0.564 . . . . 10.0 110.269 179.102 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 251' ' ' LYS . . . . . 0.48 ' HA ' ' HB ' ' A' ' 254' ' ' VAL . 90.0 mttt -83.98 -41.4 17.33 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.209 0.528 . . . . 10.0 109.848 178.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -62.95 -39.45 94.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.342 0.591 . . . . 10.0 109.695 178.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -87.79 -3.81 58.92 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.683 -0.69 . . . . 10.0 110.635 179.102 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 254' ' ' VAL . . . . . 0.48 ' HB ' ' HA ' ' A' ' 251' ' ' LYS . 0.3 OUTLIER -67.5 -31.66 53.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 109.872 -0.418 . . . . 10.0 109.872 179.634 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 255' ' ' GLN . . . . . 0.421 ' HB2' ' CD ' ' A' ' 256' ' ' PRO . 36.4 mt-30 -65.06 -62.53 4.64 Favored Pre-proline 0 N--CA 1.45 -0.451 0 CA-C-N 115.823 -0.626 . . . . 10.0 111.521 179.739 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 256' ' ' PRO . . . . . 0.421 ' CD ' ' HB2' ' A' ' 255' ' ' GLN . 13.4 Cg_endo -57.62 -35.68 98.76 Favored 'Trans proline' 0 C--N 1.357 0.977 0 C-N-CA 121.948 1.765 . . . . 10.0 112.447 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 4.6 m-30 -68.95 -53.63 19.77 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.864 0.364 . . . . 10.0 110.719 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 43.7 mt -65.03 -43.73 91.44 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-N 116.523 -0.308 . . . . 10.0 110.896 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 259' ' ' ASP . . . . . 0.465 ' O ' ' HB2' ' A' ' 263' ' ' LYS . 4.2 t70 -57.55 -45.56 84.98 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 123.529 0.518 . . . . 10.0 111.265 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -64.22 -51.71 62.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.29 -0.414 . . . . 10.0 111.053 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -66.05 -36.9 84.47 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 115.914 -0.584 . . . . 10.0 112.182 -179.594 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -69.51 -39.38 77.61 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.98 -0.378 . . . . 10.0 109.98 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 263' ' ' LYS . . . . . 0.473 ' HB2' ' HE3' ' A' ' 263' ' ' LYS . 15.2 ttmt -63.01 -45.04 94.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.868 -0.605 . . . . 10.0 109.37 178.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 264' ' ' LYS . . . . . 0.64 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 77.7 mttt -68.62 -41.09 79.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.587 -0.733 . . . . 10.0 110.245 178.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 1.9 m95 -59.75 -38.46 81.82 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.343 -0.614 . . . . 10.0 109.343 178.749 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -62.61 -45.83 91.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.837 -0.619 . . . . 10.0 109.589 178.516 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -64.48 -41.63 96.36 Favored 'General case' 0 C--O 1.232 0.146 0 N-CA-C 109.471 -0.566 . . . . 10.0 109.471 178.646 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 268' ' ' GLU . . . . . 0.544 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 16.3 mt-10 -59.14 -45.43 90.97 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.747 -0.66 . . . . 10.0 110.276 178.792 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 79.8 mmm -68.41 -43.77 76.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.789 -0.641 . . . . 10.0 110.588 179.437 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -60.48 -50.21 74.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.735 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 81.0 mt -61.47 -35.94 79.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.04 0.448 . . . . 10.0 110.237 179.157 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 272' ' ' TYR . . . . . 0.447 ' HD1' ' HA ' ' A' ' 272' ' ' TYR . 0.2 OUTLIER -67.52 -37.67 83.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.198 178.734 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 273' ' ' ARG . . . . . 0.534 ' HA ' HG12 ' A' ' 276' ' ' VAL . 97.8 mtt180 -75.55 -31.71 60.16 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.357 -0.383 . . . . 10.0 111.025 179.026 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -71.91 -21.34 61.64 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.304 -0.628 . . . . 10.0 109.304 178.448 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 275' ' ' LYS . . . . . 0.713 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 7.4 mptt -96.89 -37.44 10.22 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 115.656 -0.702 . . . . 10.0 110.924 179.13 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 276' ' ' VAL . . . . . 0.534 HG12 ' HA ' ' A' ' 273' ' ' ARG . 4.1 p -55.53 -33.61 33.06 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.236 0 N-CA-C 112.733 0.642 . . . . 10.0 112.733 -178.783 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 83.1 mt-10 -65.12 -62.37 4.84 Favored Pre-proline 0 CA--C 1.535 0.378 0 N-CA-C 111.632 0.234 . . . . 10.0 111.632 179.457 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -62.42 -35.39 72.49 Favored 'Trans proline' 0 C--N 1.354 0.831 0 C-N-CA 121.557 1.505 . . . . 10.0 111.839 178.385 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 279' ' ' LEU . . . . . 0.724 HD22 ' HE3' ' D' ' 495' ' ' LYS . 17.1 mt -65.46 -44.81 86.04 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.624 0.249 . . . . 10.0 110.455 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 33.9 ttm180 -65.0 -35.88 82.62 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.541 -0.54 . . . . 10.0 109.541 179.164 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -64.0 -44.93 91.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.997 -0.547 . . . . 10.0 109.721 178.691 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -65.23 -43.0 92.87 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.606 -0.516 . . . . 10.0 109.606 178.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 37.4 mt -63.55 -40.81 97.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.664 -0.698 . . . . 10.0 110.533 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -63.68 -53.0 58.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.737 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -63.73 -40.96 98.03 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.99 0.424 . . . . 10.0 110.373 179.598 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -63.49 -43.0 98.8 Favored Glycine 0 N--CA 1.446 -0.699 0 N-CA-C 110.71 -0.956 . . . . 10.0 110.71 178.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -64.67 -47.11 79.65 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.792 -0.447 . . . . 10.0 109.792 179.06 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 61.6 mtt180 -52.32 -47.04 66.22 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.941 179.221 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 5.1 tm0? -60.24 -51.0 71.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.852 179.56 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 42.1 mttt -67.15 -34.79 78.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.808 -0.633 . . . . 10.0 111.681 -178.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 80.6 mt -68.63 -43.07 77.1 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.013 -0.366 . . . . 10.0 110.013 179.254 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -66.8 -36.33 82.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.014 -0.539 . . . . 10.0 109.727 178.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.73 -39.41 94.0 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 109.063 -0.717 . . . . 10.0 109.063 178.29 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 63.3 mt -67.76 -43.28 80.22 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-N 115.705 -0.68 . . . . 10.0 110.275 179.07 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -61.56 -39.93 92.9 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.976 0.417 . . . . 10.0 110.477 179.391 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -64.12 -9.3 15.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.416 -0.811 . . . . 10.0 112.105 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 297' ' ' LYS . . . . . 0.554 ' O ' ' HB2' ' A' ' 301' ' ' LEU . 17.1 mmtp -116.94 -26.92 6.72 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.884 0.373 . . . . 10.0 109.999 178.365 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 298' ' ' LEU . . . . . 0.488 ' O ' ' HA3' ' A' ' 302' ' ' GLY . 28.4 mt -72.13 -30.87 65.47 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.175 -0.466 . . . . 10.0 111.557 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 299' ' ' SER . . . . . 0.442 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 6.6 m -77.67 -63.97 0.44 Allowed Pre-proline 0 C--N 1.323 -0.554 0 N-CA-C 112.68 0.622 . . . . 10.0 112.68 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 300' ' ' PRO . . . . . 0.442 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 18.9 Cg_endo -61.58 -51.99 3.57 Favored 'Trans proline' 0 C--N 1.356 0.939 0 C-N-CA 122.122 1.881 . . . . 10.0 112.425 -179.387 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 301' ' ' LEU . . . . . 0.722 ' HB3' ' HE3' ' D' ' 473' ' ' LYS . 81.1 mt -71.9 -20.77 61.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.944 0.402 . . . . 10.0 110.241 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 302' ' ' GLY . . . . . 0.488 ' HA3' ' O ' ' A' ' 298' ' ' LEU . . . -73.28 -53.02 8.0 Favored Glycine 0 N--CA 1.449 -0.462 0 N-CA-C 110.627 -0.989 . . . . 10.0 110.627 179.096 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 303' ' ' GLU . . . . . 0.466 ' HA ' ' HD2' ' A' ' 306' ' ' ARG . 2.7 mt-10 -64.03 -38.51 91.34 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.784 -0.45 . . . . 10.0 109.784 179.186 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.53 -44.14 95.09 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.452 -0.573 . . . . 10.0 109.452 178.405 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 305' ' ' MET . . . . . 0.427 ' SD ' HD13 ' D' ' 469' ' ' LEU . 9.9 tpt -64.56 -37.63 88.2 Favored 'General case' 0 C--O 1.226 -0.163 0 N-CA-C 109.23 -0.656 . . . . 10.0 109.23 178.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 306' ' ' ARG . . . . . 0.466 ' HD2' ' HA ' ' A' ' 303' ' ' GLU . 80.2 mtt180 -63.92 -41.4 97.66 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.971 -0.559 . . . . 10.0 109.56 178.762 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 307' ' ' ASP . . . . . 0.515 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 32.0 t70 -68.9 -36.92 78.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.942 -0.572 . . . . 10.0 109.901 179.235 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 308' ' ' ARG . . . . . 0.436 ' HG3' HD21 ' D' ' 469' ' ' LEU . 25.2 mmt180 -68.33 -33.79 74.94 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.013 -0.736 . . . . 10.0 109.013 177.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -64.99 -37.91 89.21 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.306 -0.998 . . . . 10.0 108.306 177.524 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 310' ' ' ARG . . . . . 0.515 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 79.0 mtt180 -60.83 -42.08 97.02 Favored 'General case' 0 C--O 1.223 -0.309 0 N-CA-C 108.55 -0.907 . . . . 10.0 108.55 177.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -67.53 -39.37 85.04 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.778 -0.646 . . . . 10.0 109.9 178.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -59.74 -52.32 66.0 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 108.983 -0.747 . . . . 10.0 108.983 178.504 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 91.0 t -67.2 -37.37 79.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.397 -0.82 . . . . 10.0 111.13 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -60.17 -45.4 93.21 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-O 120.937 0.398 . . . . 10.0 110.094 179.214 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -63.5 -39.77 95.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.864 -0.607 . . . . 10.0 109.738 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 74.8 mt -65.47 -51.03 63.0 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 115.715 -0.675 . . . . 10.0 110.069 178.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 19.1 ttm180 -57.72 -49.41 76.63 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.005 -0.543 . . . . 10.0 111.077 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 16.7 m -64.4 -31.21 72.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.225 -0.443 . . . . 10.0 111.652 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 319' ' ' HIS . . . . . 0.426 ' O ' ' HD2' ' A' ' 322' ' ' PRO . 0.4 OUTLIER -83.08 -41.36 18.69 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.957 -0.297 . . . . 10.0 111.44 179.793 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 320' ' ' LEU . . . . . 0.484 ' HA ' ' HB2' ' A' ' 323' ' ' TYR . 85.3 mt -71.7 -18.27 62.17 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.607 -0.27 . . . . 10.0 111.572 -179.78 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 321' ' ' ALA . . . . . 0.495 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -55.85 -58.87 13.54 Favored Pre-proline 0 CA--C 1.538 0.489 0 N-CA-C 112.017 0.376 . . . . 10.0 112.017 179.758 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 322' ' ' PRO . . . . . 0.495 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 59.8 Cg_endo -76.34 -27.72 7.67 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 121.499 1.466 . . . . 10.0 110.869 178.218 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 323' ' ' TYR . . . . . 0.484 ' HB2' ' HA ' ' A' ' 320' ' ' LEU . 10.5 m-30 -63.12 -42.16 99.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.18 -0.464 . . . . 10.0 111.674 -179.663 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 324' ' ' SER . . . . . 0.497 ' O ' ' HG3' ' A' ' 328' ' ' ARG . 5.7 p -64.59 -38.08 89.79 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.039 -0.356 . . . . 10.0 110.039 179.572 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -67.17 -46.53 73.71 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 115.838 -0.619 . . . . 10.0 109.399 178.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.8 -34.9 76.73 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.013 178.789 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 22.8 mt -65.54 -37.47 86.82 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.36 -0.607 . . . . 10.0 109.36 177.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 328' ' ' ARG . . . . . 0.497 ' HG3' ' O ' ' A' ' 324' ' ' SER . 66.1 mtt180 -65.83 -38.12 88.04 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 108.856 -0.794 . . . . 10.0 108.856 178.092 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -63.26 -42.28 99.14 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 108.933 -0.766 . . . . 10.0 108.933 178.355 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 330' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 330' ' ' ARG . 50.1 mtt-85 -64.23 -49.11 73.25 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-N 115.575 -0.738 . . . . 10.0 109.714 178.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 72.3 mt -58.18 -44.39 87.98 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.758 -0.655 . . . . 10.0 110.312 179.365 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -60.69 -50.19 74.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.482 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -60.99 -42.93 99.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.686 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 72.5 mtt-85 -65.63 -48.39 72.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.192 -0.458 . . . . 10.0 111.086 179.388 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 49.7 mt -61.65 -39.98 93.26 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.288 -0.414 . . . . 10.0 110.921 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -67.95 -44.56 76.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.567 -0.288 . . . . 10.0 110.828 179.488 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -63.64 -46.98 83.2 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.905 -0.406 . . . . 10.0 109.905 179.409 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 75.2 mt -69.64 -16.38 63.36 Favored 'General case' 0 C--O 1.225 -0.235 0 CA-C-N 115.93 -0.577 . . . . 10.0 111.806 179.427 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 13.4 tttt -75.99 -45.1 36.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.276 0.56 . . . . 10.0 109.726 178.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -71.46 -44.58 64.51 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.551 -0.907 . . . . 10.0 108.551 178.477 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 341' ' ' ASN . . . . . 0.449 ' O ' ' HG3' ' A' ' 345' ' ' ARG . 18.4 t-20 -62.75 -52.01 64.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 114.935 -1.03 . . . . 10.0 109.705 179.301 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -62.45 -40.02 98.55 Favored Glycine 0 N--CA 1.449 -0.474 0 CA-C-N 115.795 -0.639 . . . . 10.0 111.886 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -61.53 -39.7 97.7 Favored Glycine 0 N--CA 1.453 -0.212 0 N-CA-C 111.003 -0.839 . . . . 10.0 111.003 179.109 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -70.63 -41.37 72.28 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.486 -0.561 . . . . 10.0 109.486 178.556 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 345' ' ' ARG . . . . . 0.449 ' HG3' ' O ' ' A' ' 341' ' ' ASN . 52.5 mtm180 -62.42 -41.18 98.5 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.611 -0.722 . . . . 10.0 110.223 179.193 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 80.5 mt -63.15 -43.39 98.45 Favored 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 109.872 -0.418 . . . . 10.0 109.872 178.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.15 -40.89 91.41 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 109.372 -0.603 . . . . 10.0 109.372 178.703 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 348' ' ' GLU . . . . . 0.45 ' HB3' ' HE2' ' A' ' 352' ' ' LYS . 15.8 mt-10 -69.61 -41.55 75.55 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.588 -0.733 . . . . 10.0 109.919 178.412 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -59.76 -40.76 89.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.403 179.425 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 28.8 m-70 -64.25 -41.23 97.05 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.676 -0.49 . . . . 10.0 109.676 178.689 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -65.16 -47.15 78.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.741 -0.663 . . . . 10.0 109.857 178.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 352' ' ' LYS . . . . . 0.45 ' HE2' ' HB3' ' A' ' 348' ' ' GLU . 24.8 mttm -61.15 -42.4 98.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.952 -0.567 . . . . 10.0 109.951 178.828 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.38 -39.16 82.44 Favored 'General case' 0 C--O 1.224 -0.282 0 N-CA-C 109.493 -0.558 . . . . 10.0 109.493 178.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 27.3 m -63.97 -43.2 96.49 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.962 -0.563 . . . . 10.0 109.981 178.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -65.89 -38.88 89.91 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.004 0.43 . . . . 10.0 110.345 178.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 36.4 m-70 -68.69 -28.68 67.07 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.849 -0.614 . . . . 10.0 109.906 178.508 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 40.0 mt -77.04 -43.93 32.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.96 -0.564 . . . . 10.0 111.285 179.525 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -61.48 -37.89 85.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.027 0.441 . . . . 10.0 110.428 179.672 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 4.0 p -77.24 -28.04 53.53 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.175 0.512 . . . . 10.0 110.048 178.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 60.3 tp -69.35 -31.37 69.75 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.733 -0.667 . . . . 10.0 109.202 178.257 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 32.8 m -61.22 -32.18 71.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.031 178.487 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 362' ' ' GLU . . . . . 0.506 ' HA ' ' HD2' ' A' ' 366' ' ' PRO . 28.0 mm-40 -69.36 -25.74 64.33 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.75 -0.659 . . . . 10.0 109.97 178.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 363' ' ' LYS . . . . . 0.746 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 88.2 mttt -86.69 -40.54 14.98 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.064 -0.516 . . . . 10.0 109.624 178.608 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -70.93 -27.99 64.18 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.684 -0.689 . . . . 10.0 112.607 -178.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 365' ' ' LYS . . . . . 1.051 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 21.7 mttt -110.78 -78.53 0.01 OUTLIER Pre-proline 0 CA--C 1.54 0.572 0 N-CA-C 113.223 0.823 . . . . 10.0 113.223 -179.573 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 366' ' ' PRO . . . . . 1.051 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 52.3 Cg_exo -55.92 -54.14 4.52 Favored 'Trans proline' 0 C--N 1.36 1.16 0 C-N-CA 122.525 2.15 . . . . 10.0 113.512 -178.755 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 367' ' ' ALA . . . . . 0.746 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -60.63 -52.19 66.2 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.44 0.162 . . . . 10.0 111.231 -179.715 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 2.5 mt -59.3 -36.39 75.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.385 -0.37 . . . . 10.0 111.412 179.617 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -69.7 -43.42 72.46 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.303 -0.258 . . . . 10.0 110.303 179.288 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -62.46 -40.92 98.18 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 108.854 -0.795 . . . . 10.0 108.854 178.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 371' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 367' ' ' ALA . 95.9 mt -65.62 -46.58 78.72 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-N 115.42 -0.809 . . . . 10.0 109.92 178.726 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 372' ' ' ARG . . . . . 0.599 ' O ' ' HG ' ' A' ' 376' ' ' LEU . 43.6 mtt180 -61.65 -49.37 76.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.762 179.478 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -64.81 -25.51 67.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.038 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -85.71 -32.76 17.72 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.869 -0.682 . . . . 10.0 111.433 179.149 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 60.6 mt -74.81 -28.42 60.7 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 122.034 0.134 . . . . 10.0 111.154 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 376' ' ' LEU . . . . . 0.599 ' HG ' ' O ' ' A' ' 372' ' ' ARG . 90.0 mt -50.85 -59.95 6.48 Favored Pre-proline 0 CA--C 1.535 0.388 0 O-C-N 123.178 0.299 . . . . 10.0 111.727 179.44 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -64.78 -25.71 60.62 Favored 'Trans proline' 0 C--N 1.359 1.116 0 C-N-CA 121.909 1.739 . . . . 10.0 111.433 179.022 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 41.6 t -68.32 -42.16 84.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 N-CA-C 109.229 -0.656 . . . . 10.0 109.229 178.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 94.8 mt -66.85 -34.9 78.81 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.993 -0.548 . . . . 10.0 109.65 178.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 380' ' ' GLU . . . . . 0.468 ' HG3' ' O ' ' A' ' 376' ' ' LEU . 7.6 mt-10 -69.07 -46.47 67.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.593 179.032 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 2.4 p -64.85 -36.06 83.12 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.387 -0.597 . . . . 10.0 109.387 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 382' ' ' PHE . . . . . 0.41 ' O ' ' HD1' ' A' ' 386' ' ' PHE . 0.6 OUTLIER -64.92 -37.19 86.8 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 115.674 -0.694 . . . . 10.0 109.981 178.261 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -58.27 -42.44 86.53 Favored 'General case' 0 C--O 1.231 0.122 0 N-CA-C 109.462 -0.569 . . . . 10.0 109.462 178.441 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 47.6 t -63.24 -38.43 82.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.746 -0.661 . . . . 10.0 109.854 178.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 5.9 m -70.15 -42.69 72.21 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.844 179.603 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 386' ' ' PHE . . . . . 0.735 ' HZ ' ' H76' ' A' ' 415' ' ' 17F . 20.2 m-85 -66.27 -48.01 71.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.787 -179.583 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 92.6 mt -59.47 -43.38 93.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.344 -0.389 . . . . 10.0 111.328 -179.573 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 388' ' ' SER . . . . . 0.831 ' HB2' ' HE3' ' D' ' 594' ' ' LYS . 15.0 p -68.84 -41.46 78.47 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 116.578 -0.283 . . . . 10.0 110.768 179.77 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -61.11 -44.84 96.73 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.45 -0.341 . . . . 10.0 110.85 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 82.2 mt -62.31 -38.35 89.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.127 179.424 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -65.76 -41.37 92.18 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.723 -0.671 . . . . 10.0 109.855 178.562 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 392' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' A' ' 388' ' ' SER . 62.8 mm-40 -56.72 -47.0 80.95 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.132 0.491 . . . . 10.0 109.935 178.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -60.63 -47.5 85.95 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.604 -0.725 . . . . 10.0 110.642 179.352 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 394' ' ' THR . . . . . 0.547 ' O ' ' HB3' ' A' ' 398' ' ' ASN . 3.6 m -68.85 -21.4 64.28 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.805 -0.634 . . . . 10.0 112.285 -178.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -88.52 -38.29 15.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 122.213 -0.304 . . . . 10.0 111.563 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 396' ' ' LYS . . . . . 0.739 ' HE2' ' HA ' ' D' ' 587' ' ' ALA . 13.9 mptt -90.74 -32.3 16.2 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 113.546 0.943 . . . . 10.0 113.546 -178.092 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 85.7 mt -110.1 43.46 1.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.511 0.56 . . . . 10.0 112.511 -178.119 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 398' ' ' ASN . . . . . 0.547 ' HB3' ' O ' ' A' ' 394' ' ' THR . 49.6 t30 . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 116.575 -0.284 . . . . 10.0 110.698 179.236 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 399' ' ' LEU . . . . . 0.44 HD13 ' HA ' ' D' ' 399' ' ' LEU . 3.4 mm? . . . . . 0 N--CA 1.455 -0.18 0 CA-C-O 121.256 0.55 . . . . 10.0 110.333 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.07 22.28 16.23 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.587 -0.733 . . . . 10.0 109.831 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 59.7 mt -66.57 -17.28 64.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.655 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 72.9 mt -69.95 -30.7 68.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.824 -0.625 . . . . 10.0 109.54 178.482 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 403' ' ' ASP . . . . . 0.498 ' O ' ' HB3' ' D' ' 406' ' ' ASP . 58.1 m-20 -81.31 -41.88 21.45 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.693 -0.685 . . . . 10.0 109.562 179.252 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -63.22 -45.62 90.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.527 -0.76 . . . . 10.0 110.043 179.495 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -67.04 -28.19 68.02 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.149 0.5 . . . . 10.0 110.057 179.037 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 406' ' ' ASP . . . . . 0.498 ' HB3' ' O ' ' D' ' 403' ' ' ASP . 1.6 t70 -61.19 -44.34 97.45 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.788 -0.642 . . . . 10.0 109.356 178.468 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 1.3 m -62.9 -37.09 85.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.723 -0.671 . . . . 10.0 109.667 179.024 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 52.7 t -65.92 -34.49 70.63 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-N 115.442 -0.799 . . . . 10.0 109.331 178.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 17.7 m -68.41 -42.79 78.47 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.643 -0.708 . . . . 10.0 109.563 178.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 1.6 m -63.12 -44.79 94.66 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.008 -0.542 . . . . 10.0 110.34 179.275 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 411' ' ' THR . . . . . 0.617 ' O ' ' HG ' ' D' ' 415' ' ' LEU . 0.8 OUTLIER -64.48 -37.42 87.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.766 179.411 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -58.93 -46.79 87.11 Favored 'General case' 0 C--O 1.232 0.159 0 N-CA-C 109.682 -0.488 . . . . 10.0 109.682 178.11 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 8.0 m -65.52 -37.81 87.85 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.812 -0.631 . . . . 10.0 109.578 178.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 414' ' ' LYS . . . . . 0.479 ' HE3' ' HG3' ' A' ' 362' ' ' GLU . 29.6 mmtt -62.41 -37.44 85.84 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-O 121.233 0.539 . . . . 10.0 110.056 178.762 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 415' ' ' LEU . . . . . 0.617 ' HG ' ' O ' ' D' ' 411' ' ' THR . 92.7 mt -67.54 -37.25 82.45 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 109.232 -0.655 . . . . 10.0 109.232 178.684 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -68.44 -34.45 76.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.104 178.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -66.2 -22.35 66.34 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 115.779 -0.646 . . . . 10.0 109.815 178.703 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -90.94 -57.02 2.95 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.345 -0.843 . . . . 10.0 108.736 178.101 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 36.7 mt -43.5 -52.6 6.04 Favored 'General case' 0 C--O 1.222 -0.344 0 O-C-N 123.819 0.699 . . . . 10.0 112.611 -179.385 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -50.63 -78.05 0.11 Allowed Glycine 0 CA--C 1.524 0.607 0 C-N-CA 121.275 -0.488 . . . . 10.0 113.015 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -54.4 -40.18 84.2 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 123.134 2.556 . . . . 10.0 112.895 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 41.3 t -62.68 -49.39 83.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 112.405 0.52 . . . . 10.0 112.405 -179.146 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 26.0 p -61.94 -31.62 71.97 Favored 'General case' 0 C--N 1.333 -0.124 0 C-N-CA 120.581 -0.448 . . . . 10.0 111.237 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -59.43 -56.45 21.9 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.896 0.379 . . . . 10.0 110.217 179.302 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -74.08 -29.42 61.87 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.2 -0.455 . . . . 10.0 111.537 179.557 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 426' ' ' PHE . . . . . 0.482 ' O ' ' HG ' ' D' ' 430' ' ' LEU . 60.2 t80 -63.96 -41.13 97.66 Favored 'General case' 0 CA--C 1.52 -0.195 0 N-CA-C 109.371 -0.603 . . . . 10.0 109.371 178.763 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 427' ' ' TRP . . . . . 0.423 ' HA ' HD12 ' D' ' 430' ' ' LEU . 5.8 m95 -68.12 -37.44 81.12 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.843 -0.617 . . . . 10.0 109.614 178.631 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 428' ' ' ASP . . . . . 0.425 ' O ' ' HG3' ' D' ' 432' ' ' LYS . 27.8 t70 -67.57 -33.56 75.28 Favored 'General case' 0 C--N 1.334 -0.097 0 N-CA-C 108.744 -0.836 . . . . 10.0 108.744 177.841 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -64.26 -40.38 95.88 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.116 -1.068 . . . . 10.0 108.116 177.211 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 430' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' D' ' 426' ' ' PHE . 94.4 mt -62.73 -36.39 82.84 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.454 -0.794 . . . . 10.0 108.956 178.418 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -65.28 -40.94 94.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.002 -0.545 . . . . 10.0 109.808 178.399 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 432' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' D' ' 428' ' ' ASP . 57.2 mttp -63.31 -45.58 90.69 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.833 -0.803 . . . . 10.0 108.833 178.541 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 433' ' ' GLU . . . . . 0.493 ' O ' ' HG ' ' D' ' 437' ' ' LEU . 74.2 mt-10 -63.91 -51.2 65.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.547 -0.752 . . . . 10.0 111.716 179.447 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 434' ' ' THR . . . . . 0.41 ' HB ' ' CZ ' ' D' ' 438' ' ' ARG . 2.8 p -57.17 -47.69 80.59 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.659 0.244 . . . . 10.0 111.659 -179.437 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -64.83 -43.44 93.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.714 0.292 . . . . 10.0 110.9 179.648 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -62.72 -50.6 62.61 Favored Glycine 0 N--CA 1.45 -0.389 0 N-CA-C 111.031 -0.828 . . . . 10.0 111.031 179.088 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 437' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' D' ' 433' ' ' GLU . 89.6 mt -61.43 -30.42 70.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.788 0.328 . . . . 10.0 110.427 179.262 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 438' ' ' ARG . . . . . 0.41 ' CZ ' ' HB ' ' D' ' 434' ' ' THR . 24.9 mtt180 -67.2 -40.29 86.45 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-N 116.339 -0.391 . . . . 10.0 110.278 178.801 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -63.03 -39.23 94.14 Favored 'General case' 0 CA--C 1.522 -0.13 0 N-CA-C 109.31 -0.626 . . . . 10.0 109.31 178.71 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 440' ' ' GLU . . . . . 0.566 ' O ' ' HB2' ' D' ' 444' ' ' ASP . 50.3 mt-10 -71.43 -42.03 68.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.349 -0.841 . . . . 10.0 110.568 179.039 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 34.6 mmm -72.05 -38.88 69.41 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 113.385 0.883 . . . . 10.0 113.385 -179.052 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 9.4 p -63.01 -46.28 88.38 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.924 0.393 . . . . 10.0 109.954 179.632 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.2 -24.75 63.17 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.925 -0.58 . . . . 10.0 109.915 178.719 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 444' ' ' ASP . . . . . 0.566 ' HB2' ' O ' ' D' ' 440' ' ' GLU . 5.3 t70 -75.94 -58.63 3.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.58 179.74 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 445' ' ' LEU . . . . . 0.49 ' HA ' ' HB ' ' D' ' 448' ' ' VAL . 75.7 mt -63.26 -43.24 98.53 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 112.838 0.681 . . . . 10.0 112.838 -178.501 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -61.25 -40.77 95.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.072 0.463 . . . . 10.0 110.919 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 447' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -77.09 -24.55 51.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.635 -0.711 . . . . 10.0 109.582 178.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 448' ' ' VAL . . . . . 0.49 ' HB ' ' HA ' ' D' ' 445' ' ' LEU . 1.4 t -67.04 -36.0 75.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 N-CA-C 109.238 -0.653 . . . . 10.0 109.238 178.35 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.01 -26.79 69.02 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.429 -0.952 . . . . 10.0 108.429 177.549 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -100.01 20.6 14.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.204 -0.907 . . . . 10.0 109.804 178.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 451' ' ' LYS . . . . . 0.474 ' HE3' ' CD1' ' A' ' 323' ' ' TYR . 32.5 mmtm -128.03 -49.92 1.33 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.723 -0.671 . . . . 10.0 110.058 179.581 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 452' ' ' VAL . . . . . 0.444 HG23 HG13 ' D' ' 448' ' ' VAL . 61.8 t -64.49 -42.78 96.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.014 -0.539 . . . . 10.0 111.028 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -60.63 -57.63 25.13 Favored Pre-proline 0 CA--C 1.537 0.459 0 N-CA-C 112.567 0.58 . . . . 10.0 112.567 -179.535 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -63.06 -34.51 69.72 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 121.898 1.732 . . . . 10.0 111.638 179.254 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -70.03 -36.51 75.11 Favored 'General case' 0 C--O 1.224 -0.25 0 N-CA-C 109.978 -0.379 . . . . 10.0 109.978 178.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 2.0 mt -63.17 -43.18 98.97 Favored 'General case' 0 C--O 1.221 -0.427 0 N-CA-C 109.182 -0.673 . . . . 10.0 109.182 178.365 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -64.81 -43.81 91.92 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.286 -0.635 . . . . 10.0 109.286 178.632 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 458' ' ' ASP . . . . . 0.407 ' HB2' ' CE1' ' A' ' 319' ' ' HIS . 16.4 t70 -61.07 -45.55 94.29 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 115.372 -0.831 . . . . 10.0 110.618 179.37 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 459' ' ' PHE . . . . . 0.469 ' HD2' ' HA ' ' D' ' 459' ' ' PHE . 0.0 OUTLIER -69.05 -44.74 72.03 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.564 -0.743 . . . . 10.0 110.311 179.362 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -58.94 -39.27 81.11 Favored 'General case' 0 C--O 1.224 -0.237 0 CA-C-N 116.484 -0.325 . . . . 10.0 110.426 179.204 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 461' ' ' LYS . . . . . 0.439 ' O ' ' HG3' ' D' ' 465' ' ' GLU . 64.4 mttt -61.99 -44.65 96.28 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 110.028 -0.36 . . . . 10.0 110.028 178.617 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 21.6 mtmm -68.15 -36.99 80.55 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.573 -0.529 . . . . 10.0 109.573 179.048 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 463' ' ' TRP . . . . . 0.687 ' CD1' ' H71' ' D' ' 629' ' ' 17F . 35.6 m0 -64.06 -40.86 97.2 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 108.727 -0.842 . . . . 10.0 108.727 177.768 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -61.32 -48.44 81.35 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-N 115.476 -0.784 . . . . 10.0 109.027 178.074 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 465' ' ' GLU . . . . . 0.663 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 48.1 mt-10 -55.87 -57.03 13.78 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.47 -0.787 . . . . 10.0 109.481 179.042 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.22 -44.8 79.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.278 -0.419 . . . . 10.0 111.474 -179.632 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 61.1 mtm -62.97 -46.61 86.91 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.687 -0.233 . . . . 10.0 111.181 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -64.73 -37.46 87.67 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-O 121.02 0.438 . . . . 10.0 110.175 178.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 469' ' ' LEU . . . . . 0.663 ' HG ' ' O ' ' D' ' 465' ' ' GLU . 87.3 mt -64.48 -39.65 94.21 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 115.685 -0.689 . . . . 10.0 109.176 178.413 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 13.2 m-30 -65.51 -34.09 77.45 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 109.517 -0.549 . . . . 10.0 109.517 178.433 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 471' ' ' ARG . . . . . 0.967 ' HA ' ' HG3' ' D' ' 475' ' ' GLU . 75.7 mtt180 -69.76 -19.02 63.54 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.495 178.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -108.31 -1.6 19.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.968 -0.56 . . . . 10.0 110.666 179.67 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 473' ' ' LYS . . . . . 0.722 ' HE3' ' HB3' ' A' ' 301' ' ' LEU . 60.4 mttp -123.46 -70.98 0.74 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.403 -0.362 . . . . 10.0 110.785 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 474' ' ' VAL . . . . . 0.512 ' O ' ' HB2' ' D' ' 478' ' ' ARG . 60.8 t -57.23 -39.67 68.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.508 -0.314 . . . . 10.0 111.753 -179.579 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 475' ' ' GLU . . . . . 0.967 ' HG3' ' HA ' ' D' ' 471' ' ' ARG . 2.0 mm-40 -61.64 -60.23 11.0 Favored Pre-proline 0 CA--C 1.536 0.434 0 N-CA-C 112.798 0.666 . . . . 10.0 112.798 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -65.21 -36.45 36.43 Favored 'Trans proline' 0 C--N 1.355 0.878 0 C-N-CA 121.654 1.57 . . . . 10.0 111.547 178.649 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 29.6 mt -66.83 -28.45 68.37 Favored 'General case' 0 C--O 1.223 -0.303 0 CA-C-O 120.696 0.284 . . . . 10.0 110.253 178.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 478' ' ' ARG . . . . . 0.512 ' HB2' ' O ' ' D' ' 474' ' ' VAL . 11.5 ttt180 -62.52 -40.21 96.01 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.521 -0.918 . . . . 10.0 108.521 178.504 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 479' ' ' ALA . . . . . 0.441 ' HA ' ' OE1' ' D' ' 482' ' ' GLN . . . -71.66 -37.8 70.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.304 -0.862 . . . . 10.0 109.674 178.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.27 -42.94 92.71 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.371 -0.603 . . . . 10.0 109.371 179.042 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 55.7 mt -70.98 -27.5 63.75 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.592 -0.731 . . . . 10.0 109.76 178.43 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 482' ' ' GLN . . . . . 0.441 ' OE1' ' HA ' ' D' ' 479' ' ' ALA . 37.4 mt-30 -68.79 -47.09 67.0 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 108.725 -0.843 . . . . 10.0 108.725 177.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.6 -40.8 93.06 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.14 -0.689 . . . . 10.0 109.14 178.433 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -63.44 -38.85 97.01 Favored Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 110.571 -1.012 . . . . 10.0 110.571 178.18 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -68.05 -45.27 74.34 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 109.557 -0.534 . . . . 10.0 109.557 178.593 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 60.3 mtt85 -59.95 -42.25 93.65 Favored 'General case' 0 CA--C 1.515 -0.375 0 N-CA-C 109.829 -0.434 . . . . 10.0 109.829 178.673 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -46.54 88.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.711 -0.677 . . . . 10.0 109.345 178.243 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 16.1 tptm -63.04 -41.03 99.41 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.796 -0.638 . . . . 10.0 109.942 179.113 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 70.4 mt -64.91 -39.67 93.89 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.025 179.097 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 42.8 t60 -64.77 -45.65 85.47 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.99 -0.744 . . . . 10.0 108.99 178.121 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 -56.23 -42.2 76.93 Favored 'General case' 0 N--CA 1.457 -0.123 0 N-CA-C 108.45 -0.944 . . . . 10.0 108.45 178.054 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 50.4 mt -67.12 -42.64 84.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.281 -0.872 . . . . 10.0 110.961 179.304 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -57.55 -44.25 85.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.013 0.435 . . . . 10.0 110.87 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -73.24 7.95 1.94 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.855 -0.611 . . . . 10.0 111.712 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 495' ' ' LYS . . . . . 0.724 ' HE3' HD22 ' A' ' 279' ' ' LEU . 24.7 mttp -125.21 -44.33 1.89 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.144 0.497 . . . . 10.0 109.748 178.624 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 496' ' ' LEU . . . . . 0.559 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 95.4 mt -62.57 -26.49 68.61 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.677 -0.692 . . . . 10.0 111.834 -179.692 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 497' ' ' SER . . . . . 0.455 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 6.5 m -83.46 -62.59 0.28 Allowed Pre-proline 0 C--N 1.321 -0.658 0 C-N-CA 120.751 -0.379 . . . . 10.0 111.953 179.082 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 498' ' ' PRO . . . . . 0.455 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 21.7 Cg_endo -63.07 -48.65 6.07 Favored 'Trans proline' 0 C--N 1.358 1.054 0 C-N-CA 121.783 1.655 . . . . 10.0 112.116 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 499' ' ' LEU . . . . . 0.552 ' HB2' ' O ' ' D' ' 495' ' ' LYS . 42.7 mt -76.19 -27.02 56.73 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.853 0.359 . . . . 10.0 110.234 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 500' ' ' GLY . . . . . 0.559 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -67.19 -50.64 44.04 Favored Glycine 0 N--CA 1.446 -0.653 0 N-CA-C 110.083 -1.207 . . . . 10.0 110.083 178.492 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -66.6 -28.51 68.56 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 109.351 -0.611 . . . . 10.0 109.351 178.388 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 502' ' ' GLU . . . . . 0.418 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 30.6 tt0 -69.04 -45.54 70.19 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 109.235 -0.654 . . . . 10.0 109.235 178.451 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 503' ' ' MET . . . . . 0.51 ' HA ' ' HD2' ' D' ' 506' ' ' ARG . 83.8 mmm -61.05 -38.47 86.28 Favored 'General case' 0 CA--C 1.519 -0.228 0 N-CA-C 109.853 -0.425 . . . . 10.0 109.853 179.07 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 504' ' ' ARG . . . . . 0.408 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 92.5 mtt180 -69.05 -37.27 78.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.77 -0.65 . . . . 10.0 109.844 178.686 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -69.85 -36.19 75.34 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 109.462 -0.57 . . . . 10.0 109.462 178.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 506' ' ' ARG . . . . . 0.544 ' HD3' ' OE1' ' A' ' 268' ' ' GLU . 47.7 mtt180 -64.35 -41.69 96.62 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 107.327 -1.36 . . . . 10.0 107.327 177.019 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -60.5 -38.75 85.35 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.064 -0.971 . . . . 10.0 109.403 178.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 508' ' ' ARG . . . . . 0.408 ' HG3' ' O ' ' D' ' 504' ' ' ARG . 62.3 mtt180 -60.6 -47.61 85.44 Favored 'General case' 0 C--O 1.22 -0.457 0 N-CA-C 109.011 -0.737 . . . . 10.0 109.011 178.283 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 509' ' ' ALA . . . . . 0.64 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -65.78 -32.94 74.76 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.085 179.645 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 510' ' ' HIS . . . . . 0.421 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 4.1 m-70 -69.19 -55.53 10.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.939 -0.573 . . . . 10.0 109.601 178.77 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 511' ' ' VAL . . . . . 0.494 ' O ' ' HG3' ' D' ' 515' ' ' ARG . 58.3 t -64.31 -39.47 85.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.745 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -56.93 -43.99 82.02 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 109.477 -0.564 . . . . 10.0 109.477 178.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -61.64 -48.71 79.64 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.384 -0.826 . . . . 10.0 108.948 178.503 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 514' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' D' ' 510' ' ' HIS . 91.8 mt -58.43 -33.57 69.84 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.578 -0.737 . . . . 10.0 111.206 179.49 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 515' ' ' ARG . . . . . 0.494 ' HG3' ' O ' ' D' ' 511' ' ' VAL . 28.3 mtt180 -63.81 -28.37 69.81 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.82 0.343 . . . . 10.0 110.157 178.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.25 6.94 22.94 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.834 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 517' ' ' HIS . . . . . 0.402 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 32.6 m170 -117.72 -56.66 2.18 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.271 -0.422 . . . . 10.0 111.001 -179.585 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 79.8 mt -73.93 -51.68 15.3 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.121 -0.491 . . . . 10.0 111.624 -179.063 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 519' ' ' ALA . . . . . 0.68 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -50.46 -57.37 13.31 Favored Pre-proline 0 N--CA 1.466 0.344 0 N-CA-C 112.958 0.725 . . . . 10.0 112.958 -179.21 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 520' ' ' PRO . . . . . 0.68 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 43.0 Cg_exo -60.82 -41.21 47.61 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 121.988 1.792 . . . . 10.0 111.312 179.037 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -64.6 -42.76 95.35 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.297 -0.41 . . . . 10.0 111.492 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 522' ' ' SER . . . . . 0.413 ' HA ' HD12 ' D' ' 525' ' ' LEU . 7.3 p -63.98 -28.82 70.07 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.829 0.347 . . . . 10.0 110.82 179.327 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -70.21 -41.9 73.03 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 108.821 -0.807 . . . . 10.0 108.821 178.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -71.1 -31.43 67.78 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.243 -0.89 . . . . 10.0 109.132 178.33 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 525' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' D' ' 522' ' ' SER . 23.1 mt -63.08 -36.0 82.12 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 108.844 -0.799 . . . . 10.0 108.844 177.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 526' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' D' ' 526' ' ' ARG . 61.4 mtt85 -63.82 -37.82 88.81 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.537 -0.542 . . . . 10.0 109.537 178.672 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -65.19 -41.62 94.38 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.305 -0.628 . . . . 10.0 109.305 178.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 528' ' ' ARG . . . . . 0.574 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 92.5 mtt180 -67.49 -45.56 75.51 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.394 -0.821 . . . . 10.0 109.588 179.144 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 74.0 mt -63.26 -34.86 78.6 Favored 'General case' 0 C--O 1.219 -0.502 0 CA-C-N 115.713 -0.676 . . . . 10.0 110.147 179.102 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -64.19 -42.76 96.53 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 116.393 -0.367 . . . . 10.0 110.209 178.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -68.66 -38.35 80.35 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.407 -0.59 . . . . 10.0 109.407 178.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 532' ' ' ARG . . . . . 0.41 ' O ' ' HG ' ' D' ' 536' ' ' LEU . 7.4 ttm180 -65.93 -44.79 84.07 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.601 -0.727 . . . . 10.0 109.425 178.739 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 36.4 mt -66.04 -33.57 76.11 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 115.648 -0.705 . . . . 10.0 109.548 178.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -60.82 -44.72 96.54 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 108.505 -0.924 . . . . 10.0 108.505 178.398 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -70.42 -34.6 72.69 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.526 -0.761 . . . . 10.0 109.414 178.588 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 536' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' D' ' 532' ' ' ARG . 73.5 mt -68.44 -30.12 68.93 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.246 -0.433 . . . . 10.0 111.321 179.52 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -82.42 -35.88 27.18 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.194 -0.669 . . . . 10.0 109.194 178.593 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -68.0 -53.03 29.0 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.018 -0.734 . . . . 10.0 109.018 178.408 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -67.0 -34.25 77.34 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.462 -0.79 . . . . 10.0 109.279 178.669 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 540' ' ' GLY . . . . . 0.434 ' O ' ' HG ' ' D' ' 544' ' ' LEU . . . -63.16 -53.63 38.62 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 111.46 -0.656 . . . . 10.0 111.46 179.392 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 541' ' ' GLY . . . . . 0.6 ' HA2' HD12 ' D' ' 544' ' ' LEU . . . -58.81 -40.7 95.42 Favored Glycine 0 N--CA 1.451 -0.309 0 N-CA-C 111.211 -0.755 . . . . 10.0 111.211 178.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -63.85 -49.0 74.5 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 109.365 -0.605 . . . . 10.0 109.365 178.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 543' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' D' ' 543' ' ' ARG . 60.1 mtt85 -63.54 -31.14 72.22 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-N 115.998 -0.546 . . . . 10.0 111.3 179.622 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 544' ' ' LEU . . . . . 0.6 HD12 ' HA2' ' D' ' 541' ' ' GLY . 65.3 mt -62.82 -44.51 95.96 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.082 -0.711 . . . . 10.0 109.082 178.252 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -66.99 -41.3 87.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.731 -0.668 . . . . 10.0 109.984 178.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 546' ' ' GLU . . . . . 0.485 ' HG2' ' HG2' ' A' ' 227' ' ' GLU . 46.8 mt-10 -64.15 -47.35 80.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.598 178.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -58.86 -47.9 83.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.145 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -64.59 -41.54 96.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.102 -0.499 . . . . 10.0 111.183 179.685 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -61.09 -54.5 43.86 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.033 0.444 . . . . 10.0 110.067 179.17 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 550' ' ' LYS . . . . . 0.472 ' HD2' ' O ' ' D' ' 546' ' ' GLU . 0.0 OUTLIER -63.6 -30.61 71.7 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 116.086 -0.506 . . . . 10.0 110.621 179.76 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -68.98 -37.28 78.68 Favored 'General case' 0 CA--C 1.519 -0.243 0 N-CA-C 109.688 -0.486 . . . . 10.0 109.688 178.653 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 24.6 m -67.37 -45.52 76.03 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.982 -0.748 . . . . 10.0 108.982 178.477 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 553' ' ' GLU . . . . . 0.469 ' OE1' ' HE2' ' D' ' 550' ' ' LYS . 37.1 mt-10 -62.62 -40.82 98.17 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 109.17 -0.678 . . . . 10.0 109.17 178.413 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 43.3 t-80 -65.06 -38.75 91.84 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 109.201 -0.666 . . . . 10.0 109.201 178.382 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 36.9 tp -63.39 -40.76 98.1 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 109.779 -0.452 . . . . 10.0 109.779 178.709 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 14.4 m -65.23 -38.49 90.57 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 109.258 -0.645 . . . . 10.0 109.258 178.38 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 13.4 m -68.88 -33.45 73.8 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 108.861 -0.792 . . . . 10.0 108.861 178.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 40.0 mt -61.75 -49.83 74.84 Favored 'General case' 0 C--O 1.221 -0.417 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.771 178.71 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.41 -32.23 72.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.935 0.397 . . . . 10.0 110.2 178.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -64.2 -26.21 68.42 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.722 -0.672 . . . . 10.0 110.37 179.101 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 7.0 mptt -101.65 -43.2 5.94 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.397 -0.365 . . . . 10.0 111.402 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -55.76 -46.41 77.89 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.083 0.401 . . . . 10.0 112.083 -179.107 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 24.0 mmtp -53.99 -63.13 2.89 Favored Pre-proline 0 CA--C 1.538 0.501 0 N-CA-C 112.823 0.675 . . . . 10.0 112.823 -179.608 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -66.35 -35.26 32.09 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 121.743 1.629 . . . . 10.0 112.76 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 565' ' ' ALA . . . . . 0.51 ' O ' ' HB2' ' D' ' 569' ' ' LEU . . . -65.9 -51.31 59.81 Favored 'General case' 0 C--O 1.226 -0.179 0 C-N-CA 121.228 -0.189 . . . . 10.0 110.955 -179.385 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 65.3 mt -63.53 -46.28 86.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.696 -0.229 . . . . 10.0 110.966 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -62.12 -48.07 81.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.754 0.311 . . . . 10.0 111.462 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -66.0 -38.32 88.17 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.938 -0.305 . . . . 10.0 110.721 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 569' ' ' LEU . . . . . 0.51 ' HB2' ' O ' ' D' ' 565' ' ' ALA . 1.5 mt -63.0 -45.15 93.75 Favored 'General case' 0 C--O 1.225 -0.217 0 N-CA-C 109.28 -0.637 . . . . 10.0 109.28 178.533 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 570' ' ' ARG . . . . . 0.47 ' O ' ' HG ' ' D' ' 574' ' ' LEU . 81.3 mtt180 -61.64 -44.8 96.29 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.352 179.078 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -72.23 -13.73 61.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.474 -0.33 . . . . 10.0 111.562 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -95.16 -36.34 5.48 Favored Glycine 0 N--CA 1.449 -0.478 0 N-CA-C 111.187 -0.765 . . . . 10.0 111.187 179.016 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 573' ' ' LEU . . . . . 0.628 ' HA ' HG12 ' D' ' 576' ' ' VAL . 92.9 mt -72.52 -34.91 67.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.86 -0.17 . . . . 10.0 111.035 179.424 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 574' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' D' ' 570' ' ' ARG . 73.7 mt -50.77 -56.97 15.17 Favored Pre-proline 0 CA--C 1.536 0.44 0 N-CA-C 112.747 0.647 . . . . 10.0 112.747 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 575' ' ' PRO . . . . . 0.412 ' HD3' ' HB2' ' D' ' 574' ' ' LEU . 61.2 Cg_endo -74.94 -32.19 5.68 Favored 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 121.722 1.615 . . . . 10.0 112.181 179.635 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 576' ' ' VAL . . . . . 0.628 HG12 ' HA ' ' D' ' 573' ' ' LEU . 0.4 OUTLIER -67.3 -37.54 79.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 C-N-CA 120.998 -0.281 . . . . 10.0 111.472 -179.434 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 57.2 mt -64.14 -38.19 90.16 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 109.866 -0.42 . . . . 10.0 109.866 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 578' ' ' GLU . . . . . 0.421 ' O ' HG23 ' D' ' 582' ' ' VAL . 19.5 mm-40 -67.38 -42.45 83.37 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.152 179.165 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 55.7 m -63.54 -40.95 98.33 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 109.288 -0.634 . . . . 10.0 109.288 178.445 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -62.77 -40.83 98.53 Favored 'General case' 0 N--CA 1.457 -0.111 0 CA-C-N 115.968 -0.56 . . . . 10.0 109.945 178.392 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -58.63 -47.44 84.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.054 178.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 582' ' ' VAL . . . . . 0.421 HG23 ' O ' ' D' ' 578' ' ' GLU . 93.8 t -57.45 -48.99 81.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.607 -0.724 . . . . 10.0 110.64 179.636 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 5.7 p -65.82 -36.88 84.75 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.378 -0.373 . . . . 10.0 111.827 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 14.1 m-30 -70.04 -37.33 75.55 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.436 -0.347 . . . . 10.0 111.194 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 585' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' D' ' 585' ' ' LEU . 30.5 mt -61.04 -44.91 96.69 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.793 179.492 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.02 -36.41 77.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.388 0.613 . . . . 10.0 110.144 179.138 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 587' ' ' ALA . . . . . 0.739 ' HA ' ' HE2' ' A' ' 396' ' ' LYS . . . -63.76 -50.24 69.83 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.57 -0.741 . . . . 10.0 110.57 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 588' ' ' LEU . . . . . 0.433 HD22 ' H50' ' D' ' 630' ' ' 17F . 90.6 mt -62.06 -44.7 96.13 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.939 -0.573 . . . . 10.0 111.404 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -60.6 -52.27 65.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 10.0 111.009 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 590' ' ' GLU . . . . . 0.621 ' O ' ' HD3' ' D' ' 594' ' ' LYS . 6.2 mt-10 -63.13 -39.54 94.97 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 116.48 -0.327 . . . . 10.0 111.688 -179.547 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 2.4 m-30 -62.91 -40.14 96.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.987 0.422 . . . . 10.0 110.461 179.089 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 12.4 m -72.06 -25.15 61.67 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.2 -0.454 . . . . 10.0 110.272 179.074 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -70.86 -40.72 72.13 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.397 0.618 . . . . 10.0 109.531 178.482 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 594' ' ' LYS . . . . . 0.831 ' HE3' ' HB2' ' A' ' 388' ' ' SER . 11.4 mptt -71.83 -49.99 33.59 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.604 -0.726 . . . . 10.0 109.593 179.317 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 96.7 mt -90.11 61.08 5.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.894 -0.594 . . . . 10.0 109.958 179.105 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 . . . . . 0 C--N 1.321 -0.635 0 CA-C-N 115.615 -0.721 . . . . 10.0 111.432 -179.355 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 3.8 m . . . . . 0 C--O 1.233 0.233 0 CA-C-O 120.874 0.368 . . . . 10.0 110.929 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' THR . . . . . 0.419 ' HB ' ' CE2' ' B' ' 4' ' ' TYR . 0.2 OUTLIER -81.94 132.32 35.26 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.341 -0.39 . . . . 10.0 110.439 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -98.83 126.8 44.58 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.198 -0.297 . . . . 10.0 110.198 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' TYR . . . . . 0.456 ' CD2' ' HB3' ' B' ' 51' ' ' CYS . 96.6 m-85 -121.72 110.96 16.58 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.849 0.357 . . . . 10.0 110.796 -179.374 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.665 ' HA ' ' HB3' ' B' ' 54' ' ' ASP . 58.8 mttm -83.48 101.13 11.19 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.923 -0.58 . . . . 10.0 110.247 179.526 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.551 ' O ' ' HA ' ' B' ' 55' ' ' ILE . 26.1 mt -110.29 123.95 50.75 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.698 -0.683 . . . . 10.0 110.577 -178.661 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 7' ' ' VAL . . . . . 0.512 HG11 ' CD2' ' B' ' 71' ' ' TYR . 23.5 t -108.71 132.81 55.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.415 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.511 HG12 ' HD2' ' B' ' 16' ' ' LYS . 21.7 t -96.14 118.59 42.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 109.157 -0.683 . . . . 10.0 109.157 179.758 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 26.4 m -115.74 156.8 16.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.264 -0.425 . . . . 10.0 111.642 -179.074 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 156.16 164.49 13.39 Favored Glycine 0 N--CA 1.444 -0.826 0 N-CA-C 110.866 -0.893 . . . . 10.0 110.866 -179.241 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.23 -176.68 1.52 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.13 0.49 . . . . 10.0 111.607 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -76.77 137.07 39.06 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.033 -0.53 . . . . 10.0 111.937 -179.291 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' GLY . . . . . 0.504 ' HA2' " C5'" ' B' ' 201' ' ' GSP . . . 68.61 41.23 84.77 Favored Glycine 0 N--CA 1.453 -0.192 0 CA-C-N 115.354 -0.839 . . . . 10.0 114.569 178.482 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.647 ' HA ' ' HB2' ' B' ' 83' ' ' ALA . 30.9 m -106.92 -15.01 9.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 C-N-CA 120.489 -0.484 . . . . 10.0 111.498 179.472 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 15' ' ' GLY . . . . . 0.517 ' HA3' HD22 ' B' ' 116' ' ' ASN . . . 113.17 16.73 8.17 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.878 -0.677 . . . . 10.0 112.977 179.32 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.649 ' HB2' ' O3B' ' B' ' 201' ' ' GSP . 2.5 mmmm -54.66 -58.52 7.18 Favored 'General case' 0 N--CA 1.462 0.132 0 N-CA-C 112.428 0.529 . . . . 10.0 112.428 -179.323 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 2.0 m -67.26 -41.06 86.17 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.061 0.393 . . . . 10.0 112.061 -178.616 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' ALA . . . . . 0.552 ' HB3' ' H8 ' ' B' ' 201' ' ' GSP . . . -58.0 -51.87 67.87 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.553 -0.294 . . . . 10.0 111.56 -179.338 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.617 HD23 ' HB2' ' B' ' 146' ' ' ALA . 65.7 mt -60.45 -47.42 86.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.36 -0.382 . . . . 10.0 111.834 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 24.3 m -64.46 -44.44 91.05 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.292 -0.413 . . . . 10.0 112.075 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 88.0 mt -67.14 -30.39 49.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.865 0.364 . . . . 10.0 110.586 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' GLN . . . . . 0.584 ' HG3' ' HB1' ' B' ' 146' ' ' ALA . 7.6 mm-40 -63.91 -25.75 68.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.973 0.416 . . . . 10.0 111.611 179.026 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 14.3 tp -92.39 -26.62 17.95 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.059 0.457 . . . . 10.0 110.864 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 49.1 mm -90.08 -59.89 2.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 112.51 0.559 . . . . 10.0 112.51 -179.05 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -95.32 -15.08 23.39 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.561 0.22 . . . . 10.0 111.51 -178.631 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' ASN . . . . . 0.504 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 11.6 m-80 63.2 53.02 2.33 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 114.065 1.135 . . . . 10.0 114.065 178.274 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 19.5 p80 -157.25 156.33 32.3 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.735 -0.469 . . . . 10.0 109.735 178.553 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -95.76 129.56 42.95 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.389 0.614 . . . . 10.0 111.912 -179.19 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -99.91 101.58 12.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.767 -0.651 . . . . 10.0 110.598 179.268 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -73.6 -24.92 60.12 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.365 0.603 . . . . 10.0 112.008 -179.447 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -85.3 117.28 24.13 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.755 -0.657 . . . . 10.0 110.451 179.301 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -66.35 124.45 22.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.012 0.434 . . . . 10.0 111.371 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -125.25 113.01 26.1 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.963 -0.562 . . . . 10.0 109.76 179.029 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -60.5 127.49 22.96 Favored 'Trans proline' 0 CA--C 1.518 -0.284 0 C-N-CA 122.93 2.42 . . . . 10.0 112.059 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.446 ' OG1' ' O3G' ' B' ' 201' ' ' GSP . 4.9 m -107.62 126.07 52.11 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.186 179.581 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 39.6 mm -88.32 -48.54 14.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 108.548 -0.908 . . . . 10.0 108.548 178.721 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -172.94 103.53 0.14 Allowed 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.389 -0.823 . . . . 10.0 109.569 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -125.61 141.71 51.88 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.568 0.223 . . . . 10.0 111.01 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -114.84 143.13 45.6 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.69 0.281 . . . . 10.0 110.722 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -136.97 134.57 36.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.819 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -114.34 140.95 48.22 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.821 0.343 . . . . 10.0 110.999 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -154.38 136.16 14.46 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.187 -0.46 . . . . 10.0 110.439 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -107.97 113.59 26.9 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.11 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 3.5 t -125.34 150.14 30.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.374 -0.376 . . . . 10.0 110.579 -179.347 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 2.7 t -88.82 68.92 0.64 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.412 0 CA-C-O 121.594 0.712 . . . . 10.0 109.567 179.251 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' ILE . . . . . 0.595 HD13 HG21 ' B' ' 160' ' ' VAL . 64.2 mt -72.41 115.88 13.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.026 -0.988 . . . . 10.0 111.171 -179.163 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 61.79 22.23 12.84 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.715 -0.675 . . . . 10.0 112.349 179.269 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.92 -6.14 76.44 Favored Glycine 0 C--O 1.226 -0.395 0 C-N-CA 120.804 -0.713 . . . . 10.0 111.665 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -102.84 124.85 49.12 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.614 -0.513 . . . . 10.0 109.614 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 3.1 m -73.95 102.67 4.19 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.098 -0.704 . . . . 10.0 109.098 179.468 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' CYS . . . . . 0.456 ' HB3' ' CD2' ' B' ' 4' ' ' TYR . 3.3 m -107.26 136.9 46.3 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.217 0.451 . . . . 10.0 112.217 -177.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 53.5 tp -98.82 107.72 20.23 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 107.762 -1.199 . . . . 10.0 107.762 177.5 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 48.9 mt -83.36 123.1 29.31 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.977 -0.556 . . . . 10.0 112.436 -178.387 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 54' ' ' ASP . . . . . 0.665 ' HB3' ' HA ' ' B' ' 5' ' ' LYS . 19.6 t70 -104.86 88.31 2.87 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 107.317 -1.364 . . . . 10.0 107.317 177.819 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 55' ' ' ILE . . . . . 0.551 ' HA ' ' O ' ' B' ' 6' ' ' LEU . 9.7 mt -88.83 140.06 16.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 115.464 -0.789 . . . . 10.0 111.906 -177.801 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 32.5 tp -131.74 118.04 19.42 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.99 -0.55 . . . . 10.0 111.056 179.567 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -99.7 104.43 16.16 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.744 -0.836 . . . . 10.0 108.744 178.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.47 161.66 13.53 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.179 -0.464 . . . . 10.0 112.01 -178.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.37 139.42 58.76 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.076 -0.511 . . . . 10.0 111.71 -179.585 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -123.29 27.92 5.69 Favored Glycine 0 C--O 1.227 -0.298 0 CA-C-N 115.626 -0.716 . . . . 10.0 111.43 179.457 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -98.16 37.31 1.45 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.513 -0.343 . . . . 10.0 110.97 -179.171 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 59.54 -162.33 0.25 Allowed 'General case' 0 C--O 1.234 0.262 0 O-C-N 123.495 0.497 . . . . 10.0 110.984 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 71.98 -49.03 0.69 Allowed 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 113.419 0.896 . . . . 10.0 113.419 178.363 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 64' ' ' TYR . . . . . 0.45 ' HB3' ' HB3' ' B' ' 67' ' ' MET . 58.6 m-85 -76.27 85.47 3.07 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 114.105 1.15 . . . . 10.0 114.105 -178.268 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.97 -41.41 8.41 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.23 -0.896 . . . . 10.0 109.622 178.418 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.24 -39.62 39.71 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.769 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 67' ' ' MET . . . . . 0.45 ' HB3' ' HB3' ' B' ' 64' ' ' TYR . 27.8 ttt -64.56 -30.51 71.54 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.648 -0.705 . . . . 10.0 110.332 179.346 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 68' ' ' ARG . . . . . 0.617 ' HA ' ' CE1' ' B' ' 71' ' ' TYR . 12.4 ttp180 -69.5 -36.29 76.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.73 -0.668 . . . . 10.0 110.262 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.9 -20.36 65.78 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.506 -0.77 . . . . 10.0 111.974 -179.708 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -78.77 -63.46 1.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.494 0.553 . . . . 10.0 112.494 -178.714 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 71' ' ' TYR . . . . . 0.617 ' CE1' ' HA ' ' B' ' 68' ' ' ARG . 37.4 p90 -66.16 -18.27 65.24 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 113.333 0.864 . . . . 10.0 113.333 -178.154 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 72' ' ' MET . . . . . 0.669 ' HA ' ' HZ ' ' B' ' 78' ' ' PHE . 22.5 mtt -67.43 -27.9 67.44 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.045 0.45 . . . . 10.0 110.07 178.695 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -75.34 -42.13 55.01 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.69 -0.686 . . . . 10.0 110.616 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 4.2 m -75.51 -44.1 45.48 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.089 -0.505 . . . . 10.0 112.001 -179.619 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -59.94 132.18 50.78 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 121.194 -0.526 . . . . 10.0 112.841 -179.579 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -96.19 -54.71 3.2 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 121.106 0.479 . . . . 10.0 109.73 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -103.02 134.02 11.66 Favored Glycine 0 N--CA 1.447 -0.579 0 N-CA-C 110.869 -0.892 . . . . 10.0 110.869 179.251 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 78' ' ' PHE . . . . . 0.669 ' HZ ' ' HA ' ' B' ' 72' ' ' MET . 58.5 m-85 -114.11 123.87 50.7 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.631 0.729 . . . . 10.0 112.481 -179.024 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.493 HD13 HD22 ' B' ' 159' ' ' LEU . 16.2 tp -97.71 107.94 20.55 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.22 -0.9 . . . . 10.0 109.092 179.186 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 16.4 m -87.95 96.54 10.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.312 -0.404 . . . . 10.0 110.319 -179.253 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 70.0 t -100.89 123.77 54.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.672 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 82' ' ' PHE . . . . . 0.72 ' HB2' ' HB2' ' B' ' 89' ' ' SER . 19.4 p90 -132.61 145.22 50.92 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.61 179.508 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.647 ' HB2' ' HA ' ' B' ' 14' ' ' VAL . . . -82.29 122.17 27.6 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 108.695 -0.854 . . . . 10.0 108.695 178.73 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 84' ' ' ILE . . . . . 0.598 HD11 ' HA ' ' B' ' 118' ' ' CYS . 46.6 pt -65.94 -9.76 9.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 112.509 0.559 . . . . 10.0 112.509 -178.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 23.4 p-10 -101.33 6.36 42.69 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.063 0.458 . . . . 10.0 110.96 179.463 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 42.3 t-20 -135.29 111.38 9.57 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.028 0.442 . . . . 10.0 110.356 179.485 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 4.5 m -65.11 -30.98 71.96 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.775 0.657 . . . . 10.0 112.775 -178.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 47.4 tttp -58.53 -41.59 85.87 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 121.056 -0.258 . . . . 10.0 111.368 -179.392 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 89' ' ' SER . . . . . 0.72 ' HB2' ' HB2' ' B' ' 82' ' ' PHE . 0.1 OUTLIER -59.85 -41.64 91.87 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.585 -0.28 . . . . 10.0 110.956 -179.864 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -64.35 -35.32 80.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.167 0.508 . . . . 10.0 110.801 -179.63 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.547 ' OE2' ' HG2' ' C' ' 184' ' ' LYS . 42.8 mt-10 -78.66 -35.41 45.35 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.861 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.45 -32.26 72.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.883 -0.599 . . . . 10.0 111.235 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 93' ' ' ILE . . . . . 0.606 HG12 ' O ' ' B' ' 89' ' ' SER . 46.5 mm -61.92 -35.07 66.04 Favored 'Isoleucine or valine' 0 C--O 1.231 0.125 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.829 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -64.3 -37.81 88.82 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 109.869 -0.419 . . . . 10.0 109.869 179.649 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 61.3 m80 -64.44 -44.86 89.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.039 -0.528 . . . . 10.0 109.726 179.237 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 13.3 m-30 -62.54 -45.21 93.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.333 -0.849 . . . . 10.0 111.458 -179.458 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -55.74 -47.44 76.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.18 -0.464 . . . . 10.0 111.807 -179.411 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -70.02 -43.43 71.33 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.098 0.407 . . . . 10.0 112.098 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 99' ' ' GLN . . . . . 0.541 ' HG2' ' SD ' ' B' ' 72' ' ' MET . 62.8 tt0 -60.99 -40.21 92.64 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.627 0.251 . . . . 10.0 110.824 179.748 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 55.8 mt -56.77 -45.08 82.89 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-O 121.094 0.473 . . . . 10.0 110.038 179.221 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 101' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' B' ' 105' ' ' ASP . 43.1 mtmt -70.03 -18.13 63.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.01 -0.541 . . . . 10.0 111.364 -179.605 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 8.4 tmm_? -88.01 -29.77 20.47 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.245 179.306 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 103' ' ' VAL . . . . . 0.433 HG23 ' O ' ' B' ' 99' ' ' GLN . 89.5 t -80.27 -55.65 8.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.266 -0.425 . . . . 10.0 111.662 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -81.91 -17.99 45.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.629 -0.259 . . . . 10.0 111.293 -179.283 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 105' ' ' ASP . . . . . 0.407 ' HA ' ' O ' ' B' ' 101' ' ' LYS . 23.4 t0 61.27 44.22 10.0 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.47 0.652 . . . . 10.0 111.801 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 9.7 t -140.15 143.37 36.12 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.927 -0.579 . . . . 10.0 110.305 179.204 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 107' ' ' GLU . . . . . 0.524 ' OE1' ' HG3' ' C' ' 178' ' ' LYS . 17.8 tp10 -86.31 -34.41 20.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.818 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.16 92.3 9.14 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.99 0.424 . . . . 10.0 111.446 -179.045 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 47.3 t -125.81 118.06 24.22 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 115.664 -0.698 . . . . 10.0 109.448 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -59.06 112.06 1.1 Allowed 'Trans proline' 0 N--CA 1.473 0.307 0 C-N-CA 123.034 2.489 . . . . 10.0 112.113 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 111' ' ' MET . . . . . 0.616 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 60.6 mtm -137.6 146.26 43.77 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.176 -0.465 . . . . 10.0 110.477 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 50.2 t -125.72 129.89 72.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.534 -0.543 . . . . 10.0 109.534 179.163 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 31.4 tp -89.86 115.8 27.46 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.174 -0.676 . . . . 10.0 109.174 178.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 77.2 t -114.19 115.21 48.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 121.159 0.504 . . . . 10.0 111.766 -178.225 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -91.87 112.78 4.24 Favored Glycine 0 N--CA 1.445 -0.744 0 N-CA-C 109.412 -1.475 . . . . 10.0 109.412 178.322 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 116' ' ' ASN . . . . . 0.517 HD22 ' HA3' ' B' ' 15' ' ' GLY . 67.2 t30 -98.22 161.64 13.6 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 117.118 0.459 . . . . 10.0 112.135 -178.158 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 58.4 mttm 69.64 35.35 2.45 Favored 'General case' 0 N--CA 1.462 0.137 0 O-C-N 124.016 0.823 . . . . 10.0 111.942 179.375 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 118' ' ' CYS . . . . . 0.598 ' HA ' HD11 ' B' ' 84' ' ' ILE . 97.4 m -68.1 -22.09 64.92 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.358 0.503 . . . . 10.0 112.358 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -72.62 -21.2 61.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.747 0.308 . . . . 10.0 110.975 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 23.6 mt -65.79 132.95 94.91 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 10.0 111.317 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -75.88 143.73 26.68 Favored 'Trans proline' 0 N--CA 1.462 -0.344 0 C-N-CA 122.647 2.232 . . . . 10.0 112.28 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 2.3 m 62.54 67.4 0.71 Allowed 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.216 -0.902 . . . . 10.0 111.775 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -72.65 159.22 34.21 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.432 -0.804 . . . . 10.0 111.378 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 1.3 m -95.01 -47.91 6.2 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.233 -0.439 . . . . 10.0 111.149 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 125' ' ' VAL . . . . . 0.406 HG13 ' HG3' ' B' ' 129' ' ' GLN . 77.9 t -89.78 109.94 21.17 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 CA-C-O 121.195 0.522 . . . . 10.0 109.891 178.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 126' ' ' ASP . . . . . 0.477 ' HB3' ' HG2' ' B' ' 128' ' ' LYS . 0.2 OUTLIER -74.6 153.23 39.08 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.72 -0.673 . . . . 10.0 110.046 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 4.1 m -54.73 -34.62 62.72 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.123 -0.49 . . . . 10.0 111.125 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 128' ' ' LYS . . . . . 0.772 ' CB ' ' HA ' ' C' ' 47' ' ' ASP . 9.9 pttm -57.9 -62.13 2.03 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.668 -0.696 . . . . 10.0 112.835 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 129' ' ' GLN . . . . . 0.436 ' H ' ' HG3' ' B' ' 128' ' ' LYS . 4.9 pt20 -61.75 -31.31 71.48 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.066 0.395 . . . . 10.0 112.066 -178.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.32 -45.83 89.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.425 -0.352 . . . . 10.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 13.7 tp60 -82.58 -20.48 36.43 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 120.878 0.37 . . . . 10.0 110.409 179.397 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -60.4 -40.64 91.67 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.813 -0.63 . . . . 10.0 110.673 179.262 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 27.6 tp -71.82 -23.99 61.64 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.926 -0.579 . . . . 10.0 111.011 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 134' ' ' ALA . . . . . 0.54 ' HA ' ' HB2' ' B' ' 137' ' ' TYR . . . -81.32 -7.22 59.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.067 -0.515 . . . . 10.0 112.11 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 42.9 ttm105 -57.9 -57.17 13.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.098 -0.501 . . . . 10.0 111.731 -179.429 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 5.9 t -89.78 18.51 5.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.277 0.561 . . . . 10.0 110.738 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 137' ' ' TYR . . . . . 0.54 ' HB2' ' HA ' ' B' ' 134' ' ' ALA . 3.6 m-30 -106.85 -54.4 2.48 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.868 -0.605 . . . . 10.0 109.997 179.214 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 101.4 -4.38 54.57 Favored Glycine 0 N--CA 1.452 -0.249 0 N-CA-C 111.422 -0.671 . . . . 10.0 111.422 -178.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 139' ' ' ILE . . . . . 0.403 HG12 ' HB3' ' B' ' 137' ' ' TYR . 36.6 pt -89.06 153.45 49.13 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 115.702 -0.249 . . . . 10.0 110.441 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -91.51 143.67 3.04 Favored 'Trans proline' 0 N--CA 1.456 -0.71 0 C-N-CA 122.535 2.157 . . . . 10.0 112.57 179.67 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -110.46 129.55 55.75 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.61 -0.723 . . . . 10.0 109.646 178.461 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 42.3 mt -125.18 130.92 72.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.572 -0.285 . . . . 10.0 111.002 -179.568 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 143' ' ' GLU . . . . . 0.471 ' HB3' ' SG ' ' B' ' 118' ' ' CYS . 36.2 mt-10 -87.07 121.16 29.15 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.575 -0.898 . . . . 10.0 108.575 178.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 144' ' ' THR . . . . . 0.676 HG22 ' HA3' ' B' ' 151' ' ' GLY . 59.3 p -135.28 -178.52 5.14 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.157 0.503 . . . . 10.0 112.164 -178.268 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 145' ' ' SER . . . . . 0.424 ' HB3' ' OG1' ' B' ' 148' ' ' THR . 0.1 OUTLIER -169.68 124.06 0.79 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.117 -0.947 . . . . 10.0 108.647 178.884 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 146' ' ' ALA . . . . . 0.617 ' HB2' HD23 ' B' ' 19' ' ' LEU . . . -66.38 -30.73 71.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.243 0.544 . . . . 10.0 110.604 -178.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -65.42 -36.64 84.54 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.638 -0.71 . . . . 10.0 112.492 -179.34 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 148' ' ' THR . . . . . 0.424 ' OG1' ' HB3' ' B' ' 145' ' ' SER . 0.7 OUTLIER -96.3 -16.15 21.51 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 113.321 0.86 . . . . 10.0 113.321 -178.466 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 149' ' ' ARG . . . . . 0.529 ' HD2' HG21 ' B' ' 152' ' ' VAL . 6.1 tpt180 63.78 41.55 6.81 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.677 0.751 . . . . 10.0 110.309 -179.305 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -121.04 122.02 39.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.785 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 151' ' ' GLY . . . . . 0.676 ' HA3' HG22 ' B' ' 144' ' ' THR . . . 93.67 -9.25 73.84 Favored Glycine 0 N--CA 1.45 -0.376 0 CA-C-N 115.796 -0.638 . . . . 10.0 113.139 179.565 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 152' ' ' VAL . . . . . 0.529 HG21 ' HD2' ' B' ' 149' ' ' ARG . 3.9 t -57.24 -63.96 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 CA-C-O 121.019 0.438 . . . . 10.0 111.193 -179.703 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -62.04 -29.23 70.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.976 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -64.44 -54.9 25.4 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.898 -0.592 . . . . 10.0 111.211 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -63.45 -45.56 90.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.922 -0.581 . . . . 10.0 112.043 -179.26 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -58.39 -44.36 88.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.563 -0.29 . . . . 10.0 111.346 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 157' ' ' TYR . . . . . 0.513 ' HE2' ' HB3' ' C' ' 128' ' ' LYS . 3.1 m-85 -65.27 -41.38 94.26 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.525 179.489 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 60.3 m -62.84 -40.2 96.72 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.832 -0.622 . . . . 10.0 111.342 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 159' ' ' LEU . . . . . 0.493 HD22 HD13 ' B' ' 79' ' ' LEU . 42.6 tp -60.95 -45.37 95.01 Favored 'General case' 0 C--N 1.334 -0.089 0 CA-C-O 120.865 0.364 . . . . 10.0 110.779 179.517 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 160' ' ' VAL . . . . . 0.715 ' HA ' HD12 ' B' ' 163' ' ' ILE . 60.0 t -66.82 -38.17 80.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.945 -0.571 . . . . 10.0 110.434 179.378 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 161' ' ' ARG . . . . . 0.513 ' HB3' ' HG3' ' C' ' 135' ' ' ARG . 46.6 mtm-85 -66.15 -30.97 71.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.094 -0.503 . . . . 10.0 111.079 178.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -65.18 -33.82 76.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.237 0.541 . . . . 10.0 109.926 178.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 163' ' ' ILE . . . . . 0.715 HD12 ' HA ' ' B' ' 160' ' ' VAL . 19.9 mt -70.27 -40.78 78.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.6 -0.727 . . . . 10.0 109.353 179.057 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 40.8 mtt85 -70.42 -35.29 73.32 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.417 -0.586 . . . . 10.0 109.417 178.515 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 165' ' ' LYS . . . . . 0.512 ' HB2' ' HD3' ' C' ' 135' ' ' ARG . 28.3 ttmt -61.28 -38.9 88.43 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-N 115.428 -0.805 . . . . 10.0 109.048 178.743 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 37.5 t-80 -59.18 -46.06 89.39 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.604 -0.725 . . . . 10.0 109.705 178.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -61.57 -49.07 78.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.009 -0.542 . . . . 10.0 110.739 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -65.6 -49.38 68.97 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.606 -0.724 . . . . 10.0 112.201 -178.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? -68.08 -42.16 80.79 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.128 0.788 . . . . 10.0 113.128 -178.207 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 42.7 ttm -62.08 -31.42 71.85 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 111.916 0.339 . . . . 10.0 111.916 -179.534 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 49.9 m -62.21 -28.35 69.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.849 0.356 . . . . 10.0 110.85 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -92.33 -37.24 12.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 10.0 109.875 178.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 173' ' ' ASP . . . . . . . . . . . . . 24.0 t70 73.04 -67.91 0.25 Allowed 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.829 0.852 . . . . 10.0 112.361 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . 142.22 -39.05 1.41 Allowed Glycine 0 N--CA 1.448 -0.5 0 N-CA-C 110.827 -0.909 . . . . 10.0 110.827 -179.123 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 175' ' ' LYS . . . . . . . . . . . . . 35.7 mmtt -129.28 168.02 16.84 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.004 -0.739 . . . . 10.0 109.004 178.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 176' ' ' LYS . . . . . 0.82 ' H ' ' H8A' ' A' ' 415' ' ' 17F . 4.6 mmtp 60.04 35.28 21.42 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 123.476 0.485 . . . . 10.0 110.895 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 177' ' ' LYS . . . . . 0.418 ' HB3' ' H ' ' B' ' 178' ' ' LYS . 20.6 ttmt -168.47 -88.21 0.01 OUTLIER 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.165 -0.47 . . . . 10.0 111.793 -179.696 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 178' ' ' LYS . . . . . 0.868 ' HG3' ' H6A' ' A' ' 415' ' ' 17F . 18.6 mmtt 48.9 46.24 22.18 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 121.401 0.619 . . . . 10.0 110.312 -179.375 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 179' ' ' LYS . . . . . 0.551 ' HE3' ' O1P' ' A' ' 404' ' ' PCW . 24.8 tttt -88.9 111.88 22.62 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.807 -0.633 . . . . 10.0 112.357 -177.454 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 180' ' ' LYS . . . . . 0.504 ' HD2' ' HA ' ' B' ' 180' ' ' LYS . 27.4 tptt -170.33 38.9 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.725 -0.67 . . . . 10.0 109.73 179.284 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 2.5 m -114.39 154.92 27.25 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.786 -0.643 . . . . 10.0 110.284 -179.54 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 33.2 mmtt -131.2 135.53 47.48 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.838 0.351 . . . . 10.0 111.463 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 183' ' ' THR . . . . . 0.604 ' OG1' ' H51' ' A' ' 403' ' ' PCW . 0.2 OUTLIER -104.48 156.28 18.08 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.643 -0.503 . . . . 10.0 109.643 179.277 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 184' ' ' LYS . . . . . . . . . . . . . 52.1 tttp . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.961 -179.787 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.233 0.217 0 CA-C-O 120.74 0.305 . . . . 10.0 110.65 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 2' ' ' THR . . . . . 0.515 ' HB ' ' CE2' ' C' ' 4' ' ' TYR . 0.1 OUTLIER -77.3 122.5 25.18 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.418 -179.68 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -94.43 140.54 29.69 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.39 -0.596 . . . . 10.0 109.39 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 4' ' ' TYR . . . . . 0.515 ' CE2' ' HB ' ' C' ' 2' ' ' THR . 98.3 m-85 -131.44 114.35 14.82 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.653 0.263 . . . . 10.0 110.921 -179.59 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 5' ' ' LYS . . . . . 0.655 ' HA ' ' HB3' ' C' ' 54' ' ' ASP . 29.2 mttm -78.42 115.09 17.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.895 179.586 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 6' ' ' LEU . . . . . 0.518 HD12 HG12 ' C' ' 55' ' ' ILE . 11.2 mt -116.05 121.04 41.01 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.077 -0.511 . . . . 10.0 111.349 -178.487 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 7' ' ' VAL . . . . . 0.522 HG23 ' HA3' ' C' ' 75' ' ' GLY . 87.6 t -107.02 119.88 57.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.139 -0.482 . . . . 10.0 109.844 179.553 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.558 HG12 ' HD2' ' C' ' 16' ' ' LYS . 39.9 t -88.82 111.53 22.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 109.677 -0.49 . . . . 10.0 109.677 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 4.3 m -112.29 147.18 16.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.42 -0.355 . . . . 10.0 110.649 -179.564 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.97 169.63 25.58 Favored Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 111.231 -0.748 . . . . 10.0 111.231 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.01 -175.25 1.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.996 0.427 . . . . 10.0 111.988 -179.306 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -85.17 142.75 29.24 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.023 -0.535 . . . . 10.0 111.948 -179.642 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 13' ' ' GLY . . . . . 1.0 ' HA2' H5'1 ' C' ' 201' ' ' GSP . . . 67.07 24.71 73.29 Favored Glycine 0 CA--C 1.519 0.285 0 CA-C-N 115.319 -0.855 . . . . 10.0 114.334 178.656 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 34.6 m -95.15 -12.62 8.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 117.346 0.573 . . . . 10.0 111.672 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 15' ' ' GLY . . . . . 0.604 ' HA2' ' H8 ' ' C' ' 201' ' ' GSP . . . 108.71 20.48 8.07 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.742 -0.742 . . . . 10.0 112.661 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 16' ' ' LYS . . . . . 0.558 ' HD2' HG12 ' C' ' 8' ' ' VAL . 5.8 mtmm -57.54 -48.43 79.33 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.02 0.438 . . . . 10.0 111.324 -179.71 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 3.2 m -79.91 -38.14 33.15 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.691 -0.686 . . . . 10.0 111.104 -179.296 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.41 -51.34 68.71 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.361 -0.381 . . . . 10.0 111.287 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 19' ' ' LEU . . . . . 0.505 ' HB3' ' HZ ' ' C' ' 156' ' ' PHE . 64.5 mt -61.66 -51.88 66.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.849 0.357 . . . . 10.0 111.66 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 19.3 m -58.57 -39.86 81.51 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.098 -0.501 . . . . 10.0 111.966 -179.297 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 51.1 mt -66.34 -30.88 51.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.886 0.374 . . . . 10.0 111.034 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 22' ' ' GLN . . . . . 0.714 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 4.7 mm-40 -66.29 -28.38 68.65 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.901 0.381 . . . . 10.0 111.068 179.456 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 53.4 tp -84.03 -38.86 20.35 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.018 0.437 . . . . 10.0 110.868 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 24' ' ' ILE . . . . . 0.424 HG13 ' CD2' ' C' ' 40' ' ' TYR . 40.8 mm -83.68 -69.69 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.092 -0.503 . . . . 10.0 111.846 -179.089 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -75.23 -22.77 57.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.448 . . . . 10.0 111.458 -178.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 26' ' ' ASN . . . . . 0.714 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 8.9 m-80 71.46 31.06 2.37 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 113.717 1.006 . . . . 10.0 113.717 178.46 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 3.8 p80 -146.56 158.37 43.89 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 110.003 -0.369 . . . . 10.0 110.003 178.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -94.91 130.52 41.49 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.718 0.294 . . . . 10.0 110.469 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 1.2 m -98.9 110.6 26.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.885 -0.598 . . . . 10.0 110.036 179.029 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -79.37 -15.98 57.01 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.356 0.598 . . . . 10.0 110.419 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -80.21 127.16 32.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.813 -0.63 . . . . 10.0 110.065 179.302 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 32' ' ' TYR . . . . . 0.567 ' HD1' H5'2 ' C' ' 201' ' ' GSP . 30.7 t80 -78.9 112.28 15.92 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.233 -0.439 . . . . 10.0 111.015 -179.33 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -117.78 109.08 41.87 Favored Pre-proline 0 C--O 1.239 0.511 0 CA-C-N 116.378 -0.373 . . . . 10.0 110.448 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_exo -72.82 94.17 0.79 Allowed 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 122.521 2.148 . . . . 10.0 111.293 179.389 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 35' ' ' THR . . . . . 0.417 ' OG1' ' O3G' ' C' ' 201' ' ' GSP . 0.0 OUTLIER -87.53 141.89 28.28 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.012 179.307 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 36' ' ' ILE . . . . . 0.704 ' HA ' ' HB2' ' C' ' 59' ' ' ALA . 37.5 mm -95.41 -45.67 13.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.215 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -159.69 103.2 1.54 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.23 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -117.74 137.92 52.38 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 120.736 -0.386 . . . . 10.0 111.113 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 3.7 m -101.84 136.37 41.79 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.449 -0.342 . . . . 10.0 111.534 -178.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 40' ' ' TYR . . . . . 0.683 ' HB2' ' HB ' ' C' ' 55' ' ' ILE . 98.5 m-85 -131.66 129.25 40.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.494 . . . . 10.0 110.183 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 41' ' ' ARG . . . . . 0.531 ' HA ' ' O ' ' C' ' 53' ' ' LEU . 0.5 OUTLIER -130.15 127.4 39.67 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 110.175 -0.305 . . . . 10.0 110.175 179.909 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 50.6 tttp -148.15 132.14 17.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.369 -0.378 . . . . 10.0 110.861 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -102.76 110.61 22.6 Favored 'General case' 0 C--N 1.323 -0.543 0 N-CA-C 110.291 -0.263 . . . . 10.0 110.291 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 6.7 m -130.09 174.45 12.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 120.798 0.333 . . . . 10.0 111.33 -179.581 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 17.4 t -99.47 107.12 20.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.069 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 59.9 mt -113.83 120.48 63.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.097 -0.501 . . . . 10.0 110.171 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 47' ' ' ASP . . . . . 0.772 ' HA ' ' CB ' ' B' ' 128' ' ' LYS . 65.9 m-20 61.92 33.58 17.37 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 123.793 0.683 . . . . 10.0 112.249 179.422 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.17 31.21 57.78 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.95 -0.643 . . . . 10.0 113.036 179.472 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -148.7 134.69 19.1 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.09 -0.337 . . . . 10.0 110.09 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 5.9 m -71.87 117.12 13.06 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 110.003 -0.369 . . . . 10.0 110.003 179.124 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 2.2 m -121.48 143.14 49.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.929 0.395 . . . . 10.0 111.677 -178.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 60.1 tp -101.91 111.41 23.67 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.112 -0.699 . . . . 10.0 109.112 178.644 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 53' ' ' LEU . . . . . 0.531 ' O ' ' HA ' ' C' ' 41' ' ' ARG . 38.3 mt -80.4 118.76 22.31 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.057 -0.519 . . . . 10.0 112.155 -179.284 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 54' ' ' ASP . . . . . 0.655 ' HB3' ' HA ' ' C' ' 5' ' ' LYS . 32.7 t70 -107.28 76.74 1.1 Allowed 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 107.476 -1.305 . . . . 10.0 107.476 177.763 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 55' ' ' ILE . . . . . 0.683 ' HB ' ' HB2' ' C' ' 40' ' ' TYR . 2.3 mt -87.99 148.4 4.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.193 -0.912 . . . . 10.0 112.362 -177.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 16.3 tp -138.86 121.88 16.75 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.762 -0.654 . . . . 10.0 110.52 179.319 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -90.18 114.37 26.32 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.775 -0.824 . . . . 10.0 108.775 179.359 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 62.1 p -94.96 170.19 9.6 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.077 -0.51 . . . . 10.0 112.137 -177.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 59' ' ' ALA . . . . . 0.704 ' HB2' ' HA ' ' C' ' 36' ' ' ILE . . . -90.75 127.77 36.44 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-O 121.098 0.475 . . . . 10.0 109.925 179.744 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -103.42 27.89 17.97 Favored Glycine 0 C--O 1.225 -0.46 0 C-N-CA 120.786 -0.721 . . . . 10.0 112.655 -179.492 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -96.58 15.88 20.39 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.549 0.214 . . . . 10.0 111.402 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 60.49 -162.21 0.27 Allowed 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 115.997 -0.547 . . . . 10.0 111.501 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 71.7 -39.64 0.45 Allowed 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 113.156 0.799 . . . . 10.0 113.156 179.087 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 64' ' ' TYR . . . . . 0.639 ' HB3' ' HB3' ' C' ' 67' ' ' MET . 74.8 m-85 -74.4 67.5 1.45 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.012 0.434 . . . . 10.0 112.167 -179.452 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 1.3 m -72.03 -37.1 69.8 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.506 179.712 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.32 -42.22 23.42 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.1 -0.5 . . . . 10.0 111.075 -179.175 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 67' ' ' MET . . . . . 0.639 ' HB3' ' HB3' ' C' ' 64' ' ' TYR . 19.2 ttt -61.6 -37.03 82.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.702 -0.681 . . . . 10.0 110.866 -179.549 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 68' ' ' ARG . . . . . 0.587 ' HA ' ' CE2' ' C' ' 71' ' ' TYR . 7.1 ttp180 -62.33 -39.8 94.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.165 -0.471 . . . . 10.0 110.921 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -63.93 -40.62 96.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.635 -0.712 . . . . 10.0 111.018 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -54.52 -58.04 9.01 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 113.64 0.978 . . . . 10.0 113.64 -178.725 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 71' ' ' TYR . . . . . 0.587 ' CE2' ' HA ' ' C' ' 68' ' ' ARG . 2.3 p90 -75.79 -16.78 60.06 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 113.152 0.797 . . . . 10.0 113.152 -178.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 72' ' ' MET . . . . . 0.497 ' HE3' ' HG2' ' C' ' 68' ' ' ARG . 32.2 mtt -68.42 -31.04 70.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.559 0.695 . . . . 10.0 110.417 179.338 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 73' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' C' ' 73' ' ' ARG . 41.1 mtm105 -80.3 -9.73 59.74 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.649 -0.705 . . . . 10.0 111.095 179.516 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -100.26 -52.2 3.45 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.392 -0.367 . . . . 10.0 111.403 -179.757 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 75' ' ' GLY . . . . . 0.522 ' HA3' HG23 ' C' ' 7' ' ' VAL . . . -59.95 140.18 48.11 Favored Glycine 0 N--CA 1.452 -0.29 0 CA-C-N 115.988 -0.551 . . . . 10.0 113.313 -179.022 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 76' ' ' GLU . . . . . 0.488 ' HG3' ' HB2' ' C' ' 5' ' ' LYS . 36.5 mt-10 -92.82 -43.27 9.09 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.081 0.467 . . . . 10.0 109.967 179.573 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -118.41 135.08 11.32 Favored Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 111.198 -0.761 . . . . 10.0 111.198 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 78' ' ' PHE . . . . . 0.658 ' HB2' ' HG2' ' C' ' 111' ' ' MET . 96.0 m-85 -109.1 124.59 51.03 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.218 0.532 . . . . 10.0 111.903 -178.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 79' ' ' LEU . . . . . 0.458 HD13 HD22 ' C' ' 159' ' ' LEU . 14.2 tp -96.13 104.26 16.2 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.576 -0.738 . . . . 10.0 109.32 179.494 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 80' ' ' CYS . . . . . 0.585 ' HB3' HD12 ' C' ' 93' ' ' ILE . 3.4 m -83.13 97.3 8.73 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.413 -0.358 . . . . 10.0 110.134 -179.619 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 45.4 t -99.78 125.08 53.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.261 -0.427 . . . . 10.0 111.708 -178.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 11.4 p90 -133.17 163.88 28.29 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.004 -0.544 . . . . 10.0 109.566 178.663 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 83' ' ' ALA . . . . . 0.445 ' HB3' ' HB3' ' C' ' 86' ' ' ASN . . . -103.34 130.76 50.71 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.676 -0.491 . . . . 10.0 109.676 179.612 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 84' ' ' ILE . . . . . 0.702 HD12 ' HB3' ' C' ' 123' ' ' ARG . 23.6 pt -63.51 -21.57 28.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.844 0.354 . . . . 10.0 111.571 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -96.27 8.13 44.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.642 179.367 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 86' ' ' ASN . . . . . 0.445 ' HB3' ' HB3' ' C' ' 83' ' ' ALA . 19.2 t-20 -132.57 94.89 3.5 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.137 0.494 . . . . 10.0 110.865 -179.1 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.45 -29.82 69.26 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.733 -0.667 . . . . 10.0 111.367 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -58.89 -48.17 82.36 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.99 179.655 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 77.8 p -64.23 -27.34 68.99 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-O 120.761 0.315 . . . . 10.0 111.344 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 90' ' ' PHE . . . . . 0.421 ' HB2' HG21 ' C' ' 125' ' ' VAL . 90.6 t80 -67.32 -42.79 83.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.025 -0.534 . . . . 10.0 109.717 179.314 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -70.64 -35.07 72.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.999 -0.546 . . . . 10.0 109.782 179.27 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.16 -30.23 68.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.48 -0.782 . . . . 10.0 111.355 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 93' ' ' ILE . . . . . 0.585 HD12 ' HB3' ' C' ' 80' ' ' CYS . 43.8 mm -57.3 -49.82 78.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-N 116.495 -0.321 . . . . 10.0 111.125 179.429 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 79.8 t60 -61.69 -42.27 98.71 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.116 0.484 . . . . 10.0 110.098 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 42.3 m170 -64.9 -32.93 74.88 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.715 -0.675 . . . . 10.0 111.207 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 18.5 m-30 -72.49 -49.81 30.43 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.348 179.045 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 97' ' ' ARG . . . . . 0.459 ' CZ ' ' HD3' ' C' ' 101' ' ' LYS . 23.4 ttt-85 -56.83 -41.46 77.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.512 -179.155 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -61.41 -34.35 75.22 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.295 -0.411 . . . . 10.0 111.429 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -78.94 -39.65 34.06 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-O 120.897 0.379 . . . . 10.0 110.001 178.7 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 92.6 mt -57.13 -46.48 84.57 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.764 179.616 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 101' ' ' LYS . . . . . 0.459 ' HD3' ' CZ ' ' C' ' 97' ' ' ARG . 35.1 mtmt -66.43 -27.72 68.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.087 -0.506 . . . . 10.0 111.157 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 15.3 ttm180 -79.28 -47.21 16.3 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.965 -0.561 . . . . 10.0 111.12 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 86.2 t -62.77 -41.01 90.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 10.0 111.211 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 7.8 mttp -88.08 -8.73 55.08 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.355 -0.384 . . . . 10.0 111.061 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 11.0 t70 54.56 56.96 6.19 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.699 -0.682 . . . . 10.0 112.01 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 35.3 t -165.28 142.06 5.68 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.715 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -80.03 -24.23 40.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.381 0.61 . . . . 10.0 109.604 179.007 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -102.43 110.2 22.07 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.735 -0.666 . . . . 10.0 111.505 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 57.7 t -141.61 129.4 11.86 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 115.275 -0.875 . . . . 10.0 108.926 179.309 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -60.43 114.21 2.02 Favored 'Trans proline' 0 C--O 1.236 0.381 0 C-N-CA 122.576 2.184 . . . . 10.0 112.182 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 111' ' ' MET . . . . . 0.658 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 29.7 mtm -141.78 151.19 42.62 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.844 -179.784 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 112' ' ' VAL . . . . . 0.422 HG21 ' HA ' ' C' ' 159' ' ' LEU . 42.1 t -134.22 129.31 53.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.178 179.366 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 113' ' ' LEU . . . . . 0.605 ' HB3' ' HD1' ' C' ' 141' ' ' PHE . 0.5 OUTLIER -85.36 124.95 32.55 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.416 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 70.1 t -122.89 117.87 53.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.09 0.471 . . . . 10.0 111.422 -179.204 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -101.03 99.06 1.91 Allowed Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 109.999 -1.24 . . . . 10.0 109.999 178.631 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 116' ' ' ASN . . . . . 0.448 ' ND2' ' HA3' ' C' ' 15' ' ' GLY . 66.4 t30 -83.16 165.86 19.13 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.846 0.313 . . . . 10.0 111.846 -178.148 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 117' ' ' LYS . . . . . 0.512 ' HE2' ' C4 ' ' C' ' 201' ' ' GSP . 82.6 mttt 64.09 30.29 13.91 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 123.166 0.587 . . . . 10.0 111.658 179.628 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 118' ' ' CYS . . . . . 0.629 ' HA ' HD13 ' C' ' 84' ' ' ILE . 0.7 OUTLIER -69.55 1.67 3.86 Favored 'General case' 0 N--CA 1.463 0.193 0 N-CA-C 112.917 0.71 . . . . 10.0 112.917 -179.338 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -105.19 -0.94 26.0 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.905 0.383 . . . . 10.0 110.629 179.105 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 120' ' ' LEU . . . . . 0.504 HD21 HN21 ' C' ' 201' ' ' GSP . 40.9 mt -87.77 134.87 34.64 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.222 -0.444 . . . . 10.0 110.505 179.417 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -68.81 156.24 66.06 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.882 2.388 . . . . 10.0 112.286 -179.364 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 19.8 m 61.71 72.9 0.49 Allowed 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 113.018 0.747 . . . . 10.0 113.018 179.561 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 123' ' ' ARG . . . . . 0.702 ' HB3' HD12 ' C' ' 84' ' ' ILE . 7.9 ptp180 -87.63 129.38 35.14 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.644 179.581 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -72.89 -45.44 58.22 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 120.751 0.31 . . . . 10.0 111.193 -179.742 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 125' ' ' VAL . . . . . 0.421 HG21 ' HB2' ' C' ' 90' ' ' PHE . 98.7 t -85.26 118.48 32.24 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.425 0 N-CA-C 109.436 -0.579 . . . . 10.0 109.436 178.614 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -67.65 148.0 51.94 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.908 -0.587 . . . . 10.0 109.654 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.16 -45.93 89.7 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.469 -0.332 . . . . 10.0 110.716 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 128' ' ' LYS . . . . . 0.513 ' HB3' ' HE2' ' B' ' 157' ' ' TYR . 14.2 ptpt -60.18 -48.39 81.92 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 113.095 0.776 . . . . 10.0 113.095 -179.097 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -67.94 -30.18 69.42 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.228 0.455 . . . . 10.0 112.228 -178.634 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.26 -41.79 66.34 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.709 -0.478 . . . . 10.0 109.709 179.23 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -67.71 -38.27 83.39 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.723 -0.671 . . . . 10.0 110.791 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -62.8 -37.47 86.86 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.836 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 7.0 tp -62.34 -42.98 99.83 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.749 -0.463 . . . . 10.0 109.749 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -68.47 -34.59 76.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.7 -0.682 . . . . 10.0 109.832 178.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 135' ' ' ARG . . . . . 0.513 ' HG3' ' HB3' ' B' ' 161' ' ' ARG . 6.6 tmm_? -61.28 -42.59 98.9 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.666 -0.697 . . . . 10.0 110.251 179.172 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 65.4 m -62.6 -33.68 75.48 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.123 -0.49 . . . . 10.0 110.828 179.567 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 21.8 m-30 -75.38 -32.14 60.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.834 -0.621 . . . . 10.0 109.845 179.085 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 94.77 26.31 13.31 Favored Glycine 0 N--CA 1.447 -0.571 0 N-CA-C 111.499 -0.64 . . . . 10.0 111.499 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 139' ' ' ILE . . . . . 0.606 ' HB ' ' HD2' ' C' ' 140' ' ' PRO . 29.2 pt -124.65 167.14 16.68 Favored Pre-proline 0 C--O 1.238 0.476 0 N-CA-C 110.49 -0.189 . . . . 10.0 110.49 -179.273 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 140' ' ' PRO . . . . . 0.606 ' HD2' ' HB ' ' C' ' 139' ' ' ILE . 86.7 Cg_endo -84.12 166.26 12.82 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.706 2.271 . . . . 10.0 112.802 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 141' ' ' PHE . . . . . 0.605 ' HD1' ' HB3' ' C' ' 113' ' ' LEU . 60.6 t80 -148.59 114.94 5.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.536 -0.756 . . . . 10.0 110.295 179.651 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 71.9 mt -117.95 135.84 57.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.018 0.437 . . . . 10.0 110.573 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 143' ' ' GLU . . . . . 0.405 ' HB3' ' SG ' ' C' ' 118' ' ' CYS . 37.3 mt-10 -69.27 140.14 54.42 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.459 -0.571 . . . . 10.0 109.459 179.075 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 144' ' ' THR . . . . . 0.461 HG22 HG22 ' C' ' 152' ' ' VAL . 0.0 OUTLIER -139.52 158.94 43.28 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.846 0.684 . . . . 10.0 112.846 -178.767 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 2.1 t -155.05 128.89 8.68 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.505 -0.77 . . . . 10.0 109.521 179.292 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -78.43 -14.25 59.47 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.228 0.537 . . . . 10.0 110.364 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -80.2 -48.34 13.26 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.68 -0.691 . . . . 10.0 111.019 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 148' ' ' THR . . . . . 0.404 ' HB ' ' HG3' ' C' ' 150' ' ' GLN . 38.8 p -90.87 -25.45 19.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.35 -0.386 . . . . 10.0 111.297 -179.261 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 9.6 ttt85 67.16 18.08 10.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.657 -0.701 . . . . 10.0 111.69 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 150' ' ' GLN . . . . . 0.404 ' HG3' ' HB ' ' C' ' 148' ' ' THR . 78.0 mt-30 -77.86 123.98 27.42 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.919 -0.582 . . . . 10.0 111.064 -179.661 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 74.5 -0.84 54.07 Favored Glycine 0 CA--C 1.517 0.187 0 CA-C-N 115.894 -0.594 . . . . 10.0 113.476 179.183 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 152' ' ' VAL . . . . . 0.461 HG22 HG22 ' C' ' 144' ' ' THR . 99.5 t -66.89 -45.55 87.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 120.55 0.214 . . . . 10.0 111.323 -179.131 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -57.76 -51.01 71.32 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.893 -0.594 . . . . 10.0 111.489 -179.007 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -69.69 -35.37 75.03 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.418 0.525 . . . . 10.0 112.418 -179.262 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -55.91 -42.39 75.96 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.669 0.271 . . . . 10.0 110.879 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 156' ' ' PHE . . . . . 0.505 ' HZ ' ' HB3' ' C' ' 19' ' ' LEU . 12.8 m-85 -67.3 -40.57 86.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.683 179.481 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 16.6 m-30 -68.71 -30.37 69.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.721 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 88.5 m -60.97 -33.2 72.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.994 -0.548 . . . . 10.0 111.479 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 159' ' ' LEU . . . . . 0.458 HD22 HD13 ' C' ' 79' ' ' LEU . 39.0 tp -63.57 -45.46 90.35 Favored 'General case' 0 C--O 1.23 0.078 0 CA-C-O 120.965 0.412 . . . . 10.0 110.072 179.361 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 79.4 t -64.86 -38.76 83.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.662 -0.699 . . . . 10.0 109.442 179.293 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 -61.67 -40.25 94.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.266 -0.879 . . . . 10.0 110.912 179.664 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -65.19 -36.6 84.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.427 -0.351 . . . . 10.0 110.99 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 163' ' ' ILE . . . . . 0.425 HG22 ' HE3' ' C' ' 167' ' ' LYS . 72.3 mt -64.57 -39.69 86.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.055 -0.72 . . . . 10.0 109.055 178.675 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 164' ' ' ARG . . . . . 0.467 ' NH1' ' HB2' ' C' ' 47' ' ' ASP . 69.7 mtt180 -65.41 -41.52 93.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.552 -0.749 . . . . 10.0 109.805 178.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 46.7 mtpt -63.59 -37.8 88.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.639 -0.71 . . . . 10.0 110.514 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 -61.82 -45.99 91.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.098 0.475 . . . . 10.0 110.547 179.598 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 167' ' ' LYS . . . . . 0.425 ' HE3' HG22 ' C' ' 163' ' ' ILE . 94.0 mttt -63.14 -39.39 94.53 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.217 0.532 . . . . 10.0 110.392 179.369 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 26.9 tp10 -67.1 -44.43 80.01 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.625 -0.716 . . . . 10.0 109.976 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 169' ' ' LYS . . . . . 0.757 ' HA ' ' HE3' ' C' ' 172' ' ' LYS . 9.8 mtpm? -63.86 -41.07 97.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.833 -0.621 . . . . 10.0 111.255 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 12.2 mmt -66.54 -32.64 74.12 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.249 -0.432 . . . . 10.0 111.483 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 61.9 m -66.65 -26.03 66.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.007 0.432 . . . . 10.0 111.508 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 172' ' ' LYS . . . . . 0.757 ' HE3' ' HA ' ' C' ' 169' ' ' LYS . 19.7 pttp -104.19 6.15 35.4 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.948 179.455 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 173' ' ' ASP . . . . . . . . . . . . . 20.5 t70 70.61 -55.76 0.62 Allowed 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 115.643 -0.708 . . . . 10.0 111.944 -179.51 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . -163.46 -121.2 0.55 Allowed Glycine 0 N--CA 1.439 -1.104 0 N-CA-C 111.163 -0.775 . . . . 10.0 111.163 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 175' ' ' LYS . . . . . . . . . . . . . 15.5 mttt -114.84 92.38 3.92 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.964 0.411 . . . . 10.0 110.457 179.606 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 176' ' ' LYS . . . . . . . . . . . . . 29.5 tttm -159.09 46.54 0.29 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.548 -0.751 . . . . 10.0 110.359 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 177' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -139.81 85.24 2.02 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.012 -0.54 . . . . 10.0 111.17 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 178' ' ' LYS . . . . . 0.524 ' HG3' ' OE1' ' B' ' 107' ' ' GLU . 25.6 ttpt -100.56 89.09 3.8 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 121.394 0.616 . . . . 10.0 109.704 179.105 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 179' ' ' LYS . . . . . . . . . . . . . 55.4 tttm -151.13 149.72 29.82 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.483 -0.781 . . . . 10.0 110.422 -179.661 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 180' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -96.29 146.9 24.33 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 116.191 -0.458 . . . . 10.0 110.744 179.534 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -102.54 -70.53 0.75 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.6 -0.727 . . . . 10.0 109.591 179.1 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 182' ' ' LYS . . . . . . . . . . . . . 32.6 pttt -121.19 151.43 39.96 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.867 -0.606 . . . . 10.0 109.418 179.15 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 3.1 m -86.73 -37.94 17.42 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.96 0.409 . . . . 10.0 111.053 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 184' ' ' LYS . . . . . 0.547 ' HG2' ' OE2' ' B' ' 91' ' ' GLU . 46.4 tttm . . . . . 0 C--N 1.326 -0.451 0 CA-C-O 121.165 0.507 . . . . 10.0 111.649 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 401' ' ' PCW . . . . . 1.063 H252 H281 ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 402' ' ' PCW . . . . . 0.824 ' C31' H352 ' A' ' 402' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 403' ' ' PCW . . . . . 1.007 ' O4P' ' H31' ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 404' ' ' PCW . . . . . 1.027 H352 ' C6 ' ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 405' ' ' PCW . . . . . 0.844 ' H73' ' O11' ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 406' ' ' PCW . . . . . 1.054 H122 ' H6A' ' B' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 407' ' ' PCW . . . . . 1.051 H212 ' C17' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 408' ' ' PCW . . . . . 1.012 H152 H211 ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 409' ' ' PCW . . . . . 1.162 ' C19' H142 ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 410' ' ' PCW . . . . . 0.992 ' H39' H371 ' A' ' 412' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 411' ' ' PCW . . . . . 1.012 H211 H152 ' A' ' 408' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 412' ' ' PCW . . . . . 0.992 H371 ' H39' ' A' ' 410' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 413' ' ' PCW . . . . . 1.017 H341 H132 ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 414' ' ' PCW . . . . . 1.062 H162 ' H20' ' A' ' 415' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 415' ' ' 17F . . . . . 1.062 ' H20' H162 ' A' ' 414' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 416' ' ' 17F . . . . . 0.863 ' H57' H211 ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 417' ' ' PCW . . . . . 0.986 H362 H371 ' A' ' 421' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 418' ' ' PCW . . . . . 1.006 H422 H231 ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 419' ' ' PCW . . . . . 1.055 ' C40' H441 ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 420' ' ' PCW . . . . . 1.01 ' C36' H412 ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 421' ' ' PCW . . . . . 1.024 H141 ' H11' ' D' ' 630' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 422' ' ' 17F . . . . . 1.053 ' H62' H421 ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 601' ' ' PCW . . . . . 1.066 H421 H461 ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 602' ' ' PCW . . . . . 0.978 H351 ' H73' ' C' ' 214' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 603' ' ' PCW . . . . . 1.073 H412 H371 ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 604' ' ' PCW . . . . . 1.107 H251 ' H76' ' C' ' 215' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 605' ' ' PCW . . . . . 0.967 ' O31' ' H52' ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 606' ' ' PCW . . . . . 1.051 H172 H212 ' D' ' 606' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 607' ' ' PCW . . . . . 0.846 ' C1 ' H372 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 608' ' ' PCW . . . . . 1.073 H452 ' H60' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 609' ' ' PCW . . . . . 1.089 ' H2 ' ' H61' ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 610' ' ' PCW . . . . . 1.013 ' H63' ' H6A' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 611' ' ' PCW . . . . . 0.998 H211 H432 ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 612' ' ' PCW . . . . . 1.028 H222 H482 ' D' ' 620' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 613' ' ' PCW . . . . . 1.031 H212 H172 ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 614' ' ' PCW . . . . . 1.046 H482 H211 ' D' ' 620' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 615' ' ' PCW . . . . . 1.063 H281 H252 ' A' ' 401' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 616' ' ' PCW . . . . . 1.089 ' H61' ' H2 ' ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 617' ' ' PCW . . . . . 1.051 H451 H452 ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 618' ' ' PCW . . . . . 1.01 H412 ' C36' ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 619' ' ' PCW . . . . . 1.09 H451 ' H55' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 620' ' ' PCW . . . . . 1.046 H211 H482 ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 621' ' ' PCW . . . . . 1.065 ' O1P' ' H52' ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 622' ' ' PCW . . . . . 1.095 H181 H142 ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 623' ' ' PCW . . . . . 1.07 H322 ' C36' ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 624' ' ' PCW . . . . . 1.028 H242 H242 ' C' ' 217' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 625' ' ' PCW . . . . . 1.055 H441 ' C40' ' A' ' 419' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 626' ' ' PCW . . . . . 1.084 H282 H461 ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 627' ' ' PCW . . . . . 1.039 H151 H131 ' D' ' 619' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 628' ' ' 17F . . . . . 1.073 ' H60' H452 ' D' ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 629' ' ' 17F . . . . . 1.022 ' H46' ' C20' ' D' ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 630' ' ' 17F . . . . . 1.024 ' H11' H141 ' A' ' 421' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 631' ' ' 17F . . . . . 1.09 ' H55' H451 ' D' ' 619' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 632' ' ' 17F . . . . . 0.993 ' O9 ' H141 ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 201' ' ' GSP . . . . . 0.881 ' O2A' " H3'" ' B' ' 201' ' ' GSP . . . . . . . . 0 O4'--C1' 1.438 1.974 2 O4'-C1'-N19 112.647 4.447 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 202' ' ' ' MG' . . . . . 0.624 'MG ' ' O3G' ' B' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 203' ' ' PCW . . . . . 1.056 H242 ' H19' ' B' ' 209' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 204' ' ' PCW . . . . . 1.045 H483 ' H56' ' B' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 205' ' ' PCW . . . . . 1.091 ' O11' ' H51' ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 206' ' ' PCW . . . . . 1.033 H241 H122 ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 207' ' ' PCW . . . . . 1.067 ' C4 ' ' H31' ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 208' ' ' PCW . . . . . 1.039 H161 H283 ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 209' ' ' 17F . . . . . 1.056 ' H19' H242 ' B' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 210' ' ' 17F . . . . . 1.045 ' H56' H483 ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 211' ' ' 17F . . . . . 1.054 ' H6A' H122 ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 201' ' ' GSP . . . . . 1.0 H5'1 ' HA2' ' C' ' 13' ' ' GLY . . . . . . . . 0 O4'--C1' 1.438 1.959 2 O4'-C1'-N19 112.941 4.741 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 202' ' ' ' MG' . . . . . 0.639 'MG ' ' O3G' ' C' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 203' ' ' PCW . . . . . 1.061 H452 H232 ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 204' ' ' PCW . . . . . 1.091 ' H51' ' O11' ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 205' ' ' PCW . . . . . 1.022 H481 ' H48' ' B' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 206' ' ' PCW . . . . . 1.105 H171 H362 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 207' ' ' PCW . . . . . 1.039 H412 ' H12' ' C' ' 213' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 208' ' ' PCW . . . . . 1.105 H362 H171 ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 209' ' ' PCW . . . . . 1.064 H262 H222 ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 210' ' ' PCW . . . . . 1.084 ' O31' H352 ' C' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 211' ' ' PCW . . . . . 1.121 H221 H181 ' C' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 212' ' ' PCW . . . . . 1.059 H262 H451 ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 213' ' ' 17F . . . . . 1.039 ' H12' H412 ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 214' ' ' 17F . . . . . 0.978 ' H73' H351 ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 215' ' ' 17F . . . . . 1.107 ' H76' H251 ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 216' ' ' PCW . . . . . 0.952 H281 ' C40' ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 217' ' ' PCW . . . . . 1.028 H242 H242 ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 218' ' ' 17F . . . . . 1.042 H18A ' O7 ' ' C' ' 218' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 219' ' ' 17F . . . . . 1.025 ' H32' H141 ' C' ' 217' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 201' ' ' LEU . . . . . 0.415 ' HA ' HD13 ' A' ' 204' ' ' LEU . 95.2 mt . . . . . 0 N--CA 1.458 -0.038 0 CA-C-O 120.656 0.265 . . . . 10.0 110.847 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 5.5 tmtm? -61.22 -49.51 76.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.056 -0.52 . . . . 10.0 111.297 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 74.1 mt -68.36 -19.86 64.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.032 -0.531 . . . . 10.0 111.475 -179.328 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 204' ' ' LEU . . . . . 0.415 HD13 ' HA ' ' A' ' 201' ' ' LEU . 6.3 mp -86.83 -43.19 12.66 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.169 0.509 . . . . 10.0 109.94 179.675 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -61.22 -43.96 98.04 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.508 -0.769 . . . . 10.0 110.473 179.544 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -74.23 -22.41 59.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.848 -0.614 . . . . 10.0 111.985 -179.633 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 79.6 t90 -69.58 -38.2 77.25 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.375 -0.602 . . . . 10.0 109.375 179.207 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -60.62 -30.99 70.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.537 -0.756 . . . . 10.0 110.688 179.557 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 1.1 m -67.43 -24.0 65.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.214 179.127 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 24.3 t -82.06 -43.85 19.64 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 CA-C-N 116.007 -0.542 . . . . 10.0 109.704 179.259 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -61.6 -40.28 94.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.966 179.618 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 1.6 p -64.8 -39.83 94.23 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.667 -0.494 . . . . 10.0 109.667 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 213' ' ' THR . . . . . 0.43 ' O ' ' HG ' ' A' ' 217' ' ' LEU . 99.5 m -65.92 -45.38 82.13 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.615 -0.72 . . . . 10.0 109.62 178.532 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -59.31 -38.69 80.88 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.485 179.065 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 215' ' ' SER . . . . . 0.513 ' O ' ' HG3' ' A' ' 219' ' ' GLU . 57.7 m -61.94 -52.16 65.18 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.349 179.109 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 35.2 mmtt -60.06 -40.04 88.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.201 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 217' ' ' LEU . . . . . 0.569 HD11 H251 ' A' ' 405' ' ' PCW . 94.3 mt -63.49 -50.12 70.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.779 -0.646 . . . . 10.0 110.684 179.211 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 37.8 mtt180 -60.39 -35.61 76.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 10.0 111.484 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 219' ' ' GLU . . . . . 0.513 ' HG3' ' O ' ' A' ' 215' ' ' SER . 57.9 mt-10 -67.17 -46.85 72.74 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.115 178.799 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -67.35 -34.46 77.37 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.479 179.519 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 221' ' ' LEU . . . . . 0.424 ' HA ' ' HB ' ' A' ' 224' ' ' VAL . 28.0 mt -58.29 -27.67 64.28 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.832 -0.622 . . . . 10.0 111.973 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -59.0 -71.6 0.74 Allowed Glycine 0 N--CA 1.449 -0.449 0 N-CA-C 110.261 -1.136 . . . . 10.0 110.261 178.525 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -55.35 -32.34 81.03 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.429 2.086 . . . . 10.0 111.469 178.038 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 224' ' ' VAL . . . . . 0.438 ' O ' ' HB2' ' A' ' 228' ' ' PHE . 14.1 t -61.65 -53.02 53.95 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.207 0 N-CA-C 109.841 -0.429 . . . . 10.0 109.841 178.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 22.7 m -64.47 -36.36 83.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.39 -0.368 . . . . 10.0 110.352 179.537 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -62.58 -50.59 70.7 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.215 -0.448 . . . . 10.0 111.243 179.657 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -71.53 -33.4 69.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.964 0.412 . . . . 10.0 110.287 179.567 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 228' ' ' PHE . . . . . 0.438 ' HB2' ' O ' ' A' ' 224' ' ' VAL . 0.4 OUTLIER -62.76 -47.86 81.71 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.45 -0.574 . . . . 10.0 109.45 178.532 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -64.41 -37.14 86.47 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.879 -0.601 . . . . 10.0 109.839 178.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -60.72 -50.99 71.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.8 -0.636 . . . . 10.0 110.503 179.143 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 231' ' ' ASN . . . . . 0.743 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 86.8 m-20 -66.42 -35.1 79.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.189 -0.46 . . . . 10.0 110.398 179.266 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 32.5 mt -64.34 -38.12 89.92 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.145 -0.687 . . . . 10.0 109.145 178.197 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 233' ' ' GLU . . . . . 0.56 ' HA ' ' OG1' ' A' ' 236' ' ' THR . 5.8 mm-40 -66.74 -33.66 76.12 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 116.136 -0.484 . . . . 10.0 111.213 179.183 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 234' ' ' LYS . . . . . 0.743 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 59.4 mttt -67.92 -33.73 75.25 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.533 -0.914 . . . . 10.0 108.533 178.312 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 235' ' ' GLU . . . . . 0.454 ' O ' ' HG ' ' A' ' 239' ' ' LEU . 0.6 OUTLIER -74.2 -49.72 22.29 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.113 -0.949 . . . . 10.0 109.85 179.051 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 236' ' ' THR . . . . . 0.56 ' OG1' ' HA ' ' A' ' 233' ' ' GLU . 8.0 p -62.19 -38.44 89.12 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.26 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -62.79 -41.21 99.16 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 108.611 -0.885 . . . . 10.0 108.611 178.425 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -63.63 -43.83 97.36 Favored Glycine 0 N--CA 1.445 -0.738 0 N-CA-C 109.53 -1.428 . . . . 10.0 109.53 177.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 239' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 235' ' ' GLU . 84.6 mt -64.46 -29.82 70.86 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.891 0.377 . . . . 10.0 110.332 178.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 55.4 mtt180 -73.62 -41.15 63.19 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.576 -0.528 . . . . 10.0 109.576 178.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -68.96 -36.78 78.29 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.539 -0.911 . . . . 10.0 108.539 178.188 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -69.55 -27.36 65.08 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.051 -0.977 . . . . 10.0 110.092 178.41 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 243' ' ' MET . . . . . 0.73 ' HG3' HD12 ' A' ' 247' ' ' LEU . 56.7 ttm -63.04 -31.59 72.76 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.286 -0.635 . . . . 10.0 109.286 179.168 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 2.0 m -81.42 10.48 5.66 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 115.537 -0.756 . . . . 10.0 110.517 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 37.2 mmtm -130.3 -61.58 0.97 Allowed 'General case' 0 C--O 1.224 -0.273 0 CA-C-N 115.546 -0.752 . . . . 10.0 109.127 178.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 246' ' ' ASP . . . . . 0.614 ' O ' ' HB ' ' A' ' 250' ' ' VAL . 0.4 OUTLIER -55.17 -64.07 0.96 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.7 -0.682 . . . . 10.0 111.124 179.824 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 247' ' ' LEU . . . . . 0.73 HD12 ' HG3' ' A' ' 243' ' ' MET . 69.8 mt -72.67 -36.15 67.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.802 -0.635 . . . . 10.0 112.3 -178.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -63.06 -52.74 61.57 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 120.964 -0.294 . . . . 10.0 111.091 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -70.72 -34.36 71.82 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 121.109 -0.236 . . . . 10.0 110.86 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 250' ' ' VAL . . . . . 0.748 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 0.3 OUTLIER -63.18 -34.63 67.97 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.295 0 C-N-CA 120.871 -0.332 . . . . 10.0 110.771 179.679 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 251' ' ' LYS . . . . . 0.454 ' O ' HG12 ' A' ' 254' ' ' VAL . 93.0 mttt -83.41 -28.06 29.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.559 -0.291 . . . . 10.0 110.908 179.235 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -77.46 -37.99 50.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.022 0.439 . . . . 10.0 110.437 179.204 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -88.03 -17.4 31.24 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.793 -0.64 . . . . 10.0 111.653 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 254' ' ' VAL . . . . . 0.748 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 1.4 p -63.65 -24.28 35.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.898 0.38 . . . . 10.0 109.986 179.042 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 255' ' ' GLN . . . . . 0.516 ' HB2' ' CD ' ' A' ' 256' ' ' PRO . 28.1 mt-30 -62.83 -64.21 3.29 Favored Pre-proline 0 N--CA 1.45 -0.456 0 CA-C-N 115.723 -0.671 . . . . 10.0 110.709 179.517 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 256' ' ' PRO . . . . . 0.516 ' CD ' ' HB2' ' A' ' 255' ' ' GLN . 31.1 Cg_endo -65.55 -28.05 53.48 Favored 'Trans proline' 0 C--N 1.358 1.059 0 C-N-CA 121.894 1.729 . . . . 10.0 111.642 178.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -65.09 -54.29 32.27 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 109.4 -0.593 . . . . 10.0 109.4 179.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 65.0 mt -69.04 -36.57 77.86 Favored 'General case' 0 C--O 1.218 -0.556 0 CA-C-N 115.856 -0.611 . . . . 10.0 110.157 179.391 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 259' ' ' ASP . . . . . 0.412 ' O ' ' HB2' ' A' ' 263' ' ' LYS . 4.7 t70 -56.03 -43.65 77.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.927 0.394 . . . . 10.0 111.316 179.604 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -68.39 -50.57 52.03 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.119 -0.491 . . . . 10.0 111.048 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -67.02 -40.47 87.27 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.675 0.62 . . . . 10.0 112.675 -179.236 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -63.95 -41.69 97.53 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.861 -0.422 . . . . 10.0 109.861 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 263' ' ' LYS . . . . . 0.497 ' O ' ' HG3' ' A' ' 267' ' ' GLU . 2.2 ttmp? -64.31 -50.05 69.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.646 -0.706 . . . . 10.0 109.438 178.578 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 264' ' ' LYS . . . . . 0.707 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 60.0 mttt -61.07 -43.63 98.59 Favored 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 115.593 -0.731 . . . . 10.0 110.961 179.51 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 6.8 m95 -59.38 -40.94 88.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.888 0.375 . . . . 10.0 110.204 178.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 266' ' ' GLN . . . . . 0.412 ' O ' ' HG3' ' A' ' 270' ' ' GLU . 51.4 mt-30 -65.5 -44.08 88.14 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 109.406 -0.59 . . . . 10.0 109.406 178.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 267' ' ' GLU . . . . . 0.497 ' HG3' ' O ' ' A' ' 263' ' ' LYS . 38.7 mt-10 -63.59 -40.56 97.24 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.612 -0.514 . . . . 10.0 109.612 178.704 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 268' ' ' GLU . . . . . 0.545 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 20.4 mt-10 -61.5 -44.62 96.74 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.007 -0.542 . . . . 10.0 109.71 178.489 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 87.8 mmm -68.06 -37.9 81.83 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.523 -0.762 . . . . 10.0 110.628 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 270' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 266' ' ' GLN . 78.0 mt-10 -61.19 -45.77 93.22 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 109.567 -0.531 . . . . 10.0 109.567 178.435 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 96.6 mt -66.67 -38.84 87.64 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.617 -0.72 . . . . 10.0 110.029 179.381 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 272' ' ' TYR . . . . . 0.495 ' HD1' ' HA ' ' A' ' 272' ' ' TYR . 0.2 OUTLIER -66.7 -39.87 88.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.972 0.415 . . . . 10.0 110.905 179.16 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 273' ' ' ARG . . . . . 0.433 ' O ' HG12 ' A' ' 276' ' ' VAL . 46.9 mtt180 -73.3 -24.27 60.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 10.0 110.656 179.156 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -80.19 -44.31 20.03 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.245 -0.65 . . . . 10.0 109.245 178.123 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 275' ' ' LYS . . . . . 0.748 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 10.0 mptt -65.83 -37.08 85.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.553 -0.748 . . . . 10.0 110.943 179.415 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 276' ' ' VAL . . . . . 0.433 HG12 ' O ' ' A' ' 273' ' ' ARG . 1.2 p -59.48 -24.29 27.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 112.359 0.503 . . . . 10.0 112.359 -179.455 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 277' ' ' GLU . . . . . 0.522 ' HB2' ' HD3' ' A' ' 278' ' ' PRO . 7.1 mm-40 -62.22 -64.95 2.47 Favored Pre-proline 0 CA--C 1.536 0.407 0 C-N-CA 121.078 -0.249 . . . . 10.0 110.915 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 278' ' ' PRO . . . . . 0.522 ' HD3' ' HB2' ' A' ' 277' ' ' GLU . 31.9 Cg_endo -65.91 -33.27 43.18 Favored 'Trans proline' 0 C--N 1.355 0.89 0 C-N-CA 121.572 1.514 . . . . 10.0 111.085 178.563 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 279' ' ' LEU . . . . . 0.748 ' HG ' ' O ' ' A' ' 275' ' ' LYS . 10.7 mt -62.93 -44.43 96.1 Favored 'General case' 0 CA--C 1.523 -0.085 0 CA-C-N 116.556 -0.293 . . . . 10.0 110.896 179.797 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 -67.3 -37.45 83.38 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 109.544 -0.539 . . . . 10.0 109.544 179.086 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -61.98 -49.32 76.57 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.436 -0.579 . . . . 10.0 109.436 178.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -62.92 -45.35 92.92 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 116.15 -0.477 . . . . 10.0 110.23 178.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 10.3 mt -61.56 -32.81 72.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.544 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -73.61 -53.25 10.92 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.313 179.029 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -59.7 -46.51 88.85 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.133 0.492 . . . . 10.0 110.096 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -62.05 -43.48 99.09 Favored Glycine 0 N--CA 1.444 -0.773 0 CA-C-N 115.418 -0.81 . . . . 10.0 111.642 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -64.17 -42.2 96.81 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 110.109 -0.33 . . . . 10.0 110.109 178.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 81.7 mtt180 -57.43 -49.44 76.23 Favored 'General case' 0 C--N 1.333 -0.129 0 N-CA-C 109.853 -0.425 . . . . 10.0 109.853 179.004 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -61.58 -49.25 77.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.651 -0.704 . . . . 10.0 110.676 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 55.6 mttp -64.56 -34.03 77.29 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.181 -0.463 . . . . 10.0 111.241 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 20.7 mt -71.9 -40.19 69.04 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 109.263 -0.644 . . . . 10.0 109.263 178.255 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -36.4 83.83 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.291 -0.633 . . . . 10.0 109.291 178.375 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.41 -38.94 85.59 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.738 -0.838 . . . . 10.0 108.738 178.014 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 294' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 294' ' ' LEU . 7.9 mt -72.59 -45.55 58.58 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-N 115.681 -0.691 . . . . 10.0 110.557 179.097 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -61.07 -35.98 78.41 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.133 0.42 . . . . 10.0 112.133 -179.416 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -73.22 -1.21 16.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.948 0.404 . . . . 10.0 110.89 179.093 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 297' ' ' LYS . . . . . 0.471 ' O ' ' HB2' ' A' ' 301' ' ' LEU . 22.9 mmtp -121.79 -41.94 2.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.974 179.37 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 37.8 mt -61.06 -24.33 66.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.436 -0.347 . . . . 10.0 111.785 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 299' ' ' SER . . . . . 0.494 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 4.2 m -83.48 -63.78 0.25 Allowed Pre-proline 0 CA--C 1.538 0.509 0 N-CA-C 112.078 0.399 . . . . 10.0 112.078 179.679 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 300' ' ' PRO . . . . . 0.494 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 32.4 Cg_endo -64.41 -46.87 6.68 Favored 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 121.732 1.621 . . . . 10.0 112.139 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 301' ' ' LEU . . . . . 0.499 HD13 ' HG2' ' D' ' 473' ' ' LYS . 90.8 mt -71.96 -29.07 63.87 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 110.024 -0.361 . . . . 10.0 110.024 179.469 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -68.08 -47.24 60.63 Favored Glycine 0 N--CA 1.449 -0.458 0 N-CA-C 110.696 -0.962 . . . . 10.0 110.696 179.069 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -63.38 -41.98 98.82 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.98 -0.378 . . . . 10.0 109.98 178.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.02 -37.17 85.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.073 -0.512 . . . . 10.0 109.656 179.081 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 305' ' ' MET . . . . . 0.442 ' HB2' ' O ' ' A' ' 301' ' ' LEU . 11.7 tpt -62.02 -35.75 79.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.878 -0.601 . . . . 10.0 109.521 179.132 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 306' ' ' ARG . . . . . 0.477 ' O ' ' HG3' ' A' ' 310' ' ' ARG . 48.4 mtt180 -78.22 -37.26 45.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.888 -0.597 . . . . 10.0 109.941 178.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 307' ' ' ASP . . . . . 0.552 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 36.2 t70 -63.61 -45.75 88.9 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.599 -0.519 . . . . 10.0 109.599 178.599 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 308' ' ' ARG . . . . . 0.512 ' HG3' HD11 ' D' ' 469' ' ' LEU . 19.0 mmt180 -66.87 -32.58 73.94 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 108.985 -0.746 . . . . 10.0 108.985 178.166 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 309' ' ' ALA . . . . . 0.42 ' O ' HG23 ' A' ' 313' ' ' VAL . . . -64.82 -36.6 84.87 Favored 'General case' 0 CA--C 1.522 -0.126 0 N-CA-C 109.068 -0.715 . . . . 10.0 109.068 177.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 310' ' ' ARG . . . . . 0.552 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 81.5 mtt180 -59.92 -47.81 84.25 Favored 'General case' 0 C--O 1.22 -0.461 0 N-CA-C 108.878 -0.786 . . . . 10.0 108.878 178.444 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -66.92 -34.0 76.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.758 -0.655 . . . . 10.0 110.098 179.024 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -61.52 -50.75 71.45 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.422 -0.584 . . . . 10.0 109.422 178.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 313' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 309' ' ' ALA . 43.8 t -73.11 -30.21 30.88 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 CA-C-N 115.518 -0.765 . . . . 10.0 110.145 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 314' ' ' ASP . . . . . 0.409 ' HA ' ' NH2' ' A' ' 317' ' ' ARG . 11.9 t70 -61.51 -47.94 83.32 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.824 -0.436 . . . . 10.0 109.824 179.018 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -64.86 -38.57 91.43 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.132 -0.692 . . . . 10.0 109.132 178.318 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 28.7 mt -63.12 -51.87 64.82 Favored 'General case' 0 C--O 1.219 -0.507 0 CA-C-N 115.604 -0.725 . . . . 10.0 110.618 178.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 317' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 317' ' ' ARG . 42.1 mtm105 -59.04 -41.95 89.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.959 0.409 . . . . 10.0 110.971 179.463 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 56.0 m -64.88 -20.43 66.43 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.771 -0.65 . . . . 10.0 110.96 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 319' ' ' HIS . . . . . 0.443 ' CE1' ' HB2' ' D' ' 458' ' ' ASP . 11.7 m80 -100.3 -33.85 10.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.34 -0.391 . . . . 10.0 111.279 179.143 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 72.4 mt -66.71 -39.8 88.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.551 -0.295 . . . . 10.0 111.234 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -54.85 -56.78 23.88 Favored Pre-proline 0 CA--C 1.535 0.373 0 O-C-N 123.239 0.337 . . . . 10.0 111.793 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -66.41 -37.75 22.32 Favored 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 121.514 1.476 . . . . 10.0 111.862 178.002 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 10.3 m-30 -58.6 -52.5 65.41 Favored 'General case' 0 C--O 1.226 -0.168 0 CA-C-N 116.559 -0.292 . . . . 10.0 111.116 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 324' ' ' SER . . . . . 0.411 ' HA ' ' HB2' ' A' ' 327' ' ' LEU . 11.6 p -65.34 -40.37 93.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.515 -0.311 . . . . 10.0 110.932 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -61.25 -42.0 97.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.063 0.459 . . . . 10.0 110.579 179.556 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -77.45 -25.39 50.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.969 -0.56 . . . . 10.0 110.177 178.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 327' ' ' LEU . . . . . 0.63 HD23 ' HD2' ' A' ' 330' ' ' ARG . 9.4 mt -69.69 -34.16 73.55 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 109.569 -0.53 . . . . 10.0 109.569 178.326 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 69.7 mtt180 -61.05 -40.77 94.89 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 108.863 -0.791 . . . . 10.0 108.863 178.559 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -63.63 -40.43 96.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.456 -0.793 . . . . 10.0 109.11 178.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 330' ' ' ARG . . . . . 0.804 HH22 HG23 ' D' ' 448' ' ' VAL . 44.0 mtt180 -62.01 -51.73 66.82 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 109.04 -0.726 . . . . 10.0 109.04 178.33 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 331' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 327' ' ' LEU . 94.8 mt -56.15 -46.16 79.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.552 -0.749 . . . . 10.0 110.213 179.638 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -59.51 -48.83 80.14 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.375 179.444 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -60.2 -47.93 83.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.505 . . . . 10.0 110.629 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -60.86 -46.78 89.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.636 -0.711 . . . . 10.0 110.099 179.396 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 335' ' ' LEU . . . . . 0.589 ' O ' ' HB2' ' A' ' 339' ' ' LYS . 52.1 mt -61.21 -46.03 92.12 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 115.982 -0.554 . . . . 10.0 111.501 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -65.19 -45.59 84.2 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 123.237 0.336 . . . . 10.0 111.097 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -64.78 -51.02 64.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.489 -0.323 . . . . 10.0 110.569 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 90.8 mt -68.62 -15.36 63.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 10.0 112.055 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 339' ' ' LYS . . . . . 0.589 ' HB2' ' O ' ' A' ' 335' ' ' LEU . 70.4 tttt -85.47 -47.91 9.48 Favored 'General case' 0 CA--C 1.519 -0.224 0 N-CA-C 109.224 -0.658 . . . . 10.0 109.224 178.593 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -63.34 -49.74 72.71 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 109.199 -0.667 . . . . 10.0 109.199 178.353 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 341' ' ' ASN . . . . . 0.517 ' O ' ' HG3' ' A' ' 345' ' ' ARG . 14.6 t-20 -66.51 -37.07 84.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.596 -0.729 . . . . 10.0 109.281 178.144 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -61.68 -41.82 99.66 Favored Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 115.614 -0.721 . . . . 10.0 111.339 178.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -66.42 -39.86 94.27 Favored Glycine 0 N--CA 1.448 -0.512 0 N-CA-C 110.462 -1.055 . . . . 10.0 110.462 178.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -61.79 -43.25 99.23 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.942 -0.762 . . . . 10.0 108.942 178.207 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 345' ' ' ARG . . . . . 0.517 ' HG3' ' O ' ' A' ' 341' ' ' ASN . 32.5 mtm180 -64.9 -41.44 95.59 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 115.582 -0.736 . . . . 10.0 110.007 178.699 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 57.7 mt -61.3 -46.29 90.92 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.542 -0.299 . . . . 10.0 110.631 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -63.88 -40.66 97.05 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.07 179.175 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -67.61 -43.62 80.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.082 0.467 . . . . 10.0 110.492 178.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -62.5 -38.31 89.41 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.097 -0.501 . . . . 10.0 110.545 179.221 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -66.15 -39.66 89.98 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 120.96 0.409 . . . . 10.0 110.073 179.041 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -63.89 -47.83 79.08 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 109.023 -0.732 . . . . 10.0 109.023 178.562 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 15.7 mttm -61.77 -38.3 87.52 Favored 'General case' 0 N--CA 1.461 0.088 0 CA-C-N 115.582 -0.735 . . . . 10.0 110.012 178.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -62.64 -45.73 91.51 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.886 -0.413 . . . . 10.0 109.886 179.117 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 27.1 m -61.31 -39.29 89.92 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 109.411 -0.589 . . . . 10.0 109.411 178.648 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -66.19 -48.22 71.4 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 109.752 -0.462 . . . . 10.0 109.752 178.443 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -59.55 -37.12 77.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.827 178.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 55.8 mt -68.12 -36.15 79.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.967 0.413 . . . . 10.0 110.047 178.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 50.9 m -64.89 -44.64 88.94 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.01 179.033 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 359' ' ' THR . . . . . 0.651 HG22 ' HD2' ' D' ' 414' ' ' LYS . 0.0 OUTLIER -72.43 -26.75 61.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.174 0.511 . . . . 10.0 109.921 178.592 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 51.5 tp -69.7 -31.76 69.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.65 -0.704 . . . . 10.0 109.112 178.42 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 24.0 m -62.97 -32.77 74.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.648 -0.706 . . . . 10.0 109.42 178.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -68.55 -20.06 64.53 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.59 -0.732 . . . . 10.0 110.095 179.014 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 363' ' ' LYS . . . . . 0.778 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 85.7 mttt -93.74 -47.28 6.85 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.862 -0.608 . . . . 10.0 109.464 178.736 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -62.78 -32.04 73.13 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 113.267 0.84 . . . . 10.0 113.267 -178.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 365' ' ' LYS . . . . . 0.878 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 61.0 mttt -107.92 -73.32 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.437 0 N-CA-C 113.886 1.069 . . . . 10.0 113.886 -179.535 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 366' ' ' PRO . . . . . 0.878 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 35.0 Cg_exo -58.87 -54.8 2.43 Favored 'Trans proline' 0 C--N 1.355 0.885 0 C-N-CA 122.155 1.904 . . . . 10.0 113.571 -179.537 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 367' ' ' ALA . . . . . 0.778 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -61.91 -44.03 97.62 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 111.606 0.224 . . . . 10.0 111.606 -179.206 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 368' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 368' ' ' LEU . 1.0 OUTLIER -66.68 -35.0 79.11 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 110.334 -0.247 . . . . 10.0 110.334 179.389 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -62.05 -49.15 77.13 Favored 'General case' 0 CA--C 1.512 -0.509 0 N-CA-C 108.382 -0.97 . . . . 10.0 108.382 178.709 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -60.17 -38.73 84.1 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.886 -1.052 . . . . 10.0 110.301 179.221 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 18.4 mt -64.66 -47.56 78.01 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.016 178.402 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 372' ' ' ARG . . . . . 0.621 ' O ' ' HG ' ' A' ' 376' ' ' LEU . 87.4 mtt180 -62.15 -47.04 86.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.165 179.345 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -58.44 -33.75 70.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.613 -0.721 . . . . 10.0 111.445 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -85.36 -33.24 17.57 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.738 -0.744 . . . . 10.0 111.977 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 27.2 mt -69.27 -32.3 71.39 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.848 0.314 . . . . 10.0 111.848 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 376' ' ' LEU . . . . . 0.621 ' HG ' ' O ' ' A' ' 372' ' ' ARG . 95.2 mt -52.48 -62.21 3.57 Favored Pre-proline 0 CA--C 1.534 0.36 0 N-CA-C 112.457 0.54 . . . . 10.0 112.457 -179.809 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -63.86 -30.67 68.08 Favored 'Trans proline' 0 C--N 1.355 0.913 0 C-N-CA 121.728 1.619 . . . . 10.0 111.212 179.167 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 10.5 t -63.31 -45.85 97.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 N-CA-C 109.558 -0.534 . . . . 10.0 109.558 179.088 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 379' ' ' LEU . . . . . 0.468 ' O ' ' HG3' ' A' ' 383' ' ' LYS . 96.6 mt -64.25 -34.69 78.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.093 -0.503 . . . . 10.0 109.812 179.013 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 380' ' ' GLU . . . . . 0.587 ' HG3' ' O ' ' A' ' 376' ' ' LEU . 35.2 mt-10 -63.63 -46.25 86.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.314 179.299 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 1.5 p -68.57 -31.06 69.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.971 0.415 . . . . 10.0 110.176 178.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -64.25 -44.21 92.51 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 108.851 -0.796 . . . . 10.0 108.851 178.309 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 383' ' ' LYS . . . . . 0.468 ' HG3' ' O ' ' A' ' 379' ' ' LEU . 91.1 mttt -55.88 -50.7 69.92 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 115.62 -0.718 . . . . 10.0 109.185 178.275 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 89.9 t -56.86 -44.64 82.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.616 -0.72 . . . . 10.0 110.572 179.38 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 16.3 m -66.67 -36.56 82.82 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.296 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 386' ' ' PHE . . . . . 0.557 ' CE2' ' H76' ' A' ' 415' ' ' 17F . 9.8 m-85 -71.63 -47.33 55.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.511 -0.313 . . . . 10.0 111.013 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 387' ' ' LEU . . . . . 0.466 ' O ' ' HG3' ' A' ' 391' ' ' GLU . 80.1 mt -60.33 -45.42 93.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.117 -0.492 . . . . 10.0 111.705 -179.377 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 388' ' ' SER . . . . . 0.675 ' HB2' ' HE2' ' D' ' 594' ' ' LYS . 9.7 p -65.8 -37.49 86.42 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.785 0.326 . . . . 10.0 110.781 179.676 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -64.39 -42.22 96.23 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.289 0.566 . . . . 10.0 109.496 179.168 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 90.6 mt -60.86 -40.08 91.57 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.484 -0.78 . . . . 10.0 109.444 178.474 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 391' ' ' GLU . . . . . 0.466 ' HG3' ' O ' ' A' ' 387' ' ' LEU . 50.6 mt-10 -61.45 -44.82 96.44 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.951 -0.568 . . . . 10.0 109.968 178.416 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -57.78 -45.87 85.39 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.257 -0.428 . . . . 10.0 110.786 179.403 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 393' ' ' TYR . . . . . 0.432 ' O ' ' HB2' ' A' ' 397' ' ' LEU . 20.8 m-85 -63.56 -36.65 84.48 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.165 0.507 . . . . 10.0 110.757 179.362 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 8.6 m -75.4 -23.29 57.04 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.092 0.473 . . . . 10.0 111.522 -179.588 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -91.19 -39.36 12.16 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 112.489 0.552 . . . . 10.0 112.489 -179.415 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 396' ' ' LYS . . . . . 0.809 ' HG2' ' HB2' ' D' ' 587' ' ' ALA . 13.8 mptt -91.69 -26.4 18.65 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 113.595 0.961 . . . . 10.0 113.595 -177.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 397' ' ' LEU . . . . . 0.432 ' HB2' ' O ' ' A' ' 393' ' ' TYR . 29.2 mt -108.76 11.05 26.59 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.874 -0.331 . . . . 10.0 111.664 -179.654 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 18.5 t30 . . . . . 0 C--N 1.321 -0.652 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.096 -179.924 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 CA--C 1.52 -0.181 0 CA-C-O 121.362 0.601 . . . . 10.0 110.453 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.63 30.8 1.46 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.417 -0.811 . . . . 10.0 110.841 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 85.0 mt -62.63 -47.87 81.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.975 -0.557 . . . . 10.0 109.664 179.415 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 33.8 mt -64.97 -35.17 80.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.883 -0.599 . . . . 10.0 110.388 178.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -64.33 -43.43 94.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.434 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -73.32 -40.12 64.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.06 179.098 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -36.44 78.39 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.424 179.577 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -59.39 -48.04 83.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.238 179.349 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.89 -42.39 99.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.594 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 98.8 t -62.78 -44.1 99.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.811 -0.632 . . . . 10.0 110.416 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 24.3 m -65.95 -36.39 83.21 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.433 179.054 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 36.1 m -64.05 -33.13 75.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.049 -0.523 . . . . 10.0 110.945 179.323 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -69.33 -31.81 70.5 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.839 -0.43 . . . . 10.0 109.839 178.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -67.79 -34.13 76.16 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 109.593 -0.521 . . . . 10.0 109.593 178.552 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 413' ' ' SER . . . . . 0.433 ' O ' ' HG3' ' D' ' 417' ' ' GLU . 9.7 m -63.48 -45.25 91.64 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 108.3 -1.0 . . . . 10.0 108.3 178.108 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 414' ' ' LYS . . . . . 0.651 ' HD2' HG22 ' A' ' 359' ' ' THR . 23.4 mmtt -65.35 -35.37 80.77 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 115.553 -0.749 . . . . 10.0 110.165 178.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 2.2 mt -64.71 -42.73 95.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.889 -0.596 . . . . 10.0 109.609 178.696 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 416' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' D' ' 416' ' ' ARG . 54.7 mtt180 -67.21 -38.22 84.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.811 -0.632 . . . . 10.0 109.972 179.031 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 417' ' ' GLU . . . . . 0.433 ' HG3' ' O ' ' D' ' 413' ' ' SER . 35.1 mt-10 -62.14 -37.47 85.3 Favored 'General case' 0 C--O 1.223 -0.31 0 N-CA-C 109.181 -0.674 . . . . 10.0 109.181 178.734 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -70.08 -53.1 18.94 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 109.213 -0.662 . . . . 10.0 109.213 178.061 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 74.2 mt -45.56 -44.49 12.84 Favored 'General case' 0 C--O 1.225 -0.209 0 CA-C-N 115.145 -0.934 . . . . 10.0 112.619 -179.115 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 420' ' ' GLY . . . . . 0.486 ' O ' ' HG3' ' D' ' 424' ' ' GLN . . . -48.19 -81.86 0.04 OUTLIER Glycine 0 CA--C 1.522 0.527 0 O-C-N 123.526 0.516 . . . . 10.0 113.822 -179.61 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 421' ' ' PRO . . . . . 0.576 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 39.1 Cg_exo -58.57 -41.48 64.1 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.746 2.297 . . . . 10.0 112.618 -179.734 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 38.0 t -54.74 -48.94 72.19 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.108 0 N-CA-C 112.309 0.485 . . . . 10.0 112.309 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 50.5 p -69.45 -33.91 73.63 Favored 'General case' 0 CA--C 1.519 -0.227 0 C-N-CA 120.776 -0.37 . . . . 10.0 111.172 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 424' ' ' GLN . . . . . 0.486 ' HG3' ' O ' ' D' ' 420' ' ' GLY . 61.6 mt-30 -63.73 -50.69 68.14 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 110.026 -0.361 . . . . 10.0 110.026 179.257 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 425' ' ' GLU . . . . . 0.576 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 11.1 pt-20 -72.05 -23.27 61.35 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.037 -0.356 . . . . 10.0 110.037 178.755 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 426' ' ' PHE . . . . . 0.478 ' O ' ' HG ' ' D' ' 430' ' ' LEU . 34.9 t80 -68.94 -43.84 74.24 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 108.222 -1.029 . . . . 10.0 108.222 177.655 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 427' ' ' TRP . . . . . 0.434 ' O ' ' HG3' ' D' ' 431' ' ' GLU . 5.6 m95 -66.67 -37.64 85.19 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.323 -0.991 . . . . 10.0 108.323 178.05 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 428' ' ' ASP . . . . . 0.421 ' O ' ' HG3' ' D' ' 432' ' ' LYS . 30.1 t70 -63.01 -36.74 84.58 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.339 -0.846 . . . . 10.0 108.976 177.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -72.89 -39.71 66.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.533 -0.758 . . . . 10.0 109.145 178.06 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 430' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' D' ' 426' ' ' PHE . 65.3 mt -56.77 -43.49 80.86 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 115.656 -0.702 . . . . 10.0 109.937 179.12 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 431' ' ' GLU . . . . . 0.434 ' HG3' ' O ' ' D' ' 427' ' ' TRP . 47.9 mt-10 -62.32 -39.27 92.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.942 179.366 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 432' ' ' LYS . . . . . 0.421 ' HG3' ' O ' ' D' ' 428' ' ' ASP . 48.7 mttp -63.76 -41.48 97.99 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.173 -0.677 . . . . 10.0 109.173 178.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -68.97 -50.26 50.65 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 114.998 -1.001 . . . . 10.0 111.314 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 2.7 p -59.5 -47.35 85.85 Favored 'General case' 0 CA--C 1.519 -0.244 0 C-N-CA 121.141 -0.224 . . . . 10.0 110.507 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 435' ' ' GLU . . . . . 0.642 ' O ' ' HG3' ' D' ' 439' ' ' GLN . 16.0 mm-40 -62.09 -47.4 84.8 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 121.045 -0.262 . . . . 10.0 110.401 178.75 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 436' ' ' GLY . . . . . 0.469 ' O ' ' HG3' ' D' ' 440' ' ' GLU . . . -57.3 -50.34 65.45 Favored Glycine 0 C--N 1.333 0.411 0 N-CA-C 111.105 -0.798 . . . . 10.0 111.105 179.065 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 96.3 mt -62.3 -37.86 87.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.582 0.229 . . . . 10.0 110.396 178.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 72.1 mtt180 -63.17 -37.51 87.49 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.373 -0.376 . . . . 10.0 110.672 179.26 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 439' ' ' GLN . . . . . 0.642 ' HG3' ' O ' ' D' ' 435' ' ' GLU . 89.4 mt-30 -63.59 -38.48 91.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.166 0.508 . . . . 10.0 109.638 178.717 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 440' ' ' GLU . . . . . 0.469 ' HG3' ' O ' ' D' ' 436' ' ' GLY . 35.0 mt-10 -74.71 -44.64 49.02 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.02 -0.536 . . . . 10.0 109.675 178.8 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 90.9 mmm -60.3 -38.15 82.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.299 -0.864 . . . . 10.0 112.908 -178.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 2.4 p -60.74 -51.31 69.91 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.93 0.395 . . . . 10.0 110.078 179.627 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 41.6 tttp -68.08 -39.77 82.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.159 179.243 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -59.61 -54.09 50.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 10.0 110.805 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 82.5 mt -63.85 -48.9 74.89 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.318 0.488 . . . . 10.0 112.318 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -61.11 -42.91 99.4 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-O 120.673 0.273 . . . . 10.0 110.749 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 447' ' ' GLU . . . . . 0.554 ' HB3' HH21 ' A' ' 330' ' ' ARG . 21.5 tt0 -68.39 -39.31 81.74 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.542 -0.54 . . . . 10.0 109.542 178.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 448' ' ' VAL . . . . . 0.804 HG23 HH22 ' A' ' 330' ' ' ARG . 2.1 t -60.57 -37.46 75.29 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.288 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.03 178.674 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 449' ' ' LYS . . . . . 0.447 ' O ' ' HG3' ' D' ' 453' ' ' GLN . 63.8 mttt -61.38 -32.65 72.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.181 0.515 . . . . 10.0 110.166 178.418 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -91.32 -4.07 56.2 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.498 179.405 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 451' ' ' LYS . . . . . 0.428 ' HG2' ' O ' ' D' ' 447' ' ' GLU . 35.3 mmtm -99.68 -39.56 8.21 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.895 0.378 . . . . 10.0 110.241 179.468 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 71.8 t -62.97 -35.75 72.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.151 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 453' ' ' GLN . . . . . 0.555 ' HB2' ' HD3' ' D' ' 454' ' ' PRO . 71.4 mt-30 -57.97 -62.48 5.4 Favored Pre-proline 0 CA--C 1.534 0.344 0 CA-C-N 116.658 -0.246 . . . . 10.0 111.6 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 454' ' ' PRO . . . . . 0.555 ' HD3' ' HB2' ' D' ' 453' ' ' GLN . 35.5 Cg_endo -65.74 -26.65 52.81 Favored 'Trans proline' 0 C--N 1.36 1.175 0 C-N-CA 121.609 1.539 . . . . 10.0 111.709 179.587 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -67.39 -50.38 59.87 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.595 -0.52 . . . . 10.0 109.595 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 456' ' ' LEU . . . . . 0.417 ' O ' ' HB2' ' D' ' 460' ' ' GLN . 32.2 mt -65.66 -35.52 81.02 Favored 'General case' 0 C--O 1.217 -0.608 0 CA-C-N 116.065 -0.516 . . . . 10.0 109.682 178.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -65.5 -51.7 58.11 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.101 -0.499 . . . . 10.0 110.27 179.22 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 458' ' ' ASP . . . . . 0.443 ' HB2' ' CE1' ' A' ' 319' ' ' HIS . 6.8 t70 -59.38 -43.86 92.83 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.368 -0.833 . . . . 10.0 110.848 179.652 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -72.34 -46.63 54.69 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.804 -0.634 . . . . 10.0 112.163 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 460' ' ' GLN . . . . . 0.417 ' HB2' ' O ' ' D' ' 456' ' ' LEU . 36.9 mt-30 -58.83 -39.43 81.22 Favored 'General case' 0 CA--C 1.515 -0.38 0 O-C-N 122.987 0.179 . . . . 10.0 110.881 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 461' ' ' LYS . . . . . 0.463 ' O ' ' HG3' ' D' ' 465' ' ' GLU . 21.6 mttt -62.95 -41.06 99.4 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.932 -0.395 . . . . 10.0 109.932 178.776 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 18.6 mtmm -68.21 -38.04 81.5 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.627 -0.509 . . . . 10.0 109.627 178.527 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 463' ' ' TRP . . . . . 0.604 ' CD1' ' H77' ' D' ' 629' ' ' 17F . 54.8 m0 -65.57 -43.9 88.38 Favored 'General case' 0 CA--C 1.516 -0.335 0 N-CA-C 109.101 -0.703 . . . . 10.0 109.101 178.465 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -59.19 -48.32 82.06 Favored 'General case' 0 CA--C 1.516 -0.361 0 N-CA-C 109.124 -0.695 . . . . 10.0 109.124 178.657 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 465' ' ' GLU . . . . . 0.507 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 46.6 mt-10 -54.84 -57.56 11.11 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 115.721 -0.672 . . . . 10.0 110.47 179.607 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -59.93 -38.25 81.82 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.057 -0.52 . . . . 10.0 111.872 -179.503 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 42.2 ttm -65.71 -47.37 75.58 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.031 0.443 . . . . 10.0 110.926 179.546 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 76.9 mt-10 -71.24 -27.73 63.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.409 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 469' ' ' LEU . . . . . 0.512 HD11 ' HG3' ' A' ' 308' ' ' ARG . 69.2 mt -74.2 -29.33 61.69 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 108.832 -0.803 . . . . 10.0 108.832 177.553 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 2.0 m-30 -64.49 -30.95 71.98 Favored 'General case' 0 N--CA 1.461 0.091 0 N-CA-C 109.292 -0.633 . . . . 10.0 109.292 178.438 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 471' ' ' ARG . . . . . 0.401 ' HA ' ' HG3' ' D' ' 475' ' ' GLU . 93.4 mtt180 -75.86 -11.74 60.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.796 -0.638 . . . . 10.0 110.053 179.245 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -117.71 9.52 13.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.189 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 473' ' ' LYS . . . . . 0.499 ' HG2' HD13 ' A' ' 301' ' ' LEU . 78.0 mttt -135.26 -65.53 0.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.647 -0.706 . . . . 10.0 110.766 179.705 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 87.1 t -62.93 -47.21 93.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.451 -0.341 . . . . 10.0 111.089 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 475' ' ' GLU . . . . . 0.401 ' HG3' ' HA ' ' D' ' 471' ' ' ARG . 9.8 mm-40 -56.44 -58.81 14.6 Favored Pre-proline 0 CA--C 1.537 0.475 0 N-CA-C 112.406 0.521 . . . . 10.0 112.406 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -63.56 -37.81 45.4 Favored 'Trans proline' 0 C--N 1.356 0.927 0 C-N-CA 121.737 1.625 . . . . 10.0 111.771 178.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 477' ' ' LEU . . . . . 0.494 ' HB2' ' O ' ' D' ' 473' ' ' LYS . 7.1 mt -65.01 -35.01 79.8 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 109.706 -0.479 . . . . 10.0 109.706 178.648 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 478' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' D' ' 478' ' ' ARG . 0.4 OUTLIER -67.39 -39.52 85.62 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.016 -0.735 . . . . 10.0 109.016 178.519 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -63.05 -42.01 99.63 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.128 -0.693 . . . . 10.0 109.128 178.475 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.91 -37.88 79.22 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 115.389 -0.823 . . . . 10.0 109.824 178.745 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 15.2 mt -66.95 -36.51 82.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.858 -0.61 . . . . 10.0 109.725 178.592 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.0 -44.73 83.97 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.991 -0.744 . . . . 10.0 108.991 178.473 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -66.57 -41.02 89.24 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 109.327 -0.62 . . . . 10.0 109.327 178.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -62.47 -40.12 98.69 Favored Glycine 0 N--CA 1.448 -0.527 0 N-CA-C 110.04 -1.224 . . . . 10.0 110.04 177.66 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -65.44 -39.32 91.93 Favored 'General case' 0 CA--C 1.516 -0.341 0 N-CA-C 109.18 -0.674 . . . . 10.0 109.18 178.369 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 73.6 mtt180 -62.94 -40.83 98.84 Favored 'General case' 0 CA--C 1.52 -0.176 0 N-CA-C 109.31 -0.626 . . . . 10.0 109.31 178.361 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -66.5 -48.79 68.7 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-N 115.631 -0.713 . . . . 10.0 109.389 178.364 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -61.5 -39.9 92.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.546 179.547 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 30.7 mt -64.18 -39.55 94.23 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.438 -0.578 . . . . 10.0 109.438 178.488 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 35.5 t60 -64.56 -43.24 94.55 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.239 -1.023 . . . . 10.0 108.239 178.27 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -58.61 -46.65 86.56 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 115.593 -0.73 . . . . 10.0 109.187 177.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 87.4 mt -63.52 -40.19 96.4 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-N 115.472 -0.785 . . . . 10.0 111.261 179.312 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -59.95 -35.3 74.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.155 0.503 . . . . 10.0 110.114 178.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -78.07 11.15 2.42 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.67 -0.695 . . . . 10.0 110.667 178.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 495' ' ' LYS . . . . . 0.739 ' HE3' HD22 ' A' ' 279' ' ' LEU . 11.6 mttp -132.11 -45.0 0.93 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.559 179.194 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 496' ' ' LEU . . . . . 0.513 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 97.1 mt -60.95 -32.44 71.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.987 -0.551 . . . . 10.0 111.649 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 497' ' ' SER . . . . . 0.412 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 15.9 m -78.17 -62.64 0.5 Allowed Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 116.385 -0.37 . . . . 10.0 111.926 179.086 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 498' ' ' PRO . . . . . 0.412 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 30.0 Cg_endo -63.23 -59.78 0.21 Allowed 'Trans proline' 0 C--N 1.356 0.96 0 C-N-CA 121.985 1.79 . . . . 10.0 112.451 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 499' ' ' LEU . . . . . 0.438 ' HB2' ' O ' ' D' ' 495' ' ' LYS . 17.4 mt -65.16 -32.42 74.1 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-N 116.771 -0.195 . . . . 10.0 110.948 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 500' ' ' GLY . . . . . 0.513 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -63.5 -48.12 80.99 Favored Glycine 0 N--CA 1.445 -0.755 0 N-CA-C 110.993 -0.843 . . . . 10.0 110.993 178.681 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -67.89 -35.65 78.86 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.13 -0.693 . . . . 10.0 109.13 178.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 502' ' ' GLU . . . . . 0.751 ' HG2' ' HE ' ' D' ' 506' ' ' ARG . 23.5 tt0 -63.54 -47.42 81.68 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 115.522 -0.763 . . . . 10.0 110.096 179.044 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 503' ' ' MET . . . . . 0.522 ' HA ' ' HD2' ' D' ' 506' ' ' ARG . 84.0 mmm -59.49 -38.13 80.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.004 0.431 . . . . 10.0 110.072 179.007 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 504' ' ' ARG . . . . . 0.511 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 81.3 mtt180 -66.54 -40.8 89.28 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.782 -0.644 . . . . 10.0 109.57 178.57 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -68.28 -37.33 80.58 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.126 -0.488 . . . . 10.0 109.801 178.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 506' ' ' ARG . . . . . 0.751 ' HE ' ' HG2' ' D' ' 502' ' ' GLU . 50.1 mtt180 -63.24 -43.58 97.66 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 107.783 -1.191 . . . . 10.0 107.783 177.569 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -60.17 -40.54 90.3 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.124 -0.944 . . . . 10.0 109.462 178.395 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 508' ' ' ARG . . . . . 0.511 ' HG3' ' O ' ' D' ' 504' ' ' ARG . 83.5 mtt180 -58.54 -50.33 74.18 Favored 'General case' 0 C--O 1.222 -0.368 0 N-CA-C 108.959 -0.756 . . . . 10.0 108.959 178.374 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 509' ' ' ALA . . . . . 0.707 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -58.54 -36.15 73.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.537 -0.756 . . . . 10.0 111.913 -179.71 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 510' ' ' HIS . . . . . 0.445 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 37.1 m-70 -76.67 -49.49 16.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.656 -0.247 . . . . 10.0 110.788 179.497 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 511' ' ' VAL . . . . . 0.479 ' O ' ' HG3' ' D' ' 515' ' ' ARG . 76.4 t -63.3 -42.75 97.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.511 -0.313 . . . . 10.0 110.676 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 512' ' ' ASP . . . . . 0.699 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 16.7 t70 -60.89 -36.37 79.07 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.157 0.503 . . . . 10.0 109.781 179.354 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -69.66 -44.15 71.13 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.637 -0.875 . . . . 10.0 108.637 178.233 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 514' ' ' LEU . . . . . 0.481 ' HA ' ' HB2' ' D' ' 517' ' ' HIS . 92.1 mt -60.1 -28.47 67.87 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 116.103 -0.498 . . . . 10.0 110.799 179.045 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 515' ' ' ARG . . . . . 0.699 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 79.7 mtt180 -66.42 -29.07 69.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.945 -0.57 . . . . 10.0 110.237 178.837 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -103.86 -6.49 21.32 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 115.753 -0.658 . . . . 10.0 110.733 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 517' ' ' HIS . . . . . 0.481 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 25.0 m170 -102.09 -55.68 2.43 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.0 -0.545 . . . . 10.0 111.461 -179.672 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 86.4 mt -78.35 -54.77 5.83 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.497 0.554 . . . . 10.0 112.497 -178.085 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 519' ' ' ALA . . . . . 0.626 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -48.78 -59.43 6.26 Favored Pre-proline 0 CA--C 1.537 0.462 0 N-CA-C 113.796 1.036 . . . . 10.0 113.796 -178.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 520' ' ' PRO . . . . . 0.626 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 45.1 Cg_exo -60.63 -37.28 80.77 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 121.725 1.617 . . . . 10.0 111.057 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -65.37 -37.24 86.43 Favored 'General case' 0 C--O 1.224 -0.276 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.265 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 522' ' ' SER . . . . . 0.4 ' O ' ' HG3' ' D' ' 526' ' ' ARG . 13.6 m -62.62 -37.59 86.91 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.097 0.475 . . . . 10.0 110.072 179.652 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -66.68 -38.83 87.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.875 -0.602 . . . . 10.0 109.649 179.168 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -70.83 -36.75 73.04 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.145 -0.687 . . . . 10.0 109.145 178.689 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 525' ' ' LEU . . . . . 0.481 HD23 ' HD2' ' D' ' 528' ' ' ARG . 66.2 mt -62.32 -34.59 76.92 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 109.232 -0.655 . . . . 10.0 109.232 178.264 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 526' ' ' ARG . . . . . 0.4 ' HG3' ' O ' ' D' ' 522' ' ' SER . 63.7 mtt180 -63.52 -40.63 97.53 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.546 -0.538 . . . . 10.0 109.546 178.395 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -63.16 -38.85 92.78 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.844 -0.617 . . . . 10.0 109.703 178.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 528' ' ' ARG . . . . . 0.589 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 96.8 mtt180 -71.4 -45.3 63.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.638 -0.71 . . . . 10.0 109.586 179.005 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 41.4 mt -62.89 -34.67 77.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.784 -0.644 . . . . 10.0 110.425 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -64.43 -38.18 90.12 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.22 -0.659 . . . . 10.0 109.22 178.547 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -67.62 -43.6 80.01 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.103 -0.703 . . . . 10.0 109.103 178.709 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 532' ' ' ARG . . . . . 0.421 ' O ' ' HG ' ' D' ' 536' ' ' LEU . 10.3 ttm180 -64.35 -40.66 96.31 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.711 -0.677 . . . . 10.0 109.633 178.418 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 16.0 mt -64.17 -38.72 92.09 Favored 'General case' 0 C--O 1.223 -0.291 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 178.334 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 534' ' ' GLU . . . . . 0.702 ' HA ' ' HE3' ' D' ' 537' ' ' LYS . 30.2 tt0 -63.15 -41.04 99.21 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.982 -0.747 . . . . 10.0 108.982 178.256 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -66.48 -41.68 88.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.547 -0.751 . . . . 10.0 109.491 178.275 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 536' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' D' ' 532' ' ' ARG . 49.2 mt -68.07 -24.28 65.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.718 179.143 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 537' ' ' LYS . . . . . 0.702 ' HE3' ' HA ' ' D' ' 534' ' ' GLU . 39.8 mtmt -81.1 -43.25 19.72 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.098 -0.704 . . . . 10.0 109.098 178.219 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -66.01 -48.58 70.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.774 -0.648 . . . . 10.0 109.563 179.255 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -75.19 -31.34 60.92 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.902 -0.59 . . . . 10.0 109.866 179.263 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -63.22 -52.58 46.19 Favored Glycine 0 N--CA 1.45 -0.431 0 N-CA-C 111.135 -0.786 . . . . 10.0 111.135 179.371 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -60.46 -38.71 95.25 Favored Glycine 0 N--CA 1.449 -0.479 0 N-CA-C 110.938 -0.865 . . . . 10.0 110.938 178.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -64.53 -50.26 68.04 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.8 -0.445 . . . . 10.0 109.8 178.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -59.85 -40.47 88.67 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 116.163 -0.471 . . . . 10.0 110.157 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 79.6 mt -64.27 -42.34 96.49 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-O 120.979 0.418 . . . . 10.0 109.881 179.029 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -62.01 -39.46 92.36 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.476 -0.564 . . . . 10.0 109.476 179.081 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -70.7 -44.16 67.49 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.565 -0.743 . . . . 10.0 109.854 178.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -59.67 -49.51 77.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.598 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 53.6 m80 -64.71 -38.94 92.7 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.952 0.406 . . . . 10.0 110.659 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -66.72 -47.46 72.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.137 0.494 . . . . 10.0 109.939 179.36 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 550' ' ' LYS . . . . . 0.492 ' O ' ' HB2' ' D' ' 554' ' ' HIS . 0.0 OUTLIER -67.7 -23.02 65.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.723 -0.671 . . . . 10.0 110.477 179.501 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -68.13 -42.53 80.04 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.397 -0.594 . . . . 10.0 109.397 178.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 2.6 m -68.16 -41.11 82.01 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.784 -0.644 . . . . 10.0 109.297 178.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -63.23 -41.55 99.11 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 109.008 -0.738 . . . . 10.0 109.008 178.429 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 554' ' ' HIS . . . . . 0.492 ' HB2' ' O ' ' D' ' 550' ' ' LYS . 2.9 t60 -65.29 -41.25 94.31 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 115.556 -0.747 . . . . 10.0 109.083 178.44 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 30.1 tp -60.34 -47.28 86.71 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.607 -0.724 . . . . 10.0 110.698 179.102 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 2.9 p -64.72 -40.6 95.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.421 -0.354 . . . . 10.0 111.411 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 1.5 p -70.58 -33.4 71.04 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.845 0.355 . . . . 10.0 110.911 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 38.1 mt -70.36 -51.84 26.9 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.243 178.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 559' ' ' SER . . . . . 0.421 ' HA ' ' HB3' ' D' ' 562' ' ' ALA . 12.5 p -65.33 -33.97 77.23 Favored 'General case' 0 C--N 1.332 -0.155 0 O-C-N 123.265 0.353 . . . . 10.0 110.625 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -52.67 -37.55 58.97 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.144 178.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 36.2 mttp -99.15 -33.91 10.58 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.01 -0.541 . . . . 10.0 111.818 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 562' ' ' ALA . . . . . 0.421 ' HB3' ' HA ' ' D' ' 559' ' ' SER . . . -55.37 -37.66 67.81 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 111.857 0.317 . . . . 10.0 111.857 -179.587 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -65.5 -63.3 3.52 Favored Pre-proline 0 CA--C 1.539 0.521 0 N-CA-C 111.953 0.353 . . . . 10.0 111.953 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_endo -63.14 -35.25 65.55 Favored 'Trans proline' 0 C--N 1.354 0.844 0 C-N-CA 122.133 1.889 . . . . 10.0 112.085 179.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -63.58 -49.05 74.91 Favored 'General case' 0 CA--C 1.52 -0.196 0 C-N-CA 121.239 -0.184 . . . . 10.0 110.753 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 566' ' ' LEU . . . . . 0.467 HD23 ' HA ' ' D' ' 566' ' ' LEU . 11.5 mt -63.16 -39.89 95.97 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.783 -0.367 . . . . 10.0 110.179 179.565 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 567' ' ' GLU . . . . . 0.439 ' O ' ' HG3' ' D' ' 571' ' ' GLN . 6.7 mm-40 -62.4 -56.36 18.99 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.807 -0.633 . . . . 10.0 109.935 178.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -60.19 -45.18 94.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.493 -0.776 . . . . 10.0 111.761 -179.295 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 36.3 mt -58.23 -44.06 88.04 Favored 'General case' 0 C--O 1.223 -0.307 0 CA-C-N 116.506 -0.316 . . . . 10.0 110.638 179.263 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 570' ' ' ARG . . . . . 0.46 ' O ' ' HG ' ' D' ' 574' ' ' LEU . 62.7 mtt180 -69.14 -39.18 78.99 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.873 0.368 . . . . 10.0 110.09 178.713 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 571' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' D' ' 567' ' ' GLU . 72.2 mt-30 -65.56 -23.71 66.92 Favored 'General case' 0 C--O 1.228 -0.077 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.545 179.012 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -93.35 -36.9 5.76 Favored Glycine 0 N--CA 1.443 -0.856 0 N-CA-C 111.108 -0.797 . . . . 10.0 111.108 178.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 24.6 mt -60.59 -41.41 94.65 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 122.08 0.152 . . . . 10.0 111.34 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 574' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' D' ' 570' ' ' ARG . 94.9 mt -54.22 -62.09 4.46 Favored Pre-proline 0 CA--C 1.538 0.519 0 N-CA-C 113.171 0.804 . . . . 10.0 113.171 -179.562 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_endo -62.97 -37.27 54.7 Favored 'Trans proline' 0 C--N 1.355 0.887 0 C-N-CA 122.19 1.926 . . . . 10.0 112.08 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 34.6 t -64.77 -43.11 96.49 Favored 'Isoleucine or valine' 0 C--O 1.231 0.09 0 CA-C-N 116.433 -0.349 . . . . 10.0 110.463 179.494 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 577' ' ' LEU . . . . . 0.406 ' O ' ' HG3' ' D' ' 581' ' ' LYS . 29.9 mt -64.05 -37.85 88.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.449 -0.341 . . . . 10.0 110.486 179.076 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -62.24 -45.54 92.87 Favored 'General case' 0 C--N 1.334 -0.095 0 N-CA-C 109.406 -0.59 . . . . 10.0 109.406 178.558 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 39.8 m -65.37 -38.79 91.09 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.496 -0.557 . . . . 10.0 109.496 178.624 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -61.82 -40.64 95.98 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.533 -0.543 . . . . 10.0 109.533 178.579 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 581' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' D' ' 577' ' ' LEU . 92.9 mttt -61.02 -40.48 93.73 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.174 -0.466 . . . . 10.0 109.801 178.444 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 53.1 t -59.91 -50.23 80.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.469 179.222 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.71 -32.05 72.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 10.0 111.019 179.39 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 584' ' ' PHE . . . . . 0.535 ' O ' ' HG ' ' D' ' 588' ' ' LEU . 17.8 t80 -69.14 -51.12 41.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.881 -0.599 . . . . 10.0 110.137 179.637 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 82.1 mt -59.65 -49.97 75.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.506 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 9.1 p -59.85 -36.1 76.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.702 0.287 . . . . 10.0 111.284 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 587' ' ' ALA . . . . . 0.809 ' HB2' ' HG2' ' A' ' 396' ' ' LYS . . . -67.1 -49.45 64.95 Favored 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 109.87 -0.419 . . . . 10.0 109.87 178.81 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 588' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' D' ' 584' ' ' PHE . 80.3 mt -57.59 -48.33 79.67 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 115.896 -0.593 . . . . 10.0 111.0 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -57.38 -51.01 71.14 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 116.266 -0.425 . . . . 10.0 111.442 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -66.95 -38.39 86.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.672 -0.24 . . . . 10.0 111.577 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -61.73 -38.96 89.87 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-O 120.786 0.327 . . . . 10.0 110.27 178.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 29.6 m -64.46 -31.0 72.04 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.156 0.503 . . . . 10.0 110.571 179.57 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -81.51 -35.87 29.88 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.647 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 594' ' ' LYS . . . . . 0.675 ' HE2' ' HB2' ' A' ' 388' ' ' SER . 5.1 mptt -74.23 -37.82 63.71 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.135 0.493 . . . . 10.0 110.994 179.294 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 55.4 mt -102.73 54.22 0.78 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.004 -0.544 . . . . 10.0 109.878 179.582 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.283 -0.417 . . . . 10.0 110.301 179.656 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 C--O 1.234 0.26 0 CA-C-O 120.748 0.308 . . . . 10.0 110.66 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' THR . . . . . 0.436 ' HB ' ' CE2' ' B' ' 4' ' ' TYR . 0.2 OUTLIER -67.01 131.54 46.07 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 116.275 -0.421 . . . . 10.0 110.829 179.653 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -96.21 135.96 37.32 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.846 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' TYR . . . . . 0.436 ' CE2' ' HB ' ' B' ' 2' ' ' THR . 94.7 m-85 -131.27 124.43 30.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.259 -0.428 . . . . 10.0 110.252 179.397 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -88.91 105.61 17.87 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.186 179.365 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.521 HD11 HD13 ' B' ' 53' ' ' LEU . 17.7 mt -104.97 116.96 32.85 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.829 -178.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 7' ' ' VAL . . . . . 0.468 HG11 ' HD2' ' B' ' 71' ' ' TYR . 46.2 t -107.11 129.57 60.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.324 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.468 HG12 ' HD2' ' B' ' 16' ' ' LYS . 11.5 t -91.86 109.79 21.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.052 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 16.4 m -110.29 147.19 14.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.104 0.478 . . . . 10.0 111.145 -179.489 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 150.82 172.94 20.41 Favored Glycine 0 N--CA 1.445 -0.727 0 N-CA-C 110.946 -0.862 . . . . 10.0 110.946 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.27 -173.36 1.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.043 0.449 . . . . 10.0 111.451 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.29 150.88 19.76 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.116 0.484 . . . . 10.0 111.215 -179.665 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 13' ' ' GLY . . . . . 0.974 ' HA2' H5'1 ' B' ' 201' ' ' GSP . . . 71.22 20.14 77.87 Favored Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.248 -0.887 . . . . 10.0 113.601 179.374 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 26.8 m -98.76 -14.16 7.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.982 0.391 . . . . 10.0 111.875 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' GLY . . . . . 0.669 ' HA2' ' C8 ' ' B' ' 201' ' ' GSP . . . 113.26 23.31 5.23 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.921 -0.657 . . . . 10.0 113.05 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.468 ' HD2' HG12 ' B' ' 8' ' ' VAL . 1.5 mmmm -63.04 -52.41 62.94 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.075 0.464 . . . . 10.0 110.983 -179.591 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 17' ' ' SER . . . . . 0.541 ' HB2' ' O1A' ' B' ' 201' ' ' GSP . 0.6 OUTLIER -74.05 -40.77 62.61 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.587 -179.807 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.42 -49.97 72.99 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.877 -0.601 . . . . 10.0 111.997 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 2.9 tp -60.47 -49.39 77.75 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.827 0.346 . . . . 10.0 110.959 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 7.4 m -61.75 -45.82 92.26 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.86 -0.609 . . . . 10.0 112.068 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.43 -34.85 69.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.789 0.328 . . . . 10.0 111.078 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' GLN . . . . . 0.707 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 7.0 mm-40 -65.91 -23.44 66.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.142 0.496 . . . . 10.0 111.062 179.754 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 36.8 tp -91.95 -39.67 11.56 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.828 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.467 HD11 HD12 ' B' ' 55' ' ' ILE . 51.0 mm -77.78 -64.31 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.046 -0.525 . . . . 10.0 112.2 -179.17 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -89.36 -10.54 46.25 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.398 -0.365 . . . . 10.0 111.71 -178.681 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' ASN . . . . . 0.707 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 40.5 m-80 63.42 35.73 11.93 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 114.206 1.187 . . . . 10.0 114.206 178.45 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -142.1 160.0 41.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.725 -0.216 . . . . 10.0 110.76 178.482 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' PHE . . . . . 0.421 ' HB2' ' NE2' ' B' ' 22' ' ' GLN . 63.5 t80 -104.34 126.65 51.62 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.227 0.537 . . . . 10.0 112.25 -178.656 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 3.3 m -90.85 125.19 43.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.511 -0.768 . . . . 10.0 109.725 178.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.15 -11.5 32.64 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.334 -0.393 . . . . 10.0 110.6 -179.646 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -93.5 138.42 31.81 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.171 -0.468 . . . . 10.0 110.243 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' TYR . . . . . 1.085 ' HD1' H5'2 ' B' ' 201' ' ' GSP . 82.6 t80 -75.71 120.72 21.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.489 -0.323 . . . . 10.0 111.224 -179.487 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 33' ' ' ASP . . . . . 0.439 ' HA ' ' HD2' ' B' ' 34' ' ' PRO . 25.9 t0 -127.34 101.06 25.37 Favored Pre-proline 0 C--O 1.237 0.437 0 CA-C-O 120.9 0.381 . . . . 10.0 111.647 179.471 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 34' ' ' PRO . . . . . 0.494 ' HA ' ' S1G' ' B' ' 201' ' ' GSP . 40.2 Cg_endo -68.42 106.38 1.41 Allowed 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 122.788 2.326 . . . . 10.0 112.056 179.666 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.45 ' CG2' ' HB2' ' B' ' 38' ' ' ASP . 2.0 m -88.41 139.03 30.9 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.796 -0.638 . . . . 10.0 110.447 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.535 ' HA ' ' HB2' ' B' ' 59' ' ' ALA . 47.2 mm -93.12 -49.45 12.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 109.117 -0.697 . . . . 10.0 109.117 178.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -169.46 87.72 0.16 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.746 -0.661 . . . . 10.0 109.875 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' ASP . . . . . 0.45 ' HB2' ' CG2' ' B' ' 35' ' ' THR . 7.6 t0 -107.82 152.77 23.94 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.85 0.357 . . . . 10.0 110.357 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -126.41 136.13 52.29 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.218 -0.447 . . . . 10.0 111.246 -179.158 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -131.85 133.38 44.59 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.2 -0.455 . . . . 10.0 110.287 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.485 ' HD2' ' OD2' ' B' ' 54' ' ' ASP . 0.6 OUTLIER -113.46 139.37 48.98 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.446 -0.343 . . . . 10.0 110.603 -179.675 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 65.8 tttp -157.8 126.41 5.6 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.102 -0.499 . . . . 10.0 111.117 179.365 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 -93.66 126.48 38.85 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.069 -0.514 . . . . 10.0 109.772 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 2.7 m -139.19 161.36 28.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.748 0.308 . . . . 10.0 111.032 -179.461 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 36.3 t -98.03 103.97 15.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.228 -0.656 . . . . 10.0 109.228 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 60.0 mt -115.27 127.78 72.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.181 -0.463 . . . . 10.0 111.011 -179.323 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 47' ' ' ASP . . . . . 0.567 ' OD1' ' HD2' ' B' ' 161' ' ' ARG . 55.3 m-20 68.61 8.3 6.62 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.827 -0.624 . . . . 10.0 111.842 179.352 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.59 -1.9 45.85 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.736 -0.745 . . . . 10.0 111.837 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -120.56 131.06 54.48 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.589 0.233 . . . . 10.0 110.583 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -74.59 131.0 40.59 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.049 -0.723 . . . . 10.0 109.049 179.441 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 50.0 m -136.0 150.04 49.07 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.04 0.448 . . . . 10.0 111.506 -179.497 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 53.4 tp -100.87 112.35 24.76 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.333 -0.988 . . . . 10.0 108.333 178.493 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' LEU . . . . . 0.521 HD13 HD11 ' B' ' 6' ' ' LEU . 43.9 mt -96.23 127.29 42.1 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.384 0.612 . . . . 10.0 112.397 -178.491 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 54' ' ' ASP . . . . . 0.485 ' OD2' ' HD2' ' B' ' 41' ' ' ARG . 23.0 t70 -101.21 97.36 7.89 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.142 -0.936 . . . . 10.0 108.477 178.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 55' ' ' ILE . . . . . 0.467 HD12 HD11 ' B' ' 24' ' ' ILE . 5.7 mt -89.41 133.28 31.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.567 -178.375 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 29.1 tp -123.17 104.23 9.04 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.286 0.565 . . . . 10.0 111.447 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -89.13 98.51 11.8 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.755 -0.831 . . . . 10.0 108.755 179.355 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.71 166.5 11.62 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.517 0.562 . . . . 10.0 112.517 -178.376 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 59' ' ' ALA . . . . . 0.535 ' HB2' ' HA ' ' B' ' 36' ' ' ILE . . . -65.18 154.16 38.85 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.697 -0.683 . . . . 10.0 112.2 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -135.29 33.58 2.42 Favored Glycine 0 N--CA 1.448 -0.545 0 N-CA-C 110.824 -0.91 . . . . 10.0 110.824 179.185 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -104.71 18.53 22.09 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.59 0.233 . . . . 10.0 111.344 -179.246 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.411 ' HB3' ' H ' ' B' ' 63' ' ' GLU . 1.0 OUTLIER 65.05 -158.98 0.29 Allowed 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.801 -0.636 . . . . 10.0 112.163 179.279 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.411 ' H ' ' HB3' ' B' ' 62' ' ' GLU . 0.1 OUTLIER 73.44 -56.08 0.66 Allowed 'General case' 0 N--CA 1.464 0.248 0 O-C-N 123.783 0.677 . . . . 10.0 112.396 179.671 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 64' ' ' TYR . . . . . 0.659 ' HB3' ' HB3' ' B' ' 67' ' ' MET . 27.4 m-85 -64.79 93.0 0.1 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.777 0.658 . . . . 10.0 112.777 -178.822 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 5.4 m -94.74 -48.88 5.86 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.946 -0.57 . . . . 10.0 109.642 179.091 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.46 -38.01 86.39 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 116.211 -0.45 . . . . 10.0 111.065 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 67' ' ' MET . . . . . 0.659 ' HB3' ' HB3' ' B' ' 64' ' ' TYR . 25.4 ttt -64.16 -37.25 86.77 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.183 179.405 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 68' ' ' ARG . . . . . 0.492 ' HA ' ' CE1' ' B' ' 71' ' ' TYR . 0.0 OUTLIER -59.99 -38.66 83.25 Favored 'General case' 0 C--N 1.334 -0.097 0 CA-C-N 115.53 -0.759 . . . . 10.0 111.282 -179.549 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.38 -20.96 66.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.762 -0.654 . . . . 10.0 112.316 -179.358 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -79.25 -65.75 0.96 Allowed 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 120.812 -0.355 . . . . 10.0 111.64 -179.274 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 71' ' ' TYR . . . . . 0.492 ' CE1' ' HA ' ' B' ' 68' ' ' ARG . 46.9 p90 -65.36 -29.75 70.5 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 113.752 1.019 . . . . 10.0 113.752 -178.423 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 72' ' ' MET . . . . . 0.426 ' HB2' ' O ' ' B' ' 68' ' ' ARG . 35.1 mtt -71.48 -16.78 62.37 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-O 120.879 0.371 . . . . 10.0 111.228 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 73' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' B' ' 73' ' ' ARG . 41.4 ttm105 -85.62 -46.61 10.62 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.15 0.5 . . . . 10.0 110.302 179.535 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.31 -29.65 61.71 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.714 -0.676 . . . . 10.0 112.436 -179.024 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -61.41 138.74 47.21 Favored Glycine 0 C--N 1.329 0.172 0 C-N-CA 121.0 -0.619 . . . . 10.0 113.594 -178.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -98.67 -43.06 6.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.018 0.437 . . . . 10.0 110.101 179.448 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -123.11 132.02 8.43 Favored Glycine 0 N--CA 1.444 -0.818 0 N-CA-C 110.667 -0.973 . . . . 10.0 110.667 179.074 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 78' ' ' PHE . . . . . 0.743 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 98.3 m-85 -112.89 117.55 32.43 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.701 0.63 . . . . 10.0 112.701 -178.848 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.661 HD12 ' HB ' ' B' ' 112' ' ' VAL . 11.9 tp -88.32 105.16 17.39 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 108.941 -0.763 . . . . 10.0 108.941 179.436 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 80' ' ' CYS . . . . . 0.565 ' HB3' HD12 ' B' ' 93' ' ' ILE . 3.8 m -81.8 96.17 7.52 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.236 -179.739 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 25.3 t -98.24 127.8 50.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.234 0.54 . . . . 10.0 111.582 -178.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 82' ' ' PHE . . . . . 0.618 ' HE2' ' HG ' ' B' ' 113' ' ' LEU . 47.3 p90 -141.18 149.56 41.61 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.396 -0.82 . . . . 10.0 109.305 178.127 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.418 ' HB1' ' OD1' ' B' ' 85' ' ' ASN . . . -89.42 132.64 34.9 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.906 -0.405 . . . . 10.0 109.906 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 84' ' ' ILE . . . . . 0.488 HD13 ' HB3' ' B' ' 123' ' ' ARG . 2.5 pp -66.95 -17.26 22.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.882 0.372 . . . . 10.0 111.608 -179.67 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 85' ' ' ASN . . . . . 0.418 ' OD1' ' HB1' ' B' ' 83' ' ' ALA . 25.1 p-10 -100.1 19.53 16.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.595 179.411 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -139.29 113.22 8.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.283 179.367 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.74 -34.94 67.36 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.165 0.432 . . . . 10.0 112.165 -179.047 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 29.3 tptp -60.38 -50.99 71.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 10.0 111.392 -179.637 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 2.9 m -60.13 -34.98 74.27 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 112.233 0.457 . . . . 10.0 112.233 -179.434 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 90' ' ' PHE . . . . . 0.452 ' HB2' HG21 ' B' ' 125' ' ' VAL . 41.2 t80 -63.69 -51.11 66.52 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.764 0.316 . . . . 10.0 111.53 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -73.83 -18.86 60.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.458 -0.337 . . . . 10.0 111.731 -179.061 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -68.7 -24.14 64.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.744 0.307 . . . . 10.0 111.206 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 93' ' ' ILE . . . . . 0.565 HD12 ' HB3' ' B' ' 80' ' ' CYS . 51.8 mm -59.41 -37.9 72.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.769 -179.747 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 63.5 t60 -61.59 -45.96 91.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 10.0 110.396 179.254 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 62.2 m-70 -64.35 -37.12 86.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.766 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -69.45 -42.67 74.63 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.706 -0.679 . . . . 10.0 110.413 179.547 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 97' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' B' ' 97' ' ' ARG . 43.0 ttt-85 -60.74 -45.21 95.16 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 120.902 0.382 . . . . 10.0 110.43 179.334 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -62.66 -38.72 91.41 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.178 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 99' ' ' GLN . . . . . 0.461 ' O ' HG23 ' B' ' 103' ' ' VAL . 40.3 tt0 -64.52 -50.62 66.64 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.565 -0.743 . . . . 10.0 110.453 179.214 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 100' ' ' ILE . . . . . 0.441 HG21 HG11 ' B' ' 109' ' ' VAL . 76.8 mt -56.65 -44.18 80.61 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 CA-C-N 116.165 -0.47 . . . . 10.0 111.221 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 101' ' ' LYS . . . . . 0.424 ' HB2' ' HE3' ' B' ' 101' ' ' LYS . 36.3 mtmt -59.41 -36.61 76.16 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.297 -0.41 . . . . 10.0 111.496 179.723 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 6.8 tmm_? -74.22 -44.21 54.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.989 -0.551 . . . . 10.0 110.999 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 103' ' ' VAL . . . . . 0.461 HG23 ' O ' ' B' ' 99' ' ' GLN . 52.2 t -64.22 -42.76 96.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.528 -0.305 . . . . 10.0 111.698 -179.218 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -89.5 -6.16 56.66 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.367 0.506 . . . . 10.0 112.367 -179.326 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 32.6 t0 53.75 51.1 15.58 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 121.316 0.579 . . . . 10.0 110.728 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 27.0 t -163.01 144.5 9.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.326 -0.852 . . . . 10.0 109.891 -179.046 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -89.85 -27.93 19.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.852 0.358 . . . . 10.0 110.105 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -84.09 92.76 7.97 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.837 -0.619 . . . . 10.0 110.478 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 0.441 HG11 HG21 ' B' ' 100' ' ' ILE . 62.1 t -127.19 127.06 24.34 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.488 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 110' ' ' PRO . . . . . 0.474 ' HG3' ' HB2' ' B' ' 166' ' ' HIS . 18.0 Cg_exo -67.63 110.3 2.06 Favored 'Trans proline' 0 C--O 1.235 0.345 0 C-N-CA 122.891 2.394 . . . . 10.0 111.304 179.305 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 111' ' ' MET . . . . . 0.743 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 54.9 mtm -136.6 148.27 47.4 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.832 -0.622 . . . . 10.0 111.189 -179.461 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 112' ' ' VAL . . . . . 0.661 ' HB ' HD12 ' B' ' 79' ' ' LEU . 88.3 t -121.16 127.76 75.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.084 -0.507 . . . . 10.0 109.871 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 113' ' ' LEU . . . . . 0.618 ' HG ' ' HE2' ' B' ' 82' ' ' PHE . 13.5 tp -85.15 109.85 18.57 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.233 -0.654 . . . . 10.0 109.233 179.183 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 72.2 t -114.33 115.63 50.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.962 0.41 . . . . 10.0 112.041 -178.201 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -99.24 105.72 3.1 Favored Glycine 0 N--CA 1.446 -0.684 0 N-CA-C 109.058 -1.617 . . . . 10.0 109.058 177.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 116' ' ' ASN . . . . . 0.457 ' ND2' ' HA3' ' B' ' 15' ' ' GLY . 63.0 t30 -92.21 162.88 14.13 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 112.288 0.477 . . . . 10.0 112.288 -178.063 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 117' ' ' LYS . . . . . 0.73 ' HE2' ' C4 ' ' B' ' 201' ' ' GSP . 90.9 mttt 71.26 25.41 3.56 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.102 -0.954 . . . . 10.0 112.518 179.263 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 118' ' ' CYS . . . . . 0.424 ' HA ' HG12 ' B' ' 84' ' ' ILE . 18.7 m -63.32 -18.41 63.6 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 113.058 0.762 . . . . 10.0 113.058 -179.661 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -82.67 -5.93 59.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.773 0.321 . . . . 10.0 111.143 -179.676 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 45.8 mt -88.33 138.73 30.25 Favored Pre-proline 0 C--N 1.328 -0.36 0 N-CA-C 109.992 -0.373 . . . . 10.0 109.992 179.191 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -73.71 158.68 46.72 Favored 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 123.066 2.511 . . . . 10.0 112.438 -179.534 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 22.6 m 63.7 67.58 0.62 Allowed 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.707 -0.679 . . . . 10.0 112.305 178.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 123' ' ' ARG . . . . . 0.488 ' HB3' HD13 ' B' ' 84' ' ' ILE . 17.6 ptp180 -84.86 137.63 33.03 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.688 -0.687 . . . . 10.0 110.536 179.682 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.5 -33.27 20.38 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.745 -0.465 . . . . 10.0 109.745 179.096 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 125' ' ' VAL . . . . . 0.452 HG21 ' HB2' ' B' ' 90' ' ' PHE . 60.5 t -96.66 112.17 28.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.168 179.351 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 126' ' ' ASP . . . . . 0.473 ' HB3' ' HE3' ' B' ' 128' ' ' LYS . 0.7 OUTLIER -74.32 145.24 44.07 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.736 -0.666 . . . . 10.0 109.43 179.178 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 1.5 m -55.83 -37.3 68.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.234 0.54 . . . . 10.0 110.699 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 128' ' ' LYS . . . . . 0.6 ' HB3' ' HA ' ' C' ' 47' ' ' ASP . 20.4 mtmt -58.61 -56.99 15.0 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.146 -0.934 . . . . 10.0 111.806 -179.693 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -63.67 -26.84 68.85 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 111.924 0.342 . . . . 10.0 111.924 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -71.17 -49.7 41.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 10.0 109.913 179.153 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 131' ' ' GLN . . . . . 0.437 ' HG3' ' HD2' ' B' ' 141' ' ' PHE . 11.1 mt-30 -68.87 -29.87 68.26 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.167 179.24 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -61.81 -38.38 87.92 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.278 178.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 34.5 tp -70.79 -38.41 73.37 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.811 -0.632 . . . . 10.0 110.45 179.419 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -69.99 -31.05 68.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.66 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? -57.8 -44.69 86.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.634 -0.712 . . . . 10.0 111.115 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.1 -20.49 63.19 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.097 -0.501 . . . . 10.0 111.756 -179.776 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 20.5 m-30 -88.08 -42.71 12.2 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.258 0.551 . . . . 10.0 110.903 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 105.66 -0.01 39.64 Favored Glycine 0 N--CA 1.448 -0.54 0 N-CA-C 111.169 -0.772 . . . . 10.0 111.169 -179.217 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 45.2 pt -99.79 158.83 31.4 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 109.991 -0.374 . . . . 10.0 109.991 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -88.12 151.9 6.92 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.671 2.248 . . . . 10.0 113.405 -179.669 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 141' ' ' PHE . . . . . 0.437 ' HD2' ' HG3' ' B' ' 131' ' ' GLN . 27.7 t80 -112.65 134.84 53.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.652 -0.704 . . . . 10.0 109.377 178.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 13.6 mt -123.23 133.62 68.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.781 0.324 . . . . 10.0 111.619 -179.376 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -87.32 111.88 21.51 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.164 -1.05 . . . . 10.0 108.164 177.472 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -120.28 164.88 15.62 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.553 0.692 . . . . 10.0 112.211 -177.284 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 5.4 t -153.23 116.14 4.54 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 107.98 -1.119 . . . . 10.0 107.98 178.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.7 -29.23 61.12 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.62 -0.511 . . . . 10.0 109.62 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -62.43 -43.21 99.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.515 -0.766 . . . . 10.0 110.948 179.048 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 68.5 p -93.71 -19.87 20.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.945 0.402 . . . . 10.0 110.779 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 149' ' ' ARG . . . . . 0.534 ' HG3' ' HB3' ' B' ' 22' ' ' GLN . 23.2 ttt-85 72.69 15.05 4.95 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.579 -0.737 . . . . 10.0 111.474 -179.446 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -81.93 123.73 29.11 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.312 -0.404 . . . . 10.0 111.135 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 84.36 -2.19 88.1 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 121.1 -0.571 . . . . 10.0 113.216 179.467 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 55.3 t -58.53 -51.25 73.96 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 N-CA-C 111.948 0.351 . . . . 10.0 111.948 -179.541 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -63.34 -44.19 95.57 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 110.156 -0.313 . . . . 10.0 110.156 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -58.94 -42.36 89.57 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.041 -0.527 . . . . 10.0 112.18 -179.219 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -53.53 -52.04 60.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.016 0.436 . . . . 10.0 111.124 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -69.03 -37.48 78.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.807 -0.633 . . . . 10.0 111.103 179.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -61.74 -40.64 95.81 Favored 'General case' 0 N--CA 1.457 -0.104 0 CA-C-O 120.934 0.397 . . . . 10.0 110.361 179.221 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 158' ' ' THR . . . . . 0.495 ' O ' ' HG2' ' B' ' 162' ' ' GLU . 22.1 m -60.99 -39.57 90.17 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.852 179.572 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 159' ' ' LEU . . . . . 0.489 HD23 ' HB3' ' B' ' 6' ' ' LEU . 15.2 tp -58.52 -40.19 82.2 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.731 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 39.4 t -67.31 -38.83 81.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.474 -0.565 . . . . 10.0 109.474 178.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 161' ' ' ARG . . . . . 0.567 ' HD2' ' OD1' ' B' ' 47' ' ' ASP . 0.2 OUTLIER -63.44 -39.54 94.76 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.022 179.065 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 162' ' ' GLU . . . . . 0.495 ' HG2' ' O ' ' B' ' 158' ' ' THR . 32.0 mm-40 -64.17 -41.42 97.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.857 -0.611 . . . . 10.0 110.692 179.436 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 163' ' ' ILE . . . . . 0.411 HG13 ' O ' ' B' ' 159' ' ' LEU . 79.9 mt -65.3 -43.24 95.12 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.122 0 N-CA-C 109.488 -0.56 . . . . 10.0 109.488 178.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 164' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' B' ' 164' ' ' ARG . 35.1 mtt180 -61.96 -39.01 90.68 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 116.129 -0.487 . . . . 10.0 109.881 178.77 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 165' ' ' LYS . . . . . 0.484 ' HG3' ' HG2' ' C' ' 135' ' ' ARG . 22.1 mtmt -65.94 -37.07 85.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.956 -0.565 . . . . 10.0 110.205 179.195 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 166' ' ' HIS . . . . . 0.474 ' HB2' ' HG3' ' B' ' 110' ' ' PRO . 14.3 t-160 -64.63 -44.31 90.92 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 109.882 -0.414 . . . . 10.0 109.882 179.142 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -64.9 -42.12 95.04 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.897 -0.409 . . . . 10.0 109.897 178.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -60.43 -44.16 96.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.358 -0.837 . . . . 10.0 109.088 178.623 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 37.4 tttm -68.69 -35.8 77.67 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.398 -0.819 . . . . 10.0 110.903 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 54.9 mmm -67.61 -22.79 65.34 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.061 0.458 . . . . 10.0 111.316 179.623 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 12.6 m -73.63 -40.64 63.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.35 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 172' ' ' LYS . . . . . 0.457 ' HA ' ' HG3' ' B' ' 176' ' ' LYS . 1.1 mttm -89.51 -15.75 32.29 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.216 179.725 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 173' ' ' ASP . . . . . 0.44 ' CG ' ' H ' ' B' ' 174' ' ' GLY 0.281 4.4 p30 48.05 -102.29 0.08 Allowed 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 113.254 0.835 . . . . 10.0 113.254 -178.745 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 174' ' ' GLY . . . . . 0.44 ' H ' ' CG ' ' B' ' 173' ' ' ASP . . . -140.68 -12.02 0.6 Allowed Glycine 0 N--CA 1.44 -1.046 0 N-CA-C 111.151 -0.78 . . . . 10.0 111.151 179.198 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 175' ' ' LYS . . . . . 0.476 ' HB2' ' H ' ' B' ' 176' ' ' LYS . 1.6 mttp -120.86 -95.64 0.48 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.752 0.31 . . . . 10.0 111.248 -179.035 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 176' ' ' LYS . . . . . 0.495 ' O ' ' H42' ' B' ' 207' ' ' PCW . 40.8 mmtm 55.88 -103.28 0.18 Allowed 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.749 -0.66 . . . . 10.0 111.754 -178.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 177' ' ' LYS . . . . . 0.449 ' HA ' ' O1P' ' B' ' 207' ' ' PCW . 53.3 tttp -91.77 -24.38 19.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.862 0.363 . . . . 10.0 110.501 -179.767 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 178' ' ' LYS . . . . . 0.458 ' HE3' ' HB3' ' B' ' 178' ' ' LYS . 10.9 ttpp 55.39 79.3 0.16 Allowed 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.763 -0.653 . . . . 10.0 111.16 -179.58 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 179' ' ' LYS . . . . . . . . . . . . . 3.6 mmmt -85.41 -33.61 21.91 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.591 -0.731 . . . . 10.0 111.107 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -110.84 177.08 4.79 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.187 -0.461 . . . . 10.0 111.074 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.55 130.46 46.91 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.662 -0.699 . . . . 10.0 112.03 -179.375 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 182' ' ' LYS . . . . . 0.489 ' HD3' ' HA ' ' B' ' 182' ' ' LYS . 0.4 OUTLIER -151.43 32.24 0.58 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.116 0.484 . . . . 10.0 111.395 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -93.95 -96.79 0.15 Allowed 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.828 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 184' ' ' LYS . . . . . 0.924 ' HD3' H321 ' C' ' 205' ' ' PCW . 1.6 mttp . . . . . 0 C--O 1.237 0.413 0 CA-C-N 116.361 -0.381 . . . . 10.0 110.135 -179.654 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 8.5 m . . . . . 0 CA--C 1.529 0.141 0 CA-C-O 120.83 0.347 . . . . 10.0 111.545 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 2' ' ' THR . . . . . 0.401 ' HB ' ' CE2' ' C' ' 4' ' ' TYR . 0.2 OUTLIER -70.21 126.58 30.09 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.4 -0.364 . . . . 10.0 111.502 -179.215 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -97.87 135.0 40.24 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.784 -0.45 . . . . 10.0 109.784 179.353 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 4' ' ' TYR . . . . . 0.434 ' CE2' ' HB3' ' C' ' 51' ' ' CYS . 96.5 m-85 -125.26 114.08 18.47 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.425 -0.352 . . . . 10.0 110.921 -179.319 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 5' ' ' LYS . . . . . 0.556 ' HA ' ' HB3' ' C' ' 54' ' ' ASP . 51.3 mttm -85.71 119.65 26.27 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.543 -0.54 . . . . 10.0 109.543 179.029 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 6' ' ' LEU . . . . . 0.582 HD11 HG22 ' C' ' 160' ' ' VAL . 20.1 mt -124.58 133.54 53.25 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.011 0.434 . . . . 10.0 111.289 -178.802 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 58.7 t -113.31 129.25 69.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.048 -0.524 . . . . 10.0 110.212 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.504 HG12 ' HD2' ' C' ' 16' ' ' LYS . 3.0 t -92.35 109.73 21.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.595 -0.52 . . . . 10.0 109.595 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 15.9 m -106.49 150.18 9.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.481 -0.327 . . . . 10.0 111.446 -179.428 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 155.66 176.79 28.22 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 121.229 -0.51 . . . . 10.0 112.034 -179.499 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.88 -174.51 5.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.987 0.422 . . . . 10.0 111.363 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.67 144.14 26.04 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.847 0.356 . . . . 10.0 110.957 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 13' ' ' GLY . . . . . 0.831 ' HA2' H5'1 ' C' ' 201' ' ' GSP . . . 80.76 11.99 83.3 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 121.121 -0.562 . . . . 10.0 113.523 179.473 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 34.8 m -89.52 -21.49 6.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 117.407 0.603 . . . . 10.0 111.922 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 15' ' ' GLY . . . . . 0.744 ' HA2' ' H8 ' ' C' ' 201' ' ' GSP . . . 108.68 20.2 8.25 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.635 -0.793 . . . . 10.0 113.709 179.052 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 16' ' ' LYS . . . . . 0.504 ' HD2' HG12 ' C' ' 8' ' ' VAL . 33.6 mtmt -56.96 -45.17 83.03 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 112.126 0.417 . . . . 10.0 112.126 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 17' ' ' SER . . . . . 0.43 ' OG ' ' O3G' ' C' ' 201' ' ' GSP . 0.7 OUTLIER -76.28 -39.09 55.18 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.644 -0.253 . . . . 10.0 110.64 -179.833 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.91 -48.59 77.87 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.407 -0.36 . . . . 10.0 110.92 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 19' ' ' LEU . . . . . 0.568 ' HB3' ' HZ ' ' C' ' 156' ' ' PHE . 84.2 mt -61.4 -46.86 88.38 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.335 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 6.6 m -66.88 -46.16 75.84 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.133 -0.485 . . . . 10.0 112.106 -179.375 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 84.7 mt -61.58 -32.9 54.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.181 0.515 . . . . 10.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 22' ' ' GLN . . . . . 0.658 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 5.3 mm-40 -65.23 -27.28 68.56 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.547 -0.751 . . . . 10.0 111.268 179.661 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 16.6 tp -92.43 -34.26 14.2 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.973 0.416 . . . . 10.0 111.324 -179.639 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 50.8 mm -81.91 -59.3 2.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.207 -0.451 . . . . 10.0 112.114 -178.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -91.23 -16.35 27.77 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.694 0.283 . . . . 10.0 111.75 -178.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 26' ' ' ASN . . . . . 0.658 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 26.5 m-80 70.16 30.36 3.5 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 114.149 1.166 . . . . 10.0 114.149 178.144 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -137.21 156.4 48.36 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 120.929 -0.309 . . . . 10.0 110.748 179.278 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -93.88 135.33 35.32 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.086 0.469 . . . . 10.0 110.721 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 5.8 m -100.43 132.84 45.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.143 -0.481 . . . . 10.0 110.979 179.501 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -108.52 -9.63 15.34 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.975 0.893 . . . . 10.0 109.472 179.009 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -91.45 143.45 26.59 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.013 -0.994 . . . . 10.0 109.985 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 32' ' ' TYR . . . . . 0.88 ' CD1' H5'2 ' C' ' 201' ' ' GSP . 79.2 t80 -75.34 115.53 15.09 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.607 -0.269 . . . . 10.0 110.693 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -110.49 108.56 58.34 Favored Pre-proline 0 C--O 1.238 0.48 0 CA-C-N 116.286 -0.415 . . . . 10.0 111.708 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -75.69 77.66 3.29 Favored 'Trans proline' 0 N--CA 1.459 -0.559 0 C-N-CA 122.727 2.285 . . . . 10.0 110.514 178.448 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 35' ' ' THR . . . . . 0.45 HG22 ' HB2' ' C' ' 38' ' ' ASP . 0.2 OUTLIER -73.47 120.89 19.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.019 -0.537 . . . . 10.0 109.871 179.416 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 36' ' ' ILE . . . . . 0.891 ' HA ' ' HB2' ' C' ' 59' ' ' ALA . 27.1 mm -95.38 -46.01 13.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.073 0.463 . . . . 10.0 110.203 -179.759 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -164.83 91.57 0.56 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.776 -0.647 . . . . 10.0 109.271 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 38' ' ' ASP . . . . . 0.45 ' HB2' HG22 ' C' ' 35' ' ' THR . 0.3 OUTLIER -120.42 131.55 54.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.471 -0.331 . . . . 10.0 111.499 -179.001 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 4.4 m -100.64 144.64 29.37 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.796 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -135.29 136.25 41.48 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.314 -0.403 . . . . 10.0 110.24 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 41' ' ' ARG . . . . . 0.615 ' HA ' ' O ' ' C' ' 53' ' ' LEU . 0.2 OUTLIER -124.1 129.11 50.3 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.713 0.292 . . . . 10.0 110.648 179.19 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -143.2 146.83 34.03 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.51 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -104.03 120.94 42.13 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.504 -0.554 . . . . 10.0 109.504 179.246 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 31.2 m -127.65 150.37 33.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.137 0.494 . . . . 10.0 111.131 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 22.2 t -112.64 82.88 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.096 -0.705 . . . . 10.0 109.096 179.408 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 34.5 pt -107.98 139.25 30.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.589 -179.331 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 47' ' ' ASP . . . . . 0.6 ' HA ' ' HB3' ' B' ' 128' ' ' LYS . 11.2 m-20 61.87 15.98 7.6 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.406 -0.816 . . . . 10.0 111.219 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 86.09 14.0 67.73 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.888 -0.672 . . . . 10.0 111.767 -179.397 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -118.11 134.93 54.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.778 0.323 . . . . 10.0 110.865 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -86.77 103.16 14.94 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.03 -1.1 . . . . 10.0 108.03 178.25 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 51' ' ' CYS . . . . . 0.434 ' HB3' ' CE2' ' C' ' 4' ' ' TYR . 0.8 OUTLIER -108.3 144.59 35.61 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 112.627 0.603 . . . . 10.0 112.627 -178.353 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 62.9 tp -104.21 113.98 27.91 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 108.315 -0.994 . . . . 10.0 108.315 178.172 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 53' ' ' LEU . . . . . 0.615 ' O ' ' HA ' ' C' ' 41' ' ' ARG . 33.1 mt -85.13 121.35 27.76 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 112.711 0.634 . . . . 10.0 112.711 -178.002 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 54' ' ' ASP . . . . . 0.579 ' OD1' ' HD2' ' C' ' 41' ' ' ARG . 26.5 t70 -109.75 74.63 0.9 Allowed 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 107.447 -1.316 . . . . 10.0 107.447 178.182 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 55' ' ' ILE . . . . . 0.529 ' HA ' ' O ' ' C' ' 6' ' ' LEU . 2.5 mt -86.79 158.36 3.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.415 -0.811 . . . . 10.0 111.761 -177.571 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 6.6 tp -152.24 120.99 6.51 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.323 -0.398 . . . . 10.0 111.307 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -97.33 116.49 29.64 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 108.575 -0.898 . . . . 10.0 108.575 177.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 58' ' ' THR . . . . . 0.553 HG21 ' CE1' ' C' ' 71' ' ' TYR . 0.6 OUTLIER -107.98 157.49 18.18 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.258 -0.428 . . . . 10.0 111.612 -178.914 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 59' ' ' ALA . . . . . 0.891 ' HB2' ' HA ' ' C' ' 36' ' ' ILE . . . -65.96 121.03 14.17 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.814 -0.63 . . . . 10.0 112.623 -179.347 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -103.03 41.93 2.01 Favored Glycine 0 N--CA 1.448 -0.512 0 N-CA-C 110.382 -1.087 . . . . 10.0 110.382 178.404 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -94.14 13.13 24.15 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.651 -0.275 . . . . 10.0 111.713 -178.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 68.13 172.16 0.28 Allowed 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.062 -0.517 . . . . 10.0 111.845 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 67.42 39.65 2.87 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.316 0.579 . . . . 10.0 109.651 -179.651 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -131.02 35.55 3.94 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.151 -0.932 . . . . 10.0 110.269 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 1.9 m -62.71 -24.43 67.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.933 -0.576 . . . . 10.0 111.797 -179.184 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.15 -40.59 9.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.957 0.408 . . . . 10.0 110.96 179.379 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 67' ' ' MET . . . . . 0.458 ' HA ' ' OE1' ' C' ' 70' ' ' GLN . 21.2 ttt -67.5 -41.19 84.9 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.972 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 68' ' ' ARG . . . . . 0.695 ' HB3' HE22 ' C' ' 99' ' ' GLN . 6.8 ttp180 -66.91 -12.84 60.74 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.991 -0.549 . . . . 10.0 111.632 -179.504 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -81.49 -23.38 37.39 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.021 -0.536 . . . . 10.0 111.172 -179.491 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 70' ' ' GLN . . . . . 0.458 ' OE1' ' HA ' ' C' ' 67' ' ' MET . 38.4 mt-30 -74.61 -73.73 0.23 Allowed 'General case' 0 C--O 1.234 0.285 0 N-CA-C 112.768 0.655 . . . . 10.0 112.768 -178.757 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 71' ' ' TYR . . . . . 0.629 ' CZ ' ' HA ' ' C' ' 68' ' ' ARG . 15.1 p90 -60.54 -11.32 6.74 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.426 0.899 . . . . 10.0 113.426 -178.176 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 72' ' ' MET . . . . . 0.586 ' SD ' ' HA ' ' C' ' 100' ' ' ILE . 26.2 ttm -71.84 -24.46 61.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.339 0.59 . . . . 10.0 110.345 179.274 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 69.0 mtt180 -80.8 -43.31 20.29 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.78 -0.646 . . . . 10.0 109.705 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -73.8 -41.67 62.03 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.542 -0.754 . . . . 10.0 112.065 -179.291 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.9 131.01 36.58 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 121.012 -0.613 . . . . 10.0 112.795 -179.352 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -96.07 -45.75 6.77 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.05 0.452 . . . . 10.0 110.518 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -108.99 131.94 10.83 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.95 -0.643 . . . . 10.0 111.775 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 78' ' ' PHE . . . . . 0.408 ' HZ ' ' HA ' ' C' ' 72' ' ' MET . 87.6 m-85 -113.96 122.0 45.62 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.8 0.333 . . . . 10.0 111.09 -179.731 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 79' ' ' LEU . . . . . 0.579 ' HG ' HG23 ' C' ' 81' ' ' VAL . 17.5 tp -91.83 106.98 18.88 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.873 -0.603 . . . . 10.0 110.465 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 2.7 m -84.96 85.15 7.51 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.857 -0.61 . . . . 10.0 110.819 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 81' ' ' VAL . . . . . 0.579 HG23 ' HG ' ' C' ' 79' ' ' LEU . 94.9 t -97.54 131.87 43.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.562 -0.745 . . . . 10.0 110.099 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 82' ' ' PHE . . . . . 0.729 ' HB2' ' HB2' ' C' ' 89' ' ' SER . 34.4 p90 -139.89 158.49 44.0 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.826 -0.625 . . . . 10.0 110.185 178.834 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -90.89 126.93 36.19 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.556 -0.535 . . . . 10.0 109.556 179.597 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 84' ' ' ILE . . . . . 0.571 ' CD1' ' HA ' ' C' ' 118' ' ' CYS . 21.4 pt -67.2 -17.99 23.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.929 0.395 . . . . 10.0 111.694 -179.166 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 19.9 p-10 -95.41 -8.03 36.7 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.488 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -120.73 103.18 8.91 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.981 0.42 . . . . 10.0 110.039 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.06 -24.78 67.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.956 -0.566 . . . . 10.0 112.523 -178.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -58.07 -44.38 87.51 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 120.95 0.405 . . . . 10.0 110.155 179.387 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 89' ' ' SER . . . . . 0.729 ' HB2' ' HB2' ' C' ' 82' ' ' PHE . 0.0 OUTLIER -66.59 -31.17 71.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.95 -0.568 . . . . 10.0 111.291 179.637 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -69.05 -39.75 78.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.037 -0.528 . . . . 10.0 111.096 -179.34 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 63.9 mt-10 -80.5 -27.8 37.66 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.902 0.382 . . . . 10.0 110.777 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.74 -21.45 66.76 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.97 -0.559 . . . . 10.0 111.164 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 93' ' ' ILE . . . . . 0.502 HD11 ' HB3' ' C' ' 82' ' ' PHE . 42.0 mm -57.16 -43.3 81.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 10.0 111.019 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -60.19 -36.3 77.31 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.123 -0.489 . . . . 10.0 110.853 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 50.6 m-70 -62.82 -42.01 99.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.369 179.564 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -69.02 -46.72 67.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.881 -0.6 . . . . 10.0 110.117 179.607 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -52.91 -51.36 61.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.692 -179.545 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -67.41 -37.23 82.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.312 -0.404 . . . . 10.0 112.03 -179.409 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 99' ' ' GLN . . . . . 0.695 HE22 ' HB3' ' C' ' 68' ' ' ARG . 26.5 tt0 -66.27 -47.0 75.12 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.606 -0.27 . . . . 10.0 110.797 -179.744 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 100' ' ' ILE . . . . . 0.586 ' HA ' ' SD ' ' C' ' 72' ' ' MET . 87.3 mt -60.12 -39.78 81.48 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 CA-C-O 121.092 0.473 . . . . 10.0 110.347 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 3.0 mtmt -67.56 -21.36 65.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.685 -0.689 . . . . 10.0 111.676 179.602 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 15.6 ttm180 -88.03 -47.17 8.72 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.35 0.595 . . . . 10.0 111.439 -179.639 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 103' ' ' VAL . . . . . 0.421 HG11 ' HB3' ' C' ' 72' ' ' MET . 60.8 t -64.8 -51.05 71.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.791 -0.64 . . . . 10.0 111.522 -179.299 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -79.52 -16.52 55.84 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 116.407 -0.36 . . . . 10.0 111.455 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 20.6 t0 58.12 32.83 22.51 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 121.448 0.642 . . . . 10.0 112.371 178.277 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 4.4 m -122.79 150.98 42.08 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.883 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -88.48 -48.8 7.34 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.632 -0.507 . . . . 10.0 109.632 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -76.48 98.61 4.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.401 -0.818 . . . . 10.0 110.298 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 109' ' ' VAL . . . . . 0.409 HG12 ' HG3' ' C' ' 111' ' ' MET . 76.3 t -119.41 110.03 37.92 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 115.563 -0.744 . . . . 10.0 109.905 -179.679 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -65.37 112.99 2.28 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.817 2.345 . . . . 10.0 111.153 179.033 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 111' ' ' MET . . . . . 0.409 ' HG3' HG12 ' C' ' 109' ' ' VAL . 56.3 mtm -137.94 163.8 30.6 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.504 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 75.5 t -139.12 127.43 27.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 108.872 -0.788 . . . . 10.0 108.872 179.455 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 113' ' ' LEU . . . . . 0.517 ' O ' ' HA ' ' C' ' 141' ' ' PHE . 14.0 tp -88.31 110.87 21.11 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.356 -0.609 . . . . 10.0 109.356 179.78 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 60.9 t -116.15 127.92 73.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 112.44 0.533 . . . . 10.0 112.44 -178.33 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -101.53 118.1 6.05 Favored Glycine 0 N--CA 1.444 -0.808 0 N-CA-C 109.284 -1.526 . . . . 10.0 109.284 178.54 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -100.44 158.38 15.95 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.927 0.364 . . . . 10.0 111.938 -178.573 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 117' ' ' LYS . . . . . 0.795 ' HE2' ' C5 ' ' C' ' 201' ' ' GSP . 79.2 mttt 64.83 41.54 4.92 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-N 115.547 -0.751 . . . . 10.0 112.09 179.751 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 118' ' ' CYS . . . . . 0.571 ' HA ' ' CD1' ' C' ' 84' ' ' ILE . 73.8 m -74.82 2.48 10.07 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.2 -0.454 . . . . 10.0 111.813 179.778 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -92.73 -9.35 40.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.007 0.432 . . . . 10.0 110.489 179.476 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 64.1 mt -74.81 132.82 77.01 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.894 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -72.38 139.25 31.47 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.539 2.16 . . . . 10.0 111.909 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 13.2 m 70.31 76.09 0.2 Allowed 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 115.582 -0.735 . . . . 10.0 111.636 -179.594 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 9.5 ptp180 -81.03 136.63 36.0 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.667 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -76.08 -48.78 19.5 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.881 0.372 . . . . 10.0 110.902 179.449 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 99.1 t -85.16 121.01 36.5 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 CA-C-N 116.299 -0.41 . . . . 10.0 110.772 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.5 137.58 34.58 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.949 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.24 -25.03 67.59 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.167 0.508 . . . . 10.0 110.258 179.19 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -51.88 -49.89 62.07 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 115.122 -0.944 . . . . 10.0 111.932 179.691 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -96.52 -16.72 20.95 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.972 0.36 . . . . 10.0 111.972 -179.274 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.85 -42.82 94.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.843 0.354 . . . . 10.0 110.663 179.601 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -81.81 -22.15 37.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.295 -0.411 . . . . 10.0 110.673 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 132' ' ' ASP . . . . . 0.421 ' O ' ' HB3' ' C' ' 135' ' ' ARG . 2.0 t70 -63.81 -40.07 95.76 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.921 -0.582 . . . . 10.0 110.04 178.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 13.4 tp -66.02 -38.25 87.97 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.378 -0.828 . . . . 10.0 109.711 179.516 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -68.85 -27.91 66.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.636 -0.711 . . . . 10.0 111.077 179.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 135' ' ' ARG . . . . . 0.484 ' HG2' ' HG3' ' B' ' 165' ' ' LYS . 3.7 tmm_? -57.19 -47.26 81.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.998 -0.547 . . . . 10.0 112.069 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.96 -21.15 55.2 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.898 0.38 . . . . 10.0 112.009 -179.128 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 15.3 m-30 -83.2 -33.62 26.11 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.736 0.303 . . . . 10.0 110.981 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 91.18 16.58 53.36 Favored Glycine 0 N--CA 1.451 -0.332 0 N-CA-C 110.975 -0.85 . . . . 10.0 110.975 -179.444 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 49.9 pt -106.12 154.49 39.57 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 115.276 -0.462 . . . . 10.0 110.197 -179.425 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -88.72 150.74 6.13 Favored 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 122.353 2.035 . . . . 10.0 112.805 179.546 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 141' ' ' PHE . . . . . 0.517 ' HA ' ' O ' ' C' ' 113' ' ' LEU . 76.9 t80 -113.78 128.7 56.52 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.205 -0.665 . . . . 10.0 109.205 178.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 54.9 mt -123.07 126.16 73.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.046 0.451 . . . . 10.0 111.969 -179.285 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -83.63 128.75 34.76 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.718 -1.215 . . . . 10.0 107.718 177.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 5.7 p -137.36 160.26 39.59 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 114.088 1.144 . . . . 10.0 114.088 -178.203 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 26.0 t -153.71 108.91 3.17 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.398 -1.274 . . . . 10.0 107.626 177.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 146' ' ' ALA . . . . . 0.411 ' HA ' HG21 ' C' ' 152' ' ' VAL . . . -69.35 -24.79 63.95 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.334 -0.394 . . . . 10.0 111.524 -179.102 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -63.97 -42.43 97.26 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.957 179.462 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 7.9 p -93.76 -14.1 26.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.357 -0.383 . . . . 10.0 111.392 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 59.75 48.22 9.46 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.94 -179.313 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -118.43 112.48 20.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.849 -0.614 . . . . 10.0 112.005 -179.376 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 84.84 -11.86 58.67 Favored Glycine 0 N--CA 1.452 -0.248 0 CA-C-N 115.847 -0.615 . . . . 10.0 113.58 178.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 152' ' ' VAL . . . . . 0.411 HG21 ' HA ' ' C' ' 146' ' ' ALA . 38.6 t -63.4 -42.44 96.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.742 0.306 . . . . 10.0 111.744 -178.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.26 -54.98 37.19 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.861 -0.609 . . . . 10.0 111.761 -179.095 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -65.44 -24.02 67.08 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 112.661 0.615 . . . . 10.0 112.661 -178.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -59.89 -44.17 94.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.018 0.437 . . . . 10.0 110.512 179.461 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 156' ' ' PHE . . . . . 0.568 ' HZ ' ' HB3' ' C' ' 19' ' ' LEU . 23.2 m-85 -68.3 -38.57 81.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.653 -0.703 . . . . 10.0 110.461 179.78 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 15.2 m-30 -66.37 -38.29 87.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.882 -0.599 . . . . 10.0 111.113 -179.398 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 37.3 m -63.68 -35.21 79.8 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.198 -0.455 . . . . 10.0 110.125 179.563 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 159' ' ' LEU . . . . . 0.455 HD22 HD13 ' C' ' 79' ' ' LEU . 33.5 tp -63.27 -37.89 89.03 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 116.17 -0.468 . . . . 10.0 109.754 178.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 160' ' ' VAL . . . . . 0.582 HG22 HD11 ' C' ' 6' ' ' LEU . 44.0 t -70.67 -40.88 77.53 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 CA-C-N 115.753 -0.658 . . . . 10.0 110.17 179.316 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 161' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' C' ' 161' ' ' ARG . 28.5 mtm-85 -62.37 -36.83 83.49 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.228 -0.442 . . . . 10.0 111.867 -179.664 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -61.0 -30.0 70.03 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.611 -0.268 . . . . 10.0 110.905 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 163' ' ' ILE . . . . . 0.486 HG22 ' HE3' ' C' ' 167' ' ' LYS . 46.0 mm -68.76 -43.66 82.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.064 178.725 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 33.2 ttm180 -68.12 -39.2 82.8 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 109.125 -0.695 . . . . 10.0 109.125 179.272 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.76 -40.21 91.64 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.336 -0.847 . . . . 10.0 109.425 178.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 15.9 t-80 -65.47 -44.26 87.72 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.606 -0.725 . . . . 10.0 110.293 179.121 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 167' ' ' LYS . . . . . 0.486 ' HE3' HG22 ' C' ' 163' ' ' ILE . 97.3 mttt -58.97 -45.78 89.71 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.33 -0.395 . . . . 10.0 110.846 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -64.36 -51.45 63.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.947 -0.57 . . . . 10.0 111.373 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -66.4 -24.75 66.52 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.32 -0.4 . . . . 10.0 111.978 -178.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -66.93 -30.64 70.83 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.74 -0.467 . . . . 10.0 109.74 178.345 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 10.2 m -75.26 -17.29 60.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.823 -0.626 . . . . 10.0 109.723 178.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 172' ' ' LYS . . . . . 0.513 ' HA ' ' HG3' ' C' ' 176' ' ' LYS . 93.9 mttt -98.94 17.89 18.5 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.645 -0.707 . . . . 10.0 109.957 179.486 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 173' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -118.44 106.3 12.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.51 179.453 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . 91.11 -91.72 1.68 Allowed Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.887 -0.673 . . . . 10.0 112.761 179.447 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 175' ' ' LYS . . . . . 0.834 ' HE3' ' H1 ' ' C' ' 214' ' ' 17F . 12.0 mptt -75.71 87.25 2.75 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.262 0.553 . . . . 10.0 112.313 -178.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 176' ' ' LYS . . . . . 0.513 ' HG3' ' HA ' ' C' ' 172' ' ' LYS . 5.7 tmtt? -138.36 130.41 28.44 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.492 -0.777 . . . . 10.0 109.661 179.421 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 177' ' ' LYS . . . . . 0.536 ' HG2' ' HG2' ' C' ' 178' ' ' LYS . 31.4 ttmt -70.14 -88.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.056 0.391 . . . . 10.0 112.056 -179.459 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 178' ' ' LYS . . . . . 0.536 ' HG2' ' HG2' ' C' ' 177' ' ' LYS . 7.4 pttt -163.51 -148.79 0.13 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.567 -0.288 . . . . 10.0 110.818 -179.315 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 179' ' ' LYS . . . . . 0.457 ' H ' ' HB2' ' C' ' 178' ' ' LYS . 58.6 mttp -83.52 -77.28 0.26 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.681 0.277 . . . . 10.0 111.052 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 180' ' ' LYS . . . . . 0.463 ' HA ' ' HD2' ' C' ' 180' ' ' LYS . 13.0 tptp -150.9 4.06 0.47 Allowed 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 111.838 0.311 . . . . 10.0 111.838 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 19.4 m 71.26 18.61 5.63 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.175 0.435 . . . . 10.0 112.175 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 182' ' ' LYS . . . . . 0.585 ' O ' ' H63' ' A' ' 410' ' ' PCW . 5.8 tmtp? 51.39 67.15 1.0 Allowed 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.866 -0.606 . . . . 10.0 112.105 179.423 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 1.4 p -96.13 110.28 22.58 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.287 -0.415 . . . . 10.0 111.251 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 184' ' ' LYS . . . . . 0.713 ' HA ' ' C8 ' ' A' ' 410' ' ' PCW . 58.7 mttt . . . . . 0 N--CA 1.467 0.383 0 CA-C-N 115.864 -0.607 . . . . 10.0 111.768 -179.571 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 401' ' ' PCW . . . . . 1.079 H461 H251 ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 402' ' ' PCW . . . . . 0.879 H442 H282 ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 403' ' ' PCW . . . . . 1.114 ' H31' ' H41' ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 404' ' ' PCW . . . . . 1.106 ' C16' H421 ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 405' ' ' PCW . . . . . 0.982 ' H52' H121 ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 406' ' ' PCW . . . . . 1.099 ' H40' H172 ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 407' ' ' PCW . . . . . 1.147 H212 ' C17' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 408' ' ' PCW . . . . . 1.014 ' C4 ' ' H32' ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 409' ' ' PCW . . . . . 1.184 ' C19' H142 ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 410' ' ' PCW . . . . . 1.089 H372 H321 ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 411' ' ' PCW . . . . . 1.081 H262 H252 ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 412' ' ' PCW . . . . . 0.982 H451 H182 ' C' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 413' ' ' PCW . . . . . 1.014 ' H32' ' C4 ' ' A' ' 408' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 414' ' ' PCW . . . . . 1.051 H341 ' H32' ' A' ' 415' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 415' ' ' 17F . . . . . 1.051 ' H32' H341 ' A' ' 414' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 416' ' ' 17F . . . . . 1.105 ' H57' H211 ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 417' ' ' PCW . . . . . 0.996 H283 H251 ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 418' ' ' PCW . . . . . 0.853 H332 H132 ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 419' ' ' PCW . . . . . 0.748 ' C40' H441 ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 420' ' ' PCW . . . . . 1.009 H372 ' C43' ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 421' ' ' PCW . . . . . 1.055 H162 ' H57' ' D' ' 630' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 422' ' ' 17F . . . . . 1.069 ' C6 ' H141 ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 601' ' ' PCW . . . . . 0.957 H421 H461 ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 602' ' ' PCW . . . . . 1.032 H172 H212 ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 603' ' ' PCW . . . . . 1.041 ' H2 ' ' C4 ' ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 604' ' ' PCW . . . . . 1.04 H251 ' H76' ' C' ' 215' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 605' ' ' PCW . . . . . 1.125 ' O1P' ' H52' ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 606' ' ' PCW . . . . . 1.065 H182 H142 ' D' ' 606' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 607' ' ' PCW . . . . . 1.102 H431 H471 ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 608' ' ' PCW . . . . . 1.047 H452 ' H60' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 609' ' ' PCW . . . . . 0.89 H171 H141 ' D' ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 610' ' ' PCW . . . . . 1.091 ' H63' ' H6A' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 611' ' ' PCW . . . . . 1.0 H351 H222 ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 612' ' ' PCW . . . . . 1.101 ' C32' H352 ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 613' ' ' PCW . . . . . 1.032 H212 H172 ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 614' ' ' PCW . . . . . 1.125 ' H52' ' O1P' ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 615' ' ' PCW . . . . . 0.978 H262 H442 ' A' ' 401' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 616' ' ' PCW . . . . . 1.006 H141 ' H9A' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 617' ' ' PCW . . . . . 1.123 ' H19' H461 ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 618' ' ' PCW . . . . . 1.123 H461 ' H19' ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 619' ' ' PCW . . . . . 1.004 H361 H172 ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 620' ' ' PCW . . . . . 1.017 ' H39' H411 ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 621' ' ' PCW . . . . . 1.028 ' H41' ' H2 ' ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 622' ' ' PCW . . . . . 1.069 H141 ' C6 ' ' A' ' 422' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 623' ' ' PCW . . . . . 1.101 H352 ' C32' ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 624' ' ' PCW . . . . . 1.139 H481 ' H55' ' B' ' 209' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 625' ' ' PCW . . . . . 1.102 H471 H431 ' D' ' 607' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 626' ' ' PCW . . . . . 1.023 H282 H461 ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 627' ' ' PCW . . . . . 1.037 H381 H421 ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 628' ' ' 17F . . . . . 1.047 ' H60' H452 ' D' ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 629' ' ' 17F . . . . . 0.972 ' H46' ' C19' ' D' ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 630' ' ' 17F . . . . . 1.055 ' H57' H162 ' A' ' 421' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 631' ' ' 17F . . . . . 1.091 ' H6A' ' H63' ' D' ' 610' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 632' ' ' 17F . . . . . 1.006 ' H9A' H141 ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 201' ' ' GSP . . . . . 1.085 H5'2 ' HD1' ' B' ' 32' ' ' TYR . . . . . . . . 0 O4'--C1' 1.436 1.86 2 O4'-C1'-N19 112.911 4.711 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 202' ' ' ' MG' . . . . . 0.609 'MG ' ' O3G' ' B' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 203' ' ' PCW . . . . . 0.888 H222 ' C18' ' B' ' 209' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 204' ' ' PCW . . . . . 1.105 H211 ' H57' ' A' ' 416' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 205' ' ' PCW . . . . . 1.099 H172 ' H40' ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 206' ' ' PCW . . . . . 1.098 ' H31' ' C4 ' ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 207' ' ' PCW . . . . . 1.015 ' H19' H19A ' B' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 208' ' ' PCW . . . . . 1.031 H472 H432 ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 209' ' ' 17F . . . . . 1.139 ' H55' H481 ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 210' ' ' 17F . . . . . 1.038 ' H60' H441 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 211' ' ' 17F . . . . . 0.981 ' H30' H451 ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 201' ' ' GSP . . . . . 0.88 H5'2 ' CD1' ' C' ' 32' ' ' TYR . . . . . . . . 0 O4'--C1' 1.436 1.843 2 O4'-C1'-N19 112.5 4.3 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 202' ' ' ' MG' . . . . . 0.625 'MG ' ' O3G' ' C' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 203' ' ' PCW . . . . . 1.01 H132 H171 ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 204' ' ' PCW . . . . . 1.03 H461 H421 ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 205' ' ' PCW . . . . . 1.064 ' H2 ' ' H32' ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 206' ' ' PCW . . . . . 0.946 H171 H182 ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 207' ' ' PCW . . . . . 1.056 ' H19' ' H57' ' C' ' 213' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 208' ' ' PCW . . . . . 1.142 ' H42' ' H2 ' ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 209' ' ' PCW . . . . . 1.073 ' O11' ' H51' ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 210' ' ' PCW . . . . . 1.121 ' O31' H352 ' C' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 211' ' ' PCW . . . . . 1.022 ' H63' H321 ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 212' ' ' PCW . . . . . 1.082 H241 ' H20' ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 213' ' ' 17F . . . . . 1.056 ' H57' ' H19' ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 214' ' ' 17F . . . . . 1.059 ' H53' H262 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 215' ' ' 17F . . . . . 1.04 ' H76' H251 ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 216' ' ' PCW . . . . . 1.045 H442 H341 ' C' ' 217' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 217' ' ' PCW . . . . . 1.045 H341 H442 ' C' ' 216' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 218' ' ' 17F . . . . . 1.106 H18A ' O7 ' ' C' ' 218' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 219' ' ' 17F . . . . . 1.099 ' H39' ' H47' ' C' ' 218' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 55.4 mt . . . . . 0 N--CA 1.454 -0.252 0 CA-C-O 121.071 0.462 . . . . 10.0 110.275 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 18.2 tttm -64.53 -41.55 96.3 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.461 -0.791 . . . . 10.0 111.323 -179.424 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 96.4 mt -65.66 -29.0 69.51 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.903 0.334 . . . . 10.0 111.903 -179.2 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 45.8 mt -82.2 -50.9 8.48 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.51 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -63.32 -43.42 97.83 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.579 -0.737 . . . . 10.0 112.495 -179.055 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -69.95 -23.73 63.24 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.845 0.355 . . . . 10.0 111.409 -179.471 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 27.6 t90 -77.82 -26.3 49.46 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.212 0.53 . . . . 10.0 109.654 179.153 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -61.48 -28.8 69.55 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.427 -0.806 . . . . 10.0 110.9 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -74.2 -25.76 59.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.825 -0.625 . . . . 10.0 109.654 178.613 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 5.0 t -77.18 -46.42 28.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.153 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -59.39 -44.19 92.82 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.749 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 2.3 p -62.05 -42.59 99.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.801 0.334 . . . . 10.0 110.366 179.633 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 40.2 m -63.75 -39.45 94.3 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 109.693 -0.484 . . . . 10.0 109.693 178.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -62.12 -42.48 99.28 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 116.111 -0.495 . . . . 10.0 109.791 178.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 14.1 m -63.13 -44.89 94.3 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.956 -0.566 . . . . 10.0 110.128 179.18 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 45.1 mmtt -61.89 -43.27 99.18 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 115.946 -0.57 . . . . 10.0 109.849 178.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 217' ' ' LEU . . . . . 0.944 HD13 H222 ' A' ' 405' ' ' PCW . 21.0 mt -59.74 -43.23 94.34 Favored 'General case' 0 C--O 1.221 -0.408 0 CA-C-N 115.696 -0.684 . . . . 10.0 110.135 178.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 -65.44 -31.79 73.06 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.107 0.479 . . . . 10.0 110.918 179.077 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -69.37 -27.95 65.77 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 109.282 -0.636 . . . . 10.0 109.282 178.472 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -87.95 -34.98 17.91 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.448 -0.796 . . . . 10.0 109.756 179.28 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 221' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' A' ' 217' ' ' LEU . 30.6 mt -55.97 -36.49 67.9 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 115.749 -0.659 . . . . 10.0 111.747 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -54.42 -68.88 1.44 Allowed Glycine 0 C--N 1.335 0.504 0 N-CA-C 110.702 -0.959 . . . . 10.0 110.702 178.308 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -55.68 -39.92 88.3 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.514 2.143 . . . . 10.0 111.403 177.464 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 224' ' ' VAL . . . . . 0.426 ' O ' ' HB2' ' A' ' 228' ' ' PHE . 11.4 t -56.27 -54.02 32.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-N 116.564 -0.289 . . . . 10.0 111.669 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 11.7 p -64.77 -36.5 84.5 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.892 -0.323 . . . . 10.0 110.499 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -63.5 -51.0 67.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.639 179.206 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -66.86 -36.55 82.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.078 0.466 . . . . 10.0 110.231 179.556 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 228' ' ' PHE . . . . . 0.426 ' HB2' ' O ' ' A' ' 224' ' ' VAL . 3.4 t80 -66.66 -50.61 62.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.504 179.352 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -66.31 -34.77 78.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.056 -0.52 . . . . 10.0 111.079 179.637 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -61.43 -43.28 99.14 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.626 -0.509 . . . . 10.0 109.626 179.177 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 231' ' ' ASN . . . . . 0.618 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 85.6 m-20 -72.49 -35.58 68.21 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 115.731 -0.668 . . . . 10.0 110.106 178.64 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 41.5 mt -60.8 -38.59 85.88 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.378 -0.601 . . . . 10.0 109.378 178.583 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 233' ' ' GLU . . . . . 0.459 ' O ' ' HB2' ' A' ' 237' ' ' GLU . 6.7 mm-40 -65.14 -31.21 72.29 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.732 -0.667 . . . . 10.0 110.734 178.718 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 234' ' ' LYS . . . . . 0.618 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 74.4 mttt -72.29 -43.58 64.02 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.343 -0.614 . . . . 10.0 109.343 179.376 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 235' ' ' GLU . . . . . 0.505 ' HG3' ' ND2' ' D' ' 539' ' ' ASN . 43.7 mt-10 -63.95 -44.65 92.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.164 179.053 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 6.4 p -67.8 -40.18 83.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.709 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 237' ' ' GLU . . . . . 0.617 ' HA ' ' HD2' ' A' ' 240' ' ' ARG . 20.5 tt0 -59.96 -41.2 91.43 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 109.893 -0.41 . . . . 10.0 109.893 179.046 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -62.14 -45.18 96.59 Favored Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 110.186 -1.165 . . . . 10.0 110.186 177.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 239' ' ' LEU . . . . . 0.458 ' HA ' ' HB2' ' A' ' 242' ' ' GLU . 94.0 mt -65.95 -31.02 71.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.906 0.384 . . . . 10.0 110.491 179.137 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 240' ' ' ARG . . . . . 0.617 ' HD2' ' HA ' ' A' ' 237' ' ' GLU . 64.2 mtt180 -66.11 -38.93 89.42 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 109.601 -0.518 . . . . 10.0 109.601 178.818 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -74.81 -36.06 62.47 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.857 -0.794 . . . . 10.0 108.857 178.167 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 242' ' ' GLU . . . . . 0.458 ' HB2' ' HA ' ' A' ' 239' ' ' LEU . 21.3 mt-10 -65.04 -27.17 68.61 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.474 -0.785 . . . . 10.0 110.13 178.299 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 243' ' ' MET . . . . . 0.849 ' HG3' HD12 ' A' ' 247' ' ' LEU . 41.0 ttm -55.41 -34.2 64.18 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.362 179.208 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.99 -2.81 10.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.801 -0.636 . . . . 10.0 111.051 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 245' ' ' LYS . . . . . 0.775 ' HA ' ' HG3' ' A' ' 249' ' ' GLU . 58.0 mttm -130.55 -61.68 0.95 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.408 -0.36 . . . . 10.0 110.511 179.636 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 246' ' ' ASP . . . . . 0.673 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 20.6 t70 -54.75 -34.36 62.46 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.948 -178.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 247' ' ' LEU . . . . . 0.849 HD12 ' HG3' ' A' ' 243' ' ' MET . 96.3 mt -107.48 -44.04 4.39 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.454 -0.339 . . . . 10.0 111.837 -179.664 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -65.4 -42.04 93.0 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.651 0.612 . . . . 10.0 112.651 -179.613 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 249' ' ' GLU . . . . . 0.775 ' HG3' ' HA ' ' A' ' 245' ' ' LYS . 52.2 mt-10 -67.89 -36.86 80.97 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.793 -0.363 . . . . 10.0 110.229 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 250' ' ' VAL . . . . . 0.725 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 1.6 p -69.68 -20.84 23.98 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.388 0 CA-C-O 121.045 0.45 . . . . 10.0 110.439 179.434 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 23.0 mmtp -79.99 -42.5 23.76 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.077 -0.712 . . . . 10.0 109.077 178.049 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -73.11 -40.62 64.81 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.721 -0.672 . . . . 10.0 110.731 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -77.61 -19.67 55.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.077 -0.511 . . . . 10.0 111.675 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 254' ' ' VAL . . . . . 0.725 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.3 OUTLIER -61.25 -26.68 39.98 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.152 0 N-CA-C 109.989 -0.375 . . . . 10.0 109.989 179.466 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 255' ' ' GLN . . . . . 0.495 ' HB2' ' CD ' ' A' ' 256' ' ' PRO . 73.6 mt-30 -63.3 -66.25 1.64 Allowed Pre-proline 0 CA--C 1.536 0.413 0 CA-C-N 115.855 -0.612 . . . . 10.0 110.823 179.424 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 256' ' ' PRO . . . . . 0.495 ' CD ' ' HB2' ' A' ' 255' ' ' GLN . 19.2 Cg_endo -61.72 -32.53 86.57 Favored 'Trans proline' 0 C--N 1.357 1.014 0 C-N-CA 121.792 1.661 . . . . 10.0 111.849 179.494 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 5.3 m-30 -64.89 -53.63 43.47 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.451 -0.34 . . . . 10.0 110.649 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 64.3 mt -71.61 -36.3 70.75 Favored 'General case' 0 C--O 1.222 -0.393 0 CA-C-N 116.323 -0.399 . . . . 10.0 110.769 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -62.67 -42.23 99.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.686 0.279 . . . . 10.0 111.231 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -64.99 -44.74 88.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.037 0.446 . . . . 10.0 109.953 179.135 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -67.88 -42.4 81.29 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.655 -0.702 . . . . 10.0 110.794 179.106 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -62.56 -44.94 95.09 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.448 -0.342 . . . . 10.0 110.543 179.544 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 263' ' ' LYS . . . . . 0.473 ' O ' ' HG3' ' A' ' 267' ' ' GLU . 1.3 ttmp? -62.87 -44.41 96.18 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.742 -0.466 . . . . 10.0 109.742 179.513 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 264' ' ' LYS . . . . . 0.763 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 35.9 mttt -64.23 -38.47 91.16 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.792 -0.64 . . . . 10.0 109.974 178.734 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -66.15 -37.27 85.27 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.801 -0.636 . . . . 10.0 110.172 178.583 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -61.41 -44.97 96.22 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.857 -0.794 . . . . 10.0 108.857 178.014 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 267' ' ' GLU . . . . . 0.473 ' HG3' ' O ' ' A' ' 263' ' ' LYS . 52.8 mt-10 -64.93 -44.66 88.78 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.706 -0.679 . . . . 10.0 109.45 178.604 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -58.88 -51.31 70.56 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.745 -0.661 . . . . 10.0 110.966 179.293 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 28.8 mmm -62.42 -43.36 98.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.888 -0.597 . . . . 10.0 111.354 -179.373 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -63.64 -45.51 89.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.397 -0.365 . . . . 10.0 110.374 178.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 52.1 mt -61.87 -37.36 84.26 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-O 121.045 0.45 . . . . 10.0 110.163 178.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -64.93 -38.26 90.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 10.0 109.956 178.793 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 273' ' ' ARG . . . . . 0.619 ' HA ' HG12 ' A' ' 276' ' ' VAL . 78.7 mtt180 -70.7 -41.98 71.25 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.276 0.56 . . . . 10.0 110.07 179.134 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -64.63 -19.59 65.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.167 -0.924 . . . . 10.0 110.079 179.505 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 275' ' ' LYS . . . . . 0.687 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 12.8 mptt -98.35 -46.58 5.74 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.993 -0.548 . . . . 10.0 110.552 179.387 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 276' ' ' VAL . . . . . 0.619 HG12 ' HA ' ' A' ' 273' ' ' ARG . 3.9 p -54.93 -31.51 24.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 112.768 0.655 . . . . 10.0 112.768 -178.778 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -66.06 -63.88 2.84 Favored Pre-proline 0 CA--C 1.536 0.417 0 N-CA-C 111.641 0.237 . . . . 10.0 111.641 179.255 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -64.18 -36.13 48.64 Favored 'Trans proline' 0 C--N 1.356 0.931 0 C-N-CA 121.849 1.699 . . . . 10.0 112.435 178.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 279' ' ' LEU . . . . . 0.848 HD22 ' HE3' ' D' ' 495' ' ' LYS . 19.2 mt -63.18 -36.17 82.74 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-O 120.749 0.309 . . . . 10.0 110.202 179.684 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -64.81 -34.96 79.59 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 116.181 -0.463 . . . . 10.0 109.83 179.046 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -62.25 -47.14 85.68 Favored 'General case' 0 C--N 1.332 -0.168 0 O-C-N 123.279 0.362 . . . . 10.0 110.184 179.312 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -62.9 -39.9 95.91 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.7 -0.682 . . . . 10.0 110.19 179.353 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 84.6 mt -70.45 -38.86 74.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.922 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -67.92 -55.48 12.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.343 -0.389 . . . . 10.0 110.549 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -62.65 -38.21 89.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.923 -0.581 . . . . 10.0 110.92 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -66.18 -45.99 82.87 Favored Glycine 0 N--CA 1.444 -0.788 0 N-CA-C 111.093 -0.803 . . . . 10.0 111.093 178.6 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -61.43 -38.57 87.65 Favored 'General case' 0 CA--C 1.517 -0.318 0 N-CA-C 110.354 -0.239 . . . . 10.0 110.354 179.196 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 65.5 mtt180 -55.78 -50.03 71.56 Favored 'General case' 0 CA--C 1.52 -0.18 0 O-C-N 123.575 0.547 . . . . 10.0 110.411 179.11 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 4.2 tm0? -66.38 -45.53 79.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.965 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -60.46 -44.65 95.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.345 -0.389 . . . . 10.0 111.062 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 68.1 mt -65.15 -39.06 92.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 10.0 109.873 178.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -64.52 -44.45 90.86 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 115.893 -0.594 . . . . 10.0 109.767 178.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.73 -42.66 84.31 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 121.41 0.624 . . . . 10.0 109.619 178.855 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 95.6 mt -66.28 -43.92 85.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.53 -0.759 . . . . 10.0 110.123 178.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -63.13 -34.6 77.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.207 -0.451 . . . . 10.0 110.915 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -65.07 -11.53 40.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.934 -0.576 . . . . 10.0 110.924 179.48 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 297' ' ' LYS . . . . . 0.507 ' O ' ' HB2' ' A' ' 301' ' ' LEU . 29.2 mmtp -114.64 -38.55 3.97 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.321 178.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 298' ' ' LEU . . . . . 0.51 ' O ' ' HA3' ' A' ' 302' ' ' GLY . 61.4 mt -59.2 -28.59 66.79 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.72 0.637 . . . . 10.0 112.72 -179.409 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 299' ' ' SER . . . . . . . . . . . . . 20.1 m -84.21 -63.02 0.25 Allowed Pre-proline 0 CA--C 1.539 0.539 0 N-CA-C 112.853 0.686 . . . . 10.0 112.853 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 300' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -64.13 -50.02 3.25 Favored 'Trans proline' 0 C--N 1.355 0.883 0 C-N-CA 121.468 1.445 . . . . 10.0 111.834 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 301' ' ' LEU . . . . . 0.664 HD13 ' HG2' ' D' ' 473' ' ' LYS . 95.7 mt -72.77 -25.51 61.2 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.95 -0.389 . . . . 10.0 109.95 179.743 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 302' ' ' GLY . . . . . 0.51 ' HA3' ' O ' ' A' ' 298' ' ' LEU . . . -67.53 -46.75 66.94 Favored Glycine 0 N--CA 1.448 -0.546 0 N-CA-C 110.135 -1.186 . . . . 10.0 110.135 178.29 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -68.63 -34.19 75.31 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.633 -0.506 . . . . 10.0 109.633 178.08 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -65.66 -36.0 82.41 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.831 -0.803 . . . . 10.0 108.831 178.611 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 15.3 tpt -63.55 -41.09 98.45 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 108.803 -0.814 . . . . 10.0 108.803 178.154 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 306' ' ' ARG . . . . . 0.45 ' HG3' ' O ' ' A' ' 302' ' ' GLY . 72.4 mtt180 -68.53 -40.03 80.9 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.416 -0.811 . . . . 10.0 109.329 179.107 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -59.26 -45.18 91.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.419 -0.809 . . . . 10.0 109.633 178.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 308' ' ' ARG . . . . . 0.69 ' HG3' HD11 ' D' ' 469' ' ' LEU . 21.4 mmt180 -72.31 -33.14 67.15 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.495 -0.775 . . . . 10.0 110.354 178.742 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 309' ' ' ALA . . . . . 0.553 ' HA ' ' HB2' ' A' ' 312' ' ' HIS . . . -65.96 -32.65 74.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.063 -0.517 . . . . 10.0 109.721 178.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 310' ' ' ARG . . . . . 0.497 ' O ' ' HB2' ' A' ' 314' ' ' ASP . 97.1 mtt180 -58.75 -54.99 40.87 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 108.68 -0.859 . . . . 10.0 108.68 177.848 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -63.58 -38.39 90.93 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 115.762 -0.654 . . . . 10.0 109.997 179.222 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 312' ' ' HIS . . . . . 0.553 ' HB2' ' HA ' ' A' ' 309' ' ' ALA . 0.1 OUTLIER -52.55 -54.7 29.26 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 115.827 -0.624 . . . . 10.0 110.079 178.941 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 47.6 t -76.34 -36.93 30.45 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 CA-C-N 115.775 -0.648 . . . . 10.0 111.753 -179.368 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 314' ' ' ASP . . . . . 0.497 ' HB2' ' O ' ' A' ' 310' ' ' ARG . 0.4 OUTLIER -61.23 -46.5 90.13 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.842 0.353 . . . . 10.0 111.014 -179.661 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -65.35 -32.01 73.43 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.546 -0.539 . . . . 10.0 109.546 178.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 12.0 mt -67.69 -49.01 64.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.589 -0.732 . . . . 10.0 109.31 178.377 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 317' ' ' ARG . . . . . 0.438 HH11 ' HD2' ' A' ' 317' ' ' ARG . 35.2 ttm105 -60.58 -40.28 91.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.063 179.216 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 86.4 m -61.1 -30.38 70.32 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.489 -0.778 . . . . 10.0 110.729 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 27.5 m80 -91.25 -36.12 14.08 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.362 -0.381 . . . . 10.0 110.42 179.05 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 35.4 mt -63.58 -37.14 86.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.847 -0.615 . . . . 10.0 112.506 -179.55 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 321' ' ' ALA . . . . . 0.408 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -53.52 -60.07 7.95 Favored Pre-proline 0 CA--C 1.536 0.435 0 N-CA-C 111.829 0.307 . . . . 10.0 111.829 179.408 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 322' ' ' PRO . . . . . 0.408 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 31.7 Cg_endo -67.54 -32.88 30.38 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 121.631 1.554 . . . . 10.0 111.179 178.225 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 323' ' ' TYR . . . . . 0.518 ' O ' ' HB2' ' A' ' 327' ' ' LEU . 4.7 m-30 -61.29 -46.48 90.14 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-N 116.569 -0.287 . . . . 10.0 110.874 179.567 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 324' ' ' SER . . . . . 0.416 ' O ' ' HG3' ' A' ' 328' ' ' ARG . 12.8 p -71.74 -34.17 69.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.065 0.459 . . . . 10.0 109.924 179.327 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -60.5 -51.68 68.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.769 -0.65 . . . . 10.0 109.384 178.436 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -69.44 -27.96 65.7 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.892 -0.595 . . . . 10.0 109.816 178.622 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 327' ' ' LEU . . . . . 0.518 ' HB2' ' O ' ' A' ' 323' ' ' TYR . 0.5 OUTLIER -65.22 -38.37 90.18 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.341 -0.614 . . . . 10.0 109.341 178.541 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 328' ' ' ARG . . . . . 0.416 ' HG3' ' O ' ' A' ' 324' ' ' SER . 63.6 mtt180 -65.18 -35.77 82.11 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.369 -0.604 . . . . 10.0 109.369 178.343 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -67.58 -42.36 82.65 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 108.249 -1.019 . . . . 10.0 108.249 178.115 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 330' ' ' ARG . . . . . 0.651 HH21 ' HB3' ' D' ' 447' ' ' GLU . 22.3 mtt-85 -63.1 -46.37 87.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.311 -0.858 . . . . 10.0 110.071 179.127 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 89.3 mt -56.72 -43.31 80.47 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.646 -0.501 . . . . 10.0 109.646 179.038 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -65.24 -46.46 80.48 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.644 -0.707 . . . . 10.0 110.251 179.003 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -59.83 -42.71 94.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.953 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 334' ' ' ARG . . . . . 0.559 ' HD2' ' OE1' ' D' ' 440' ' ' GLU . 8.7 mmt180 -67.75 -48.48 66.29 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.038 179.462 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 56.1 mt -63.45 -39.3 94.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.86 -0.609 . . . . 10.0 112.275 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -60.15 -49.51 77.35 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 120.907 0.384 . . . . 10.0 110.266 179.143 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -65.48 -45.56 83.19 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.806 -0.634 . . . . 10.0 110.238 179.445 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 23.7 mt -64.23 -23.5 67.33 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.2 -0.454 . . . . 10.0 112.104 179.657 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -85.71 -47.95 9.3 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 122.058 -0.401 . . . . 10.0 110.7 179.193 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.01 -41.61 97.41 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.044 0.449 . . . . 10.0 109.875 179.454 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -75.95 -35.72 59.59 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.823 -0.806 . . . . 10.0 108.823 178.058 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -61.45 -44.38 98.09 Favored Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 115.648 -0.706 . . . . 10.0 111.544 179.193 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -61.75 -36.57 92.92 Favored Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 110.482 -1.047 . . . . 10.0 110.482 178.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -66.59 -43.81 83.87 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 109.322 -0.621 . . . . 10.0 109.322 178.616 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 345' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 345' ' ' ARG . 16.5 mtm180 -62.83 -44.07 97.12 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.27 179.1 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 346' ' ' LEU . . . . . 0.483 ' O ' ' HB2' ' A' ' 350' ' ' HIS . 56.1 mt -60.74 -43.37 98.02 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.791 179.479 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -66.87 -36.68 82.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.196 0.522 . . . . 10.0 109.863 178.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 348' ' ' GLU . . . . . 0.487 ' O ' ' HG3' ' A' ' 352' ' ' LYS . 8.1 mt-10 -66.38 -52.78 43.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.67 -0.695 . . . . 10.0 110.012 178.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -63.69 -29.54 70.76 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.035 -0.53 . . . . 10.0 111.012 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 350' ' ' HIS . . . . . 0.483 ' HB2' ' O ' ' A' ' 346' ' ' LEU . 0.3 OUTLIER -65.88 -44.3 85.72 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.39 -0.967 . . . . 10.0 108.39 178.102 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -67.78 -43.63 79.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.394 -0.821 . . . . 10.0 109.847 179.226 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 352' ' ' LYS . . . . . 0.487 ' HG3' ' O ' ' A' ' 348' ' ' GLU . 28.1 mttm -59.49 -42.23 91.67 Favored 'General case' 0 C--O 1.225 -0.201 0 CA-C-N 115.813 -0.631 . . . . 10.0 110.026 178.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -60.01 -41.12 91.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.857 -0.61 . . . . 10.0 110.016 178.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 7.8 m -63.39 -41.97 98.79 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.187 -0.46 . . . . 10.0 109.941 178.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -68.65 -33.17 73.53 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.546 179.266 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 10.3 m-70 -72.43 -32.04 65.99 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 109.148 -0.686 . . . . 10.0 109.148 178.303 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 33.2 mt -72.08 -38.49 69.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.017 -0.538 . . . . 10.0 111.211 179.559 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.19 -47.04 78.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.952 0.406 . . . . 10.0 110.079 179.162 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 7.5 p -69.47 -29.27 66.91 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.945 -0.571 . . . . 10.0 109.693 179.299 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 360' ' ' LEU . . . . . 0.469 ' HA ' ' HE3' ' A' ' 363' ' ' LYS . 51.6 tp -68.54 -32.98 73.31 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 108.788 -0.819 . . . . 10.0 108.788 178.132 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 50.9 m -65.72 -32.0 73.3 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.783 -0.644 . . . . 10.0 109.782 179.201 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -68.22 -19.56 64.76 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.694 0.759 . . . . 10.0 109.513 178.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 363' ' ' LYS . . . . . 0.729 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 51.7 mtmt -99.32 -32.28 11.26 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.487 -0.779 . . . . 10.0 110.018 178.828 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -75.44 -29.07 59.58 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.851 -0.613 . . . . 10.0 112.057 -179.575 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 365' ' ' LYS . . . . . 0.979 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 66.9 mttt -106.67 -73.44 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.436 0 N-CA-C 112.521 0.563 . . . . 10.0 112.521 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 366' ' ' PRO . . . . . 0.979 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 51.8 Cg_exo -58.31 -53.27 4.31 Favored 'Trans proline' 0 C--N 1.36 1.177 0 C-N-CA 122.22 1.947 . . . . 10.0 113.02 -179.531 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 367' ' ' ALA . . . . . 0.729 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -63.3 -50.21 70.96 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.242 0.46 . . . . 10.0 112.242 -179.582 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 368' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 368' ' ' LEU . 7.8 mt -61.0 -40.79 94.86 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.706 0.261 . . . . 10.0 111.706 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -66.81 -41.83 86.91 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.858 -0.423 . . . . 10.0 109.858 179.114 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -60.55 -45.79 92.57 Favored 'General case' 0 C--O 1.232 0.143 0 N-CA-C 109.197 -0.668 . . . . 10.0 109.197 178.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 91.7 mt -63.1 -40.91 99.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.563 -0.744 . . . . 10.0 109.955 178.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 86.0 mtt180 -61.63 -47.17 86.61 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.48 178.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 373' ' ' GLN . . . . . 0.468 ' HA ' HD12 ' A' ' 376' ' ' LEU . 84.8 mt-30 -64.75 -33.73 76.65 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.68 -0.691 . . . . 10.0 110.36 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -73.65 -34.2 57.06 Favored Glycine 0 N--CA 1.447 -0.581 0 N-CA-C 111.022 -0.831 . . . . 10.0 111.022 178.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 375' ' ' LEU . . . . . 0.496 ' O ' ' HG ' ' A' ' 379' ' ' LEU . 61.8 mt -70.55 -28.8 65.2 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 115.791 -0.204 . . . . 10.0 111.328 179.603 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 376' ' ' LEU . . . . . 0.468 HD12 ' HA ' ' A' ' 373' ' ' GLN . 77.8 mt -49.24 -62.56 2.31 Favored Pre-proline 0 CA--C 1.534 0.356 0 N-CA-C 112.352 0.501 . . . . 10.0 112.352 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 377' ' ' PRO . . . . . 0.446 ' HD3' ' HB2' ' A' ' 376' ' ' LEU . 54.7 Cg_endo -71.38 -25.91 21.08 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 121.575 1.516 . . . . 10.0 111.313 179.05 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 378' ' ' VAL . . . . . 0.467 ' HB ' ' HA ' ' A' ' 375' ' ' LEU . 4.3 t -63.04 -44.36 99.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 109.618 -0.512 . . . . 10.0 109.618 179.101 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 379' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 375' ' ' LEU . 67.8 mt -66.54 -32.59 74.03 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.381 -0.6 . . . . 10.0 109.381 178.81 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 380' ' ' GLU . . . . . 0.473 ' O ' HG23 ' A' ' 384' ' ' VAL . 40.3 mm-40 -63.59 -48.95 75.31 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.969 -0.56 . . . . 10.0 109.515 178.529 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.31 -32.62 73.39 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 110.033 -0.358 . . . . 10.0 110.033 178.64 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -66.75 -42.97 85.32 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-N 116.186 -0.461 . . . . 10.0 109.999 178.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 383' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 379' ' ' LEU . 87.7 mttt -61.32 -47.82 84.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.14 179.122 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 384' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 380' ' ' GLU . 56.1 t -59.06 -43.54 89.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.764 -0.653 . . . . 10.0 111.235 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 4.8 p -73.18 -40.93 64.41 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.164 0.431 . . . . 10.0 112.164 -179.432 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -64.54 -45.84 85.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.607 -0.27 . . . . 10.0 111.169 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 387' ' ' LEU . . . . . 0.467 ' O ' ' HG3' ' A' ' 391' ' ' GLU . 95.1 mt -60.71 -51.61 68.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.3 -0.409 . . . . 10.0 111.388 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 388' ' ' SER . . . . . 0.595 ' HB2' ' HE2' ' D' ' 594' ' ' LYS . 5.6 p -60.38 -40.67 91.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.299 -0.41 . . . . 10.0 111.098 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -61.07 -44.41 97.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.817 0.341 . . . . 10.0 110.532 179.316 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 74.0 mt -59.65 -41.15 89.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.481 . . . . 10.0 109.987 179.528 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 391' ' ' GLU . . . . . 0.467 ' HG3' ' O ' ' A' ' 387' ' ' LEU . 8.9 mt-10 -67.14 -41.16 86.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.103 -0.498 . . . . 10.0 109.884 179.032 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -57.67 -50.29 73.67 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 115.955 -0.566 . . . . 10.0 111.199 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -61.44 -44.28 97.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.747 -0.661 . . . . 10.0 110.759 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 50.7 m -65.41 -38.32 89.57 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.111 -0.495 . . . . 10.0 112.043 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 46.2 mtmt -66.79 -35.23 79.59 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.731 0.641 . . . . 10.0 112.731 -179.139 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 396' ' ' LYS . . . . . 0.559 ' HG2' ' HB2' ' D' ' 587' ' ' ALA . 0.6 OUTLIER -97.09 -44.58 6.91 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 113.934 1.087 . . . . 10.0 113.934 -177.898 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 83.1 mt -76.51 -23.73 53.72 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.667 0.618 . . . . 10.0 112.667 -178.622 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 45.3 t30 . . . . . 0 C--N 1.324 -0.536 0 CA-C-O 120.885 0.374 . . . . 10.0 111.291 -179.125 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 399' ' ' LEU . . . . . 0.422 HD13 ' HA ' ' D' ' 399' ' ' LEU . 3.9 mm? . . . . . 0 CA--C 1.522 -0.116 0 CA-C-O 121.202 0.525 . . . . 10.0 110.752 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.85 30.94 5.87 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.76 -0.655 . . . . 10.0 109.961 179.532 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 401' ' ' LEU . . . . . 0.424 ' HG ' ' H ' ' D' ' 401' ' ' LEU . 4.3 mt -58.69 -49.07 78.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.247 -0.888 . . . . 10.0 110.283 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 71.0 mt -64.05 -33.75 76.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.376 -0.829 . . . . 10.0 110.943 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.87 -51.25 63.03 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.94 -0.573 . . . . 10.0 109.611 179.36 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 404' ' ' ASN . . . . . 0.454 ' O ' HG23 ' D' ' 408' ' ' VAL . 27.6 t-20 -63.9 -40.74 97.22 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-O 120.979 0.419 . . . . 10.0 110.318 179.294 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 1.6 m95 -59.73 -39.13 83.68 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.099 178.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -60.98 -46.69 89.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.769 -0.65 . . . . 10.0 110.401 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 1.5 m -60.73 -44.83 96.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.745 -0.661 . . . . 10.0 110.194 179.14 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 408' ' ' VAL . . . . . 0.454 HG23 ' O ' ' D' ' 404' ' ' ASN . 62.9 t -64.05 -41.81 93.66 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.478 179.523 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 33.9 m -61.78 -38.26 87.38 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 109.656 -0.498 . . . . 10.0 109.656 178.594 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 35.4 m -64.64 -40.53 95.61 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 109.286 -0.635 . . . . 10.0 109.286 178.589 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 411' ' ' THR . . . . . 0.568 HG23 ' HD3' ' A' ' 363' ' ' LYS . 11.0 m -63.12 -43.69 97.7 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 109.693 -0.484 . . . . 10.0 109.693 178.324 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -60.48 -38.8 85.43 Favored 'General case' 0 C--O 1.232 0.155 0 N-CA-C 109.595 -0.521 . . . . 10.0 109.595 178.626 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 413' ' ' SER . . . . . 0.533 ' O ' ' HG3' ' D' ' 417' ' ' GLU . 36.5 m -63.69 -46.11 87.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.669 -0.696 . . . . 10.0 109.643 178.698 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 414' ' ' LYS . . . . . 0.488 ' HD3' ' HA ' ' D' ' 414' ' ' LYS . 37.2 mmtt -60.16 -35.02 74.41 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.378 179.239 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 75.0 mt -66.92 -40.7 87.71 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.033 178.563 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 61.3 mtt180 -66.71 -36.17 81.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.134 -0.484 . . . . 10.0 110.633 179.452 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 417' ' ' GLU . . . . . 0.533 ' HG3' ' O ' ' D' ' 413' ' ' SER . 44.9 mt-10 -66.17 -18.66 65.49 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 115.786 -0.643 . . . . 10.0 110.185 178.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -94.95 -50.39 5.13 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 115.716 -0.675 . . . . 10.0 109.481 178.109 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 78.8 mt -46.65 -43.82 17.89 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.523 -0.762 . . . . 10.0 112.305 -179.482 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -55.39 -72.04 0.63 Allowed Glycine 0 CA--C 1.519 0.302 0 C-N-CA 121.203 -0.522 . . . . 10.0 112.273 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 421' ' ' PRO . . . . . 0.538 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 52.8 Cg_exo -57.58 -39.07 91.22 Favored 'Trans proline' 0 CA--C 1.533 0.455 0 C-N-CA 122.783 2.322 . . . . 10.0 112.294 178.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 8.7 t -57.55 -50.44 77.21 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.32 0 N-CA-C 112.177 0.436 . . . . 10.0 112.177 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 8.1 p -63.74 -35.36 80.31 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.796 -0.361 . . . . 10.0 111.382 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -60.77 -54.04 50.0 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.88 -0.415 . . . . 10.0 109.88 179.114 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 425' ' ' GLU . . . . . 0.538 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 10.9 pt-20 -73.24 -28.78 62.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.046 -0.525 . . . . 10.0 111.586 -179.444 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 426' ' ' PHE . . . . . 0.411 ' O ' ' HG ' ' D' ' 430' ' ' LEU . 31.4 t80 -66.66 -43.91 83.28 Favored 'General case' 0 CA--C 1.519 -0.228 0 N-CA-C 109.375 -0.602 . . . . 10.0 109.375 178.811 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 427' ' ' TRP . . . . . 0.531 ' O ' ' HG3' ' D' ' 431' ' ' GLU . 23.2 m0 -65.4 -38.67 90.67 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 108.899 -0.778 . . . . 10.0 108.899 177.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -65.61 -35.38 80.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.453 -0.794 . . . . 10.0 109.597 178.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 24.0 t30 -70.92 -41.91 70.59 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 108.647 -0.872 . . . . 10.0 108.647 178.016 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 430' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' D' ' 426' ' ' PHE . 61.6 mt -59.17 -35.69 74.0 Favored 'General case' 0 C--O 1.218 -0.569 0 CA-C-N 115.073 -0.967 . . . . 10.0 110.593 179.638 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 431' ' ' GLU . . . . . 0.531 ' HG3' ' O ' ' D' ' 427' ' ' TRP . 46.5 mt-10 -62.89 -38.49 91.11 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.325 0.583 . . . . 10.0 109.978 178.563 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 49.2 mttp -68.26 -34.57 76.44 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.718 -0.674 . . . . 10.0 109.761 179.344 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -78.91 -44.36 22.83 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.762 -0.653 . . . . 10.0 111.637 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 20.5 p -62.83 -57.2 11.7 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 121.187 -0.205 . . . . 10.0 110.487 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 435' ' ' GLU . . . . . 0.546 ' O ' ' HG3' ' D' ' 439' ' ' GLN . 39.0 mm-40 -67.01 -37.23 83.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.32 -0.4 . . . . 10.0 111.242 179.666 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -61.96 -51.71 55.2 Favored Glycine 0 N--CA 1.451 -0.345 0 N-CA-C 111.101 -0.8 . . . . 10.0 111.101 179.169 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 92.8 mt -64.87 -24.76 67.63 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 110.143 -0.317 . . . . 10.0 110.143 178.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 68.3 mtt180 -72.4 -28.88 63.26 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 110.374 -0.232 . . . . 10.0 110.374 178.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 439' ' ' GLN . . . . . 0.546 ' HG3' ' O ' ' D' ' 435' ' ' GLU . 78.7 mt-30 -68.54 -29.77 68.41 Favored 'General case' 0 CA--C 1.519 -0.224 0 N-CA-C 108.399 -0.963 . . . . 10.0 108.399 178.071 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 440' ' ' GLU . . . . . 0.559 ' OE1' ' HD2' ' A' ' 334' ' ' ARG . 34.6 mt-10 -83.01 -46.98 12.21 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 114.563 -1.199 . . . . 10.0 109.253 178.493 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.17 -43.7 87.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.115 -0.948 . . . . 10.0 112.667 -179.174 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 3.6 p -57.61 -49.0 77.86 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.974 0.416 . . . . 10.0 110.931 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -68.25 -41.05 81.73 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.913 179.193 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 444' ' ' ASP . . . . . 0.671 ' O ' ' HB ' ' D' ' 448' ' ' VAL . 28.0 t0 -59.85 -47.02 87.43 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.743 -0.466 . . . . 10.0 109.743 179.374 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 445' ' ' LEU . . . . . 0.439 ' O ' HG12 ' D' ' 448' ' ' VAL . 92.0 mt -67.77 -50.55 56.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.131 -0.486 . . . . 10.0 111.821 179.649 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -58.06 -46.81 84.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.717 0.294 . . . . 10.0 111.348 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 447' ' ' GLU . . . . . 0.651 ' HB3' HH21 ' A' ' 330' ' ' ARG . 15.8 tt0 -72.28 -31.99 66.22 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.488 -0.324 . . . . 10.0 110.969 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 448' ' ' VAL . . . . . 0.671 ' HB ' ' O ' ' D' ' 444' ' ' ASP . 0.3 OUTLIER -65.82 -30.53 50.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 C-N-CA 120.58 -0.448 . . . . 10.0 109.837 179.223 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D ' 449' ' ' LYS . . . . . 0.494 ' O ' ' HG3' ' D' ' 453' ' ' GLN . 94.9 mttt -63.66 -39.11 93.52 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 108.835 -0.802 . . . . 10.0 108.835 178.151 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -88.94 9.5 24.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.68 -0.691 . . . . 10.0 110.734 179.44 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 451' ' ' LYS . . . . . 0.65 ' O ' ' HB2' ' D' ' 455' ' ' TYR . 54.6 mttm -115.83 -39.94 3.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 10.0 111.03 179.298 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 77.6 t -69.4 -39.26 78.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.557 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 453' ' ' GLN . . . . . 0.494 ' HG3' ' O ' ' D' ' 449' ' ' LYS . 69.4 mt-30 -58.68 -57.91 23.19 Favored Pre-proline 0 CA--C 1.534 0.362 0 N-CA-C 112.037 0.384 . . . . 10.0 112.037 179.533 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -63.99 -28.13 66.31 Favored 'Trans proline' 0 C--N 1.356 0.96 0 C-N-CA 121.757 1.638 . . . . 10.0 110.981 178.605 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 455' ' ' TYR . . . . . 0.65 ' HB2' ' O ' ' D' ' 451' ' ' LYS . 0.3 OUTLIER -66.58 -43.93 83.61 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 108.3 -1.0 . . . . 10.0 108.3 178.543 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 71.0 mt -67.5 -42.32 83.06 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-N 115.784 -0.644 . . . . 10.0 109.316 178.494 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -59.59 -52.88 63.65 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.835 179.337 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -62.56 -41.15 98.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.714 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 459' ' ' PHE . . . . . 0.47 ' HD2' ' HA ' ' D' ' 459' ' ' PHE . 0.8 OUTLIER -65.98 -44.74 84.02 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.111 179.157 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -59.41 -41.14 88.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.465 -0.334 . . . . 10.0 110.491 179.028 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 461' ' ' LYS . . . . . 0.551 ' O ' ' HG3' ' D' ' 465' ' ' GLU . 69.4 mttt -62.1 -41.09 97.85 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.54 -0.541 . . . . 10.0 109.54 178.455 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 462' ' ' LYS . . . . . 0.668 ' HB3' H283 ' D' ' 602' ' ' PCW . 1.3 mtmm -69.24 -41.61 76.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.472 -0.785 . . . . 10.0 110.372 178.758 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 463' ' ' TRP . . . . . 0.511 ' HE1' ' H77' ' D' ' 629' ' ' 17F . 33.1 m0 -65.03 -37.47 87.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.042 0.448 . . . . 10.0 109.835 178.726 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -62.05 -44.45 96.66 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.689 -0.856 . . . . 10.0 108.689 178.06 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 465' ' ' GLU . . . . . 0.629 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 48.4 mt-10 -57.84 -54.55 45.66 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 108.899 -0.778 . . . . 10.0 108.899 178.524 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -55.2 -49.58 71.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.792 -0.64 . . . . 10.0 111.584 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 71.7 mtm -62.67 -46.06 89.94 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 111.908 0.336 . . . . 10.0 111.908 -179.475 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -66.12 -33.66 76.28 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.855 0.359 . . . . 10.0 110.362 179.282 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 469' ' ' LEU . . . . . 0.69 HD11 ' HG3' ' A' ' 308' ' ' ARG . 31.5 mt -70.83 -38.39 73.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 10.0 109.806 178.701 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 7.1 m-30 -61.04 -36.89 80.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.227 0.536 . . . . 10.0 109.656 178.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 471' ' ' ARG . . . . . 0.722 ' HA ' ' HG3' ' D' ' 475' ' ' GLU . 65.1 mtt180 -76.52 -4.19 41.42 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.713 -0.676 . . . . 10.0 111.018 179.291 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -118.21 -3.77 11.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.975 0.417 . . . . 10.0 110.49 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 473' ' ' LYS . . . . . 0.664 ' HG2' HD13 ' A' ' 301' ' ' LEU . 44.3 mttp -127.42 -65.35 0.94 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.554 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 26.2 t -61.16 -41.16 88.37 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.31 0 CA-C-N 116.378 -0.374 . . . . 10.0 111.738 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 475' ' ' GLU . . . . . 0.722 ' HG3' ' HA ' ' D' ' 471' ' ' ARG . 7.5 mm-40 -62.11 -56.31 32.56 Favored Pre-proline 0 CA--C 1.535 0.385 0 N-CA-C 111.502 0.186 . . . . 10.0 111.502 179.118 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 476' ' ' PRO . . . . . 0.711 ' HD3' ' HB2' ' D' ' 475' ' ' GLU . 54.4 Cg_exo -59.52 -38.91 80.02 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 121.745 1.63 . . . . 10.0 110.514 177.346 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 38.2 mt -65.69 -27.18 68.16 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.167 178.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 478' ' ' ARG . . . . . 0.637 ' O ' ' HB2' ' D' ' 482' ' ' GLN . 16.4 mtt-85 -62.91 -36.88 84.84 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 108.435 -0.95 . . . . 10.0 108.435 178.053 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -76.32 -41.94 46.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.36 -0.836 . . . . 10.0 109.823 178.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.35 -44.04 97.86 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.347 0.594 . . . . 10.0 109.701 178.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 93.2 mt -74.39 -28.27 61.02 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.815 -0.629 . . . . 10.0 110.476 179.301 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 482' ' ' GLN . . . . . 0.637 ' HB2' ' O ' ' D' ' 478' ' ' ARG . 5.9 tt0 -68.94 -49.23 59.83 Favored 'General case' 0 CA--C 1.521 -0.162 0 N-CA-C 109.475 -0.565 . . . . 10.0 109.475 179.185 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.83 -41.03 96.06 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 109.401 -0.592 . . . . 10.0 109.401 178.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -63.77 -40.16 98.19 Favored Glycine 0 N--CA 1.449 -0.481 0 N-CA-C 111.007 -0.837 . . . . 10.0 111.007 178.499 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -68.9 -36.39 77.99 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 110.054 -0.35 . . . . 10.0 110.054 179.39 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 77.4 mtt180 -65.29 -45.97 82.27 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.12 -0.696 . . . . 10.0 109.12 178.476 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 487' ' ' GLN . . . . . 0.471 ' O ' ' HG3' ' D' ' 491' ' ' GLU . 4.7 mm-40 -64.41 -38.43 91.01 Favored 'General case' 0 C--O 1.224 -0.238 0 N-CA-C 108.805 -0.813 . . . . 10.0 108.805 178.029 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 54.2 tttt -63.35 -42.02 98.89 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.734 -0.666 . . . . 10.0 109.632 178.564 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 36.1 mt -66.44 -37.06 84.33 Favored 'General case' 0 C--O 1.224 -0.276 0 N-CA-C 109.238 -0.652 . . . . 10.0 109.238 178.448 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 -65.73 -42.68 90.75 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 108.948 -0.76 . . . . 10.0 108.948 178.505 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 491' ' ' GLU . . . . . 0.471 ' HG3' ' O ' ' D' ' 487' ' ' GLN . 84.9 mt-10 -57.09 -47.2 81.63 Favored 'General case' 0 CA--C 1.521 -0.173 0 N-CA-C 108.365 -0.976 . . . . 10.0 108.365 177.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 492' ' ' LEU . . . . . 0.418 ' O ' ' HG ' ' D' ' 496' ' ' LEU . 59.6 mt -64.15 -43.53 94.92 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 115.392 -0.822 . . . . 10.0 110.556 179.285 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -55.71 -37.51 68.48 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.968 0.413 . . . . 10.0 110.831 179.311 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -72.02 0.97 8.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.96 -0.564 . . . . 10.0 111.546 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 495' ' ' LYS . . . . . 0.848 ' HE3' HD22 ' A' ' 279' ' ' LEU . 9.8 mttp -125.66 -28.24 3.29 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.717 178.828 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 496' ' ' LEU . . . . . 0.519 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 73.9 mt -64.14 -37.9 89.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.008 -0.542 . . . . 10.0 111.357 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 497' ' ' SER . . . . . 0.76 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 1.8 m -81.9 -60.61 0.39 Allowed Pre-proline 0 C--N 1.32 -0.703 0 C-N-CA 120.731 -0.387 . . . . 10.0 111.065 178.646 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 498' ' ' PRO . . . . . 0.76 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 44.3 Cg_exo -59.37 -65.4 0.08 OUTLIER 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 122.305 2.004 . . . . 10.0 112.696 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 499' ' ' LEU . . . . . 0.425 ' HB2' ' O ' ' D' ' 495' ' ' LYS . 12.4 mt -66.61 -36.09 81.76 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.651 -0.249 . . . . 10.0 111.19 -179.417 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 500' ' ' GLY . . . . . 0.519 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -58.66 -53.71 43.87 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.84 -0.695 . . . . 10.0 111.785 179.389 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -69.25 -27.49 65.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.823 0.344 . . . . 10.0 110.545 179.261 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 502' ' ' GLU . . . . . 0.481 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 33.4 tt0 -67.64 -42.44 82.26 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 108.678 -0.86 . . . . 10.0 108.678 177.838 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 87.9 mmm -63.26 -37.2 86.31 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 109.29 -0.633 . . . . 10.0 109.29 178.533 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 504' ' ' ARG . . . . . 0.487 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 91.5 mtt180 -63.82 -41.44 97.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.791 -0.64 . . . . 10.0 109.541 178.311 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -63.86 -41.15 97.84 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.505 -0.554 . . . . 10.0 109.505 178.621 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 506' ' ' ARG . . . . . 0.481 ' HG3' ' O ' ' D' ' 502' ' ' GLU . 60.5 mtt180 -61.4 -42.64 99.05 Favored 'General case' 0 CA--C 1.52 -0.202 0 N-CA-C 108.303 -0.999 . . . . 10.0 108.303 177.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -59.82 -41.52 91.48 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.711 -0.677 . . . . 10.0 109.594 178.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 508' ' ' ARG . . . . . 0.487 ' HG3' ' O ' ' D' ' 504' ' ' ARG . 75.9 mtt180 -60.6 -44.86 95.79 Favored 'General case' 0 C--O 1.223 -0.313 0 N-CA-C 109.154 -0.684 . . . . 10.0 109.154 178.259 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 509' ' ' ALA . . . . . 0.763 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -63.29 -34.9 78.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.849 -0.614 . . . . 10.0 110.678 179.492 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 510' ' ' HIS . . . . . 0.517 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 29.5 m-70 -73.94 -49.88 22.61 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.706 179.208 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 511' ' ' VAL . . . . . 0.479 ' O ' ' HG3' ' D' ' 515' ' ' ARG . 91.6 t -63.24 -41.43 92.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.363 -0.38 . . . . 10.0 110.001 179.628 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 512' ' ' ASP . . . . . 0.403 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 34.6 t70 -61.62 -39.18 90.33 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 109.344 -0.613 . . . . 10.0 109.344 178.835 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -62.75 -46.78 86.46 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 108.604 -0.888 . . . . 10.0 108.604 178.526 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 514' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' D' ' 510' ' ' HIS . 89.1 mt -60.22 -27.27 67.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.613 -0.721 . . . . 10.0 110.994 179.511 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 515' ' ' ARG . . . . . 0.479 ' HG3' ' O ' ' D' ' 511' ' ' VAL . 74.6 mtt180 -68.06 -21.43 65.0 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.128 0.49 . . . . 10.0 110.534 178.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 4.4 m -111.22 -15.3 13.68 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.679 179.42 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -96.23 -39.62 9.58 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.026 -0.534 . . . . 10.0 111.221 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 88.6 mt -94.85 -54.98 3.26 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.508 0.558 . . . . 10.0 112.508 -178.483 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 519' ' ' ALA . . . . . 0.65 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -47.96 -59.78 5.29 Favored Pre-proline 0 N--CA 1.47 0.532 0 N-CA-C 114.02 1.118 . . . . 10.0 114.02 -178.556 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 520' ' ' PRO . . . . . 0.65 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 34.9 Cg_exo -63.54 -35.26 60.76 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 121.863 1.709 . . . . 10.0 111.478 179.423 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 521' ' ' TYR . . . . . 0.408 ' HA ' ' OE1' ' D' ' 524' ' ' GLU . 17.6 t80 -66.41 -38.16 86.83 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.498 -0.319 . . . . 10.0 110.265 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 20.7 m -62.01 -34.27 75.89 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.375 -0.602 . . . . 10.0 109.375 178.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.91 -41.23 87.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.788 -0.642 . . . . 10.0 109.64 179.002 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 524' ' ' GLU . . . . . 0.466 ' HG3' ' O ' ' D' ' 520' ' ' PRO . 31.2 mt-10 -68.83 -37.23 79.03 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.465 -0.788 . . . . 10.0 109.372 178.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 20.1 mt -63.6 -35.94 82.16 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.692 -0.685 . . . . 10.0 109.468 178.16 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 526' ' ' ARG . . . . . . . . . . . . . 76.7 mtt180 -62.69 -38.88 92.12 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-N 115.916 -0.584 . . . . 10.0 109.701 178.472 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -67.79 -42.92 80.89 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-N 116.114 -0.493 . . . . 10.0 109.699 179.27 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 528' ' ' ARG . . . . . 0.673 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 91.8 mtt180 -65.09 -44.46 88.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.635 -0.711 . . . . 10.0 109.279 179.016 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 529' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' D' ' 529' ' ' LEU . 17.9 mt -65.83 -31.14 71.94 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.504 178.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -64.56 -46.89 80.85 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.112 -0.699 . . . . 10.0 109.112 178.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -67.77 -40.85 83.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.794 -0.639 . . . . 10.0 109.575 178.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 532' ' ' ARG . . . . . 0.585 ' O ' ' HG ' ' D' ' 536' ' ' LEU . 22.3 ttm180 -60.67 -48.66 80.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.352 -0.84 . . . . 10.0 109.791 179.032 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 27.9 mt -65.8 -34.57 78.47 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.462 179.304 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -61.4 -46.09 91.58 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 108.853 -0.795 . . . . 10.0 108.853 178.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 535' ' ' ALA . . . . . 0.454 ' O ' ' HB2' ' D' ' 539' ' ' ASN . . . -65.4 -42.07 92.97 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.766 -0.652 . . . . 10.0 109.837 178.769 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 536' ' ' LEU . . . . . 0.585 ' HG ' ' O ' ' D' ' 532' ' ' ARG . 90.8 mt -65.63 -27.4 68.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.966 -0.561 . . . . 10.0 111.01 179.477 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -79.91 -45.91 17.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.44 -0.345 . . . . 10.0 110.141 178.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -63.13 -44.74 94.75 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.441 -0.577 . . . . 10.0 109.441 179.055 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 539' ' ' ASN . . . . . 0.505 ' ND2' ' HG3' ' A' ' 235' ' ' GLU . 1.8 m-20 -71.53 -31.26 66.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.352 -0.84 . . . . 10.0 109.2 178.304 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -65.2 -50.7 55.42 Favored Glycine 0 N--CA 1.446 -0.693 0 N-CA-C 111.092 -0.803 . . . . 10.0 111.092 179.31 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -63.18 -36.58 93.63 Favored Glycine 0 N--CA 1.445 -0.708 0 N-CA-C 110.98 -0.848 . . . . 10.0 110.98 178.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -65.03 -48.86 72.37 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 109.183 -0.673 . . . . 10.0 109.183 178.287 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 50.1 mtt85 -63.42 -37.97 89.34 Favored 'General case' 0 C--O 1.218 -0.585 0 CA-C-N 115.859 -0.61 . . . . 10.0 110.864 179.299 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 33.1 mt -59.49 -41.33 89.59 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 109.394 -0.595 . . . . 10.0 109.394 178.482 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -67.33 -41.12 85.77 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.172 -0.922 . . . . 10.0 109.218 178.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 546' ' ' GLU . . . . . 0.423 ' O ' ' HD2' ' D' ' 550' ' ' LYS . 28.7 mt-10 -64.49 -45.47 87.16 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 115.943 -0.571 . . . . 10.0 109.943 178.826 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -59.43 -44.65 92.87 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 115.934 -0.575 . . . . 10.0 109.618 178.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.73 -41.25 96.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.57 179.646 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 549' ' ' ALA . . . . . 0.43 ' O ' ' HG3' ' D' ' 553' ' ' GLU . . . -64.64 -51.1 64.35 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.624 -0.51 . . . . 10.0 109.624 178.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 550' ' ' LYS . . . . . 0.423 ' HD2' ' O ' ' D' ' 546' ' ' GLU . 0.1 OUTLIER -63.89 -31.4 72.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.854 179.698 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -66.25 -44.55 83.36 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.059 -0.719 . . . . 10.0 109.059 178.455 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 10.1 m -64.51 -43.42 94.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.857 -0.61 . . . . 10.0 109.575 178.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 553' ' ' GLU . . . . . 0.43 ' HG3' ' O ' ' D' ' 549' ' ' ALA . 47.1 mt-10 -62.74 -49.26 75.74 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.094 179.185 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 17.4 t60 -61.46 -39.47 90.99 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.119 179.289 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 61.4 tp -62.46 -36.9 83.92 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.664 -0.495 . . . . 10.0 109.664 178.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 35.3 m -66.38 -46.09 77.85 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.609 -0.723 . . . . 10.0 109.754 178.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 2.5 p -70.76 -25.51 62.94 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.017 0.437 . . . . 10.0 110.619 179.098 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 4.2 mt -67.27 -55.44 13.92 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 115.804 -0.635 . . . . 10.0 109.898 179.166 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 2.5 p -66.04 -35.99 82.04 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.255 -0.43 . . . . 10.0 110.626 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.41 -26.35 68.44 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.889 179.334 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 561' ' ' LYS . . . . . 0.769 ' HA ' ' HE3' ' D' ' 561' ' ' LYS . 0.1 OUTLIER -98.71 -42.87 7.03 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.213 -0.448 . . . . 10.0 111.253 179.704 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -56.91 -45.32 82.74 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.912 -0.586 . . . . 10.0 112.299 -179.472 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -53.3 -64.29 1.8 Allowed Pre-proline 0 CA--C 1.539 0.526 0 N-CA-C 112.908 0.707 . . . . 10.0 112.908 -179.657 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -64.14 -38.57 35.64 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 121.66 1.573 . . . . 10.0 112.145 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -61.92 -53.09 60.58 Favored 'General case' 0 CA--C 1.522 -0.121 0 CA-C-O 120.64 0.257 . . . . 10.0 111.5 -179.534 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 77.4 mt -63.25 -42.21 99.16 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.564 -0.289 . . . . 10.0 111.22 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -61.82 -47.9 83.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.502 -0.317 . . . . 10.0 110.243 178.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -65.32 -38.54 90.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.093 0.473 . . . . 10.0 110.236 179.661 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 18.8 mt -59.57 -48.78 80.31 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-N 115.71 -0.677 . . . . 10.0 110.059 178.544 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 56.6 mtt180 -64.08 -37.9 89.11 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.015 0.436 . . . . 10.0 109.966 179.178 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -66.54 -14.08 61.84 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.598 -0.728 . . . . 10.0 110.491 178.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 572' ' ' GLY . . . . . 0.529 ' O ' ' HB ' ' D' ' 576' ' ' VAL . . . -105.83 -31.97 4.01 Favored Glycine 0 N--CA 1.444 -0.827 0 N-CA-C 110.696 -0.961 . . . . 10.0 110.696 178.577 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 65.6 mt -64.06 -45.23 89.71 Favored 'General case' 0 C--O 1.225 -0.214 0 C-N-CA 122.571 0.348 . . . . 10.0 111.562 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 46.1 mt -56.54 -59.77 11.21 Favored Pre-proline 0 CA--C 1.536 0.437 0 N-CA-C 112.044 0.386 . . . . 10.0 112.044 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -63.39 -34.52 65.84 Favored 'Trans proline' 0 C--N 1.356 0.956 0 C-N-CA 121.751 1.634 . . . . 10.0 112.045 178.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 576' ' ' VAL . . . . . 0.529 ' HB ' ' O ' ' D' ' 572' ' ' GLY . 0.3 OUTLIER -66.58 -36.89 78.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.707 0.289 . . . . 10.0 110.491 179.463 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 52.0 mt -66.85 -40.08 87.79 Favored 'General case' 0 CA--C 1.521 -0.146 0 N-CA-C 109.444 -0.576 . . . . 10.0 109.444 178.615 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -65.64 -37.74 87.41 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.935 -0.575 . . . . 10.0 109.811 178.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 46.6 m -68.81 -39.73 79.91 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.756 -0.656 . . . . 10.0 109.52 178.493 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -64.89 -40.71 95.53 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.145 178.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -56.68 -45.34 81.8 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.513 179.452 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 90.8 t -60.51 -49.7 83.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.362 -0.381 . . . . 10.0 111.119 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 1.3 p -66.32 -42.22 88.54 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.637 -0.256 . . . . 10.0 111.624 -179.505 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -65.29 -46.5 80.18 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.871 0.323 . . . . 10.0 111.871 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 67.2 mt -62.8 -42.79 99.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.585 -0.28 . . . . 10.0 110.508 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 16.2 m -67.25 -30.86 70.87 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.179 0.514 . . . . 10.0 110.196 179.138 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 587' ' ' ALA . . . . . 0.559 ' HB2' ' HG2' ' A' ' 396' ' ' LYS . . . -72.27 -57.31 4.32 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.468 179.491 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 588' ' ' LEU . . . . . 0.615 HD22 ' H50' ' D' ' 630' ' ' 17F . 87.9 mt -59.42 -41.38 89.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.124 -0.489 . . . . 10.0 111.905 -179.239 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -60.84 -47.96 83.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.91 0.385 . . . . 10.0 110.303 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -68.95 -32.36 71.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.374 -0.376 . . . . 10.0 110.731 179.188 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -62.95 -36.99 85.3 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.704 -0.48 . . . . 10.0 109.704 178.347 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 592' ' ' THR . . . . . 0.443 ' O ' ' HB2' ' D' ' 596' ' ' ASN . 7.0 m -66.07 -24.65 66.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.978 -0.556 . . . . 10.0 110.823 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -81.66 -40.37 22.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.164 179.615 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 594' ' ' LYS . . . . . 0.595 ' HE2' ' HB2' ' A' ' 388' ' ' SER . 10.8 mptt -73.21 -40.16 64.95 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.646 -0.706 . . . . 10.0 110.755 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 57.9 mt -93.37 36.93 1.05 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.264 -0.426 . . . . 10.0 110.561 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 596' ' ' ASN . . . . . 0.443 ' HB2' ' O ' ' D' ' 592' ' ' THR . 3.1 t-20 . . . . . 0 C--N 1.323 -0.569 0 CA-C-N 116.397 -0.365 . . . . 10.0 111.331 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 1' ' ' SER . . . . . 0.401 ' HA ' ' O ' ' B' ' 50' ' ' THR . 0.3 OUTLIER . . . . . 0 CA--C 1.535 0.372 0 CA-C-O 120.925 0.393 . . . . 10.0 111.299 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 2' ' ' THR . . . . . 0.403 ' HB ' ' CE2' ' B' ' 4' ' ' TYR . 2.1 m -77.43 142.48 39.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.857 -179.493 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -93.23 139.05 31.04 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.321 -0.399 . . . . 10.0 109.983 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' TYR . . . . . 0.403 ' CE2' ' HB ' ' B' ' 2' ' ' THR . 96.9 m-85 -130.7 111.03 11.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.76 0.314 . . . . 10.0 111.332 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.753 ' HA ' ' HB3' ' B' ' 54' ' ' ASP . 60.6 mttm -79.79 110.64 15.33 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.478 -179.743 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.403 ' O ' ' HA ' ' B' ' 55' ' ' ILE . 0.4 OUTLIER -112.65 116.4 30.09 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.867 -178.724 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 7' ' ' VAL . . . . . 0.59 HG11 ' CD2' ' B' ' 71' ' ' TYR . 22.8 t -102.36 129.79 53.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.486 -0.325 . . . . 10.0 110.204 179.563 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.628 HG12 ' HD2' ' B' ' 16' ' ' LYS . 14.9 t -92.77 116.48 34.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 120.927 0.394 . . . . 10.0 111.248 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 11.3 m -111.97 149.95 14.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.878 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 150.14 163.33 11.09 Favored Glycine 0 N--CA 1.444 -0.827 0 N-CA-C 110.757 -0.937 . . . . 10.0 110.757 -179.615 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.14 155.97 39.48 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.914 0.387 . . . . 10.0 111.178 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.1 135.06 41.19 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.084 0.468 . . . . 10.0 110.619 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 13' ' ' GLY . . . . . 0.874 ' HA2' H5'1 ' B' ' 201' ' ' GSP . . . 114.73 -20.27 15.27 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.522 -0.847 . . . . 10.0 111.791 -179.36 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 10.7 m -73.3 -16.21 17.4 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 CA-C-O 120.803 0.335 . . . . 10.0 111.665 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' GLY . . . . . 0.991 ' HA3' ' H8 ' ' B' ' 201' ' ' GSP . . . 91.54 42.7 4.76 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.822 -0.704 . . . . 10.0 113.561 179.205 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.628 ' HD2' HG12 ' B' ' 8' ' ' VAL . 46.3 mtmt -66.2 -39.66 89.83 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.868 -0.419 . . . . 10.0 109.868 179.469 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 17' ' ' SER . . . . . 0.412 ' OG ' ' O2B' ' B' ' 201' ' ' GSP . 6.3 m -76.27 -34.57 59.12 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.242 -0.436 . . . . 10.0 110.906 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 18' ' ' ALA . . . . . 0.591 ' HB2' " H2'" ' B' ' 201' ' ' GSP . . . -57.49 -42.43 82.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.29 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.718 HD23 ' HB2' ' B' ' 146' ' ' ALA . 30.3 mt -64.01 -46.39 84.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.666 -0.697 . . . . 10.0 110.534 179.24 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 3.0 m -63.54 -44.15 95.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.016 -0.538 . . . . 10.0 111.469 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 97.8 mt -62.62 -37.07 78.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.965 0.412 . . . . 10.0 110.566 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' GLN . . . . . 0.614 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 1.5 mm-40 -68.02 -26.0 65.67 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.251 0.548 . . . . 10.0 110.481 178.786 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 36.5 tp -88.63 -38.93 14.43 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.077 -0.511 . . . . 10.0 111.474 -179.627 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.403 HD11 HD12 ' B' ' 55' ' ' ILE . 46.2 mm -84.23 -61.1 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 112.137 0.421 . . . . 10.0 112.137 -178.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -82.41 -14.56 54.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.72 0.295 . . . . 10.0 111.697 -179.074 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' ASN . . . . . 0.614 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 32.4 m-80 70.91 30.1 2.9 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 113.355 0.872 . . . . 10.0 113.355 178.397 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 35.4 p80 -149.76 160.92 43.16 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.878 0.371 . . . . 10.0 111.803 178.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' PHE . . . . . 0.5 ' HZ ' ' C4 ' ' B' ' 201' ' ' GSP . 61.5 t80 -97.26 142.97 28.5 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.833 -0.621 . . . . 10.0 110.673 -179.598 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 12.8 m -114.24 137.09 48.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 120.866 0.365 . . . . 10.0 110.914 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -90.26 -26.63 19.95 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.004 -0.543 . . . . 10.0 109.835 179.276 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -75.46 118.14 18.01 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.614 -0.721 . . . . 10.0 111.496 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' TYR . . . . . 0.832 ' CD1' H5'2 ' B' ' 201' ' ' GSP . 28.7 t80 -73.89 134.23 43.22 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.817 -0.438 . . . . 10.0 109.817 179.273 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 33' ' ' ASP . . . . . 0.454 ' HA ' ' HD3' ' B' ' 34' ' ' PRO . 34.8 t70 -127.42 120.92 22.24 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-O 120.928 0.394 . . . . 10.0 111.132 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 34' ' ' PRO . . . . . 0.65 ' HA ' ' S1G' ' B' ' 201' ' ' GSP . 2.9 Cg_exo -76.83 72.35 5.78 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 123.105 2.537 . . . . 10.0 112.156 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.21 128.88 38.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.112 -0.495 . . . . 10.0 111.577 179.774 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.84 ' HA ' ' HB2' ' B' ' 59' ' ' ALA . 50.4 mm -91.35 -44.59 14.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.586 -0.524 . . . . 10.0 109.586 179.305 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 37' ' ' GLU . . . . . 0.463 ' HA ' ' O ' ' B' ' 57' ' ' ASP . 38.8 tt0 -168.21 107.38 0.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.751 -0.659 . . . . 10.0 110.666 179.748 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -133.95 137.36 44.81 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.305 -0.407 . . . . 10.0 110.186 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 8.5 p -110.83 143.53 41.25 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.194 0.521 . . . . 10.0 111.421 -179.598 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -135.97 141.54 44.44 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.457 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -113.38 140.45 48.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.816 0.341 . . . . 10.0 111.331 -179.729 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 42' ' ' LYS . . . . . 0.497 ' HB3' HD12 ' B' ' 53' ' ' LEU . 53.8 tttp -147.14 134.66 20.89 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.325 179.333 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -112.5 111.91 23.08 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.869 -0.419 . . . . 10.0 109.869 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 2.9 m -132.65 161.09 42.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.123 -0.489 . . . . 10.0 111.166 -179.193 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 27.9 t -96.36 103.87 15.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.036 179.417 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 39.8 mt -112.15 121.15 64.02 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 N-CA-C 109.469 -0.567 . . . . 10.0 109.469 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' ASP . . . . . 0.546 ' HA ' ' HB3' ' C' ' 128' ' ' LYS . 33.0 m-20 62.11 16.52 8.33 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.184 0.516 . . . . 10.0 111.794 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 100.39 -6.96 57.95 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.912 -0.661 . . . . 10.0 112.265 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -102.84 130.7 49.94 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.79 0.329 . . . . 10.0 110.46 -179.62 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 50' ' ' THR . . . . . 0.401 ' O ' ' HA ' ' B' ' 1' ' ' SER . 0.2 OUTLIER -83.46 68.98 9.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.445 179.33 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 4.3 m -69.49 149.87 47.81 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.706 -0.679 . . . . 10.0 112.552 -178.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 45.0 tp -105.1 114.08 28.05 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.416 -0.811 . . . . 10.0 109.033 178.654 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' LEU . . . . . 0.497 HD12 ' HB3' ' B' ' 42' ' ' LYS . 25.6 mt -83.2 126.92 33.15 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.113 -0.494 . . . . 10.0 111.691 -178.574 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 54' ' ' ASP . . . . . 0.753 ' HB3' ' HA ' ' B' ' 5' ' ' LYS . 6.7 t70 -113.64 79.4 1.24 Allowed 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 107.98 -1.118 . . . . 10.0 107.98 178.629 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 55' ' ' ILE . . . . . 0.403 ' HA ' ' O ' ' B' ' 6' ' ' LEU . 3.8 mt -80.99 148.24 5.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.919 -0.582 . . . . 10.0 111.949 -177.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 18.4 tp -145.57 118.27 8.64 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.899 -0.591 . . . . 10.0 110.927 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 57' ' ' ASP . . . . . 0.463 ' O ' ' HA ' ' B' ' 37' ' ' GLU . 32.9 t70 -91.69 125.46 36.42 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 109.335 -0.617 . . . . 10.0 109.335 178.77 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 26.0 p -108.09 151.88 25.28 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.476 -0.329 . . . . 10.0 111.199 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' ALA . . . . . 0.84 ' HB2' ' HA ' ' B' ' 36' ' ' ILE . . . -71.27 110.35 5.86 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.536 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -91.69 44.93 2.72 Favored Glycine 0 N--CA 1.453 -0.211 0 N-CA-C 111.597 -0.601 . . . . 10.0 111.597 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -106.0 28.21 7.83 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.431 -0.385 . . . . 10.0 110.371 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.428 ' HG3' ' H ' ' B' ' 63' ' ' GLU . 2.8 tp10 66.61 -175.06 0.19 Allowed 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.761 -0.654 . . . . 10.0 111.29 -179.299 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.428 ' H ' ' HG3' ' B' ' 62' ' ' GLU . 1.8 tm-20 60.84 -149.13 0.42 Allowed 'General case' 0 C--O 1.234 0.284 0 N-CA-C 109.344 -0.613 . . . . 10.0 109.344 -178.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 53.28 40.89 31.98 Favored 'General case' 0 C--O 1.234 0.273 0 O-C-N 123.112 0.258 . . . . 10.0 111.496 179.633 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.6 -43.1 79.8 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 115.948 -0.569 . . . . 10.0 111.564 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.77 -39.84 63.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.807 0.337 . . . . 10.0 110.526 179.631 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -46.01 92.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.121 -0.491 . . . . 10.0 110.8 179.749 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 68' ' ' ARG . . . . . 0.775 ' HA ' ' CE1' ' B' ' 71' ' ' TYR . 12.5 mtp180 -62.65 -41.73 99.21 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 115.6 -0.727 . . . . 10.0 111.057 179.72 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.9 -13.26 59.33 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.9 -0.591 . . . . 10.0 112.218 -179.591 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -93.28 -60.39 1.8 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 111.853 0.316 . . . . 10.0 111.853 -179.539 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 71' ' ' TYR . . . . . 0.775 ' CE1' ' HA ' ' B' ' 68' ' ' ARG . 5.5 p90 -60.29 -25.84 66.04 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 113.328 0.862 . . . . 10.0 113.328 -178.06 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 72' ' ' MET . . . . . 0.491 ' HA ' ' HZ ' ' B' ' 78' ' ' PHE . 43.7 mtt -68.87 -28.96 67.17 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.036 0.446 . . . . 10.0 111.659 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 73' ' ' ARG . . . . . 0.538 ' HG3' HG12 ' B' ' 103' ' ' VAL . 14.7 mtm180 -76.78 -32.01 57.41 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 116.514 -0.312 . . . . 10.0 110.993 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.07 -29.68 26.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.956 0.407 . . . . 10.0 110.877 179.595 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.29 128.18 35.9 Favored Glycine 0 C--N 1.334 0.422 0 CA-C-N 115.791 -0.641 . . . . 10.0 112.858 -179.353 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -95.71 -29.23 14.39 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.569 -0.53 . . . . 10.0 109.569 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 77' ' ' GLY . . . . . 0.442 ' HA3' HD11 ' B' ' 163' ' ' ILE . . . -135.69 142.02 13.27 Favored Glycine 0 N--CA 1.448 -0.534 0 N-CA-C 110.216 -1.154 . . . . 10.0 110.216 178.739 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 78' ' ' PHE . . . . . 0.576 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 93.3 m-85 -122.54 132.15 54.18 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 117.535 0.668 . . . . 10.0 112.096 -179.161 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 19.0 tp -99.46 94.07 6.22 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.309 -0.86 . . . . 10.0 109.732 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 3.0 m -79.11 101.81 8.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.933 -0.576 . . . . 10.0 109.721 179.284 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 44.0 t -113.96 134.17 57.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.914 -0.585 . . . . 10.0 111.541 -179.295 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 82' ' ' PHE . . . . . 0.607 ' HE2' ' HE1' ' B' ' 141' ' ' PHE . 25.7 p90 -134.66 167.65 20.43 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 115.487 -0.778 . . . . 10.0 109.318 178.635 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.607 ' HB3' ' HB3' ' B' ' 86' ' ' ASN . . . -105.93 128.41 53.78 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.313 -0.403 . . . . 10.0 109.96 179.526 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 84' ' ' ILE . . . . . 0.475 ' CD1' ' HA ' ' B' ' 118' ' ' CYS . 33.8 pt -68.03 -14.08 17.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.868 -179.65 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 19.8 p-10 -101.97 3.24 38.75 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.321 179.157 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.607 ' HB3' ' HB3' ' B' ' 83' ' ' ALA . 27.0 t-20 -131.27 96.36 4.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.252 -0.431 . . . . 10.0 110.179 -179.731 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 87' ' ' THR . . . . . 0.438 ' O ' ' HG3' ' B' ' 91' ' ' GLU . 0.2 OUTLIER -58.5 -31.59 68.01 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.852 -0.613 . . . . 10.0 112.501 -179.233 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -57.92 -48.11 80.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 10.0 111.792 -179.529 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 89' ' ' SER . . . . . 0.441 ' O ' HG12 ' B' ' 93' ' ' ILE . 78.9 p -62.44 -33.84 75.62 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.639 0.257 . . . . 10.0 111.687 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -65.34 -39.73 92.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.152 0.501 . . . . 10.0 110.238 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.438 ' HG3' ' O ' ' B' ' 87' ' ' THR . 37.4 mt-10 -75.72 -33.4 60.3 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.431 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.45 -22.39 66.95 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.153 179.658 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 93' ' ' ILE . . . . . 0.441 HG12 ' O ' ' B' ' 89' ' ' SER . 25.4 mm -58.03 -36.28 55.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.096 -0.502 . . . . 10.0 109.721 178.446 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 28.8 t60 -64.46 -41.03 96.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.443 -0.799 . . . . 10.0 110.208 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 64.4 m-70 -66.52 -41.03 89.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.838 -179.598 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -66.06 -46.08 79.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.016 -0.538 . . . . 10.0 111.356 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 26.6 ttt180 -56.52 -48.11 77.93 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.012 -0.54 . . . . 10.0 111.944 -179.051 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -65.68 -39.18 91.04 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.195 -0.457 . . . . 10.0 111.378 -179.51 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 99' ' ' GLN . . . . . 0.465 ' O ' HG23 ' B' ' 103' ' ' VAL . 61.7 tt0 -65.63 -49.47 68.56 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.997 -0.281 . . . . 10.0 110.883 179.518 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 96.8 mt -54.95 -47.05 76.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-O 121.098 0.475 . . . . 10.0 111.319 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 101' ' ' LYS . . . . . 0.417 ' HB2' ' HE3' ' B' ' 101' ' ' LYS . 19.1 mtmt -64.51 -37.06 86.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.772 -0.649 . . . . 10.0 111.474 -179.568 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? -71.81 -39.06 70.08 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.277 -0.42 . . . . 10.0 111.061 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 103' ' ' VAL . . . . . 0.538 HG12 ' HG3' ' B' ' 73' ' ' ARG . 69.1 t -66.92 -47.74 81.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.999 -0.546 . . . . 10.0 111.347 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -83.17 -12.53 56.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.626 -0.261 . . . . 10.0 111.523 -179.144 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 25.9 t0 57.79 57.29 4.27 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.642 0.734 . . . . 10.0 110.457 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 6.1 t -156.74 179.1 9.61 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.492 -0.776 . . . . 10.0 110.123 -179.43 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -131.26 -34.69 1.4 Allowed 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.856 0.36 . . . . 10.0 111.156 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -85.89 57.42 4.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.247 0.546 . . . . 10.0 111.55 -179.214 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 46.7 t -94.89 119.9 65.31 Favored Pre-proline 0 C--N 1.323 -0.552 0 N-CA-C 109.583 -0.525 . . . . 10.0 109.583 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 110' ' ' PRO . . . . . 0.739 ' HB3' ' HB3' ' B' ' 162' ' ' GLU . 35.9 Cg_exo -61.95 114.93 2.51 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 123.339 2.693 . . . . 10.0 112.469 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 111' ' ' MET . . . . . 0.576 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 55.4 mtm -148.34 154.7 40.33 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.983 -0.553 . . . . 10.0 109.939 -179.314 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 112' ' ' VAL . . . . . 0.534 HG13 ' HG2' ' B' ' 140' ' ' PRO . 47.8 t -133.63 139.87 47.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.714 -0.476 . . . . 10.0 109.714 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 113' ' ' LEU . . . . . 0.411 ' O ' ' HA ' ' B' ' 141' ' ' PHE . 24.8 tp -95.83 120.82 36.77 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.252 -0.647 . . . . 10.0 109.252 179.52 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 2.3 t -124.49 138.4 54.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 120.828 0.347 . . . . 10.0 111.269 -179.162 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -106.96 135.78 12.96 Favored Glycine 0 N--CA 1.449 -0.442 0 N-CA-C 110.877 -0.889 . . . . 10.0 110.877 179.059 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -111.25 161.66 15.78 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 117.185 0.493 . . . . 10.0 110.667 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 117' ' ' LYS . . . . . 0.592 ' HE2' ' C8 ' ' B' ' 201' ' ' GSP . 80.5 mttt 63.13 34.85 13.29 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.033 -0.53 . . . . 10.0 111.23 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 118' ' ' CYS . . . . . 0.475 ' HA ' ' CD1' ' B' ' 84' ' ' ILE . 71.2 m -74.13 0.1 14.96 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.195 -0.457 . . . . 10.0 111.524 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -95.83 -2.47 47.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.087 179.06 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 21.2 mt -80.52 131.49 61.27 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 115.838 -0.619 . . . . 10.0 110.772 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -69.69 149.28 67.11 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.369 2.046 . . . . 10.0 111.47 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 2.6 m 61.41 80.81 0.21 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.234 0.54 . . . . 10.0 111.79 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 123' ' ' ARG . . . . . 0.458 ' HD3' ' O ' ' B' ' 125' ' ' VAL . 5.0 ptp180 -88.09 153.26 21.41 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.767 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 13.1 m -95.0 -39.75 10.01 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.154 -0.476 . . . . 10.0 110.42 179.176 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 125' ' ' VAL . . . . . 0.458 ' O ' ' HD3' ' B' ' 123' ' ' ARG . 60.8 t -98.68 120.03 47.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.384 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.03 154.72 29.24 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.057 -0.52 . . . . 10.0 110.694 179.556 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -62.24 -39.8 94.06 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.165 -0.47 . . . . 10.0 112.249 -178.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 128' ' ' LYS . . . . . 0.946 ' HB3' ' HA ' ' C' ' 47' ' ' ASP . 4.0 mptt -59.18 -56.44 22.13 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.422 -179.408 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -60.09 -37.96 81.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.662 0.268 . . . . 10.0 111.656 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.59 -44.16 74.96 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.092 0.473 . . . . 10.0 110.517 179.277 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 131' ' ' GLN . . . . . 0.415 ' HG3' ' CD2' ' B' ' 141' ' ' PHE . 57.3 mt-30 -70.98 -35.52 72.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.974 -0.557 . . . . 10.0 111.456 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -62.43 -44.56 96.12 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.328 0.585 . . . . 10.0 109.708 178.627 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 13.2 tp -60.11 -49.53 77.27 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.517 -0.765 . . . . 10.0 109.66 178.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.78 -39.81 95.16 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.794 179.56 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -38.81 90.9 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.977 -0.556 . . . . 10.0 110.881 179.795 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 15.5 m -69.67 -20.36 63.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.057 -0.52 . . . . 10.0 110.786 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 21.0 m-30 -89.73 -26.03 20.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.024 179.257 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 95.14 21.47 25.13 Favored Glycine 0 N--CA 1.448 -0.554 0 CA-C-N 115.534 -0.757 . . . . 10.0 111.786 -179.601 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 44.8 pt -120.46 153.84 56.4 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-O 120.482 0.182 . . . . 10.0 110.762 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 140' ' ' PRO . . . . . 0.534 ' HG2' HG13 ' B' ' 112' ' ' VAL . 92.0 Cg_endo -80.92 159.6 21.1 Favored 'Trans proline' 0 C--O 1.234 0.301 0 C-N-CA 122.661 2.24 . . . . 10.0 112.231 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 141' ' ' PHE . . . . . 0.607 ' HE1' ' HE2' ' B' ' 82' ' ' PHE . 89.0 t80 -128.7 130.51 47.26 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.056 -0.52 . . . . 10.0 109.831 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 24.0 mt -125.94 132.93 70.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.901 0.381 . . . . 10.0 111.308 -179.454 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -91.75 120.37 32.43 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.451 -0.944 . . . . 10.0 108.451 178.031 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 32.0 p -127.93 173.51 9.95 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.604 0.716 . . . . 10.0 112.83 -177.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 7.0 t -155.53 110.79 3.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.209 -0.905 . . . . 10.0 109.15 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 146' ' ' ALA . . . . . 0.718 ' HB2' HD23 ' B' ' 19' ' ' LEU . . . -72.43 -17.66 61.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.863 0.363 . . . . 10.0 110.453 -179.732 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 55.4 tttt -60.05 -42.28 94.12 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.476 -0.783 . . . . 10.0 111.973 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.23 22.81 6.54 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.535 0.198 . . . . 10.0 111.535 -179.455 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 53.24 50.62 17.24 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.384 0.611 . . . . 10.0 111.43 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -82.17 89.45 6.5 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.42 -0.809 . . . . 10.0 111.377 -178.676 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 58.97 33.73 75.41 Favored Glycine 0 C--N 1.332 0.358 0 CA-C-N 116.117 -0.492 . . . . 10.0 114.137 178.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 152' ' ' VAL . . . . . 0.515 HG12 ' CE2' ' B' ' 156' ' ' PHE . 22.8 t -67.02 -42.71 88.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.109 0.48 . . . . 10.0 110.758 -179.305 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.93 -34.39 78.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.936 -0.575 . . . . 10.0 111.679 -179.468 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -56.79 -46.35 81.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.206 -179.527 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.69 -40.91 96.67 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.89 -179.614 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 156' ' ' PHE . . . . . 0.515 ' CE2' HG12 ' B' ' 152' ' ' VAL . 23.2 m-85 -66.45 -45.62 79.17 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.599 -0.728 . . . . 10.0 111.648 -179.798 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 18.1 m-30 -62.39 -40.69 97.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.096 0.474 . . . . 10.0 110.319 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 158' ' ' THR . . . . . 0.409 ' HA ' ' NH1' ' B' ' 161' ' ' ARG . 93.0 m -61.73 -36.68 81.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.763 -0.653 . . . . 10.0 111.775 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 40.0 tp -65.77 -44.81 84.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.176 -0.465 . . . . 10.0 110.645 179.578 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 57.5 t -65.63 -40.39 87.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.193 0.52 . . . . 10.0 110.485 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 161' ' ' ARG . . . . . 0.409 ' NH1' ' HA ' ' B' ' 158' ' ' THR . 28.2 ttp-105 -61.42 -31.89 71.83 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.46 -0.791 . . . . 10.0 111.394 179.627 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 162' ' ' GLU . . . . . 0.739 ' HB3' ' HB3' ' B' ' 110' ' ' PRO . 25.2 mm-40 -66.69 -50.76 61.8 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.347 -0.388 . . . . 10.0 110.962 179.757 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 163' ' ' ILE . . . . . 0.442 HD11 ' HA3' ' B' ' 77' ' ' GLY . 14.9 mt -59.71 -29.54 43.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.509 -0.769 . . . . 10.0 112.194 -179.154 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 3.0 mtt85 -66.27 -17.72 64.92 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.119 0.414 . . . . 10.0 112.119 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 165' ' ' LYS . . . . . 0.606 ' HD3' ' HG2' ' C' ' 135' ' ' ARG . 55.7 mtmt -89.34 2.79 53.9 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.114 0.413 . . . . 10.0 112.114 -179.419 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 73.1 t60 -64.53 -44.9 89.38 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.928 0.394 . . . . 10.0 110.481 179.337 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 41.9 pttt -88.11 28.1 1.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.839 -0.619 . . . . 10.0 111.157 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -143.49 -70.7 0.31 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.293 -0.412 . . . . 10.0 111.31 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 169' ' ' LYS . . . . . 0.543 ' HB3' ' HE2' ' B' ' 169' ' ' LYS . 28.0 mtpt -63.35 -38.0 89.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 10.0 111.8 -178.697 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 51.7 ttm -80.08 -24.46 40.6 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.035 0.445 . . . . 10.0 111.878 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 6.4 m -70.64 -34.75 72.4 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.301 -0.629 . . . . 10.0 109.301 178.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 46.8 mtpt -71.91 -48.19 47.23 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.53 -0.759 . . . . 10.0 109.093 178.55 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 173' ' ' ASP . . . . . . . . . . . . . 6.8 t0 69.85 -44.62 0.56 Allowed 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.294 -0.866 . . . . 10.0 112.51 179.365 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . 135.97 -41.42 1.43 Allowed Glycine 0 N--CA 1.449 -0.465 0 N-CA-C 109.484 -1.446 . . . . 10.0 109.484 -179.206 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 175' ' ' LYS . . . . . 0.427 ' HD2' ' O2P' ' B' ' 207' ' ' PCW . 12.6 mmmt -151.56 -161.29 1.29 Allowed 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 107.682 -1.229 . . . . 10.0 107.682 179.028 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 176' ' ' LYS . . . . . 0.451 ' HB3' ' HE2' ' B' ' 176' ' ' LYS . 24.8 ttpt 69.39 -64.46 0.34 Allowed 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 113.177 0.806 . . . . 10.0 113.177 178.439 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 177' ' ' LYS . . . . . 0.401 ' NZ ' ' O4 ' ' B' ' 209' ' ' 17F . 52.0 mmtt -114.55 -48.6 2.86 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 111.901 0.334 . . . . 10.0 111.901 -179.244 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 178' ' ' LYS . . . . . 0.526 ' HD3' ' O2P' ' B' ' 207' ' ' PCW . 6.7 mtmp? 68.45 -168.96 0.19 Allowed 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.959 -179.179 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 179' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -85.84 -55.25 4.05 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.07 0.462 . . . . 10.0 110.729 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -94.98 109.83 21.8 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.162 -0.472 . . . . 10.0 111.425 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 181' ' ' SER . . . . . 0.868 ' O ' ' H42' ' B' ' 204' ' ' PCW . 42.7 m -77.46 -45.2 26.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.072 -0.513 . . . . 10.0 109.626 178.618 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 182' ' ' LYS . . . . . 0.632 ' HA ' ' H63' ' B' ' 204' ' ' PCW . 83.7 tttt -90.82 124.02 34.82 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.98 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 14.6 t -145.3 17.88 1.54 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.195 0.522 . . . . 10.0 110.023 179.335 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 184' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.404 0 CA-C-N 115.811 -0.632 . . . . 10.0 110.724 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.454 -0.227 0 CA-C-O 120.884 0.373 . . . . 10.0 110.865 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 4.2 m -77.05 124.88 28.43 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.314 -0.403 . . . . 10.0 110.71 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -89.59 128.83 36.09 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.991 -0.55 . . . . 10.0 110.007 179.577 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -117.99 125.47 50.45 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.992 -0.373 . . . . 10.0 109.992 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 5' ' ' LYS . . . . . 0.4 ' HB2' ' HG3' ' C' ' 76' ' ' GLU . 67.2 mttm -95.1 111.66 23.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.388 -0.369 . . . . 10.0 110.569 -179.72 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 6' ' ' LEU . . . . . 0.496 HD11 HG12 ' C' ' 55' ' ' ILE . 0.7 OUTLIER -123.61 131.28 53.58 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.143 -0.48 . . . . 10.0 111.938 -179.396 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 20.4 t -114.36 132.37 63.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.354 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 10.1 t -96.55 122.22 47.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.552 -0.536 . . . . 10.0 109.552 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 11.5 m -123.04 157.38 28.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.41 -179.369 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 152.14 176.31 24.68 Favored Glycine 0 N--CA 1.451 -0.33 0 N-CA-C 111.289 -0.724 . . . . 10.0 111.289 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.74 174.91 4.63 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.946 0.373 . . . . 10.0 111.344 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.65 145.53 27.94 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.983 0.42 . . . . 10.0 111.337 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 13' ' ' GLY . . . . . 0.735 ' HA2' H5'1 ' C' ' 201' ' ' GSP . . . 74.62 18.35 80.0 Favored Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 115.439 -0.801 . . . . 10.0 113.944 179.093 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 14' ' ' VAL . . . . . 0.471 ' CG2' ' HG3' ' C' ' 16' ' ' LYS . 30.5 m -87.36 -29.73 5.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 117.456 0.628 . . . . 10.0 112.299 -179.65 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 15' ' ' GLY . . . . . 0.529 ' HA3' ' ND2' ' C' ' 116' ' ' ASN . . . 116.09 18.11 6.04 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.684 -0.77 . . . . 10.0 113.195 179.635 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 16' ' ' LYS . . . . . 0.613 ' HG2' ' HB ' ' C' ' 81' ' ' VAL . 54.3 mtmt -57.94 -46.41 85.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.14 0.495 . . . . 10.0 111.33 -179.806 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 17' ' ' SER . . . . . 0.418 ' OG ' ' O3G' ' C' ' 201' ' ' GSP . 14.9 m -76.56 -35.12 58.4 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.998 -178.826 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.19 -47.33 86.42 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.931 0.396 . . . . 10.0 110.72 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 71.3 mt -61.57 -45.72 92.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.923 -0.58 . . . . 10.0 111.141 179.445 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 8.1 m -63.26 -40.56 97.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.085 0.469 . . . . 10.0 111.639 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 71.3 mt -65.81 -29.95 48.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.508 179.624 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 22' ' ' GLN . . . . . 0.543 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 8.8 mm-40 -69.36 -17.2 63.67 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.338 -0.392 . . . . 10.0 111.39 179.14 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 20.7 tp -94.68 -37.05 11.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.96 0.409 . . . . 10.0 110.708 179.094 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 36.6 mm -83.91 -72.31 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.472 -0.331 . . . . 10.0 111.217 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 25' ' ' GLN . . . . . 0.564 ' HB3' ' HD2' ' C' ' 27' ' ' HIS . 79.2 mt-30 -76.11 -21.49 56.6 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.117 -0.492 . . . . 10.0 111.385 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 26' ' ' ASN . . . . . 0.543 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 32.7 m-80 68.67 34.68 3.37 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 113.403 0.89 . . . . 10.0 113.403 178.267 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 27' ' ' HIS . . . . . 0.564 ' HD2' ' HB3' ' C' ' 25' ' ' GLN . 3.8 p80 -140.11 156.49 46.54 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.468 -0.333 . . . . 10.0 110.117 178.742 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -97.31 118.13 33.09 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.028 0.442 . . . . 10.0 111.413 -179.522 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -78.84 103.82 6.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 109.359 -0.608 . . . . 10.0 109.359 178.788 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -74.27 -16.53 60.94 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.208 0.528 . . . . 10.0 110.966 -179.479 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.89 142.76 27.1 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.386 -0.825 . . . . 10.0 109.08 178.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 32' ' ' TYR . . . . . 0.603 ' CD1' H5'2 ' C' ' 201' ' ' GSP . 14.1 t80 -93.96 112.01 23.79 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 112.285 0.476 . . . . 10.0 112.285 -179.485 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -114.58 108.97 48.64 Favored Pre-proline 0 C--N 1.326 -0.423 0 N-CA-C 109.011 -0.737 . . . . 10.0 109.011 178.033 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -62.74 85.02 0.11 Allowed 'Trans proline' 0 CA--C 1.528 0.213 0 C-N-CA 123.137 2.558 . . . . 10.0 113.147 -179.239 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.75 106.97 6.55 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.509 -0.552 . . . . 10.0 109.509 178.827 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 36' ' ' ILE . . . . . 0.804 ' HA ' ' HB2' ' C' ' 59' ' ' ALA . 49.0 mm -64.5 -52.11 59.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 CA-C-N 116.029 -0.532 . . . . 10.0 111.319 -179.127 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -155.56 98.16 1.93 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.882 -0.599 . . . . 10.0 109.387 -179.343 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -123.05 139.56 53.94 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.283 -0.417 . . . . 10.0 111.032 -179.072 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.53 140.78 48.85 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.911 0.386 . . . . 10.0 111.623 -179.259 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -127.18 141.86 51.64 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.953 -0.567 . . . . 10.0 109.584 -179.608 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 41' ' ' ARG . . . . . 0.427 ' HA ' ' O ' ' C' ' 53' ' ' LEU . 1.0 OUTLIER -118.87 122.74 43.02 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.909 -0.404 . . . . 10.0 109.909 179.493 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 47.1 tptt -132.4 123.22 26.31 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 121.18 -0.208 . . . . 10.0 111.122 -179.445 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -102.22 104.98 15.58 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.673 -0.491 . . . . 10.0 109.673 179.274 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 3.1 m -132.95 164.0 36.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.879 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 23.7 t -96.7 111.68 27.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.035 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 75.6 mt -113.58 119.1 60.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.934 -179.363 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 47' ' ' ASP . . . . . 0.946 ' HA ' ' HB3' ' B' ' 128' ' ' LYS . 55.9 m-20 60.05 28.79 18.37 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.719 -0.673 . . . . 10.0 112.485 179.698 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.88 -14.93 63.98 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.753 -0.737 . . . . 10.0 113.652 179.309 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -104.51 137.65 42.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 122.438 -0.449 . . . . 10.0 111.324 -179.405 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 1.1 m -78.54 122.21 25.59 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.691 -0.855 . . . . 10.0 108.691 178.622 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 3.8 m -119.01 143.73 46.91 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 113.111 0.782 . . . . 10.0 113.111 -177.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 59.5 tp -105.84 99.49 9.09 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 107.199 -1.408 . . . . 10.0 107.199 177.325 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 53' ' ' LEU . . . . . 0.427 ' O ' ' HA ' ' C' ' 41' ' ' ARG . 22.5 mt -80.09 119.39 22.82 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 113.071 0.767 . . . . 10.0 113.071 -177.55 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -103.18 86.09 2.62 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.319 -1.363 . . . . 10.0 107.319 177.23 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 55' ' ' ILE . . . . . 0.496 HG12 HD11 ' C' ' 6' ' ' LEU . 5.6 mt -85.88 135.43 25.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.4 -0.818 . . . . 10.0 111.449 -177.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 43.5 tp -125.86 111.76 15.2 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.669 179.027 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -94.8 118.08 31.18 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.455 -0.793 . . . . 10.0 109.462 179.578 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 58' ' ' THR . . . . . 0.418 HG21 ' CE2' ' C' ' 71' ' ' TYR . 69.8 p -108.11 147.29 31.44 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.478 -179.19 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 59' ' ' ALA . . . . . 0.804 ' HB2' ' HA ' ' C' ' 36' ' ' ILE . . . -67.12 139.15 57.5 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.839 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -98.53 29.49 11.41 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.802 -0.713 . . . . 10.0 112.022 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -82.74 0.09 45.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.463 0.173 . . . . 10.0 111.073 -179.538 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 62' ' ' GLU . . . . . 0.485 ' O ' ' HB3' ' C' ' 63' ' ' GLU . 31.9 mm-40 65.29 -162.65 0.26 Allowed 'General case' 0 C--O 1.235 0.32 0 N-CA-C 112.538 0.569 . . . . 10.0 112.538 -179.433 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 63' ' ' GLU . . . . . 0.485 ' HB3' ' O ' ' C' ' 62' ' ' GLU . 24.5 tt0 77.89 -28.71 0.16 Allowed 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.345 0.658 . . . . 10.0 111.579 -178.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 64' ' ' TYR . . . . . 0.58 ' HB3' ' HB3' ' C' ' 67' ' ' MET . 11.2 m-85 -76.06 79.18 2.9 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.936 -179.753 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.45 -74.36 0.26 Allowed 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.214 0.53 . . . . 10.0 110.55 179.686 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -72.64 -25.84 61.43 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.227 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 67' ' ' MET . . . . . 0.58 ' HB3' ' HB3' ' C' ' 64' ' ' TYR . 24.6 ttt -64.14 -25.32 68.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.758 -0.655 . . . . 10.0 110.501 179.423 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 68' ' ' ARG . . . . . 0.544 ' HG2' ' HE3' ' C' ' 72' ' ' MET . 1.4 tpp180 -73.41 -38.55 65.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.608 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 69' ' ' ASP . . . . . 0.408 ' HA ' ' HB2' ' C' ' 72' ' ' MET . 0.3 OUTLIER -57.07 -35.89 69.9 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.233 -0.439 . . . . 10.0 111.89 179.9 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -50.49 -48.93 56.63 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.828 -0.624 . . . . 10.0 112.399 -179.293 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 71' ' ' TYR . . . . . 0.51 ' CZ ' ' HA ' ' C' ' 68' ' ' ARG . 4.3 p90 -95.58 -10.64 29.01 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.41 0.522 . . . . 10.0 112.41 -179.226 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 72' ' ' MET . . . . . 0.544 ' HE3' ' HG2' ' C' ' 68' ' ' ARG . 22.2 mtt -76.03 -33.82 59.66 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.804 0.335 . . . . 10.0 111.17 179.75 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 25.8 mtm180 -73.88 -35.45 64.72 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.891 0.377 . . . . 10.0 111.226 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -75.0 -45.32 42.76 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.913 -0.585 . . . . 10.0 112.54 -179.126 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -63.42 146.0 50.19 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.773 -0.727 . . . . 10.0 113.141 -179.493 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 76' ' ' GLU . . . . . 0.4 ' HG3' ' HB2' ' C' ' 5' ' ' LYS . 31.5 mt-10 -100.22 -51.49 3.64 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.109 0.481 . . . . 10.0 110.003 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -105.92 137.81 13.99 Favored Glycine 0 N--CA 1.448 -0.544 0 CA-C-N 115.593 -0.73 . . . . 10.0 111.353 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 78' ' ' PHE . . . . . 0.668 ' HB2' ' HG2' ' C' ' 111' ' ' MET . 84.5 m-85 -114.37 125.26 53.66 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.341 0.591 . . . . 10.0 112.145 -179.343 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 79' ' ' LEU . . . . . 0.676 HD13 HD22 ' C' ' 159' ' ' LEU . 12.4 tp -102.38 104.56 15.05 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.369 -0.832 . . . . 10.0 109.853 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 80' ' ' CYS . . . . . 0.766 ' HB3' HD12 ' C' ' 93' ' ' ILE . 72.6 m -90.54 104.89 17.42 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.378 -0.374 . . . . 10.0 110.087 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 81' ' ' VAL . . . . . 0.613 ' HB ' ' HG2' ' C' ' 16' ' ' LYS . 94.8 t -104.89 119.84 54.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.813 -0.63 . . . . 10.0 110.721 -179.474 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 82' ' ' PHE . . . . . 0.57 ' HE2' ' HG ' ' C' ' 113' ' ' LEU . 36.5 p90 -123.48 163.75 20.28 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.476 -0.784 . . . . 10.0 109.459 178.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 83' ' ' ALA . . . . . 0.493 ' HB3' ' HB3' ' C' ' 86' ' ' ASN . . . -100.85 131.74 46.59 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 120.807 0.337 . . . . 10.0 110.306 179.774 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 84' ' ' ILE . . . . . 0.607 HD12 ' HB3' ' C' ' 123' ' ' ARG . 14.7 pt -67.1 -14.7 18.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.321 -0.4 . . . . 10.0 112.047 -179.367 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 85' ' ' ASN . . . . . 0.401 ' OD1' ' HB1' ' C' ' 83' ' ' ALA . 28.8 p-10 -102.68 0.65 33.43 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.96 0.41 . . . . 10.0 110.429 179.41 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 86' ' ' ASN . . . . . 0.493 ' HB3' ' HB3' ' C' ' 83' ' ' ALA . 44.3 t-20 -122.33 94.83 4.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.359 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -62.07 -32.57 73.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.859 -0.61 . . . . 10.0 111.799 -179.422 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -60.96 -42.77 98.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.86 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 98.4 p -69.0 -30.09 68.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.431 -0.35 . . . . 10.0 111.031 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 90' ' ' PHE . . . . . 0.404 ' HB2' HG21 ' C' ' 125' ' ' VAL . 73.0 t80 -66.15 -48.59 70.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.548 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -72.6 -19.4 61.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.937 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.67 -22.56 60.9 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.362 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 93' ' ' ILE . . . . . 0.766 HD12 ' HB3' ' C' ' 80' ' ' CYS . 47.6 mm -60.26 -32.52 50.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.222 -0.445 . . . . 10.0 109.817 179.212 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 64.1 t60 -61.38 -47.3 86.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.907 -0.588 . . . . 10.0 109.874 179.15 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 81.6 m-70 -64.3 -32.4 73.98 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.824 -0.625 . . . . 10.0 110.631 -179.685 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -71.08 -49.63 42.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.239 179.315 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -58.46 -43.05 88.7 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.642 179.476 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -66.02 -35.95 81.95 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.998 -0.546 . . . . 10.0 111.551 179.625 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -67.74 -45.05 76.08 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.814 0.34 . . . . 10.0 110.203 179.177 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 100' ' ' ILE . . . . . 0.425 HG21 HG11 ' C' ' 109' ' ' VAL . 80.5 mt -56.26 -49.94 73.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 115.672 -0.694 . . . . 10.0 111.193 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 36.5 mtmt -59.5 -35.54 74.35 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.297 0.48 . . . . 10.0 112.297 -179.293 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 9.0 tmm_? -76.42 -41.69 46.81 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.067 0.46 . . . . 10.0 110.793 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 44.5 t -68.45 -42.75 84.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 112.801 0.667 . . . . 10.0 112.801 -178.699 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -93.95 -15.62 24.74 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.984 0.735 . . . . 10.0 112.984 -178.583 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 26.3 t70 61.58 58.62 2.01 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.412 0.625 . . . . 10.0 111.794 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 69.3 m -159.54 140.76 12.75 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.337 -0.392 . . . . 10.0 111.462 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -84.48 -39.22 19.16 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.295 -0.632 . . . . 10.0 109.295 178.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.86 96.42 9.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.517 -0.765 . . . . 10.0 110.181 179.551 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 109' ' ' VAL . . . . . 0.425 HG11 HG21 ' C' ' 100' ' ' ILE . 14.5 t -124.56 129.2 24.73 Favored Pre-proline 0 C--N 1.323 -0.553 0 N-CA-C 109.606 -0.516 . . . . 10.0 109.606 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 110' ' ' PRO . . . . . 0.416 ' HG3' ' CB ' ' C' ' 166' ' ' HIS . 20.0 Cg_exo -67.11 97.67 0.42 Allowed 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 122.664 2.242 . . . . 10.0 111.126 179.155 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 111' ' ' MET . . . . . 0.668 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 53.1 mtm -130.02 152.66 49.23 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.344 -0.389 . . . . 10.0 110.388 -179.629 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 91.3 t -135.95 134.54 50.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.971 -0.559 . . . . 10.0 109.774 179.034 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 113' ' ' LEU . . . . . 0.57 ' HG ' ' HE2' ' C' ' 82' ' ' PHE . 14.7 tp -92.21 114.25 26.74 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.378 -0.601 . . . . 10.0 109.378 179.636 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 40.6 t -117.71 121.46 67.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.261 -0.427 . . . . 10.0 111.791 -179.136 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -100.07 115.61 5.35 Favored Glycine 0 N--CA 1.45 -0.375 0 N-CA-C 110.794 -0.922 . . . . 10.0 110.794 178.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 116' ' ' ASN . . . . . 0.529 ' ND2' ' HA3' ' C' ' 15' ' ' GLY . 65.0 t30 -94.02 166.6 12.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 117.204 0.502 . . . . 10.0 111.801 -178.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 117' ' ' LYS . . . . . 0.535 ' HE2' ' C4 ' ' C' ' 201' ' ' GSP . 93.4 mttt 64.96 31.65 11.16 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.526 -0.761 . . . . 10.0 111.59 179.413 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 118' ' ' CYS . . . . . 0.536 ' HA ' ' CD1' ' C' ' 84' ' ' ILE . 90.7 m -73.02 -1.9 19.03 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.578 0.585 . . . . 10.0 112.578 -179.511 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -92.45 -7.78 46.54 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.974 0.416 . . . . 10.0 110.299 179.218 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 120' ' ' LEU . . . . . 0.543 HD11 ' N2 ' ' C' ' 201' ' ' GSP . 71.0 mt -89.98 135.46 30.18 Favored Pre-proline 0 C--O 1.235 0.319 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.576 179.6 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -76.46 168.46 23.74 Favored 'Trans proline' 0 C--O 1.238 0.518 0 C-N-CA 122.877 2.385 . . . . 10.0 112.635 -179.363 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 12.9 m 58.18 64.66 1.45 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.585 -0.734 . . . . 10.0 111.337 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 123' ' ' ARG . . . . . 0.607 ' HB3' HD12 ' C' ' 84' ' ' ILE . 6.4 ptp180 -84.84 152.43 23.61 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.42 -179.562 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 3.3 p -94.09 -39.34 10.65 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.855 0.36 . . . . 10.0 110.789 179.401 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 125' ' ' VAL . . . . . 0.43 ' HA ' ' OE1' ' C' ' 129' ' ' GLN . 91.8 t -93.06 109.95 22.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-O 120.988 0.423 . . . . 10.0 110.531 179.312 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -69.43 146.64 51.85 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.11 -0.7 . . . . 10.0 109.11 178.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 11.1 m -55.28 -35.48 65.09 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.811 0.338 . . . . 10.0 110.401 179.432 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 128' ' ' LYS . . . . . 0.546 ' HB3' ' HA ' ' B' ' 47' ' ' ASP . 24.7 mttp -63.57 -49.31 73.89 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 112.999 0.741 . . . . 10.0 112.999 -178.499 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 129' ' ' GLN . . . . . 0.43 ' OE1' ' HA ' ' C' ' 125' ' ' VAL . 5.0 pt20 -63.5 -35.38 80.26 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.693 -0.403 . . . . 10.0 111.217 -179.655 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -69.11 -38.05 78.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.048 0.452 . . . . 10.0 109.784 178.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -67.35 -42.09 84.09 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.745 -0.661 . . . . 10.0 110.099 179.211 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -62.96 -44.4 96.14 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 116.115 -0.493 . . . . 10.0 111.077 179.646 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 37.8 tp -61.75 -41.27 97.46 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 116.544 -0.298 . . . . 10.0 110.305 179.374 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.2 -30.8 71.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.481 179.014 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 135' ' ' ARG . . . . . 0.606 ' HG2' ' HD3' ' B' ' 165' ' ' LYS . 1.6 tmm_? -64.14 -36.33 83.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.595 179.521 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 14.7 m -80.46 -10.59 59.74 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.027 -0.533 . . . . 10.0 111.22 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 10.2 m-30 -99.88 -31.94 11.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.111 179.573 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 90.06 13.42 60.56 Favored Glycine 0 C--N 1.332 0.313 0 N-CA-C 111.351 -0.7 . . . . 10.0 111.351 -179.42 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 43.3 pt -108.52 165.62 12.35 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.554 -0.323 . . . . 10.0 110.481 -179.158 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -91.67 154.65 3.49 Favored 'Trans proline' 0 CA--C 1.536 0.619 0 C-N-CA 123.051 2.501 . . . . 10.0 112.339 178.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -127.59 131.37 49.96 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.171 -0.468 . . . . 10.0 110.486 -179.603 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 34.3 mt -131.1 139.63 50.55 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.106 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 143' ' ' GLU . . . . . 0.458 ' HB3' ' SG ' ' C' ' 118' ' ' CYS . 42.4 mt-10 -94.88 116.84 29.22 Favored 'General case' 0 C--O 1.233 0.204 0 N-CA-C 108.984 -0.747 . . . . 10.0 108.984 178.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 144' ' ' THR . . . . . 0.486 HG22 ' HA3' ' C' ' 151' ' ' GLY . 72.6 p -124.42 176.46 6.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.881 0.848 . . . . 10.0 112.92 -178.453 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 12.0 t -157.2 129.15 7.16 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.792 -1.095 . . . . 10.0 108.371 178.206 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 146' ' ' ALA . . . . . 0.431 ' N ' ' O6 ' ' C' ' 201' ' ' GSP . . . -78.19 -25.3 47.07 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.006 0.431 . . . . 10.0 110.076 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 39.6 mtpt -67.95 -52.13 39.62 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.72 -0.673 . . . . 10.0 110.998 179.278 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -85.62 -11.35 54.13 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.453 -0.34 . . . . 10.0 111.067 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 27.9 ttt-85 60.51 34.3 20.41 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.549 0.69 . . . . 10.0 110.599 -179.21 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -97.54 126.73 43.0 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.164 -0.926 . . . . 10.0 111.094 -179.432 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 151' ' ' GLY . . . . . 0.486 ' HA3' HG22 ' C' ' 144' ' ' THR . . . 83.47 -4.03 83.0 Favored Glycine 0 CA--C 1.52 0.351 0 CA-C-N 115.897 -0.592 . . . . 10.0 113.572 179.098 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 152' ' ' VAL . . . . . 0.421 ' O ' ' HD2' ' C' ' 156' ' ' PHE . 98.8 t -57.78 -52.25 60.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.772 0.32 . . . . 10.0 111.719 -179.15 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -62.53 -50.51 71.07 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.187 -0.46 . . . . 10.0 111.938 -178.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -59.09 -38.97 80.78 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.571 0.582 . . . . 10.0 112.571 -178.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -57.24 -43.94 83.38 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.904 0.383 . . . . 10.0 110.899 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 156' ' ' PHE . . . . . 0.457 ' O ' HG23 ' C' ' 160' ' ' VAL . 61.4 m-85 -73.92 -46.48 44.03 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.778 179.477 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -57.8 -47.79 81.57 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.771 -0.65 . . . . 10.0 111.724 -179.462 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 158' ' ' THR . . . . . 0.464 ' O ' ' HG2' ' C' ' 162' ' ' GLU . 43.7 m -62.2 -37.95 87.27 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.317 -0.401 . . . . 10.0 111.217 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 159' ' ' LEU . . . . . 0.676 HD22 HD13 ' C' ' 79' ' ' LEU . 54.3 tp -62.17 -43.17 99.43 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 120.996 0.427 . . . . 10.0 109.953 178.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 160' ' ' VAL . . . . . 0.457 HG23 ' O ' ' C' ' 156' ' ' PHE . 84.4 t -63.88 -42.27 95.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.554 0.692 . . . . 10.0 109.376 178.598 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 161' ' ' ARG . . . . . 0.432 ' HD3' ' OD2' ' C' ' 47' ' ' ASP . 6.7 ttp180 -61.5 -37.07 82.34 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.857 -1.065 . . . . 10.0 110.607 179.679 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 162' ' ' GLU . . . . . 0.464 ' HG2' ' O ' ' C' ' 158' ' ' THR . 18.1 mm-40 -69.07 -34.23 74.81 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.743 179.376 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 163' ' ' ILE . . . . . 0.424 HG13 ' O ' ' C' ' 159' ' ' LEU . 71.4 mt -62.37 -45.48 98.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 109.679 -0.489 . . . . 10.0 109.679 178.748 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 164' ' ' ARG . . . . . 0.555 HH12 ' HB2' ' C' ' 47' ' ' ASP . 94.3 mtt180 -60.97 -45.48 94.59 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.127 -0.694 . . . . 10.0 109.127 178.484 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 29.1 ttmt -53.9 -49.74 67.92 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.083 -0.962 . . . . 10.0 109.989 179.069 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 166' ' ' HIS . . . . . 0.416 ' CB ' ' HG3' ' C' ' 110' ' ' PRO . 14.8 t-80 -55.37 -47.49 75.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.438 . . . . 10.0 111.298 179.42 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 167' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' C' ' 163' ' ' ILE . 71.8 mttt -62.32 -41.17 98.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.273 -0.422 . . . . 10.0 111.861 -179.296 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -73.16 -46.56 50.09 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.82 0.343 . . . . 10.0 110.538 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 169' ' ' LYS . . . . . 0.5 ' HB3' ' HE2' ' C' ' 169' ' ' LYS . 17.8 mtpt -59.79 -39.19 84.11 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.352 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 74.8 mmm -71.08 -15.79 62.55 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.257 -0.429 . . . . 10.0 112.128 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 51.0 m -78.28 -18.28 55.49 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-O 121.317 0.579 . . . . 10.0 109.478 178.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 30.5 mtpt -102.88 -41.95 5.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.387 -0.824 . . . . 10.0 109.342 179.117 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 173' ' ' ASP . . . . . 0.569 ' OD1' ' HG2' ' C' ' 175' ' ' LYS . 4.6 t70 73.6 168.88 0.31 Allowed 'General case' 0 C--O 1.238 0.45 0 O-C-N 123.835 0.709 . . . . 10.0 111.488 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . -90.71 -4.66 69.7 Favored Glycine 0 N--CA 1.447 -0.582 0 N-CA-C 111.115 -0.794 . . . . 10.0 111.115 179.627 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 175' ' ' LYS . . . . . 0.596 ' HG3' ' HG3' ' C' ' 176' ' ' LYS . 14.2 pttm -147.21 -173.59 4.29 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.992 -0.373 . . . . 10.0 109.992 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 176' ' ' LYS . . . . . 0.596 ' HG3' ' HG3' ' C' ' 175' ' ' LYS . 52.3 mtmt 68.94 -80.04 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 112.757 0.651 . . . . 10.0 112.757 179.567 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 177' ' ' LYS . . . . . 0.408 ' H ' ' HG2' ' C' ' 177' ' ' LYS . 2.6 ptmt -109.78 85.15 2.05 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.725 0.774 . . . . 10.0 111.863 -179.177 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 178' ' ' LYS . . . . . . . . . . . . . 41.6 mttt -80.29 103.17 9.98 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.459 -0.791 . . . . 10.0 110.358 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 179' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -91.31 40.02 1.02 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.258 0.551 . . . . 10.0 111.503 -179.106 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 180' ' ' LYS . . . . . 0.596 ' HG2' ' H ' ' C' ' 181' ' ' SER . 32.4 tttp -165.01 -169.95 1.81 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.665 -0.698 . . . . 10.0 109.616 179.635 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 181' ' ' SER . . . . . 0.596 ' H ' ' HG2' ' C' ' 180' ' ' LYS . 0.7 OUTLIER -68.18 178.77 1.76 Allowed 'General case' 0 C--O 1.237 0.433 0 N-CA-C 110.22 -0.289 . . . . 10.0 110.22 179.308 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 182' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 68.65 84.47 0.15 Allowed 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.224 0.535 . . . . 10.0 110.501 179.652 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 183' ' ' THR . . . . . 0.623 ' CG2' ' H1 ' ' C' ' 215' ' ' 17F . 4.3 p -96.48 -73.53 0.59 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.748 -0.66 . . . . 10.0 111.477 -179.137 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 184' ' ' LYS . . . . . 0.505 ' HZ2' H352 ' C' ' 211' ' ' PCW . 30.6 mttt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.912 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 401' ' ' PCW . . . . . 0.998 ' H62' ' H2 ' ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 402' ' ' PCW . . . . . 1.064 H411 H361 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 403' ' ' PCW . . . . . 1.199 H282 ' C23' ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 404' ' ' PCW . . . . . 1.104 ' C16' H421 ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 405' ' ' PCW . . . . . 1.07 H361 H441 ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 406' ' ' PCW . . . . . 1.101 H351 ' H9 ' ' B' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 407' ' ' PCW . . . . . 1.078 H321 H372 ' A' ' 410' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 408' ' ' PCW . . . . . 1.053 H152 H211 ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 409' ' ' PCW . . . . . 1.235 ' C19' H142 ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 410' ' ' PCW . . . . . 1.078 H372 H321 ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 411' ' ' PCW . . . . . 1.07 H441 H361 ' A' ' 405' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 412' ' ' PCW . . . . . 1.056 H451 H182 ' C' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 413' ' ' PCW . . . . . 1.032 H162 ' C35' ' A' ' 408' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 414' ' ' PCW . . . . . 1.014 H181 H221 ' A' ' 414' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 415' ' ' 17F . . . . . 1.033 ' H49' ' C23' ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 416' ' ' 17F . . . . . 0.777 ' H77' ' H78' ' B' ' 209' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 417' ' ' PCW . . . . . 1.03 H141 H341 ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 418' ' ' PCW . . . . . 1.15 H341 ' C13' ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 419' ' ' PCW . . . . . 1.063 H462 H283 ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 420' ' ' PCW . . . . . 1.03 H341 H141 ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 421' ' ' PCW . . . . . 1.02 H162 ' H57' ' D' ' 630' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 422' ' ' 17F . . . . . 1.091 ' H62' H421 ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 601' ' ' PCW . . . . . 0.971 H421 H461 ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 602' ' ' PCW . . . . . 0.957 H172 H212 ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 603' ' ' PCW . . . . . 1.16 ' O11' ' H61' ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 604' ' ' PCW . . . . . 1.16 ' H61' ' O11' ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 605' ' ' PCW . . . . . 1.12 ' O1P' ' H52' ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 606' ' ' PCW . . . . . 1.083 ' H73' ' H19' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 607' ' ' PCW . . . . . 0.93 ' H31' H372 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 608' ' ' PCW . . . . . 0.96 ' H63' H242 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 609' ' ' PCW . . . . . 1.032 H271 ' H73' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 610' ' ' PCW . . . . . 1.015 ' H63' ' H6A' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 611' ' ' PCW . . . . . 0.921 ' C14' H261 ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 612' ' ' PCW . . . . . 1.036 ' H51' H342 ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 613' ' ' PCW . . . . . 1.15 ' C13' H341 ' A' ' 418' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 614' ' ' PCW . . . . . 1.12 ' H52' ' O1P' ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 615' ' ' PCW . . . . . 1.07 ' C44' ' H20' ' D' ' 620' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 616' ' ' PCW . . . . . 1.066 H211 ' H41' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 617' ' ' PCW . . . . . 0.961 ' H39' H142 ' D' ' 619' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 618' ' ' PCW . . . . . 1.022 H411 ' H11' ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 619' ' ' PCW . . . . . 1.008 H132 H321 ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 620' ' ' PCW . . . . . 1.07 ' H20' ' C44' ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 621' ' ' PCW . . . . . 0.847 H152 ' H18' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 622' ' ' PCW . . . . . 1.091 H421 ' H62' ' A' ' 422' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 623' ' ' PCW . . . . . 1.036 H342 ' H51' ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 624' ' ' PCW . . . . . 1.048 ' H73' H321 ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 625' ' ' PCW . . . . . 1.038 ' H19' H151 ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 626' ' ' PCW . . . . . 1.083 ' H19' ' H73' ' D' ' 606' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 627' ' ' PCW . . . . . 0.963 H172 H361 ' D' ' 619' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 628' ' ' 17F . . . . . 1.032 ' H73' H271 ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 629' ' ' 17F . . . . . 0.966 ' H51' ' H57' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 630' ' ' 17F . . . . . 1.02 ' H57' H162 ' A' ' 421' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 631' ' ' 17F . . . . . 1.031 ' H8 ' ' C7 ' ' C' ' 217' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 632' ' ' 17F . . . . . 1.066 ' H41' H211 ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 201' ' ' GSP . . . . . 1.053 ' O2A' " H3'" ' B' ' 201' ' ' GSP . . . . . . . . 0 O4'--C1' 1.436 1.796 2 C1'-O4'-C4' 101.397 -9.114 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 202' ' ' ' MG' . . . . . 0.601 'MG ' ' O2B' ' B' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 203' ' ' PCW . . . . . 0.889 H381 H421 ' C' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 204' ' ' PCW . . . . . 0.996 H231 H272 ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 205' ' ' PCW . . . . . 1.015 H262 H472 ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 206' ' ' PCW . . . . . 1.079 ' C23' H151 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 207' ' ' PCW . . . . . 1.025 ' H41' ' H31' ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 208' ' ' PCW . . . . . 1.033 ' C23' ' H49' ' A' ' 415' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 209' ' ' 17F . . . . . 1.017 ' H57' H19A ' B' ' 209' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 210' ' ' 17F . . . . . 0.942 ' H65' ' H39' ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 211' ' ' 17F . . . . . 1.101 ' H9 ' H351 ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 201' ' ' GSP . . . . . 0.735 H5'1 ' HA2' ' C' ' 13' ' ' GLY . . . . . . . . 0 O4'--C1' 1.437 1.95 2 O4'-C1'-N19 112.813 4.613 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 202' ' ' ' MG' . . . . . 0.655 'MG ' ' O3G' ' C' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 203' ' ' PCW . . . . . 1.069 H282 H451 ' C' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 204' ' ' PCW . . . . . 1.044 ' H40' H251 ' C' ' 216' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 205' ' ' PCW . . . . . 1.096 H411 ' H8 ' ' C' ' 215' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 206' ' ' PCW . . . . . 1.083 H151 H151 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 207' ' ' PCW . . . . . 1.042 H322 ' H63' ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 208' ' ' PCW . . . . . 1.083 H151 H151 ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 209' ' ' PCW . . . . . 1.128 ' O4P' ' H32' ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 210' ' ' PCW . . . . . 1.103 ' O31' H352 ' C' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 211' ' ' PCW . . . . . 1.069 H451 H282 ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 212' ' ' PCW . . . . . 1.063 H283 H462 ' A' ' 419' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 213' ' ' 17F . . . . . 0.933 ' H50' ' H39' ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 214' ' ' 17F . . . . . 1.018 ' H55' H451 ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 215' ' ' 17F . . . . . 1.096 ' H8 ' H411 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 216' ' ' PCW . . . . . 1.044 H251 ' H40' ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 217' ' ' PCW . . . . . 1.142 H141 ' H33' ' C' ' 219' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 218' ' ' 17F . . . . . 1.163 H18A ' O7 ' ' C' ' 218' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 219' ' ' 17F . . . . . 1.142 ' H33' H141 ' C' ' 217' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 201' ' ' LEU . . . . . 0.592 ' HA ' HD12 ' A' ' 204' ' ' LEU . 76.5 mt . . . . . 0 C--O 1.234 0.266 0 CA-C-O 120.836 0.351 . . . . 10.0 110.865 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 7.1 tmtm? -63.61 -58.78 5.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.791 -0.64 . . . . 10.0 110.965 -179.408 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 82.1 mt -64.84 -33.73 76.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.812 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 204' ' ' LEU . . . . . 0.592 HD12 ' HA ' ' A' ' 201' ' ' LEU . 61.7 mt -58.45 -46.14 87.14 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.805 -0.634 . . . . 10.0 111.646 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -80.09 -34.43 37.98 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.566 -0.453 . . . . 10.0 111.454 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 206' ' ' ASN . . . . . 0.442 HD22 ' HA ' ' A' ' 206' ' ' ASN . 6.4 m120 -64.45 -35.26 80.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.023 0.439 . . . . 10.0 110.282 178.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 42.3 t90 -70.2 -27.83 64.81 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.431 -0.581 . . . . 10.0 109.431 178.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -64.08 -38.84 92.54 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.793 -0.639 . . . . 10.0 109.868 179.563 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.16 -34.96 78.68 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.168 179.132 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 46.4 t -68.89 -40.61 81.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 109.068 -0.716 . . . . 10.0 109.068 178.707 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 90.3 m -60.64 -44.04 96.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.366 -0.834 . . . . 10.0 110.337 179.177 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.75 -35.59 81.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.993 0.425 . . . . 10.0 109.914 179.321 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 213' ' ' THR . . . . . 0.445 ' O ' ' HG ' ' A' ' 217' ' ' LEU . 34.9 m -64.81 -44.63 89.27 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.096 -0.705 . . . . 10.0 109.096 178.698 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -59.48 -42.67 92.61 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.178 179.078 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 19.4 m -60.55 -50.55 73.11 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.824 -0.626 . . . . 10.0 110.293 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 36.3 mmtt -62.41 -33.75 75.4 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.163 -0.472 . . . . 10.0 110.451 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 217' ' ' LEU . . . . . 0.717 HD21 H252 ' A' ' 405' ' ' PCW . 71.4 mt -65.47 -47.35 76.36 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.099 178.769 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 58.8 mtt85 -64.88 -38.75 92.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.33 -0.396 . . . . 10.0 110.774 179.67 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -63.54 -24.48 67.83 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.681 179.398 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -96.95 -33.55 11.55 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.812 -0.631 . . . . 10.0 110.675 179.451 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 17.6 mt -53.15 -42.6 66.28 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 116.357 -0.383 . . . . 10.0 111.488 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -54.79 -67.32 2.26 Favored Glycine 0 N--CA 1.45 -0.403 0 N-CA-C 111.368 -0.693 . . . . 10.0 111.368 178.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -53.24 -42.93 61.41 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.516 2.144 . . . . 10.0 111.233 178.224 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 5.7 t -55.57 -52.04 51.59 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 CA-C-N 116.387 -0.369 . . . . 10.0 111.542 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 225' ' ' THR . . . . . 0.543 ' O ' ' HB2' ' A' ' 229' ' ' TRP . 6.6 p -67.03 -37.39 84.03 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.866 -0.334 . . . . 10.0 110.856 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -62.71 -50.36 71.42 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.028 0.442 . . . . 10.0 110.838 179.038 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -66.8 -41.93 86.76 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.925 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -66.3 -43.72 85.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.425 -0.352 . . . . 10.0 111.339 179.422 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 229' ' ' TRP . . . . . 0.543 ' HB2' ' O ' ' A' ' 225' ' ' THR . 0.9 OUTLIER -65.1 -38.42 90.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.779 0.323 . . . . 10.0 110.714 179.784 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -60.99 -45.57 94.26 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.291 0.567 . . . . 10.0 109.672 178.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 231' ' ' ASN . . . . . 0.942 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 62.5 m-20 -70.83 -35.56 72.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.483 -0.78 . . . . 10.0 110.256 179.242 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 19.3 mt -65.02 -40.22 94.54 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.469 -0.567 . . . . 10.0 109.469 178.276 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 233' ' ' GLU . . . . . 0.464 ' HA ' ' OG1' ' A' ' 236' ' ' THR . 2.5 mm-40 -63.09 -34.5 77.73 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.665 179.204 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 234' ' ' LYS . . . . . 0.942 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 50.7 mttt -62.54 -37.4 85.94 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 108.607 -0.886 . . . . 10.0 108.607 178.237 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -72.26 -44.78 62.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.073 -0.967 . . . . 10.0 110.682 178.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 236' ' ' THR . . . . . 0.464 ' OG1' ' HA ' ' A' ' 233' ' ' GLU . 0.0 OUTLIER -63.96 -38.7 92.03 Favored 'General case' 0 CA--C 1.521 -0.143 0 C-N-CA 120.745 -0.382 . . . . 10.0 110.328 179.385 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 237' ' ' GLU . . . . . 0.425 ' HA ' ' HD2' ' A' ' 240' ' ' ARG . 10.2 tt0 -65.24 -42.1 93.7 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 108.873 -0.788 . . . . 10.0 108.873 178.454 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 238' ' ' GLY . . . . . 0.432 ' O ' ' HB2' ' A' ' 242' ' ' GLU . . . -62.66 -40.35 99.06 Favored Glycine 0 N--CA 1.447 -0.576 0 N-CA-C 110.021 -1.232 . . . . 10.0 110.021 178.005 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 13.4 mt -67.74 -34.57 77.1 Favored 'General case' 0 C--O 1.224 -0.272 0 C-N-CA 122.655 0.382 . . . . 10.0 110.662 178.511 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 240' ' ' ARG . . . . . 0.425 ' HD2' ' HA ' ' A' ' 237' ' ' GLU . 41.4 mtt180 -65.24 -39.69 93.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.101 0.477 . . . . 10.0 109.925 178.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -77.99 -28.03 49.16 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.014 -0.735 . . . . 10.0 109.014 178.557 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 242' ' ' GLU . . . . . 0.432 ' HB2' ' O ' ' A' ' 238' ' ' GLY . 3.9 tt0 -69.48 -37.2 77.16 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 108.302 -0.999 . . . . 10.0 108.302 178.433 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 243' ' ' MET . . . . . 0.456 ' HG3' HD12 ' A' ' 247' ' ' LEU . 38.1 ttm -60.57 -34.47 74.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.442 -0.799 . . . . 10.0 110.259 178.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 14.7 m -70.15 1.88 4.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.716 -0.674 . . . . 10.0 111.59 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -128.79 -46.98 1.26 Allowed 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.751 -0.659 . . . . 10.0 110.025 178.206 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 246' ' ' ASP . . . . . 0.617 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 19.6 t70 -64.43 -56.24 15.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.339 -0.391 . . . . 10.0 110.839 179.39 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 247' ' ' LEU . . . . . 0.496 ' HA ' HG12 ' A' ' 250' ' ' VAL . 13.6 mt -75.68 -40.63 55.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.387 -0.369 . . . . 10.0 111.6 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -60.49 -51.53 69.06 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.491 -0.322 . . . . 10.0 111.781 -179.658 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -70.53 -33.42 71.14 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 121.031 -0.268 . . . . 10.0 111.577 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 250' ' ' VAL . . . . . 0.632 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 1.9 p -67.02 -32.15 56.64 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.209 0 C-N-CA 120.889 -0.324 . . . . 10.0 110.881 179.388 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 251' ' ' LYS . . . . . 0.476 ' O ' HG12 ' A' ' 254' ' ' VAL . 95.7 mttt -80.55 -38.14 30.15 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-O 121.025 0.441 . . . . 10.0 110.595 179.146 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -68.41 -39.05 81.75 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.005 -0.543 . . . . 10.0 109.691 178.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 50.3 mttt -80.15 -23.68 40.95 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.718 -0.674 . . . . 10.0 111.32 179.349 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 254' ' ' VAL . . . . . 0.632 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.3 OUTLIER -62.74 -27.6 43.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 C-N-CA 121.066 -0.254 . . . . 10.0 110.896 -179.59 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 255' ' ' GLN . . . . . 0.475 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 27.6 mt-30 -61.04 -63.61 4.12 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.987 179.391 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 256' ' ' PRO . . . . . 0.475 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 30.0 Cg_endo -65.97 -32.82 43.88 Favored 'Trans proline' 0 C--N 1.355 0.921 0 C-N-CA 121.687 1.591 . . . . 10.0 112.057 178.527 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 4.8 m-30 -62.4 -55.19 30.29 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.871 0.367 . . . . 10.0 110.242 179.545 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 258' ' ' LEU . . . . . 0.435 ' HG ' HG22 ' A' ' 254' ' ' VAL . 49.6 mt -66.66 -33.5 75.79 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.855 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -62.95 -46.05 89.57 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 109.716 -0.475 . . . . 10.0 109.716 179.027 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -63.0 -47.8 81.57 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.821 -0.627 . . . . 10.0 110.272 179.186 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -61.94 -42.72 99.43 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.978 179.276 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -65.78 -40.47 92.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.052 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 263' ' ' LYS . . . . . 0.473 ' HE3' ' HB2' ' A' ' 263' ' ' LYS . 14.4 ttmt -61.54 -46.19 91.01 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.017 -0.734 . . . . 10.0 109.017 178.694 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 264' ' ' LYS . . . . . . . . . . . . . 44.9 mttp -61.74 -47.15 86.5 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 115.444 -0.798 . . . . 10.0 109.67 178.717 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 20.1 m95 -58.71 -42.54 88.91 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 115.681 -0.691 . . . . 10.0 110.782 179.443 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -59.33 -52.18 66.75 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 110.065 -0.346 . . . . 10.0 110.065 179.228 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -60.81 -47.1 87.89 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.545 179.108 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 268' ' ' GLU . . . . . 0.413 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 32.5 mt-10 -59.54 -44.1 93.32 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.715 -0.675 . . . . 10.0 111.489 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 82.4 mmm -66.53 -46.07 77.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.284 -0.416 . . . . 10.0 111.111 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -62.52 -41.75 99.06 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.583 -0.28 . . . . 10.0 110.691 179.39 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 35.3 mt -65.65 -39.58 91.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 10.0 109.897 178.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 272' ' ' TYR . . . . . 0.482 ' HD1' ' HA ' ' A' ' 272' ' ' TYR . 0.1 OUTLIER -63.85 -44.08 94.2 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.292 179.049 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 273' ' ' ARG . . . . . 0.704 ' HA ' HG12 ' A' ' 276' ' ' VAL . 99.5 mtt180 -69.61 -36.5 76.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.39 -0.368 . . . . 10.0 110.965 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -67.51 -17.63 64.74 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.901 -0.591 . . . . 10.0 110.045 178.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 275' ' ' LYS . . . . . 0.575 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 8.0 mptt -101.39 -44.64 5.57 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.663 -0.699 . . . . 10.0 110.808 179.329 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 276' ' ' VAL . . . . . 0.704 HG12 ' HA ' ' A' ' 273' ' ' ARG . 4.2 p -56.31 -34.87 41.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 112.773 0.657 . . . . 10.0 112.773 -178.297 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -64.05 -60.84 7.88 Favored Pre-proline 0 CA--C 1.539 0.542 0 N-CA-C 112.338 0.496 . . . . 10.0 112.338 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -64.59 -35.03 49.83 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 121.927 1.751 . . . . 10.0 111.745 178.44 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 279' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' A' ' 275' ' ' LYS . 51.5 mt -66.8 -37.86 85.38 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.846 0.355 . . . . 10.0 110.323 179.372 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 280' ' ' ARG . . . . . 0.593 ' HB2' ' O ' ' A' ' 276' ' ' VAL . 8.7 ttt180 -65.17 -33.24 75.54 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.079 -0.712 . . . . 10.0 109.079 179.01 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -64.46 -46.98 80.75 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.06 -0.718 . . . . 10.0 109.06 178.278 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -60.33 -46.14 90.96 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.259 178.542 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 95.2 mt -63.38 -43.77 96.65 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 115.625 -0.716 . . . . 10.0 110.898 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -66.25 -51.89 53.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 10.0 111.115 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -61.5 -42.67 99.14 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 120.79 0.329 . . . . 10.0 110.587 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -62.17 -46.26 94.35 Favored Glycine 0 N--CA 1.447 -0.601 0 N-CA-C 110.789 -0.924 . . . . 10.0 110.789 178.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -63.07 -39.95 96.23 Favored 'General case' 0 C--O 1.221 -0.422 0 N-CA-C 109.998 -0.371 . . . . 10.0 109.998 179.059 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -55.6 -43.84 76.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.424 179.296 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -74.34 -45.48 46.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.755 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -59.74 -42.45 93.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.301 -0.409 . . . . 10.0 110.544 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 291' ' ' LEU . . . . . 0.663 HD23 HD12 ' A' ' 294' ' ' LEU . 93.8 mt -67.37 -33.1 74.51 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.75 -0.463 . . . . 10.0 109.75 178.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -66.89 -42.02 86.22 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.183 -0.673 . . . . 10.0 109.183 178.073 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.94 -35.12 79.64 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.036 -0.728 . . . . 10.0 109.036 178.02 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 294' ' ' LEU . . . . . 0.663 HD12 HD23 ' A' ' 291' ' ' LEU . 76.9 mt -67.32 -48.75 66.65 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 109.069 -0.715 . . . . 10.0 109.069 178.158 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -59.97 -35.83 75.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.927 -0.579 . . . . 10.0 110.236 179.194 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -65.61 -7.47 15.18 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.515 -0.766 . . . . 10.0 111.3 179.134 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 297' ' ' LYS . . . . . 0.452 ' HD3' ' HA ' ' A' ' 297' ' ' LYS . 16.0 mmtp -120.75 -29.95 4.56 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 120.943 0.401 . . . . 10.0 110.13 178.555 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 298' ' ' LEU . . . . . 0.542 ' HG ' ' O ' ' A' ' 294' ' ' LEU . 91.6 mt -67.89 -32.82 73.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.349 -0.387 . . . . 10.0 111.331 179.462 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 299' ' ' SER . . . . . 0.437 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 12.8 m -74.79 -60.42 1.26 Allowed Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 112.433 0.531 . . . . 10.0 112.433 179.56 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 300' ' ' PRO . . . . . 0.437 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 32.0 Cg_endo -64.91 -53.08 0.99 Allowed 'Trans proline' 0 C--N 1.357 1.021 0 C-N-CA 121.876 1.717 . . . . 10.0 112.809 -179.451 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 301' ' ' LEU . . . . . 0.77 HD13 ' HG2' ' D' ' 473' ' ' LYS . 59.4 mt -68.3 -23.77 64.78 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.81 0.338 . . . . 10.0 110.301 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -73.54 -47.4 21.64 Favored Glycine 0 N--CA 1.448 -0.545 0 N-CA-C 110.545 -1.022 . . . . 10.0 110.545 178.411 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 303' ' ' GLU . . . . . 0.469 ' OE2' ' HA ' ' A' ' 303' ' ' GLU . 2.9 mm-40 -64.16 -40.44 96.15 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 109.074 -0.713 . . . . 10.0 109.074 178.342 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.16 -42.76 99.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.556 -0.747 . . . . 10.0 109.126 178.435 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 10.3 tpt -59.22 -41.47 88.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.211 179.387 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 306' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' A' ' 306' ' ' ARG . 63.9 mtt180 -65.93 -41.77 90.92 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.289 179.601 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 307' ' ' ASP . . . . . 0.616 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 20.0 t70 -69.29 -38.4 78.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.169 0.509 . . . . 10.0 110.08 179.208 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -65.79 -42.27 90.93 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.066 -0.716 . . . . 10.0 109.066 178.142 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 309' ' ' ALA . . . . . 0.588 ' HA ' ' HB2' ' A' ' 312' ' ' HIS . . . -61.52 -31.84 71.86 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.529 -0.76 . . . . 10.0 109.791 178.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 310' ' ' ARG . . . . . 0.616 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 89.6 mtt180 -58.18 -57.78 11.34 Favored 'General case' 0 C--O 1.221 -0.42 0 N-CA-C 109.017 -0.734 . . . . 10.0 109.017 178.446 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -67.64 -36.47 80.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.092 -0.504 . . . . 10.0 110.684 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 312' ' ' HIS . . . . . 0.588 ' HB2' ' HA ' ' A' ' 309' ' ' ALA . 0.2 OUTLIER -53.43 -52.35 59.69 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 115.95 -0.568 . . . . 10.0 109.929 179.397 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 60.4 t -81.28 -36.2 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.455 -0.793 . . . . 10.0 111.758 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 314' ' ' ASP . . . . . 0.544 ' HB2' ' O ' ' A' ' 310' ' ' ARG . 6.8 t70 -54.5 -47.12 73.42 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.699 0.285 . . . . 10.0 111.107 -179.556 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 315' ' ' ALA . . . . . 0.58 ' O ' ' HB2' ' A' ' 319' ' ' HIS . . . -61.39 -41.59 97.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.914 -0.585 . . . . 10.0 110.287 179.438 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 316' ' ' LEU . . . . . 0.47 ' HG ' ' HE3' ' D' ' 462' ' ' LYS . 29.1 mt -69.1 -40.27 78.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.989 -0.551 . . . . 10.0 111.273 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 25.2 ttm105 -65.81 -46.99 76.57 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.976 -0.379 . . . . 10.0 109.976 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 88.9 m -64.68 -35.2 80.27 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.637 -0.505 . . . . 10.0 109.637 179.263 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 319' ' ' HIS . . . . . 0.58 ' HB2' ' O ' ' A' ' 315' ' ' ALA . 0.1 OUTLIER -73.24 -32.39 64.7 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.15 -0.477 . . . . 10.0 110.186 179.488 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 320' ' ' LEU . . . . . 0.741 HD21 ' H20' ' D' ' 601' ' ' PCW . 1.4 mt -74.24 -22.73 59.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.789 -0.641 . . . . 10.0 111.807 -179.682 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 321' ' ' ALA . . . . . 0.729 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -54.67 -58.57 13.65 Favored Pre-proline 0 CA--C 1.536 0.411 0 N-CA-C 112.108 0.41 . . . . 10.0 112.108 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 322' ' ' PRO . . . . . 0.729 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 12.7 Cg_exo -73.94 -28.13 11.49 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 121.909 1.739 . . . . 10.0 110.747 178.695 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 323' ' ' TYR . . . . . 0.505 ' HB2' ' HA ' ' A' ' 320' ' ' LEU . 8.4 m-30 -63.99 -51.35 64.72 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.076 -0.511 . . . . 10.0 111.187 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 324' ' ' SER . . . . . 0.469 ' HA ' ' HB2' ' A' ' 327' ' ' LEU . 35.0 p -68.3 -35.85 78.44 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.879 0.371 . . . . 10.0 110.186 179.561 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -59.27 -49.86 76.2 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.399 -0.593 . . . . 10.0 109.399 178.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -72.88 -24.56 60.87 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.696 -0.684 . . . . 10.0 110.768 179.181 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 327' ' ' LEU . . . . . 0.469 ' HB2' ' HA ' ' A' ' 324' ' ' SER . 7.0 mt -64.55 -36.04 82.91 Favored 'General case' 0 CA--C 1.52 -0.188 0 N-CA-C 108.86 -0.793 . . . . 10.0 108.86 177.468 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 328' ' ' ARG . . . . . 0.468 ' HG3' ' O ' ' A' ' 324' ' ' SER . 63.7 mtt180 -65.34 -37.01 85.77 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 108.768 -0.827 . . . . 10.0 108.768 178.122 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -70.32 -37.38 74.7 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.539 -0.755 . . . . 10.0 109.39 178.564 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 330' ' ' ARG . . . . . 0.43 HH21 ' CB ' ' D' ' 447' ' ' GLU . 16.7 mtt-85 -62.91 -47.67 82.25 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 108.342 -0.985 . . . . 10.0 108.342 177.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 48.2 mt -61.15 -41.2 96.33 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 115.074 -0.966 . . . . 10.0 109.687 178.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -60.88 -48.35 82.22 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.017 179.354 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -59.9 -46.21 90.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.458 -0.337 . . . . 10.0 110.519 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -63.3 -45.58 90.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.042 -0.527 . . . . 10.0 109.916 179.268 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 53.8 mt -63.77 -40.95 97.94 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.494 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -62.14 -40.93 97.61 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.71 -0.478 . . . . 10.0 109.71 179.157 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 337' ' ' ALA . . . . . 0.404 ' O ' ' HB3' ' A' ' 341' ' ' ASN . . . -65.89 -40.76 91.86 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.07 -0.715 . . . . 10.0 109.07 178.244 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 338' ' ' LEU . . . . . 0.58 ' O ' ' HA3' ' A' ' 342' ' ' GLY . 83.5 mt -74.6 -7.01 51.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.645 -0.707 . . . . 10.0 110.656 179.324 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 54.3 mttt -96.3 -53.06 3.75 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.507 -0.553 . . . . 10.0 109.507 179.045 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -66.38 -58.54 5.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.927 -0.579 . . . . 10.0 109.831 179.128 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 341' ' ' ASN . . . . . 0.485 ' O ' ' HG3' ' A' ' 345' ' ' ARG . 26.7 t-20 -70.52 -36.2 73.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.716 -0.675 . . . . 10.0 109.698 179.444 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 342' ' ' GLY . . . . . 0.58 ' HA3' ' O ' ' A' ' 338' ' ' LEU . . . -59.27 -44.73 96.28 Favored Glycine 0 C--N 1.335 0.514 0 CA-C-N 115.769 -0.65 . . . . 10.0 111.57 179.334 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -62.16 -39.78 98.1 Favored Glycine 0 N--CA 1.45 -0.381 0 N-CA-C 110.697 -0.961 . . . . 10.0 110.697 178.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -64.37 -40.62 96.2 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.821 -0.437 . . . . 10.0 109.821 178.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 345' ' ' ARG . . . . . 0.485 ' HG3' ' O ' ' A' ' 341' ' ' ASN . 46.8 mtm180 -62.05 -41.38 98.07 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 115.898 -0.592 . . . . 10.0 109.886 178.732 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 70.6 mt -63.27 -49.28 74.67 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.138 -0.483 . . . . 10.0 109.81 179.328 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.41 -41.62 89.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.094 179.206 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 348' ' ' GLU . . . . . 0.431 ' OE1' ' HB2' ' D' ' 429' ' ' ASN . 16.5 mt-10 -65.58 -45.94 81.33 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.867 -0.606 . . . . 10.0 110.147 178.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 5.4 m-30 -60.35 -41.72 94.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.355 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 48.4 m-70 -66.18 -42.2 89.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.481 179.041 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -63.65 -44.04 95.01 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.033 0.444 . . . . 10.0 110.102 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 10.9 mtmm -66.16 -34.67 78.56 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 115.721 -0.672 . . . . 10.0 109.863 178.566 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 353' ' ' ALA . . . . . 0.423 ' O ' ' HG ' ' A' ' 357' ' ' LEU . . . -63.17 -40.31 97.17 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.44 -0.578 . . . . 10.0 109.44 178.674 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 2.6 m -64.28 -35.91 82.37 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.57 -0.53 . . . . 10.0 109.57 178.547 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -66.27 -36.83 84.0 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 109.243 -0.651 . . . . 10.0 109.243 178.602 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 45.2 m-70 -73.26 -27.77 61.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.417 -0.811 . . . . 10.0 109.984 178.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 357' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 353' ' ' ALA . 79.6 mt -74.41 -42.11 59.76 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.992 -0.549 . . . . 10.0 111.664 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 1.4 p -64.85 -43.02 94.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.067 0.461 . . . . 10.0 110.057 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 359' ' ' THR . . . . . 0.579 HG21 ' HG3' ' D' ' 418' ' ' GLN . 4.3 p -71.24 -25.98 62.71 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.932 -0.576 . . . . 10.0 109.558 178.581 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 38.0 tp -69.77 -31.05 68.78 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 108.569 -0.9 . . . . 10.0 108.569 177.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 15.5 m -63.07 -32.43 73.8 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.839 -0.619 . . . . 10.0 109.975 178.493 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -68.55 -22.16 64.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.633 0.73 . . . . 10.0 109.358 179.129 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 363' ' ' LYS . . . . . 0.665 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 92.0 mttt -92.17 -40.77 10.82 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.469 -0.787 . . . . 10.0 109.124 178.656 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -67.64 -35.01 78.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.744 -0.662 . . . . 10.0 112.203 -179.379 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 365' ' ' LYS . . . . . 0.78 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 41.3 mtmt -105.94 -74.42 0.02 OUTLIER Pre-proline 0 C--N 1.327 -0.4 0 N-CA-C 113.497 0.925 . . . . 10.0 113.497 -179.708 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 366' ' ' PRO . . . . . 0.78 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 52.3 Cg_exo -54.66 -49.53 16.48 Favored 'Trans proline' 0 C--N 1.357 0.998 0 C-N-CA 122.324 2.016 . . . . 10.0 113.817 -179.14 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 367' ' ' ALA . . . . . 0.665 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -66.87 -56.95 8.05 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.262 0.468 . . . . 10.0 112.262 -179.479 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 368' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 368' ' ' LEU . 18.3 mt -55.81 -43.14 76.62 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 112.405 0.52 . . . . 10.0 112.405 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -60.69 -51.3 69.94 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.639 -0.504 . . . . 10.0 109.639 179.299 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.52 -39.35 90.7 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.979 -0.555 . . . . 10.0 111.325 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 71.7 mt -61.83 -49.07 77.77 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.961 -0.563 . . . . 10.0 109.9 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -64.24 -36.15 83.15 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.158 -0.473 . . . . 10.0 110.607 179.387 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -65.86 -19.19 65.79 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 121.062 0.458 . . . . 10.0 110.472 178.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -97.75 -32.4 6.26 Favored Glycine 0 N--CA 1.447 -0.609 0 N-CA-C 110.915 -0.874 . . . . 10.0 110.915 178.598 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 84.8 mt -68.84 -35.98 77.6 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 111.653 0.242 . . . . 10.0 111.653 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 20.5 mt -56.26 -59.23 12.52 Favored Pre-proline 0 N--CA 1.468 0.466 0 N-CA-C 112.987 0.736 . . . . 10.0 112.987 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -60.46 -32.82 94.22 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 121.918 1.746 . . . . 10.0 111.029 178.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 25.2 t -67.38 -40.12 84.05 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 N-CA-C 109.586 -0.524 . . . . 10.0 109.586 178.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 20.7 mt -62.54 -40.52 97.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.979 -0.555 . . . . 10.0 109.847 178.587 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 380' ' ' GLU . . . . . 0.494 ' O ' HG23 ' A' ' 384' ' ' VAL . 35.2 mm-40 -61.46 -43.33 99.05 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 109.323 -0.621 . . . . 10.0 109.323 178.381 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 12.3 m -64.65 -38.81 92.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.733 -0.667 . . . . 10.0 109.684 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -68.11 -35.77 78.67 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.809 -0.632 . . . . 10.0 110.586 178.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 383' ' ' LYS . . . . . 0.415 ' O ' ' HG ' ' A' ' 387' ' ' LEU . 87.9 mttt -59.5 -47.71 84.47 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 109.354 -0.61 . . . . 10.0 109.354 178.442 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 384' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 380' ' ' GLU . 34.7 t -60.71 -48.16 89.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.66 -0.7 . . . . 10.0 109.337 178.658 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 15.3 m -57.83 -41.3 82.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.732 -0.667 . . . . 10.0 110.852 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -64.24 -44.19 92.61 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.424 179.079 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 387' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 383' ' ' LYS . 94.8 mt -58.29 -50.41 73.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.479 -0.782 . . . . 10.0 110.775 -179.687 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 388' ' ' SER . . . . . 0.881 ' HB2' ' HG2' ' D' ' 594' ' ' LYS . 2.0 p -67.21 -38.26 84.99 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 116.21 -0.45 . . . . 10.0 111.475 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -63.2 -48.17 79.46 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 120.598 0.237 . . . . 10.0 110.9 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 54.8 mt -60.56 -43.29 97.44 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.247 -0.433 . . . . 10.0 109.935 179.547 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -61.86 -50.09 73.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.525 -0.761 . . . . 10.0 110.623 179.317 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 392' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' ' 388' ' ' SER . 49.5 mm-40 -54.45 -56.08 22.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.109 -0.496 . . . . 10.0 111.945 -179.527 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -57.21 -43.35 82.67 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.586 0.587 . . . . 10.0 112.586 -179.018 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 10.9 m -73.36 -29.74 62.85 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.467 0.543 . . . . 10.0 112.467 -179.398 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 41.1 mtmt -70.53 -36.63 73.83 Favored 'General case' 0 N--CA 1.464 0.228 0 O-C-N 122.272 -0.268 . . . . 10.0 111.705 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 3.3 mptt -87.71 -46.39 9.53 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.779 0.659 . . . . 10.0 112.779 -179.168 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 75.4 mt -76.55 -26.16 54.84 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.071 0.767 . . . . 10.0 113.071 -178.651 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 54.8 t30 . . . . . 0 C--N 1.327 -0.385 0 N-CA-C 112.08 0.4 . . . . 10.0 112.08 -178.959 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 2.9 mm? . . . . . 0 CA--C 1.523 -0.075 0 CA-C-O 121.517 0.675 . . . . 10.0 110.467 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -86.37 19.15 2.87 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.407 -0.815 . . . . 10.0 110.221 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 22.6 mt -61.59 -48.91 78.81 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.242 -0.89 . . . . 10.0 110.971 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 91.5 mt -66.95 -34.18 77.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.793 0.33 . . . . 10.0 111.126 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -62.33 -49.96 73.54 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.568 -0.53 . . . . 10.0 109.568 179.07 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -68.74 -40.95 79.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.424 -0.807 . . . . 10.0 110.235 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 12.6 t90 -55.57 -42.23 74.41 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.672 -0.695 . . . . 10.0 110.427 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -61.07 -50.29 73.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.052 -0.522 . . . . 10.0 111.161 179.484 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 19.6 m -60.53 -41.39 94.37 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.463 -0.335 . . . . 10.0 111.187 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 88.5 t -65.26 -45.8 92.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.814 0.34 . . . . 10.0 110.377 179.385 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 409' ' ' THR . . . . . 0.536 ' HA ' ' HD2' ' D' ' 412' ' ' PHE . 20.5 m -64.25 -34.25 77.68 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.914 -0.402 . . . . 10.0 109.914 179.065 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 68.7 m -67.62 -27.22 66.71 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.466 -0.568 . . . . 10.0 109.466 178.263 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 24.1 m -69.72 -35.81 75.35 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.385 -0.969 . . . . 10.0 108.385 177.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 412' ' ' PHE . . . . . 0.536 ' HD2' ' HA ' ' D' ' 409' ' ' THR . 25.7 m-85 -66.26 -35.93 81.68 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 108.929 -0.767 . . . . 10.0 108.929 178.145 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 3.4 m -64.3 -38.78 92.26 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 108.608 -0.886 . . . . 10.0 108.608 177.533 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 414' ' ' LYS . . . . . 0.422 ' HD3' ' HA ' ' D' ' 414' ' ' LYS . 47.0 mmtt -64.58 -34.19 77.68 Favored 'General case' 0 CA--C 1.522 -0.117 0 CA-C-N 115.912 -0.585 . . . . 10.0 109.474 178.614 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 415' ' ' LEU . . . . . 0.471 ' O ' ' HG ' ' D' ' 419' ' ' LEU . 76.4 mt -65.98 -39.57 90.47 Favored 'General case' 0 N--CA 1.453 -0.325 0 N-CA-C 108.913 -0.773 . . . . 10.0 108.913 178.447 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 36.4 mtt180 -69.26 -34.15 74.33 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.72 -0.673 . . . . 10.0 110.136 178.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -62.41 -29.65 70.65 Favored 'General case' 0 C--O 1.227 -0.103 0 N-CA-C 109.306 -0.627 . . . . 10.0 109.306 177.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 418' ' ' GLN . . . . . 0.579 ' HG3' HG21 ' A' ' 359' ' ' THR . 35.0 mt-30 -83.45 -52.96 6.06 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.734 -0.839 . . . . 10.0 108.734 178.568 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 419' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' D' ' 415' ' ' LEU . 87.5 mt -44.81 -47.94 10.98 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 115.28 -0.873 . . . . 10.0 112.87 -179.019 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -50.41 -79.16 0.08 OUTLIER Glycine 0 CA--C 1.523 0.535 0 C-N-CA 121.126 -0.559 . . . . 10.0 113.326 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -57.3 -39.84 86.8 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.872 2.381 . . . . 10.0 112.649 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 37.2 t -60.02 -50.68 79.23 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.198 0 N-CA-C 112.434 0.531 . . . . 10.0 112.434 -179.151 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 423' ' ' THR . . . . . 0.555 ' HA ' ' HB3' ' D' ' 426' ' ' PHE . 59.9 p -65.98 -30.49 71.05 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 120.51 -0.476 . . . . 10.0 111.74 -179.567 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -59.84 -45.32 92.79 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 120.963 0.411 . . . . 10.0 110.293 179.115 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -86.62 -21.67 26.63 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.791 178.595 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 426' ' ' PHE . . . . . 0.555 ' HB3' ' HA ' ' D' ' 423' ' ' THR . 49.7 t80 -64.81 -41.36 95.84 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.58 -0.896 . . . . 10.0 108.58 178.368 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 21.1 m0 -69.73 -37.3 76.45 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.792 -0.818 . . . . 10.0 108.792 178.518 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 428' ' ' ASP . . . . . 0.474 ' O ' ' HB2' ' D' ' 432' ' ' LYS . 32.2 t70 -63.41 -38.89 92.91 Favored 'General case' 0 CA--C 1.519 -0.227 0 N-CA-C 108.683 -0.858 . . . . 10.0 108.683 178.259 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 429' ' ' ASN . . . . . 0.431 ' HB2' ' OE1' ' A' ' 348' ' ' GLU . 4.8 t30 -66.56 -48.34 69.96 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.327 -0.851 . . . . 10.0 109.197 178.097 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 58.0 mt -56.18 -50.54 70.9 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.395 179.466 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -59.48 -44.38 93.05 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.077 -0.511 . . . . 10.0 109.819 179.145 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 432' ' ' LYS . . . . . 0.511 ' HB2' ' HZ2' ' D' ' 432' ' ' LYS . 0.8 OUTLIER -58.15 -46.73 85.15 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.806 -0.634 . . . . 10.0 110.229 178.938 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -60.9 -53.7 54.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.45 -0.795 . . . . 10.0 110.47 179.379 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 6.0 p -59.22 -38.8 80.82 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-N 116.475 -0.33 . . . . 10.0 111.591 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -65.5 -43.89 88.74 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 116.821 -0.172 . . . . 10.0 110.837 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -67.16 -39.64 92.58 Favored Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 110.611 -0.996 . . . . 10.0 110.611 178.561 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 437' ' ' LEU . . . . . 0.459 ' O ' ' HG3' ' D' ' 440' ' ' GLU . 94.0 mt -68.62 -28.17 66.67 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-O 120.738 0.304 . . . . 10.0 110.942 179.174 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 43.9 mtt180 -66.91 -25.13 66.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.575 -0.284 . . . . 10.0 111.189 179.339 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -70.84 -48.06 55.99 Favored 'General case' 0 C--O 1.232 0.169 0 N-CA-C 109.559 -0.534 . . . . 10.0 109.559 178.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 440' ' ' GLU . . . . . 0.567 ' O ' ' HB2' ' D' ' 444' ' ' ASP . 0.0 OUTLIER -73.98 -26.11 60.28 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.242 178.908 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 441' ' ' MET . . . . . 0.416 ' HB2' ' O ' ' D' ' 437' ' ' LEU . 5.8 mmm -71.22 -44.6 65.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.914 -0.585 . . . . 10.0 111.8 179.625 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 10.8 p -61.91 -45.34 94.16 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.32 -0.622 . . . . 10.0 109.32 179.367 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 4.3 mtpp -65.35 -39.47 92.38 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.472 -0.786 . . . . 10.0 109.994 178.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 444' ' ' ASP . . . . . 0.567 ' HB2' ' O ' ' D' ' 440' ' ' GLU . 3.0 t70 -61.0 -51.96 67.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.399 179.605 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 73.6 mt -60.18 -50.3 74.23 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.28 0.474 . . . . 10.0 112.28 -179.609 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -63.98 -41.03 97.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.644 0.259 . . . . 10.0 111.166 -179.453 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 447' ' ' GLU . . . . . 0.43 ' CB ' HH21 ' A' ' 330' ' ' ARG . 20.2 mt-10 -66.11 -38.02 87.17 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 109.755 -0.461 . . . . 10.0 109.755 178.635 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 2.3 t -58.31 -44.3 87.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.014 -0.539 . . . . 10.0 109.608 178.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -65.81 -31.06 71.81 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.068 -0.515 . . . . 10.0 110.885 179.504 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -89.72 -8.22 52.81 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.609 0.596 . . . . 10.0 112.609 -179.157 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 451' ' ' LYS . . . . . 0.465 ' O ' ' HB2' ' D' ' 455' ' ' TYR . 54.2 mttm -114.02 -44.61 3.13 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.042 0.386 . . . . 10.0 112.042 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 55.9 t -62.63 -38.91 82.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.496 -0.32 . . . . 10.0 111.155 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -58.8 -60.16 11.35 Favored Pre-proline 0 C--N 1.33 -0.262 0 N-CA-C 112.485 0.55 . . . . 10.0 112.485 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -63.85 -25.7 67.6 Favored 'Trans proline' 0 C--N 1.353 0.814 0 C-N-CA 121.965 1.777 . . . . 10.0 111.435 178.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 455' ' ' TYR . . . . . 0.465 ' HB2' ' O ' ' D' ' 451' ' ' LYS . 1.5 t80 -72.59 -40.02 66.89 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.027 -0.731 . . . . 10.0 109.027 178.852 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 34.2 mt -66.99 -35.5 80.09 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 109.083 -0.71 . . . . 10.0 109.083 178.307 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -69.7 -41.62 75.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.374 -0.83 . . . . 10.0 109.339 178.602 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -62.4 -44.62 96.02 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 108.544 -0.909 . . . . 10.0 108.544 177.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 459' ' ' PHE . . . . . 0.54 ' CE2' H281 ' D' ' 602' ' ' PCW . 1.2 m-30 -64.7 -40.84 96.06 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.322 -0.854 . . . . 10.0 109.966 178.147 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 460' ' ' GLN . . . . . 0.508 ' O ' ' HB2' ' D' ' 464' ' ' GLN . 6.3 mt-30 -58.45 -40.61 83.09 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.317 179.231 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 461' ' ' LYS . . . . . 0.406 ' O ' ' HG3' ' D' ' 465' ' ' GLU . 51.9 mttt -68.42 -42.89 78.27 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.302 179.17 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 462' ' ' LYS . . . . . 1.047 ' HD2' H283 ' D' ' 602' ' ' PCW . 2.1 ttmm -65.44 -45.34 84.2 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.892 -0.595 . . . . 10.0 110.345 179.705 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 463' ' ' TRP . . . . . 0.573 ' HE1' ' H77' ' D' ' 629' ' ' 17F . 50.1 m0 -68.45 -30.1 68.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.019 178.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 464' ' ' GLN . . . . . 0.508 ' HB2' ' O ' ' D' ' 460' ' ' GLN . 44.2 tt0 -65.73 -49.12 69.61 Favored 'General case' 0 CA--C 1.514 -0.419 0 N-CA-C 108.272 -1.01 . . . . 10.0 108.272 178.27 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 465' ' ' GLU . . . . . 0.734 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 77.5 mt-10 -61.89 -44.95 95.76 Favored 'General case' 0 C--O 1.223 -0.342 0 N-CA-C 108.449 -0.945 . . . . 10.0 108.449 177.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 31.1 tp10 -54.26 -47.84 71.84 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.478 -0.783 . . . . 10.0 110.196 179.398 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 66.9 mtm -65.72 -42.7 90.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.048 -0.524 . . . . 10.0 110.398 179.456 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -61.84 -38.27 87.58 Favored 'General case' 0 C--N 1.334 -0.075 0 N-CA-C 109.487 -0.56 . . . . 10.0 109.487 178.328 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 469' ' ' LEU . . . . . 0.734 ' HG ' ' O ' ' D' ' 465' ' ' GLU . 77.2 mt -61.25 -40.51 94.34 Favored 'General case' 0 C--O 1.218 -0.574 0 N-CA-C 109.351 -0.611 . . . . 10.0 109.351 178.369 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 23.4 m-30 -65.17 -32.06 73.56 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.588 179.478 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 471' ' ' ARG . . . . . 0.477 ' HA ' ' HG3' ' D' ' 475' ' ' GLU . 99.4 mtt180 -71.98 -27.22 62.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 10.0 110.011 178.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -103.39 4.66 36.48 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.01 -0.541 . . . . 10.0 111.294 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 473' ' ' LYS . . . . . 0.77 ' HG2' HD13 ' A' ' 301' ' ' LEU . 82.3 mttt -131.57 -73.29 0.53 Allowed 'General case' 0 C--O 1.221 -0.402 0 CA-C-N 116.473 -0.331 . . . . 10.0 110.681 179.421 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 474' ' ' VAL . . . . . 0.529 ' O ' ' HB2' ' D' ' 478' ' ' ARG . 95.5 t -52.07 -44.55 39.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.445 -0.343 . . . . 10.0 111.736 -179.627 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 475' ' ' GLU . . . . . 0.477 ' HG3' ' HA ' ' D' ' 471' ' ' ARG . 4.8 mm-40 -59.68 -61.53 7.7 Favored Pre-proline 0 CA--C 1.537 0.468 0 N-CA-C 112.786 0.661 . . . . 10.0 112.786 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -64.23 -36.23 47.56 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 121.592 1.528 . . . . 10.0 112.049 178.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 65.4 mt -65.67 -37.1 85.56 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 110.103 -0.332 . . . . 10.0 110.103 179.081 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 478' ' ' ARG . . . . . 0.529 ' HB2' ' O ' ' D' ' 474' ' ' VAL . 1.2 ttt180 -63.32 -33.18 74.96 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 109.573 -0.528 . . . . 10.0 109.573 178.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -74.02 -46.59 42.56 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.868 -0.605 . . . . 10.0 109.485 179.004 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.79 -44.46 96.79 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.4 0.619 . . . . 10.0 109.772 178.71 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 63.4 mt -68.13 -33.34 74.31 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.656 -0.702 . . . . 10.0 110.46 179.268 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -67.5 -45.42 75.86 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.319 -0.623 . . . . 10.0 109.319 178.651 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -64.88 -44.18 90.51 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.805 -0.634 . . . . 10.0 109.382 178.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -64.54 -34.33 89.61 Favored Glycine 0 N--CA 1.45 -0.425 0 N-CA-C 111.212 -0.755 . . . . 10.0 111.212 178.441 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -68.73 -39.5 80.37 Favored 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 109.291 -0.633 . . . . 10.0 109.291 178.329 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 83.8 mtt180 -63.65 -36.84 85.17 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 108.883 -0.784 . . . . 10.0 108.883 178.627 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -67.43 -43.41 81.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.481 -0.781 . . . . 10.0 108.935 177.673 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 488' ' ' LYS . . . . . 0.407 ' O ' ' HG ' ' D' ' 492' ' ' LEU . 84.0 tttt -62.96 -39.79 95.73 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.805 -0.634 . . . . 10.0 109.597 178.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 84.2 mt -66.16 -38.34 87.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.702 -0.681 . . . . 10.0 109.266 178.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 9.0 t-160 -63.38 -42.85 98.86 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 108.775 -0.824 . . . . 10.0 108.775 178.635 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -58.79 -44.52 90.73 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 108.841 -0.8 . . . . 10.0 108.841 178.109 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 492' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' D' ' 488' ' ' LYS . 92.0 mt -64.59 -42.91 95.28 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.31 -0.859 . . . . 10.0 110.66 179.633 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -59.95 -38.62 83.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.002 0.43 . . . . 10.0 110.827 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 -75.27 -0.98 21.41 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 115.88 -0.6 . . . . 10.0 111.189 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 495' ' ' LYS . . . . . 0.592 ' O ' ' HB2' ' D' ' 499' ' ' LEU . 18.9 mttp -116.7 -43.17 2.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.761 0.315 . . . . 10.0 110.724 179.018 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 496' ' ' LEU . . . . . 0.552 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 78.1 mt -65.04 -20.07 66.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.257 -0.428 . . . . 10.0 111.601 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 497' ' ' SER . . . . . 0.541 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 7.9 m -83.28 -67.08 0.2 Allowed Pre-proline 0 C--N 1.326 -0.429 0 N-CA-C 111.847 0.314 . . . . 10.0 111.847 179.001 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 498' ' ' PRO . . . . . 0.541 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 36.6 Cg_endo -65.57 -51.01 1.53 Allowed 'Trans proline' 0 C--N 1.357 1.002 0 C-N-CA 121.6 1.533 . . . . 10.0 112.136 179.74 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 499' ' ' LEU . . . . . 0.592 ' HB2' ' O ' ' D' ' 495' ' ' LYS . 58.1 mt -70.05 -28.85 65.8 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 109.9 -0.408 . . . . 10.0 109.9 179.513 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 500' ' ' GLY . . . . . 0.552 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -65.21 -53.1 35.09 Favored Glycine 0 N--CA 1.445 -0.749 0 N-CA-C 110.53 -1.028 . . . . 10.0 110.53 178.746 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -63.9 -35.77 81.74 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.899 -0.408 . . . . 10.0 109.899 179.024 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 502' ' ' GLU . . . . . 0.502 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 27.9 tt0 -63.74 -47.16 82.16 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.787 -0.642 . . . . 10.0 109.69 178.403 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 503' ' ' MET . . . . . 0.511 ' HA ' ' HD2' ' D' ' 506' ' ' ARG . 79.2 mmm -62.51 -37.02 84.42 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 178.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 504' ' ' ARG . . . . . 0.507 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 77.3 mtt180 -66.16 -42.5 88.91 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.243 -0.651 . . . . 10.0 109.243 178.698 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -66.89 -37.52 84.53 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.87 -0.605 . . . . 10.0 109.87 179.164 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 506' ' ' ARG . . . . . 0.511 ' HD2' ' HA ' ' D' ' 503' ' ' MET . 60.6 mtt180 -59.82 -48.12 82.98 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 107.871 -1.159 . . . . 10.0 107.871 177.578 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -63.72 -35.73 81.53 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.027 -0.988 . . . . 10.0 110.243 179.233 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 508' ' ' ARG . . . . . 0.513 ' O ' ' HB2' ' D' ' 512' ' ' ASP . 48.6 mtt180 -61.3 -48.89 79.31 Favored 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 108.693 -0.854 . . . . 10.0 108.693 178.537 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -64.69 -37.08 86.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.413 179.646 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 510' ' ' HIS . . . . . 0.443 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 4.0 m-70 -62.66 -53.73 50.08 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.377 179.039 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 62.0 t -66.79 -35.16 74.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.688 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 512' ' ' ASP . . . . . 0.513 ' HB2' ' O ' ' D' ' 508' ' ' ARG . 8.0 t0 -60.66 -44.0 96.95 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.194 -0.669 . . . . 10.0 109.194 178.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -70.63 -43.45 69.24 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.351 -0.841 . . . . 10.0 109.66 178.616 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 514' ' ' LEU . . . . . 0.603 ' HA ' ' HB2' ' D' ' 517' ' ' HIS . 74.1 mt -59.03 -34.5 71.98 Favored 'General case' 0 C--O 1.225 -0.191 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.375 179.568 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 515' ' ' ARG . . . . . . . . . . . . . 6.3 mtm105 -66.88 -20.77 65.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.402 0.62 . . . . 10.0 110.135 178.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.89 11.33 22.34 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.631 -0.713 . . . . 10.0 109.29 179.037 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 517' ' ' HIS . . . . . 0.603 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 17.5 m170 -118.67 -59.6 1.85 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.415 -0.811 . . . . 10.0 110.181 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 69.0 mt -72.93 -50.57 22.79 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.748 -0.66 . . . . 10.0 111.977 -178.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 519' ' ' ALA . . . . . 0.689 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -54.81 -57.46 19.15 Favored Pre-proline 0 C--N 1.329 -0.293 0 N-CA-C 112.156 0.428 . . . . 10.0 112.156 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 520' ' ' PRO . . . . . 0.689 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 53.2 Cg_exo -60.23 -33.63 94.6 Favored 'Trans proline' 0 C--N 1.357 1.002 0 C-N-CA 122.115 1.877 . . . . 10.0 111.456 178.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 521' ' ' TYR . . . . . 0.535 ' HA ' ' OE1' ' D' ' 524' ' ' GLU . 14.2 t80 -70.6 -36.11 73.35 Favored 'General case' 0 CA--C 1.518 -0.262 0 C-N-CA 120.783 -0.367 . . . . 10.0 110.202 179.464 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 49.2 m -65.97 -30.12 70.63 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.137 -0.69 . . . . 10.0 109.137 178.555 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.24 -41.41 90.04 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.648 -0.871 . . . . 10.0 108.648 178.392 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 524' ' ' GLU . . . . . 0.535 ' OE1' ' HA ' ' D' ' 521' ' ' TYR . 5.6 mt-10 -72.58 -33.46 66.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.44 -0.8 . . . . 10.0 109.386 178.302 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 53.9 mt -65.6 -33.97 77.14 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 115.587 -0.733 . . . . 10.0 109.224 177.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 526' ' ' ARG . . . . . . . . . . . . . 52.4 mtt180 -62.87 -33.8 76.03 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.311 178.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -70.56 -43.94 68.44 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.106 -0.701 . . . . 10.0 109.106 178.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 528' ' ' ARG . . . . . 0.617 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 62.2 mtt180 -65.7 -40.09 91.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.529 -0.76 . . . . 10.0 109.507 179.04 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 23.0 mt -65.62 -38.84 90.57 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.631 -0.713 . . . . 10.0 109.858 178.339 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -60.94 -45.42 94.77 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.802 -0.444 . . . . 10.0 109.802 179.071 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -68.19 -42.68 79.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.963 -0.562 . . . . 10.0 109.957 178.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 34.7 ttm180 -60.4 -49.37 77.86 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.746 -0.661 . . . . 10.0 109.986 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 82.9 mt -65.32 -36.81 85.2 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.388 179.39 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -59.48 -47.36 85.81 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.889 -0.782 . . . . 10.0 108.889 179.041 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -65.89 -45.6 81.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.691 -0.686 . . . . 10.0 110.509 178.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 69.3 mt -59.64 -40.32 87.27 Favored 'General case' 0 C--O 1.226 -0.152 0 CA-C-N 116.372 -0.376 . . . . 10.0 111.529 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 537' ' ' LYS . . . . . 0.431 ' HE3' ' HB2' ' D' ' 537' ' ' LYS . 19.1 mtmt -72.57 -39.36 67.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.759 0.314 . . . . 10.0 110.406 179.147 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -64.96 -54.45 30.35 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.497 179.692 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -67.94 -33.1 74.03 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.438 -0.578 . . . . 10.0 109.438 179.433 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 540' ' ' GLY . . . . . 0.466 ' O ' ' HG ' ' D' ' 544' ' ' LEU . . . -63.27 -45.79 94.4 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 111.33 -0.708 . . . . 10.0 111.33 179.292 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -60.01 -42.46 98.38 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.671 -0.776 . . . . 10.0 111.194 179.055 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -66.75 -49.72 65.04 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.733 -0.469 . . . . 10.0 109.733 178.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 543' ' ' ARG . . . . . 0.443 ' O ' ' HB2' ' D' ' 547' ' ' TYR . 49.2 mtt85 -58.05 -37.24 74.04 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.922 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 544' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' D' ' 540' ' ' GLY . 74.2 mt -62.29 -47.44 84.28 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.937 -0.394 . . . . 10.0 109.937 178.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -63.27 -43.71 97.18 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.869 -0.605 . . . . 10.0 109.728 179.204 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -63.75 -46.67 84.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.396 179.019 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 547' ' ' TYR . . . . . 0.443 ' HB2' ' O ' ' D' ' 543' ' ' ARG . 0.9 OUTLIER -60.16 -43.97 95.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.453 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -64.24 -42.88 96.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.94 -0.573 . . . . 10.0 109.782 178.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -61.52 -47.78 84.02 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.579 -0.526 . . . . 10.0 109.579 178.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.17 -37.16 84.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.787 -0.642 . . . . 10.0 109.86 179.029 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -66.73 -34.3 77.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.193 178.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 5.7 m -69.5 -39.2 77.76 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.352 -0.61 . . . . 10.0 109.352 178.555 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -68.01 -43.63 78.39 Favored 'General case' 0 C--O 1.231 0.128 0 N-CA-C 108.391 -0.966 . . . . 10.0 108.391 177.662 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 554' ' ' HIS . . . . . 0.585 ' O ' ' HG ' ' D' ' 558' ' ' LEU . 15.8 t60 -60.9 -39.26 88.65 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.08 -0.964 . . . . 10.0 109.097 179.15 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 555' ' ' LEU . . . . . 0.618 ' HA ' HD12 ' D' ' 558' ' ' LEU . 42.4 tp -62.57 -41.32 98.85 Favored 'General case' 0 CA--C 1.521 -0.138 0 CA-C-N 115.55 -0.75 . . . . 10.0 109.934 178.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 68.8 m -63.16 -43.28 98.75 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.275 -0.639 . . . . 10.0 109.275 178.352 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 6.3 m -64.2 -38.26 90.41 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.983 -0.553 . . . . 10.0 109.533 178.383 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 558' ' ' LEU . . . . . 0.618 HD12 ' HA ' ' D' ' 555' ' ' LEU . 92.4 mt -58.29 -53.36 59.13 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 115.896 -0.593 . . . . 10.0 109.96 179.121 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.86 -39.51 83.75 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 123.226 0.329 . . . . 10.0 110.898 -179.705 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -59.96 -30.1 68.87 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 115.757 -0.656 . . . . 10.0 111.381 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.16 -37.44 9.31 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 111.72 0.267 . . . . 10.0 111.72 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -62.75 -42.9 99.89 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 112.714 0.635 . . . . 10.0 112.714 -179.059 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -54.61 -61.36 5.78 Favored Pre-proline 0 C--O 1.236 0.39 0 N-CA-C 112.136 0.421 . . . . 10.0 112.136 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -64.64 -35.27 48.05 Favored 'Trans proline' 0 C--N 1.358 1.047 0 C-N-CA 121.854 1.703 . . . . 10.0 111.88 179.194 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -62.2 -50.92 69.86 Favored 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 110.145 -0.317 . . . . 10.0 110.145 179.497 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 81.0 mt -63.32 -40.68 98.01 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 110.022 -0.362 . . . . 10.0 110.022 179.194 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.87 -53.38 58.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.14 0.495 . . . . 10.0 110.049 178.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -65.19 -35.99 82.8 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.715 -0.675 . . . . 10.0 111.084 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 11.3 mt -61.72 -46.35 90.01 Favored 'General case' 0 C--O 1.221 -0.42 0 N-CA-C 109.402 -0.592 . . . . 10.0 109.402 178.589 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 570' ' ' ARG . . . . . 0.461 ' O ' ' HG ' ' D' ' 574' ' ' LEU . 64.9 mtt180 -65.64 -43.32 89.82 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.472 179.433 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -70.82 -15.38 62.65 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.38 -0.373 . . . . 10.0 111.092 179.445 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -98.19 -38.71 3.96 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.854 -0.689 . . . . 10.0 111.664 179.619 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 65.0 mt -65.53 -34.42 78.21 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.017 -0.091 . . . . 10.0 111.179 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 574' ' ' LEU . . . . . 0.527 ' O ' ' HG2' ' D' ' 578' ' ' GLU . 76.7 mt -54.68 -63.23 3.03 Favored Pre-proline 0 CA--C 1.535 0.388 0 N-CA-C 112.14 0.422 . . . . 10.0 112.14 179.534 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -62.49 -35.05 73.69 Favored 'Trans proline' 0 C--N 1.356 0.939 0 C-N-CA 121.677 1.585 . . . . 10.0 111.476 179.556 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 20.7 t -63.28 -45.97 96.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.442 -0.344 . . . . 10.0 110.274 179.548 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 577' ' ' LEU . . . . . 0.423 ' O ' ' HG3' ' D' ' 581' ' ' LYS . 55.5 mt -62.37 -42.02 99.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.517 -0.31 . . . . 10.0 110.208 179.27 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 578' ' ' GLU . . . . . 0.527 ' HG2' ' O ' ' D' ' 574' ' ' LEU . 8.3 mm-40 -62.86 -44.7 95.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 10.0 109.817 179.074 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 45.2 m -63.64 -39.89 95.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.895 -0.593 . . . . 10.0 109.813 178.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -63.83 -35.82 81.87 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 115.826 -0.625 . . . . 10.0 110.625 179.02 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 581' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' D' ' 577' ' ' LEU . 90.8 mttt -65.26 -40.91 94.57 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.728 -0.471 . . . . 10.0 109.728 178.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 90.7 t -61.34 -43.18 96.14 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.292 179.387 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.84 -39.56 69.67 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.126 179.754 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -67.53 -45.93 74.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.696 -0.229 . . . . 10.0 111.156 179.504 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 13.0 mt -57.04 -46.23 82.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.464 -0.335 . . . . 10.0 110.649 179.513 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 8.7 p -69.97 -38.61 76.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.219 -0.446 . . . . 10.0 111.13 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -63.94 -55.66 20.92 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.342 -0.39 . . . . 10.0 110.613 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 88.0 mt -60.53 -38.11 83.37 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 123.238 0.336 . . . . 10.0 111.84 -179.324 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -66.4 -54.48 23.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.955 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -64.65 -32.88 74.73 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.103 -0.498 . . . . 10.0 111.755 -179.585 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -63.99 -41.25 97.56 Favored 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 109.745 -0.465 . . . . 10.0 109.745 178.463 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 46.5 m -67.27 -29.34 68.92 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.192 0.52 . . . . 10.0 110.23 179.482 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -74.33 -48.38 28.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.977 -0.556 . . . . 10.0 111.256 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 594' ' ' LYS . . . . . 0.881 ' HG2' ' HB2' ' A' ' 388' ' ' SER . 10.6 mptt -73.85 -34.23 64.42 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.254 -0.43 . . . . 10.0 111.941 -179.186 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 36.4 mt -106.25 54.65 0.68 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.041 0.448 . . . . 10.0 110.298 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 . . . . . 0 C--N 1.323 -0.583 0 CA-C-N 115.98 -0.555 . . . . 10.0 111.24 -179.661 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 2.3 m . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.864 0.364 . . . . 10.0 110.38 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' THR . . . . . 0.543 ' HB ' ' CE2' ' B' ' 4' ' ' TYR . 0.3 OUTLIER -94.42 124.29 38.35 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.523 -0.308 . . . . 10.0 110.785 -179.652 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -89.99 138.76 31.23 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.015 -0.735 . . . . 10.0 109.015 178.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' TYR . . . . . 0.543 ' CE2' ' HB ' ' B' ' 2' ' ' THR . 98.4 m-85 -129.36 117.71 21.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 123.239 0.337 . . . . 10.0 110.595 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.499 ' HA ' ' HB3' ' B' ' 54' ' ' ASP . 31.8 mttm -81.95 106.9 14.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.114 0.483 . . . . 10.0 110.879 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.525 ' O ' ' HA ' ' B' ' 55' ' ' ILE . 12.4 mt -110.11 121.84 46.2 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.634 -0.712 . . . . 10.0 110.621 -179.345 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 49.0 t -109.81 124.77 66.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 120.715 0.293 . . . . 10.0 110.564 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.63 HG12 ' HD2' ' B' ' 16' ' ' LYS . 22.4 t -88.29 121.22 38.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.141 -0.689 . . . . 10.0 109.141 179.508 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 31.7 m -122.52 156.77 27.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.292 -0.413 . . . . 10.0 111.176 -178.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 147.59 177.43 22.02 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.854 -0.688 . . . . 10.0 112.039 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.81 -175.21 0.85 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.392 0.615 . . . . 10.0 112.054 -179.339 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.639 ' HA ' ' O1B' ' B' ' 201' ' ' GSP . 2.7 p-10 -92.19 146.69 23.52 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.85 -0.614 . . . . 10.0 111.649 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 13' ' ' GLY . . . . . 0.96 ' HA2' H5'1 ' B' ' 201' ' ' GSP . . . 65.51 25.64 71.53 Favored Glycine 0 CA--C 1.523 0.565 0 CA-C-N 115.497 -0.774 . . . . 10.0 113.953 179.601 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 27.8 m -95.27 -22.16 5.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 117.338 0.569 . . . . 10.0 112.067 -179.637 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' GLY . . . . . 0.617 ' HA2' ' H8 ' ' B' ' 201' ' ' GSP . . . 121.28 13.64 5.25 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.838 -0.696 . . . . 10.0 113.197 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.63 ' HD2' HG12 ' B' ' 8' ' ' VAL . 24.3 mtmm -59.95 -47.32 86.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.082 0.468 . . . . 10.0 111.182 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 17' ' ' SER . . . . . 0.445 ' HB2' ' PA ' ' B' ' 201' ' ' GSP . 1.0 OUTLIER -72.24 -39.41 68.49 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.015 -179.741 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.61 -55.18 37.68 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.942 -0.572 . . . . 10.0 112.177 -179.299 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.526 HD23 ' HB2' ' B' ' 146' ' ' ALA . 38.5 mt -57.97 -47.88 81.64 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.015 0.376 . . . . 10.0 112.015 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 19.4 m -61.68 -47.16 86.59 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.62 -179.538 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 87.6 mt -65.21 -32.36 57.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.813 0.34 . . . . 10.0 110.83 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' GLN . . . . . 0.721 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 0.4 OUTLIER -66.12 -32.69 74.29 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-O 121.052 0.454 . . . . 10.0 110.508 179.081 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 13.4 tp -77.95 -31.73 51.05 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.786 -0.366 . . . . 10.0 111.303 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 34.8 mm -89.6 -61.39 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 112.786 0.661 . . . . 10.0 112.786 -178.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' GLN . . . . . 0.518 ' HB2' ' HD2' ' B' ' 27' ' ' HIS . 53.2 mt-30 -85.12 -13.94 48.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.758 0.313 . . . . 10.0 111.799 -178.601 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 26' ' ' ASN . . . . . 0.721 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 1.1 t-20 60.79 45.69 9.67 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 112.935 0.717 . . . . 10.0 112.935 178.855 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 27' ' ' HIS . . . . . 0.518 ' HD2' ' HB2' ' B' ' 25' ' ' GLN . 2.1 p80 -150.5 157.88 43.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.54 -0.3 . . . . 10.0 110.942 179.478 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -91.94 120.84 32.98 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.619 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.402 HG22 ' H ' ' B' ' 29' ' ' VAL . 0.8 OUTLIER -84.26 122.89 38.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.425 -0.352 . . . . 10.0 110.285 179.392 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -86.83 -33.35 19.87 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.345 -179.405 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -84.93 148.53 26.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.28 -0.418 . . . . 10.0 110.076 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' TYR . . . . . 0.894 ' CD1' H5'2 ' B' ' 201' ' ' GSP . 14.9 t80 -93.36 127.34 38.93 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.904 0.383 . . . . 10.0 110.581 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 33' ' ' ASP . . . . . 0.42 ' HA ' ' HD3' ' B' ' 34' ' ' PRO . 16.2 t70 -119.78 111.55 35.86 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.393 -0.367 . . . . 10.0 111.149 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 34' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' B' ' 33' ' ' ASP . 24.8 Cg_exo -65.54 107.63 1.07 Allowed 'Trans proline' 0 N--CA 1.463 -0.272 0 C-N-CA 122.718 2.278 . . . . 10.0 109.648 178.698 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.452 ' OG1' ' O3G' ' B' ' 201' ' ' GSP . 1.3 m -84.46 135.91 34.06 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.333 -0.394 . . . . 10.0 111.861 -178.614 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 20.9 mm -95.38 -52.74 9.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 107.652 -1.24 . . . . 10.0 107.652 178.294 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -174.66 95.73 0.08 Allowed 'General case' 0 C--O 1.234 0.255 0 CA-C-N 114.7 -1.136 . . . . 10.0 108.979 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -114.45 148.76 37.3 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.655 -0.248 . . . . 10.0 110.502 -178.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -129.23 135.58 48.99 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.827 0.346 . . . . 10.0 111.638 -179.251 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -130.61 138.29 50.04 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.231 -0.44 . . . . 10.0 111.148 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.455 ' HA ' ' O ' ' B' ' 53' ' ' LEU . 0.9 OUTLIER -116.51 134.7 54.54 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.236 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 56.5 tttp -149.6 126.14 10.94 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.169 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -95.98 121.16 37.43 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.839 -0.619 . . . . 10.0 109.517 179.236 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -137.25 161.75 34.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.848 0.356 . . . . 10.0 110.852 -179.288 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 15.8 t -99.94 96.68 5.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.242 179.672 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 68.2 mt -104.14 123.99 58.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.556 -0.747 . . . . 10.0 110.58 -178.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 47' ' ' ASP . . . . . 0.771 ' HA ' ' HG3' ' C' ' 128' ' ' LYS . 31.6 m-20 59.93 20.63 9.63 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.865 -0.607 . . . . 10.0 112.072 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.89 0.17 66.54 Favored Glycine 0 N--CA 1.454 -0.158 0 C-N-CA 121.022 -0.609 . . . . 10.0 112.644 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -108.77 136.99 47.43 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.661 0.267 . . . . 10.0 110.807 -179.391 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 1.8 m -79.85 103.39 9.72 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.341 -0.985 . . . . 10.0 108.341 178.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 15.2 m -108.09 135.46 49.41 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 112.256 0.465 . . . . 10.0 112.256 -178.473 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 41.4 tp -99.72 108.32 20.62 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 107.651 -1.241 . . . . 10.0 107.651 178.297 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' LEU . . . . . 0.472 HD22 HD11 ' B' ' 6' ' ' LEU . 26.5 mt -82.58 124.41 30.12 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.89 0.7 . . . . 10.0 112.89 -177.754 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 54' ' ' ASP . . . . . 0.499 ' HB3' ' HA ' ' B' ' 5' ' ' LYS . 33.1 t70 -108.43 85.7 2.16 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 106.902 -1.518 . . . . 10.0 106.902 177.765 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 55' ' ' ILE . . . . . 0.525 ' HA ' ' O ' ' B' ' 6' ' ' LEU . 19.5 mt -92.2 139.09 18.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 113.131 0.789 . . . . 10.0 113.131 -177.095 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 16.3 tp -125.5 117.85 24.52 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.297 -0.865 . . . . 10.0 110.096 178.478 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -93.78 110.92 22.54 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 108.899 -0.778 . . . . 10.0 108.899 179.372 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 69.9 p -90.64 -173.25 3.68 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.572 0.582 . . . . 10.0 112.572 -178.496 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -99.82 155.3 17.72 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.854 -0.612 . . . . 10.0 111.215 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -115.85 11.78 17.94 Favored Glycine 0 N--CA 1.444 -0.816 0 N-CA-C 111.158 -0.777 . . . . 10.0 111.158 179.161 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -89.17 7.89 32.92 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.529 -0.336 . . . . 10.0 111.222 -179.179 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.402 ' HB3' ' H ' ' B' ' 63' ' ' GLU . 13.9 mm-40 59.81 -139.0 0.67 Allowed 'General case' 0 C--N 1.331 -0.236 0 O-C-N 123.571 0.545 . . . . 10.0 111.141 -179.21 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.402 ' H ' ' HB3' ' B' ' 62' ' ' GLU . 2.3 tm-20 73.51 -37.58 0.38 Allowed 'General case' 0 N--CA 1.467 0.394 0 O-C-N 123.401 0.438 . . . . 10.0 111.678 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -78.78 73.59 5.33 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.129 0.49 . . . . 10.0 111.623 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.61 -15.4 52.31 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.082 -0.508 . . . . 10.0 111.038 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -120.49 -33.18 3.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.049 -0.523 . . . . 10.0 111.842 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 28.8 ttp -67.7 -26.26 66.09 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.742 0.306 . . . . 10.0 111.378 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 68' ' ' ARG . . . . . 0.57 ' HA ' ' CZ ' ' B' ' 71' ' ' TYR . 1.1 ttp180 -59.05 -36.46 75.06 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.906 -0.588 . . . . 10.0 111.422 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -56.37 -35.11 67.31 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.68 -0.691 . . . . 10.0 111.903 -179.326 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -59.27 -58.18 9.77 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.244 0.461 . . . . 10.0 112.244 -178.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 71' ' ' TYR . . . . . 0.57 ' CZ ' ' HA ' ' B' ' 68' ' ' ARG . 0.5 OUTLIER -72.68 -24.89 61.08 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.88 0.696 . . . . 10.0 112.88 -178.861 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 72' ' ' MET . . . . . 0.778 ' HA ' ' HZ ' ' B' ' 78' ' ' PHE . 36.2 mtt -70.29 -35.9 74.0 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.939 0.4 . . . . 10.0 111.03 179.368 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -80.83 -19.97 43.46 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.129 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 4.2 m -94.36 -42.6 8.81 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.492 0.553 . . . . 10.0 112.492 -179.006 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -67.75 140.47 36.68 Favored Glycine 0 C--N 1.333 0.399 0 C-N-CA 121.128 -0.558 . . . . 10.0 113.437 -179.401 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.408 ' HG3' ' HB2' ' B' ' 5' ' ' LYS . 27.4 mt-10 -91.14 -47.6 7.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.697 0.284 . . . . 10.0 110.543 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -113.67 137.94 14.53 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.921 -0.657 . . . . 10.0 111.728 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 78' ' ' PHE . . . . . 0.778 ' HZ ' ' HA ' ' B' ' 72' ' ' MET . 74.9 m-85 -112.92 122.8 48.71 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.286 0.565 . . . . 10.0 111.55 -179.451 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.627 HD13 HD22 ' B' ' 159' ' ' LEU . 17.7 tp -95.47 104.08 15.97 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.529 -0.76 . . . . 10.0 110.086 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.7 97.81 7.44 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.035 -0.529 . . . . 10.0 109.895 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 90.9 t -104.87 121.52 56.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.043 0.449 . . . . 10.0 110.921 -179.154 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 82' ' ' PHE . . . . . 0.792 ' HB2' ' HB2' ' B' ' 89' ' ' SER . 20.6 p90 -135.26 157.83 45.91 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.59 179.083 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -96.83 136.4 37.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.04 179.582 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 35.0 pt -75.44 -12.17 14.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 112.369 0.507 . . . . 10.0 112.369 -179.279 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 22.5 p-10 -94.19 4.03 54.45 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.848 0.356 . . . . 10.0 111.118 179.663 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -137.94 107.09 6.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.821 179.637 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 1.6 m -61.91 -29.75 70.43 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.962 -0.563 . . . . 10.0 111.802 -179.457 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -55.7 -47.78 76.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.449 -0.342 . . . . 10.0 111.098 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 89' ' ' SER . . . . . 0.792 ' HB2' ' HB2' ' B' ' 82' ' ' PHE . 0.0 OUTLIER -61.03 -33.56 73.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 10.0 111.488 179.86 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -67.68 -47.82 68.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.258 -0.428 . . . . 10.0 111.004 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -70.01 -31.98 69.91 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.241 -0.436 . . . . 10.0 110.743 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -61.77 -27.07 68.48 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.945 -0.57 . . . . 10.0 111.446 179.58 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 93' ' ' ILE . . . . . 0.426 HG12 ' O ' ' B' ' 89' ' ' SER . 47.4 mm -57.11 -38.77 62.55 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-N 116.508 -0.315 . . . . 10.0 110.994 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -64.3 -46.5 83.3 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.543 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -61.28 -44.34 97.39 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.262 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -63.4 -45.61 90.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.532 178.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 4.7 tmt_? -58.56 -50.08 75.08 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.956 -0.565 . . . . 10.0 111.918 -178.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 -62.0 -34.6 76.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.691 0.281 . . . . 10.0 111.386 -179.671 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -68.29 -41.86 80.32 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.471 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 96.7 mt -58.07 -45.77 88.27 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.585 179.618 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 38.4 mtmt -62.06 -32.85 73.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.297 -0.411 . . . . 10.0 110.954 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 13.2 ttm180 -76.63 -43.46 38.17 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.118 -0.492 . . . . 10.0 111.692 -179.075 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 99.9 t -70.29 -46.98 69.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.965 0.412 . . . . 10.0 111.939 -179.4 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 104' ' ' LYS . . . . . 0.414 ' HD2' ' HE2' ' B' ' 78' ' ' PHE . 27.4 mtpp -80.93 -16.03 54.66 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.487 -0.324 . . . . 10.0 111.858 -179.009 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 2.9 t70 57.54 60.77 2.71 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.685 0.755 . . . . 10.0 111.259 -179.332 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 8.4 t -157.44 145.65 19.19 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.424 -0.807 . . . . 10.0 110.133 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -96.01 -25.89 15.75 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.247 0.546 . . . . 10.0 110.071 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.87 79.84 1.38 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.773 -0.649 . . . . 10.0 110.823 -179.301 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 0.419 ' HA ' ' HD3' ' B' ' 110' ' ' PRO . 0.4 OUTLIER -110.36 133.33 21.13 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 116.205 -0.452 . . . . 10.0 111.457 -179.675 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 110' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 23.5 Cg_exo -64.7 124.22 12.87 Favored 'Trans proline' 0 C--O 1.236 0.384 0 C-N-CA 122.839 2.359 . . . . 10.0 111.987 179.493 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 16.7 mtm -151.13 153.21 34.58 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.524 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 85.3 t -135.77 126.93 44.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.002 -0.545 . . . . 10.0 109.804 179.382 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 19.2 tp -85.94 115.59 23.65 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.009 0.433 . . . . 10.0 110.103 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 114' ' ' VAL . . . . . 0.431 HG21 HD11 ' B' ' 79' ' ' LEU . 57.2 t -117.61 125.31 74.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.218 0.532 . . . . 10.0 112.001 -178.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -105.28 119.72 6.26 Favored Glycine 0 N--CA 1.445 -0.745 0 N-CA-C 110.429 -1.069 . . . . 10.0 110.429 178.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 116' ' ' ASN . . . . . 0.591 HD22 ' HA3' ' B' ' 15' ' ' GLY . 63.7 t30 -102.47 166.82 10.33 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.63 0.215 . . . . 10.0 111.146 -179.186 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 117' ' ' LYS . . . . . 0.526 ' HE2' ' C4 ' ' B' ' 201' ' ' GSP . 91.7 mttt 65.51 32.29 9.54 Favored 'General case' 0 N--CA 1.463 0.189 0 O-C-N 123.746 0.654 . . . . 10.0 111.273 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 54.5 m -69.27 -14.02 62.72 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.866 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -84.13 -3.73 58.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.372 -0.376 . . . . 10.0 110.915 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 120' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' B' ' 120' ' ' LEU . 8.9 mt -92.51 130.48 37.11 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.052 179.406 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -75.58 175.02 11.83 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.921 2.414 . . . . 10.0 111.474 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 19.8 m 58.77 52.85 6.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.079 -0.509 . . . . 10.0 110.959 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 123' ' ' ARG . . . . . 0.589 ' HD3' ' O ' ' B' ' 125' ' ' VAL . 5.0 ptp180 -69.56 137.23 52.23 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.055 -0.52 . . . . 10.0 111.243 179.76 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.03 -30.92 17.43 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.137 0.494 . . . . 10.0 109.757 179.157 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 125' ' ' VAL . . . . . 0.589 ' O ' ' HD3' ' B' ' 123' ' ' ARG . 48.1 t -100.53 117.85 46.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.891 -0.595 . . . . 10.0 109.511 179.143 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 126' ' ' ASP . . . . . 0.54 ' OD2' ' HG2' ' B' ' 128' ' ' LYS . 6.8 t0 -75.1 142.79 43.62 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.175 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -56.83 -50.73 71.52 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.658 -179.545 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 128' ' ' LYS . . . . . 0.617 ' HB2' ' HA ' ' C' ' 47' ' ' ASP . 15.5 pttm -63.55 -33.56 75.86 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 113.509 0.929 . . . . 10.0 113.509 -177.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 129' ' ' GLN . . . . . 0.529 ' HG2' ' O ' ' B' ' 126' ' ' ASP . 2.4 pt20 -68.19 -27.55 66.49 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.302 -0.559 . . . . 10.0 110.93 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -88.1 -32.8 18.51 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.42 -0.585 . . . . 10.0 109.42 178.576 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 131' ' ' GLN . . . . . 0.535 ' HB3' ' CZ ' ' C' ' 161' ' ' ARG . 87.0 mt-30 -63.43 -52.46 61.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.267 -0.878 . . . . 10.0 112.015 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 132' ' ' ASP . . . . . 0.688 ' HB2' ' HB3' ' C' ' 47' ' ' ASP . 27.6 t0 -62.52 -35.42 79.33 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.957 0.408 . . . . 10.0 110.939 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 27.7 tp -62.06 -46.03 90.94 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.02 179.077 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.82 -36.18 82.78 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 115.888 -0.596 . . . . 10.0 110.075 179.275 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 135' ' ' ARG . . . . . 0.736 ' HG3' ' HB3' ' C' ' 161' ' ' ARG . 6.5 tmm_? -62.26 -37.33 85.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.839 -0.619 . . . . 10.0 110.351 179.536 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 13.0 t -69.67 -12.2 61.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 10.0 111.453 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -106.33 -28.44 10.38 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.788 0.328 . . . . 10.0 110.869 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 101.33 -4.2 54.77 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.722 -0.752 . . . . 10.0 112.627 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 39.2 pt -82.54 152.49 67.0 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-O 120.585 0.231 . . . . 10.0 111.323 -179.406 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -80.37 156.85 22.4 Favored 'Trans proline' 0 C--O 1.239 0.563 0 C-N-CA 122.763 2.309 . . . . 10.0 111.823 179.464 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -143.57 131.43 21.53 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 115.901 -0.59 . . . . 10.0 110.463 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 12.2 tt -143.63 142.85 24.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.657 -179.456 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -78.56 135.37 37.28 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.485 -0.561 . . . . 10.0 109.485 179.055 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 16.8 p -136.01 143.31 44.69 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.32 0.581 . . . . 10.0 112.373 -178.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 1.7 m -133.48 101.49 5.17 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.127 -1.064 . . . . 10.0 108.127 178.367 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 146' ' ' ALA . . . . . 0.526 ' HB2' HD23 ' B' ' 19' ' ' LEU . . . -64.5 -29.8 70.84 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.717 0.636 . . . . 10.0 112.717 -178.342 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -61.08 -33.79 73.9 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.744 0.307 . . . . 10.0 111.265 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.28 -8.81 24.43 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.922 179.746 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 74.28 -7.97 1.55 Allowed 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 113.408 0.892 . . . . 10.0 113.408 179.256 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.88 138.07 42.21 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 121.634 -0.666 . . . . 10.0 112.13 -179.77 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 86.96 -29.18 5.17 Favored Glycine 0 CA--C 1.524 0.63 0 C-N-CA 121.125 -0.56 . . . . 10.0 113.777 179.02 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 36.8 t -55.03 -41.63 60.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 112.105 0.409 . . . . 10.0 112.105 -178.59 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.31 -53.88 41.89 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.042 0.386 . . . . 10.0 112.042 -179.105 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -62.37 -32.77 73.62 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.731 0.641 . . . . 10.0 112.731 -178.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -56.92 -46.8 81.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.995 0.426 . . . . 10.0 110.421 179.455 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -74.61 -35.38 62.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.038 -0.528 . . . . 10.0 111.048 179.697 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -63.57 -44.53 93.85 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.499 179.517 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 28.7 m -67.44 -33.8 75.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.251 -0.432 . . . . 10.0 110.501 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 159' ' ' LEU . . . . . 0.627 HD22 HD13 ' B' ' 79' ' ' LEU . 44.9 tp -59.22 -45.99 89.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.274 179.35 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 84.1 t -73.32 -35.62 46.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.227 179.35 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -57.52 -40.77 79.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.46 -0.791 . . . . 10.0 110.745 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -66.63 -31.25 71.82 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.365 -0.379 . . . . 10.0 111.092 179.269 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 51.9 mt -74.12 -44.88 49.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-O 120.708 0.289 . . . . 10.0 110.638 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 164' ' ' ARG . . . . . 0.447 HH11 ' HD2' ' B' ' 164' ' ' ARG . 33.9 ttm105 -63.87 -38.35 90.77 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 109.085 -0.709 . . . . 10.0 109.085 179.072 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 26.4 ttmt -66.33 -43.69 85.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.363 -0.835 . . . . 10.0 109.308 178.463 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 59.9 t60 -54.04 -49.63 68.54 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-N 115.611 -0.722 . . . . 10.0 110.971 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -57.32 -48.01 80.07 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.466 -0.334 . . . . 10.0 111.653 -179.595 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -63.85 -47.56 80.22 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.482 179.516 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 13.3 mmmm -63.43 -32.43 73.87 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.806 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 14.4 mmt -79.5 -9.02 59.53 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.813 0.672 . . . . 10.0 112.813 -179.339 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 9.9 m -69.56 -34.46 74.2 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.301 0.572 . . . . 10.0 109.833 178.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 28.5 mtpt -107.2 -28.1 10.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.604 -0.726 . . . . 10.0 110.381 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 173' ' ' ASP . . . . . . . . . . . . 0.346 3.5 p30 52.66 -93.65 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 113.908 1.077 . . . . 10.0 113.908 -178.628 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . -126.77 -94.71 0.9 Allowed Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.698 -0.763 . . . . 10.0 112.649 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 175' ' ' LYS . . . . . 0.549 ' HG3' ' O4 ' ' C' ' 215' ' ' 17F . 20.2 tptp -143.22 175.88 9.55 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.906 -0.405 . . . . 10.0 109.906 -179.182 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 176' ' ' LYS . . . . . 0.615 ' O ' ' H61' ' B' ' 203' ' ' PCW . 29.4 mtpp 62.74 29.91 16.78 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 112.043 0.386 . . . . 10.0 112.043 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 177' ' ' LYS . . . . . 0.406 ' HD3' ' HA ' ' B' ' 177' ' ' LYS . 28.0 mmtp -114.63 -101.16 0.43 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.229 -0.441 . . . . 10.0 111.461 -179.69 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 53.4 tttm 53.34 75.23 0.26 Allowed 'General case' 0 N--CA 1.468 0.445 0 O-C-N 123.559 0.537 . . . . 10.0 109.976 -179.071 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 179' ' ' LYS . . . . . 0.439 ' H ' ' HG2' ' B' ' 179' ' ' LYS . 25.6 pttt -90.47 142.18 28.0 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.882 0.697 . . . . 10.0 112.882 -178.351 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -159.07 115.67 2.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.497 -0.774 . . . . 10.0 109.281 179.336 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -142.42 122.77 13.94 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 121.145 -0.222 . . . . 10.0 111.241 -179.206 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 29.6 tttm -125.16 90.27 3.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.002 0.43 . . . . 10.0 110.398 178.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 1.7 m -78.04 121.77 24.69 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.394 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 184' ' ' LYS . . . . . 0.68 ' H ' ' C7 ' ' A' ' 414' ' ' PCW . 54.0 mtpt . . . . . 0 C--N 1.326 -0.43 0 CA-C-O 120.626 0.25 . . . . 10.0 111.196 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 1' ' ' SER . . . . . 0.592 ' N ' ' HB ' ' C' ' 50' ' ' THR . 13.8 m . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.782 0.325 . . . . 10.0 110.971 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 2' ' ' THR . . . . . 0.508 ' HB ' ' CE2' ' C' ' 4' ' ' TYR . 0.2 OUTLIER -92.99 131.36 38.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.873 -179.712 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -98.62 135.81 39.61 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.288 -0.415 . . . . 10.0 110.734 -179.352 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 4' ' ' TYR . . . . . 0.508 ' CE2' ' HB ' ' C' ' 2' ' ' THR . 97.7 m-85 -132.53 116.49 16.8 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.56 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -88.19 117.96 27.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.892 0.377 . . . . 10.0 110.265 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 6' ' ' LEU . . . . . 0.607 ' O ' ' HA ' ' C' ' 55' ' ' ILE . 21.2 mt -116.04 132.52 56.63 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.945 -0.571 . . . . 10.0 110.801 -178.824 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 7' ' ' VAL . . . . . 0.533 HG11 ' CD2' ' C' ' 71' ' ' TYR . 39.4 t -124.02 130.54 73.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 N-CA-C 110.145 -0.317 . . . . 10.0 110.145 179.201 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.599 HG12 ' HB3' ' C' ' 79' ' ' LEU . 3.7 m -99.46 118.95 46.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.197 0.522 . . . . 10.0 111.661 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 15.9 m -108.02 150.44 10.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.111 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 157.03 -178.02 33.62 Favored Glycine 0 N--CA 1.445 -0.711 0 N-CA-C 111.124 -0.79 . . . . 10.0 111.124 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.63 -176.47 6.28 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.067 0.46 . . . . 10.0 110.698 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.28 139.65 30.78 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.348 -0.387 . . . . 10.0 110.508 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 13' ' ' GLY . . . . . 0.943 ' HA2' H5'1 ' C' ' 201' ' ' GSP . . . 91.24 7.89 65.05 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.66 -0.781 . . . . 10.0 112.69 179.582 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 35.6 m -88.4 -14.33 9.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.851 0.358 . . . . 10.0 110.819 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 95.12 28.14 10.2 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.928 -0.653 . . . . 10.0 112.989 179.325 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 1.4 mtmt -58.22 -40.85 82.73 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.037 0.384 . . . . 10.0 112.037 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 17' ' ' SER . . . . . 0.422 ' OG ' ' O3G' ' C' ' 201' ' ' GSP . 0.9 OUTLIER -79.39 -33.87 42.37 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.606 -0.27 . . . . 10.0 111.412 -179.354 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.18 -43.11 87.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 10.0 111.498 -179.665 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 19' ' ' LEU . . . . . 0.419 HD23 ' HB2' ' C' ' 146' ' ' ALA . 95.5 mt -63.02 -34.9 78.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 10.0 111.662 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -76.62 -46.12 27.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.449 -0.341 . . . . 10.0 111.147 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 81.5 mt -61.23 -35.99 69.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 10.0 111.283 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 22' ' ' GLN . . . . . 0.574 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 2.5 mm-40 -65.91 -16.47 63.89 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.736 0.303 . . . . 10.0 111.394 179.502 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 13.6 tp -103.4 -42.33 5.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.981 0.419 . . . . 10.0 110.784 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 49.6 mm -71.44 -52.61 25.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.833 -0.621 . . . . 10.0 112.067 -179.068 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -110.05 -1.71 17.42 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.109 0.48 . . . . 10.0 112.013 -179.149 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 26' ' ' ASN . . . . . 0.574 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 56.4 m-80 57.56 45.16 19.85 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 113.397 0.888 . . . . 10.0 113.397 178.494 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 8.0 p80 -151.25 166.47 30.8 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.559 0.219 . . . . 10.0 111.046 178.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -119.66 144.37 47.21 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.259 -0.428 . . . . 10.0 110.939 -179.042 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 4.3 m -111.4 121.27 63.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.805 -0.634 . . . . 10.0 109.926 179.084 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -77.82 -27.39 50.02 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.249 0.547 . . . . 10.0 110.7 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -80.71 136.76 36.23 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.695 -0.684 . . . . 10.0 110.594 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 32' ' ' TYR . . . . . 0.874 ' CD1' H5'2 ' C' ' 201' ' ' GSP . 50.2 t80 -65.82 142.67 57.87 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.846 -0.615 . . . . 10.0 110.142 179.446 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -142.09 101.81 5.76 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-O 120.712 0.291 . . . . 10.0 110.691 179.354 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -60.03 111.14 0.9 Allowed 'Trans proline' 0 C--O 1.233 0.26 0 C-N-CA 122.894 2.396 . . . . 10.0 111.889 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 35' ' ' THR . . . . . 0.443 ' OG1' ' O3G' ' C' ' 201' ' ' GSP . 1.3 m -93.64 119.06 32.18 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.61 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 36' ' ' ILE . . . . . 0.514 ' HA ' ' HB2' ' C' ' 59' ' ' ALA . 49.8 mm -90.0 -49.99 13.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 108.257 -1.016 . . . . 10.0 108.257 178.668 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 37' ' ' GLU . . . . . 0.833 ' HG2' HD11 ' C' ' 56' ' ' LEU . 6.6 tt0 -166.34 85.1 0.3 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.088 -0.96 . . . . 10.0 109.958 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -111.15 126.05 54.43 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.07 -0.344 . . . . 10.0 110.07 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 39' ' ' SER . . . . . 0.458 ' HB2' ' NH1' ' C' ' 41' ' ' ARG . 0.7 OUTLIER -110.29 138.69 46.33 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.025 0.441 . . . . 10.0 111.874 -179.65 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -127.05 140.94 51.93 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.095 -179.429 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 41' ' ' ARG . . . . . 0.494 ' HA ' ' O ' ' C' ' 53' ' ' LEU . 1.3 mpp_? -120.42 131.33 54.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.429 -0.35 . . . . 10.0 110.513 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 42' ' ' LYS . . . . . 0.467 ' HG2' HG13 ' C' ' 44' ' ' VAL . 55.1 tttp -144.77 126.08 14.79 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.92 0.39 . . . . 10.0 111.486 179.736 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -94.3 106.61 18.58 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.883 -0.599 . . . . 10.0 109.937 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 44' ' ' VAL . . . . . 0.467 HG13 ' HG2' ' C' ' 42' ' ' LYS . 4.4 m -125.05 163.43 25.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 121.009 0.433 . . . . 10.0 111.566 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 34.9 t -98.04 105.79 17.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.071 -0.513 . . . . 10.0 109.644 179.413 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 25.7 mt -112.07 119.88 61.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.509 -0.314 . . . . 10.0 110.744 -178.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 47' ' ' ASP . . . . . 0.688 ' HB3' ' HB2' ' B' ' 132' ' ' ASP . 6.6 m-20 63.0 20.66 12.44 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.511 -0.768 . . . . 10.0 111.632 179.576 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.82 -4.22 75.15 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.818 -0.706 . . . . 10.0 111.99 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -107.86 136.9 46.81 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 110.1 -0.333 . . . . 10.0 110.1 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 50' ' ' THR . . . . . 0.592 ' HB ' ' N ' ' C' ' 1' ' ' SER . 4.6 m -72.01 118.53 15.0 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.095 -0.705 . . . . 10.0 109.095 178.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 35.8 m -120.88 124.26 44.54 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.983 -179.179 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 56.4 tp -95.41 107.22 19.34 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.459 -0.941 . . . . 10.0 108.459 178.06 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 53' ' ' LEU . . . . . 0.494 ' O ' ' HA ' ' C' ' 41' ' ' ARG . 38.5 mt -83.03 122.18 27.99 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 112.513 0.56 . . . . 10.0 112.513 -178.264 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -110.57 80.55 1.32 Allowed 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 107.249 -1.389 . . . . 10.0 107.249 177.665 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 55' ' ' ILE . . . . . 0.607 ' HA ' ' O ' ' C' ' 6' ' ' LEU . 23.8 mt -89.76 138.15 19.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.836 -0.62 . . . . 10.0 112.504 -178.068 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 56' ' ' LEU . . . . . 0.833 HD11 ' HG2' ' C' ' 37' ' ' GLU . 32.8 tp -127.38 115.6 19.2 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.992 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -94.85 96.78 9.56 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.011 -0.737 . . . . 10.0 109.011 178.493 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.84 161.44 17.52 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.995 -0.548 . . . . 10.0 111.502 -179.597 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 59' ' ' ALA . . . . . 0.514 ' HB2' ' HA ' ' C' ' 36' ' ' ILE . . . -61.34 129.19 40.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.833 -0.621 . . . . 10.0 112.303 -179.541 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -112.0 32.77 6.12 Favored Glycine 0 N--CA 1.45 -0.405 0 CA-C-N 115.491 -0.777 . . . . 10.0 111.391 179.083 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -97.87 25.5 5.91 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.591 -0.304 . . . . 10.0 110.779 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 62' ' ' GLU . . . . . 0.479 ' HG3' ' H ' ' C' ' 63' ' ' GLU . 2.8 tp10 64.3 -161.14 0.29 Allowed 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.023 -0.535 . . . . 10.0 111.171 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 63' ' ' GLU . . . . . 0.479 ' H ' ' HG3' ' C' ' 62' ' ' GLU . 1.9 tm-20 72.76 -54.98 0.69 Allowed 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.149 0.58 . . . . 10.0 112.369 179.376 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -58.18 92.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.745 0.646 . . . . 10.0 112.745 -179.007 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 3.8 m -106.67 -25.53 11.73 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.796 -0.638 . . . . 10.0 109.915 179.14 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.4 -54.68 3.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.252 0.549 . . . . 10.0 111.06 179.567 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 23.0 ttt -61.7 -33.68 74.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.898 -0.592 . . . . 10.0 111.437 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 68' ' ' ARG . . . . . 0.777 ' HA ' ' CE1' ' C' ' 71' ' ' TYR . 16.3 ttp180 -63.4 -35.49 80.59 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.181 -0.463 . . . . 10.0 111.223 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -66.94 -38.85 86.93 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.542 -0.754 . . . . 10.0 110.933 -179.247 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -62.85 -54.56 36.9 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.744 0.646 . . . . 10.0 112.744 -178.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 71' ' ' TYR . . . . . 0.777 ' CE1' ' HA ' ' C' ' 68' ' ' ARG . 5.4 p90 -65.39 -27.96 68.92 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.653 0.612 . . . . 10.0 112.653 -178.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 72' ' ' MET . . . . . 0.437 ' HA ' ' CZ ' ' C' ' 78' ' ' PHE . 46.2 mtt -69.34 -21.91 63.79 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.114 0.483 . . . . 10.0 110.335 179.235 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 73' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' C' ' 73' ' ' ARG . 6.1 mtm180 -88.17 -12.38 44.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.971 -0.559 . . . . 10.0 110.017 178.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 2.4 m -101.98 -40.1 7.03 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.137 0.421 . . . . 10.0 112.137 -178.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -70.89 152.67 50.58 Favored Glycine 0 CA--C 1.519 0.3 0 C-N-CA 120.753 -0.737 . . . . 10.0 112.849 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -106.96 -51.34 2.94 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.731 0.301 . . . . 10.0 110.69 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -101.94 116.19 5.46 Favored Glycine 0 N--CA 1.441 -1.029 0 N-CA-C 111.13 -0.788 . . . . 10.0 111.13 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 78' ' ' PHE . . . . . 0.581 ' HB2' ' HG2' ' C' ' 111' ' ' MET . 96.5 m-85 -103.97 119.14 38.31 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.914 0.388 . . . . 10.0 111.42 -179.281 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 79' ' ' LEU . . . . . 0.599 ' HB3' HG12 ' C' ' 8' ' ' VAL . 11.2 tp -98.02 121.32 39.81 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.29 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 80' ' ' CYS . . . . . 0.711 ' HB3' HD12 ' C' ' 93' ' ' ILE . 27.4 m -87.93 98.29 11.41 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.989 -0.745 . . . . 10.0 108.989 179.183 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 21.9 t -98.31 115.89 39.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.022 -0.536 . . . . 10.0 111.417 -178.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 82' ' ' PHE . . . . . 0.583 ' HE2' ' HG ' ' C' ' 113' ' ' LEU . 50.4 p90 -128.4 161.82 28.57 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.577 -0.738 . . . . 10.0 109.894 179.23 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 83' ' ' ALA . . . . . 0.416 ' HB1' ' OD1' ' C' ' 85' ' ' ASN . . . -105.46 131.97 52.22 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.454 -0.339 . . . . 10.0 110.256 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 84' ' ' ILE . . . . . 0.599 HD12 ' HB3' ' C' ' 123' ' ' ARG . 18.8 pt -68.48 -9.69 11.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.521 -0.309 . . . . 10.0 111.735 -179.511 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 85' ' ' ASN . . . . . 0.416 ' OD1' ' HB1' ' C' ' 83' ' ' ALA . 22.2 p-10 -107.84 15.54 24.4 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.15 179.198 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -141.95 95.14 2.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.856 -0.611 . . . . 10.0 109.406 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.57 -32.13 70.07 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.064 -0.516 . . . . 10.0 112.19 -178.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -59.44 -47.55 85.05 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.343 -0.39 . . . . 10.0 111.668 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 89.8 p -60.58 -37.88 82.79 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.135 0.42 . . . . 10.0 112.135 -179.422 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -65.52 -42.59 91.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.934 0.397 . . . . 10.0 111.288 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -73.3 -29.46 62.72 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.391 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.58 -23.04 66.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.878 -0.601 . . . . 10.0 111.786 -179.753 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 93' ' ' ILE . . . . . 0.711 HD12 ' HB3' ' C' ' 80' ' ' CYS . 40.4 mm -57.99 -36.58 56.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.177 0.513 . . . . 10.0 110.175 179.215 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 17.8 t60 -61.97 -41.78 98.4 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.674 -0.694 . . . . 10.0 110.164 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -63.19 -44.95 93.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.493 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 96' ' ' TYR . . . . . 0.495 ' O ' HG13 ' C' ' 100' ' ' ILE . 12.9 m-85 -67.0 -42.41 85.05 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.934 -0.576 . . . . 10.0 110.808 -179.614 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -56.54 -48.57 76.98 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.282 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -65.02 -35.63 81.8 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.108 -0.496 . . . . 10.0 111.777 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 99' ' ' GLN . . . . . 0.441 ' O ' HG23 ' C' ' 103' ' ' VAL . 62.4 tt0 -66.26 -49.64 66.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.499 -0.318 . . . . 10.0 111.002 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 100' ' ' ILE . . . . . 0.495 HG13 ' O ' ' C' ' 96' ' ' TYR . 58.1 mt -54.8 -42.0 59.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 O-C-N 123.386 0.428 . . . . 10.0 110.866 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -62.86 -39.28 93.94 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.897 -0.592 . . . . 10.0 111.05 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 9.8 tmm_? -74.33 -40.71 62.02 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.22 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 103' ' ' VAL . . . . . 0.441 HG23 ' O ' ' C' ' 99' ' ' GLN . 61.1 t -56.58 -49.3 78.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.113 -0.494 . . . . 10.0 111.924 -179.47 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 13.1 mttp -97.26 -1.73 44.17 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.708 -0.397 . . . . 10.0 111.823 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 32.3 t70 53.92 58.63 4.89 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.72 0.771 . . . . 10.0 111.087 -179.21 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 27.0 m -150.39 149.28 29.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.751 -0.659 . . . . 10.0 110.592 -179.573 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -92.52 -48.04 6.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.977 0.418 . . . . 10.0 110.988 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -79.97 92.98 5.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.053 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 109' ' ' VAL . . . . . 0.46 ' HA ' ' HD3' ' C' ' 110' ' ' PRO . 66.0 t -112.14 131.49 22.5 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 116.299 -0.41 . . . . 10.0 110.108 -179.48 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 110' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' C' ' 109' ' ' VAL . 16.9 Cg_exo -68.32 102.85 0.86 Allowed 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.676 2.251 . . . . 10.0 111.481 179.279 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 111' ' ' MET . . . . . 0.581 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 33.6 mtm -138.84 154.74 48.46 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.094 -0.503 . . . . 10.0 109.774 -179.624 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 112' ' ' VAL . . . . . 0.589 ' HB ' HD12 ' C' ' 79' ' ' LEU . 93.6 t -134.59 130.47 53.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 N-CA-C 109.273 -0.64 . . . . 10.0 109.273 178.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 113' ' ' LEU . . . . . 0.583 ' HG ' ' HE2' ' C' ' 82' ' ' PHE . 15.1 tp -84.42 117.79 23.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.924 0.392 . . . . 10.0 110.026 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 33.1 t -123.85 122.54 64.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.223 0.535 . . . . 10.0 111.451 -178.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -100.97 120.34 6.85 Favored Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 110.255 -1.138 . . . . 10.0 110.255 178.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -101.78 165.37 11.24 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.844 0.322 . . . . 10.0 111.424 -179.151 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 117' ' ' LYS . . . . . 0.57 ' HB3' HD12 ' C' ' 120' ' ' LEU . 98.8 mttt 66.92 30.39 7.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.698 -0.683 . . . . 10.0 111.905 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 118' ' ' CYS . . . . . 0.59 ' HA ' HD13 ' C' ' 84' ' ' ILE . 57.9 m -69.88 -8.1 45.75 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.88 0.696 . . . . 10.0 112.88 -179.619 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -94.03 1.31 56.24 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.928 0.394 . . . . 10.0 111.218 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 120' ' ' LEU . . . . . 0.57 HD12 ' HB3' ' C' ' 117' ' ' LYS . 30.6 mt -90.96 128.47 47.74 Favored Pre-proline 0 C--O 1.236 0.362 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.652 179.558 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -67.75 152.99 77.02 Favored 'Trans proline' 0 C--O 1.236 0.407 0 C-N-CA 122.365 2.044 . . . . 10.0 111.443 179.529 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 6.7 m 65.59 79.76 0.24 Allowed 'General case' 0 CA--C 1.529 0.171 0 O-C-N 123.758 0.661 . . . . 10.0 111.364 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 123' ' ' ARG . . . . . 0.599 ' HB3' HD12 ' C' ' 84' ' ' ILE . 4.0 ptp180 -93.51 139.01 31.21 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.983 -0.553 . . . . 10.0 111.224 -179.549 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 16.1 p -87.53 -32.96 19.12 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.02 0.438 . . . . 10.0 109.937 179.315 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 125' ' ' VAL . . . . . 0.548 ' O ' ' HD3' ' C' ' 123' ' ' ARG . 64.8 t -92.95 121.08 43.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-N 116.0 -0.546 . . . . 10.0 110.612 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 126' ' ' ASP . . . . . 0.539 ' O ' ' HG2' ' C' ' 129' ' ' GLN . 18.4 t0 -78.74 139.45 38.44 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.498 -0.774 . . . . 10.0 109.633 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.31 -37.37 82.98 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.324 0.583 . . . . 10.0 109.88 179.658 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 128' ' ' LYS . . . . . 0.771 ' HG3' ' HA ' ' B' ' 47' ' ' ASP . 0.5 OUTLIER -58.71 -46.45 87.3 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.097 -0.956 . . . . 10.0 111.786 -179.898 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 129' ' ' GLN . . . . . 0.539 ' HG2' ' O ' ' C' ' 126' ' ' ASP . 5.0 pt20 -68.41 -27.98 66.68 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.846 0.355 . . . . 10.0 111.527 -179.122 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -80.33 -44.94 18.66 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.006 0.431 . . . . 10.0 110.416 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -64.99 -42.7 94.28 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.967 -0.56 . . . . 10.0 111.041 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 132' ' ' ASP . . . . . 0.487 ' O ' ' HB3' ' C' ' 135' ' ' ARG . 22.4 t0 -68.64 -31.19 70.16 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.293 -0.412 . . . . 10.0 111.203 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 48.2 tp -67.77 -41.72 82.86 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.317 -0.623 . . . . 10.0 109.317 178.639 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -67.78 -26.37 66.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.337 -0.847 . . . . 10.0 109.693 179.042 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 135' ' ' ARG . . . . . 0.487 ' HB3' ' O ' ' C' ' 132' ' ' ASP . 6.8 tmm_? -61.27 -44.21 97.62 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.352 -0.84 . . . . 10.0 110.729 179.176 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -73.37 -22.36 60.3 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.984 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -83.06 -32.59 26.74 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.055 -0.521 . . . . 10.0 111.109 -179.588 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 93.19 11.11 58.93 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.744 -0.741 . . . . 10.0 112.121 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 41.4 pt -114.68 159.28 37.78 Favored Pre-proline 0 C--N 1.326 -0.446 0 N-CA-C 110.334 -0.247 . . . . 10.0 110.334 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -87.35 158.97 8.18 Favored 'Trans proline' 0 N--CA 1.46 -0.484 0 C-N-CA 122.488 2.125 . . . . 10.0 112.963 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -121.07 136.88 54.89 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.617 -0.719 . . . . 10.0 109.71 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 37.6 mt -131.21 137.13 56.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.738 -0.21 . . . . 10.0 111.329 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -89.52 134.44 34.11 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 108.437 -0.949 . . . . 10.0 108.437 178.536 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 21.7 p -131.19 171.15 13.63 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.959 0.725 . . . . 10.0 112.959 -178.267 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 14.4 t -168.74 117.85 0.7 Allowed 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 114.842 -1.072 . . . . 10.0 108.705 179.134 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 146' ' ' ALA . . . . . 0.513 ' HB1' ' HG3' ' C' ' 22' ' ' GLN . . . -79.55 -0.11 32.11 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.74 0.305 . . . . 10.0 111.276 179.525 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 5.5 ttmt -82.48 -53.08 6.27 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.542 -0.54 . . . . 10.0 109.542 179.172 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -87.92 -22.22 24.48 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.649 -0.501 . . . . 10.0 109.649 178.573 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 26.9 ttt-85 63.39 48.15 3.66 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.503 -0.772 . . . . 10.0 111.194 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -123.92 134.47 53.51 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.683 -0.69 . . . . 10.0 109.578 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 86.17 -19.88 24.3 Favored Glycine 0 C--N 1.329 0.171 0 C-N-CA 120.946 -0.645 . . . . 10.0 112.671 179.595 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 3.7 t -64.99 -41.61 92.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.095 0.474 . . . . 10.0 110.608 -179.462 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.31 -36.64 82.78 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.857 -0.61 . . . . 10.0 110.723 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.11 -39.26 93.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.009 -0.542 . . . . 10.0 110.371 179.35 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.32 -47.15 87.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.504 -0.771 . . . . 10.0 111.486 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -59.41 -47.53 85.1 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.74 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 21.7 m-30 -61.76 -44.31 97.14 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.977 -0.556 . . . . 10.0 111.481 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 29.5 m -61.21 -42.43 98.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 10.0 112.154 -179.467 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 33.5 tp -60.99 -37.41 82.38 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.908 0.385 . . . . 10.0 111.2 -179.633 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 85.7 t -70.77 -42.39 77.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.913 -0.585 . . . . 10.0 111.035 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 161' ' ' ARG . . . . . 0.736 ' HB3' ' HG3' ' B' ' 135' ' ' ARG . 78.4 mtm-85 -65.16 -32.54 74.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.099 -0.501 . . . . 10.0 111.766 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -65.39 -31.96 73.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.989 0.423 . . . . 10.0 110.621 179.512 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 61.2 mt -67.58 -35.77 74.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.049 179.138 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 42.5 mtt85 -69.62 -19.0 63.65 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.052 -0.522 . . . . 10.0 111.272 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 165' ' ' LYS . . . . . 0.408 ' HA ' ' HB3' ' C' ' 168' ' ' GLU . 30.1 ttmt -75.65 -19.01 59.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 10.0 111.189 -179.648 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 166' ' ' HIS . . . . . 0.567 ' O ' ' HB2' ' C' ' 170' ' ' MET . 61.0 t60 -60.42 -45.82 92.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.19 0.519 . . . . 10.0 110.146 179.723 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 42.9 pttt -92.1 25.49 2.85 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.941 -0.572 . . . . 10.0 109.934 179.333 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 168' ' ' GLU . . . . . 0.408 ' HB3' ' HA ' ' C' ' 165' ' ' LYS . 2.9 tt0 -126.02 -54.88 1.49 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.445 -0.798 . . . . 10.0 110.704 -178.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 34.6 tttm -86.27 -43.86 12.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 10.0 111.901 -179.338 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 170' ' ' MET . . . . . 0.567 ' HB2' ' O ' ' C' ' 166' ' ' HIS . 36.1 mmm -64.09 -38.43 91.03 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.552 0.575 . . . . 10.0 112.552 -178.697 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.98 -28.96 70.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.371 -0.377 . . . . 10.0 111.708 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -92.32 -4.66 53.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.538 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 173' ' ' ASP . . . . . . . . . . . . . 32.0 t70 51.43 60.38 3.9 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.841 0.829 . . . . 10.0 110.098 -178.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . 94.11 -106.74 3.45 Favored Glycine 0 N--CA 1.442 -0.908 0 CA-C-N 115.249 -0.887 . . . . 10.0 111.057 -178.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 175' ' ' LYS . . . . . 0.458 ' HD3' ' HA ' ' C' ' 175' ' ' LYS . 0.0 OUTLIER -138.15 31.8 2.4 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.24 0.543 . . . . 10.0 109.555 179.786 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 176' ' ' LYS . . . . . 0.892 ' HE3' ' H62' ' C' ' 212' ' ' PCW . 7.5 tptp -83.02 90.0 6.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.834 -0.621 . . . . 10.0 111.678 -179.19 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 177' ' ' LYS . . . . . 0.415 ' HD2' ' HA ' ' C' ' 177' ' ' LYS . 47.3 tptt -150.69 142.15 23.43 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.9 -0.591 . . . . 10.0 109.95 179.213 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 178' ' ' LYS . . . . . 0.62 ' HG3' ' O1P' ' C' ' 207' ' ' PCW . 50.6 tttp -74.45 112.02 10.21 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.05 179.741 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 179' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -76.41 132.55 39.75 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.943 -0.571 . . . . 10.0 109.977 178.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 180' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -78.47 96.83 5.5 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.797 0.332 . . . . 10.0 110.91 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.6 134.1 36.45 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.89 -0.595 . . . . 10.0 110.545 179.561 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 182' ' ' LYS . . . . . 0.424 ' O ' ' H82' ' C' ' 210' ' ' PCW . 73.1 mmtt -79.53 170.8 16.04 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.35 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 183' ' ' THR . . . . . 0.642 ' HB ' ' H39' ' A' ' 412' ' ' PCW . 1.0 OUTLIER -101.71 -20.5 14.95 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.696 0.284 . . . . 10.0 111.23 179.912 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 184' ' ' LYS . . . . . 0.866 ' HD2' H321 ' A' ' 412' ' ' PCW . 20.9 mtpp . . . . . 0 C--N 1.331 -0.206 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.628 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 401' ' ' PCW . . . . . 1.036 H472 H271 ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 402' ' ' PCW . . . . . 0.832 H451 ' H47' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 403' ' ' PCW . . . . . 1.065 ' H31' ' H41' ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 404' ' ' PCW . . . . . 1.145 H351 ' O31' ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 405' ' ' PCW . . . . . 1.048 H361 H441 ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 406' ' ' PCW . . . . . 1.039 ' H51' H321 ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 407' ' ' PCW . . . . . 1.12 H212 ' C17' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 408' ' ' PCW . . . . . 0.856 H222 ' H54' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 409' ' ' PCW . . . . . 1.249 ' C19' H142 ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 410' ' ' PCW . . . . . 0.907 H351 ' C33' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 411' ' ' PCW . . . . . 1.087 ' H51' ' H1A' ' B' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 412' ' ' PCW . . . . . 0.866 H321 ' HD2' ' C' ' 184' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 413' ' ' PCW . . . . . 1.055 H442 H462 ' C' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 414' ' ' PCW . . . . . 1.13 H141 H182 ' A' ' 414' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 415' ' ' 17F . . . . . 1.1 ' H34' H232 ' A' ' 414' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 416' ' ' 17F . . . . . 0.812 ' H77' H472 ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 417' ' ' PCW . . . . . 0.89 H141 H341 ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 418' ' ' PCW . . . . . 1.065 H341 H132 ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 419' ' ' PCW . . . . . 1.018 ' C40' H441 ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 420' ' ' PCW . . . . . 1.077 H451 H211 ' D' ' 611' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 421' ' ' PCW . . . . . 1.106 H122 ' H11' ' D' ' 630' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 422' ' ' 17F . . . . . 1.082 ' H8A' ' H65' ' C' ' 218' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 601' ' ' PCW . . . . . 1.026 H432 H472 ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 602' ' ' PCW . . . . . 1.047 H283 ' HD2' ' D' ' 462' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 603' ' ' PCW . . . . . 1.049 H412 H371 ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 604' ' ' PCW . . . . . 1.028 H482 H282 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 605' ' ' PCW . . . . . 0.979 H182 H362 ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 606' ' ' PCW . . . . . 1.106 H252 ' H38' ' C' ' 218' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 607' ' ' PCW . . . . . 0.888 ' C1 ' H372 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 608' ' ' PCW . . . . . 1.098 H261 ' H62' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 609' ' ' PCW . . . . . 1.026 H462 H451 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 610' ' ' PCW . . . . . 0.765 ' C20' H241 ' D' ' 610' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 611' ' ' PCW . . . . . 1.077 H211 H451 ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 612' ' ' PCW . . . . . 1.063 ' H39' H462 ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 613' ' ' PCW . . . . . 1.065 H132 H341 ' A' ' 418' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 614' ' ' PCW . . . . . 1.118 H121 H382 ' D' ' 620' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 615' ' ' PCW . . . . . 0.976 H461 H421 ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 616' ' ' PCW . . . . . 0.973 ' C22' H232 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 617' ' ' PCW . . . . . 1.059 H232 H422 ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 618' ' ' PCW . . . . . 0.976 H431 ' C37' ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 619' ' ' PCW . . . . . 0.993 H261 H281 ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 620' ' ' PCW . . . . . 1.118 H382 H121 ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 621' ' ' PCW . . . . . 1.095 H461 H471 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 622' ' ' PCW . . . . . 1.053 ' C14' ' H6 ' ' A' ' 422' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 623' ' ' PCW . . . . . 1.101 ' C36' H322 ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 624' ' ' PCW . . . . . 1.017 ' C24' ' H20' ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 625' ' ' PCW . . . . . 1.045 H261 H421 ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 626' ' ' PCW . . . . . 1.062 H222 ' H42' ' D' ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 627' ' ' PCW . . . . . 1.15 ' H2 ' ' C4 ' ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 628' ' ' 17F . . . . . 1.01 ' H65' H462 ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 629' ' ' 17F . . . . . 1.098 ' H62' H261 ' D' ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 630' ' ' 17F . . . . . 1.106 ' H11' H122 ' A' ' 421' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 631' ' ' 17F . . . . . 0.874 ' H63' H371 ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 632' ' ' 17F . . . . . 1.06 ' H37' H283 ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 201' ' ' GSP . . . . . 0.96 H5'1 ' HA2' ' B' ' 13' ' ' GLY . . . . . . . . 0 O4'--C1' 1.438 2.026 2 O4'-C1'-N19 112.928 4.728 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 202' ' ' ' MG' . . . . . 0.643 'MG ' ' O3G' ' B' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 203' ' ' PCW . . . . . 0.856 H222 ' H56' ' B' ' 209' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 204' ' ' PCW . . . . . 0.968 H171 ' C21' ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 205' ' ' PCW . . . . . 1.075 ' C13' ' H41' ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 206' ' ' PCW . . . . . 1.067 H212 ' C32' ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 207' ' ' PCW . . . . . 1.106 ' C4 ' ' H31' ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 208' ' ' PCW . . . . . 1.077 H331 ' H20' ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 209' ' ' 17F . . . . . 1.006 ' H30' ' H61' ' A' ' 415' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 210' ' ' 17F . . . . . 1.037 ' H64' H281 ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 211' ' ' 17F . . . . . 1.087 ' H1A' ' H51' ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 201' ' ' GSP . . . . . 0.943 H5'1 ' HA2' ' C' ' 13' ' ' GLY . . . . . . . . 0 O4'--C1' 1.436 1.832 3 O4'-C1'-N19 113.278 5.078 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 202' ' ' ' MG' . . . . . 0.606 'MG ' ' O3G' ' C' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 203' ' ' PCW . . . . . 1.077 ' H20' H331 ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 204' ' ' PCW . . . . . 1.075 ' H41' ' C13' ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 205' ' ' PCW . . . . . 1.006 H151 ' C23' ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 206' ' ' PCW . . . . . 0.858 ' H20' H451 ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 207' ' ' PCW . . . . . 1.051 H351 H321 ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 208' ' ' PCW . . . . . 1.095 H471 H461 ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 209' ' ' PCW . . . . . 1.085 H171 ' H30' ' C' ' 214' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 210' ' ' PCW . . . . . 1.055 H462 H442 ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 211' ' ' PCW . . . . . 0.993 ' H51' ' H12' ' C' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 212' ' ' PCW . . . . . 1.06 H241 ' H20' ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 213' ' ' 17F . . . . . 0.975 ' H34' H372 ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 214' ' ' 17F . . . . . 1.085 ' H30' H171 ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 215' ' ' 17F . . . . . 1.053 ' H10' H421 ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 216' ' ' PCW . . . . . 0.837 H251 ' C40' ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 217' ' ' PCW . . . . . 1.02 H352 H222 ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 218' ' ' 17F . . . . . 1.106 ' H38' H252 ' D' ' 606' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 219' ' ' 17F . . . . . 1.062 ' H73' ' H46' ' C' ' 218' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 201' ' ' LEU . . . . . 0.519 ' HA ' HD12 ' A' ' 204' ' ' LEU . 94.6 mt . . . . . 0 CA--C 1.521 -0.144 0 CA-C-O 120.941 0.401 . . . . 10.0 110.572 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 7.1 tmtm? -63.29 -45.52 91.05 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.745 -0.662 . . . . 10.0 111.17 -179.639 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 73.2 mt -65.6 -39.16 91.26 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.648 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 204' ' ' LEU . . . . . 0.519 HD12 ' HA ' ' A' ' 201' ' ' LEU . 27.8 mt -63.97 -47.41 80.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.084 -0.507 . . . . 10.0 111.194 -179.696 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -62.55 -49.62 74.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.726 -0.67 . . . . 10.0 111.308 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -68.28 -27.65 66.51 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.768 -0.651 . . . . 10.0 112.243 -178.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 79.9 t90 -68.18 -35.07 77.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.121 -0.491 . . . . 10.0 109.935 179.245 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -61.71 -38.81 89.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.386 -0.37 . . . . 10.0 110.526 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 10.5 m -64.01 -30.43 71.5 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.857 179.469 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 46.3 t -76.05 -45.44 36.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 108.879 -0.785 . . . . 10.0 108.879 178.495 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 10.9 m -59.89 -42.62 94.2 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.358 -0.837 . . . . 10.0 111.786 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 2.8 p -63.22 -44.6 94.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.988 0.423 . . . . 10.0 109.926 179.512 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 29.6 m -63.42 -43.95 96.01 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.873 -0.603 . . . . 10.0 109.818 178.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 214' ' ' PHE . . . . . 0.96 ' HZ ' H162 ' A' ' 405' ' ' PCW . 0.1 OUTLIER -60.78 -38.35 84.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.693 179.359 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 21.7 m -65.67 -46.64 78.34 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.167 -0.469 . . . . 10.0 110.256 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -65.38 -37.38 86.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.184 179.334 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 31.6 mt -63.58 -42.21 98.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.049 -0.523 . . . . 10.0 109.89 178.659 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 218' ' ' ARG . . . . . 0.426 ' HA ' HD12 ' A' ' 221' ' ' LEU . 47.7 mtt85 -67.88 -32.3 72.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 10.0 111.157 179.597 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -71.36 -31.77 67.73 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.377 -0.601 . . . . 10.0 109.377 178.463 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -79.52 -29.78 41.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.798 -0.637 . . . . 10.0 109.605 178.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 221' ' ' LEU . . . . . 0.426 HD12 ' HA ' ' A' ' 218' ' ' ARG . 16.2 mt -55.06 -33.3 62.61 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-N 115.877 -0.602 . . . . 10.0 111.065 179.594 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -58.31 -69.69 1.2 Allowed Glycine 0 N--CA 1.45 -0.424 0 N-CA-C 110.699 -0.96 . . . . 10.0 110.699 178.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -52.25 -39.48 72.0 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.926 2.417 . . . . 10.0 111.364 178.042 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 8.8 t -56.82 -51.15 71.2 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 CA-C-O 120.82 0.343 . . . . 10.0 110.346 178.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 225' ' ' THR . . . . . 0.409 ' O ' ' HB2' ' A' ' 229' ' ' TRP . 11.2 m -64.68 -39.67 94.07 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.513 -0.312 . . . . 10.0 110.299 179.674 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -62.14 -53.84 49.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.941 179.543 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -64.94 -43.02 94.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 10.0 111.472 -179.502 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 228' ' ' PHE . . . . . 0.408 ' O ' ' HG ' ' A' ' 232' ' ' LEU . 6.9 m-85 -65.1 -48.2 74.53 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.87 0.322 . . . . 10.0 111.87 179.676 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 229' ' ' TRP . . . . . 0.409 ' HB2' ' O ' ' A' ' 225' ' ' THR . 1.6 t-105 -65.71 -32.94 74.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.577 -0.283 . . . . 10.0 111.066 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -60.71 -45.4 94.36 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 178.655 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 231' ' ' ASN . . . . . 0.546 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 85.7 m-20 -71.37 -35.26 71.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.762 -0.654 . . . . 10.0 110.048 178.7 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 232' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 228' ' ' PHE . 51.4 mt -61.39 -41.77 97.66 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.67 -0.492 . . . . 10.0 109.67 178.74 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -64.26 -31.59 72.85 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.188 178.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 234' ' ' LYS . . . . . 0.546 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 74.1 mttt -71.15 -43.6 67.24 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.632 -0.507 . . . . 10.0 109.632 178.566 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -63.98 -45.83 87.33 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.117 179.127 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 10.3 p -66.52 -39.21 88.52 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.301 179.224 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 237' ' ' GLU . . . . . 0.78 ' HA ' ' HD2' ' A' ' 240' ' ' ARG . 33.4 tt0 -61.79 -44.68 96.39 Favored 'General case' 0 C--O 1.231 0.124 0 N-CA-C 109.457 -0.572 . . . . 10.0 109.457 178.438 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -60.05 -43.96 97.74 Favored Glycine 0 N--CA 1.445 -0.757 0 N-CA-C 109.923 -1.271 . . . . 10.0 109.923 178.161 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 239' ' ' LEU . . . . . 0.463 ' HA ' ' HB2' ' A' ' 242' ' ' GLU . 79.0 mt -66.43 -26.73 67.36 Favored 'General case' 0 C--O 1.224 -0.276 0 CA-C-N 115.638 -0.281 . . . . 10.0 110.794 178.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 240' ' ' ARG . . . . . 0.78 ' HD2' ' HA ' ' A' ' 237' ' ' GLU . 63.5 mtt180 -69.11 -45.62 69.74 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 108.58 -0.896 . . . . 10.0 108.58 178.356 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -67.14 -41.75 85.58 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 108.667 -0.864 . . . . 10.0 108.667 178.038 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 242' ' ' GLU . . . . . 0.558 ' OE1' ' HB3' ' D' ' 528' ' ' ARG . 2.9 mt-10 -62.31 -38.99 91.55 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-N 114.98 -1.009 . . . . 10.0 111.002 179.3 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 3.2 mtm -58.1 -29.56 65.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.667 0.27 . . . . 10.0 110.875 179.628 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 1.9 m -70.62 -0.89 9.59 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-O 121.285 0.564 . . . . 10.0 110.759 179.113 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -131.11 -56.59 1.03 Allowed 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.36 -0.608 . . . . 10.0 109.36 178.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 246' ' ' ASP . . . . . 0.519 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 22.0 t0 -57.09 -37.72 72.31 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.671 -0.695 . . . . 10.0 111.631 -179.457 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 247' ' ' LEU . . . . . 0.636 ' O ' HG12 ' A' ' 250' ' ' VAL . 0.4 OUTLIER -99.49 -35.81 9.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 10.0 111.408 179.841 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -69.1 -43.19 74.96 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.738 -0.385 . . . . 10.0 111.686 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -73.18 -31.11 64.01 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 121.08 -0.248 . . . . 10.0 110.558 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 250' ' ' VAL . . . . . 0.669 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 1.6 p -63.78 -31.79 54.46 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.122 0 C-N-CA 120.485 -0.486 . . . . 10.0 109.888 179.111 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 251' ' ' LYS . . . . . 0.528 ' O ' HG12 ' A' ' 254' ' ' VAL . 66.0 mttt -82.17 -44.6 16.23 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.789 -0.641 . . . . 10.0 110.175 179.173 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -61.23 -43.71 98.43 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.388 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 24.9 mtpt -79.84 -18.41 50.85 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.918 -0.583 . . . . 10.0 111.851 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 254' ' ' VAL . . . . . 0.669 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.3 OUTLIER -66.28 -26.75 38.71 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 C-N-CA 120.686 -0.405 . . . . 10.0 110.215 179.461 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 255' ' ' GLN . . . . . 0.446 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 47.3 mt-30 -60.57 -61.53 7.77 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 115.801 -0.636 . . . . 10.0 111.382 179.66 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 256' ' ' PRO . . . . . 0.446 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 38.3 Cg_endo -67.88 -28.42 36.07 Favored 'Trans proline' 0 C--N 1.355 0.901 0 C-N-CA 121.724 1.616 . . . . 10.0 111.697 179.244 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 6.7 m-30 -66.42 -55.23 16.73 Favored 'General case' 0 N--CA 1.46 0.053 0 CA-C-O 121.019 0.437 . . . . 10.0 110.315 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 55.5 mt -69.18 -31.6 70.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.167 -0.47 . . . . 10.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -61.34 -43.92 98.05 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.748 -0.464 . . . . 10.0 109.748 179.062 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -66.06 -54.49 25.17 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.104 179.326 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -56.23 -40.59 74.35 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.629 -0.714 . . . . 10.0 111.948 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -61.85 -47.26 85.83 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.012 -0.366 . . . . 10.0 110.012 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 16.5 mtmt -66.39 -35.03 79.29 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 110.294 -0.262 . . . . 10.0 110.294 179.204 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 264' ' ' LYS . . . . . 0.602 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 28.1 mmtp -63.46 -56.83 12.99 Favored 'General case' 0 CA--C 1.518 -0.255 0 N-CA-C 109.048 -0.723 . . . . 10.0 109.048 178.496 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 83.4 m95 -61.08 -32.16 71.82 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.566 179.306 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -61.76 -54.27 44.71 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 109.335 -0.617 . . . . 10.0 109.335 178.32 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -60.85 -37.34 81.75 Favored 'General case' 0 N--CA 1.456 -0.139 0 CA-C-N 116.229 -0.441 . . . . 10.0 109.903 179.048 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 268' ' ' GLU . . . . . 0.46 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 15.1 mt-10 -59.66 -46.96 87.45 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.867 -0.606 . . . . 10.0 109.546 178.205 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 22.1 mmt -67.27 -40.89 86.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.746 -0.661 . . . . 10.0 110.227 179.398 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 270' ' ' GLU . . . . . 0.482 ' O ' ' HG3' ' A' ' 274' ' ' GLN . 1.7 mm-40 -57.29 -55.74 30.86 Favored 'General case' 0 CA--C 1.519 -0.231 0 N-CA-C 109.91 -0.404 . . . . 10.0 109.91 179.046 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 37.4 mt -59.4 -42.42 91.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.826 -0.624 . . . . 10.0 110.759 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 272' ' ' TYR . . . . . 0.539 ' O ' ' HB ' ' A' ' 276' ' ' VAL . 0.1 OUTLIER -68.13 -27.62 66.6 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.752 0.279 . . . . 10.0 111.752 -179.857 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 273' ' ' ARG . . . . . 0.536 ' O ' HG12 ' A' ' 276' ' ' VAL . 84.9 mtt180 -83.65 -33.06 25.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.894 0.378 . . . . 10.0 111.288 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 274' ' ' GLN . . . . . 0.482 ' HG3' ' O ' ' A' ' 270' ' ' GLU . 23.1 mt-30 -77.77 -27.04 50.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.321 0.581 . . . . 10.0 109.499 178.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 275' ' ' LYS . . . . . 0.773 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 53.2 mttp -91.15 -24.13 20.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.482 -0.781 . . . . 10.0 111.769 178.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 276' ' ' VAL . . . . . 0.539 ' HB ' ' O ' ' A' ' 272' ' ' TYR . 5.2 p -62.18 -30.38 48.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 O-C-N 122.085 -0.385 . . . . 10.0 110.893 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -62.52 -59.65 12.2 Favored Pre-proline 0 CA--C 1.535 0.368 0 CA-C-N 116.415 -0.357 . . . . 10.0 111.539 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 278' ' ' PRO . . . . . 0.424 ' O ' ' HG3' ' A' ' 282' ' ' GLU . 15.2 Cg_endo -62.11 -38.61 55.1 Favored 'Trans proline' 0 C--N 1.356 0.973 0 C-N-CA 121.689 1.592 . . . . 10.0 111.655 178.512 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 279' ' ' LEU . . . . . 0.773 ' HG ' ' O ' ' A' ' 275' ' ' LYS . 20.8 mt -60.74 -46.4 90.6 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.009 0.433 . . . . 10.0 110.383 179.62 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 -68.32 -31.95 71.74 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.076 -0.511 . . . . 10.0 109.858 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -65.5 -46.21 80.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.045 -0.525 . . . . 10.0 109.759 178.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 282' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' A' ' 278' ' ' PRO . 53.4 mt-10 -62.14 -44.55 96.38 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.367 -0.605 . . . . 10.0 109.367 178.498 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 34.8 mt -62.35 -44.2 97.03 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.381 -0.827 . . . . 10.0 110.866 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -66.3 -46.86 75.48 Favored 'General case' 0 C--O 1.234 0.249 0 O-C-N 123.063 0.227 . . . . 10.0 111.422 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -62.52 -48.42 79.63 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 109.544 -0.539 . . . . 10.0 109.544 179.002 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -61.04 -37.71 94.34 Favored Glycine 0 N--CA 1.447 -0.592 0 N-CA-C 111.097 -0.801 . . . . 10.0 111.097 178.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -62.35 -46.55 88.14 Favored 'General case' 0 CA--C 1.515 -0.376 0 N-CA-C 109.616 -0.513 . . . . 10.0 109.616 178.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 288' ' ' ARG . . . . . 0.431 ' O ' ' HB2' ' A' ' 292' ' ' HIS . 68.7 mtt180 -58.93 -47.52 84.77 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-O 121.034 0.445 . . . . 10.0 109.917 179.412 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.43 -54.64 43.2 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.186 -0.916 . . . . 10.0 110.937 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 65.0 mttt -63.4 -38.67 92.03 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.184 -0.462 . . . . 10.0 112.162 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 291' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 291' ' ' LEU . 17.3 mt -68.67 -42.69 77.52 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.095 -0.335 . . . . 10.0 110.095 179.118 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 292' ' ' HIS . . . . . 0.431 ' HB2' ' O ' ' A' ' 288' ' ' ARG . 0.2 OUTLIER -61.72 -40.35 94.74 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.479 -0.563 . . . . 10.0 109.479 178.783 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.07 -41.52 98.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.877 -0.601 . . . . 10.0 109.828 178.395 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 79.9 mt -67.2 -43.76 81.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.65 -0.705 . . . . 10.0 110.403 179.01 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -63.33 -33.83 76.37 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.16 0.505 . . . . 10.0 110.256 179.278 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -64.78 -15.06 61.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.505 -0.771 . . . . 10.0 110.587 178.754 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 297' ' ' LYS . . . . . 0.564 ' HB3' HD12 ' A' ' 301' ' ' LEU . 10.5 mmtp -109.65 -34.34 6.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.012 178.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 298' ' ' LEU . . . . . 0.479 ' O ' ' HA3' ' A' ' 302' ' ' GLY . 79.3 mt -63.6 -25.74 68.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.322 -0.399 . . . . 10.0 111.578 179.594 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 299' ' ' SER . . . . . 0.583 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 3.7 m -80.2 -67.49 0.23 Allowed Pre-proline 0 CA--C 1.536 0.417 0 N-CA-C 112.456 0.539 . . . . 10.0 112.456 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 300' ' ' PRO . . . . . 0.583 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 36.8 Cg_endo -65.95 -54.08 0.6 Allowed 'Trans proline' 0 C--N 1.359 1.084 0 C-N-CA 121.792 1.661 . . . . 10.0 112.26 -179.308 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 301' ' ' LEU . . . . . 0.564 HD12 ' HB3' ' A' ' 297' ' ' LYS . 94.4 mt -64.66 -29.05 70.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.947 0.404 . . . . 10.0 110.01 179.678 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 302' ' ' GLY . . . . . 0.479 ' HA3' ' O ' ' A' ' 298' ' ' LEU . . . -66.83 -53.28 28.17 Favored Glycine 0 N--CA 1.448 -0.516 0 N-CA-C 110.883 -0.887 . . . . 10.0 110.883 178.726 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 303' ' ' GLU . . . . . 0.425 ' HA ' ' HD2' ' A' ' 306' ' ' ARG . 20.7 mt-10 -64.75 -34.23 77.85 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.159 0.504 . . . . 10.0 109.685 178.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -62.16 -43.64 98.37 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.695 -0.854 . . . . 10.0 108.695 177.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 16.1 tpt -66.38 -38.75 88.22 Favored 'General case' 0 C--O 1.22 -0.46 0 CA-C-N 115.732 -0.667 . . . . 10.0 109.514 178.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 306' ' ' ARG . . . . . 0.425 ' HD2' ' HA ' ' A' ' 303' ' ' GLU . 95.1 mtt180 -61.84 -43.86 98.0 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.139 179.271 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 307' ' ' ASP . . . . . 0.63 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 13.7 t70 -69.32 -43.85 72.9 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 116.059 -0.518 . . . . 10.0 110.592 179.682 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 308' ' ' ARG . . . . . 0.464 ' HA ' ' HD3' ' A' ' 308' ' ' ARG . 15.3 mmt180 -63.08 -35.76 81.34 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.735 -0.468 . . . . 10.0 109.735 178.214 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 309' ' ' ALA . . . . . 0.43 ' O ' HG23 ' A' ' 313' ' ' VAL . . . -65.99 -35.69 81.25 Favored 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 108.92 -0.77 . . . . 10.0 108.92 178.051 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 310' ' ' ARG . . . . . 0.63 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 78.4 mtt180 -58.63 -52.19 66.73 Favored 'General case' 0 CA--C 1.518 -0.251 0 N-CA-C 108.509 -0.923 . . . . 10.0 108.509 178.214 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -63.89 -38.65 91.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.599 -0.728 . . . . 10.0 110.348 179.307 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -56.13 -50.62 70.58 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.875 179.518 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 313' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 309' ' ' ALA . 9.7 t -78.82 -34.02 16.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.383 -179.483 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -60.35 -49.3 78.12 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 109.908 -0.405 . . . . 10.0 109.908 178.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -64.22 -31.53 72.76 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 109.31 -0.626 . . . . 10.0 109.31 178.624 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 10.7 mt -68.56 -47.0 67.97 Favored 'General case' 0 C--O 1.219 -0.545 0 CA-C-N 115.68 -0.691 . . . . 10.0 109.945 178.56 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 31.4 mtt85 -61.75 -40.38 94.91 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.789 0.328 . . . . 10.0 110.131 179.366 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 27.8 m -63.24 -26.98 69.04 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.679 -0.692 . . . . 10.0 110.549 179.419 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 14.4 m80 -91.74 -42.43 10.14 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.314 179.103 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 320' ' ' LEU . . . . . 0.465 ' HA ' ' HB2' ' A' ' 323' ' ' TYR . 89.2 mt -62.56 -28.9 70.19 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.354 0.501 . . . . 10.0 112.354 -179.502 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 321' ' ' ALA . . . . . 0.403 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -57.56 -63.24 3.99 Favored Pre-proline 0 C--O 1.237 0.41 0 N-CA-C 111.528 0.196 . . . . 10.0 111.528 179.263 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 322' ' ' PRO . . . . . 0.403 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 29.9 Cg_endo -66.43 -32.53 40.15 Favored 'Trans proline' 0 C--N 1.356 0.958 0 C-N-CA 121.306 1.337 . . . . 10.0 110.999 178.25 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 323' ' ' TYR . . . . . 0.465 ' HB2' ' HA ' ' A' ' 320' ' ' LEU . 3.1 m-85 -59.27 -51.14 71.23 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.315 -0.402 . . . . 10.0 111.094 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 34.1 p -68.69 -39.43 80.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.42 -0.354 . . . . 10.0 110.972 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 325' ' ' ASP . . . . . 0.499 ' HA ' ' HD2' ' A' ' 328' ' ' ARG . 12.7 t70 -62.02 -40.97 97.51 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.917 0.389 . . . . 10.0 110.374 179.354 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -69.3 -35.61 76.17 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.223 -0.658 . . . . 10.0 109.223 178.024 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 28.7 mt -62.81 -35.68 80.67 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.493 -0.558 . . . . 10.0 109.493 178.14 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 328' ' ' ARG . . . . . 0.499 ' HD2' ' HA ' ' A' ' 325' ' ' ASP . 65.7 mtt180 -61.98 -42.69 99.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.675 -0.693 . . . . 10.0 109.591 178.678 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -66.48 -42.97 86.68 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.921 -0.77 . . . . 10.0 108.921 178.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 330' ' ' ARG . . . . . 0.586 HH21 ' HB3' ' D' ' 447' ' ' GLU . 22.0 mtt-85 -59.83 -47.81 84.22 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.126 -0.943 . . . . 10.0 110.154 178.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 79.7 mt -63.7 -39.37 94.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.54 179.5 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -62.68 -40.06 95.91 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.995 -0.372 . . . . 10.0 109.995 179.471 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -72.07 -42.94 65.62 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.95 -0.568 . . . . 10.0 110.017 178.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 334' ' ' ARG . . . . . 0.53 ' HD3' ' OE1' ' D' ' 440' ' ' GLU . 18.9 mmt180 -60.17 -49.58 77.05 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 115.95 -0.568 . . . . 10.0 109.769 178.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 79.4 mt -64.29 -33.66 76.33 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.695 -0.684 . . . . 10.0 110.751 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -66.02 -48.66 70.39 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.597 -0.52 . . . . 10.0 109.597 178.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -61.41 -41.66 97.51 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.093 -0.706 . . . . 10.0 109.093 178.514 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 34.7 mt -64.32 -33.12 75.1 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-N 115.662 -0.699 . . . . 10.0 111.003 178.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 45.6 mttt -78.04 -44.79 25.44 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.755 -0.202 . . . . 10.0 110.797 179.397 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -62.24 -54.63 38.03 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.042 -0.527 . . . . 10.0 110.46 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -72.44 -32.33 66.2 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.966 -0.561 . . . . 10.0 109.938 179.317 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -62.94 -46.07 94.33 Favored Glycine 0 CA--C 1.507 -0.468 0 N-CA-C 111.56 -0.616 . . . . 10.0 111.56 179.357 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -60.63 -35.74 90.08 Favored Glycine 0 N--CA 1.452 -0.297 0 N-CA-C 110.755 -0.938 . . . . 10.0 110.755 178.678 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -69.24 -45.2 70.35 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.004 -0.739 . . . . 10.0 109.004 178.509 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 31.0 mtm180 -61.3 -39.59 91.02 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 115.788 -0.642 . . . . 10.0 110.283 179.027 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 43.5 mt -61.65 -50.44 72.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 10.0 109.852 178.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.13 -42.43 98.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.331 179.537 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 348' ' ' GLU . . . . . 0.451 ' HB3' ' HE2' ' A' ' 352' ' ' LYS . 17.3 mt-10 -66.61 -46.65 75.18 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.99 179.469 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -60.9 -37.35 81.91 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.88 179.566 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -62.96 -43.11 99.7 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.569 -0.53 . . . . 10.0 109.569 178.41 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 351' ' ' ALA . . . . . 0.423 ' O ' ' HG2' ' A' ' 355' ' ' GLU . . . -64.83 -47.5 77.77 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.796 -0.638 . . . . 10.0 109.733 178.706 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 352' ' ' LYS . . . . . 0.451 ' HE2' ' HB3' ' A' ' 348' ' ' GLU . 21.4 mttm -60.67 -38.52 85.2 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.712 -0.676 . . . . 10.0 110.719 179.269 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.41 -39.35 85.52 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.236 -0.438 . . . . 10.0 109.843 179.044 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 93.8 m -64.95 -43.19 93.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.134 179.326 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 355' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 351' ' ' ALA . 12.2 mm-40 -62.17 -37.02 83.65 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 108.948 -0.76 . . . . 10.0 108.948 178.44 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -68.01 -33.13 74.03 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 115.185 -0.916 . . . . 10.0 109.33 178.632 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 74.7 mt -70.67 -39.88 73.3 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.266 178.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 15.6 m -59.65 -43.74 93.78 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 121.153 0.501 . . . . 10.0 109.784 178.641 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 359' ' ' THR . . . . . 0.4 ' O ' ' HB2' ' A' ' 362' ' ' GLU . 1.1 p -76.87 -28.41 55.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.806 -0.633 . . . . 10.0 110.502 179.256 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 360' ' ' LEU . . . . . 0.456 HD12 ' HD2' ' A' ' 363' ' ' LYS . 43.0 tp -66.03 -30.42 70.95 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 108.911 -0.774 . . . . 10.0 108.911 178.33 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 14.9 m -65.49 -29.48 70.14 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.564 -0.744 . . . . 10.0 109.385 178.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 362' ' ' GLU . . . . . 0.59 ' OE2' ' HE3' ' D' ' 414' ' ' LYS . 5.0 mm-40 -70.71 -20.42 62.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.742 -0.663 . . . . 10.0 109.837 178.543 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 363' ' ' LYS . . . . . 0.66 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 79.7 mttt -94.71 -39.08 10.49 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.493 -0.776 . . . . 10.0 109.675 179.633 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -74.35 -24.94 59.25 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.759 -0.655 . . . . 10.0 112.528 -179.464 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 365' ' ' LYS . . . . . 0.964 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 82.7 mttt -110.26 -76.96 0.01 OUTLIER Pre-proline 0 CA--C 1.538 0.495 0 N-CA-C 112.859 0.688 . . . . 10.0 112.859 179.544 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 366' ' ' PRO . . . . . 0.964 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 45.1 Cg_exo -57.18 -49.7 13.33 Favored 'Trans proline' 0 C--N 1.357 1.014 0 C-N-CA 121.972 1.781 . . . . 10.0 113.522 -179.289 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 367' ' ' ALA . . . . . 0.66 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -63.11 -54.09 43.29 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.626 0.232 . . . . 10.0 111.626 179.764 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 11.9 mt -58.19 -40.1 80.65 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 111.696 0.258 . . . . 10.0 111.696 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 56.8 tt0 -64.73 -51.12 64.06 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.98 -0.378 . . . . 10.0 109.98 179.404 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -59.12 -36.7 75.66 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.088 0.471 . . . . 10.0 109.743 179.426 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 61.3 mt -63.07 -52.8 61.32 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.752 -0.658 . . . . 10.0 109.867 178.27 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -62.27 -41.23 98.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.051 -0.522 . . . . 10.0 111.447 -179.636 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -62.06 -31.11 71.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.947 0.403 . . . . 10.0 110.972 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -89.66 -32.75 9.8 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.699 -0.762 . . . . 10.0 111.596 179.114 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 20.7 mt -68.0 -35.41 78.27 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.785 0.291 . . . . 10.0 111.785 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 376' ' ' LEU . . . . . 0.534 ' O ' ' HG3' ' A' ' 380' ' ' GLU . 31.4 mt -52.35 -61.02 5.07 Favored Pre-proline 0 CA--C 1.535 0.4 0 N-CA-C 112.075 0.398 . . . . 10.0 112.075 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -61.66 -35.71 79.03 Favored 'Trans proline' 0 C--N 1.359 1.093 0 C-N-CA 121.71 1.607 . . . . 10.0 111.872 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 35.8 t -61.69 -45.15 99.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 N-CA-C 109.85 -0.426 . . . . 10.0 109.85 179.098 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 87.4 mt -62.42 -35.4 79.13 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 115.965 -0.562 . . . . 10.0 109.929 178.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 380' ' ' GLU . . . . . 0.534 ' HG3' ' O ' ' A' ' 376' ' ' LEU . 94.7 mt-10 -63.15 -47.51 82.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.029 179.163 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.38 -32.24 73.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.211 0.529 . . . . 10.0 110.03 179.036 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -64.3 -43.17 95.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.533 -0.758 . . . . 10.0 109.669 178.644 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -62.62 -40.49 97.13 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.187 179.196 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 384' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 380' ' ' GLU . 84.2 t -62.97 -48.03 89.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.786 179.499 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 2.5 p -68.88 -33.83 74.42 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.405 -0.361 . . . . 10.0 111.259 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 386' ' ' PHE . . . . . 0.714 ' HZ ' ' H76' ' A' ' 415' ' ' 17F . 3.0 m-85 -71.0 -44.56 65.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.591 -0.277 . . . . 10.0 111.056 179.368 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 387' ' ' LEU . . . . . 0.532 ' O ' ' HG3' ' A' ' 391' ' ' GLU . 34.8 mt -60.02 -45.04 94.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.356 -0.384 . . . . 10.0 110.58 179.595 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 388' ' ' SER . . . . . 0.581 ' HB2' ' HE2' ' D' ' 594' ' ' LYS . 3.2 p -67.59 -35.97 79.99 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.65 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -63.55 -42.94 98.34 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.429 -0.35 . . . . 10.0 110.071 179.042 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 390' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 386' ' ' PHE . 96.6 mt -61.3 -37.07 81.87 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.079 0.466 . . . . 10.0 109.832 179.014 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 391' ' ' GLU . . . . . 0.532 ' HG3' ' O ' ' A' ' 387' ' ' LEU . 56.2 mt-10 -68.91 -44.46 73.11 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.242 -0.651 . . . . 10.0 109.242 178.228 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -54.99 -40.97 70.65 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.844 179.315 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -66.59 -53.99 28.33 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.236 179.078 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 23.2 m -60.46 -40.44 91.21 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 112.218 0.451 . . . . 10.0 112.218 -179.377 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -62.44 -28.61 69.93 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 112.94 0.719 . . . . 10.0 112.94 -179.174 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 396' ' ' LYS . . . . . 0.589 ' HE2' ' HA ' ' D' ' 587' ' ' ALA . 13.5 mptt -108.29 -21.09 12.91 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 113.472 0.916 . . . . 10.0 113.472 -178.722 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 39.6 mt -94.25 -14.76 25.17 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.064 0.394 . . . . 10.0 112.064 -179.436 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 63.3 t30 . . . . . 0 C--N 1.324 -0.514 0 CA-C-O 120.82 0.343 . . . . 10.0 110.783 179.986 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 399' ' ' LEU . . . . . 0.408 ' HA ' HD13 ' D' ' 399' ' ' LEU . 3.4 mm? . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.947 0.403 . . . . 10.0 110.716 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -112.96 26.29 10.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.326 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 67.5 mt -63.07 -45.23 93.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.004 -0.544 . . . . 10.0 111.096 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 54.8 mt -66.63 -35.66 80.7 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.213 -0.449 . . . . 10.0 110.584 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -61.4 -48.91 79.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.432 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -72.5 -39.52 67.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.903 -0.59 . . . . 10.0 111.095 -179.655 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -64.59 -37.34 87.22 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.988 -179.607 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -61.04 -36.77 80.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.422 -0.354 . . . . 10.0 110.977 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.42 -39.58 94.88 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 108.915 -0.772 . . . . 10.0 108.915 178.72 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 30.7 t -68.06 -36.31 74.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 CA-C-N 115.442 -0.799 . . . . 10.0 109.483 179.055 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 9.0 m -63.38 -38.45 91.21 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 109.275 -0.639 . . . . 10.0 109.275 178.606 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 16.6 m -65.77 -42.35 90.93 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.988 -0.551 . . . . 10.0 109.519 178.336 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 411' ' ' THR . . . . . 0.473 ' O ' ' HG ' ' D' ' 415' ' ' LEU . 26.8 m -64.18 -39.27 93.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.099 -0.501 . . . . 10.0 110.23 178.648 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -61.74 -41.32 97.51 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.313 -0.625 . . . . 10.0 109.313 178.615 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 413' ' ' SER . . . . . 0.446 ' O ' ' HG3' ' D' ' 417' ' ' GLU . 41.5 m -65.44 -40.86 93.79 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.458 -0.792 . . . . 10.0 110.059 178.804 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 414' ' ' LYS . . . . . 0.59 ' HE3' ' OE2' ' A' ' 362' ' ' GLU . 51.8 mmtt -65.14 -32.33 73.96 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-O 121.028 0.442 . . . . 10.0 110.385 178.803 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 415' ' ' LEU . . . . . 0.596 ' O ' ' HG ' ' D' ' 419' ' ' LEU . 85.2 mt -65.94 -39.56 90.58 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 108.747 -0.834 . . . . 10.0 108.747 178.131 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 70.5 mtt180 -69.64 -35.95 75.67 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.816 -0.629 . . . . 10.0 109.92 179.265 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 417' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' D' ' 413' ' ' SER . 19.2 mt-10 -64.78 -21.58 66.8 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.98 -0.554 . . . . 10.0 109.717 178.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -89.23 -44.55 10.2 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.492 -0.929 . . . . 10.0 108.492 177.268 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 419' ' ' LEU . . . . . 0.596 ' HG ' ' O ' ' D' ' 415' ' ' LEU . 82.5 mt -48.32 -55.2 11.29 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 115.329 -0.851 . . . . 10.0 111.949 -179.637 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -47.87 -71.72 0.53 Allowed Glycine 0 CA--C 1.523 0.554 0 O-C-N 123.493 0.496 . . . . 10.0 113.738 -179.395 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 421' ' ' PRO . . . . . 0.515 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 34.2 Cg_exo -58.97 -45.18 29.87 Favored 'Trans proline' 0 CA--C 1.532 0.398 0 C-N-CA 122.838 2.359 . . . . 10.0 113.035 179.707 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 51.9 t -60.38 -46.88 94.45 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.201 0 N-CA-C 112.934 0.716 . . . . 10.0 112.934 -178.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 28.6 p -61.59 -40.25 94.11 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.726 -0.39 . . . . 10.0 111.181 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -58.85 -51.57 69.43 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.021 0.439 . . . . 10.0 110.52 179.493 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 425' ' ' GLU . . . . . 0.515 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 8.7 pt-20 -72.38 -29.47 63.79 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.552 -0.459 . . . . 10.0 111.433 179.551 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 426' ' ' PHE . . . . . 0.499 ' O ' ' HG ' ' D' ' 430' ' ' LEU . 30.4 t80 -67.87 -41.31 83.05 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 109.545 -0.539 . . . . 10.0 109.545 178.573 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 6.3 m0 -62.26 -49.09 77.08 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 115.858 -0.61 . . . . 10.0 109.426 178.265 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 428' ' ' ASP . . . . . 0.451 ' O ' ' HG3' ' D' ' 432' ' ' LYS . 35.2 t70 -62.87 -35.09 78.86 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.603 -0.518 . . . . 10.0 109.603 178.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -63.84 -46.28 85.74 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 108.914 -0.772 . . . . 10.0 108.914 177.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 430' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' D' ' 426' ' ' PHE . 95.6 mt -65.15 -36.38 84.05 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.595 -0.729 . . . . 10.0 110.191 179.065 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -62.74 -37.57 87.09 Favored 'General case' 0 CA--C 1.521 -0.15 0 N-CA-C 110.094 -0.335 . . . . 10.0 110.094 178.709 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 432' ' ' LYS . . . . . 0.451 ' HG3' ' O ' ' D' ' 428' ' ' ASP . 42.6 mttp -64.7 -35.93 82.63 Favored 'General case' 0 CA--C 1.519 -0.215 0 N-CA-C 108.817 -0.809 . . . . 10.0 108.817 177.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -69.54 -47.89 62.22 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.356 -0.838 . . . . 10.0 110.629 179.231 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.76 -42.99 99.94 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 121.017 -0.273 . . . . 10.0 110.682 179.496 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 435' ' ' GLU . . . . . 0.523 ' O ' ' HG3' ' D' ' 439' ' ' GLN . 12.0 mm-40 -65.6 -44.83 85.4 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.595 -0.275 . . . . 10.0 110.338 178.797 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 436' ' ' GLY . . . . . 0.504 ' O ' ' HG3' ' D' ' 440' ' ' GLU . . . -62.14 -44.91 97.08 Favored Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 110.409 -1.076 . . . . 10.0 110.409 178.613 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 10.5 mt -61.2 -38.11 85.39 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.736 -0.468 . . . . 10.0 109.736 178.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 55.4 mtt180 -66.52 -31.23 71.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.523 -0.308 . . . . 10.0 111.014 179.487 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 439' ' ' GLN . . . . . 0.523 ' HG3' ' O ' ' D' ' 435' ' ' GLU . 96.0 mt-30 -68.65 -29.82 68.38 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-O 121.278 0.561 . . . . 10.0 109.666 178.433 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 440' ' ' GLU . . . . . 0.53 ' OE1' ' HD3' ' A' ' 334' ' ' ARG . 24.9 mt-10 -85.93 -49.2 8.04 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.515 -0.766 . . . . 10.0 110.032 179.108 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 97.9 mmm -60.39 -29.82 69.19 Favored 'General case' 0 CA--C 1.522 -0.125 0 CA-C-N 115.639 -0.709 . . . . 10.0 112.775 -178.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 3.0 p -62.93 -56.68 15.09 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.026 -0.731 . . . . 10.0 109.026 178.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 59.1 tttp -63.26 -39.83 95.7 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.57 -0.741 . . . . 10.0 109.497 178.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 444' ' ' ASP . . . . . 0.713 ' O ' ' HB ' ' D' ' 448' ' ' VAL . 12.0 t0 -58.08 -53.89 53.14 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.496 -0.774 . . . . 10.0 111.671 -179.673 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 445' ' ' LEU . . . . . 0.5 ' O ' HG12 ' D' ' 448' ' ' VAL . 67.7 mt -73.08 -44.0 61.1 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 113.339 0.866 . . . . 10.0 113.339 -178.604 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -64.75 -43.14 94.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.854 0.359 . . . . 10.0 111.326 -179.147 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 447' ' ' GLU . . . . . 0.586 ' HB3' HH21 ' A' ' 330' ' ' ARG . 31.1 tt0 -75.73 -29.06 58.77 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.459 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 448' ' ' VAL . . . . . 0.713 ' HB ' ' O ' ' D' ' 444' ' ' ASP . 0.3 OUTLIER -63.64 -28.33 44.77 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.194 0 CA-C-O 120.767 0.317 . . . . 10.0 110.184 179.421 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -64.29 -42.43 96.39 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 108.263 -1.014 . . . . 10.0 108.263 178.138 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -81.42 7.49 11.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.496 -0.775 . . . . 10.0 110.571 179.448 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 451' ' ' LYS . . . . . 0.526 ' O ' ' HB2' ' D' ' 455' ' ' TYR . 48.9 mttm -113.89 -45.7 3.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.365 179.33 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 87.3 t -69.38 -35.91 69.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 CA-C-N 116.152 -0.476 . . . . 10.0 111.04 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -58.92 -59.2 14.58 Favored Pre-proline 0 C--N 1.325 -0.468 0 N-CA-C 112.231 0.456 . . . . 10.0 112.231 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -67.33 -23.17 44.91 Favored 'Trans proline' 0 C--N 1.356 0.962 0 C-N-CA 121.952 1.768 . . . . 10.0 110.979 178.621 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 455' ' ' TYR . . . . . 0.526 ' HB2' ' O ' ' D' ' 451' ' ' LYS . 55.2 t80 -68.62 -51.65 39.99 Favored 'General case' 0 CA--C 1.516 -0.347 0 N-CA-C 109.107 -0.701 . . . . 10.0 109.107 179.266 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 44.3 mt -68.28 -27.88 66.71 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.622 -0.717 . . . . 10.0 110.423 179.294 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -68.59 -50.75 49.18 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.482 -0.562 . . . . 10.0 109.482 178.484 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 458' ' ' ASP . . . . . 0.61 ' HA ' ' HD2' ' D' ' 461' ' ' LYS . 33.0 t70 -63.83 -37.76 88.58 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 121.286 0.565 . . . . 10.0 109.584 178.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -67.85 -39.91 83.76 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.736 -0.665 . . . . 10.0 110.114 178.443 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -65.16 -37.92 88.9 Favored 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 109.468 -0.567 . . . . 10.0 109.468 178.52 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 461' ' ' LYS . . . . . 0.61 ' HD2' ' HA ' ' D' ' 458' ' ' ASP . 64.9 mttt -58.37 -46.33 86.55 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.817 -0.808 . . . . 10.0 108.817 178.003 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 462' ' ' LYS . . . . . 0.648 ' HB3' H281 ' D' ' 602' ' ' PCW . 10.8 mtmm -65.87 -38.83 89.83 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.287 -0.87 . . . . 10.0 110.271 178.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 463' ' ' TRP . . . . . 0.707 ' HE1' ' H75' ' D' ' 629' ' ' 17F . 24.6 m0 -65.92 -39.31 90.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.362 -0.381 . . . . 10.0 110.073 178.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -63.53 -47.45 81.59 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 108.384 -0.969 . . . . 10.0 108.384 178.122 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 465' ' ' GLU . . . . . 0.504 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 44.1 mt-10 -58.73 -49.75 76.46 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.424 -0.807 . . . . 10.0 109.897 178.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 466' ' ' GLU . . . . . 0.69 ' OE2' H262 ' D' ' 602' ' ' PCW . 0.0 OUTLIER -60.25 -45.14 94.32 Favored 'General case' 0 C--N 1.331 -0.214 0 O-C-N 123.453 0.471 . . . . 10.0 111.637 179.862 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 58.2 mtm -61.03 -41.15 96.03 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.813 -0.44 . . . . 10.0 109.813 178.701 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -68.06 -42.21 80.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 10.0 109.756 178.471 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 469' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' D' ' 465' ' ' GLU . 64.9 mt -61.56 -44.3 97.29 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.138 179.732 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 20.1 m-30 -61.5 -32.75 72.79 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.697 179.132 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 471' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' D' ' 471' ' ' ARG . 45.1 mtt180 -71.08 -24.73 62.37 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.381 -0.372 . . . . 10.0 110.147 178.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -102.94 3.26 36.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.919 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 473' ' ' LYS . . . . . 0.439 ' HE2' ' HB3' ' D' ' 469' ' ' LEU . 51.6 mttm -127.18 -75.51 0.58 Allowed 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 116.117 -0.492 . . . . 10.0 111.19 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 46.0 t -57.71 -43.36 83.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 N-CA-C 111.851 0.315 . . . . 10.0 111.851 -179.412 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -59.85 -59.38 14.02 Favored Pre-proline 0 CA--C 1.537 0.459 0 N-CA-C 112.977 0.732 . . . . 10.0 112.977 -179.665 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -64.56 -35.75 46.5 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 121.605 1.537 . . . . 10.0 111.173 178.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 21.5 mt -66.98 -27.61 67.58 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 116.469 -0.332 . . . . 10.0 110.763 179.204 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 478' ' ' ARG . . . . . 0.502 ' O ' ' HB2' ' D' ' 482' ' ' GLN . 9.6 ttt180 -62.4 -41.3 98.57 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.995 -0.743 . . . . 10.0 108.995 178.613 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -75.18 -36.61 61.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.584 -0.735 . . . . 10.0 110.084 179.07 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -65.67 -45.83 81.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.978 -0.555 . . . . 10.0 109.607 179.222 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 90.6 mt -70.96 -30.17 66.38 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.959 -0.564 . . . . 10.0 109.638 178.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 482' ' ' GLN . . . . . 0.502 ' HB2' ' O ' ' D' ' 478' ' ' ARG . 47.4 tp60 -66.2 -43.39 86.88 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 109.327 -0.62 . . . . 10.0 109.327 178.649 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -63.56 -41.42 98.41 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 108.548 -0.908 . . . . 10.0 108.548 178.484 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -66.02 -38.41 94.06 Favored Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 110.623 -0.991 . . . . 10.0 110.623 178.506 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -65.99 -39.72 90.57 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.434 -0.58 . . . . 10.0 109.434 178.615 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 75.2 mtt180 -64.44 -43.98 92.6 Favored 'General case' 0 CA--C 1.514 -0.406 0 N-CA-C 108.335 -0.987 . . . . 10.0 108.335 178.159 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 487' ' ' GLN . . . . . 0.41 ' O ' ' HG3' ' D' ' 491' ' ' GLU . 14.9 mm100 -59.81 -45.13 93.31 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.353 -0.84 . . . . 10.0 109.859 178.144 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 63.8 tttt -66.52 -38.23 86.74 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-N 116.422 -0.354 . . . . 10.0 110.44 179.121 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.31 -41.69 98.97 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 108.468 -0.938 . . . . 10.0 108.468 178.338 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -62.67 -44.06 97.22 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 108.82 -0.807 . . . . 10.0 108.82 177.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 491' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' D' ' 487' ' ' GLN . 37.7 mt-10 -59.88 -44.78 94.0 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.794 -0.639 . . . . 10.0 109.331 178.503 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 89.3 mt -68.4 -38.33 81.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.518 -0.765 . . . . 10.0 111.32 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -61.98 -38.3 88.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.302 0.572 . . . . 10.0 109.612 178.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -73.95 4.88 4.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.399 -0.819 . . . . 10.0 110.988 178.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 495' ' ' LYS . . . . . 0.758 ' HE3' HD22 ' A' ' 279' ' ' LEU . 49.6 mttp -121.13 -46.87 2.29 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.643 -0.708 . . . . 10.0 109.754 178.812 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 496' ' ' LEU . . . . . 0.491 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 18.9 mt -61.05 -25.46 66.94 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.161 -0.472 . . . . 10.0 111.807 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 497' ' ' SER . . . . . 0.543 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 1.9 m -81.06 -64.5 0.28 Allowed Pre-proline 0 CA--C 1.542 0.66 0 C-N-CA 120.748 -0.381 . . . . 10.0 111.698 179.348 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 498' ' ' PRO . . . . . 0.543 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 33.2 Cg_endo -66.01 -49.08 2.27 Favored 'Trans proline' 0 C--N 1.357 1.012 0 C-N-CA 121.907 1.738 . . . . 10.0 112.474 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 499' ' ' LEU . . . . . 0.579 ' HB2' ' O ' ' D' ' 495' ' ' LYS . 40.7 mt -71.86 -29.11 64.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.823 0.344 . . . . 10.0 110.09 179.559 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 500' ' ' GLY . . . . . 0.491 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -64.79 -51.8 48.28 Favored Glycine 0 N--CA 1.448 -0.507 0 N-CA-C 109.905 -1.278 . . . . 10.0 109.905 178.596 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 501' ' ' GLU . . . . . 0.438 ' HA ' ' HD2' ' D' ' 504' ' ' ARG . 20.2 mt-10 -65.63 -32.97 74.83 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 109.722 -0.473 . . . . 10.0 109.722 178.377 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 502' ' ' GLU . . . . . 0.56 ' HG2' ' HE ' ' D' ' 506' ' ' ARG . 28.5 tt0 -65.4 -46.64 79.24 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.798 -0.637 . . . . 10.0 109.92 179.301 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 503' ' ' MET . . . . . 0.408 ' HA ' ' HD2' ' D' ' 506' ' ' ARG . 89.2 mmm -61.99 -36.93 82.98 Favored 'General case' 0 CA--C 1.52 -0.182 0 N-CA-C 109.286 -0.635 . . . . 10.0 109.286 178.773 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 504' ' ' ARG . . . . . 0.438 ' HD2' ' HA ' ' D' ' 501' ' ' GLU . 87.2 mtt180 -63.68 -44.58 93.3 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-N 115.61 -0.723 . . . . 10.0 109.222 177.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 505' ' ' ASP . . . . . 0.498 ' HA ' ' HD2' ' D' ' 508' ' ' ARG . 0.5 OUTLIER -64.16 -42.82 96.59 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.275 179.069 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' D' D ' 506' ' ' ARG . . . . . 0.56 ' HE ' ' HG2' ' D' ' 502' ' ' GLU . 56.4 mtt180 -59.09 -48.14 82.68 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 108.801 -0.814 . . . . 10.0 108.801 178.14 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -60.69 -40.1 90.93 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.669 -0.696 . . . . 10.0 110.309 179.303 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 508' ' ' ARG . . . . . 0.498 ' HD2' ' HA ' ' D' ' 505' ' ' ASP . 78.3 mtt180 -59.04 -45.94 89.47 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.501 -0.555 . . . . 10.0 109.501 178.734 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 509' ' ' ALA . . . . . 0.602 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -63.58 -38.41 91.01 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.353 -0.84 . . . . 10.0 110.955 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 510' ' ' HIS . . . . . 0.524 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 68.2 m-70 -70.34 -48.22 57.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.44 -0.346 . . . . 10.0 110.513 179.321 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 70.8 t -63.12 -45.21 99.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.361 -0.382 . . . . 10.0 110.744 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 512' ' ' ASP . . . . . 0.413 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 29.0 t70 -62.27 -37.2 84.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.086 0.47 . . . . 10.0 110.671 179.617 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -66.63 -42.06 87.32 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.842 -0.799 . . . . 10.0 108.842 178.239 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 514' ' ' LEU . . . . . 0.535 ' HA ' ' HB2' ' D' ' 517' ' ' HIS . 97.8 mt -60.48 -26.21 66.63 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.638 179.123 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 515' ' ' ARG . . . . . 0.498 ' O ' ' HD3' ' D' ' 520' ' ' PRO . 76.7 mtt180 -68.56 -24.12 64.58 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.926 -0.398 . . . . 10.0 109.926 178.654 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -108.2 -4.76 17.31 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.349 0.595 . . . . 10.0 109.981 179.37 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 517' ' ' HIS . . . . . 0.535 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 27.4 m170 -105.41 -69.37 0.82 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.678 -0.692 . . . . 10.0 111.562 -179.473 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 38.1 mt -74.3 -46.19 42.65 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.858 0.688 . . . . 10.0 112.858 -178.468 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 519' ' ' ALA . . . . . 0.631 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -54.29 -57.92 16.19 Favored Pre-proline 0 N--CA 1.467 0.388 0 N-CA-C 113.235 0.828 . . . . 10.0 113.235 -179.122 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 520' ' ' PRO . . . . . 0.631 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 32.5 Cg_exo -64.16 -34.98 55.14 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 121.937 1.758 . . . . 10.0 110.904 179.251 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 521' ' ' TYR . . . . . 0.503 ' HB2' ' O ' ' D' ' 517' ' ' HIS . 12.4 t80 -65.0 -32.18 73.78 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.021 179.177 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 522' ' ' SER . . . . . 0.513 ' O ' ' HG3' ' D' ' 526' ' ' ARG . 41.8 m -65.94 -34.02 77.15 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 109.162 -0.681 . . . . 10.0 109.162 178.62 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 523' ' ' ASP . . . . . 0.581 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 34.4 t70 -71.91 -41.18 68.22 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-N 115.698 -0.683 . . . . 10.0 109.308 178.664 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -67.16 -32.23 73.18 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 109.146 -0.687 . . . . 10.0 109.146 178.116 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 22.6 mt -67.04 -34.01 76.76 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-N 115.63 -0.714 . . . . 10.0 109.368 177.666 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 526' ' ' ARG . . . . . 0.581 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 72.8 mtt180 -62.46 -37.72 87.04 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.076 -0.511 . . . . 10.0 109.839 178.589 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -63.06 -39.78 95.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.536 0.684 . . . . 10.0 109.796 179.467 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 528' ' ' ARG . . . . . 0.558 ' HB3' ' OE1' ' A' ' 242' ' ' GLU . 80.2 mtt180 -75.03 -48.12 25.61 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.014 -0.994 . . . . 10.0 110.223 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 69.7 mt -58.38 -37.77 75.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.924 179.574 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -61.35 -40.69 95.21 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.892 0.377 . . . . 10.0 110.076 178.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -70.8 -43.45 68.64 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.011 -0.54 . . . . 10.0 109.728 179.335 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 532' ' ' ARG . . . . . 0.595 ' O ' ' HG ' ' D' ' 536' ' ' LEU . 10.5 ttm180 -59.52 -47.14 86.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.438 -0.801 . . . . 10.0 110.02 179.365 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 71.6 mt -67.31 -36.49 81.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.901 -0.591 . . . . 10.0 110.665 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -62.13 -45.79 91.91 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 109.483 -0.562 . . . . 10.0 109.483 179.395 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -63.58 -39.36 94.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.55 -0.75 . . . . 10.0 109.461 178.76 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 536' ' ' LEU . . . . . 0.595 ' HG ' ' O ' ' D' ' 532' ' ' ARG . 54.0 mt -66.48 -34.44 77.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.855 -0.611 . . . . 10.0 110.815 179.689 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -74.46 -42.3 59.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.649 179.467 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -64.3 -44.32 92.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.526 0.679 . . . . 10.0 109.564 179.189 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -70.94 -34.59 71.62 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.615 -0.72 . . . . 10.0 109.549 178.633 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -66.66 -46.55 74.96 Favored Glycine 0 CA--C 1.508 -0.38 0 N-CA-C 111.283 -0.727 . . . . 10.0 111.283 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -59.41 -38.85 94.05 Favored Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 110.606 -0.998 . . . . 10.0 110.606 178.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -69.09 -45.09 71.14 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.4 -0.593 . . . . 10.0 109.4 178.338 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 56.5 mtt85 -63.51 -29.66 70.9 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 115.871 -0.604 . . . . 10.0 111.4 179.355 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 544' ' ' LEU . . . . . 0.415 ' O ' ' HB2' ' D' ' 548' ' ' HIS . 61.3 mt -66.64 -29.66 69.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.443 0.64 . . . . 10.0 109.354 178.485 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -81.1 -42.9 20.26 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 108.411 -0.959 . . . . 10.0 108.411 178.119 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -61.19 -47.37 86.46 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.523 -0.762 . . . . 10.0 109.668 178.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -62.83 -40.65 98.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.35 179.266 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 548' ' ' HIS . . . . . 0.415 ' HB2' ' O ' ' D' ' 544' ' ' LEU . 1.3 t-80 -63.92 -43.25 96.47 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.435 -0.58 . . . . 10.0 109.435 178.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 549' ' ' ALA . . . . . 0.634 ' O ' ' HG3' ' D' ' 553' ' ' GLU . . . -64.01 -49.76 71.18 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.438 -0.801 . . . . 10.0 109.093 178.454 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.09 -40.43 85.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.996 179.68 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -63.2 -37.42 87.16 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.342 -0.614 . . . . 10.0 109.342 178.542 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 42.9 m -67.39 -47.49 70.17 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.889 -0.782 . . . . 10.0 108.889 178.644 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 553' ' ' GLU . . . . . 0.634 ' HG3' ' O ' ' D' ' 549' ' ' ALA . 31.6 mt-10 -60.29 -40.72 91.46 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.813 -0.63 . . . . 10.0 110.386 179.276 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 79.5 t60 -68.46 -41.64 79.91 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.749 -0.66 . . . . 10.0 109.86 179.445 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 20.8 tp -62.97 -40.27 97.2 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.307 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 1.2 p -65.0 -38.73 91.92 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.586 -0.279 . . . . 10.0 110.495 179.288 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 3.8 p -75.43 -31.31 60.31 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 120.855 0.359 . . . . 10.0 110.591 178.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 558' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' D' ' 558' ' ' LEU . 14.3 mt -62.8 -52.14 64.33 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 115.894 -0.594 . . . . 10.0 109.858 179.379 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 3.8 p -66.58 -35.63 80.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.447 . . . . 10.0 110.567 179.592 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -60.61 -32.24 71.38 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.488 -0.778 . . . . 10.0 111.287 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.06 -34.39 10.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.429 . . . . 10.0 111.721 -179.729 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -58.02 -45.05 87.53 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.918 0.34 . . . . 10.0 111.918 -179.412 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -55.44 -62.39 4.53 Favored Pre-proline 0 CA--C 1.533 0.311 0 N-CA-C 112.473 0.546 . . . . 10.0 112.473 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -63.76 -34.42 61.82 Favored 'Trans proline' 0 C--N 1.354 0.861 0 C-N-CA 121.832 1.688 . . . . 10.0 111.913 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -62.47 -52.82 61.99 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 120.593 0.235 . . . . 10.0 110.399 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 86.5 mt -59.72 -46.55 88.76 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.363 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -58.57 -53.42 58.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.981 -0.554 . . . . 10.0 111.353 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.8 -40.64 97.12 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.17 -0.468 . . . . 10.0 111.396 -179.422 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 38.3 mt -60.58 -44.25 96.41 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 110.081 -0.34 . . . . 10.0 110.081 179.128 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 -68.37 -41.83 80.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.857 0.36 . . . . 10.0 110.045 179.17 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -62.32 -23.72 66.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.767 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 572' ' ' GLY . . . . . 0.495 ' O ' ' HB ' ' D' ' 576' ' ' VAL . . . -96.14 -32.7 6.61 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.8 -0.714 . . . . 10.0 111.63 178.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 573' ' ' LEU . . . . . 0.436 ' HA ' HG12 ' D' ' 576' ' ' VAL . 34.9 mt -66.29 -40.76 90.26 Favored 'General case' 0 C--O 1.224 -0.254 0 C-N-CA 122.413 0.285 . . . . 10.0 111.609 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 574' ' ' LEU . . . . . 0.516 ' O ' ' HG2' ' D' ' 578' ' ' GLU . 92.2 mt -55.64 -61.19 6.64 Favored Pre-proline 0 CA--C 1.536 0.426 0 N-CA-C 112.071 0.397 . . . . 10.0 112.071 179.51 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -64.79 -37.94 32.96 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 121.851 1.701 . . . . 10.0 111.754 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 576' ' ' VAL . . . . . 0.495 ' HB ' ' O ' ' D' ' 572' ' ' GLY . 0.3 OUTLIER -64.64 -37.16 79.38 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 C-N-CA 121.306 -0.158 . . . . 10.0 111.227 -179.862 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 29.5 mt -68.65 -39.9 80.47 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 109.477 -0.564 . . . . 10.0 109.477 178.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 578' ' ' GLU . . . . . 0.576 ' HA ' ' HD2' ' D' ' 581' ' ' LYS . 23.1 mm-40 -65.12 -40.27 94.24 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.295 -0.631 . . . . 10.0 109.295 178.471 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 20.0 m -65.99 -43.96 86.25 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.209 -0.663 . . . . 10.0 109.209 178.58 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -60.07 -38.47 82.97 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.809 -0.632 . . . . 10.0 110.025 178.693 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 581' ' ' LYS . . . . . 0.576 ' HD2' ' HA ' ' D' ' 578' ' ' GLU . 91.4 mttt -57.67 -43.78 85.27 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.479 -0.563 . . . . 10.0 109.479 178.299 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 88.2 t -61.58 -43.69 97.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.765 -0.652 . . . . 10.0 110.207 179.124 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 1.1 m -65.07 -43.5 92.0 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.471 179.219 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -66.53 -48.05 70.98 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.128 -0.487 . . . . 10.0 111.027 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 16.1 mt -56.09 -47.82 77.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.242 -0.435 . . . . 10.0 111.305 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 11.0 p -67.26 -41.4 85.6 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.386 -0.37 . . . . 10.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 587' ' ' ALA . . . . . 0.589 ' HA ' ' HE2' ' A' ' 396' ' ' LYS . . . -62.72 -53.26 57.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.732 179.746 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 73.5 mt -60.7 -43.01 98.29 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.023 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 589' ' ' GLU . . . . . 0.502 ' O ' ' HG3' ' D' ' 593' ' ' LYS . 13.4 tt0 -58.25 -53.97 52.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.338 -0.392 . . . . 10.0 110.868 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -67.76 -35.29 78.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.26 -0.427 . . . . 10.0 111.759 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 591' ' ' TYR . . . . . 0.562 ' HB3' ' H48' ' D' ' 630' ' ' 17F . 4.0 m-30 -59.37 -43.45 92.87 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-O 121.021 0.438 . . . . 10.0 110.109 179.03 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 7.4 m -65.71 -19.42 65.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.683 -0.69 . . . . 10.0 110.985 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 593' ' ' LYS . . . . . 0.502 ' HG3' ' O ' ' D' ' 589' ' ' GLU . 82.3 mttt -90.6 -36.71 14.26 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.223 -0.444 . . . . 10.0 109.973 179.273 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 594' ' ' LYS . . . . . 0.581 ' HE2' ' HB2' ' A' ' 388' ' ' SER . 8.9 mptt -75.36 -20.63 58.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.715 -0.675 . . . . 10.0 110.618 179.603 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 72.2 mt -120.17 32.79 5.86 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.688 -0.687 . . . . 10.0 109.234 178.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 . . . . . 0 C--N 1.324 -0.525 0 CA-C-N 115.42 -0.809 . . . . 10.0 111.26 -179.02 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 15.0 m . . . . . 0 C--O 1.232 0.158 0 CA-C-O 121.076 0.465 . . . . 10.0 110.507 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -102.38 157.41 16.93 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.292 -0.632 . . . . 10.0 109.292 179.561 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -130.66 122.74 27.92 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.685 -0.487 . . . . 10.0 109.685 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 99.8 m-85 -121.35 118.89 30.61 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.931 0.396 . . . . 10.0 111.302 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.423 ' HD3' HG22 ' B' ' 74' ' ' THR . 48.4 mttm -85.57 118.37 25.05 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.884 -0.598 . . . . 10.0 109.954 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.477 ' O ' ' HA ' ' B' ' 55' ' ' ILE . 12.0 mt -118.22 122.59 43.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.357 -0.383 . . . . 10.0 111.098 -178.326 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 59.3 t -108.68 123.68 64.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 116.436 -0.347 . . . . 10.0 110.191 179.346 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.656 HG12 ' HD2' ' B' ' 16' ' ' LYS . 6.3 t -90.39 107.44 18.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 110.02 -0.363 . . . . 10.0 110.02 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 5.9 m -108.61 152.99 10.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.506 -179.334 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 152.75 -172.42 31.83 Favored Glycine 0 N--CA 1.445 -0.759 0 CA-C-N 115.526 -0.761 . . . . 10.0 111.446 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.94 -167.04 1.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.099 0.476 . . . . 10.0 111.543 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.5 144.46 30.91 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.846 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 13' ' ' GLY . . . . . 0.812 ' HA2' H5'1 ' B' ' 201' ' ' GSP . . . 78.24 3.22 85.24 Favored Glycine 0 N--CA 1.455 -0.099 0 CA-C-N 115.983 -0.553 . . . . 10.0 113.27 179.528 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.461 HG12 ' HB2' ' B' ' 83' ' ' ALA . 26.8 m -76.43 -19.84 15.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.692 0.282 . . . . 10.0 111.56 -179.447 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 15' ' ' GLY . . . . . 0.652 ' O ' ' HG ' ' B' ' 19' ' ' LEU . . . 107.8 19.88 8.85 Favored Glycine 0 C--N 1.33 0.216 0 C-N-CA 120.478 -0.868 . . . . 10.0 114.117 178.452 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.656 ' HD2' HG12 ' B' ' 8' ' ' VAL . 1.2 mtmp? -58.52 -34.68 71.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.147 0.499 . . . . 10.0 111.109 179.768 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 3.4 m -81.42 -42.59 20.16 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.978 -0.556 . . . . 10.0 110.085 179.426 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.42 -44.18 76.01 Favored 'General case' 0 C--O 1.234 0.278 0 O-C-N 123.57 0.544 . . . . 10.0 111.066 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.743 HD23 ' HB2' ' B' ' 146' ' ' ALA . 57.4 mt -64.75 -49.12 72.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.046 -0.525 . . . . 10.0 111.135 179.748 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 21.8 m -61.72 -42.96 99.65 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.324 -0.398 . . . . 10.0 111.936 -179.563 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.83 -31.46 53.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.989 0.423 . . . . 10.0 111.221 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' GLN . . . . . 0.437 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 5.2 mm-40 -72.17 -14.5 61.83 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.355 -0.384 . . . . 10.0 111.165 179.191 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 17.6 tp -98.06 -40.33 8.48 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.977 0.418 . . . . 10.0 110.844 179.428 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 37.1 mm -77.21 -77.1 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.368 -179.446 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -77.01 -18.76 57.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.82 0.343 . . . . 10.0 111.074 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' ASN . . . . . 0.437 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 16.5 m-80 66.22 41.17 3.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.885 -0.598 . . . . 10.0 112.564 178.798 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -140.98 156.47 46.04 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.436 -0.347 . . . . 10.0 110.102 178.646 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -105.68 138.29 42.11 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.676 0.275 . . . . 10.0 111.482 -179.298 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 6.7 m -119.85 141.93 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.784 179.4 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -100.53 -8.51 23.01 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.444 0.64 . . . . 10.0 109.874 179.389 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -80.44 129.05 34.26 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.116 -0.947 . . . . 10.0 109.931 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' TYR . . . . . 0.425 ' CD1' H5'2 ' B' ' 201' ' ' GSP . 32.2 t80 -82.22 114.45 20.73 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.96 0.409 . . . . 10.0 110.922 -179.494 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 33' ' ' ASP . . . . . 0.447 ' O ' ' S1G' ' B' ' 201' ' ' GSP . 9.4 t70 -117.75 101.16 52.34 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.494 179.397 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -57.93 106.8 0.27 Allowed 'Trans proline' 0 C--O 1.234 0.282 0 C-N-CA 122.797 2.331 . . . . 10.0 111.358 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.433 ' OG1' ' O3G' ' B' ' 201' ' ' GSP . 0.2 OUTLIER -89.2 114.73 26.08 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 115.764 -0.653 . . . . 10.0 109.885 -179.645 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 38.4 mm -79.68 -49.31 19.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.108 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' GLU . . . . . 0.669 ' HG2' HD11 ' B' ' 56' ' ' LEU . 5.7 tt0 -170.86 87.44 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.514 -0.766 . . . . 10.0 109.188 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -123.5 139.28 54.17 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.566 -0.288 . . . . 10.0 110.791 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' SER . . . . . 0.402 ' HA ' ' O ' ' B' ' 55' ' ' ILE . 19.5 p -124.4 157.45 35.08 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 111.937 0.347 . . . . 10.0 111.937 -179.326 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -135.86 152.38 50.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.443 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -118.8 123.7 45.42 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.158 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 52.6 tttp -138.27 144.82 40.69 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.487 -0.324 . . . . 10.0 110.147 179.439 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' GLN . . . . . 0.487 ' HG2' HG22 ' B' ' 50' ' ' THR . 20.5 tt0 -109.44 123.41 49.32 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.409 -0.359 . . . . 10.0 110.159 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 44' ' ' VAL . . . . . 0.444 HG23 HG13 ' B' ' 46' ' ' ILE . 3.3 m -131.28 162.28 39.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.41 -0.359 . . . . 10.0 110.975 -179.474 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 2.5 m -104.65 56.22 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 121.289 0.566 . . . . 10.0 111.212 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 46' ' ' ILE . . . . . 0.665 HD13 ' HA ' ' B' ' 157' ' ' TYR . 20.3 mt -62.72 123.59 15.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.928 -0.578 . . . . 10.0 111.412 -179.711 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 47' ' ' ASP . . . . . 0.62 ' HA ' ' HB3' ' C' ' 128' ' ' LYS . 63.8 m-20 64.14 16.58 10.11 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.41 -0.814 . . . . 10.0 112.349 179.703 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.76 6.22 62.35 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.781 -0.723 . . . . 10.0 112.905 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -120.9 125.36 47.26 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.686 0.279 . . . . 10.0 110.843 179.754 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' THR . . . . . 0.487 HG22 ' HG2' ' B' ' 43' ' ' GLN . 0.2 OUTLIER -72.81 120.47 18.48 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.036 0.446 . . . . 10.0 110.204 179.366 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -136.55 153.19 51.06 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.495 -179.535 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 42.4 tp -98.03 129.43 44.89 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.922 -0.581 . . . . 10.0 109.691 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 19.9 mt -102.09 128.33 48.61 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.884 0.374 . . . . 10.0 111.537 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 54' ' ' ASP . . . . . 0.405 ' HB3' ' HA ' ' B' ' 5' ' ' LYS . 30.3 t70 -106.61 83.83 1.92 Allowed 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.005 -1.109 . . . . 10.0 108.005 177.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 55' ' ' ILE . . . . . 0.477 ' HA ' ' O ' ' B' ' 6' ' ' LEU . 61.3 mt -87.56 128.21 40.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.251 -178.481 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.669 HD11 ' HG2' ' B' ' 37' ' ' GLU . 27.3 tp -122.08 118.6 29.12 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.263 -0.426 . . . . 10.0 111.228 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -98.09 109.5 22.25 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-O 121.118 0.485 . . . . 10.0 110.016 178.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.14 176.68 5.99 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.917 -0.583 . . . . 10.0 111.014 -179.693 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -80.6 151.24 29.17 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.189 0.519 . . . . 10.0 111.924 -178.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -117.88 23.4 9.42 Favored Glycine 0 N--CA 1.45 -0.426 0 N-CA-C 110.32 -1.112 . . . . 10.0 110.32 179.058 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -89.56 3.49 52.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.418 -0.391 . . . . 10.0 111.132 -179.457 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.426 ' HB3' ' H ' ' B' ' 63' ' ' GLU . 27.5 mm-40 61.83 -159.77 0.31 Allowed 'General case' 0 C--O 1.234 0.284 0 O-C-N 123.328 0.393 . . . . 10.0 110.075 -178.335 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.426 ' H ' ' HB3' ' B' ' 62' ' ' GLU . 0.6 OUTLIER 58.44 39.84 24.74 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.09 0.471 . . . . 10.0 110.266 179.709 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -145.17 41.56 1.27 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.866 -179.332 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.79 -47.06 77.77 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.49 0.552 . . . . 10.0 112.49 -179.358 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -74.75 -25.02 58.81 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.876 0.324 . . . . 10.0 111.876 -179.072 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 67' ' ' MET . . . . . 0.498 ' HG2' ' HE1' ' B' ' 71' ' ' TYR . 20.9 ttt -80.24 -41.18 25.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.981 0.42 . . . . 10.0 110.605 -179.763 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 68' ' ' ARG . . . . . 0.694 ' HA ' ' CZ ' ' B' ' 71' ' ' TYR . 11.0 ttp180 -62.31 -34.04 75.83 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.85 -0.614 . . . . 10.0 111.574 -179.511 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.29 2.39 4.84 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.021 -0.536 . . . . 10.0 112.288 -179.472 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -100.3 -67.25 0.86 Allowed 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 111.968 0.359 . . . . 10.0 111.968 -179.619 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 71' ' ' TYR . . . . . 0.694 ' CZ ' ' HA ' ' B' ' 68' ' ' ARG . 9.0 p90 -62.56 -18.8 62.83 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 112.919 0.711 . . . . 10.0 112.919 -178.758 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 19.7 mtt -66.13 -26.35 67.41 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-O 121.142 0.496 . . . . 10.0 110.394 179.069 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 -72.25 -43.12 64.8 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.19 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 74' ' ' THR . . . . . 0.423 HG22 ' HD3' ' B' ' 5' ' ' LYS . 0.2 OUTLIER -74.37 -40.26 62.21 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.891 -0.595 . . . . 10.0 111.973 -179.379 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -57.13 118.54 12.52 Favored Glycine 0 C--N 1.33 0.215 0 C-N-CA 121.177 -0.535 . . . . 10.0 113.826 -179.106 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -88.84 -38.06 14.89 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.24 0.543 . . . . 10.0 109.699 179.177 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 77' ' ' GLY . . . . . 0.407 ' HA3' HD11 ' B' ' 163' ' ' ILE . . . -121.33 130.53 8.2 Favored Glycine 0 N--CA 1.448 -0.564 0 N-CA-C 110.864 -0.894 . . . . 10.0 110.864 179.075 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 78' ' ' PHE . . . . . 0.466 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 73.3 m-85 -109.9 121.7 45.85 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.079 0.466 . . . . 10.0 111.522 -179.204 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.538 ' HB2' HD22 ' B' ' 159' ' ' LEU . 21.6 tp -103.5 101.32 11.2 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.819 -0.628 . . . . 10.0 109.634 179.308 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 80' ' ' CYS . . . . . 0.626 ' HB3' HD12 ' B' ' 93' ' ' ILE . 2.9 m -83.95 108.1 16.72 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.855 -179.548 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 40.8 t -103.79 124.06 57.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.611 -0.722 . . . . 10.0 110.43 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 34.6 p90 -124.23 163.44 21.59 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.108 179.543 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.673 ' HB3' ' HB3' ' B' ' 86' ' ' ASN . . . -101.93 124.5 47.65 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.859 -0.423 . . . . 10.0 109.859 179.643 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 29.3 pt -65.84 -15.5 18.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.829 0.347 . . . . 10.0 111.383 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 85' ' ' ASN . . . . . 0.415 ' OD1' ' HB1' ' B' ' 83' ' ' ALA . 19.3 p-10 -102.13 8.41 40.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.762 -0.654 . . . . 10.0 110.563 179.264 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.673 ' HB3' ' HB3' ' B' ' 83' ' ' ALA . 24.8 t-20 -134.96 103.75 5.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.024 0.44 . . . . 10.0 110.75 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.44 -39.93 85.18 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.596 0.591 . . . . 10.0 112.596 -179.304 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -53.87 -51.49 63.5 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.461 0.541 . . . . 10.0 112.461 -178.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 77.7 p -57.06 -40.56 77.07 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.962 0.727 . . . . 10.0 112.962 -179.009 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -66.57 -46.35 76.31 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.084 0.402 . . . . 10.0 112.084 -179.18 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -71.17 -31.71 68.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.857 0.36 . . . . 10.0 111.111 -179.667 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.6 -26.31 68.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.816 -0.629 . . . . 10.0 111.776 -179.336 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 93' ' ' ILE . . . . . 0.626 HD12 ' HB3' ' B' ' 80' ' ' CYS . 51.5 mm -55.68 -35.83 40.41 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.889 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -63.36 -41.92 98.86 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.22 -0.445 . . . . 10.0 110.344 179.401 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 74.7 m80 -63.67 -42.73 98.03 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.008 -0.542 . . . . 10.0 110.439 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 96' ' ' TYR . . . . . 0.426 ' O ' HG13 ' B' ' 100' ' ' ILE . 57.2 m-85 -63.46 -41.85 98.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.605 -0.725 . . . . 10.0 110.298 179.472 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -57.64 -47.69 81.54 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.815 -0.63 . . . . 10.0 111.849 -179.462 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -63.02 -36.25 82.95 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.576 -0.284 . . . . 10.0 111.455 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 99' ' ' GLN . . . . . 0.443 ' O ' HG23 ' B' ' 103' ' ' VAL . 62.6 tt0 -68.24 -41.38 81.27 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 121.014 -0.274 . . . . 10.0 110.297 179.19 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 100' ' ' ILE . . . . . 0.481 HG21 HG11 ' B' ' 109' ' ' VAL . 97.9 mt -56.94 -45.75 83.68 Favored 'Isoleucine or valine' 0 C--O 1.239 0.515 0 CA-C-O 121.021 0.439 . . . . 10.0 110.222 179.259 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 15.6 mtmt -68.32 -16.17 63.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.537 -0.756 . . . . 10.0 111.829 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? -92.63 -37.39 12.45 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.893 0.378 . . . . 10.0 110.835 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 103' ' ' VAL . . . . . 0.443 HG23 ' O ' ' B' ' 99' ' ' GLN . 49.8 t -71.06 -48.0 58.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.779 0.323 . . . . 10.0 110.848 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 104' ' ' LYS . . . . . 0.408 ' C ' ' H ' ' B' ' 106' ' ' SER . 21.9 mtpp -88.43 -17.25 30.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.398 -0.365 . . . . 10.0 110.865 -179.709 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 20.9 t70 71.57 -13.75 0.54 Allowed 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 115.662 -0.699 . . . . 10.0 112.513 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 106' ' ' SER . . . . . 0.408 ' H ' ' C ' ' B' ' 104' ' ' LYS . 23.2 t -71.07 145.75 49.7 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.971 -0.559 . . . . 10.0 112.253 -178.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -84.18 -40.99 17.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.393 0.616 . . . . 10.0 109.63 178.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -97.01 122.96 40.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.738 -0.664 . . . . 10.0 109.719 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 0.481 HG11 HG21 ' B' ' 100' ' ' ILE . 78.6 t -135.55 130.86 19.1 Favored Pre-proline 0 C--N 1.324 -0.536 0 N-CA-C 110.056 -0.349 . . . . 10.0 110.056 -179.453 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 110' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 22.3 Cg_exo -66.69 105.68 0.97 Allowed 'Trans proline' 0 C--O 1.235 0.339 0 C-N-CA 122.719 2.279 . . . . 10.0 111.706 179.291 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 111' ' ' MET . . . . . 0.466 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 50.3 mtm -137.35 147.62 45.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.163 -179.706 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 84.3 t -129.88 133.44 64.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 109.141 -0.688 . . . . 10.0 109.141 178.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 19.4 tp -95.92 111.65 23.58 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.723 -0.473 . . . . 10.0 109.723 -179.593 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 114' ' ' VAL . . . . . 0.637 HG12 ' HB ' ' B' ' 142' ' ' ILE . 4.0 m -115.9 123.28 71.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.133 0.492 . . . . 10.0 112.144 -179.602 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -95.7 112.17 4.36 Favored Glycine 0 N--CA 1.443 -0.845 0 N-CA-C 109.56 -1.416 . . . . 10.0 109.56 178.694 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 116' ' ' ASN . . . . . 0.429 ' ND2' ' N7 ' ' B' ' 201' ' ' GSP . 66.4 t30 -93.06 160.03 15.04 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 112.003 0.372 . . . . 10.0 112.003 -178.653 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 117' ' ' LYS . . . . . 0.443 ' HE2' ' C8 ' ' B' ' 201' ' ' GSP . 82.1 mttt 68.39 35.14 3.48 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.733 0.642 . . . . 10.0 112.733 179.008 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 34.7 m -67.22 2.99 1.33 Allowed 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 112.847 0.684 . . . . 10.0 112.847 179.591 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -97.1 -7.89 31.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.931 0.396 . . . . 10.0 109.974 178.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 15.2 mt -74.88 132.03 78.15 Favored Pre-proline 0 C--O 1.236 0.378 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.857 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -73.82 143.96 34.13 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.888 2.392 . . . . 10.0 111.298 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 1.5 m 58.61 80.98 0.17 Allowed 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.094 0.473 . . . . 10.0 111.738 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 17.8 ptp180 -86.27 150.75 24.14 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.295 -0.411 . . . . 10.0 111.35 -179.485 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 10.8 m -80.55 -53.86 6.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.913 0.387 . . . . 10.0 110.384 179.202 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 72.3 t -87.06 104.14 13.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.13 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -69.03 154.16 42.54 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.798 -0.637 . . . . 10.0 109.923 179.322 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.99 -35.12 70.77 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.488 -0.324 . . . . 10.0 110.717 179.714 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 128' ' ' LYS . . . . . 0.664 ' HB2' ' HA ' ' C' ' 47' ' ' ASP . 10.5 ptmm? -52.28 -39.22 60.18 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 115.469 -0.787 . . . . 10.0 112.899 -179.706 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -92.08 -33.54 14.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.777 0.322 . . . . 10.0 111.683 -179.626 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.4 -39.83 94.62 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.928 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -77.17 -34.16 56.4 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.158 -0.474 . . . . 10.0 111.418 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -63.15 -41.62 99.31 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.014 0.435 . . . . 10.0 111.415 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 34.1 tp -64.31 -48.62 74.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.028 0.442 . . . . 10.0 109.873 179.152 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.1 -35.09 77.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.664 -0.698 . . . . 10.0 110.208 179.169 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 135' ' ' ARG . . . . . 0.488 ' HG2' ' HE3' ' C' ' 165' ' ' LYS . 6.2 tmm_? -64.1 -40.44 96.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.831 -0.622 . . . . 10.0 109.903 179.291 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 32.2 m -72.7 -32.74 65.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.276 -0.42 . . . . 10.0 110.839 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 4.6 m-30 -79.36 -21.29 45.97 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.238 -0.437 . . . . 10.0 111.216 179.556 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 76.91 32.39 49.77 Favored Glycine 0 N--CA 1.45 -0.396 0 N-CA-C 111.422 -0.671 . . . . 10.0 111.422 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 46.9 pt -118.09 158.62 45.73 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 115.746 -0.227 . . . . 10.0 110.688 -179.414 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -78.4 131.99 10.94 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 122.866 2.377 . . . . 10.0 111.991 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -105.31 130.98 53.32 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.115 -0.493 . . . . 10.0 109.685 178.527 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 142' ' ' ILE . . . . . 0.637 ' HB ' HG12 ' B' ' 114' ' ' VAL . 58.2 mt -128.71 129.39 68.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 111.968 0.358 . . . . 10.0 111.968 -179.046 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -89.61 125.93 35.43 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 107.207 -1.405 . . . . 10.0 107.207 177.449 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -142.45 -177.61 5.36 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 113.57 0.952 . . . . 10.0 113.57 -177.392 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 20.8 t -168.84 121.29 0.79 Allowed 'General case' 0 C--O 1.24 0.557 0 CA-C-N 114.92 -1.036 . . . . 10.0 109.142 179.544 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 146' ' ' ALA . . . . . 0.743 ' HB2' HD23 ' B' ' 19' ' ' LEU . . . -70.84 -23.0 62.25 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.094 0.473 . . . . 10.0 110.067 -179.524 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 28.3 tttt -73.44 -46.73 46.72 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.636 -0.711 . . . . 10.0 110.974 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -78.26 -15.14 59.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.596 -0.274 . . . . 10.0 111.472 -179.704 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.54 38.95 18.62 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 121.226 0.536 . . . . 10.0 110.22 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -112.22 126.65 55.46 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.392 -0.822 . . . . 10.0 111.1 -179.103 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 70.27 16.2 73.09 Favored Glycine 0 N--CA 1.452 -0.298 0 CA-C-N 116.084 -0.507 . . . . 10.0 113.033 179.162 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 86.5 t -59.08 -60.94 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.93 0.395 . . . . 10.0 110.909 -179.565 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -69.55 -30.8 68.68 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.85 -0.614 . . . . 10.0 110.573 -179.306 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.97 -37.23 73.8 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.059 -0.519 . . . . 10.0 111.773 -179.238 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -63.15 -50.53 70.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.361 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -67.34 -39.97 85.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.927 -0.579 . . . . 10.0 110.719 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 157' ' ' TYR . . . . . 0.665 ' HA ' HD13 ' B' ' 46' ' ' ILE . 2.9 m-85 -58.07 -47.59 82.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.723 179.205 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 65.5 m -64.15 -40.44 96.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.833 -0.622 . . . . 10.0 111.231 179.557 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 159' ' ' LEU . . . . . 0.538 HD22 ' HB2' ' B' ' 79' ' ' LEU . 61.9 tp -58.87 -50.04 75.5 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.337 -0.392 . . . . 10.0 111.001 179.693 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.8 -42.13 91.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.212 0.529 . . . . 10.0 110.371 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 161' ' ' ARG . . . . . 0.676 ' HG2' ' HG3' ' C' ' 135' ' ' ARG . 9.8 ttp180 -62.46 -32.73 73.65 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.795 -0.639 . . . . 10.0 110.996 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -68.81 -34.81 76.14 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.938 0.399 . . . . 10.0 110.088 178.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 163' ' ' ILE . . . . . 0.407 HD11 ' HA3' ' B' ' 77' ' ' GLY . 55.5 mt -67.5 -38.92 81.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 108.525 -0.917 . . . . 10.0 108.525 178.398 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 72.8 mtt180 -60.81 -40.65 93.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.456 -0.793 . . . . 10.0 108.979 178.106 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 165' ' ' LYS . . . . . 0.481 ' HE3' ' HG2' ' C' ' 135' ' ' ARG . 31.2 ttmt -60.59 -47.1 87.69 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.283 -0.871 . . . . 10.0 110.049 178.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -59.54 -53.73 54.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.664 -0.698 . . . . 10.0 111.385 -179.714 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -62.02 -38.76 89.89 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.404 -0.362 . . . . 10.0 111.863 -179.002 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -66.83 -51.73 52.1 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.867 0.365 . . . . 10.0 110.838 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 169' ' ' LYS . . . . . 0.458 ' HB3' ' HE2' ' B' ' 169' ' ' LYS . 31.7 mtpt -65.78 -36.95 84.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.354 -0.384 . . . . 10.0 111.419 -179.454 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 43.9 mmm -66.86 -23.13 65.98 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 112.161 0.43 . . . . 10.0 112.161 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 68.9 m -65.89 -16.19 63.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.98 0.419 . . . . 10.0 110.573 179.447 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 23.2 mtpt -105.9 -2.19 23.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.132 -0.485 . . . . 10.0 109.99 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 173' ' ' ASP . . . . . . . . . . . . . 5.4 t70 68.69 -74.92 0.07 Allowed 'General case' 0 N--CA 1.472 0.656 0 O-C-N 123.841 0.713 . . . . 10.0 110.896 -178.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . -142.02 -60.38 0.03 OUTLIER Glycine 0 N--CA 1.444 -0.787 0 N-CA-C 109.625 -1.39 . . . . 10.0 109.625 178.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 175' ' ' LYS . . . . . . . . . . . . . 19.9 tptp 58.33 -93.06 0.04 OUTLIER 'General case' 0 C--O 1.231 0.112 0 C-N-CA 123.245 0.618 . . . . 10.0 111.892 179.581 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 176' ' ' LYS . . . . . . . . . . . . . 12.8 tptt 64.37 98.17 0.04 OUTLIER 'General case' 0 C--O 1.234 0.243 0 N-CA-C 112.579 0.585 . . . . 10.0 112.579 179.76 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 177' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -72.22 115.62 11.67 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.741 -0.663 . . . . 10.0 109.699 179.16 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 178' ' ' LYS . . . . . 0.505 ' HD2' ' O ' ' B' ' 179' ' ' LYS . 0.0 OUTLIER -171.34 -169.79 0.76 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.152 -0.477 . . . . 10.0 110.614 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 179' ' ' LYS . . . . . 0.505 ' O ' ' HD2' ' B' ' 178' ' ' LYS . 0.7 OUTLIER -91.54 -172.31 3.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.416 179.718 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 180' ' ' LYS . . . . . 0.569 ' HG3' ' H ' ' B' ' 181' ' ' SER . 15.3 pttm -40.19 -66.07 0.34 Allowed 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 112.985 0.735 . . . . 10.0 112.985 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 181' ' ' SER . . . . . 0.569 ' H ' ' HG3' ' B' ' 180' ' ' LYS . 46.0 m -142.65 34.57 1.43 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.206 -0.664 . . . . 10.0 109.206 179.14 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? 70.87 -144.37 0.07 Allowed 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.329 -0.85 . . . . 10.0 109.783 -178.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 1.8 m -138.36 89.49 2.39 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.89 -0.411 . . . . 10.0 109.89 179.073 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 184' ' ' LYS . . . . . 0.666 ' H ' ' C3 ' ' C' ' 214' ' ' 17F . 60.8 mmtt . . . . . 0 C--N 1.325 -0.468 0 CA-C-O 120.825 0.345 . . . . 10.0 111.032 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 CA--C 1.532 0.267 0 CA-C-O 121.056 0.455 . . . . 10.0 110.511 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 2' ' ' THR . . . . . 0.469 ' HB ' ' CE2' ' C' ' 4' ' ' TYR . 0.0 OUTLIER -92.59 136.69 33.01 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.944 -0.571 . . . . 10.0 109.522 179.88 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -106.14 130.42 54.03 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.873 0.368 . . . . 10.0 111.385 -179.43 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 4' ' ' TYR . . . . . 0.544 ' HE2' ' HB3' ' C' ' 51' ' ' CYS . 53.4 m-85 -120.01 117.81 29.0 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.147 -0.479 . . . . 10.0 109.841 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 5' ' ' LYS . . . . . 0.513 ' HA ' ' HB3' ' C' ' 54' ' ' ASP . 66.5 mttm -90.63 117.39 29.25 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.864 0.364 . . . . 10.0 110.304 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -127.19 137.07 52.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.084 0.469 . . . . 10.0 111.037 -178.511 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 24.9 t -118.46 132.28 68.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.382 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.489 HG13 HD23 ' C' ' 79' ' ' LEU . 10.6 t -91.6 129.59 42.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 109.949 -0.389 . . . . 10.0 109.949 179.405 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 8.8 m -119.45 165.75 14.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.054 0.454 . . . . 10.0 111.381 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 131.68 163.61 10.86 Favored Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 111.202 -0.759 . . . . 10.0 111.202 -179.678 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.44 176.93 4.94 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.099 0.476 . . . . 10.0 111.088 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -79.17 144.9 34.02 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.151 0.5 . . . . 10.0 110.769 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 87.29 -2.01 86.45 Favored Glycine 0 N--CA 1.448 -0.502 0 CA-C-N 115.821 -0.627 . . . . 10.0 113.744 179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 14' ' ' VAL . . . . . 0.412 ' CG2' ' HG3' ' C' ' 16' ' ' LYS . 20.2 m -75.1 -28.97 21.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 117.681 0.741 . . . . 10.0 112.216 -179.795 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 15' ' ' GLY . . . . . 0.669 ' HA2' ' C8 ' ' C' ' 201' ' ' GSP . . . 117.93 14.72 6.53 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.549 -0.834 . . . . 10.0 113.714 178.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 16' ' ' LYS . . . . . 0.412 ' HG3' ' CG2' ' C' ' 14' ' ' VAL . 47.2 mtpt -53.81 -58.9 5.55 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.157 0.428 . . . . 10.0 112.157 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 17' ' ' SER . . . . . 0.502 ' HB2' ' O1A' ' C' ' 201' ' ' GSP . 16.4 m -66.39 -33.21 75.2 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.776 0.658 . . . . 10.0 112.776 -178.788 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.33 -40.04 85.07 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.644 -0.502 . . . . 10.0 109.644 179.141 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 19' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' C' ' 15' ' ' GLY . 90.5 mt -68.78 -40.06 79.85 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 115.698 -0.683 . . . . 10.0 110.681 179.605 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.0 -43.69 86.98 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.449 -0.341 . . . . 10.0 110.597 179.739 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 86.0 mt -64.68 -38.67 83.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.401 -0.363 . . . . 10.0 111.314 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 22' ' ' GLN . . . . . 0.494 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 3.8 mm-40 -66.76 -25.84 66.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.183 0.516 . . . . 10.0 110.895 179.32 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 16.2 tp -87.49 -43.68 11.87 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.004 -0.544 . . . . 10.0 111.185 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 44.4 mm -80.19 -68.11 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 112.483 0.549 . . . . 10.0 112.483 -178.614 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -78.87 -24.95 43.93 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.115 0.413 . . . . 10.0 112.115 -178.383 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 26' ' ' ASN . . . . . 0.494 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 66.8 t30 72.96 51.36 0.14 Allowed 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 113.053 0.761 . . . . 10.0 113.053 178.418 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 9.6 p80 -157.36 164.71 37.28 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.01 178.454 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 28' ' ' PHE . . . . . 0.545 ' HZ ' ' C2 ' ' C' ' 201' ' ' GSP . 26.5 t80 -101.56 141.97 33.63 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 120.941 0.401 . . . . 10.0 111.089 -179.242 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 3.7 m -108.25 131.73 57.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.46 179.707 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -98.24 -8.31 27.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.684 0.754 . . . . 10.0 109.873 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -95.69 143.31 27.07 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.391 -0.822 . . . . 10.0 110.775 -179.493 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 32' ' ' TYR . . . . . 0.902 ' HA ' " H3'" ' C' ' 201' ' ' GSP . 90.0 t80 -78.57 122.37 25.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.334 -0.394 . . . . 10.0 110.477 179.331 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -111.87 103.86 55.56 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 120.739 0.304 . . . . 10.0 111.586 -179.588 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -80.43 67.55 8.59 Favored 'Trans proline' 0 CA--C 1.532 0.379 0 C-N-CA 123.176 2.584 . . . . 10.0 111.769 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.2 130.3 41.1 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.196 -0.456 . . . . 10.0 111.282 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 36' ' ' ILE . . . . . 0.9 ' HA ' ' HB2' ' C' ' 59' ' ' ALA . 48.1 mm -87.02 -40.02 13.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 109.372 -0.603 . . . . 10.0 109.372 179.313 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 37' ' ' GLU . . . . . 0.46 ' HG2' HD11 ' C' ' 56' ' ' LEU . 4.3 tt0 -172.45 104.76 0.16 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.387 -0.824 . . . . 10.0 109.826 179.686 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -130.23 136.8 49.6 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.899 -0.408 . . . . 10.0 109.899 179.321 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 39' ' ' SER . . . . . 0.438 ' HB2' ' NH1' ' C' ' 41' ' ' ARG . 2.9 p -114.58 134.74 54.81 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 112.136 0.421 . . . . 10.0 112.136 -178.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -125.52 143.63 50.92 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.681 -0.69 . . . . 10.0 110.122 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 41' ' ' ARG . . . . . 0.438 ' NH1' ' HB2' ' C' ' 39' ' ' SER . 0.8 OUTLIER -127.54 134.87 49.74 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.356 -0.384 . . . . 10.0 110.469 179.852 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 54.9 tttt -149.04 140.16 23.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.425 179.206 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -93.81 120.53 34.2 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.548 -0.538 . . . . 10.0 109.548 179.121 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 18.6 m -130.9 162.39 39.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.283 0.563 . . . . 10.0 111.389 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 21.1 t -105.81 108.66 25.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.738 -0.664 . . . . 10.0 109.412 179.389 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 63.6 mt -114.63 116.93 54.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.163 -0.471 . . . . 10.0 110.746 -179.192 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 47' ' ' ASP . . . . . 0.664 ' HA ' ' HB2' ' B' ' 128' ' ' LYS . 33.8 m-20 71.57 -11.08 0.76 Allowed 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 115.647 -0.706 . . . . 10.0 112.011 179.451 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 129.38 -16.43 5.69 Favored Glycine 0 N--CA 1.449 -0.445 0 N-CA-C 111.348 -0.701 . . . . 10.0 111.348 -179.26 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 49' ' ' GLU . . . . . 0.495 ' HB3' ' NH2' ' C' ' 164' ' ' ARG . 16.7 tt0 -94.55 122.63 37.33 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-O 120.747 0.308 . . . . 10.0 110.466 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -73.04 117.51 14.85 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.094 -0.706 . . . . 10.0 109.094 179.079 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 51' ' ' CYS . . . . . 0.544 ' HB3' ' HE2' ' C' ' 4' ' ' TYR . 0.1 OUTLIER -129.35 153.8 47.52 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 112.623 0.601 . . . . 10.0 112.623 -178.171 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 60.3 tp -101.82 124.08 46.85 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.095 -0.957 . . . . 10.0 108.908 178.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 53' ' ' LEU . . . . . 0.422 ' O ' ' HA ' ' C' ' 41' ' ' ARG . 37.1 mt -96.89 122.22 39.63 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 112.51 0.559 . . . . 10.0 112.51 -179.219 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 54' ' ' ASP . . . . . 0.513 ' HB3' ' HA ' ' C' ' 5' ' ' LYS . 22.0 t70 -103.09 93.01 4.78 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.613 -1.254 . . . . 10.0 107.613 177.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 1.1 mp -100.18 131.57 47.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.506 -0.316 . . . . 10.0 111.834 -178.233 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 56' ' ' LEU . . . . . 0.46 HD11 ' HG2' ' C' ' 37' ' ' GLU . 32.0 tp -118.54 121.24 39.77 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.124 -0.489 . . . . 10.0 111.179 179.539 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -97.32 104.81 16.87 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.037 -0.727 . . . . 10.0 109.037 178.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 28.6 p -95.75 156.6 16.26 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.619 -0.264 . . . . 10.0 110.612 -179.178 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 59' ' ' ALA . . . . . 0.9 ' HB2' ' HA ' ' C' ' 36' ' ' ILE . . . -64.48 138.13 58.25 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.089 0.471 . . . . 10.0 110.954 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -98.79 23.8 34.85 Favored Glycine 0 N--CA 1.448 -0.535 0 N-CA-C 111.272 -0.731 . . . . 10.0 111.272 179.149 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -83.62 -1.55 54.16 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 111.588 0.218 . . . . 10.0 111.588 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 62' ' ' GLU . . . . . 0.412 ' HB3' ' H ' ' C' ' 63' ' ' GLU . 32.5 mm-40 58.32 -160.7 0.26 Allowed 'General case' 0 C--O 1.233 0.226 0 N-CA-C 112.275 0.472 . . . . 10.0 112.275 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 63' ' ' GLU . . . . . 0.412 ' H ' ' HB3' ' C' ' 62' ' ' GLU . 24.6 tt0 77.58 -16.71 0.63 Allowed 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.365 0.666 . . . . 10.0 111.476 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 64' ' ' TYR . . . . . 0.705 ' HB3' ' HB3' ' C' ' 67' ' ' MET . 28.6 m-85 -77.64 73.26 4.21 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.035 -0.53 . . . . 10.0 111.207 -179.456 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 1.8 p -76.4 -16.49 59.7 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.056 -0.52 . . . . 10.0 111.843 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -116.35 -36.97 3.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.488 -0.324 . . . . 10.0 111.504 -179.575 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 67' ' ' MET . . . . . 0.705 ' HB3' ' HB3' ' C' ' 64' ' ' TYR . 20.6 ttt -64.5 -28.83 69.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.045 0.45 . . . . 10.0 110.601 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 68' ' ' ARG . . . . . 0.606 ' HA ' ' CZ ' ' C' ' 71' ' ' TYR . 1.3 tpp180 -62.11 -43.33 99.07 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.894 -0.594 . . . . 10.0 111.907 -179.014 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -57.49 -36.23 71.24 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.3 -0.409 . . . . 10.0 110.999 -179.133 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -55.54 -56.31 21.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.842 -0.617 . . . . 10.0 112.366 -179.519 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 71' ' ' TYR . . . . . 0.606 ' CZ ' ' HA ' ' C' ' 68' ' ' ARG . 19.4 p90 -79.51 -24.33 42.32 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 113.697 0.999 . . . . 10.0 113.697 -178.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 72' ' ' MET . . . . . 0.482 ' SD ' ' HG2' ' C' ' 99' ' ' GLN . 27.3 mtt -69.13 -36.15 77.16 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.113 0.482 . . . . 10.0 110.423 179.226 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 29.5 ttm105 -73.2 -35.0 66.27 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.352 0.596 . . . . 10.0 110.411 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 6.3 m -76.27 -48.04 21.63 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.305 -0.862 . . . . 10.0 112.874 -178.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.74 148.87 51.48 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 121.376 -0.44 . . . . 10.0 113.856 -178.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -102.01 -41.17 6.54 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.227 0.537 . . . . 10.0 109.605 179.423 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -116.89 145.62 18.72 Favored Glycine 0 N--CA 1.447 -0.587 0 N-CA-C 110.712 -0.955 . . . . 10.0 110.712 178.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 78' ' ' PHE . . . . . 0.463 ' HB2' ' HG2' ' C' ' 111' ' ' MET . 88.8 m-85 -121.14 126.34 49.49 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 117.194 0.497 . . . . 10.0 112.158 -179.015 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 79' ' ' LEU . . . . . 0.489 HD23 HG13 ' C' ' 8' ' ' VAL . 13.6 tp -93.06 99.53 12.12 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.293 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 36.7 m -87.63 101.06 13.28 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.122 0.487 . . . . 10.0 110.551 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 40.4 t -109.99 136.32 46.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.855 -0.612 . . . . 10.0 110.036 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 35.8 p90 -132.06 149.97 52.27 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.929 0.395 . . . . 10.0 110.67 179.515 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -81.38 128.42 33.83 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.957 -0.565 . . . . 10.0 109.622 179.425 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 84' ' ' ILE . . . . . . . . . . . . . 1.5 pp -73.0 -10.79 14.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.954 0.407 . . . . 10.0 111.36 -179.475 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 21.0 p-10 -100.16 -1.6 36.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.295 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -133.68 112.59 11.54 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.203 0.525 . . . . 10.0 111.524 -179.269 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.6 -28.98 68.93 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.674 -0.694 . . . . 10.0 112.302 -179.311 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 26.0 tptp -57.81 -43.59 85.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.408 -0.36 . . . . 10.0 110.67 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -32.64 73.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.246 -0.434 . . . . 10.0 111.526 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -71.16 -33.29 69.89 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.843 0.354 . . . . 10.0 110.755 -179.615 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -79.24 -26.54 42.44 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.068 0.461 . . . . 10.0 110.515 179.355 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -67.27 -21.4 65.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.979 -0.555 . . . . 10.0 111.267 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 46.9 mm -57.75 -41.73 80.22 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-N 116.342 -0.39 . . . . 10.0 110.258 179.472 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -66.09 -44.01 85.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.224 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 55.1 m-70 -59.89 -42.04 92.92 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.101 0.477 . . . . 10.0 110.075 179.279 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -65.57 -49.74 67.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.677 -0.692 . . . . 10.0 110.344 179.06 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 18.6 ttt180 -54.24 -47.06 72.65 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.415 -0.812 . . . . 10.0 111.854 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -62.4 -35.29 78.75 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 116.305 -0.407 . . . . 10.0 111.899 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 99' ' ' GLN . . . . . 0.482 ' HG2' ' SD ' ' C' ' 72' ' ' MET . 54.3 tt0 -75.82 -38.72 57.83 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.82 -0.352 . . . . 10.0 110.333 179.204 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 52.3 mt -56.52 -46.17 82.32 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 CA-C-N 116.01 -0.541 . . . . 10.0 109.943 179.223 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 101' ' ' LYS . . . . . 0.442 ' HB2' ' HE3' ' C' ' 101' ' ' LYS . 27.5 mtmt -72.47 -25.19 61.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.722 -0.672 . . . . 10.0 111.198 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -75.17 -49.51 19.24 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.295 -179.452 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 103' ' ' VAL . . . . . 0.426 HG23 ' O ' ' C' ' 99' ' ' GLN . 42.2 t -66.1 -39.61 84.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.21 -0.45 . . . . 10.0 111.837 -179.203 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 5.8 tttp -87.08 -16.48 35.42 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.268 0.47 . . . . 10.0 112.268 -179.135 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 28.8 t70 60.56 56.67 3.0 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.442 0.639 . . . . 10.0 111.358 -179.284 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 1.9 t -166.93 143.93 4.68 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.763 -0.653 . . . . 10.0 110.222 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 -83.8 -37.19 22.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.94 0.4 . . . . 10.0 110.634 -179.585 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -86.75 105.84 17.25 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.972 -0.558 . . . . 10.0 111.355 -179.071 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 45.1 t -135.29 135.89 23.43 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.538 -0.756 . . . . 10.0 109.131 179.695 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_exo -64.38 106.74 0.74 Allowed 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.849 2.366 . . . . 10.0 111.427 179.219 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 111' ' ' MET . . . . . 0.463 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 57.4 mtm -142.02 144.86 33.84 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.635 -179.439 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 60.9 t -134.23 128.4 52.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 109.146 -0.687 . . . . 10.0 109.146 179.384 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 24.5 tp -82.74 121.6 27.1 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.152 -0.684 . . . . 10.0 109.152 179.413 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 21.7 t -115.9 129.91 71.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.003 0.43 . . . . 10.0 111.826 -178.483 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -109.91 123.8 6.9 Favored Glycine 0 N--CA 1.446 -0.66 0 N-CA-C 109.799 -1.32 . . . . 10.0 109.799 178.45 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -112.86 157.91 20.81 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.983 0.391 . . . . 10.0 111.311 -179.096 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt 71.86 29.59 2.43 Favored 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 123.295 0.638 . . . . 10.0 112.64 179.601 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 118' ' ' CYS . . . . . . . . . . . . . 68.2 m -72.73 -3.41 25.03 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.889 0.376 . . . . 10.0 111.762 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -85.87 -19.07 31.13 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.321 179.374 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 83.7 mt -85.35 143.5 39.18 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.653 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -78.02 172.66 15.18 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.748 2.299 . . . . 10.0 111.346 179.306 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 16.0 m 64.6 61.71 0.82 Allowed 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.2 0.524 . . . . 10.0 111.844 179.637 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -83.76 154.6 23.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.835 179.038 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 1.4 m -99.79 -48.39 4.72 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.145 -0.48 . . . . 10.0 111.787 -179.197 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 77.7 t -91.59 127.24 44.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.938 0.399 . . . . 10.0 110.713 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 126' ' ' ASP . . . . . 0.47 ' HB3' ' HG2' ' C' ' 129' ' ' GLN . 9.2 t70 -70.75 142.19 51.44 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.361 -0.607 . . . . 10.0 109.361 179.435 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 7.5 m -56.78 -33.38 66.58 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.794 0.33 . . . . 10.0 110.575 179.622 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 128' ' ' LYS . . . . . 0.62 ' HB3' ' HA ' ' B' ' 47' ' ' ASP . 30.8 mttp -63.35 -55.78 21.74 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 115.959 -0.564 . . . . 10.0 111.153 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 129' ' ' GLN . . . . . 0.47 ' HG2' ' HB3' ' C' ' 126' ' ' ASP . 3.0 pt20 -62.88 -31.99 73.15 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.81 0.338 . . . . 10.0 111.583 -179.607 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.03 -47.16 72.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.078 179.234 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 131' ' ' GLN . . . . . 0.726 ' HG3' ' HD2' ' C' ' 141' ' ' PHE . 17.4 mt-30 -71.9 -28.74 63.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.384 179.335 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 132' ' ' ASP . . . . . 0.533 ' HA ' ' HD2' ' B' ' 161' ' ' ARG . 5.4 t70 -68.29 -42.03 80.11 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.319 178.731 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 10.3 tp -59.6 -44.53 93.35 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 109.291 -0.633 . . . . 10.0 109.291 179.099 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.84 -37.39 87.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.626 -0.715 . . . . 10.0 110.068 179.178 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 135' ' ' ARG . . . . . 0.676 ' HG3' ' HG2' ' B' ' 161' ' ' ARG . 5.7 tmm_? -60.91 -39.68 90.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.662 -0.699 . . . . 10.0 110.316 179.197 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 17.1 m -69.84 -26.24 64.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.701 -0.681 . . . . 10.0 111.39 -179.511 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 137' ' ' TYR . . . . . 0.603 ' HB2' HG12 ' C' ' 139' ' ' ILE . 23.4 m-30 -90.8 -14.38 32.03 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.971 0.415 . . . . 10.0 110.692 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 76.41 31.05 55.74 Favored Glycine 0 N--CA 1.451 -0.35 0 N-CA-C 110.736 -0.946 . . . . 10.0 110.736 -178.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 139' ' ' ILE . . . . . 0.603 HG12 ' HB2' ' C' ' 137' ' ' TYR . 47.4 pt -126.24 162.56 45.41 Favored Pre-proline 0 C--N 1.327 -0.384 0 N-CA-C 109.902 -0.407 . . . . 10.0 109.902 -179.139 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 140' ' ' PRO . . . . . 0.408 ' HD2' ' HB ' ' C' ' 139' ' ' ILE . 94.1 Cg_endo -87.04 155.49 8.43 Favored 'Trans proline' 0 CA--C 1.533 0.453 0 C-N-CA 122.456 2.104 . . . . 10.0 112.801 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 141' ' ' PHE . . . . . 0.726 ' HD2' ' HG3' ' C' ' 131' ' ' GLN . 63.3 t80 -136.42 122.34 20.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.9 -0.591 . . . . 10.0 109.556 178.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 3.6 mp -124.98 130.0 73.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 120.885 0.374 . . . . 10.0 111.346 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -80.83 131.73 35.42 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 108.91 -0.774 . . . . 10.0 108.91 178.434 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 77.3 p -134.86 176.41 8.68 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.274 0.559 . . . . 10.0 112.055 -177.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 12.7 t -151.89 117.24 5.3 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.29 -0.868 . . . . 10.0 108.865 178.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 146' ' ' ALA . . . . . 0.41 ' HB2' HD23 ' C' ' 19' ' ' LEU . . . -72.61 -24.69 61.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.099 0.475 . . . . 10.0 110.433 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -65.82 -48.68 70.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.621 -0.718 . . . . 10.0 110.573 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 26.8 p -90.21 -15.84 30.63 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.922 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 23.1 ttt-85 62.71 44.48 6.54 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 115.364 -0.835 . . . . 10.0 111.023 -179.279 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -112.71 113.75 26.01 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.002 -0.545 . . . . 10.0 110.522 -179.689 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 94.14 -18.98 55.72 Favored Glycine 0 CA--C 1.518 0.226 0 C-N-CA 121.058 -0.591 . . . . 10.0 112.855 179.152 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 13.3 t -60.39 -40.22 83.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.72 0.295 . . . . 10.0 111.417 -179.099 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.12 -52.32 63.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.25 0.548 . . . . 10.0 110.699 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 154' ' ' ASP . . . . . 0.46 ' HA ' ' CD2' ' C' ' 157' ' ' TYR . 16.8 t70 -66.01 -30.01 70.47 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.622 -0.717 . . . . 10.0 112.07 -178.845 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -57.13 -42.05 80.19 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.988 0.423 . . . . 10.0 110.494 179.499 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -68.76 -39.82 80.05 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.818 -0.628 . . . . 10.0 109.917 179.19 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 157' ' ' TYR . . . . . 0.46 ' CD2' ' HA ' ' C' ' 154' ' ' ASP . 8.6 m-30 -64.71 -36.81 85.49 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.866 -0.606 . . . . 10.0 110.636 179.639 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 31.9 m -60.16 -42.56 95.17 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 116.187 -0.46 . . . . 10.0 111.074 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 159' ' ' LEU . . . . . 0.41 ' O ' HG13 ' C' ' 163' ' ' ILE . 17.6 tp -61.14 -39.91 91.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.175 0.512 . . . . 10.0 109.746 179.189 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 79.7 t -66.72 -40.0 85.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.643 -0.708 . . . . 10.0 109.541 178.606 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.01 -38.85 87.53 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.592 -0.731 . . . . 10.0 109.783 179.021 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -67.51 -39.92 85.14 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.732 -0.667 . . . . 10.0 110.685 179.079 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 163' ' ' ILE . . . . . 0.41 HG13 ' O ' ' C' ' 159' ' ' LEU . 97.9 mt -62.27 -43.6 98.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 N-CA-C 109.058 -0.719 . . . . 10.0 109.058 178.528 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 164' ' ' ARG . . . . . 0.495 ' NH2' ' HB3' ' C' ' 49' ' ' GLU . 97.6 mtt180 -62.66 -44.5 96.11 Favored 'General case' 0 C--O 1.232 0.175 0 N-CA-C 109.056 -0.72 . . . . 10.0 109.056 178.564 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 165' ' ' LYS . . . . . 0.488 ' HE3' ' HG2' ' B' ' 135' ' ' ARG . 29.2 ttmt -58.92 -49.53 77.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.116 -0.947 . . . . 10.0 110.502 179.321 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -57.63 -51.54 69.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.789 -0.642 . . . . 10.0 111.382 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -63.78 -39.76 95.04 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.583 0.586 . . . . 10.0 112.583 -179.373 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -66.58 -47.34 73.07 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.942 0.401 . . . . 10.0 110.62 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 49.0 mtpt -68.42 -32.8 73.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.09 -0.505 . . . . 10.0 110.715 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 23.6 ttm -66.2 -26.25 67.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.976 -0.556 . . . . 10.0 110.756 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 26.0 m -71.86 -11.64 60.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.005 -0.543 . . . . 10.0 111.344 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 61.0 mtpt -101.04 -13.07 18.37 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.735 -0.468 . . . . 10.0 109.735 179.062 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 173' ' ' ASP . . . . . . . . . . . . . 14.8 t70 71.37 -61.93 0.47 Allowed 'General case' 0 C--O 1.237 0.404 0 CA-C-N 115.569 -0.741 . . . . 10.0 112.908 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . 129.73 -35.1 2.62 Favored Glycine 0 N--CA 1.451 -0.339 0 N-CA-C 111.741 -0.544 . . . . 10.0 111.741 -179.572 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 175' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -115.32 -32.11 5.74 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.102 0.477 . . . . 10.0 110.542 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 176' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -68.83 -25.85 64.87 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.726 -0.67 . . . . 10.0 112.418 -179.441 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 177' ' ' LYS . . . . . . . . . . . . . 41.2 tptt -96.12 -77.85 0.47 Allowed 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.277 -0.569 . . . . 10.0 112.319 -179.499 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 178' ' ' LYS . . . . . 0.505 ' HE2' ' H1 ' ' C' ' 215' ' ' 17F . 28.0 mtpp 62.41 71.66 0.52 Allowed 'General case' 0 N--CA 1.466 0.325 0 O-C-N 123.329 0.393 . . . . 10.0 111.431 -179.495 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 179' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -91.79 98.67 11.76 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.908 0.385 . . . . 10.0 110.84 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 180' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -160.67 109.14 1.62 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.794 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 2.5 p -168.41 -179.43 3.94 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.526 -0.761 . . . . 10.0 109.035 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 182' ' ' LYS . . . . . 0.496 ' HA ' ' HE3' ' C' ' 182' ' ' LYS . 0.0 OUTLIER -103.1 -64.9 1.04 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.621 0.248 . . . . 10.0 110.622 179.6 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.49 -64.0 1.11 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.415 -0.357 . . . . 10.0 110.734 179.353 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 184' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt . . . . . 0 C--O 1.236 0.394 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.645 -179.984 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 401' ' ' PCW . . . . . 1.08 H252 H281 ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 402' ' ' PCW . . . . . 1.1 ' H82' ' H32' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 403' ' ' PCW . . . . . 1.079 H171 H122 ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 404' ' ' PCW . . . . . 1.145 H351 ' O31' ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 405' ' ' PCW . . . . . 0.96 H162 ' HZ ' ' A' ' 214' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 406' ' ' PCW . . . . . 1.12 H351 ' H8A' ' B' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 407' ' ' PCW . . . . . 1.117 H212 ' C17' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 408' ' ' PCW . . . . . 1.04 H152 H232 ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 409' ' ' PCW . . . . . 1.238 ' C19' H142 ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 410' ' ' PCW . . . . . 1.055 H371 ' C6 ' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 411' ' ' PCW . . . . . 1.04 H232 H152 ' A' ' 408' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 412' ' ' PCW . . . . . 1.034 H451 H182 ' C' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 413' ' ' PCW . . . . . 1.064 H422 H462 ' C' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 414' ' ' PCW . . . . . 1.064 ' C34' ' H57' ' A' ' 415' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 415' ' ' 17F . . . . . 1.064 ' H57' ' C34' ' A' ' 414' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 416' ' ' 17F . . . . . 1.033 ' H65' H262 ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 417' ' ' PCW . . . . . 0.992 ' H19' H431 ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 418' ' ' PCW . . . . . 0.943 H332 H132 ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 419' ' ' PCW . . . . . 0.94 ' H63' ' C31' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 420' ' ' PCW . . . . . 1.055 ' C37' H431 ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 421' ' ' PCW . . . . . 1.003 H122 ' H9 ' ' D' ' 630' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 422' ' ' 17F . . . . . 1.034 ' H66' H422 ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 601' ' ' PCW . . . . . 1.009 H421 H461 ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 602' ' ' PCW . . . . . 1.056 H221 H172 ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 603' ' ' PCW . . . . . 1.071 ' H2 ' ' C4 ' ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 604' ' ' PCW . . . . . 0.963 H482 H282 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 605' ' ' PCW . . . . . 1.044 ' O1P' ' H52' ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 606' ' ' PCW . . . . . 1.102 H212 ' C17' ' D' ' 606' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 607' ' ' PCW . . . . . 1.051 ' H12' H351 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 608' ' ' PCW . . . . . 1.075 ' C19' ' H46' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 609' ' ' PCW . . . . . 1.079 H452 ' H20' ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 610' ' ' PCW . . . . . 0.806 ' C20' H241 ' D' ' 610' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 611' ' ' PCW . . . . . 1.008 H351 H222 ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 612' ' ' PCW . . . . . 1.016 H251 H472 ' A' ' 401' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 613' ' ' PCW . . . . . 1.015 H212 H172 ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 614' ' ' PCW . . . . . 1.044 ' H52' ' O1P' ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 615' ' ' PCW . . . . . 1.08 H281 H252 ' A' ' 401' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 616' ' ' PCW . . . . . 1.046 ' H61' ' H2 ' ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 617' ' ' PCW . . . . . 1.066 ' H39' ' C14' ' D' ' 619' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 618' ' ' PCW . . . . . 1.055 H431 ' C37' ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 619' ' ' PCW . . . . . 1.066 ' C14' ' H39' ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 620' ' ' PCW . . . . . 1.025 H471 H482 ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 621' ' ' PCW . . . . . 1.112 H372 H412 ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 622' ' ' PCW . . . . . 1.05 ' H19' ' H5 ' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 623' ' ' PCW . . . . . 1.065 H322 ' C36' ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 624' ' ' PCW . . . . . 0.976 ' H20' ' C24' ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 625' ' ' PCW . . . . . 1.051 ' H12' ' H32' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 626' ' ' PCW . . . . . 1.302 H251 ' C20' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 627' ' ' PCW . . . . . 1.024 ' H20' ' C35' ' C' ' 217' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 628' ' ' 17F . . . . . 1.052 ' H34' H431 ' D' ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 629' ' ' 17F . . . . . 1.075 ' H46' ' C19' ' D' ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 630' ' ' 17F . . . . . 1.003 ' H9 ' H122 ' A' ' 421' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 631' ' ' 17F . . . . . 1.05 ' H5 ' ' H19' ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 632' ' ' 17F . . . . . 0.941 ' C3 ' ' H51' ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 201' ' ' GSP . . . . . 0.812 H5'1 ' HA2' ' B' ' 13' ' ' GLY . . . . . . . . 0 O4'--C1' 1.438 1.98 2 O4'-C1'-N19 113.287 5.087 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 202' ' ' ' MG' . . . . . 0.621 'MG ' ' O3G' ' B' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 203' ' ' PCW . . . . . 0.931 ' H42' H331 ' C' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 204' ' ' PCW . . . . . 1.058 H211 ' C17' ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 205' ' ' PCW . . . . . 1.087 H231 H241 ' C' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 206' ' ' PCW . . . . . 1.045 ' H31' ' C4 ' ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 207' ' ' PCW . . . . . 1.092 ' C19' ' H19' ' B' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 208' ' ' PCW . . . . . 1.079 H321 ' H63' ' C' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 209' ' ' 17F . . . . . 1.005 H12A H471 ' A' ' 414' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 210' ' ' 17F . . . . . 1.092 ' H19' ' C19' ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 211' ' ' 17F . . . . . 1.12 ' H8A' H351 ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 201' ' ' GSP . . . . . 0.902 " H3'" ' HA ' ' C' ' 32' ' ' TYR . . . . . . . . 0 O4'--C1' 1.44 2.14 2 O4'-C1'-N19 113.134 4.934 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 202' ' ' ' MG' . . . . . 0.628 'MG ' ' O3G' ' C' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 203' ' ' PCW . . . . . 1.004 H132 H171 ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 204' ' ' PCW . . . . . 1.099 H242 ' H20' ' C' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 205' ' ' PCW . . . . . 0.876 ' H19' ' C23' ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 206' ' ' PCW . . . . . 1.096 H151 H151 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 207' ' ' PCW . . . . . 1.144 ' O1P' ' H31' ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 208' ' ' PCW . . . . . 1.096 H151 H151 ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 209' ' ' PCW . . . . . 1.032 H262 H222 ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 210' ' ' PCW . . . . . 1.099 ' H20' H242 ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 211' ' ' PCW . . . . . 1.112 ' H51' ' H12' ' C' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 212' ' ' PCW . . . . . 1.076 H241 ' H20' ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 213' ' ' 17F . . . . . 0.997 ' C21' H141 ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 214' ' ' 17F . . . . . 0.666 ' C3 ' ' H ' ' B' ' 184' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 215' ' ' 17F . . . . . 0.993 ' H62' H161 ' C' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 216' ' ' PCW . . . . . 0.947 ' C46' ' H76' ' C' ' 218' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 217' ' ' PCW . . . . . 1.048 H141 ' H33' ' C' ' 219' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 218' ' ' 17F . . . . . 1.169 H18A ' O7 ' ' C' ' 218' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 219' ' ' 17F . . . . . 1.135 ' H39' ' H47' ' C' ' 218' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 201' ' ' LEU . . . . . 0.599 ' HA ' HD12 ' A' ' 204' ' ' LEU . 77.0 mt . . . . . 0 C--O 1.234 0.277 0 CA-C-O 121.019 0.438 . . . . 10.0 110.655 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 6.1 tmtm? -70.6 -43.53 69.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.58 -0.737 . . . . 10.0 110.991 -179.507 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 203' ' ' LEU . . . . . 0.407 ' O ' ' HB2' ' A' ' 207' ' ' TRP . 74.2 mt -63.93 -33.85 76.64 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.315 -0.402 . . . . 10.0 110.427 179.359 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 204' ' ' LEU . . . . . 0.599 HD12 ' HA ' ' A' ' 201' ' ' LEU . 1.7 mt -67.9 -46.7 70.87 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.508 -0.769 . . . . 10.0 111.112 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -66.67 -45.35 79.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.992 0.425 . . . . 10.0 111.288 -179.309 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 206' ' ' ASN . . . . . 0.515 ' O ' HG23 ' A' ' 210' ' ' VAL . 2.3 m120 -66.35 -28.61 68.8 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.118 -0.492 . . . . 10.0 111.31 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 207' ' ' TRP . . . . . 0.407 ' HB2' ' O ' ' A' ' 203' ' ' LEU . 15.1 t90 -63.4 -34.66 78.22 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.06 0.457 . . . . 10.0 109.902 179.499 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -67.86 -38.91 83.72 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.287 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 2.0 m -64.6 -32.64 74.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.292 0.568 . . . . 10.0 110.136 179.191 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 210' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 206' ' ' ASN . 48.1 t -75.98 -45.35 37.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.892 -0.594 . . . . 10.0 110.013 179.241 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 9.9 m -60.63 -43.8 97.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.569 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 3.4 p -62.31 -37.99 87.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.955 0.407 . . . . 10.0 110.205 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 84.8 m -66.56 -40.8 89.17 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.908 -0.587 . . . . 10.0 109.522 178.526 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 214' ' ' PHE . . . . . 0.444 ' CE1' H162 ' A' ' 405' ' ' PCW . 3.2 m-85 -61.71 -41.83 98.12 Favored 'General case' 0 C--O 1.224 -0.25 0 N-CA-C 109.648 -0.501 . . . . 10.0 109.648 178.553 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 24.3 m -62.32 -45.99 90.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.991 -0.55 . . . . 10.0 109.799 178.642 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -61.29 -40.21 93.29 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.302 -0.408 . . . . 10.0 109.983 178.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 217' ' ' LEU . . . . . 0.484 ' O ' ' HG ' ' A' ' 221' ' ' LEU . 80.7 mt -65.34 -42.09 93.25 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-N 115.72 -0.673 . . . . 10.0 110.028 179.256 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 218' ' ' ARG . . . . . 0.492 ' HA ' HD12 ' A' ' 221' ' ' LEU . 88.1 mtt180 -65.74 -35.44 80.75 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.321 -0.4 . . . . 10.0 110.948 179.691 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -67.24 -36.3 81.35 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.642 -0.503 . . . . 10.0 109.642 178.488 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -76.74 -31.92 57.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.824 -0.626 . . . . 10.0 110.171 179.217 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 221' ' ' LEU . . . . . 0.492 HD12 ' HA ' ' A' ' 218' ' ' ARG . 33.2 mt -53.84 -36.94 63.1 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.123 179.417 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -55.12 -70.39 0.98 Allowed Glycine 0 C--N 1.33 0.241 0 N-CA-C 111.121 -0.792 . . . . 10.0 111.121 178.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -51.3 -41.71 57.62 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.629 2.219 . . . . 10.0 111.778 178.42 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 224' ' ' VAL . . . . . 0.56 HG22 ' HD3' ' D' ' 550' ' ' LYS . 54.3 t -57.16 -53.32 44.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-N 116.523 -0.308 . . . . 10.0 111.123 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 11.0 p -65.14 -36.82 85.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.884 0.374 . . . . 10.0 110.996 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -62.41 -49.55 75.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 10.0 110.492 179.151 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -66.99 -47.49 71.36 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.331 179.404 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -57.24 -50.95 71.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 10.0 111.585 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -66.16 -34.83 78.93 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.952 0.158 . . . . 10.0 111.358 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -63.14 -46.62 86.36 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.52 -0.548 . . . . 10.0 109.52 178.613 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 231' ' ' ASN . . . . . 0.551 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 68.9 m-20 -72.6 -34.7 67.57 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.756 -0.656 . . . . 10.0 110.755 178.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 21.0 mt -62.9 -42.2 99.7 Favored 'General case' 0 CA--C 1.52 -0.208 0 N-CA-C 109.773 -0.454 . . . . 10.0 109.773 178.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -64.11 -33.65 76.26 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.307 178.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 234' ' ' LYS . . . . . 0.551 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 80.1 mttt -66.39 -45.52 79.74 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 108.611 -0.885 . . . . 10.0 108.611 177.7 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.41 -46.05 91.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.319 -0.855 . . . . 10.0 109.389 178.566 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 236' ' ' THR . . . . . 0.492 ' O ' ' HG3' ' A' ' 240' ' ' ARG . 2.9 m -67.49 -37.11 82.35 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.831 -0.622 . . . . 10.0 110.735 179.613 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -62.41 -44.33 96.68 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 108.766 -0.828 . . . . 10.0 108.766 178.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -61.58 -41.48 99.58 Favored Glycine 0 N--CA 1.445 -0.702 0 N-CA-C 110.233 -1.147 . . . . 10.0 110.233 178.117 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 84.1 mt -65.68 -32.18 73.6 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.757 0.313 . . . . 10.0 110.573 179.032 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 240' ' ' ARG . . . . . 0.492 ' HG3' ' O ' ' A' ' 236' ' ' THR . 56.5 mtt180 -70.24 -41.73 73.15 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.896 -0.779 . . . . 10.0 108.896 178.441 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -66.81 -41.95 86.69 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.652 -0.87 . . . . 10.0 108.652 178.273 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -64.31 -32.64 74.32 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 115.468 -0.787 . . . . 10.0 110.265 178.493 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 243' ' ' MET . . . . . 0.747 ' HG3' HD12 ' A' ' 247' ' ' LEU . 54.2 ttm -54.26 -31.43 53.59 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 122.925 0.49 . . . . 10.0 111.36 -179.766 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 244' ' ' SER . . . . . 0.498 ' HA ' ' HG3' ' A' ' 248' ' ' GLU . 0.8 OUTLIER -65.14 -7.1 10.96 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.19 0.519 . . . . 10.0 110.637 179.512 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 245' ' ' LYS . . . . . 0.735 ' HA ' ' HG3' ' A' ' 249' ' ' GLU . 66.6 mttm -130.95 -52.32 1.05 Allowed 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.914 -0.584 . . . . 10.0 110.01 179.557 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 246' ' ' ASP . . . . . 0.748 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 4.3 t0 -60.86 -13.43 15.54 Favored 'General case' 0 C--O 1.225 -0.21 0 N-CA-C 113.002 0.741 . . . . 10.0 113.002 -179.226 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 247' ' ' LEU . . . . . 0.747 HD12 ' HG3' ' A' ' 243' ' ' MET . 18.8 mt -132.06 -46.88 0.93 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.771 0.32 . . . . 10.0 110.707 178.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 248' ' ' GLU . . . . . 0.498 ' HG3' ' HA ' ' A' ' 244' ' ' SER . 16.0 mt-10 -63.99 -39.97 95.32 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.244 0.461 . . . . 10.0 112.244 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 249' ' ' GLU . . . . . 0.735 ' HG3' ' HA ' ' A' ' 245' ' ' LYS . 52.3 mt-10 -72.39 -29.05 63.4 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.472 -0.566 . . . . 10.0 109.472 179.021 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 250' ' ' VAL . . . . . 0.621 HG11 H252 ' A' ' 412' ' ' PCW . 71.9 t -64.17 -44.22 97.5 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.308 0 N-CA-C 108.775 -0.824 . . . . 10.0 108.775 178.1 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -69.98 -37.19 75.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.306 178.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -64.34 -49.39 71.89 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.196 -0.457 . . . . 10.0 110.707 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -81.75 -10.25 59.41 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.194 0.442 . . . . 10.0 112.194 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 254' ' ' VAL . . . . . 0.593 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.3 OUTLIER -63.72 -30.75 50.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 120.609 0.243 . . . . 10.0 110.629 179.711 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 255' ' ' GLN . . . . . 0.477 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 68.9 mt-30 -62.89 -63.35 4.26 Favored Pre-proline 0 N--CA 1.451 -0.397 0 CA-C-N 116.167 -0.47 . . . . 10.0 110.757 179.526 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 256' ' ' PRO . . . . . 0.477 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 19.6 Cg_endo -61.14 -36.24 82.05 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 121.807 1.671 . . . . 10.0 112.247 179.389 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 4.8 m-30 -62.83 -57.96 9.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.351 -0.386 . . . . 10.0 111.216 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 52.9 mt -67.83 -37.28 81.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.15 -0.477 . . . . 10.0 111.471 -179.468 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 259' ' ' ASP . . . . . 0.471 ' O ' ' HB2' ' A' ' 263' ' ' LYS . 34.8 t70 -63.26 -41.31 99.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.543 0.211 . . . . 10.0 110.859 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -69.42 -44.14 71.95 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.992 0.425 . . . . 10.0 110.073 179.282 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 261' ' ' PHE . . . . . 0.485 ' O ' ' HB2' ' A' ' 265' ' ' TRP . 1.5 m-30 -63.82 -43.4 96.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.757 -0.656 . . . . 10.0 110.233 178.82 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 262' ' ' GLN . . . . . 0.528 ' O ' ' HG3' ' A' ' 266' ' ' GLN . 46.2 tt0 -66.96 -39.48 87.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.147 179.464 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 263' ' ' LYS . . . . . 0.497 ' HB2' ' HE3' ' A' ' 263' ' ' LYS . 15.1 ttmt -59.21 -51.25 70.77 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.496 -0.557 . . . . 10.0 109.496 179.097 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 264' ' ' LYS . . . . . 0.4 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 69.0 mttt -66.08 -36.64 83.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.697 -0.683 . . . . 10.0 110.249 179.158 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 265' ' ' TRP . . . . . 0.485 ' HB2' ' O ' ' A' ' 261' ' ' PHE . 0.0 OUTLIER -62.02 -40.25 95.05 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 109.502 -0.555 . . . . 10.0 109.502 178.707 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 266' ' ' GLN . . . . . 0.528 ' HG3' ' O ' ' A' ' 262' ' ' GLN . 74.6 mt-30 -60.99 -47.35 86.85 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 115.734 -0.666 . . . . 10.0 109.216 178.551 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -62.65 -40.36 96.8 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 115.792 -0.64 . . . . 10.0 109.766 178.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 268' ' ' GLU . . . . . 0.525 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 10.9 mt-10 -59.01 -43.92 91.62 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.975 -0.557 . . . . 10.0 109.897 178.504 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 85.7 mmm -68.92 -38.64 79.67 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.503 -0.771 . . . . 10.0 110.318 179.452 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -62.4 -50.66 70.63 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.69 -0.485 . . . . 10.0 109.69 179.06 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 70.0 mt -61.58 -34.78 76.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.218 179.232 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 272' ' ' TYR . . . . . 0.462 ' HD1' ' HA ' ' A' ' 272' ' ' TYR . 0.5 OUTLIER -69.08 -40.02 78.71 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.399 -0.364 . . . . 10.0 110.526 179.087 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 273' ' ' ARG . . . . . 0.618 ' HA ' HG12 ' A' ' 276' ' ' VAL . 84.9 mtt180 -74.96 -42.94 56.65 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.978 -0.556 . . . . 10.0 111.417 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -63.21 -23.75 67.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.959 -0.564 . . . . 10.0 111.159 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 275' ' ' LYS . . . . . 0.675 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 8.3 mptt -98.63 -35.33 10.23 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.027 -0.533 . . . . 10.0 111.347 179.638 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 276' ' ' VAL . . . . . 0.618 HG12 ' HA ' ' A' ' 273' ' ' ARG . 4.3 p -60.31 -33.34 53.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 112.698 0.629 . . . . 10.0 112.698 -179.149 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -62.39 -60.98 8.47 Favored Pre-proline 0 CA--C 1.533 0.302 0 C-N-CA 120.904 -0.318 . . . . 10.0 111.555 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -62.93 -36.96 57.33 Favored 'Trans proline' 0 C--N 1.355 0.878 0 C-N-CA 121.841 1.694 . . . . 10.0 111.614 178.424 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 279' ' ' LEU . . . . . 0.899 HD22 ' HE3' ' D' ' 495' ' ' LYS . 14.4 mt -62.58 -43.98 97.47 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-O 120.755 0.312 . . . . 10.0 110.386 179.164 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -63.46 -30.28 71.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 10.0 109.926 178.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -69.87 -44.89 68.89 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.174 -0.676 . . . . 10.0 109.174 178.584 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -63.21 -40.24 96.9 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 109.224 -0.658 . . . . 10.0 109.224 178.395 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 65.4 mt -64.02 -44.68 91.84 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.746 -0.661 . . . . 10.0 110.326 178.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -63.35 -52.19 62.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.055 -0.521 . . . . 10.0 110.626 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 285' ' ' GLU . . . . . 0.692 ' HA ' ' HD2' ' A' ' 288' ' ' ARG . 62.0 mt-10 -61.69 -40.79 96.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.757 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -63.65 -43.42 97.95 Favored Glycine 0 N--CA 1.446 -0.663 0 N-CA-C 110.141 -1.184 . . . . 10.0 110.141 178.204 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -61.96 -38.49 88.7 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 110.228 -0.286 . . . . 10.0 110.228 178.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 288' ' ' ARG . . . . . 0.692 ' HD2' ' HA ' ' A' ' 285' ' ' GLU . 99.1 mtt180 -53.47 -54.01 43.21 Favored 'General case' 0 CA--C 1.519 -0.215 0 N-CA-C 109.306 -0.628 . . . . 10.0 109.306 179.085 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -65.76 -48.73 70.9 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.925 -1.034 . . . . 10.0 111.246 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 60.5 mttt -59.13 -47.5 85.05 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.404 0.52 . . . . 10.0 112.404 -179.357 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 77.0 mt -68.5 -35.98 78.26 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.753 0.311 . . . . 10.0 110.248 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 292' ' ' HIS . . . . . 0.499 ' HB2' ' O ' ' A' ' 288' ' ' ARG . 2.5 t60 -63.77 -40.02 95.68 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.104 -0.702 . . . . 10.0 109.104 178.807 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.08 -35.35 78.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.729 -0.669 . . . . 10.0 109.754 178.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 84.8 mt -73.93 -40.39 63.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.286 178.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -61.15 -37.58 83.36 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.263 0.554 . . . . 10.0 109.946 179.039 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -72.86 5.42 3.25 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.75 -0.659 . . . . 10.0 111.627 179.596 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 297' ' ' LYS . . . . . 0.489 ' O ' ' HB2' ' A' ' 301' ' ' LEU . 9.1 mmtp -124.4 -39.73 2.3 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.091 -0.504 . . . . 10.0 109.704 178.126 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 298' ' ' LEU . . . . . 0.517 ' O ' ' HA3' ' A' ' 302' ' ' GLY . 61.3 mt -65.78 -23.98 66.83 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.09 -0.505 . . . . 10.0 111.367 179.628 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 299' ' ' SER . . . . . 0.423 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 16.0 m -85.34 -63.45 0.23 Allowed Pre-proline 0 C--N 1.322 -0.6 0 N-CA-C 112.186 0.439 . . . . 10.0 112.186 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 300' ' ' PRO . . . . . 0.423 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 27.5 Cg_endo -63.39 -52.58 1.88 Allowed 'Trans proline' 0 C--N 1.355 0.904 0 C-N-CA 121.733 1.622 . . . . 10.0 111.932 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 301' ' ' LEU . . . . . 0.651 HD13 ' HG2' ' D' ' 473' ' ' LYS . 96.7 mt -71.13 -22.57 62.05 Favored 'General case' 0 C--O 1.224 -0.275 0 N-CA-C 109.93 -0.396 . . . . 10.0 109.93 179.623 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 302' ' ' GLY . . . . . 0.517 ' HA3' ' O ' ' A' ' 298' ' ' LEU . . . -72.92 -49.73 15.97 Favored Glycine 0 N--CA 1.451 -0.311 0 N-CA-C 110.632 -0.987 . . . . 10.0 110.632 178.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -62.49 -41.45 98.82 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.019 -0.734 . . . . 10.0 109.019 178.514 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -64.59 -40.86 96.29 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.449 -0.796 . . . . 10.0 109.508 178.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 14.3 tpt -62.22 -44.24 97.01 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.833 -0.432 . . . . 10.0 109.833 179.189 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 306' ' ' ARG . . . . . 0.462 ' O ' ' HG3' ' A' ' 310' ' ' ARG . 63.1 mtt180 -67.62 -32.01 72.42 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.833 -0.621 . . . . 10.0 110.177 179.488 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 307' ' ' ASP . . . . . 0.704 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 22.7 t70 -73.48 -43.67 59.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 10.0 109.778 179.038 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 308' ' ' ARG . . . . . 0.467 ' HG3' HD11 ' D' ' 469' ' ' LEU . 20.2 mmt180 -64.27 -34.3 77.79 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.932 -0.766 . . . . 10.0 108.932 177.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -64.16 -33.16 75.14 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.009 -0.737 . . . . 10.0 109.009 177.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 310' ' ' ARG . . . . . 0.704 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 87.6 mtt180 -60.83 -50.24 74.23 Favored 'General case' 0 C--O 1.225 -0.193 0 N-CA-C 108.536 -0.912 . . . . 10.0 108.536 178.481 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -64.62 -40.1 94.89 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.465 -0.789 . . . . 10.0 110.073 179.264 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -59.19 -51.56 69.45 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.189 179.309 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 89.2 t -68.53 -40.44 82.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.879 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -60.14 -46.75 88.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.881 0.372 . . . . 10.0 110.292 179.542 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -63.15 -40.57 97.95 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.9 -0.591 . . . . 10.0 109.996 179.116 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 316' ' ' LEU . . . . . 0.413 ' O ' ' HG ' ' A' ' 320' ' ' LEU . 20.9 mt -65.7 -44.08 87.22 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.43 179.195 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 317' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 317' ' ' ARG . 19.2 ttm105 -61.46 -46.56 89.52 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.296 -0.411 . . . . 10.0 110.413 179.338 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 5.1 m -66.67 -18.98 65.65 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.661 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -91.16 -38.54 12.67 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.552 -0.536 . . . . 10.0 109.552 179.377 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 320' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 316' ' ' LEU . 93.2 mt -70.46 -32.22 69.69 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.842 -0.617 . . . . 10.0 111.878 -179.699 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 321' ' ' ALA . . . . . 0.449 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -50.39 -59.64 6.82 Favored Pre-proline 0 CA--C 1.537 0.458 0 N-CA-C 112.418 0.525 . . . . 10.0 112.418 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 322' ' ' PRO . . . . . 0.449 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 47.6 Cg_endo -70.17 -26.81 25.26 Favored 'Trans proline' 0 C--N 1.355 0.918 0 C-N-CA 121.831 1.687 . . . . 10.0 111.846 179.29 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 15.5 m-30 -68.76 -48.07 64.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.479 -0.328 . . . . 10.0 110.672 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 324' ' ' SER . . . . . 0.56 ' HA ' ' HB2' ' A' ' 327' ' ' LEU . 7.0 p -69.0 -31.96 71.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.294 0.568 . . . . 10.0 110.151 179.174 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -63.58 -49.62 72.66 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.016 -0.735 . . . . 10.0 109.016 178.357 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 326' ' ' GLU . . . . . 0.563 ' O ' ' HG3' ' A' ' 330' ' ' ARG . 80.8 mt-10 -69.47 -29.29 66.93 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.41 -0.813 . . . . 10.0 109.315 178.611 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 327' ' ' LEU . . . . . 0.56 ' HB2' ' HA ' ' A' ' 324' ' ' SER . 0.5 OUTLIER -59.81 -35.69 75.21 Favored 'General case' 0 CA--C 1.52 -0.185 0 N-CA-C 109.138 -0.69 . . . . 10.0 109.138 178.422 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 328' ' ' ARG . . . . . 0.402 ' HG3' ' O ' ' A' ' 324' ' ' SER . 67.2 mtt180 -63.32 -40.93 98.71 Favored 'General case' 0 CA--C 1.518 -0.287 0 N-CA-C 108.899 -0.778 . . . . 10.0 108.899 178.288 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -67.75 -36.95 81.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.54 -0.755 . . . . 10.0 109.422 179.044 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 330' ' ' ARG . . . . . 0.788 HH21 ' HB3' ' D' ' 447' ' ' GLU . 1.2 mtt180 -64.87 -53.95 38.57 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-N 115.508 -0.769 . . . . 10.0 109.709 178.711 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 84.7 mt -58.18 -45.73 87.01 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.717 -0.674 . . . . 10.0 110.537 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -59.56 -50.75 72.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.344 179.454 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -61.84 -47.33 85.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.515 -0.312 . . . . 10.0 110.973 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 15.1 mmt180 -60.64 -48.88 79.81 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.781 179.433 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 62.6 mt -66.37 -34.48 78.06 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 112.023 0.379 . . . . 10.0 112.023 -179.541 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -68.72 -39.01 80.64 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.738 -0.467 . . . . 10.0 109.738 178.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -65.09 -40.8 95.13 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 108.041 -1.096 . . . . 10.0 108.041 177.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 338' ' ' LEU . . . . . 0.412 ' O ' ' HA3' ' A' ' 342' ' ' GLY . 42.7 mt -66.13 -24.94 66.77 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-N 115.286 -0.87 . . . . 10.0 110.885 178.659 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 48.9 mttt -80.63 -48.63 12.37 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.81 0.338 . . . . 10.0 110.584 179.241 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -64.93 -55.12 21.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.282 179.288 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -68.75 -39.69 80.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.224 179.692 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 342' ' ' GLY . . . . . 0.412 ' HA3' ' O ' ' A' ' 338' ' ' LEU . . . -61.76 -39.36 97.34 Favored Glycine 0 N--CA 1.453 -0.219 0 N-CA-C 111.278 -0.729 . . . . 10.0 111.278 179.127 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -63.04 -41.51 99.83 Favored Glycine 0 N--CA 1.446 -0.669 0 N-CA-C 110.573 -1.011 . . . . 10.0 110.573 178.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -66.42 -43.83 84.61 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 108.946 -0.761 . . . . 10.0 108.946 178.58 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 29.8 mtm180 -59.28 -43.72 92.52 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.831 178.739 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 30.6 mt -62.75 -46.52 87.66 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.015 178.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.69 -42.74 89.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.0 -0.546 . . . . 10.0 109.664 179.314 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 348' ' ' GLU . . . . . 0.604 ' HB3' ' HE2' ' A' ' 352' ' ' LYS . 2.6 mt-10 -66.47 -42.19 87.91 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.679 -0.691 . . . . 10.0 109.915 178.387 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 8.5 m-30 -62.1 -41.01 97.78 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.868 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 53.0 m-70 -62.38 -43.4 98.91 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 109.671 -0.492 . . . . 10.0 109.671 179.178 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -65.74 -46.27 79.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.787 -0.642 . . . . 10.0 109.525 178.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 352' ' ' LYS . . . . . 0.604 ' HE2' ' HB3' ' A' ' 348' ' ' GLU . 30.5 mttm -59.75 -43.68 94.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.39 179.27 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -63.59 -39.46 94.45 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.97 -0.381 . . . . 10.0 109.97 178.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 86.7 m -63.77 -48.26 77.66 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.7 -0.481 . . . . 10.0 109.7 178.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -63.39 -34.8 78.52 Favored 'General case' 0 C--O 1.226 -0.169 0 CA-C-O 121.01 0.433 . . . . 10.0 110.213 179.343 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 356' ' ' HIS . . . . . 0.461 ' O ' ' HB2' ' A' ' 360' ' ' LEU . 0.1 OUTLIER -73.1 -26.01 61.09 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.958 179.347 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 52.3 mt -79.18 -39.92 32.15 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.758 0.313 . . . . 10.0 110.587 179.296 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 1.2 p -66.91 -38.4 86.16 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.673 -0.492 . . . . 10.0 109.673 178.539 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 17.2 p -73.82 -30.02 62.47 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 116.005 -0.543 . . . . 10.0 109.837 178.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 360' ' ' LEU . . . . . 0.595 HD12 ' HD2' ' A' ' 363' ' ' LYS . 24.5 tp -69.21 -25.95 64.57 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 108.92 -0.77 . . . . 10.0 108.92 178.461 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 24.7 m -66.16 -25.78 67.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.619 -0.719 . . . . 10.0 110.207 179.387 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 362' ' ' GLU . . . . . 0.416 ' O ' ' HD2' ' A' ' 366' ' ' PRO . 7.4 mm-40 -71.5 -23.68 61.84 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 108.874 -0.787 . . . . 10.0 108.874 178.584 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 363' ' ' LYS . . . . . 0.829 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 87.6 mttt -91.81 -30.1 16.4 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.341 -0.845 . . . . 10.0 109.587 178.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 364' ' ' ALA . . . . . 0.453 ' HA ' HD12 ' A' ' 368' ' ' LEU . . . -80.7 -29.54 36.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.791 -0.64 . . . . 10.0 112.461 -179.293 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 365' ' ' LYS . . . . . 0.865 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 43.0 mtmt -105.7 -75.43 0.02 OUTLIER Pre-proline 0 CA--C 1.539 0.521 0 N-CA-C 113.083 0.771 . . . . 10.0 113.083 179.616 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 366' ' ' PRO . . . . . 0.865 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 31.9 Cg_exo -60.06 -56.85 0.95 Allowed 'Trans proline' 0 C--N 1.358 1.035 0 C-N-CA 122.21 1.94 . . . . 10.0 113.041 -179.178 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 367' ' ' ALA . . . . . 0.829 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -57.22 -48.2 79.41 Favored 'General case' 0 C--N 1.333 -0.135 0 N-CA-C 111.943 0.349 . . . . 10.0 111.943 -179.208 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 368' ' ' LEU . . . . . 0.453 HD12 ' HA ' ' A' ' 364' ' ' ALA . 2.3 mt -63.15 -36.06 82.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.65 0.262 . . . . 10.0 110.905 179.513 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -63.67 -48.77 75.85 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 109.226 -0.657 . . . . 10.0 109.226 178.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -59.07 -42.37 90.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.652 -0.704 . . . . 10.0 109.888 179.129 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 371' ' ' LEU . . . . . 0.427 ' O ' ' HG ' ' A' ' 375' ' ' LEU . 83.8 mt -64.26 -50.34 68.35 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.663 -0.698 . . . . 10.0 110.783 179.543 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 372' ' ' ARG . . . . . 0.431 ' O ' ' HG ' ' A' ' 376' ' ' LEU . 87.8 mtt180 -61.42 -46.96 87.94 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.448 -0.342 . . . . 10.0 111.647 -179.304 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -66.85 -19.96 65.83 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.935 0.397 . . . . 10.0 110.806 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -88.58 -37.33 7.53 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.935 -0.65 . . . . 10.0 111.553 178.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 375' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 371' ' ' LEU . 92.2 mt -72.68 -25.73 61.36 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 111.833 0.309 . . . . 10.0 111.833 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 376' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 372' ' ' ARG . 58.6 mt -54.46 -59.28 10.69 Favored Pre-proline 0 CA--C 1.537 0.48 0 N-CA-C 111.679 0.251 . . . . 10.0 111.679 179.394 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -65.87 -27.23 51.45 Favored 'Trans proline' 0 C--N 1.357 0.991 0 C-N-CA 121.955 1.77 . . . . 10.0 110.806 178.232 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 18.0 t -62.51 -47.53 92.53 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 N-CA-C 108.589 -0.893 . . . . 10.0 108.589 178.257 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 379' ' ' LEU . . . . . 0.475 ' O ' ' HG3' ' A' ' 383' ' ' LYS . 81.1 mt -61.44 -39.77 92.02 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.114 -0.698 . . . . 10.0 109.114 178.556 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -58.63 -48.94 79.3 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.839 -0.619 . . . . 10.0 111.127 179.309 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 5.3 p -67.56 -34.29 76.76 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 121.133 0.492 . . . . 10.0 110.468 179.278 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -68.13 -37.24 80.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.798 179.427 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 383' ' ' LYS . . . . . 0.475 ' HG3' ' O ' ' A' ' 379' ' ' LEU . 79.7 mttt -60.55 -50.55 73.08 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.683 -0.488 . . . . 10.0 109.683 179.223 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 51.9 t -59.89 -47.56 91.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.53 -0.759 . . . . 10.0 111.144 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 2.6 p -65.23 -40.89 94.69 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.63 -0.259 . . . . 10.0 111.695 -179.555 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 386' ' ' PHE . . . . . 0.402 ' HZ ' ' H76' ' A' ' 415' ' ' 17F . 3.1 m-85 -66.52 -41.37 88.92 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.596 0.236 . . . . 10.0 110.704 179.248 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 387' ' ' LEU . . . . . 0.463 ' O ' ' HG3' ' A' ' 391' ' ' GLU . 85.5 mt -63.6 -47.2 82.4 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.898 179.656 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 388' ' ' SER . . . . . 0.678 ' HB2' ' HE2' ' D' ' 594' ' ' LYS . 2.5 p -66.66 -33.75 76.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.846 0.355 . . . . 10.0 110.423 179.27 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -63.85 -43.41 96.22 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 109.334 -0.617 . . . . 10.0 109.334 178.593 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 76.0 mt -60.02 -37.79 80.76 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 116.162 -0.472 . . . . 10.0 109.864 178.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 391' ' ' GLU . . . . . 0.463 ' HG3' ' O ' ' A' ' 387' ' ' LEU . 42.2 mt-10 -63.99 -44.2 93.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.168 0.508 . . . . 10.0 109.894 178.618 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -63.18 -40.48 97.64 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.811 -0.632 . . . . 10.0 111.637 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 393' ' ' TYR . . . . . 0.412 ' O ' ' HB2' ' A' ' 397' ' ' LEU . 59.0 m-85 -76.72 2.76 13.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.877 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 57.2 m -114.26 -47.28 2.94 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.366 -0.379 . . . . 10.0 110.752 178.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -60.37 -34.14 73.45 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.794 0.664 . . . . 10.0 112.794 -179.166 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 1.9 mptt -111.23 11.69 21.77 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 113.585 0.958 . . . . 10.0 113.585 -178.197 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 397' ' ' LEU . . . . . 0.412 ' HB2' ' O ' ' A' ' 393' ' ' TYR . 66.1 mt -130.14 -13.15 4.03 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.389 0.515 . . . . 10.0 112.389 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 48.8 t30 . . . . . 0 C--N 1.327 -0.412 0 CA-C-N 116.566 -0.288 . . . . 10.0 110.652 179.925 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 4.2 mm? . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.981 0.419 . . . . 10.0 110.52 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 4.7 mtpm? -129.15 22.26 5.69 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.662 -0.699 . . . . 10.0 109.658 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 94.7 mt -78.63 -27.38 45.39 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.26 -0.882 . . . . 10.0 109.806 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 95.5 mt -63.65 -39.63 94.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.599 -0.728 . . . . 10.0 109.975 179.26 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -61.36 -47.32 86.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.296 -0.866 . . . . 10.0 109.765 179.462 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -67.82 -36.41 80.33 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.826 -0.624 . . . . 10.0 110.51 179.165 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.85 -32.57 71.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.502 . . . . 10.0 110.245 179.236 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -61.63 -45.58 93.46 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 115.909 -0.587 . . . . 10.0 109.472 178.665 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 1.5 m -61.39 -38.78 88.31 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 115.945 -0.571 . . . . 10.0 110.274 179.279 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 49.1 t -66.16 -42.97 92.19 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 CA-C-N 115.77 -0.65 . . . . 10.0 109.713 178.685 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 8.9 m -63.78 -40.4 96.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.211 179.432 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 13.1 m -62.15 -48.39 80.28 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 116.196 -0.457 . . . . 10.0 110.654 179.215 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 1.1 p -64.77 -36.69 85.14 Favored 'General case' 0 N--CA 1.456 -0.151 0 CA-C-N 116.671 -0.241 . . . . 10.0 111.111 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 4.7 m-30 -65.7 -43.61 88.65 Favored 'General case' 0 CA--C 1.522 -0.106 0 N-CA-C 109.904 -0.406 . . . . 10.0 109.904 179.058 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 20.3 m -66.45 -36.77 83.61 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 109.313 -0.625 . . . . 10.0 109.313 178.684 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 50.6 mmtt -66.33 -33.17 75.12 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 115.968 -0.56 . . . . 10.0 110.284 178.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 20.8 mt -65.41 -39.85 92.68 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 108.894 -0.78 . . . . 10.0 108.894 177.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -67.73 -36.71 81.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.538 -0.756 . . . . 10.0 109.888 178.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -64.24 -30.37 71.43 Favored 'General case' 0 C--N 1.334 -0.076 0 CA-C-N 115.663 -0.698 . . . . 10.0 109.398 178.342 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -80.06 -47.95 14.05 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.762 -0.654 . . . . 10.0 109.474 178.465 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 41.0 mt -46.62 -45.99 19.42 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 115.373 -0.83 . . . . 10.0 112.846 -179.398 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -49.78 -75.15 0.22 Allowed Glycine 0 C--N 1.335 0.496 0 C-N-CA 121.243 -0.503 . . . . 10.0 112.983 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 421' ' ' PRO . . . . . 0.628 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 50.2 Cg_exo -55.94 -45.89 35.31 Favored 'Trans proline' 0 CA--C 1.528 0.186 0 C-N-CA 122.865 2.377 . . . . 10.0 112.389 179.233 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 422' ' ' VAL . . . . . 0.471 ' O ' ' HB2' ' D' ' 426' ' ' PHE . 63.7 t -55.64 -49.88 70.97 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 N-CA-C 113.008 0.744 . . . . 10.0 113.008 -178.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 29.7 p -64.27 -39.74 94.55 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.919 -0.312 . . . . 10.0 111.221 -179.421 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -60.26 -51.62 68.79 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.539 -0.301 . . . . 10.0 110.757 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 425' ' ' GLU . . . . . 0.628 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 9.3 pt-20 -70.6 -31.73 68.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.828 179.768 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 426' ' ' PHE . . . . . 0.471 ' HB2' ' O ' ' D' ' 422' ' ' VAL . 5.4 t80 -67.6 -38.68 84.32 Favored 'General case' 0 CA--C 1.521 -0.166 0 N-CA-C 109.336 -0.616 . . . . 10.0 109.336 178.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 427' ' ' TRP . . . . . 0.479 ' O ' ' HG3' ' D' ' 431' ' ' GLU . 4.2 m95 -67.2 -40.06 86.44 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.285 -0.635 . . . . 10.0 109.285 178.189 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 428' ' ' ASP . . . . . 0.402 ' O ' ' HG3' ' D' ' 432' ' ' LYS . 23.5 t70 -65.89 -33.61 76.22 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.786 -0.82 . . . . 10.0 108.786 177.759 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -69.78 -41.23 75.39 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.959 -0.756 . . . . 10.0 108.959 177.332 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 430' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' D' ' 426' ' ' PHE . 79.2 mt -61.3 -37.56 83.64 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 115.594 -0.73 . . . . 10.0 109.165 178.404 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 431' ' ' GLU . . . . . 0.479 ' HG3' ' O ' ' D' ' 427' ' ' TRP . 29.2 mt-10 -65.37 -41.78 93.44 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.167 -0.679 . . . . 10.0 109.167 178.089 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 432' ' ' LYS . . . . . 0.402 ' HG3' ' O ' ' D' ' 428' ' ' ASP . 40.8 mttp -61.07 -44.17 97.78 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.227 -0.657 . . . . 10.0 109.227 178.14 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -64.64 -48.21 75.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.551 -0.749 . . . . 10.0 111.452 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 3.2 p -63.41 -41.12 98.72 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.925 -0.31 . . . . 10.0 110.396 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -61.29 -46.54 89.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.92 0.391 . . . . 10.0 110.03 178.381 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -62.23 -47.96 86.03 Favored Glycine 0 N--CA 1.443 -0.898 0 N-CA-C 110.268 -1.133 . . . . 10.0 110.268 178.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 437' ' ' LEU . . . . . 0.414 ' O ' ' HB2' ' D' ' 441' ' ' MET . 60.9 mt -60.88 -32.32 71.77 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 115.773 -0.213 . . . . 10.0 110.808 179.263 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 51.1 mtt180 -67.32 -43.2 82.18 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.567 -0.531 . . . . 10.0 109.567 178.468 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -65.42 -35.17 80.13 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.787 -0.642 . . . . 10.0 109.989 179.439 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -76.74 -50.75 12.84 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.753 -0.658 . . . . 10.0 110.436 179.302 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 441' ' ' MET . . . . . 0.414 ' HB2' ' O ' ' D' ' 437' ' ' LEU . 13.2 mmm -63.11 -34.22 77.13 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 113.716 1.006 . . . . 10.0 113.716 -178.653 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 4.1 p -62.04 -52.6 63.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.318 0.58 . . . . 10.0 109.841 179.353 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 443' ' ' LYS . . . . . 0.511 ' O ' ' HB2' ' D' ' 447' ' ' GLU . 63.0 tttp -66.47 -37.83 85.98 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.445 -0.798 . . . . 10.0 109.871 179.159 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -62.12 -56.21 21.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.755 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 21.0 mt -61.81 -47.4 85.3 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.299 0.481 . . . . 10.0 112.299 -179.288 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 50.4 mm-40 -59.58 -46.03 90.13 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 120.849 0.357 . . . . 10.0 110.869 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 447' ' ' GLU . . . . . 0.788 ' HB3' HH21 ' A' ' 330' ' ' ARG . 5.9 tt0 -68.2 -34.33 76.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.011 -0.54 . . . . 10.0 109.603 179.223 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 1.5 t -60.14 -41.58 87.08 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.172 0 CA-C-N 115.902 -0.59 . . . . 10.0 109.963 179.002 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -60.19 -45.36 93.41 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.114 0.483 . . . . 10.0 109.845 179.017 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -76.95 5.01 8.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.72 -0.673 . . . . 10.0 111.512 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 451' ' ' LYS . . . . . 0.424 ' HB3' H283 ' D' ' 601' ' ' PCW . 56.8 mttm -115.3 -44.76 2.97 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.375 -0.375 . . . . 10.0 110.475 179.174 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 95.1 t -65.36 -39.38 85.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.693 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 453' ' ' GLN . . . . . 0.478 ' HB2' ' HD3' ' D' ' 454' ' ' PRO . 66.8 mt-30 -55.38 -60.59 7.92 Favored Pre-proline 0 CA--C 1.537 0.469 0 CA-C-N 116.691 -0.231 . . . . 10.0 111.249 179.145 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 454' ' ' PRO . . . . . 0.478 ' HD3' ' HB2' ' D' ' 453' ' ' GLN . 41.3 Cg_endo -69.05 -23.26 34.25 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.014 1.809 . . . . 10.0 111.761 178.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 455' ' ' TYR . . . . . 0.438 ' O ' ' HB2' ' D' ' 459' ' ' PHE . 55.3 t80 -69.14 -48.2 63.0 Favored 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 108.655 -0.869 . . . . 10.0 108.655 178.61 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 49.8 mt -66.93 -35.25 79.57 Favored 'General case' 0 C--O 1.22 -0.496 0 CA-C-N 115.731 -0.668 . . . . 10.0 109.521 178.506 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 457' ' ' ASP . . . . . 0.457 ' HB3' ' HA ' ' D' ' 454' ' ' PRO . 6.0 t70 -61.54 -54.02 48.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.055 178.678 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 458' ' ' ASP . . . . . 0.574 ' HA ' ' HD2' ' D' ' 461' ' ' LYS . 35.8 t70 -64.4 -34.85 79.12 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.844 -0.617 . . . . 10.0 110.379 179.579 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 459' ' ' PHE . . . . . 0.438 ' HB2' ' O ' ' D' ' 455' ' ' TYR . 0.2 OUTLIER -69.95 -40.09 75.65 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.329 178.782 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -63.97 -35.21 79.94 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 109.255 -0.646 . . . . 10.0 109.255 178.507 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 461' ' ' LYS . . . . . 0.574 ' HD2' ' HA ' ' D' ' 458' ' ' ASP . 67.0 mttt -63.46 -46.22 87.21 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 115.626 -0.716 . . . . 10.0 109.141 177.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 6.9 mtmm -67.22 -34.96 78.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.056 178.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 17.8 m0 -63.98 -49.19 73.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.709 -0.678 . . . . 10.0 109.388 178.534 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -62.07 -41.94 98.68 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 115.833 -0.621 . . . . 10.0 110.109 179.094 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 465' ' ' GLU . . . . . 0.606 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 34.6 mt-10 -56.93 -53.71 54.85 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 109.756 -0.461 . . . . 10.0 109.756 179.073 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -61.34 -40.76 95.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.893 -0.594 . . . . 10.0 110.343 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 56.6 ttm -60.75 -47.69 85.15 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.14 -0.482 . . . . 10.0 109.932 179.397 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -63.6 -43.38 97.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.952 -0.567 . . . . 10.0 109.809 178.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 469' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' D' ' 465' ' ' GLU . 88.8 mt -62.93 -36.43 83.38 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.668 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 11.5 m-30 -65.91 -29.16 69.54 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.979 0.418 . . . . 10.0 110.816 179.406 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 74.5 mtt180 -73.2 -18.87 61.21 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.228 -0.656 . . . . 10.0 109.228 178.516 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -109.12 3.26 21.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.766 -0.652 . . . . 10.0 111.032 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 473' ' ' LYS . . . . . 0.651 ' HG2' HD13 ' A' ' 301' ' ' LEU . 52.0 mttp -125.51 -67.04 0.91 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.622 179.71 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 30.0 t -62.71 -43.34 98.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 10.0 111.389 -179.193 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -57.12 -59.47 12.57 Favored Pre-proline 0 CA--C 1.538 0.511 0 N-CA-C 112.657 0.614 . . . . 10.0 112.657 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -62.82 -38.61 47.38 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 121.725 1.617 . . . . 10.0 111.248 178.564 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 27.3 mt -63.7 -32.59 74.13 Favored 'General case' 0 C--O 1.22 -0.476 0 CA-C-N 116.699 -0.228 . . . . 10.0 110.414 179.215 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 13.7 mtt180 -61.29 -47.04 87.81 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.278 -0.638 . . . . 10.0 109.278 178.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -64.6 -44.53 90.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.578 179.734 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -64.93 -44.64 88.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.731 179.451 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 65.3 mt -66.55 -31.92 72.94 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.883 -0.414 . . . . 10.0 109.883 178.421 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -67.49 -40.97 85.22 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 108.782 -0.821 . . . . 10.0 108.782 177.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.12 -41.15 95.12 Favored 'General case' 0 CA--C 1.517 -0.29 0 N-CA-C 109.16 -0.681 . . . . 10.0 109.16 178.599 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -66.15 -36.93 92.53 Favored Glycine 0 N--CA 1.441 -0.972 0 N-CA-C 110.262 -1.135 . . . . 10.0 110.262 178.356 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -66.96 -43.63 82.6 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 109.045 -0.724 . . . . 10.0 109.045 178.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 81.5 mtt180 -64.51 -40.3 95.38 Favored 'General case' 0 CA--C 1.518 -0.272 0 O-C-N 123.596 0.56 . . . . 10.0 109.802 178.718 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.17 -53.6 53.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.816 -0.629 . . . . 10.0 109.712 179.048 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 70.0 tttt -65.54 -32.82 74.61 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.777 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 489' ' ' LEU . . . . . 0.458 ' O ' ' HG3' ' D' ' 493' ' ' GLN . 1.6 mt -63.83 -47.8 79.37 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 108.639 -0.874 . . . . 10.0 108.639 178.277 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -62.02 -43.96 97.73 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 108.353 -0.98 . . . . 10.0 108.353 178.398 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -54.72 -51.71 64.76 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.64 -0.709 . . . . 10.0 109.246 178.168 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 92.5 mt -60.75 -47.33 86.81 Favored 'General case' 0 C--O 1.217 -0.616 0 CA-C-N 115.461 -0.791 . . . . 10.0 111.353 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 493' ' ' GLN . . . . . 0.458 ' HG3' ' O ' ' D' ' 489' ' ' LEU . 95.6 mt-30 -59.73 -37.53 79.2 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.067 0.46 . . . . 10.0 111.293 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -69.74 -7.11 36.67 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.023 -0.535 . . . . 10.0 111.358 179.25 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 495' ' ' LYS . . . . . 0.899 ' HE3' HD22 ' A' ' 279' ' ' LEU . 16.5 mttp -116.76 -33.62 4.75 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.879 179.257 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 81.3 mt -64.67 -28.0 69.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.452 -0.34 . . . . 10.0 111.506 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 497' ' ' SER . . . . . 0.494 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 6.5 m -74.43 -60.92 1.27 Allowed Pre-proline 0 C--N 1.323 -0.546 0 C-N-CA 120.672 -0.411 . . . . 10.0 111.432 178.762 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 498' ' ' PRO . . . . . 0.494 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 30.1 Cg_endo -65.21 -50.35 2.1 Favored 'Trans proline' 0 C--N 1.359 1.107 0 C-N-CA 121.719 1.613 . . . . 10.0 112.244 179.463 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 499' ' ' LEU . . . . . 0.592 ' HB2' ' O ' ' D' ' 495' ' ' LYS . 6.5 mp -69.04 -28.73 66.82 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 120.548 0.213 . . . . 10.0 110.767 -179.696 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -65.89 -51.33 46.9 Favored Glycine 0 N--CA 1.446 -0.655 0 N-CA-C 110.014 -1.234 . . . . 10.0 110.014 178.263 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -65.36 -33.97 77.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.201 0.524 . . . . 10.0 109.616 178.294 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 502' ' ' GLU . . . . . 0.51 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 19.7 tt0 -63.97 -52.39 59.9 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.558 -0.746 . . . . 10.0 109.554 179.005 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 503' ' ' MET . . . . . 0.603 ' HA ' ' HD2' ' D' ' 506' ' ' ARG . 74.0 mmm -61.28 -37.22 82.38 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 121.019 0.438 . . . . 10.0 110.374 179.045 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 504' ' ' ARG . . . . . 0.447 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 76.9 mtt180 -65.67 -43.51 89.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.893 -0.594 . . . . 10.0 109.842 178.684 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 505' ' ' ASP . . . . . 0.728 ' HA ' ' HD2' ' D' ' 508' ' ' ARG . 4.6 t70 -69.09 -35.44 76.5 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.413 -0.358 . . . . 10.0 110.236 179.432 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 506' ' ' ARG . . . . . 0.603 ' HD2' ' HA ' ' D' ' 503' ' ' MET . 52.1 mtt180 -61.4 -43.44 98.86 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 107.525 -1.287 . . . . 10.0 107.525 177.179 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -61.82 -39.07 90.49 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-N 114.975 -1.012 . . . . 10.0 109.567 178.492 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 508' ' ' ARG . . . . . 0.728 ' HD2' ' HA ' ' D' ' 505' ' ' ASP . 83.7 mtt180 -61.26 -43.89 98.13 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.184 -0.673 . . . . 10.0 109.184 178.417 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 509' ' ' ALA . . . . . 0.4 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -63.86 -32.19 73.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.499 -0.773 . . . . 10.0 111.34 179.648 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 510' ' ' HIS . . . . . 0.506 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 80.3 m-70 -83.09 -46.88 12.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.204 179.778 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 79.2 t -63.22 -41.35 92.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.556 -0.293 . . . . 10.0 110.623 179.632 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 512' ' ' ASP . . . . . 0.592 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 15.0 t70 -65.9 -35.65 81.21 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.502 -0.555 . . . . 10.0 109.502 178.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -67.08 -43.16 83.31 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 108.648 -0.871 . . . . 10.0 108.648 178.071 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 514' ' ' LEU . . . . . 0.627 ' HA ' ' HB2' ' D' ' 517' ' ' HIS . 96.0 mt -60.6 -24.9 65.85 Favored 'General case' 0 CA--C 1.526 0.038 0 CA-C-O 120.97 0.414 . . . . 10.0 110.748 179.171 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 515' ' ' ARG . . . . . 0.592 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 77.7 mtt180 -69.47 -22.73 63.61 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.537 -0.542 . . . . 10.0 109.537 178.522 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.12 -4.58 15.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.807 -0.633 . . . . 10.0 110.109 179.119 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 517' ' ' HIS . . . . . 0.627 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 0.3 OUTLIER -103.45 -48.52 3.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.778 -0.647 . . . . 10.0 111.343 -179.565 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 52.2 mt -94.36 -49.44 5.7 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.265 -0.425 . . . . 10.0 112.126 -178.236 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 519' ' ' ALA . . . . . 0.557 ' HB3' ' O ' ' D' ' 515' ' ' ARG . . . -51.46 -55.31 30.33 Favored Pre-proline 0 CA--C 1.54 0.593 0 N-CA-C 114.298 1.221 . . . . 10.0 114.298 -178.535 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 520' ' ' PRO . . . . . 0.535 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 15.8 Cg_exo -70.72 -36.04 8.89 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 121.988 1.792 . . . . 10.0 111.812 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -69.53 -34.88 74.89 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.753 -0.658 . . . . 10.0 112.125 -178.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 522' ' ' SER . . . . . 0.571 ' HA ' HD12 ' D' ' 525' ' ' LEU . 3.1 p -63.96 -32.56 74.13 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.65 -0.5 . . . . 10.0 109.65 179.456 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 523' ' ' ASP . . . . . 0.759 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 13.3 t70 -70.52 -37.15 74.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.886 -0.597 . . . . 10.0 109.498 178.563 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -67.64 -35.33 78.69 Favored 'General case' 0 CA--C 1.521 -0.139 0 N-CA-C 108.453 -0.943 . . . . 10.0 108.453 177.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 525' ' ' LEU . . . . . 0.571 HD12 ' HA ' ' D' ' 522' ' ' SER . 74.9 mt -65.91 -36.18 82.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.351 -0.84 . . . . 10.0 108.953 177.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 526' ' ' ARG . . . . . 0.759 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 80.1 mtt180 -60.81 -32.5 71.87 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.509 179.517 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -67.37 -42.82 82.81 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.036 -0.727 . . . . 10.0 109.036 178.718 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 528' ' ' ARG . . . . . 0.748 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 84.1 mtt180 -69.5 -39.24 77.72 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.05 -0.977 . . . . 10.0 109.004 179.208 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 529' ' ' LEU . . . . . 0.48 ' O ' ' HB2' ' D' ' 533' ' ' LEU . 32.9 mt -61.02 -35.34 76.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.716 -0.674 . . . . 10.0 110.101 178.398 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -69.9 -40.19 75.76 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 115.812 -0.631 . . . . 10.0 109.654 178.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -68.26 -45.98 71.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.044 -0.525 . . . . 10.0 109.981 179.254 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 -60.79 -41.72 96.16 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.054 -0.721 . . . . 10.0 109.054 178.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 533' ' ' LEU . . . . . 0.48 ' HB2' ' O ' ' D' ' 529' ' ' LEU . 1.2 mt -67.47 -38.65 84.74 Favored 'General case' 0 C--O 1.221 -0.418 0 CA-C-N 115.848 -0.614 . . . . 10.0 110.483 178.824 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -61.49 -42.99 99.63 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.594 -0.521 . . . . 10.0 109.594 179.665 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -67.62 -44.5 77.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.85 -0.614 . . . . 10.0 109.887 178.672 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 58.0 mt -62.34 -37.78 86.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.804 -0.634 . . . . 10.0 110.89 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -74.52 -36.49 63.2 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.532 -0.303 . . . . 10.0 110.998 179.35 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -68.83 -56.83 6.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.792 0.329 . . . . 10.0 110.14 179.602 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 51.8 m-20 -65.58 -31.33 72.32 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 109.093 -0.706 . . . . 10.0 109.093 179.232 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -66.87 -41.56 93.39 Favored Glycine 0 N--CA 1.445 -0.743 0 N-CA-C 110.87 -0.892 . . . . 10.0 110.87 179.038 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -65.08 -38.63 95.58 Favored Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 110.104 -1.198 . . . . 10.0 110.104 178.582 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -67.29 -46.88 72.27 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 109.091 -0.707 . . . . 10.0 109.091 178.328 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 543' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' D' ' 543' ' ' ARG . 57.0 mtt85 -61.53 -28.48 69.35 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.961 179.155 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 20.0 mt -65.42 -44.72 86.49 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.229 -0.656 . . . . 10.0 109.229 178.151 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -69.75 -41.96 74.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.662 -0.699 . . . . 10.0 109.392 178.441 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 546' ' ' GLU . . . . . 0.421 ' O ' ' HB2' ' D' ' 550' ' ' LYS . 64.9 mt-10 -60.5 -47.08 87.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.651 -0.704 . . . . 10.0 110.447 179.191 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 547' ' ' TYR . . . . . 0.416 ' HB2' ' O ' ' D' ' 543' ' ' ARG . 0.8 OUTLIER -65.52 -36.06 82.69 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.879 179.446 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -67.61 -45.99 73.85 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.888 -0.412 . . . . 10.0 109.888 178.82 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -63.25 -41.72 99.1 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 108.968 -0.753 . . . . 10.0 108.968 178.297 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 550' ' ' LYS . . . . . 0.56 ' HD3' HG22 ' A' ' 224' ' ' VAL . 0.0 OUTLIER -62.63 -43.64 98.31 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.528 -0.76 . . . . 10.0 109.983 178.591 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -63.47 -35.28 79.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.283 -0.417 . . . . 10.0 110.38 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 38.8 m -68.58 -47.16 67.49 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.84 -0.618 . . . . 10.0 109.829 179.237 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -66.8 -36.49 82.5 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.134 0.493 . . . . 10.0 109.88 178.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 554' ' ' HIS . . . . . 0.441 ' O ' ' HG ' ' D' ' 558' ' ' LEU . 47.2 t-80 -66.86 -43.59 83.2 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.713 -0.676 . . . . 10.0 109.958 178.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 21.4 tp -61.33 -39.56 90.97 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.077 -0.511 . . . . 10.0 111.197 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.76 -40.41 88.23 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.445 -0.343 . . . . 10.0 110.489 179.326 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.87 -29.52 65.64 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 121.011 0.434 . . . . 10.0 109.989 178.451 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 558' ' ' LEU . . . . . 0.536 HD21 H261 ' A' ' 405' ' ' PCW . 24.5 mt -64.71 -54.33 33.17 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 115.828 -0.623 . . . . 10.0 109.417 178.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 559' ' ' SER . . . . . 0.582 ' HB2' ' HE3' ' D' ' 563' ' ' LYS . 2.0 p -63.81 -34.81 78.75 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.771 -0.649 . . . . 10.0 110.744 179.545 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -58.97 -33.44 70.66 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 116.045 -0.525 . . . . 10.0 109.89 178.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.5 27.78 9.35 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.054 179.385 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 562' ' ' ALA . . . . . 0.569 ' HB3' ' HA ' ' D' ' 559' ' ' SER . . . -125.95 -49.0 1.61 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.695 -0.684 . . . . 10.0 110.371 179.02 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 563' ' ' LYS . . . . . 0.582 ' HE3' ' HB2' ' D' ' 559' ' ' SER . 94.6 mttt -58.68 -62.13 6.31 Favored Pre-proline 0 CA--C 1.535 0.371 0 CA-C-N 116.519 -0.31 . . . . 10.0 111.373 179.475 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 564' ' ' PRO . . . . . 0.579 ' HD3' ' HB2' ' D' ' 563' ' ' LYS . 57.2 Cg_endo -70.91 -23.77 25.15 Favored 'Trans proline' 0 C--N 1.358 1.063 0 C-N-CA 121.784 1.656 . . . . 10.0 110.934 179.468 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -67.04 -50.69 61.16 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 115.773 -0.649 . . . . 10.0 109.551 179.519 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 43.5 mt -62.73 -34.78 77.9 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 109.336 -0.616 . . . . 10.0 109.336 178.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -62.19 -52.58 63.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.498 -0.773 . . . . 10.0 109.208 178.425 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -64.36 -36.02 82.78 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 116.123 -0.49 . . . . 10.0 110.101 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 8.8 mt -59.47 -51.97 67.59 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.262 -0.644 . . . . 10.0 109.262 178.373 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -66.45 -39.18 88.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.35 -0.386 . . . . 10.0 110.889 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -64.7 -23.31 67.21 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.885 179.632 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 572' ' ' GLY . . . . . 0.414 ' O ' ' HB ' ' D' ' 576' ' ' VAL . . . -97.6 -29.74 7.63 Favored Glycine 0 N--CA 1.446 -0.668 0 N-CA-C 111.08 -0.808 . . . . 10.0 111.08 178.591 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 573' ' ' LEU . . . . . 0.404 ' HA ' HG12 ' D' ' 576' ' ' VAL . 32.2 mt -70.54 -38.05 74.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.753 -0.224 . . . . 10.0 111.312 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 76.8 mt -56.37 -61.7 6.19 Favored Pre-proline 0 CA--C 1.536 0.437 0 N-CA-C 112.48 0.548 . . . . 10.0 112.48 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -64.96 -32.9 53.55 Favored 'Trans proline' 0 C--N 1.351 0.665 0 C-N-CA 121.766 1.644 . . . . 10.0 111.982 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 576' ' ' VAL . . . . . 0.414 ' HB ' ' O ' ' D' ' 572' ' ' GLY . 0.3 OUTLIER -68.56 -39.34 80.4 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-O 120.729 0.299 . . . . 10.0 110.671 179.783 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 10.3 mt -65.96 -45.27 82.36 Favored 'General case' 0 CA--C 1.515 -0.402 0 N-CA-C 109.565 -0.532 . . . . 10.0 109.565 178.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -58.8 -42.35 88.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.675 179.35 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 32.2 m -71.1 -40.65 71.38 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.266 -0.424 . . . . 10.0 110.555 179.231 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 3.1 m-30 -64.82 -38.13 89.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.603 -0.271 . . . . 10.0 111.246 179.082 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 83.1 mttt -56.61 -45.71 81.3 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.391 -0.368 . . . . 10.0 110.685 179.188 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 68.8 t -64.43 -38.3 82.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.292 0.568 . . . . 10.0 109.962 179.179 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 5.5 m -65.35 -38.42 90.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.703 -0.68 . . . . 10.0 110.553 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -73.18 -41.61 63.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.278 179.013 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 77.9 mt -60.67 -53.54 56.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.984 -0.553 . . . . 10.0 111.336 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 586' ' ' SER . . . . . 0.402 ' O ' ' HG3' ' D' ' 590' ' ' GLU . 23.4 p -63.05 -30.76 71.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.927 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -71.61 -56.7 5.36 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 116.503 -0.317 . . . . 10.0 110.181 178.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 87.5 mt -57.49 -42.96 83.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.075 -0.512 . . . . 10.0 111.737 -179.591 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 589' ' ' GLU . . . . . 0.429 ' O ' ' HG3' ' D' ' 593' ' ' LYS . 18.7 tt0 -59.41 -50.99 71.84 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.544 -0.298 . . . . 10.0 110.999 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 590' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' D' ' 586' ' ' SER . 5.8 mt-10 -68.56 -33.57 74.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.446 -0.343 . . . . 10.0 111.36 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -61.81 -42.59 99.21 Favored 'General case' 0 C--N 1.333 -0.127 0 N-CA-C 109.66 -0.496 . . . . 10.0 109.66 178.388 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 6.0 m -69.05 -30.43 68.78 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.163 179.358 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 593' ' ' LYS . . . . . 0.429 ' HG3' ' O ' ' D' ' 589' ' ' GLU . 85.5 mttt -68.84 -37.94 79.48 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.923 0.392 . . . . 10.0 110.209 178.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 594' ' ' LYS . . . . . 0.678 ' HE2' ' HB2' ' A' ' 388' ' ' SER . 12.4 mptt -79.4 -35.57 40.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.976 -0.556 . . . . 10.0 111.085 179.608 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 91.1 mt -88.46 26.35 1.48 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.0 0.429 . . . . 10.0 111.431 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 . . . . . 0 C--N 1.324 -0.524 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.97 -179.826 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.451 -0.401 0 CA-C-O 121.269 0.557 . . . . 10.0 110.683 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 2' ' ' THR . . . . . 0.45 ' HB ' ' CE2' ' B' ' 4' ' ' TYR . 0.0 OUTLIER -85.98 118.24 25.34 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.277 -179.663 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -85.91 127.83 34.7 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.767 -0.457 . . . . 10.0 109.767 179.649 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' TYR . . . . . 0.45 ' CE2' ' HB ' ' B' ' 2' ' ' THR . 46.8 m-85 -124.63 119.75 29.9 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 120.725 0.297 . . . . 10.0 110.75 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 50.2 mttm -87.21 110.22 20.02 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.044 -0.525 . . . . 10.0 111.005 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.528 HD11 HD22 ' B' ' 53' ' ' LEU . 0.4 OUTLIER -115.09 127.27 55.5 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.589 -179.115 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 7' ' ' VAL . . . . . 0.437 HG11 ' CD2' ' B' ' 71' ' ' TYR . 47.7 t -114.45 124.64 71.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.015 0.436 . . . . 10.0 110.721 179.419 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.637 HG12 ' HD2' ' B' ' 16' ' ' LYS . 6.0 t -86.89 110.23 20.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.08 -0.711 . . . . 10.0 109.08 179.034 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 16.1 m -111.63 147.96 15.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.184 0.516 . . . . 10.0 111.769 -178.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 149.87 175.8 22.41 Favored Glycine 0 N--CA 1.446 -0.692 0 CA-C-N 115.57 -0.741 . . . . 10.0 111.477 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.18 178.01 4.11 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.01 0.433 . . . . 10.0 111.138 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -89.8 146.39 24.49 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.416 -0.357 . . . . 10.0 110.689 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' GLY . . . . . 0.914 ' HA2' H5'1 ' B' ' 201' ' ' GSP . . . 83.72 7.21 86.26 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 121.051 -0.595 . . . . 10.0 113.623 179.143 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 24.3 m -89.65 -16.85 8.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 112.265 0.468 . . . . 10.0 112.265 -179.273 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' GLY . . . . . 0.729 ' HA2' ' H8 ' ' B' ' 201' ' ' GSP . . . 110.35 22.16 6.59 Favored Glycine 0 C--N 1.331 0.281 0 C-N-CA 120.534 -0.841 . . . . 10.0 113.34 179.224 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.637 ' HD2' HG12 ' B' ' 8' ' ' VAL . 11.6 mtmm -60.17 -42.54 95.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.221 0.534 . . . . 10.0 111.184 -179.414 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 17' ' ' SER . . . . . 0.488 ' OG ' ' O3G' ' B' ' 201' ' ' GSP . 60.9 m -86.21 -33.54 20.73 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.974 -179.368 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.59 -46.34 87.16 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.949 179.575 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 88.8 mt -63.69 -39.28 93.93 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.198 0.523 . . . . 10.0 110.695 179.337 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 25.3 m -68.35 -42.05 79.79 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.892 -0.594 . . . . 10.0 111.023 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' ILE . . . . . 0.431 HG13 ' O ' ' B' ' 17' ' ' SER . 97.8 mt -63.34 -35.65 73.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 109.819 -0.437 . . . . 10.0 109.819 179.397 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 22' ' ' GLN . . . . . 0.446 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 6.7 mm-40 -70.75 -16.85 62.79 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.236 179.374 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -94.4 -39.0 10.69 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.086 0.469 . . . . 10.0 111.267 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 38.5 mm -86.68 -65.62 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.111 -0.495 . . . . 10.0 111.96 -179.166 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -83.18 -13.83 54.65 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.86 0.362 . . . . 10.0 111.834 -179.027 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' ASN . . . . . 0.446 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 54.3 m-80 62.54 44.52 6.89 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 113.97 1.1 . . . . 10.0 113.97 178.065 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 5.6 p80 -152.48 159.39 43.34 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 122.246 -0.284 . . . . 10.0 111.058 178.641 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -114.2 121.07 42.61 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.272 -0.422 . . . . 10.0 111.377 -179.039 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 6.7 m -95.93 142.97 12.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.124 -0.489 . . . . 10.0 109.795 179.054 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.13 15.66 14.73 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.011 0.434 . . . . 10.0 110.321 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -104.79 131.47 52.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.464 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' TYR . . . . . 1.017 ' HD1' H5'2 ' B' ' 201' ' ' GSP . 25.2 t80 -81.9 120.3 25.03 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.952 -0.388 . . . . 10.0 109.952 178.573 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 33' ' ' ASP . . . . . 0.492 ' HA ' ' HD3' ' B' ' 34' ' ' PRO . 2.1 t70 -117.31 117.08 36.88 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-O 121.234 0.54 . . . . 10.0 111.163 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 34' ' ' PRO . . . . . 0.586 ' HA ' ' S1G' ' B' ' 201' ' ' GSP . 2.3 Cg_endo -86.44 63.63 4.86 Favored 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 123.239 2.626 . . . . 10.0 111.77 179.437 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.441 ' OG1' ' O3G' ' B' ' 201' ' ' GSP . 0.0 OUTLIER -63.75 118.27 8.07 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 116.167 -0.469 . . . . 10.0 111.122 179.818 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.864 ' HA ' ' HB2' ' B' ' 59' ' ' ALA . 42.6 mm -75.12 -49.44 28.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.502 -0.555 . . . . 10.0 109.502 179.082 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -140.15 115.76 10.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.769 -0.65 . . . . 10.0 110.25 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' ASP . . . . . 0.685 ' HB3' ' HB3' ' B' ' 57' ' ' ASP . 35.0 t0 -140.56 143.6 35.43 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.668 -0.494 . . . . 10.0 109.668 179.52 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 3.0 p -134.18 143.62 48.0 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.739 0.304 . . . . 10.0 111.064 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -138.16 146.96 43.37 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.48 -0.327 . . . . 10.0 111.145 -179.484 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.472 ' HA ' ' O ' ' B' ' 53' ' ' LEU . 2.2 mpp_? -123.49 139.71 53.74 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.07 179.292 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 54.5 tttp -152.16 133.89 14.75 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 110.307 -0.257 . . . . 10.0 110.307 -179.631 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.25 107.22 18.08 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.961 -0.385 . . . . 10.0 109.961 179.625 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 2.2 m -123.26 160.67 26.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.396 -0.365 . . . . 10.0 111.632 -179.171 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 16.5 t -98.15 103.93 15.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.072 -0.513 . . . . 10.0 109.72 179.522 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 79.8 mt -109.79 118.82 57.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.314 -0.403 . . . . 10.0 110.232 -179.486 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' ASP . . . . . 0.46 ' HA ' ' HB2' ' C' ' 128' ' ' LYS . 74.9 m-20 62.98 29.06 16.47 Favored 'General case' 0 C--O 1.234 0.273 0 O-C-N 123.617 0.573 . . . . 10.0 110.805 -179.63 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.52 -3.69 81.28 Favored Glycine 0 N--CA 1.452 -0.295 0 CA-C-N 115.657 -0.701 . . . . 10.0 111.979 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -107.08 116.85 32.65 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 110.26 -0.274 . . . . 10.0 110.26 -178.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.84 125.09 24.25 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.972 -0.381 . . . . 10.0 109.972 179.552 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 39.4 m -130.56 136.99 49.47 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 121.173 0.511 . . . . 10.0 111.88 -179.029 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 65.0 tp -95.18 113.57 25.27 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.291 -0.868 . . . . 10.0 108.729 178.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' LEU . . . . . 0.528 HD22 HD11 ' B' ' 6' ' ' LEU . 29.5 mt -84.59 117.93 24.04 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.824 -0.625 . . . . 10.0 112.135 -178.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -103.63 79.43 1.68 Allowed 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 107.332 -1.358 . . . . 10.0 107.332 177.62 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 55' ' ' ILE . . . . . 0.411 HG12 HD12 ' B' ' 6' ' ' LEU . 0.9 OUTLIER -79.92 148.14 6.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.088 -0.96 . . . . 10.0 111.834 -177.41 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 29.9 tp -135.74 111.5 9.39 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 115.645 -0.707 . . . . 10.0 110.745 179.376 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 57' ' ' ASP . . . . . 0.685 ' HB3' ' HB3' ' B' ' 38' ' ' ASP . 21.6 t70 -91.52 119.12 31.19 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.581 -0.896 . . . . 10.0 108.581 179.406 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 23.5 p -116.27 152.66 33.39 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.289 -0.414 . . . . 10.0 111.425 -178.382 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 59' ' ' ALA . . . . . 0.864 ' HB2' ' HA ' ' B' ' 36' ' ' ILE . . . -66.34 151.96 46.01 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.393 179.344 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -130.88 37.75 2.05 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.427 -0.892 . . . . 10.0 111.997 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -91.42 12.87 19.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.838 0.351 . . . . 10.0 110.816 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 69.27 172.31 0.3 Allowed 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.501 -0.772 . . . . 10.0 112.089 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 68.8 50.4 0.64 Allowed 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 121.543 0.687 . . . . 10.0 110.195 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 64' ' ' TYR . . . . . 0.492 ' O ' ' HB2' ' B' ' 68' ' ' ARG . 57.0 m-85 -135.29 41.79 2.77 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.516 -0.766 . . . . 10.0 109.391 179.527 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -56.49 -44.78 80.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.66 -0.7 . . . . 10.0 112.653 -178.483 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -77.43 -41.74 38.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.13 0.49 . . . . 10.0 111.883 -179.101 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 28.0 ttt -64.57 -40.24 95.2 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.874 -0.603 . . . . 10.0 111.821 -179.227 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 68' ' ' ARG . . . . . 0.662 ' HG2' ' HE3' ' B' ' 72' ' ' MET . 0.3 OUTLIER -58.84 -48.19 82.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 10.0 111.663 -179.45 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -55.37 -36.85 66.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.562 -0.745 . . . . 10.0 111.798 -179.166 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -61.49 -60.59 3.48 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.466 0.543 . . . . 10.0 112.466 -178.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 71' ' ' TYR . . . . . 0.437 ' CD2' HG11 ' B' ' 7' ' ' VAL . 30.1 p90 -71.85 -22.9 61.46 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 113.412 0.893 . . . . 10.0 113.412 -178.725 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 72' ' ' MET . . . . . 0.662 ' HE3' ' HG2' ' B' ' 68' ' ' ARG . 34.1 mtt -65.25 -32.43 74.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.081 0.467 . . . . 10.0 110.65 179.097 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 73' ' ' ARG . . . . . 0.738 ' HG3' HG12 ' B' ' 103' ' ' VAL . 7.6 mtm105 -87.96 1.56 53.81 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.222 -0.444 . . . . 10.0 110.356 179.763 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 9.3 m -108.79 -51.01 2.94 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.617 -179.129 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.93 147.21 46.05 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 121.129 -0.558 . . . . 10.0 113.608 -179.191 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -95.48 -48.9 5.65 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.724 -0.473 . . . . 10.0 109.724 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -108.1 132.28 11.03 Favored Glycine 0 N--CA 1.444 -0.774 0 N-CA-C 111.364 -0.694 . . . . 10.0 111.364 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 78' ' ' PHE . . . . . 0.625 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 82.9 m-85 -110.84 119.88 40.57 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.348 0.594 . . . . 10.0 111.806 -179.48 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 12.6 tp -90.12 104.19 16.78 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.49 -0.777 . . . . 10.0 109.466 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 80' ' ' CYS . . . . . 0.599 ' HB3' HD12 ' B' ' 93' ' ' ILE . 35.5 m -83.66 95.01 8.24 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.458 -0.337 . . . . 10.0 110.37 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 44.9 t -98.31 123.98 51.15 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 CA-C-O 120.935 0.398 . . . . 10.0 110.769 -179.532 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 32.2 p90 -127.23 161.82 27.64 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.364 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.741 ' HB3' ' HB3' ' B' ' 86' ' ' ASN . . . -97.32 125.63 42.03 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.194 179.604 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 2.2 pp -64.51 -23.35 33.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 111.774 0.287 . . . . 10.0 111.774 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 27.3 p-10 -100.02 11.24 39.81 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.322 -0.399 . . . . 10.0 111.117 -179.571 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.741 ' HB3' ' HB3' ' B' ' 83' ' ' ALA . 25.7 t-20 -136.45 95.86 3.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.103 0.478 . . . . 10.0 110.035 179.613 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.97 -30.71 68.13 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.679 -0.691 . . . . 10.0 112.23 -178.809 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -57.77 -47.7 81.78 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.192 -0.458 . . . . 10.0 111.602 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 89' ' ' SER . . . . . 0.471 ' O ' HG12 ' B' ' 93' ' ' ILE . 78.6 p -62.2 -35.81 79.99 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 111.827 0.306 . . . . 10.0 111.827 -179.588 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -66.92 -43.52 83.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.139 0.495 . . . . 10.0 110.535 179.601 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -69.01 -33.01 72.97 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.064 0.459 . . . . 10.0 110.271 178.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.66 -27.48 68.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.392 -0.822 . . . . 10.0 110.983 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 93' ' ' ILE . . . . . 0.599 HD12 ' HB3' ' B' ' 80' ' ' CYS . 44.7 mm -56.84 -38.77 60.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-N 116.092 -0.504 . . . . 10.0 110.157 178.71 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 57.5 t60 -62.6 -46.08 89.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.976 -0.557 . . . . 10.0 109.845 179.568 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 24.2 m-70 -68.57 -31.28 70.37 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.035 -0.53 . . . . 10.0 111.529 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 96' ' ' TYR . . . . . 0.5 ' O ' HG13 ' B' ' 100' ' ' ILE . 20.2 m-30 -67.93 -49.22 63.08 Favored 'General case' 0 CA--C 1.521 -0.165 0 N-CA-C 109.37 -0.604 . . . . 10.0 109.37 178.722 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 97' ' ' ARG . . . . . 0.483 ' CZ ' ' HD3' ' B' ' 101' ' ' LYS . 4.3 tmt_? -58.87 -43.37 90.84 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.756 -0.657 . . . . 10.0 111.034 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -62.15 -35.57 79.19 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.941 0.4 . . . . 10.0 110.69 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 99' ' ' GLN . . . . . 0.465 ' O ' HG23 ' B' ' 103' ' ' VAL . 63.2 tt0 -70.54 -44.34 67.68 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.101 -0.499 . . . . 10.0 109.856 179.165 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 100' ' ' ILE . . . . . 0.5 HG13 ' O ' ' B' ' 96' ' ' TYR . 84.0 mt -56.7 -45.09 82.66 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.746 179.613 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 101' ' ' LYS . . . . . 0.483 ' HD3' ' CZ ' ' B' ' 97' ' ' ARG . 32.4 mtmt -57.67 -40.15 78.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.973 -0.558 . . . . 10.0 111.695 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 15.9 ttm180 -66.95 -45.7 76.97 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.934 -0.576 . . . . 10.0 110.877 -179.679 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 103' ' ' VAL . . . . . 0.738 HG12 ' HG3' ' B' ' 73' ' ' ARG . 33.3 t -66.93 -49.28 75.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.853 -0.612 . . . . 10.0 112.348 -179.081 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 104' ' ' LYS . . . . . 0.436 ' HD2' ' HE2' ' B' ' 78' ' ' PHE . 24.2 mtpp -79.37 -11.53 59.92 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.567 -0.288 . . . . 10.0 111.297 -179.21 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 7.8 t70 56.65 51.19 11.44 Favored 'General case' 0 N--CA 1.465 0.31 0 O-C-N 123.638 0.586 . . . . 10.0 111.594 179.396 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 8.9 t -157.15 152.11 25.9 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.948 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 28.1 tp10 -93.45 -14.52 26.62 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.249 0.547 . . . . 10.0 109.795 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -112.5 106.56 15.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.947 -0.569 . . . . 10.0 110.048 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 0.432 ' HA ' ' HD3' ' B' ' 110' ' ' PRO . 61.9 t -131.77 132.22 23.17 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.404 -0.362 . . . . 10.0 110.325 -179.182 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 110' ' ' PRO . . . . . 0.675 ' HG3' ' HB2' ' B' ' 166' ' ' HIS . 24.7 Cg_exo -64.61 103.59 0.48 Allowed 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.857 2.371 . . . . 10.0 111.829 179.321 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 111' ' ' MET . . . . . 0.625 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 46.6 mtm -134.0 155.91 49.13 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.244 -0.434 . . . . 10.0 110.038 179.774 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 69.4 t -136.2 127.66 43.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.526 -0.546 . . . . 10.0 109.526 179.444 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 19.2 tp -84.92 111.87 20.06 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.399 -0.593 . . . . 10.0 109.399 179.692 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 77.2 t -115.86 118.22 58.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.15 -0.477 . . . . 10.0 111.664 -178.279 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -97.45 122.61 7.52 Favored Glycine 0 N--CA 1.444 -0.773 0 N-CA-C 109.451 -1.46 . . . . 10.0 109.451 178.361 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 116' ' ' ASN . . . . . 0.457 ' ND2' ' N7 ' ' B' ' 201' ' ' GSP . 65.0 t30 -105.95 158.56 16.69 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 117.179 0.489 . . . . 10.0 111.613 -178.755 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 117' ' ' LYS . . . . . 0.522 ' HE2' ' C4 ' ' B' ' 201' ' ' GSP . 70.4 mttt 68.22 29.04 6.24 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 123.862 0.726 . . . . 10.0 111.489 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 94.3 m -64.98 -9.8 24.35 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 112.832 0.678 . . . . 10.0 112.832 -179.457 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -94.41 1.43 55.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.936 0.398 . . . . 10.0 111.465 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 120' ' ' LEU . . . . . 0.475 ' HA ' ' HD3' ' B' ' 121' ' ' PRO . 21.4 mt -85.17 141.56 37.44 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.584 -0.28 . . . . 10.0 110.571 179.298 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 121' ' ' PRO . . . . . 0.475 ' HD3' ' HA ' ' B' ' 120' ' ' LEU . 14.9 Cg_exo -70.29 135.88 30.25 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.906 2.404 . . . . 10.0 112.431 -179.522 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 4.2 m 71.86 93.93 0.08 Allowed 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 113.064 0.764 . . . . 10.0 113.064 179.407 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -106.04 146.45 30.09 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.924 -0.58 . . . . 10.0 109.781 179.176 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.72 -49.6 8.96 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 120.697 0.284 . . . . 10.0 111.45 -179.516 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 95.7 t -89.31 118.31 34.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 N-CA-C 109.525 -0.546 . . . . 10.0 109.525 179.109 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -74.03 152.32 40.03 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.94 -0.573 . . . . 10.0 109.893 179.576 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 1.2 m -59.71 -31.25 69.43 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.427 -0.351 . . . . 10.0 111.021 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 128' ' ' LYS . . . . . 0.79 ' HB3' ' HA ' ' C' ' 47' ' ' ASP . 31.9 mtmm -59.85 -59.55 5.24 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.305 -0.407 . . . . 10.0 111.472 179.532 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -64.37 -30.21 71.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.393 -0.367 . . . . 10.0 111.73 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.8 -45.0 88.12 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.939 0.4 . . . . 10.0 110.637 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -74.45 -25.18 59.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.796 179.61 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -64.28 -48.36 76.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.923 -0.581 . . . . 10.0 110.3 178.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 48.5 tp -61.5 -46.27 90.69 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.174 0.512 . . . . 10.0 110.939 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.8 -39.66 92.49 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.537 -0.756 . . . . 10.0 111.172 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 10.9 ttm180 -59.95 -46.78 88.3 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.408 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 22.3 m -69.7 -28.62 65.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.305 -0.407 . . . . 10.0 111.859 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 2.4 m-30 -78.88 -35.47 43.65 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.146 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 97.43 21.65 19.02 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.821 -0.704 . . . . 10.0 111.596 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 36.4 pt -118.06 153.21 51.17 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-O 120.6 0.238 . . . . 10.0 110.468 -179.562 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -78.13 146.93 23.1 Favored 'Trans proline' 0 CA--C 1.531 0.352 0 C-N-CA 122.404 2.07 . . . . 10.0 112.562 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -114.83 130.73 56.92 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.017 -0.538 . . . . 10.0 109.934 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 142' ' ' ILE . . . . . 0.519 ' CD1' ' HA ' ' B' ' 155' ' ' ALA . 34.9 mt -128.86 133.67 65.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.996 0.427 . . . . 10.0 111.597 -179.439 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -93.04 118.22 30.94 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 107.958 -1.127 . . . . 10.0 107.958 178.184 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 51.6 p -126.38 178.93 5.55 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 113.318 0.859 . . . . 10.0 113.318 -177.327 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 13.5 t -163.06 121.62 2.06 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.9 -1.148 . . . . 10.0 107.9 178.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -75.86 -23.74 55.69 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.299 0.571 . . . . 10.0 109.582 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 72.1 tttt -64.97 -52.53 55.78 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.055 -0.975 . . . . 10.0 111.114 179.572 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -92.58 -7.54 46.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.574 0.226 . . . . 10.0 111.117 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 149' ' ' ARG . . . . . 0.422 ' O ' ' HG3' ' B' ' 149' ' ' ARG . 0.6 OUTLIER 60.69 15.6 5.94 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 113.044 0.757 . . . . 10.0 113.044 -179.791 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -84.44 126.73 33.52 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.544 -179.493 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 92.57 -14.87 63.8 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 120.902 -0.666 . . . . 10.0 112.892 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 152' ' ' VAL . . . . . 0.426 ' O ' ' HD2' ' B' ' 156' ' ' PHE . 67.6 t -57.83 -48.9 82.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.923 0.392 . . . . 10.0 111.353 -179.705 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -63.01 -45.37 92.68 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.401 -0.363 . . . . 10.0 110.443 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -55.87 -43.75 77.43 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.716 -0.674 . . . . 10.0 111.61 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 155' ' ' ALA . . . . . 0.519 ' HA ' ' CD1' ' B' ' 142' ' ' ILE . . . -60.06 -47.35 86.24 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.832 -0.622 . . . . 10.0 111.879 179.744 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 156' ' ' PHE . . . . . 0.426 ' HD2' ' O ' ' B' ' 152' ' ' VAL . 46.4 m-85 -66.26 -39.33 89.39 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.751 -179.543 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -63.71 -46.54 85.0 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.228 0.537 . . . . 10.0 110.286 179.451 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 158' ' ' THR . . . . . 0.421 ' O ' ' HG2' ' B' ' 162' ' ' GLU . 59.0 m -59.99 -47.28 86.49 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.2 -0.909 . . . . 10.0 113.002 -178.571 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 55.2 tp -57.6 -41.82 81.98 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 111.919 0.34 . . . . 10.0 111.919 -178.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 78.6 t -61.99 -40.12 86.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.19 0.519 . . . . 10.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 161' ' ' ARG . . . . . 0.554 ' HD2' ' HA ' ' C' ' 132' ' ' ASP . 7.1 ttp180 -69.45 -32.52 71.51 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.883 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 162' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' B' ' 158' ' ' THR . 33.2 mm-40 -67.03 -31.95 72.82 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.97 0.414 . . . . 10.0 110.18 178.787 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 78.6 mt -70.59 -42.91 78.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 108.645 -0.872 . . . . 10.0 108.645 178.534 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 24.9 ttm180 -63.61 -36.94 85.48 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 108.596 -0.89 . . . . 10.0 108.596 178.259 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 165' ' ' LYS . . . . . 0.485 ' HG2' ' CD ' ' B' ' 169' ' ' LYS . 32.8 ttmt -62.72 -43.56 98.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 114.862 -1.063 . . . . 10.0 110.23 178.834 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 166' ' ' HIS . . . . . 0.675 ' HB2' ' HG3' ' B' ' 110' ' ' PRO . 37.8 t-80 -56.53 -50.35 72.09 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.381 -0.372 . . . . 10.0 110.468 179.691 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -62.96 -41.71 99.61 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.999 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -63.08 -50.56 70.06 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.322 179.088 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 169' ' ' LYS . . . . . 0.485 ' CD ' ' HG2' ' B' ' 165' ' ' LYS . 6.5 mtpm? -59.8 -41.75 91.89 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.423 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 86.2 mmm -68.77 -28.25 66.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.35 -0.386 . . . . 10.0 111.831 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 49.7 m -71.83 -21.45 61.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.168 0.509 . . . . 10.0 110.329 179.517 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 42.9 mtpt -88.88 -8.5 54.16 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.816 -0.629 . . . . 10.0 109.873 179.431 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 173' ' ' ASP . . . . . . . . . . . . . 2.0 t70 70.8 -59.13 0.54 Allowed 'General case' 0 N--CA 1.468 0.445 0 O-C-N 124.028 0.83 . . . . 10.0 111.678 -179.529 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . 160.91 -136.64 4.55 Favored Glycine 0 N--CA 1.447 -0.623 0 N-CA-C 110.321 -1.112 . . . . 10.0 110.321 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 175' ' ' LYS . . . . . 0.64 ' H ' ' C3 ' ' C' ' 215' ' ' 17F . 5.9 ttpp -107.59 57.1 0.63 Allowed 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 108.74 -0.837 . . . . 10.0 108.74 179.137 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 176' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -76.87 -35.03 57.73 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.924 -0.58 . . . . 10.0 111.778 -179.001 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 177' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -97.55 123.66 41.51 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 112.232 0.456 . . . . 10.0 112.232 -178.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 178' ' ' LYS . . . . . 0.479 ' HE2' ' H2 ' ' B' ' 210' ' ' 17F . 9.3 ttmm -114.82 135.76 53.83 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.17 -0.678 . . . . 10.0 109.17 178.412 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 179' ' ' LYS . . . . . . . . . . . . . 36.7 tptt -104.12 80.15 1.69 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.042 0.448 . . . . 10.0 111.232 -179.52 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -126.86 96.55 4.67 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.169 -0.468 . . . . 10.0 110.45 179.6 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 4.3 m -88.95 131.13 35.29 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.406 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 182' ' ' LYS . . . . . 0.418 ' HB2' ' H ' ' B' ' 183' ' ' THR . 0.0 OUTLIER -129.74 -154.57 0.64 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.372 179.902 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 183' ' ' THR . . . . . 0.418 ' H ' ' HB2' ' B' ' 182' ' ' LYS . 0.0 OUTLIER -67.81 -68.97 0.35 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.429 -0.35 . . . . 10.0 111.093 179.768 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 184' ' ' LYS . . . . . 0.912 ' H ' ' H82' ' A' ' 409' ' ' PCW . 48.1 tttp . . . . . 0 C--O 1.234 0.243 0 CA-C-N 116.567 -0.288 . . . . 10.0 110.715 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 C--O 1.234 0.243 0 CA-C-O 120.523 0.202 . . . . 10.0 110.786 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 3.3 m -68.09 121.78 16.86 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 120.784 0.326 . . . . 10.0 110.962 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 3' ' ' GLU . . . . . 0.411 ' HA ' ' HB3' ' C' ' 52' ' ' LEU . 46.1 tt0 -92.25 137.18 32.58 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.827 0.346 . . . . 10.0 111.175 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 4' ' ' TYR . . . . . 0.5 ' CD2' ' HB3' ' C' ' 51' ' ' CYS . 86.7 m-85 -127.28 120.6 29.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.087 179.548 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 5' ' ' LYS . . . . . 0.508 ' HA ' ' HB3' ' C' ' 54' ' ' ASP . 49.9 mttm -88.52 109.09 19.77 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.231 0.539 . . . . 10.0 110.495 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 6' ' ' LEU . . . . . 0.577 ' O ' ' HA ' ' C' ' 55' ' ' ILE . 11.1 mt -109.67 118.65 37.12 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.239 -0.891 . . . . 10.0 110.503 -179.038 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 17.2 t -104.59 131.53 53.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 110.131 -0.322 . . . . 10.0 110.131 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 3.3 t -92.59 108.32 20.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 109.687 -0.486 . . . . 10.0 109.687 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 9' ' ' VAL . . . . . 0.471 HG23 ' HA ' ' C' ' 80' ' ' CYS . 15.8 m -106.98 147.45 12.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.569 -179.457 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 150.34 170.23 17.32 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.613 -0.803 . . . . 10.0 111.318 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.19 175.11 6.33 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.17 0.509 . . . . 10.0 110.586 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.03 153.37 21.06 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.037 -0.529 . . . . 10.0 111.071 179.708 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 13' ' ' GLY . . . . . 0.416 ' HA2' ' HE1' ' C' ' 32' ' ' TYR . . . 79.29 4.77 89.15 Favored Glycine 0 N--CA 1.447 -0.595 0 CA-C-N 115.582 -0.735 . . . . 10.0 113.261 179.544 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 17.0 m -86.56 -25.7 6.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 117.117 0.459 . . . . 10.0 111.317 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 113.59 26.52 3.9 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 120.515 -0.85 . . . . 10.0 114.14 178.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 16' ' ' LYS . . . . . 0.596 ' HE2' ' OD1' ' C' ' 57' ' ' ASP . 1.4 mtmm -62.85 -39.17 93.55 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 121.379 0.609 . . . . 10.0 110.789 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 3.8 m -74.93 -43.94 51.36 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.473 -0.785 . . . . 10.0 110.268 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.43 -44.99 76.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.066 -0.515 . . . . 10.0 111.232 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 94.9 mt -63.29 -52.53 61.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 10.0 111.85 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 3.7 m -63.36 -42.23 98.89 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.191 0.441 . . . . 10.0 112.191 -179.037 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 95.5 mt -64.49 -27.96 43.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.961 0.41 . . . . 10.0 110.765 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 22' ' ' GLN . . . . . 0.596 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 5.4 mm-40 -68.12 -14.74 63.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.135 -0.484 . . . . 10.0 111.618 179.18 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 23.1 tp -107.28 -35.46 6.81 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.89 0.376 . . . . 10.0 110.179 178.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 48.4 mm -75.97 -48.32 29.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.26 -0.427 . . . . 10.0 111.517 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -108.46 -17.24 14.03 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.728 0.299 . . . . 10.0 110.527 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 26' ' ' ASN . . . . . 0.596 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 2.1 t-20 65.52 37.5 6.03 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.806 -0.634 . . . . 10.0 111.279 -179.623 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 -137.76 152.72 49.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.705 -0.68 . . . . 10.0 109.853 179.253 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -96.67 120.69 37.46 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.506 -0.316 . . . . 10.0 111.266 -179.242 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 29' ' ' VAL . . . . . 0.413 HG22 ' H ' ' C' ' 29' ' ' VAL . 0.2 OUTLIER -78.96 111.79 16.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.026 -0.533 . . . . 10.0 109.821 179.585 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -91.53 -11.52 37.12 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.115 0.483 . . . . 10.0 110.108 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -106.64 119.64 39.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.456 -0.793 . . . . 10.0 109.658 178.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 32' ' ' TYR . . . . . 0.721 ' CD1' H5'2 ' C' ' 201' ' ' GSP . 40.4 t80 -65.22 135.39 55.36 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.357 0.503 . . . . 10.0 112.357 -178.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 33' ' ' ASP . . . . . 0.432 ' O ' ' S1G' ' C' ' 201' ' ' GSP . 35.3 t70 -139.45 106.02 7.11 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 115.954 -0.566 . . . . 10.0 109.627 178.11 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_exo -53.11 124.41 15.55 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 123.179 2.586 . . . . 10.0 112.279 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 35' ' ' THR . . . . . 0.413 ' OG1' ' O3G' ' C' ' 201' ' ' GSP . 3.3 m -98.55 122.11 41.34 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.585 -179.453 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 47.9 mm -93.54 -49.7 12.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 108.996 -0.742 . . . . 10.0 108.996 178.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -168.15 85.05 0.19 Allowed 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.363 -0.835 . . . . 10.0 109.166 179.658 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -114.5 123.12 48.61 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.418 -0.355 . . . . 10.0 110.626 -179.282 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 1.5 m -95.63 147.8 23.21 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.992 -179.119 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 40' ' ' TYR . . . . . 0.68 ' HB2' ' HB ' ' C' ' 55' ' ' ILE . 56.4 m-85 -129.01 136.92 50.96 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.493 -0.558 . . . . 10.0 109.493 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -128.11 139.73 52.34 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 121.28 -0.168 . . . . 10.0 110.555 179.278 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 42.4 tttp -158.2 161.77 37.84 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.413 -0.358 . . . . 10.0 110.272 -179.672 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -129.86 112.42 13.55 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.576 -0.528 . . . . 10.0 109.576 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 24.4 m -135.5 164.44 32.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.783 0.325 . . . . 10.0 111.105 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 62.4 t -98.53 116.82 42.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.304 179.433 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 75.0 mt -119.69 120.16 62.56 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 CA-C-N 115.806 -0.633 . . . . 10.0 110.12 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 47' ' ' ASP . . . . . 0.79 ' HA ' ' HB3' ' B' ' 128' ' ' LYS . 41.2 m-20 63.05 16.83 9.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.492 -0.776 . . . . 10.0 111.612 -179.444 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.07 -7.48 52.42 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.898 -0.667 . . . . 10.0 112.551 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -105.46 135.25 47.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.563 0.221 . . . . 10.0 110.666 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 1.7 m -80.61 105.79 12.12 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.997 -1.112 . . . . 10.0 107.997 178.093 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 51' ' ' CYS . . . . . 0.5 ' HB3' ' CD2' ' C' ' 4' ' ' TYR . 3.1 m -103.76 138.02 40.97 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 112.554 0.576 . . . . 10.0 112.554 -177.44 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 52' ' ' LEU . . . . . 0.411 ' HB3' ' HA ' ' C' ' 3' ' ' GLU . 47.9 tp -91.03 115.9 28.38 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.447 -1.316 . . . . 10.0 107.447 177.451 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 34.0 mt -88.37 120.59 29.89 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 112.724 0.639 . . . . 10.0 112.724 -177.489 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 54' ' ' ASP . . . . . 0.508 ' HB3' ' HA ' ' C' ' 5' ' ' LYS . 38.9 t70 -111.16 81.98 1.53 Allowed 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 107.171 -1.418 . . . . 10.0 107.171 177.136 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 55' ' ' ILE . . . . . 0.68 ' HB ' ' HB2' ' C' ' 40' ' ' TYR . 1.1 mp -92.78 154.24 3.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.695 -0.684 . . . . 10.0 111.612 -178.16 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 21.3 tp -151.92 120.07 6.3 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.801 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 57' ' ' ASP . . . . . 0.596 ' OD1' ' HE2' ' C' ' 16' ' ' LYS . 18.6 t0 -96.01 118.64 33.01 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 108.746 -0.835 . . . . 10.0 108.746 178.835 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 15.7 p -103.24 171.86 7.14 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.175 0.512 . . . . 10.0 112.089 -178.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.86 145.91 49.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.813 -0.63 . . . . 10.0 111.149 -179.591 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -123.03 29.17 5.42 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.844 -0.694 . . . . 10.0 111.382 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -103.24 19.85 18.84 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.698 0.285 . . . . 10.0 110.685 -179.422 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 62' ' ' GLU . . . . . 0.471 ' HG3' ' H ' ' C' ' 63' ' ' GLU . 4.7 tp10 61.36 -154.18 0.36 Allowed 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.042 -179.019 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 63' ' ' GLU . . . . . 0.471 ' H ' ' HG3' ' C' ' 62' ' ' GLU . 2.7 tm-20 71.45 -50.03 0.69 Allowed 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 113.154 0.798 . . . . 10.0 113.154 179.555 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 64' ' ' TYR . . . . . 0.637 ' HB3' ' HB3' ' C' ' 67' ' ' MET . 58.3 m-85 -78.23 58.33 2.04 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.406 -0.361 . . . . 10.0 111.941 -179.403 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 1.1 m -68.28 -42.73 79.09 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.492 -0.322 . . . . 10.0 110.883 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.31 -33.28 49.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.947 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 67' ' ' MET . . . . . 0.637 ' HB3' ' HB3' ' C' ' 64' ' ' TYR . 4.3 ttp -68.9 -36.9 78.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.297 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 68' ' ' ARG . . . . . 0.522 ' HA ' ' CD2' ' C' ' 71' ' ' TYR . 12.8 ttp180 -65.1 -31.45 72.67 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.813 -0.63 . . . . 10.0 110.777 179.36 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -58.95 -38.23 78.57 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.569 -0.741 . . . . 10.0 111.06 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -59.17 -48.16 82.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.958 -0.565 . . . . 10.0 111.763 -179.634 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 71' ' ' TYR . . . . . 0.522 ' CD2' ' HA ' ' C' ' 68' ' ' ARG . 4.6 m-85 -66.71 -29.59 69.62 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.55 -0.295 . . . . 10.0 111.577 -178.483 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 72' ' ' MET . . . . . 0.549 ' HA ' ' CZ ' ' C' ' 78' ' ' PHE . 0.5 OUTLIER -64.41 -35.41 80.82 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.847 0.684 . . . . 10.0 112.847 -178.754 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 73' ' ' ARG . . . . . 0.662 ' HG3' HG12 ' C' ' 103' ' ' VAL . 30.0 mtm180 -78.79 -33.69 46.08 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.553 0.575 . . . . 10.0 112.553 -179.664 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 3.0 m -80.83 -41.97 22.39 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.304 0.483 . . . . 10.0 112.304 -179.051 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -69.2 148.57 47.72 Favored Glycine 0 CA--C 1.52 0.357 0 C-N-CA 121.075 -0.583 . . . . 10.0 113.638 -178.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -98.88 -56.3 2.47 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.783 -0.451 . . . . 10.0 109.783 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -107.28 139.25 14.89 Favored Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 111.328 -0.709 . . . . 10.0 111.328 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 78' ' ' PHE . . . . . 0.643 ' HB2' ' HG2' ' C' ' 111' ' ' MET . 96.2 m-85 -116.41 119.45 35.7 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.118 0.485 . . . . 10.0 111.828 -179.107 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 79' ' ' LEU . . . . . 0.612 ' HB2' HD22 ' C' ' 159' ' ' LEU . 14.0 tp -94.3 102.8 14.81 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.676 -0.693 . . . . 10.0 110.047 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 80' ' ' CYS . . . . . 0.471 ' HA ' HG23 ' C' ' 9' ' ' VAL . 0.1 OUTLIER -82.58 102.57 11.5 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.244 -179.782 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 61.2 t -105.68 131.17 55.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.041 -0.527 . . . . 10.0 111.203 -179.193 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 82' ' ' PHE . . . . . 0.403 ' HB2' ' HB2' ' C' ' 89' ' ' SER . 37.7 p90 -139.53 155.68 47.37 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.118 179.05 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 83' ' ' ALA . . . . . 0.449 ' HB1' ' OD1' ' C' ' 85' ' ' ASN . . . -89.61 127.95 35.98 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.353 -0.61 . . . . 10.0 109.353 179.491 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 84' ' ' ILE . . . . . 0.597 HD11 ' HA ' ' C' ' 118' ' ' CYS . 31.3 pt -67.43 -12.07 14.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 112.149 0.426 . . . . 10.0 112.149 -179.403 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 85' ' ' ASN . . . . . 0.449 ' OD1' ' HB1' ' C' ' 83' ' ' ALA . 5.2 p-10 -92.98 -3.85 53.71 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.839 -0.619 . . . . 10.0 110.674 179.426 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -128.44 106.13 8.78 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.116 0.484 . . . . 10.0 111.273 -179.586 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.98 -26.85 68.47 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.787 -0.642 . . . . 10.0 110.766 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 24.4 tptp -59.92 -46.72 88.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.641 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 89' ' ' SER . . . . . 0.474 ' HA ' ' HB2' ' C' ' 92' ' ' ASP . 0.2 OUTLIER -67.43 -25.36 65.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.469 -0.332 . . . . 10.0 111.689 179.774 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -66.19 -44.13 84.83 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.727 -0.471 . . . . 10.0 109.727 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -73.11 -31.08 64.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.815 -0.63 . . . . 10.0 110.374 178.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 92' ' ' ASP . . . . . 0.474 ' HB2' ' HA ' ' C' ' 89' ' ' SER . 0.3 OUTLIER -56.39 -38.88 72.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.459 -0.792 . . . . 10.0 110.232 179.539 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 93' ' ' ILE . . . . . 0.43 HG12 ' O ' ' C' ' 89' ' ' SER . 42.0 mm -57.13 -39.98 70.31 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 CA-C-N 115.719 -0.673 . . . . 10.0 111.44 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -60.31 -45.3 93.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.081 -0.509 . . . . 10.0 111.014 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 38.9 m-70 -64.0 -38.34 90.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.69 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -64.65 -43.95 92.0 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.286 179.472 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 29.1 ttt-85 -58.0 -43.05 86.43 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.325 -0.398 . . . . 10.0 111.154 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -63.85 -41.62 97.77 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.936 -0.575 . . . . 10.0 111.807 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 99' ' ' GLN . . . . . 0.475 ' O ' HG23 ' C' ' 103' ' ' VAL . 63.8 tt0 -67.97 -45.09 75.16 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 121.078 -0.249 . . . . 10.0 111.138 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 94.6 mt -54.75 -47.73 73.66 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 CA-C-O 120.671 0.272 . . . . 10.0 111.154 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 17.9 mtmt -64.69 -30.48 71.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.992 0.425 . . . . 10.0 111.671 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 4.3 ttm180 -74.15 -44.46 53.49 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.701 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 103' ' ' VAL . . . . . 0.662 HG12 ' HG3' ' C' ' 73' ' ' ARG . 61.5 t -68.73 -44.45 82.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.926 -0.579 . . . . 10.0 111.901 -178.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -85.58 -10.9 55.22 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.828 0.307 . . . . 10.0 111.828 -179.17 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 14.8 t70 54.1 53.28 11.32 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.5 0.666 . . . . 10.0 111.487 -179.476 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 64.4 m -155.84 129.49 8.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.393 -0.821 . . . . 10.0 109.731 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 32.3 tp10 -76.33 -25.44 54.73 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.148 0.499 . . . . 10.0 110.294 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -103.48 97.67 7.69 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.161 -0.472 . . . . 10.0 111.184 -179.709 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 58.2 t -123.39 125.82 26.02 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 115.767 -0.651 . . . . 10.0 109.824 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_endo -57.78 105.99 0.23 Allowed 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.944 2.429 . . . . 10.0 112.147 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 111' ' ' MET . . . . . 0.643 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 50.6 mtm -138.66 156.15 47.67 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.414 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 112' ' ' VAL . . . . . 0.402 ' HB ' HD12 ' C' ' 79' ' ' LEU . 92.1 t -133.74 128.73 54.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.866 -0.606 . . . . 10.0 109.373 179.587 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 113' ' ' LEU . . . . . 0.407 ' O ' ' HA ' ' C' ' 141' ' ' PHE . 15.0 tp -84.79 118.1 24.25 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.477 -0.564 . . . . 10.0 109.477 179.537 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 82.9 t -121.82 126.6 74.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.232 0.539 . . . . 10.0 111.818 -178.459 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -103.41 129.08 9.74 Favored Glycine 0 N--CA 1.441 -0.994 0 N-CA-C 109.586 -1.405 . . . . 10.0 109.586 178.175 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -110.39 165.03 12.11 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 117.084 0.442 . . . . 10.0 111.638 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 95.9 mttt 69.35 34.91 2.76 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.322 -0.854 . . . . 10.0 112.281 179.615 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 118' ' ' CYS . . . . . 0.597 ' HA ' HD11 ' C' ' 84' ' ' ILE . 64.6 m -71.57 -11.31 60.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 10.0 111.541 179.563 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -76.46 -34.17 58.71 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.119 0.485 . . . . 10.0 109.806 179.065 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 120' ' ' LEU . . . . . 0.47 ' HA ' ' HD3' ' C' ' 121' ' ' PRO . 91.7 mt -67.88 134.72 92.05 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 115.678 -0.692 . . . . 10.0 111.487 -179.333 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 121' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' C' ' 120' ' ' LEU . 8.6 Cg_exo -73.49 172.4 15.78 Favored 'Trans proline' 0 C--O 1.237 0.473 0 C-N-CA 123.423 2.748 . . . . 10.0 111.889 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 5.7 m 59.25 57.06 3.57 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.724 -0.671 . . . . 10.0 111.497 -179.439 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 123' ' ' ARG . . . . . 0.448 HH11 ' HD3' ' C' ' 123' ' ' ARG . 0.0 OUTLIER -68.27 124.76 24.37 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.917 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -78.25 -38.69 42.25 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.142 0.496 . . . . 10.0 110.117 179.461 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 48.0 t -101.29 122.21 53.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.421 179.298 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -86.26 162.1 18.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.838 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 1.5 m -62.93 -42.21 99.73 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.047 -0.524 . . . . 10.0 111.716 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 128' ' ' LYS . . . . . 0.46 ' HB2' ' HA ' ' B' ' 47' ' ' ASP . 11.7 pttp -54.11 -57.87 9.46 Favored 'General case' 0 C--N 1.334 -0.099 0 N-CA-C 113.149 0.796 . . . . 10.0 113.149 -178.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -59.24 -36.68 75.9 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.729 0.64 . . . . 10.0 112.729 -178.474 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -75.66 -38.5 58.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.063 0.459 . . . . 10.0 111.175 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -71.44 -45.82 61.65 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.117 -0.492 . . . . 10.0 112.015 -179.555 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 132' ' ' ASP . . . . . 0.554 ' HA ' ' HD2' ' B' ' 161' ' ' ARG . 31.9 t0 -62.94 -33.88 76.29 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.99 0.424 . . . . 10.0 110.444 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 27.1 tp -64.36 -47.48 79.14 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.891 -0.781 . . . . 10.0 108.891 178.622 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 134' ' ' ALA . . . . . 0.442 ' HB1' HG13 ' C' ' 139' ' ' ILE . . . -64.79 -37.79 88.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.34 -0.845 . . . . 10.0 110.415 178.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 135' ' ' ARG . . . . . 0.487 ' HG3' ' HG2' ' B' ' 161' ' ' ARG . 5.9 tmm_? -62.67 -47.13 85.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.689 -0.687 . . . . 10.0 110.229 179.201 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 21.9 m -61.46 -35.47 77.7 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.77 -0.65 . . . . 10.0 112.003 -179.425 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 20.5 m-30 -84.8 -32.52 23.3 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 111.994 0.368 . . . . 10.0 111.994 -178.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 104.2 37.83 2.8 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.703 -0.761 . . . . 10.0 113.297 179.251 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 139' ' ' ILE . . . . . 0.442 HG13 ' HB1' ' C' ' 134' ' ' ALA . 11.9 pt -133.67 157.36 78.12 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 122.565 -0.373 . . . . 10.0 110.5 179.399 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -84.0 152.09 12.67 Favored 'Trans proline' 0 N--CA 1.462 -0.376 0 C-N-CA 122.424 2.083 . . . . 10.0 112.13 179.584 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 141' ' ' PHE . . . . . 0.407 ' HA ' ' O ' ' C' ' 113' ' ' LEU . 73.7 t80 -124.39 133.79 53.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.143 -0.481 . . . . 10.0 110.099 179.384 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 142' ' ' ILE . . . . . 0.478 HD12 ' HA ' ' C' ' 155' ' ' ALA . 60.1 mt -131.08 126.92 60.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.762 0.315 . . . . 10.0 111.248 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -86.78 123.36 31.84 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.517 -0.92 . . . . 10.0 108.517 178.09 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 144' ' ' THR . . . . . 0.413 HG23 HG22 ' C' ' 142' ' ' ILE . 26.7 p -138.15 177.57 7.78 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.885 0.85 . . . . 10.0 112.288 -178.613 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.21 122.66 3.32 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.729 -1.123 . . . . 10.0 108.033 178.442 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -64.58 -26.12 68.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.916 0.388 . . . . 10.0 111.096 -179.148 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 5.0 mtpt -61.16 -50.22 74.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.795 -0.639 . . . . 10.0 111.042 179.329 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -86.65 -22.84 25.91 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.204 -179.566 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 65.07 14.21 9.21 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.517 0.675 . . . . 10.0 111.979 -179.307 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -82.92 124.03 29.97 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.374 -0.83 . . . . 10.0 110.861 -179.521 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 85.01 -13.27 55.14 Favored Glycine 0 C--N 1.33 0.211 0 CA-C-N 116.116 -0.493 . . . . 10.0 113.427 178.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 46.7 t -60.56 -33.91 56.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.042 0.449 . . . . 10.0 110.806 -179.505 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -66.48 -53.11 38.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.981 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -65.44 -25.83 67.69 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 112.552 0.575 . . . . 10.0 112.552 -178.614 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 155' ' ' ALA . . . . . 0.478 ' HA ' HD12 ' C' ' 142' ' ' ILE . . . -60.86 -44.72 96.63 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.23 0.538 . . . . 10.0 109.566 178.726 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -75.69 -32.71 60.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.552 179.415 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 21.7 m-30 -68.4 -43.31 77.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.321 -0.4 . . . . 10.0 110.802 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 92.8 m -65.29 -30.79 71.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 10.0 111.382 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 159' ' ' LEU . . . . . 0.612 HD22 ' HB2' ' C' ' 79' ' ' LEU . 34.5 tp -62.91 -40.28 97.1 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.485 -0.561 . . . . 10.0 109.485 178.659 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 39.6 t -69.33 -36.51 72.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.639 -0.709 . . . . 10.0 109.137 178.52 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 -60.65 -42.28 96.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.156 -0.929 . . . . 10.0 111.041 179.258 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -64.05 -38.76 92.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.539 -0.3 . . . . 10.0 110.594 179.623 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 73.6 mt -63.27 -49.02 84.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 CA-C-N 116.253 -0.43 . . . . 10.0 109.904 179.53 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 164' ' ' ARG . . . . . 0.687 HH12 ' HB2' ' C' ' 47' ' ' ASP . 18.8 ttm180 -63.69 -31.76 73.04 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.302 179.681 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 25.6 ttmt -66.06 -52.17 51.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.958 -0.565 . . . . 10.0 109.916 178.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 -58.82 -52.11 67.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.744 -0.662 . . . . 10.0 111.434 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -55.88 -40.78 73.47 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.3 0.481 . . . . 10.0 112.3 -179.395 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -72.61 -47.36 48.47 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.873 0.368 . . . . 10.0 111.185 -179.61 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 169' ' ' LYS . . . . . 0.449 ' HB3' ' HE2' ' C' ' 169' ' ' LYS . 12.7 mtpt -63.44 -29.47 70.75 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.492 0.552 . . . . 10.0 112.492 -178.68 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 73.3 mmm -71.47 -23.08 61.76 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.764 0.316 . . . . 10.0 111.583 179.261 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 4.4 m -68.98 -13.28 62.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.966 0.413 . . . . 10.0 111.521 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.31 20.75 7.39 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.073 179.243 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 173' ' ' ASP . . . . . . . . . . . . . 14.9 t70 68.97 -72.14 0.11 Allowed 'General case' 0 N--CA 1.467 0.403 0 O-C-N 123.88 0.738 . . . . 10.0 110.647 -178.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . -140.08 -78.76 0.06 OUTLIER Glycine 0 N--CA 1.442 -0.96 0 N-CA-C 109.57 -1.412 . . . . 10.0 109.57 179.008 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 175' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -107.16 -83.59 0.53 Allowed 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.85 -0.426 . . . . 10.0 109.85 178.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 176' ' ' LYS . . . . . 0.516 ' HZ3' ' C3 ' ' C' ' 214' ' ' 17F . 97.4 mttt 51.19 34.52 11.43 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.409 0.522 . . . . 10.0 112.409 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 177' ' ' LYS . . . . . . . . . . . . . 29.7 ttmt -113.4 -109.52 0.36 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.373 -0.376 . . . . 10.0 110.448 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 178' ' ' LYS . . . . . 0.468 ' HG3' ' OG ' ' C' ' 181' ' ' SER . 25.6 tptp 49.46 59.29 4.6 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.356 0.598 . . . . 10.0 110.625 -179.685 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 179' ' ' LYS . . . . . 0.402 ' HB3' ' HE3' ' C' ' 179' ' ' LYS . 28.8 mtpp -66.01 -55.39 16.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.643 -0.708 . . . . 10.0 111.758 -178.624 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 180' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -72.72 92.4 1.55 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.972 -0.558 . . . . 10.0 111.004 -179.463 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 181' ' ' SER . . . . . 0.468 ' OG ' ' HG3' ' C' ' 178' ' ' LYS . 17.8 m -140.69 168.82 18.89 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.17 -0.468 . . . . 10.0 111.209 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 182' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -121.62 79.72 1.59 Allowed 'General case' 0 CA--C 1.533 0.295 0 CA-C-O 121.228 0.537 . . . . 10.0 110.143 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 183' ' ' THR . . . . . 0.46 ' O ' ' H2 ' ' C' ' 207' ' ' PCW . 0.1 OUTLIER -82.04 76.82 8.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.933 -0.576 . . . . 10.0 112.17 -178.906 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 184' ' ' LYS . . . . . 0.496 ' HG2' ' O31' ' C' ' 207' ' ' PCW . 52.5 mttm . . . . . 0 C--N 1.326 -0.416 0 N-CA-C 111.838 0.31 . . . . 10.0 111.838 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 401' ' ' PCW . . . . . 1.039 H482 H461 ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 402' ' ' PCW . . . . . 1.034 H411 H361 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 403' ' ' PCW . . . . . 1.208 ' C31' H362 ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 404' ' ' PCW . . . . . 1.093 H281 H472 ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 405' ' ' PCW . . . . . 1.076 H281 H221 ' A' ' 418' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 406' ' ' PCW . . . . . 1.034 H432 H12A ' B' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 407' ' ' PCW . . . . . 1.049 H212 ' C17' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 408' ' ' PCW . . . . . 1.119 H242 H231 ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 409' ' ' PCW . . . . . 1.23 ' C19' H142 ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 410' ' ' PCW . . . . . 1.009 H371 ' H63' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 411' ' ' PCW . . . . . 1.119 H231 H242 ' A' ' 408' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 412' ' ' PCW . . . . . 0.885 ' H11' ' O3P' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 413' ' ' PCW . . . . . 0.945 ' C26' H181 ' A' ' 408' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 414' ' ' PCW . . . . . 1.053 H272 H441 ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 415' ' ' 17F . . . . . 1.002 ' H57' ' C34' ' A' ' 414' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 416' ' ' 17F . . . . . 1.012 ' H64' H283 ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 417' ' ' PCW . . . . . 1.107 H141 H341 ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 418' ' ' PCW . . . . . 1.076 H221 H281 ' A' ' 405' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 419' ' ' PCW . . . . . 1.014 ' H40' ' C44' ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 420' ' ' PCW . . . . . 1.107 H341 H141 ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 421' ' ' PCW . . . . . 1.036 H381 H151 ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 422' ' ' 17F . . . . . 1.026 ' H4A' H141 ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 601' ' ' PCW . . . . . 1.016 H421 H461 ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 602' ' ' PCW . . . . . 1.111 H172 H212 ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 603' ' ' PCW . . . . . 1.081 ' H41' ' H2 ' ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 604' ' ' PCW . . . . . 0.936 ' H41' ' H31' ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 605' ' ' PCW . . . . . 1.064 ' O1P' ' H52' ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 606' ' ' PCW . . . . . 1.066 H161 H11A ' C' ' 218' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 607' ' ' PCW . . . . . 1.025 ' H31' H372 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 608' ' ' PCW . . . . . 1.124 H461 ' H61' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 609' ' ' PCW . . . . . 0.997 H483 H472 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 610' ' ' PCW . . . . . 0.956 H283 ' H68' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 611' ' ' PCW . . . . . 1.079 H462 H261 ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 612' ' ' PCW . . . . . 1.039 H461 H482 ' A' ' 401' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 613' ' ' PCW . . . . . 1.083 ' C17' H212 ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 614' ' ' PCW . . . . . 1.064 ' H52' ' O1P' ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 615' ' ' PCW . . . . . 0.961 H461 H421 ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 616' ' ' PCW . . . . . 1.087 H451 ' H54' ' C' ' 214' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 617' ' ' PCW . . . . . 1.021 H483 H221 ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 618' ' ' PCW . . . . . 1.039 H412 ' C36' ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 619' ' ' PCW . . . . . 1.114 H322 H152 ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 620' ' ' PCW . . . . . 0.933 H441 H482 ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 621' ' ' PCW . . . . . 1.065 H372 H412 ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 622' ' ' PCW . . . . . 1.063 H171 ' H5 ' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 623' ' ' PCW . . . . . 1.106 H322 ' C36' ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 624' ' ' PCW . . . . . 1.016 H481 ' H55' ' B' ' 209' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 625' ' ' PCW . . . . . 1.023 H412 ' C41' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 626' ' ' PCW . . . . . 1.025 H372 ' H31' ' D' ' 607' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 627' ' ' PCW . . . . . 1.114 H152 H322 ' D' ' 619' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 628' ' ' 17F . . . . . 1.124 ' H61' H461 ' D' ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 629' ' ' 17F . . . . . 0.954 ' H46' ' C19' ' D' ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 630' ' ' 17F . . . . . 0.976 ' H9 ' H122 ' A' ' 421' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 631' ' ' 17F . . . . . 1.063 ' H5 ' H171 ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 632' ' ' 17F . . . . . 1.002 ' C17' H121 ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 201' ' ' GSP . . . . . 1.017 H5'2 ' HD1' ' B' ' 32' ' ' TYR . . . . . . . . 0 O4'--C1' 1.438 2.04 2 O4'-C1'-N19 113.258 5.058 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 202' ' ' ' MG' . . . . . 0.603 'MG ' ' O3G' ' B' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 203' ' ' PCW . . . . . 0.998 H472 H251 ' C' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 204' ' ' PCW . . . . . 1.012 H283 ' H64' ' A' ' 416' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 205' ' ' PCW . . . . . 1.078 H482 ' H19' ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 206' ' ' PCW . . . . . 1.038 H152 H261 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 207' ' ' PCW . . . . . 1.023 ' H41' ' H31' ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 208' ' ' PCW . . . . . 1.079 H261 H462 ' D' ' 611' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 209' ' ' 17F . . . . . 1.016 ' H55' H481 ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 210' ' ' 17F . . . . . 1.145 ' C12' ' H41' ' B' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 211' ' ' 17F . . . . . 1.034 H12A H432 ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 201' ' ' GSP . . . . . 0.721 H5'2 ' CD1' ' C' ' 32' ' ' TYR . . . . . . . . 0 O4'--C1' 1.438 1.988 2 O4'-C1'-N19 113.304 5.104 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 202' ' ' ' MG' . . . . . 0.628 'MG ' ' O3G' ' C' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 203' ' ' PCW . . . . . 1.037 H132 H171 ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 204' ' ' PCW . . . . . 1.01 H472 H451 ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 205' ' ' PCW . . . . . 1.038 H261 H152 ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 206' ' ' PCW . . . . . 1.038 H232 H431 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 207' ' ' PCW . . . . . 0.992 ' H61' ' H12' ' A' ' 410' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 208' ' ' PCW . . . . . 1.04 H251 H221 ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 209' ' ' PCW . . . . . 1.082 ' O11' ' H51' ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 210' ' ' PCW . . . . . 1.044 ' O31' H352 ' C' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 211' ' ' PCW . . . . . 1.031 ' H51' ' H12' ' C' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 212' ' ' PCW . . . . . 1.002 H241 ' H20' ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 213' ' ' 17F . . . . . 0.986 ' H77' ' H49' ' C' ' 219' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 214' ' ' 17F . . . . . 1.087 ' H54' H451 ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 215' ' ' 17F . . . . . 0.805 ' C31' ' H2 ' ' C' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 216' ' ' PCW . . . . . 1.08 H172 H162 ' C' ' 217' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 217' ' ' PCW . . . . . 1.08 H162 H172 ' C' ' 216' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 218' ' ' 17F . . . . . 1.066 H11A H161 ' D' ' 606' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 219' ' ' 17F . . . . . 1.05 ' H34' H172 ' C' ' 217' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 77.3 mt . . . . . 0 C--O 1.233 0.202 0 CA-C-O 120.931 0.396 . . . . 10.0 110.796 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -61.71 -44.86 96.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.524 -0.762 . . . . 10.0 111.254 -179.257 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 78.9 mt -64.74 -44.84 88.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.189 -0.46 . . . . 10.0 111.163 -179.43 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 29.9 mt -65.74 -36.42 83.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.984 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -66.01 -51.19 60.53 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.867 -0.606 . . . . 10.0 111.08 -179.529 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 206' ' ' ASN . . . . . 0.411 ' O ' HG23 ' A' ' 210' ' ' VAL . 7.6 m120 -67.32 -34.32 77.1 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.438 -0.346 . . . . 10.0 111.353 179.762 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 54.0 t90 -60.77 -31.43 70.79 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.808 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -64.82 -41.12 96.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.26 -0.427 . . . . 10.0 109.857 179.299 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 1.3 m -67.18 -34.62 77.91 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.324 0.583 . . . . 10.0 109.996 179.018 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 210' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 206' ' ' ASN . 84.0 t -68.42 -45.18 82.63 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 N-CA-C 109.172 -0.677 . . . . 10.0 109.172 178.788 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 41.2 m -64.18 -42.23 96.79 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.684 -0.689 . . . . 10.0 111.758 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 2.0 p -62.47 -36.4 82.37 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.928 -0.397 . . . . 10.0 109.928 178.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 213' ' ' THR . . . . . 0.433 ' O ' ' HG ' ' A' ' 217' ' ' LEU . 47.1 m -65.88 -39.5 90.73 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.873 -0.788 . . . . 10.0 108.873 178.098 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 214' ' ' PHE . . . . . 0.512 ' HA ' HD12 ' A' ' 217' ' ' LEU . 6.1 m-85 -63.62 -38.56 91.6 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.539 178.735 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 215' ' ' SER . . . . . 0.424 ' O ' ' HG3' ' A' ' 219' ' ' GLU . 15.2 m -65.2 -45.54 84.36 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 109.426 -0.583 . . . . 10.0 109.426 178.383 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 39.0 mmtt -61.77 -33.87 74.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.733 -0.667 . . . . 10.0 110.094 179.162 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 217' ' ' LEU . . . . . 0.805 HD21 H252 ' A' ' 405' ' ' PCW . 66.5 mt -63.39 -43.42 97.62 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.713 -0.676 . . . . 10.0 110.038 179.089 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -66.41 -40.39 89.57 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.445 -0.343 . . . . 10.0 111.102 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 219' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' A' ' 215' ' ' SER . 81.3 mt-10 -65.16 -18.09 65.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.767 -0.651 . . . . 10.0 110.823 179.566 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -98.4 -40.58 8.22 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.122 -0.695 . . . . 10.0 109.122 178.218 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 33.9 mt -55.87 -37.27 68.57 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.727 -0.67 . . . . 10.0 111.528 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -54.04 -68.89 1.42 Allowed Glycine 0 C--N 1.335 0.477 0 N-CA-C 110.461 -1.056 . . . . 10.0 110.461 178.586 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -53.09 -39.2 80.7 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.79 2.327 . . . . 10.0 110.804 177.724 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 24.4 t -57.59 -51.68 66.95 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.247 0 CA-C-N 116.398 -0.364 . . . . 10.0 111.268 179.464 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 3.2 p -61.77 -29.91 70.45 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.562 -0.455 . . . . 10.0 111.498 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -70.42 -50.09 42.07 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.495 -0.557 . . . . 10.0 109.495 179.189 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -66.26 -38.33 87.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.121 179.528 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 228' ' ' PHE . . . . . 0.4 ' O ' ' HG ' ' A' ' 232' ' ' LEU . 9.6 t80 -65.33 -45.72 83.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.332 179.436 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -66.28 -33.04 74.83 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 116.301 -0.409 . . . . 10.0 110.436 179.39 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -62.33 -45.52 92.83 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.424 -0.584 . . . . 10.0 109.424 178.533 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -67.12 -43.31 82.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.708 -0.678 . . . . 10.0 109.666 178.398 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 232' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 228' ' ' PHE . 82.5 mt -59.91 -46.12 90.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.715 -0.675 . . . . 10.0 110.693 179.343 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -60.19 -36.02 76.69 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 115.852 -0.613 . . . . 10.0 111.113 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -72.59 -38.34 67.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.101 0.477 . . . . 10.0 109.834 178.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -68.75 -47.85 65.22 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.164 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 13.3 p -65.68 -33.45 75.92 Favored 'General case' 0 CA--C 1.521 -0.144 0 N-CA-C 109.641 -0.503 . . . . 10.0 109.641 179.464 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 237' ' ' GLU . . . . . 0.551 ' HA ' ' HD2' ' A' ' 240' ' ' ARG . 27.2 tt0 -59.22 -42.85 91.95 Favored 'General case' 0 CA--C 1.52 -0.19 0 N-CA-C 108.727 -0.842 . . . . 10.0 108.727 178.116 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 238' ' ' GLY . . . . . 0.444 ' O ' ' HG3' ' A' ' 242' ' ' GLU . . . -61.95 -44.83 97.27 Favored Glycine 0 N--CA 1.442 -0.965 0 N-CA-C 110.12 -1.192 . . . . 10.0 110.12 178.234 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 96.4 mt -61.38 -37.15 82.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.0 0.428 . . . . 10.0 110.711 179.019 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 240' ' ' ARG . . . . . 0.551 ' HD2' ' HA ' ' A' ' 237' ' ' GLU . 73.8 mtt180 -64.89 -41.86 95.27 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.962 -0.563 . . . . 10.0 109.714 178.667 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -72.7 -43.67 62.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.681 -0.69 . . . . 10.0 109.909 179.215 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 242' ' ' GLU . . . . . 0.444 ' HG3' ' O ' ' A' ' 238' ' ' GLY . 26.9 mt-10 -67.78 -17.02 64.39 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 116.046 -0.524 . . . . 10.0 110.79 179.185 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 243' ' ' MET . . . . . 0.676 ' HG3' HD12 ' A' ' 247' ' ' LEU . 36.9 ttm -64.76 -29.77 70.75 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.783 -0.821 . . . . 10.0 108.783 178.518 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 11.1 m -80.74 7.62 9.91 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.422 -0.808 . . . . 10.0 110.028 178.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 245' ' ' LYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 249' ' ' GLU . 90.4 mttt -125.1 -60.18 1.36 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.628 -0.715 . . . . 10.0 109.435 179.043 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 246' ' ' ASP . . . . . 0.533 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 0.2 OUTLIER -58.82 -64.06 1.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.768 -0.651 . . . . 10.0 110.741 179.808 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 247' ' ' LEU . . . . . 0.676 HD12 ' HG3' ' A' ' 243' ' ' MET . 34.0 mt -69.96 -27.77 65.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.08 -0.509 . . . . 10.0 112.198 -178.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -73.03 -54.32 8.87 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 120.645 -0.422 . . . . 10.0 111.067 179.476 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 249' ' ' GLU . . . . . 0.406 ' HB2' ' O ' ' A' ' 245' ' ' LYS . 4.2 mt-10 -65.9 -34.73 78.79 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.8 -0.182 . . . . 10.0 110.986 179.672 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 250' ' ' VAL . . . . . 0.827 HG21 H271 ' A' ' 412' ' ' PCW . 0.9 OUTLIER -64.59 -28.49 44.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 C-N-CA 120.905 -0.318 . . . . 10.0 111.531 179.894 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 251' ' ' LYS . . . . . 0.527 ' HA ' ' HB ' ' A' ' 254' ' ' VAL . 87.2 mttt -97.18 -29.67 13.45 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.873 0.368 . . . . 10.0 111.319 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -71.26 -37.68 71.91 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.792 -0.818 . . . . 10.0 108.792 178.26 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -88.48 -14.11 38.66 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.322 -0.854 . . . . 10.0 110.16 178.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 254' ' ' VAL . . . . . 0.628 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.3 OUTLIER -62.79 -31.65 53.04 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.148 0 C-N-CA 121.003 -0.279 . . . . 10.0 110.722 179.685 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 255' ' ' GLN . . . . . 0.465 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 55.8 mt-30 -60.9 -61.81 7.24 Favored Pre-proline 0 N--CA 1.45 -0.427 0 CA-C-N 116.255 -0.43 . . . . 10.0 111.112 179.642 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 256' ' ' PRO . . . . . 0.465 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 37.6 Cg_endo -67.34 -33.17 30.93 Favored 'Trans proline' 0 C--N 1.354 0.844 0 C-N-CA 121.439 1.426 . . . . 10.0 112.156 179.132 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 5.4 m-30 -64.01 -55.36 22.91 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 120.798 0.332 . . . . 10.0 110.86 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 258' ' ' LEU . . . . . 0.436 ' HG ' HG22 ' A' ' 254' ' ' VAL . 43.7 mt -66.2 -40.21 90.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.308 -0.406 . . . . 10.0 110.705 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -59.23 -40.73 86.82 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.476 179.549 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -63.91 -55.32 23.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.483 179.478 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -58.23 -43.93 87.99 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.838 -0.619 . . . . 10.0 110.799 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -64.42 -41.72 96.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.085 -0.507 . . . . 10.0 111.271 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 263' ' ' LYS . . . . . 0.461 ' HB2' ' HE3' ' A' ' 263' ' ' LYS . 10.7 ttmt -59.82 -47.42 85.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.17 0.51 . . . . 10.0 110.259 179.717 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 264' ' ' LYS . . . . . 0.451 ' O ' ' HG3' ' A' ' 268' ' ' GLU . 77.0 mttt -70.15 -38.46 75.48 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.614 -0.721 . . . . 10.0 110.684 179.681 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 2.1 m95 -60.2 -42.06 94.28 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.363 178.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -59.41 -46.36 88.92 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.012 -0.54 . . . . 10.0 109.833 178.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 267' ' ' GLU . . . . . 0.418 ' O ' ' HG ' ' A' ' 271' ' ' LEU . 17.9 mt-10 -63.01 -43.3 99.16 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.056 179.047 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 268' ' ' GLU . . . . . 0.535 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 28.3 mt-10 -60.27 -44.51 95.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.774 -0.648 . . . . 10.0 110.408 178.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 95.5 mmm -67.12 -37.96 84.77 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.189 -0.459 . . . . 10.0 110.023 179.248 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -63.12 -49.85 72.79 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 116.036 -0.529 . . . . 10.0 109.641 179.09 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 271' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 267' ' ' GLU . 93.1 mt -61.72 -39.62 92.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.351 179.563 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 272' ' ' TYR . . . . . 0.546 ' O ' ' HB ' ' A' ' 276' ' ' VAL . 0.6 OUTLIER -62.02 -44.89 95.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.423 179.041 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 273' ' ' ARG . . . . . 0.458 ' O ' HG12 ' A' ' 276' ' ' VAL . 32.4 ttm180 -74.35 -33.34 63.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.204 -0.453 . . . . 10.0 111.24 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -65.61 -44.41 86.61 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.765 -0.457 . . . . 10.0 109.765 179.095 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 275' ' ' LYS . . . . . 0.7 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 8.2 mptt -78.3 -27.13 47.25 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.857 -0.61 . . . . 10.0 111.446 179.284 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 276' ' ' VAL . . . . . 0.546 ' HB ' ' O ' ' A' ' 272' ' ' TYR . 0.3 OUTLIER -59.89 -26.95 37.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 N-CA-C 111.836 0.31 . . . . 10.0 111.836 -179.8 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -64.84 -63.84 3.26 Favored Pre-proline 0 CA--C 1.533 0.298 0 C-N-CA 120.941 -0.304 . . . . 10.0 111.162 178.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -61.11 -35.97 83.76 Favored 'Trans proline' 0 C--N 1.356 0.936 0 C-N-CA 121.642 1.561 . . . . 10.0 111.257 178.587 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 279' ' ' LEU . . . . . 1.024 HD22 ' HE3' ' D' ' 495' ' ' LYS . 10.9 mt -61.92 -43.62 98.47 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.638 0.256 . . . . 10.0 110.55 179.509 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -66.24 -36.94 84.34 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.669 -0.493 . . . . 10.0 109.669 178.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -64.29 -43.35 95.02 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.866 -0.606 . . . . 10.0 109.705 178.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.66 -43.83 88.17 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.109 0.48 . . . . 10.0 109.946 178.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 17.1 mt -63.54 -39.49 94.55 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.464 179.237 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -70.02 -48.37 58.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.656 179.43 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -60.47 -41.94 95.21 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.179 0.514 . . . . 10.0 109.936 179.287 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -68.62 -49.1 45.95 Favored Glycine 0 N--CA 1.44 -1.049 0 CA-C-N 115.263 -0.88 . . . . 10.0 110.999 178.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -55.08 -48.45 73.52 Favored 'General case' 0 C--O 1.223 -0.292 0 O-C-N 123.515 0.186 . . . . 10.0 110.986 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 12.2 mtt85 -55.89 -50.67 70.02 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 123.381 0.426 . . . . 10.0 111.463 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -66.34 -43.46 86.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.769 0.319 . . . . 10.0 111.084 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 290' ' ' LYS . . . . . 0.437 ' O ' ' HG ' ' A' ' 294' ' ' LEU . 74.4 mttt -61.94 -42.88 99.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.296 -0.411 . . . . 10.0 110.358 179.492 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 291' ' ' LEU . . . . . 0.442 HD23 HD12 ' A' ' 294' ' ' LEU . 82.0 mt -66.75 -35.05 79.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 10.0 109.966 178.474 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 6.9 m170 -62.88 -47.09 84.83 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 108.696 -0.853 . . . . 10.0 108.696 178.246 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -60.55 -39.81 89.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.05 -0.977 . . . . 10.0 109.115 178.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 294' ' ' LEU . . . . . 0.442 HD12 HD23 ' A' ' 291' ' ' LEU . 64.6 mt -64.7 -44.98 88.52 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 115.696 -0.684 . . . . 10.0 110.782 179.026 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 295' ' ' GLN . . . . . 0.431 ' HA ' ' HB2' ' A' ' 298' ' ' LEU . 79.1 mt-30 -61.71 -40.42 94.99 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 120.834 0.35 . . . . 10.0 111.032 179.631 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -62.97 -13.59 36.86 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.064 -0.516 . . . . 10.0 111.03 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 297' ' ' LYS . . . . . 0.427 ' HA ' ' HD3' ' A' ' 297' ' ' LYS . 12.3 mmtp -119.18 11.24 12.29 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.114 178.49 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 298' ' ' LEU . . . . . 0.431 ' HB2' ' HA ' ' A' ' 295' ' ' GLN . 12.5 mt -116.6 -37.1 3.76 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.005 -0.543 . . . . 10.0 111.113 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 299' ' ' SER . . . . . 0.484 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 0.8 OUTLIER -73.82 -62.86 1.02 Allowed Pre-proline 0 CA--C 1.539 0.529 0 N-CA-C 111.816 0.302 . . . . 10.0 111.816 179.516 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 300' ' ' PRO . . . . . 0.484 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 34.4 Cg_endo -65.8 -45.08 6.88 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 121.788 1.659 . . . . 10.0 111.575 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 301' ' ' LEU . . . . . 0.586 ' HB3' ' HE2' ' D' ' 473' ' ' LYS . 34.5 mt -68.72 -26.28 65.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.047 179.139 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -70.22 -46.34 50.72 Favored Glycine 0 N--CA 1.446 -0.662 0 N-CA-C 110.157 -1.177 . . . . 10.0 110.157 178.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -66.57 -35.46 80.26 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 109.811 -0.44 . . . . 10.0 109.811 178.417 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -60.77 -47.44 86.3 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 108.314 -0.995 . . . . 10.0 108.314 177.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 6.3 tpt -62.45 -38.08 88.39 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 115.394 -0.821 . . . . 10.0 109.864 179.136 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -64.08 -44.19 93.12 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.99 -0.55 . . . . 10.0 111.539 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 307' ' ' ASP . . . . . 0.758 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 12.8 t70 -70.94 -36.71 72.72 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.187 0.517 . . . . 10.0 110.216 179.194 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 308' ' ' ARG . . . . . 0.545 ' HG3' HD11 ' D' ' 469' ' ' LEU . 19.5 mmt180 -67.03 -31.88 72.71 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 108.999 -0.741 . . . . 10.0 108.999 177.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 309' ' ' ALA . . . . . 0.441 ' HA ' ' HB2' ' A' ' 312' ' ' HIS . . . -68.48 -36.77 79.41 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 108.801 -0.814 . . . . 10.0 108.801 177.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 310' ' ' ARG . . . . . 0.758 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 92.2 mtt180 -57.72 -48.16 80.37 Favored 'General case' 0 C--O 1.222 -0.348 0 N-CA-C 108.704 -0.85 . . . . 10.0 108.704 178.044 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -69.35 -42.99 74.53 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.783 -0.644 . . . . 10.0 110.257 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 312' ' ' HIS . . . . . 0.441 ' HB2' ' HA ' ' A' ' 309' ' ' ALA . 0.1 OUTLIER -53.1 -52.98 56.87 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.38 179.184 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 74.7 t -73.06 -44.72 56.07 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.151 0 CA-C-N 115.683 -0.69 . . . . 10.0 111.988 -179.244 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -59.83 -46.46 89.17 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 121.12 -0.232 . . . . 10.0 111.247 -179.409 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -60.81 -37.3 81.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.098 0.475 . . . . 10.0 110.187 179.399 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 14.4 mt -69.43 -46.33 67.05 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.667 -0.697 . . . . 10.0 109.447 178.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 37.7 ttm105 -60.37 -40.71 91.8 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.445 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 56.1 m -59.68 -28.37 67.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.888 178.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 33.5 m80 -92.66 -40.28 10.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.507 179.298 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 95.1 mt -64.02 -31.91 73.27 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.075 -0.511 . . . . 10.0 111.758 -179.465 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -56.7 -60.26 9.88 Favored Pre-proline 0 CA--C 1.536 0.406 0 CA-C-N 116.669 -0.242 . . . . 10.0 111.415 179.458 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -67.48 -32.65 31.31 Favored 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 121.513 1.475 . . . . 10.0 110.839 177.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 323' ' ' TYR . . . . . 0.505 ' O ' ' HG ' ' A' ' 327' ' ' LEU . 11.7 m-30 -59.93 -47.76 84.49 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.706 -0.224 . . . . 10.0 111.085 179.36 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 11.0 p -65.59 -34.45 78.27 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.928 0.394 . . . . 10.0 110.721 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -68.92 -42.61 76.59 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 109.235 -0.654 . . . . 10.0 109.235 178.608 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -69.53 -28.91 66.42 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.289 -0.634 . . . . 10.0 109.289 178.458 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 327' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 323' ' ' TYR . 30.4 mt -66.45 -35.85 81.32 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.226 -0.657 . . . . 10.0 109.226 178.095 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -62.82 -37.9 88.58 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 108.752 -0.833 . . . . 10.0 108.752 178.287 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -67.77 -46.75 71.15 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.627 -0.715 . . . . 10.0 109.312 178.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 330' ' ' ARG . . . . . 0.498 ' NH2' ' HB3' ' D' ' 447' ' ' GLU . 46.4 mtt-85 -58.92 -49.6 77.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.317 -0.856 . . . . 10.0 110.281 179.268 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 90.8 mt -62.04 -38.49 88.94 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.646 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -64.05 -50.69 67.41 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.28 -0.418 . . . . 10.0 110.341 179.264 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -59.71 -40.01 86.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.682 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 52.8 mtt-85 -69.14 -46.14 68.35 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.378 179.219 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 335' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 335' ' ' LEU . 27.1 mt -63.84 -36.03 82.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.544 -0.298 . . . . 10.0 111.165 179.618 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -65.1 -40.72 94.98 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.159 0.504 . . . . 10.0 109.689 178.706 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 337' ' ' ALA . . . . . 0.401 ' O ' ' HB3' ' A' ' 341' ' ' ASN . . . -65.54 -45.74 82.26 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 108.795 -0.817 . . . . 10.0 108.795 178.466 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 338' ' ' LEU . . . . . 0.414 ' O ' ' HA3' ' A' ' 342' ' ' GLY . 97.1 mt -69.42 -10.67 58.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.726 -0.67 . . . . 10.0 111.146 179.38 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 69.8 tttt -92.27 -53.06 4.39 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -66.5 -53.78 31.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.962 -0.563 . . . . 10.0 109.833 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 341' ' ' ASN . . . . . 0.401 ' HB3' ' O ' ' A' ' 337' ' ' ALA . 8.0 t30 -67.76 -38.39 83.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.771 -0.649 . . . . 10.0 109.682 178.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 342' ' ' GLY . . . . . 0.414 ' HA3' ' O ' ' A' ' 338' ' ' LEU . . . -60.75 -43.53 99.03 Favored Glycine 0 C--N 1.332 0.357 0 CA-C-N 115.778 -0.646 . . . . 10.0 112.01 179.407 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -66.05 -38.4 94.01 Favored Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 111.152 -0.779 . . . . 10.0 111.152 179.224 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -65.36 -40.59 93.75 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.564 -0.532 . . . . 10.0 109.564 178.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 29.2 mtm180 -63.74 -45.49 89.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.648 -0.705 . . . . 10.0 110.336 179.182 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 52.1 mt -60.88 -44.45 97.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.242 -0.436 . . . . 10.0 110.407 179.367 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.91 -43.4 91.07 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.166 0.508 . . . . 10.0 109.975 178.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -67.15 -46.77 73.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.691 179.094 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -61.02 -39.97 91.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.993 -0.549 . . . . 10.0 111.253 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 10.8 m170 -63.3 -42.14 99.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.973 0.416 . . . . 10.0 109.903 178.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -67.15 -47.56 70.65 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.837 -0.62 . . . . 10.0 110.218 179.222 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 13.4 mttm -58.79 -47.27 85.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.923 -0.58 . . . . 10.0 109.863 179.173 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.62 -44.2 93.54 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.742 179.251 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 86.4 m -61.48 -43.83 98.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.068 179.195 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -64.87 -41.65 95.49 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.22 178.486 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 36.4 m-70 -63.4 -31.9 73.19 Favored 'General case' 0 CA--C 1.518 -0.255 0 N-CA-C 109.506 -0.553 . . . . 10.0 109.506 178.508 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 59.0 mt -71.32 -36.32 71.54 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.615 -0.721 . . . . 10.0 110.174 178.702 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 34.4 m -66.11 -41.12 91.0 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.672 -0.492 . . . . 10.0 109.672 178.595 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 1.5 m -75.33 -23.09 57.21 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.513 0.673 . . . . 10.0 109.512 178.088 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 50.9 tp -69.33 -28.91 66.66 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 108.421 -0.955 . . . . 10.0 108.421 177.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 20.3 m -64.73 -31.29 72.45 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.573 -0.74 . . . . 10.0 109.239 178.283 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 362' ' ' GLU . . . . . 0.407 ' C ' ' HD2' ' A' ' 366' ' ' PRO . 7.0 mm-40 -67.44 -15.92 63.94 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 115.65 -0.704 . . . . 10.0 109.797 178.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 363' ' ' LYS . . . . . 0.571 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 82.7 mttt -101.03 -39.99 7.45 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.502 -0.772 . . . . 10.0 109.209 178.102 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -71.35 -30.38 66.11 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.651 -0.704 . . . . 10.0 112.892 -179.144 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 365' ' ' LYS . . . . . 0.936 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 71.6 mttt -101.96 -71.75 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.526 0 N-CA-C 112.543 0.571 . . . . 10.0 112.543 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 366' ' ' PRO . . . . . 0.936 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 34.6 Cg_exo -61.07 -58.34 0.47 Allowed 'Trans proline' 0 C--N 1.356 0.947 0 C-N-CA 122.391 2.06 . . . . 10.0 112.899 -179.465 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 367' ' ' ALA . . . . . 0.571 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -57.57 -53.91 52.83 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.551 0.574 . . . . 10.0 112.551 -179.217 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 368' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 363' ' ' LYS . 20.4 mt -58.42 -37.28 75.05 Favored 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 112.217 0.451 . . . . 10.0 112.217 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -68.46 -47.31 67.46 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 109.71 -0.478 . . . . 10.0 109.71 179.226 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -58.1 -39.52 78.81 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 109.534 -0.543 . . . . 10.0 109.534 179.029 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 371' ' ' LEU . . . . . 0.417 HD12 HD23 ' A' ' 368' ' ' LEU . 73.5 mt -64.5 -45.39 87.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.492 -0.776 . . . . 10.0 110.011 178.571 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 372' ' ' ARG . . . . . 0.473 ' O ' ' HG ' ' A' ' 376' ' ' LEU . 96.6 mtt180 -65.48 -40.74 93.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.874 0.369 . . . . 10.0 110.653 179.551 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -65.42 -42.47 92.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.005 178.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -68.59 -33.46 76.49 Favored Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.793 -0.639 . . . . 10.0 111.615 179.452 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 375' ' ' LEU . . . . . 0.475 HD11 ' H38' ' A' ' 416' ' ' 17F . 32.3 mt -71.62 -21.83 61.78 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.808 0.299 . . . . 10.0 111.808 179.265 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 376' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 372' ' ' ARG . 61.7 mt -55.77 -60.8 7.61 Favored Pre-proline 0 CA--C 1.536 0.418 0 N-CA-C 112.291 0.478 . . . . 10.0 112.291 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -65.32 -31.75 52.09 Favored 'Trans proline' 0 C--N 1.356 0.936 0 C-N-CA 121.751 1.634 . . . . 10.0 111.377 179.279 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 74.7 t -64.08 -53.94 37.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.295 179.291 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 95.3 mt -59.89 -41.28 91.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.386 -0.37 . . . . 10.0 110.634 179.488 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 -63.8 -45.48 89.47 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 116.276 -0.42 . . . . 10.0 110.916 179.439 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 78.7 p -67.35 -34.11 76.62 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-O 121.222 0.534 . . . . 10.0 110.231 178.601 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -64.81 -34.41 78.29 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.892 -0.594 . . . . 10.0 110.032 179.05 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -62.47 -46.57 87.9 Favored 'General case' 0 C--O 1.225 -0.185 0 N-CA-C 109.117 -0.697 . . . . 10.0 109.117 178.3 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 24.4 t -61.66 -42.38 94.0 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 CA-C-N 115.624 -0.716 . . . . 10.0 109.391 179.183 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 15.3 m -64.2 -47.31 80.22 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.743 -0.662 . . . . 10.0 110.573 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 386' ' ' PHE . . . . . 0.422 ' O ' ' HG ' ' A' ' 390' ' ' LEU . 2.5 m-85 -62.99 -47.06 84.77 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.115 179.69 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 46.6 mt -58.62 -52.46 65.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.043 -0.526 . . . . 10.0 111.732 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 388' ' ' SER . . . . . 0.632 ' HB2' ' HE2' ' D' ' 594' ' ' LYS . 11.2 p -61.3 -38.03 85.37 Favored 'General case' 0 C--N 1.33 -0.269 0 O-C-N 123.202 0.314 . . . . 10.0 110.951 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -66.34 -41.23 89.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.013 0.435 . . . . 10.0 110.661 179.073 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 390' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 386' ' ' PHE . 77.3 mt -62.83 -41.88 99.51 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.954 -0.566 . . . . 10.0 109.869 179.362 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 391' ' ' GLU . . . . . 0.435 ' O ' ' HB2' ' A' ' 395' ' ' LYS . 15.4 mt-10 -63.33 -33.76 76.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.589 -0.732 . . . . 10.0 110.717 179.432 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 392' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' A' ' 388' ' ' SER . 57.1 mm-40 -64.03 -37.82 88.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.011 0.434 . . . . 10.0 110.381 179.134 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -69.13 -43.15 74.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.862 -0.608 . . . . 10.0 109.897 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 394' ' ' THR . . . . . 0.42 ' O ' ' HB3' ' A' ' 398' ' ' ASN . 1.0 OUTLIER -71.44 -13.71 61.92 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.993 0.425 . . . . 10.0 110.484 179.354 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 395' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 391' ' ' GLU . 8.7 ttmt -88.67 -54.01 4.36 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 112.683 0.623 . . . . 10.0 112.683 -179.002 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 2.7 mptt -97.22 -19.27 18.71 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 113.932 1.086 . . . . 10.0 113.932 -177.458 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 38.4 mt -105.44 26.29 9.65 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.094 0.473 . . . . 10.0 111.403 -179.331 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 398' ' ' ASN . . . . . 0.42 ' HB3' ' O ' ' A' ' 394' ' ' THR . 41.0 t30 . . . . . 0 C--N 1.325 -0.497 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.15 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--O 1.231 0.106 0 CA-C-O 121.097 0.475 . . . . 10.0 110.77 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -90.9 21.85 3.94 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.874 -179.246 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 28.6 mt -64.9 -51.5 61.61 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.598 -0.728 . . . . 10.0 110.975 -179.191 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 69.9 mt -62.26 -34.98 77.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.75 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -64.16 -46.29 84.71 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.856 -0.611 . . . . 10.0 110.489 179.228 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 404' ' ' ASN . . . . . 0.439 ' O ' HG23 ' D' ' 408' ' ' VAL . 13.2 t30 -70.45 -32.22 69.71 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.187 179.415 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 1.1 m95 -58.67 -37.36 75.84 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.868 -0.606 . . . . 10.0 110.43 179.266 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -65.02 -41.26 95.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.906 -0.588 . . . . 10.0 109.78 178.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.44 -34.49 76.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.414 0.626 . . . . 10.0 109.642 178.795 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 408' ' ' VAL . . . . . 0.439 HG23 ' O ' ' D' ' 404' ' ' ASN . 66.5 t -73.27 -35.7 47.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.697 -0.683 . . . . 10.0 109.307 178.411 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 32.8 m -68.31 -42.14 79.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.689 -0.687 . . . . 10.0 110.227 179.334 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 17.8 m -60.31 -44.87 95.04 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 116.444 -0.344 . . . . 10.0 110.492 179.285 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 411' ' ' THR . . . . . 0.497 ' O ' ' HG ' ' D' ' 415' ' ' LEU . 0.9 OUTLIER -66.18 -38.88 89.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 10.0 110.732 179.752 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -64.88 -41.97 95.2 Favored 'General case' 0 CA--C 1.52 -0.174 0 N-CA-C 109.891 -0.411 . . . . 10.0 109.891 178.611 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 19.7 m -62.65 -41.72 99.2 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.838 -0.619 . . . . 10.0 109.657 178.658 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 414' ' ' LYS . . . . . 0.491 ' HD3' ' HA ' ' D' ' 414' ' ' LYS . 50.6 mmtt -66.17 -30.22 70.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.15 178.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 415' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' D' ' 411' ' ' THR . 65.8 mt -67.91 -39.24 83.61 Favored 'General case' 0 CA--C 1.519 -0.245 0 N-CA-C 109.216 -0.661 . . . . 10.0 109.216 178.294 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 65.5 mtt180 -66.27 -36.05 81.98 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.408 -0.589 . . . . 10.0 109.408 178.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -67.23 -21.96 65.72 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.647 178.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -90.53 -55.55 3.54 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.046 -0.724 . . . . 10.0 109.046 178.394 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 78.6 mt -48.57 -45.22 37.53 Favored 'General case' 0 C--O 1.228 -0.073 0 CA-C-N 115.433 -0.803 . . . . 10.0 112.585 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -53.03 -76.93 0.16 Allowed Glycine 0 C--N 1.333 0.396 0 C-N-CA 121.307 -0.473 . . . . 10.0 112.903 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 421' ' ' PRO . . . . . 0.405 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 50.0 Cg_exo -55.97 -38.2 95.01 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.838 2.359 . . . . 10.0 112.515 179.464 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 16.4 t -60.33 -47.26 93.08 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.252 0 N-CA-C 111.715 0.265 . . . . 10.0 111.715 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 24.8 p -67.04 -30.49 70.58 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 120.819 -0.352 . . . . 10.0 110.483 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -63.41 -50.1 71.15 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.115 -0.493 . . . . 10.0 109.714 179.011 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 425' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 10.8 pt-20 -76.22 -28.51 57.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 10.0 110.904 179.151 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 426' ' ' PHE . . . . . 0.448 ' O ' ' HG ' ' D' ' 430' ' ' LEU . 52.2 t80 -64.44 -39.09 93.17 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 109.3 -0.629 . . . . 10.0 109.3 178.453 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 5.0 m95 -66.91 -36.77 83.01 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 109.516 -0.549 . . . . 10.0 109.516 178.517 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 428' ' ' ASP . . . . . 0.486 ' O ' ' HG3' ' D' ' 432' ' ' LYS . 32.5 t70 -67.99 -30.89 70.26 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 108.867 -0.79 . . . . 10.0 108.867 178.163 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.53 -41.62 65.66 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.584 -0.895 . . . . 10.0 108.584 177.256 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 430' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' D' ' 426' ' ' PHE . 92.8 mt -60.62 -40.09 90.6 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.538 -0.755 . . . . 10.0 109.7 178.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -62.23 -31.85 72.44 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.279 0.561 . . . . 10.0 110.151 178.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 432' ' ' LYS . . . . . 0.486 ' HG3' ' O ' ' D' ' 428' ' ' ASP . 53.6 mttp -71.94 -43.24 65.56 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.643 -0.873 . . . . 10.0 108.643 178.365 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -65.42 -45.79 82.52 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.289 -0.869 . . . . 10.0 111.454 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 5.1 p -60.78 -50.16 74.56 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-O 120.619 0.247 . . . . 10.0 110.556 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 435' ' ' GLU . . . . . 0.477 ' O ' ' HG3' ' D' ' 439' ' ' GLN . 8.0 mm-40 -63.84 -46.3 85.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.642 179.585 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -58.78 -47.99 87.5 Favored Glycine 0 N--CA 1.452 -0.266 0 N-CA-C 111.235 -0.746 . . . . 10.0 111.235 179.126 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 61.4 mt -64.17 -32.74 74.43 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 110.051 -0.351 . . . . 10.0 110.051 178.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 63.4 mtt180 -64.78 -33.83 76.91 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-N 116.537 -0.302 . . . . 10.0 110.626 178.631 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 439' ' ' GLN . . . . . 0.477 ' HG3' ' O ' ' D' ' 435' ' ' GLU . 81.8 mt-30 -67.03 -44.06 81.19 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.728 -0.842 . . . . 10.0 108.728 178.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 440' ' ' GLU . . . . . 0.532 ' O ' ' HB2' ' D' ' 444' ' ' ASP . 39.1 mt-10 -68.43 -41.3 80.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.605 -0.725 . . . . 10.0 110.031 179.168 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 88.4 mmm -67.61 -40.52 84.7 Favored 'General case' 0 C--O 1.225 -0.204 0 N-CA-C 113.095 0.776 . . . . 10.0 113.095 -179.4 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 2.5 p -60.51 -52.44 65.17 Favored 'General case' 0 CA--C 1.518 -0.271 0 C-N-CA 120.901 -0.32 . . . . 10.0 110.166 179.713 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -61.57 -36.76 81.54 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.523 -0.547 . . . . 10.0 109.523 179.006 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 444' ' ' ASP . . . . . 0.603 ' O ' ' HB ' ' D' ' 448' ' ' VAL . 2.1 t70 -66.13 -58.73 4.79 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.802 -0.635 . . . . 10.0 111.835 -179.264 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 92.0 mt -63.23 -46.0 88.99 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.804 0.668 . . . . 10.0 112.804 -178.448 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -61.74 -48.22 81.66 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.85 0.357 . . . . 10.0 110.953 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 447' ' ' GLU . . . . . 0.498 ' HB3' ' NH2' ' A' ' 330' ' ' ARG . 7.5 tt0 -73.42 -22.89 60.11 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.43 -0.35 . . . . 10.0 110.695 179.649 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 448' ' ' VAL . . . . . 0.603 ' HB ' ' O ' ' D' ' 444' ' ' ASP . 0.5 OUTLIER -64.56 -33.72 64.9 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.141 0 CA-C-N 116.46 -0.336 . . . . 10.0 110.714 179.711 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -64.37 -39.1 93.21 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.256 -1.016 . . . . 10.0 108.256 178.337 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -83.08 8.19 13.65 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.406 -0.815 . . . . 10.0 110.458 179.431 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 451' ' ' LYS . . . . . 0.489 ' O ' ' HB2' ' D' ' 455' ' ' TYR . 31.1 mmtm -114.27 -54.31 2.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.042 179.368 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 61.3 t -63.56 -38.69 82.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.914 -0.585 . . . . 10.0 111.69 -179.433 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -59.5 -60.5 10.39 Favored Pre-proline 0 C--N 1.329 -0.302 0 N-CA-C 112.306 0.484 . . . . 10.0 112.306 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -64.39 -32.54 60.46 Favored 'Trans proline' 0 C--N 1.357 1.0 0 C-N-CA 121.72 1.613 . . . . 10.0 111.774 178.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 455' ' ' TYR . . . . . 0.489 ' HB2' ' O ' ' D' ' 451' ' ' LYS . 18.1 t80 -63.0 -50.19 71.73 Favored 'General case' 0 C--N 1.333 -0.132 0 N-CA-C 109.802 -0.444 . . . . 10.0 109.802 179.191 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 456' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' D' ' 456' ' ' LEU . 24.8 mt -70.39 -27.97 64.72 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.763 179.599 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -66.26 -53.26 38.97 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.992 0.425 . . . . 10.0 109.998 178.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 458' ' ' ASP . . . . . 0.417 ' HA ' ' HD2' ' D' ' 461' ' ' LYS . 22.5 t70 -66.91 -35.75 80.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.877 -0.601 . . . . 10.0 109.578 178.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 459' ' ' PHE . . . . . 0.456 ' HB2' ' O ' ' D' ' 455' ' ' TYR . 0.5 OUTLIER -66.79 -37.54 84.77 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 116.08 -0.509 . . . . 10.0 109.656 178.354 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 460' ' ' GLN . . . . . 0.426 ' HA ' ' CE3' ' D' ' 463' ' ' TRP . 46.2 tt0 -63.37 -42.99 98.88 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.847 -0.797 . . . . 10.0 108.847 178.788 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 461' ' ' LYS . . . . . 0.417 ' HD2' ' HA ' ' D' ' 458' ' ' ASP . 68.2 mttt -62.41 -38.17 88.65 Favored 'General case' 0 CA--C 1.52 -0.201 0 N-CA-C 109.169 -0.678 . . . . 10.0 109.169 178.487 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 462' ' ' LYS . . . . . 0.902 ' HB3' H281 ' D' ' 602' ' ' PCW . 0.2 OUTLIER -67.08 -41.4 86.41 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.489 -0.778 . . . . 10.0 109.632 178.628 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 463' ' ' TRP . . . . . 0.721 ' CD1' ' H71' ' D' ' 629' ' ' 17F . 32.0 m0 -65.31 -37.71 87.96 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.331 -0.618 . . . . 10.0 109.331 178.257 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -64.11 -47.61 79.34 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 108.599 -0.889 . . . . 10.0 108.599 178.193 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 465' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -55.39 -49.26 72.81 Favored 'General case' 0 C--O 1.224 -0.245 0 N-CA-C 109.615 -0.513 . . . . 10.0 109.615 178.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -60.44 -50.32 74.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.462 -0.79 . . . . 10.0 111.07 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 42.9 ttm -60.45 -50.02 75.25 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.88 0.371 . . . . 10.0 111.3 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -63.86 -35.08 79.45 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.178 -0.465 . . . . 10.0 110.597 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 469' ' ' LEU . . . . . 0.545 HD11 ' HG3' ' A' ' 308' ' ' ARG . 16.5 mt -67.73 -36.63 80.94 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 109.711 -0.478 . . . . 10.0 109.711 178.637 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -66.21 -24.66 66.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.954 0.407 . . . . 10.0 110.47 179.353 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -82.09 -8.53 59.66 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.049 0.452 . . . . 10.0 110.077 178.615 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -114.98 -2.41 12.84 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.604 -0.726 . . . . 10.0 109.423 178.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 473' ' ' LYS . . . . . 0.586 ' HE2' ' HB3' ' A' ' 301' ' ' LEU . 19.4 mttt -126.04 -64.65 1.03 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.703 -0.68 . . . . 10.0 110.781 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 82.1 t -62.48 -39.21 83.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.515 -0.312 . . . . 10.0 110.979 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -56.45 -60.68 8.43 Favored Pre-proline 0 CA--C 1.536 0.434 0 CA-C-N 116.705 -0.225 . . . . 10.0 111.183 178.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -63.4 -34.6 65.47 Favored 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 121.432 1.421 . . . . 10.0 110.855 178.131 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 477' ' ' LEU . . . . . 0.438 HD23 ' HA ' ' D' ' 477' ' ' LEU . 16.6 mt -64.1 -33.77 76.51 Favored 'General case' 0 C--O 1.223 -0.317 0 C-N-CA 121.054 -0.258 . . . . 10.0 110.808 179.186 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 60.2 mtt-85 -66.1 -34.74 78.75 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.046 -0.724 . . . . 10.0 109.046 178.229 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -73.0 -41.72 63.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.524 -0.762 . . . . 10.0 109.027 178.334 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.82 -42.43 94.99 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.053 -0.521 . . . . 10.0 109.763 178.592 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 23.8 mt -65.72 -41.85 91.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.828 -0.624 . . . . 10.0 109.564 178.552 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -63.8 -44.89 91.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.374 -0.375 . . . . 10.0 110.018 179.056 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -63.11 -42.51 99.58 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.5 -0.556 . . . . 10.0 109.5 179.293 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -65.37 -42.59 95.93 Favored Glycine 0 N--CA 1.449 -0.493 0 N-CA-C 110.843 -0.903 . . . . 10.0 110.843 178.549 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -64.0 -37.85 88.92 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 109.934 -0.395 . . . . 10.0 109.934 178.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 89.2 mtt180 -60.95 -48.29 82.49 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 109.539 -0.541 . . . . 10.0 109.539 178.643 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 487' ' ' GLN . . . . . 0.42 ' HA ' ' OE1' ' D' ' 487' ' ' GLN . 15.7 mm-40 -64.21 -42.75 96.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.624 179.505 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 69.8 tttt -65.22 -37.05 86.07 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.975 -0.38 . . . . 10.0 109.975 179.166 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 489' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' D' ' 489' ' ' LEU . 18.6 mt -65.85 -40.33 91.6 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.137 -0.69 . . . . 10.0 109.137 178.174 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -64.11 -41.67 97.16 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.252 -1.018 . . . . 10.0 108.252 178.228 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -60.35 -46.76 88.78 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.879 -0.785 . . . . 10.0 108.879 177.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 93.8 mt -64.42 -40.32 95.55 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-N 115.661 -0.699 . . . . 10.0 111.046 179.473 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -62.09 -36.39 81.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.382 0.61 . . . . 10.0 110.567 179.197 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -87.96 11.24 16.38 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.955 -0.566 . . . . 10.0 111.012 179.488 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 495' ' ' LYS . . . . . 1.024 ' HE3' HD22 ' A' ' 279' ' ' LEU . 53.7 mttp -124.11 -55.91 1.66 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.231 -0.441 . . . . 10.0 110.465 179.281 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 496' ' ' LEU . . . . . 0.522 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 80.9 mt -62.87 -19.54 64.25 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.489 0.552 . . . . 10.0 112.489 -179.231 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 497' ' ' SER . . . . . 0.518 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 3.4 m -85.97 -65.55 0.2 Allowed Pre-proline 0 C--N 1.324 -0.531 0 C-N-CA 120.789 -0.364 . . . . 10.0 111.303 178.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 498' ' ' PRO . . . . . 0.518 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 29.4 Cg_endo -63.67 -48.35 5.74 Favored 'Trans proline' 0 C--N 1.356 0.974 0 C-N-CA 121.606 1.537 . . . . 10.0 111.952 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 499' ' ' LEU . . . . . 0.66 HD21 ' HG2' ' A' ' 275' ' ' LYS . 77.0 mt -73.32 -32.3 64.5 Favored 'General case' 0 CA--C 1.522 -0.107 0 CA-C-O 120.772 0.32 . . . . 10.0 110.19 179.764 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 500' ' ' GLY . . . . . 0.522 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -65.62 -49.53 59.48 Favored Glycine 0 N--CA 1.449 -0.486 0 N-CA-C 110.634 -0.986 . . . . 10.0 110.634 179.192 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -63.86 -34.61 78.33 Favored 'General case' 0 CA--C 1.519 -0.235 0 N-CA-C 109.2 -0.667 . . . . 10.0 109.2 178.322 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 502' ' ' GLU . . . . . 0.498 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 28.6 tt0 -64.2 -43.19 95.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.521 -0.763 . . . . 10.0 109.163 178.538 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 503' ' ' MET . . . . . 0.828 ' HA ' ' HD2' ' D' ' 506' ' ' ARG . 86.0 mmm -61.93 -42.07 98.68 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 109.633 -0.506 . . . . 10.0 109.633 179.053 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 504' ' ' ARG . . . . . 0.482 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 87.3 mtt180 -64.23 -38.77 92.24 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.514 -0.767 . . . . 10.0 109.382 178.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 505' ' ' ASP . . . . . 0.699 ' HA ' ' HD2' ' D' ' 508' ' ' ARG . 13.6 t70 -68.05 -36.25 79.57 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.016 0.436 . . . . 10.0 110.378 179.201 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 506' ' ' ARG . . . . . 0.828 ' HD2' ' HA ' ' D' ' 503' ' ' MET . 37.9 mtt180 -63.55 -43.82 95.97 Favored 'General case' 0 CA--C 1.52 -0.203 0 N-CA-C 107.477 -1.305 . . . . 10.0 107.477 177.387 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -63.06 -35.24 79.6 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 114.933 -1.03 . . . . 10.0 110.003 178.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 508' ' ' ARG . . . . . 0.699 ' HD2' ' HA ' ' D' ' 505' ' ' ASP . 72.8 mtt180 -61.8 -33.56 74.34 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.828 -0.434 . . . . 10.0 109.828 178.626 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 509' ' ' ALA . . . . . 0.446 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -79.73 -35.38 38.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.436 179.402 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 510' ' ' HIS . . . . . 0.468 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 52.0 m-70 -73.25 -49.41 27.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.223 -0.444 . . . . 10.0 111.263 179.602 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 511' ' ' VAL . . . . . 0.408 ' O ' ' HG3' ' D' ' 515' ' ' ARG . 96.2 t -63.1 -40.45 89.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.413 -0.358 . . . . 10.0 110.036 179.628 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 512' ' ' ASP . . . . . 0.457 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 31.1 t70 -65.1 -34.09 77.57 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 121.037 0.446 . . . . 10.0 109.845 178.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -65.87 -42.58 90.17 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 108.669 -0.863 . . . . 10.0 108.669 178.155 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 514' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' D' ' 510' ' ' HIS . 89.3 mt -57.83 -32.76 67.92 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.077 -0.511 . . . . 10.0 110.476 179.095 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 515' ' ' ARG . . . . . 0.457 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 68.0 mtt180 -67.66 -20.62 65.33 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.22 179.243 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -112.1 -1.7 15.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.362 0.601 . . . . 10.0 110.078 179.429 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 517' ' ' HIS . . . . . 0.457 ' O ' ' HB2' ' D' ' 521' ' ' TYR . 25.5 m170 -110.81 -72.27 0.73 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.037 -0.529 . . . . 10.0 111.491 -179.405 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 61.4 mt -70.95 -42.32 69.96 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.969 0.729 . . . . 10.0 112.969 -178.317 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 519' ' ' ALA . . . . . 0.66 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -56.66 -57.1 25.88 Favored Pre-proline 0 C--O 1.238 0.462 0 N-CA-C 112.449 0.537 . . . . 10.0 112.449 -179.771 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 520' ' ' PRO . . . . . 0.66 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 27.4 Cg_exo -65.8 -31.09 49.05 Favored 'Trans proline' 0 C--N 1.355 0.871 0 C-N-CA 121.953 1.769 . . . . 10.0 111.418 179.084 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 521' ' ' TYR . . . . . 0.478 ' HA ' ' OE1' ' D' ' 524' ' ' GLU . 18.1 t80 -68.48 -35.46 77.57 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 116.227 -0.442 . . . . 10.0 109.94 179.513 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 522' ' ' SER . . . . . 0.486 ' O ' ' HG3' ' D' ' 526' ' ' ARG . 71.0 m -63.89 -34.12 77.23 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 109.722 -0.473 . . . . 10.0 109.722 178.495 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 523' ' ' ASP . . . . . 0.612 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 10.1 t70 -68.48 -38.74 81.29 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 115.954 -0.566 . . . . 10.0 109.582 178.504 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 524' ' ' GLU . . . . . 0.478 ' OE1' ' HA ' ' D' ' 521' ' ' TYR . 9.8 mt-10 -68.54 -34.28 75.58 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.833 -0.803 . . . . 10.0 108.833 178.018 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 525' ' ' LEU . . . . . 0.568 HD23 ' HD2' ' D' ' 528' ' ' ARG . 25.3 mt -69.0 -34.01 74.58 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 115.442 -0.799 . . . . 10.0 109.837 177.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 526' ' ' ARG . . . . . 0.612 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 85.0 mtt180 -59.94 -38.01 81.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.081 0.467 . . . . 10.0 109.843 178.629 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -69.77 -37.74 76.49 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.257 -0.646 . . . . 10.0 109.257 178.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 528' ' ' ARG . . . . . 0.568 ' HD2' HD23 ' D' ' 525' ' ' LEU . 74.5 mtt180 -68.65 -42.04 78.5 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.616 -0.72 . . . . 10.0 109.465 178.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 529' ' ' LEU . . . . . 0.438 ' O ' ' HG ' ' D' ' 533' ' ' LEU . 81.6 mt -66.62 -32.61 74.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.89 -0.596 . . . . 10.0 109.975 178.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -64.11 -43.7 94.5 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.536 -0.542 . . . . 10.0 109.536 178.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -69.57 -38.07 77.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.501 -0.772 . . . . 10.0 109.168 178.606 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 532' ' ' ARG . . . . . 0.493 ' O ' ' HG ' ' D' ' 536' ' ' LEU . 4.2 ttm180 -61.45 -52.7 63.47 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.057 -0.974 . . . . 10.0 109.828 178.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 533' ' ' LEU . . . . . 0.454 HD23 HD12 ' D' ' 536' ' ' LEU . 97.4 mt -64.06 -32.13 73.58 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 115.793 -0.639 . . . . 10.0 110.283 179.596 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -62.03 -47.69 83.63 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 108.981 -0.748 . . . . 10.0 108.981 178.277 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -63.98 -43.31 96.13 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.469 -0.787 . . . . 10.0 109.324 178.473 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 536' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' D' ' 532' ' ' ARG . 89.7 mt -63.15 -28.13 69.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.853 179.262 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -79.87 -46.5 16.71 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 110.252 -0.277 . . . . 10.0 110.252 178.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.36 -50.99 67.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.051 179.357 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -70.36 -32.48 70.19 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 109.198 -0.668 . . . . 10.0 109.198 178.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 540' ' ' GLY . . . . . 0.427 ' O ' ' HG ' ' D' ' 544' ' ' LEU . . . -64.7 -44.73 94.48 Favored Glycine 0 CA--C 1.51 -0.275 0 N-CA-C 110.85 -0.9 . . . . 10.0 110.85 179.219 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -62.53 -37.06 94.08 Favored Glycine 0 N--CA 1.448 -0.557 0 N-CA-C 110.608 -0.997 . . . . 10.0 110.608 178.489 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -67.13 -48.36 68.33 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 108.555 -0.906 . . . . 10.0 108.555 178.263 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 543' ' ' ARG . . . . . 0.446 HH11 ' HD2' ' D' ' 543' ' ' ARG . 30.5 mtt180 -56.4 -45.97 80.36 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.704 -0.68 . . . . 10.0 110.512 179.204 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 544' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' D' ' 540' ' ' GLY . 48.2 mt -58.56 -40.99 84.64 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.592 0.234 . . . . 10.0 110.846 179.709 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -68.49 -44.92 73.69 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.057 -0.519 . . . . 10.0 110.369 179.479 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -64.25 -52.65 57.68 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.859 179.55 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 547' ' ' TYR . . . . . 0.407 ' HD1' ' O ' ' D' ' 543' ' ' ARG . 29.1 m-85 -59.34 -35.87 74.65 Favored 'General case' 0 C--O 1.225 -0.208 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.9 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 548' ' ' HIS . . . . . 0.419 ' HB2' ' O ' ' D' ' 544' ' ' LEU . 9.7 t-160 -66.77 -45.71 77.6 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.768 -0.456 . . . . 10.0 109.768 178.679 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -64.02 -45.91 86.82 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 109.581 -0.526 . . . . 10.0 109.581 178.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.93 -36.95 85.12 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-N 115.533 -0.758 . . . . 10.0 110.542 179.387 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -66.29 -38.17 87.12 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 110.082 -0.34 . . . . 10.0 110.082 179.352 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 6.2 m -70.63 -43.2 69.73 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.124 -0.695 . . . . 10.0 109.124 178.558 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -62.37 -45.82 91.42 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 109.463 -0.569 . . . . 10.0 109.463 178.502 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -62.01 -41.39 98.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.513 -0.767 . . . . 10.0 110.246 179.268 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 20.9 tp -63.91 -33.49 75.83 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 109.611 -0.514 . . . . 10.0 109.611 178.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 24.3 m -69.69 -42.75 73.68 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.74 -0.664 . . . . 10.0 110.294 179.469 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.1 -34.44 71.12 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.03 0.443 . . . . 10.0 109.845 178.627 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 32.4 mt -63.14 -46.12 88.71 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.029 178.651 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 559' ' ' SER . . . . . 0.435 ' HA ' ' HB3' ' D' ' 562' ' ' ALA . 2.8 p -71.54 -30.66 66.15 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.091 0.472 . . . . 10.0 110.283 178.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -64.26 -31.95 73.35 Favored 'General case' 0 C--O 1.224 -0.242 0 N-CA-C 109.127 -0.694 . . . . 10.0 109.127 178.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -103.5 4.36 35.85 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.59 -0.732 . . . . 10.0 110.354 179.15 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 562' ' ' ALA . . . . . 0.435 ' HB3' ' HA ' ' D' ' 559' ' ' SER . . . -90.21 -55.11 3.73 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.476 -0.329 . . . . 10.0 110.587 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 563' ' ' LYS . . . . . 0.441 ' N ' ' HD2' ' D' ' 564' ' ' PRO . 90.5 mttt -52.46 -55.29 33.46 Favored Pre-proline 0 CA--C 1.532 0.272 0 CA-C-N 116.247 -0.433 . . . . 10.0 112.112 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 564' ' ' PRO . . . . . 0.441 ' HD2' ' N ' ' D' ' 563' ' ' LYS . 28.2 Cg_endo -62.73 -40.94 33.55 Favored 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 121.835 1.69 . . . . 10.0 112.22 179.641 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -66.44 -48.2 70.75 Favored 'General case' 0 C--O 1.224 -0.245 0 N-CA-C 112.055 0.391 . . . . 10.0 112.055 -179.247 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 91.3 mt -60.08 -46.27 90.12 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 120.621 0.248 . . . . 10.0 110.844 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -67.66 -41.15 84.23 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.424 -0.353 . . . . 10.0 110.855 179.246 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -63.62 -44.55 93.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.442 -0.345 . . . . 10.0 110.216 179.499 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 40.1 mt -62.84 -40.67 98.15 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-N 116.136 -0.483 . . . . 10.0 110.196 178.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 66.3 mtt180 -65.68 -47.85 74.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.91 0.386 . . . . 10.0 110.456 179.136 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -71.46 -12.29 61.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.033 -0.53 . . . . 10.0 111.38 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -100.14 -31.75 5.81 Favored Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 111.317 -0.713 . . . . 10.0 111.317 179.143 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 573' ' ' LEU . . . . . 0.578 ' HA ' HG12 ' D' ' 576' ' ' VAL . 20.2 mt -74.5 -36.79 63.25 Favored 'General case' 0 C--O 1.22 -0.468 0 N-CA-C 111.38 0.141 . . . . 10.0 111.38 179.674 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 574' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' D' ' 574' ' ' LEU . 34.6 mt -55.54 -60.5 8.3 Favored Pre-proline 0 CA--C 1.536 0.419 0 N-CA-C 112.302 0.482 . . . . 10.0 112.302 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -63.4 -37.27 50.35 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 122.001 1.8 . . . . 10.0 112.081 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 576' ' ' VAL . . . . . 0.578 HG12 ' HA ' ' D' ' 573' ' ' LEU . 0.9 OUTLIER -69.53 -34.32 61.22 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 C-N-CA 120.812 -0.355 . . . . 10.0 111.121 -179.784 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 577' ' ' LEU . . . . . 0.479 ' O ' ' HG3' ' D' ' 581' ' ' LYS . 11.4 mt -64.55 -44.29 91.26 Favored 'General case' 0 CA--C 1.511 -0.539 0 N-CA-C 109.365 -0.606 . . . . 10.0 109.365 178.258 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 578' ' ' GLU . . . . . 0.416 ' O ' HG23 ' D' ' 582' ' ' VAL . 70.7 mm-40 -60.64 -40.26 91.32 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.829 -0.623 . . . . 10.0 109.459 178.458 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 13.6 m -62.81 -44.55 95.85 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 109.16 -0.682 . . . . 10.0 109.16 178.637 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 580' ' ' PHE . . . . . 0.468 ' O ' ' HB2' ' D' ' 584' ' ' PHE . 15.8 m-85 -64.67 -36.96 85.96 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.758 -0.655 . . . . 10.0 110.739 179.258 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 581' ' ' LYS . . . . . 0.479 ' HG3' ' O ' ' D' ' 577' ' ' LEU . 93.4 mttt -62.09 -50.48 71.78 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 116.448 -0.342 . . . . 10.0 110.122 179.205 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 582' ' ' VAL . . . . . 0.416 HG23 ' O ' ' D' ' 578' ' ' GLU . 81.4 t -57.73 -49.77 79.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.706 179.401 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 20.2 m -61.62 -37.74 85.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.278 -0.419 . . . . 10.0 111.073 179.418 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 584' ' ' PHE . . . . . 0.468 ' HB2' ' O ' ' D' ' 580' ' ' PHE . 0.2 OUTLIER -68.34 -48.6 64.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.436 -0.347 . . . . 10.0 111.211 -179.918 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 84.6 mt -59.85 -47.93 83.73 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.333 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 10.0 p -65.52 -35.25 80.32 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.934 0.397 . . . . 10.0 110.571 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -67.58 -55.4 13.55 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.207 178.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 93.8 mt -56.74 -43.77 81.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.906 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -56.02 -50.32 71.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.855 179.416 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -71.1 -37.28 72.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.325 -0.398 . . . . 10.0 111.602 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -60.85 -41.14 95.27 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.878 0.371 . . . . 10.0 110.102 179.143 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 16.7 m -64.08 -38.8 92.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.538 179.486 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -71.45 -39.18 71.17 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.919 0.39 . . . . 10.0 110.625 179.217 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 594' ' ' LYS . . . . . 0.632 ' HE2' ' HB2' ' A' ' 388' ' ' SER . 7.7 mptt -70.39 -29.78 66.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 10.0 112.291 -179.425 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 71.5 mt -102.39 11.39 38.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.007 0.432 . . . . 10.0 111.965 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 . . . . . 0 C--N 1.323 -0.576 0 CA-C-N 116.33 -0.395 . . . . 10.0 111.703 -179.704 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 N--CA 1.456 -0.166 0 CA-C-O 120.897 0.379 . . . . 10.0 110.646 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 22.0 m -143.63 136.6 27.59 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.321 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.476 ' HA ' ' HB3' ' B' ' 52' ' ' LEU . 26.5 tt0 -91.2 140.26 29.97 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.924 -0.399 . . . . 10.0 109.924 179.398 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -127.51 114.19 17.13 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 120.807 0.337 . . . . 10.0 110.433 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 47.4 mttm -83.23 107.74 15.98 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.551 -179.669 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.474 HD11 HD22 ' B' ' 53' ' ' LEU . 0.7 OUTLIER -111.87 138.51 48.39 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.744 -0.662 . . . . 10.0 111.437 -178.054 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 45.4 t -124.64 123.1 65.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.018 179.512 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 67.7 t -95.11 111.11 25.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.411 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 15.8 m -107.69 164.36 5.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.32 -0.4 . . . . 10.0 111.155 -179.224 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 152.76 -175.41 31.33 Favored Glycine 0 N--CA 1.443 -0.894 0 N-CA-C 111.35 -0.7 . . . . 10.0 111.35 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' ALA . . . . . 0.497 ' HB3' ' HB3' ' B' ' 89' ' ' SER . . . -84.12 -168.07 2.01 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.788 0.327 . . . . 10.0 111.342 -179.495 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -94.28 136.43 34.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.197 0.523 . . . . 10.0 111.374 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' GLY . . . . . 0.891 ' HA2' H5'1 ' B' ' 201' ' ' GSP . . . 78.34 14.88 81.72 Favored Glycine 0 N--CA 1.451 -0.319 0 CA-C-N 115.581 -0.736 . . . . 10.0 113.163 179.356 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 27.6 m -81.89 -23.5 9.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.086 0.47 . . . . 10.0 111.222 -179.691 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' GLY . . . . . 0.429 ' HA2' ' H8 ' ' B' ' 201' ' ' GSP . . . 106.51 18.86 10.4 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.583 -0.818 . . . . 10.0 112.289 179.589 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.608 ' HG2' ' O2B' ' B' ' 201' ' ' GSP . 9.9 ptmm? -63.42 -22.65 67.01 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 121.391 0.615 . . . . 10.0 110.927 179.699 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 17' ' ' SER . . . . . 0.44 ' N ' ' O2B' ' B' ' 201' ' ' GSP . 0.5 OUTLIER -89.22 -46.46 8.77 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 109.295 -0.631 . . . . 10.0 109.295 178.473 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.82 -49.52 73.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.617 -0.719 . . . . 10.0 111.805 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.517 HD23 ' HB2' ' B' ' 146' ' ' ALA . 68.7 mt -58.72 -48.34 81.49 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.384 -0.371 . . . . 10.0 111.456 -179.748 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 13.3 m -62.97 -44.66 95.43 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 116.067 -0.515 . . . . 10.0 111.166 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 93.6 mt -63.73 -33.61 62.83 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 CA-C-N 116.43 -0.35 . . . . 10.0 111.75 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' GLN . . . . . 0.563 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 6.1 mm-40 -66.35 -23.35 66.33 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.849 0.356 . . . . 10.0 111.686 179.738 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 6.2 tp -92.78 -34.52 13.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.144 0.497 . . . . 10.0 110.784 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 47.6 mm -78.79 -60.79 2.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 112.519 0.563 . . . . 10.0 112.519 -178.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -101.31 -0.42 35.66 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.782 0.66 . . . . 10.0 112.782 -177.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' ASN . . . . . 0.563 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 90.1 m-20 58.28 36.8 25.9 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 113.597 0.962 . . . . 10.0 113.597 178.308 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -139.31 155.1 47.95 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.745 0.307 . . . . 10.0 111.075 179.027 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -97.46 142.76 28.92 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.771 -179.522 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 3.9 m -104.11 113.66 41.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.141 -0.481 . . . . 10.0 111.284 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -90.38 -6.64 54.76 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.437 0.637 . . . . 10.0 109.586 179.361 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -106.7 121.5 44.48 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.449 -0.796 . . . . 10.0 110.51 179.588 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' TYR . . . . . 0.817 ' HD1' H5'2 ' B' ' 201' ' ' GSP . 58.7 t80 -71.92 127.96 34.22 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.898 -179.437 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 33' ' ' ASP . . . . . 0.52 ' O ' ' S1G' ' B' ' 201' ' ' GSP . 21.3 t70 -135.3 109.21 10.42 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.68 -0.236 . . . . 10.0 110.803 179.433 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -56.21 115.17 2.28 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 123.082 2.522 . . . . 10.0 112.047 -179.507 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.411 ' OG1' ' O3G' ' B' ' 201' ' ' GSP . 1.3 m -91.71 118.75 30.94 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.673 -179.552 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 40.7 mm -81.8 -45.41 20.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 109.016 -0.735 . . . . 10.0 109.016 178.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' GLU . . . . . 0.743 ' HG2' HD11 ' B' ' 56' ' ' LEU . 6.8 tt0 -178.76 95.26 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.223 -0.899 . . . . 10.0 109.706 178.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -118.0 127.21 53.6 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 121.0 -0.28 . . . . 10.0 110.425 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 39' ' ' SER . . . . . 0.586 ' HB2' ' NH1' ' B' ' 41' ' ' ARG . 1.6 p -104.8 130.39 52.91 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.933 0.397 . . . . 10.0 111.043 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -119.56 137.22 53.97 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.255 -0.43 . . . . 10.0 110.886 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.586 ' NH1' ' HB2' ' B' ' 39' ' ' SER . 2.0 mpp_? -108.71 128.51 54.93 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.466 -0.334 . . . . 10.0 110.77 -179.711 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 42' ' ' LYS . . . . . 0.547 ' HB3' ' HB2' ' B' ' 53' ' ' LEU . 41.0 tptt -131.16 145.51 51.99 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.146 -179.737 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -128.88 111.2 12.81 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 110.212 -0.292 . . . . 10.0 110.212 179.259 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 2.0 m -135.91 158.85 39.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.415 -0.357 . . . . 10.0 111.348 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 13.5 t -94.43 96.82 6.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.322 -0.399 . . . . 10.0 109.946 179.362 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 46' ' ' ILE . . . . . 0.516 ' HB ' ' SG ' ' B' ' 51' ' ' CYS . 73.3 mt -103.71 120.73 54.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.275 -0.421 . . . . 10.0 110.554 -179.529 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 47' ' ' ASP . . . . . 0.441 ' HB2' HH12 ' B' ' 164' ' ' ARG . 71.8 m-20 68.6 25.65 6.54 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.505 -0.771 . . . . 10.0 111.764 179.306 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.42 5.27 85.15 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.756 -0.735 . . . . 10.0 112.814 179.555 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -125.57 135.89 52.71 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.856 0.328 . . . . 10.0 110.492 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 1.7 m -68.31 128.75 37.7 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.804 -0.443 . . . . 10.0 109.804 179.328 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 51' ' ' CYS . . . . . 0.516 ' SG ' ' HB ' ' B' ' 46' ' ' ILE . 2.1 m -123.56 126.4 46.6 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.834 0.35 . . . . 10.0 111.3 -179.319 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.476 ' HB3' ' HA ' ' B' ' 3' ' ' GLU . 47.2 tp -90.94 102.03 14.8 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.451 -0.944 . . . . 10.0 108.451 178.356 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 53' ' ' LEU . . . . . 0.547 ' HB2' ' HB3' ' B' ' 42' ' ' LYS . 34.1 mt -82.7 113.7 20.55 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 116.02 -0.536 . . . . 10.0 111.78 -178.088 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -103.95 89.29 3.25 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 107.849 -1.167 . . . . 10.0 107.849 178.119 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 55' ' ' ILE . . . . . 0.411 HG12 HD12 ' B' ' 6' ' ' LEU . 1.4 mt -94.56 148.74 4.76 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 115.953 -0.567 . . . . 10.0 111.984 -177.534 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.743 HD11 ' HG2' ' B' ' 37' ' ' GLU . 20.6 tp -140.09 121.15 14.68 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.259 -0.428 . . . . 10.0 110.459 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 57' ' ' ASP . . . . . 0.512 ' OD1' ' HG3' ' B' ' 16' ' ' LYS . 26.3 t0 -89.99 105.94 18.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.783 0.325 . . . . 10.0 110.318 179.082 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 22.9 p -77.9 162.47 26.8 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.839 -0.619 . . . . 10.0 111.58 -179.521 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -83.66 113.4 20.83 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 116.137 -0.483 . . . . 10.0 109.872 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -91.35 35.75 3.84 Favored Glycine 0 N--CA 1.452 -0.266 0 CA-C-N 116.133 -0.485 . . . . 10.0 112.473 -179.406 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -93.49 1.34 56.82 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.96 0.41 . . . . 10.0 110.701 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 61.73 -166.59 0.21 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.48 -0.782 . . . . 10.0 112.846 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 78.01 -41.78 0.34 Allowed 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.268 0.627 . . . . 10.0 111.355 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 64' ' ' TYR . . . . . 0.818 ' HB3' ' HB3' ' B' ' 67' ' ' MET . 11.6 m-85 -58.71 96.51 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 121.086 0.469 . . . . 10.0 110.781 179.676 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.33 -40.57 12.69 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.753 -179.408 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -82.93 -32.8 27.02 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.683 -0.488 . . . . 10.0 109.683 179.552 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 67' ' ' MET . . . . . 0.818 ' HB3' ' HB3' ' B' ' 64' ' ' TYR . 17.6 tpp -78.14 67.8 4.04 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.249 -0.649 . . . . 10.0 109.249 179.387 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.11 -60.13 0.32 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.188 -179.151 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.504 ' HA ' HG11 ' B' ' 103' ' ' VAL . 3.8 m-20 -48.14 -50.77 27.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.27 -0.877 . . . . 10.0 112.697 -179.335 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -40.13 -61.9 0.81 Allowed 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 114.272 1.212 . . . . 10.0 114.272 -178.704 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -78.24 -21.51 49.83 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 113.417 0.895 . . . . 10.0 113.417 -178.61 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 72' ' ' MET . . . . . 0.885 ' HA ' ' HZ ' ' B' ' 78' ' ' PHE . 59.1 mtt -74.51 -40.3 61.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.908 0.385 . . . . 10.0 111.353 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 87.5 mtt180 -72.4 -28.41 62.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.913 0.387 . . . . 10.0 110.803 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 9.1 m -86.04 -42.88 13.58 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.046 -0.525 . . . . 10.0 112.007 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -66.68 143.2 43.42 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 121.256 -0.497 . . . . 10.0 112.846 -179.355 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -104.26 -38.99 6.66 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.233 0.539 . . . . 10.0 110.35 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -116.48 131.55 9.61 Favored Glycine 0 N--CA 1.447 -0.604 0 N-CA-C 111.21 -0.756 . . . . 10.0 111.21 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 78' ' ' PHE . . . . . 0.885 ' HZ ' ' HA ' ' B' ' 72' ' ' MET . 66.9 m-85 -113.72 125.78 54.5 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.115 0.483 . . . . 10.0 111.562 -179.675 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.575 HD12 ' HB ' ' B' ' 112' ' ' VAL . 14.7 tp -104.39 115.11 29.8 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.683 -0.689 . . . . 10.0 109.347 179.614 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 80' ' ' CYS . . . . . 0.692 ' HB3' HD12 ' B' ' 93' ' ' ILE . 14.5 m -92.78 97.6 10.87 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.803 0.335 . . . . 10.0 110.264 -179.51 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 99.0 t -99.53 121.82 50.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.809 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 36.6 p90 -131.1 161.02 33.02 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.701 -0.681 . . . . 10.0 109.879 179.097 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.585 ' HB3' ' HB3' ' B' ' 86' ' ' ASN . . . -97.02 128.26 43.81 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.208 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 84' ' ' ILE . . . . . 0.477 ' CD1' ' HA ' ' B' ' 118' ' ' CYS . 18.9 pt -67.05 -12.76 15.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.053 0.454 . . . . 10.0 111.693 -179.758 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 85' ' ' ASN . . . . . 0.428 ' OD1' ' HB1' ' B' ' 83' ' ' ALA . 32.7 p-10 -105.6 13.79 29.41 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.971 -0.558 . . . . 10.0 110.894 179.615 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.585 ' HB3' ' HB3' ' B' ' 83' ' ' ALA . 23.7 t-20 -140.98 101.94 4.15 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 115.497 -0.774 . . . . 10.0 109.897 179.355 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.75 -18.85 65.02 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.523 0.564 . . . . 10.0 112.523 -179.035 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -61.18 -49.31 77.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.61 0.243 . . . . 10.0 111.2 -179.692 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 89' ' ' SER . . . . . 0.584 ' O ' HG12 ' B' ' 93' ' ' ILE . 2.5 p -63.53 -39.03 93.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.397 -0.365 . . . . 10.0 111.108 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 90' ' ' PHE . . . . . 0.433 ' CZ ' ' HA ' ' B' ' 130' ' ' ALA . 38.9 t80 -62.31 -36.06 80.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.364 -0.38 . . . . 10.0 111.279 179.725 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -73.86 -38.83 64.35 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.715 179.409 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.05 -21.28 64.1 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.018 -0.537 . . . . 10.0 112.309 -179.461 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 93' ' ' ILE . . . . . 0.692 HD12 ' HB3' ' B' ' 80' ' ' CYS . 23.5 mm -55.23 -40.51 56.39 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 CA-C-N 116.165 -0.471 . . . . 10.0 110.684 179.488 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -66.49 -41.04 89.53 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.925 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 66.3 m80 -64.73 -44.81 88.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.011 -0.541 . . . . 10.0 110.99 -179.459 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -59.88 -44.6 94.09 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.154 -0.476 . . . . 10.0 111.263 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 97' ' ' ARG . . . . . 0.669 HH12 ' HB3' ' C' ' 177' ' ' LYS . 2.9 tmt_? -60.32 -49.09 78.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.044 -0.525 . . . . 10.0 111.813 -179.276 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 98' ' ' GLU . . . . . 0.581 ' OE2' ' HB2' ' C' ' 179' ' ' LYS . 59.0 mm-40 -66.24 -27.46 67.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.796 0.331 . . . . 10.0 111.567 -179.517 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -75.56 -47.31 27.33 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.522 -0.308 . . . . 10.0 110.463 179.614 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 100' ' ' ILE . . . . . 0.402 HG12 ' HE2' ' B' ' 72' ' ' MET . 93.9 mt -58.22 -41.4 80.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-N 116.066 -0.515 . . . . 10.0 111.31 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 101' ' ' LYS . . . . . 0.49 ' HD2' ' HA ' ' B' ' 107' ' ' GLU . 32.0 mtmt -60.69 -26.32 67.03 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.563 0.579 . . . . 10.0 112.563 -179.595 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 8.5 ttm180 -83.97 -36.75 23.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.151 0.5 . . . . 10.0 110.201 179.581 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 103' ' ' VAL . . . . . 0.504 HG11 ' HA ' ' B' ' 69' ' ' ASP . 91.1 t -71.68 -46.71 60.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.406 -0.815 . . . . 10.0 111.547 -179.684 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 104' ' ' LYS . . . . . 0.427 ' HD2' ' HE2' ' B' ' 78' ' ' PHE . 30.7 mtpp -86.81 -8.68 57.11 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.923 0.342 . . . . 10.0 111.923 -179.218 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 31.3 t0 54.34 71.16 0.54 Allowed 'General case' 0 N--CA 1.468 0.449 0 O-C-N 123.736 0.647 . . . . 10.0 112.083 -179.521 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 28.8 t -175.29 132.82 0.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.669 -0.696 . . . . 10.0 109.737 179.634 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 107' ' ' GLU . . . . . 0.49 ' HA ' ' HD2' ' B' ' 101' ' ' LYS . 38.7 tp10 -80.1 -19.41 47.47 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.336 -0.616 . . . . 10.0 109.336 179.048 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -114.88 120.7 40.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.949 -0.569 . . . . 10.0 111.196 -179.683 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -149.27 149.15 28.62 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 115.938 -0.573 . . . . 10.0 110.892 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 110' ' ' PRO . . . . . 0.523 ' HG3' ' HB2' ' B' ' 166' ' ' HIS . 21.3 Cg_exo -66.65 115.17 3.41 Favored 'Trans proline' 0 C--O 1.236 0.388 0 C-N-CA 122.518 2.145 . . . . 10.0 110.989 178.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 11.1 ttm -145.61 144.71 30.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.743 -0.208 . . . . 10.0 110.552 -179.564 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 112' ' ' VAL . . . . . 0.575 ' HB ' HD12 ' B' ' 79' ' ' LEU . 82.3 t -127.97 128.32 68.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.79 -0.448 . . . . 10.0 109.79 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 113' ' ' LEU . . . . . 0.43 HD12 ' HB2' ' B' ' 80' ' ' CYS . 18.6 tp -92.59 123.79 36.14 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.068 -0.716 . . . . 10.0 109.068 179.341 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 71.7 t -127.01 125.19 66.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.029 0.442 . . . . 10.0 112.114 -178.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -99.25 118.37 6.16 Favored Glycine 0 N--CA 1.445 -0.719 0 N-CA-C 109.242 -1.543 . . . . 10.0 109.242 178.052 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 116' ' ' ASN . . . . . 0.492 ' ND2' ' N7 ' ' B' ' 201' ' ' GSP . 65.5 t30 -99.23 167.95 10.35 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.905 0.352 . . . . 10.0 111.813 -178.475 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 94.5 mttt 66.09 32.01 8.5 Favored 'General case' 0 C--O 1.235 0.3 0 O-C-N 123.725 0.64 . . . . 10.0 111.399 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 118' ' ' CYS . . . . . 0.477 ' HA ' ' CD1' ' B' ' 84' ' ' ILE . 78.0 m -72.69 5.07 3.37 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 113.825 1.046 . . . . 10.0 113.825 -178.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -112.08 7.24 19.63 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.227 0.537 . . . . 10.0 110.481 178.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 120' ' ' LEU . . . . . 0.467 ' HA ' ' HD3' ' B' ' 121' ' ' PRO . 51.0 mt -95.35 139.0 21.81 Favored Pre-proline 0 C--O 1.236 0.394 0 CA-C-N 115.846 -0.616 . . . . 10.0 110.019 179.32 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 121' ' ' PRO . . . . . 0.467 ' HD3' ' HA ' ' B' ' 120' ' ' LEU . 8.2 Cg_exo -72.27 156.08 55.41 Favored 'Trans proline' 0 C--O 1.237 0.449 0 C-N-CA 123.06 2.507 . . . . 10.0 112.88 -178.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 4.3 m 54.7 77.21 0.21 Allowed 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.209 -0.905 . . . . 10.0 112.66 179.279 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 123' ' ' ARG . . . . . 0.447 ' HD2' ' HA ' ' B' ' 126' ' ' ASP . 2.7 ptp180 -90.2 165.16 14.1 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.124 -0.489 . . . . 10.0 109.966 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -105.33 -45.94 4.35 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.882 0.373 . . . . 10.0 111.095 178.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 63.6 t -92.97 107.89 19.68 Favored 'Isoleucine or valine' 0 C--O 1.238 0.473 0 CA-C-O 120.963 0.411 . . . . 10.0 110.57 179.24 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 126' ' ' ASP . . . . . 0.447 ' HA ' ' HD2' ' B' ' 123' ' ' ARG . 17.3 t70 -71.32 148.29 47.23 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.777 -0.647 . . . . 10.0 109.515 179.044 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 2.0 m -53.64 -40.2 65.64 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.125 0.417 . . . . 10.0 112.125 -179.349 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 128' ' ' LYS . . . . . 0.769 ' HD2' ' H ' ' C' ' 47' ' ' ASP . 36.9 mtmm -57.92 -50.21 74.13 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.467 0.543 . . . . 10.0 112.467 -178.586 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -70.33 -23.27 62.8 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.93 0.395 . . . . 10.0 111.339 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 130' ' ' ALA . . . . . 0.433 ' HA ' ' CZ ' ' B' ' 90' ' ' PHE . . . -73.09 -45.4 57.39 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.229 -0.656 . . . . 10.0 109.229 178.47 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 131' ' ' GLN . . . . . 0.624 ' HG3' ' HD2' ' B' ' 141' ' ' PHE . 17.8 mt-30 -68.71 -33.16 73.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.53 -0.759 . . . . 10.0 109.193 178.49 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -61.73 -41.85 98.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.449 -0.796 . . . . 10.0 110.321 178.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 23.6 tp -69.15 -35.7 76.62 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.01 0.433 . . . . 10.0 110.915 179.702 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.08 -20.94 66.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.789 -0.641 . . . . 10.0 111.772 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 135' ' ' ARG . . . . . 0.492 ' HD3' ' HG3' ' C' ' 161' ' ' ARG . 42.8 mtm105 -64.7 -36.83 85.53 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-O 120.814 0.34 . . . . 10.0 111.254 -179.675 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 136' ' ' SER . . . . . 0.409 ' HB3' ' HE3' ' C' ' 177' ' ' LYS . 2.0 m -69.67 -22.18 63.46 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.133 -0.485 . . . . 10.0 111.25 -179.733 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 137' ' ' TYR . . . . . 0.439 ' HB2' HG12 ' B' ' 139' ' ' ILE . 11.6 m-85 -93.19 -39.46 11.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.515 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 84.91 37.27 10.33 Favored Glycine 0 N--CA 1.449 -0.498 0 N-CA-C 110.64 -0.984 . . . . 10.0 110.64 -179.195 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 139' ' ' ILE . . . . . 0.439 HG12 ' HB2' ' B' ' 137' ' ' TYR . 25.2 pt -125.12 157.89 65.47 Favored Pre-proline 0 C--N 1.324 -0.511 0 N-CA-C 109.913 -0.402 . . . . 10.0 109.913 -179.629 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 140' ' ' PRO . . . . . 0.429 ' HD2' ' HB ' ' B' ' 139' ' ' ILE . 72.5 Cg_endo -77.94 144.95 21.95 Favored 'Trans proline' 0 CA--C 1.531 0.35 0 C-N-CA 122.63 2.22 . . . . 10.0 112.606 -179.65 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 141' ' ' PHE . . . . . 0.624 ' HD2' ' HG3' ' B' ' 131' ' ' GLN . 46.1 t80 -131.22 134.96 46.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 10.0 109.849 179.423 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 142' ' ' ILE . . . . . 0.594 HD11 ' HA ' ' B' ' 155' ' ' ALA . 5.5 pt -138.78 150.47 23.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.422 -0.354 . . . . 10.0 111.152 179.672 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -84.6 137.25 33.4 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.934 -0.765 . . . . 10.0 108.934 178.616 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 15.6 m -140.46 156.07 46.48 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.134 0.492 . . . . 10.0 111.589 -178.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 3.2 t -145.68 116.79 7.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.592 -0.731 . . . . 10.0 109.066 178.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 146' ' ' ALA . . . . . 0.517 ' HB2' HD23 ' B' ' 19' ' ' LEU . . . -74.56 -26.11 59.73 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.749 0.309 . . . . 10.0 110.23 179.717 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 147' ' ' LYS . . . . . 0.442 ' HB2' ' N1 ' ' B' ' 201' ' ' GSP . 78.4 tttt -63.76 -44.03 94.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.912 -0.586 . . . . 10.0 110.218 179.514 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 32.2 p -91.71 -16.7 26.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.423 0.63 . . . . 10.0 110.067 179.176 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 13.9 ttt-85 68.27 24.33 7.47 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 114.824 -1.08 . . . . 10.0 111.024 -179.632 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -96.93 125.75 41.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.708 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 89.99 -8.62 79.49 Favored Glycine 0 N--CA 1.452 -0.244 0 CA-C-N 115.929 -0.578 . . . . 10.0 112.926 179.463 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 77.5 t -57.68 -58.11 7.54 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-O 120.704 0.288 . . . . 10.0 111.67 -179.353 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.8 -44.34 94.01 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.255 -0.429 . . . . 10.0 111.284 -179.175 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -59.37 -37.14 77.18 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.979 -0.555 . . . . 10.0 112.255 -178.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 155' ' ' ALA . . . . . 0.594 ' HA ' HD11 ' B' ' 142' ' ' ILE . . . -60.26 -45.26 93.92 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.139 0.495 . . . . 10.0 110.487 179.287 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -69.27 -39.19 78.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.758 -0.656 . . . . 10.0 110.822 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -59.54 -46.14 89.75 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.403 0.62 . . . . 10.0 110.689 179.13 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 27.9 m -60.12 -41.71 93.21 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.525 -0.762 . . . . 10.0 111.644 -179.144 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 159' ' ' LEU . . . . . 0.446 HD22 ' HB2' ' B' ' 79' ' ' LEU . 23.3 tp -61.48 -38.42 87.19 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 120.9 0.381 . . . . 10.0 111.567 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 89.5 t -66.44 -41.65 89.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.265 0.555 . . . . 10.0 109.783 179.398 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 1.9 tpp180 -63.47 -35.46 80.51 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 115.251 -0.886 . . . . 10.0 110.12 179.315 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -65.47 -38.45 89.83 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.869 -0.605 . . . . 10.0 111.162 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 163' ' ' ILE . . . . . 0.431 ' O ' ' HG3' ' B' ' 167' ' ' LYS . 65.7 mt -65.34 -43.99 94.82 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 N-CA-C 109.385 -0.598 . . . . 10.0 109.385 178.823 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 164' ' ' ARG . . . . . 0.441 HH12 ' HB2' ' B' ' 47' ' ' ASP . 97.5 mtt180 -65.55 -32.46 74.07 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.677 -0.692 . . . . 10.0 109.886 179.119 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 165' ' ' LYS . . . . . 0.649 ' HB2' ' HD3' ' C' ' 135' ' ' ARG . 3.9 tmmm? -62.77 -49.48 74.81 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 108.868 -0.79 . . . . 10.0 108.868 178.461 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 166' ' ' HIS . . . . . 0.523 ' HB2' ' HG3' ' B' ' 110' ' ' PRO . 52.7 t-80 -58.37 -41.32 84.5 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.809 -0.632 . . . . 10.0 110.374 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 167' ' ' LYS . . . . . 0.431 ' HG3' ' O ' ' B' ' 163' ' ' ILE . 33.3 mtpt -62.54 -44.81 95.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.828 179.387 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -63.29 -41.73 99.01 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 109.71 -0.478 . . . . 10.0 109.71 179.04 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 5.1 mtpt -60.95 -40.04 91.8 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 115.693 -0.685 . . . . 10.0 110.421 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 69.5 mmm -76.0 -32.7 59.55 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.363 0.505 . . . . 10.0 112.363 -179.438 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 37.5 m -62.6 -33.45 75.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.044 0.449 . . . . 10.0 111.367 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -98.05 -37.6 9.69 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.0 -0.546 . . . . 10.0 111.168 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 173' ' ' ASP . . . . . 0.435 ' CG ' ' HA ' ' B' ' 178' ' ' LYS . 2.1 t70 60.48 -159.68 0.31 Allowed 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.894 -0.594 . . . . 10.0 111.003 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . -159.32 -93.18 0.09 OUTLIER Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.776 -0.726 . . . . 10.0 112.119 179.493 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 175' ' ' LYS . . . . . . . . . . . . . 11.6 mttm -134.73 -179.23 5.47 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.553 0.216 . . . . 10.0 110.62 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 176' ' ' LYS . . . . . 0.484 ' HE2' ' O5 ' ' C' ' 215' ' ' 17F . 79.4 tttt 69.31 -76.84 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.727 -0.669 . . . . 10.0 112.653 179.659 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 177' ' ' LYS . . . . . . . . . . . . . 23.0 mmtm -78.87 -69.11 0.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.238 0.459 . . . . 10.0 112.238 -178.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 178' ' ' LYS . . . . . 0.435 ' HA ' ' CG ' ' B' ' 173' ' ' ASP . 3.7 tppt? 55.09 63.09 2.23 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.433 0.635 . . . . 10.0 109.769 -178.43 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 179' ' ' LYS . . . . . . . . . . . . . 29.7 mmtt -71.05 144.6 50.33 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 113.09 0.774 . . . . 10.0 113.09 -177.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 180' ' ' LYS . . . . . 0.4 ' HB3' ' HE2' ' B' ' 180' ' ' LYS . 0.0 OUTLIER -98.52 151.13 20.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.156 -0.929 . . . . 10.0 110.011 179.704 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 69.9 m -127.54 171.05 11.96 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 116.596 -0.275 . . . . 10.0 110.589 179.512 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -71.62 169.5 15.41 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.981 179.632 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.07 -50.59 6.07 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.141 179.193 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 184' ' ' LYS . . . . . . . . . . . . . 36.8 mttp . . . . . 0 C--N 1.327 -0.41 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.297 178.71 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.889 0.376 . . . . 10.0 110.962 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 2' ' ' THR . . . . . 0.44 ' HB ' ' CE2' ' C' ' 4' ' ' TYR . 0.2 OUTLIER -93.94 125.01 38.31 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.737 -179.92 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 3' ' ' GLU . . . . . 0.448 ' HG3' HD23 ' C' ' 52' ' ' LEU . 6.7 tt0 -90.66 136.89 32.77 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.46 -0.336 . . . . 10.0 110.202 179.39 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 4' ' ' TYR . . . . . 0.44 ' CE2' ' HB ' ' C' ' 2' ' ' THR . 99.6 m-85 -129.94 121.19 26.11 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.8 -0.444 . . . . 10.0 109.8 179.458 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 48.1 mttm -91.55 111.43 22.93 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.967 0.413 . . . . 10.0 110.856 -179.551 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 6' ' ' LEU . . . . . 0.658 ' HB2' HG12 ' C' ' 55' ' ' ILE . 34.7 mt -113.85 129.08 56.63 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.646 -0.706 . . . . 10.0 110.296 -179.569 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 46.2 t -115.06 118.32 58.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-O 121.113 0.482 . . . . 10.0 110.734 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 10.9 t -84.21 119.05 32.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.978 -0.556 . . . . 10.0 109.517 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 31.2 m -114.43 151.69 16.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 116.319 -0.4 . . . . 10.0 110.832 -179.182 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 163.19 179.69 37.84 Favored Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 111.434 -0.667 . . . . 10.0 111.434 -179.647 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -86.56 -166.09 1.46 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.185 0.517 . . . . 10.0 111.938 -179.696 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.6 132.74 33.82 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.864 -0.607 . . . . 10.0 111.837 -179.592 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 77.27 17.28 79.62 Favored Glycine 0 N--CA 1.45 -0.383 0 CA-C-N 115.603 -0.726 . . . . 10.0 113.955 178.312 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 14' ' ' VAL . . . . . 0.6 HG23 ' HG3' ' C' ' 16' ' ' LYS . 16.2 m -79.6 -32.44 14.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 122.287 -0.537 . . . . 10.0 111.727 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.83 32.01 3.47 Favored Glycine 0 C--N 1.33 0.199 0 C-N-CA 120.654 -0.784 . . . . 10.0 113.599 179.198 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 16' ' ' LYS . . . . . 0.6 ' HG3' HG23 ' C' ' 14' ' ' VAL . 6.8 mtmp? -68.95 -45.37 70.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.67 0.748 . . . . 10.0 109.749 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 17' ' ' SER . . . . . 0.484 ' OG ' ' O3G' ' C' ' 201' ' ' GSP . 14.7 m -73.22 -38.75 65.95 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.484 -0.78 . . . . 10.0 111.1 -179.531 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.5 -42.06 70.34 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 19' ' ' LEU . . . . . 0.492 HD22 HG22 ' C' ' 152' ' ' VAL . 87.1 mt -72.08 -43.97 64.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.895 179.341 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 20' ' ' THR . . . . . 0.4 ' O ' HG12 ' C' ' 24' ' ' ILE . 9.7 m -66.54 -43.48 85.0 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.274 0.472 . . . . 10.0 112.274 -179.026 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.04 -35.39 71.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.942 0.401 . . . . 10.0 110.659 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 22' ' ' GLN . . . . . 0.636 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 7.0 mm-40 -68.0 -31.17 70.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.272 0.558 . . . . 10.0 109.879 178.764 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 5.4 tp -78.46 -43.11 27.99 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.646 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 24' ' ' ILE . . . . . 0.439 HD13 ' HD2' ' C' ' 42' ' ' LYS . 47.7 mm -75.34 -68.1 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 113.158 0.799 . . . . 10.0 113.158 -178.531 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -91.42 -17.52 25.66 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 113.185 0.809 . . . . 10.0 113.185 -177.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 26' ' ' ASN . . . . . 0.636 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 39.2 m-80 71.86 47.43 0.32 Allowed 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 114.377 1.251 . . . . 10.0 114.377 178.305 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 15.5 p80 -146.52 155.1 42.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 122.287 -0.258 . . . . 10.0 111.463 178.261 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -93.26 120.23 33.31 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.925 -0.58 . . . . 10.0 110.614 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 3.4 m -92.13 97.6 7.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.135 0.493 . . . . 10.0 110.954 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -71.69 -20.95 61.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.993 -0.549 . . . . 10.0 109.947 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -87.53 124.03 33.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.708 -0.678 . . . . 10.0 109.596 179.451 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 32' ' ' TYR . . . . . 0.931 ' HD1' H5'2 ' C' ' 201' ' ' GSP . 84.9 t80 -74.82 133.42 41.91 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.857 -0.337 . . . . 10.0 110.889 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -119.59 117.68 32.62 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.736 179.56 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_exo -76.14 75.59 4.14 Favored 'Trans proline' 0 N--CA 1.461 -0.427 0 C-N-CA 122.97 2.446 . . . . 10.0 109.948 178.698 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 35' ' ' THR . . . . . 0.447 ' OG1' ' O3G' ' C' ' 201' ' ' GSP . 4.3 m -60.1 136.59 58.07 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.48 -0.782 . . . . 10.0 112.655 -179.017 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 43.0 mm -96.04 -48.58 12.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 108.202 -1.036 . . . . 10.0 108.202 178.462 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -171.63 102.67 0.19 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.768 -1.106 . . . . 10.0 108.656 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -118.45 148.35 42.67 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.517 0.199 . . . . 10.0 110.662 -179.089 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 39' ' ' SER . . . . . 0.515 ' HB2' ' NH1' ' C' ' 41' ' ' ARG . 40.1 p -131.37 129.53 41.46 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.7 0.286 . . . . 10.0 110.914 179.588 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -120.85 142.14 49.93 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 110.156 -0.313 . . . . 10.0 110.156 -179.255 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 41' ' ' ARG . . . . . 0.515 ' NH1' ' HB2' ' C' ' 39' ' ' SER . 2.0 mpp_? -117.6 136.32 53.37 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.457 -0.338 . . . . 10.0 110.54 179.761 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 42' ' ' LYS . . . . . 0.439 ' HD2' HD13 ' C' ' 24' ' ' ILE . 51.3 tttp -146.02 139.11 25.87 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.745 -0.207 . . . . 10.0 110.554 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -115.19 107.64 15.57 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.968 -0.382 . . . . 10.0 109.968 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 10.2 m -129.65 174.25 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.075 0.464 . . . . 10.0 111.589 -179.205 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 21.9 t -105.86 116.24 49.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.426 -0.583 . . . . 10.0 109.426 178.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 46' ' ' ILE . . . . . 0.543 HD13 HG21 ' C' ' 160' ' ' VAL . 39.9 mt -122.54 121.16 62.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.902 -179.258 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 47' ' ' ASP . . . . . 0.769 ' H ' ' HD2' ' B' ' 128' ' ' LYS . 5.7 m-20 61.34 31.31 19.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.445 -0.798 . . . . 10.0 111.954 179.058 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.58 8.02 83.64 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.843 -0.694 . . . . 10.0 113.385 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 49' ' ' GLU . . . . . 0.423 ' HB3' ' NH2' ' C' ' 164' ' ' ARG . 29.7 tt0 -125.97 132.41 52.06 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.877 0.338 . . . . 10.0 110.9 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 1.3 m -74.15 128.73 36.3 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.367 -0.975 . . . . 10.0 108.367 178.67 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 51' ' ' CYS . . . . . 0.405 ' HB3' ' CD2' ' C' ' 4' ' ' TYR . 0.8 OUTLIER -130.79 149.66 52.32 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.256 0.55 . . . . 10.0 112.474 -178.155 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 52' ' ' LEU . . . . . 0.448 HD23 ' HG3' ' C' ' 3' ' ' GLU . 32.2 tp -106.52 102.4 11.79 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.191 -1.04 . . . . 10.0 108.191 178.023 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 83.6 mt -83.98 116.42 22.81 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.982 -0.553 . . . . 10.0 112.298 -178.005 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -106.5 91.24 3.61 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.024 -1.102 . . . . 10.0 108.024 178.223 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 55' ' ' ILE . . . . . 0.658 HG12 ' HB2' ' C' ' 6' ' ' LEU . 70.4 mt -101.62 131.69 48.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.444 -0.798 . . . . 10.0 112.051 -177.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 1.5 tt -114.8 135.45 54.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.837 -0.62 . . . . 10.0 110.004 179.392 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 57' ' ' ASP . . . . . 0.511 ' OD2' ' O3G' ' C' ' 201' ' ' GSP . 24.0 t0 -95.91 116.06 28.36 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.897 -0.592 . . . . 10.0 110.206 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 49.0 p -85.5 171.45 11.75 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.442 -0.799 . . . . 10.0 111.268 -179.108 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -107.35 110.7 22.76 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.071 178.59 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -85.46 39.56 3.01 Favored Glycine 0 CA--C 1.507 -0.42 0 C-N-CA 120.763 -0.732 . . . . 10.0 112.129 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -98.68 6.82 46.73 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.509 0.195 . . . . 10.0 111.13 -179.585 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 62' ' ' GLU . . . . . 0.644 ' HG3' ' H ' ' C' ' 63' ' ' GLU . 4.3 tp10 63.57 -162.91 0.27 Allowed 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.0 -0.545 . . . . 10.0 110.368 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 63' ' ' GLU . . . . . 0.644 ' H ' ' HG3' ' C' ' 62' ' ' GLU . 2.7 tt0 72.61 -43.08 0.55 Allowed 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 113.459 0.911 . . . . 10.0 113.459 179.588 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 64' ' ' TYR . . . . . 0.625 ' HB3' ' HB3' ' C' ' 67' ' ' MET . 68.6 m-85 -79.27 71.76 5.81 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.634 0.605 . . . . 10.0 112.634 -179.142 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.51 -33.66 54.32 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.3 0.571 . . . . 10.0 110.616 179.705 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -77.89 -37.82 47.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.792 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 67' ' ' MET . . . . . 0.625 ' HB3' ' HB3' ' C' ' 64' ' ' TYR . 44.5 ttp -66.96 -22.41 65.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.943 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 68' ' ' ARG . . . . . 0.471 ' HA ' ' CZ ' ' C' ' 71' ' ' TYR . 2.6 ttp180 -63.92 -41.92 97.53 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.113 -0.494 . . . . 10.0 111.646 -179.039 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -60.19 -33.66 72.53 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 116.091 -0.504 . . . . 10.0 111.506 -179.297 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -55.47 -66.27 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 113.173 0.805 . . . . 10.0 113.173 -177.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 71' ' ' TYR . . . . . 0.471 ' CZ ' ' HA ' ' C' ' 68' ' ' ARG . 13.8 p90 -69.93 -16.31 63.2 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 113.892 1.071 . . . . 10.0 113.892 -178.31 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 72' ' ' MET . . . . . 0.688 ' HA ' ' HZ ' ' C' ' 78' ' ' PHE . 44.7 mtt -74.85 -28.85 60.84 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.971 0.415 . . . . 10.0 111.17 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 75.0 mtt180 -78.18 -35.65 48.47 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.986 -0.552 . . . . 10.0 111.58 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.45 -22.01 25.21 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.208 -0.451 . . . . 10.0 112.128 -179.349 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -80.13 128.75 8.67 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.507 -0.854 . . . . 10.0 113.137 -179.267 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -89.77 -33.97 16.35 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.867 -0.42 . . . . 10.0 109.867 179.384 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -132.42 145.84 17.65 Favored Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 111.191 -0.764 . . . . 10.0 111.191 179.491 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 78' ' ' PHE . . . . . 0.807 ' HB2' ' HG2' ' C' ' 111' ' ' MET . 96.6 m-85 -121.52 134.54 55.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.266 0.555 . . . . 10.0 111.907 -179.105 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 79' ' ' LEU . . . . . 0.551 HD12 ' HB ' ' C' ' 112' ' ' VAL . 8.0 tp -105.62 102.5 11.95 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.661 -0.699 . . . . 10.0 109.367 178.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 80' ' ' CYS . . . . . 0.683 ' HB3' HD12 ' C' ' 93' ' ' ILE . 11.0 m -82.3 93.16 7.09 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.801 -179.697 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 81' ' ' VAL . . . . . 0.438 HG22 ' HB ' ' C' ' 114' ' ' VAL . 48.3 t -98.37 123.16 50.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.258 0.551 . . . . 10.0 111.159 -179.722 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -128.41 160.23 32.9 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.626 -0.716 . . . . 10.0 109.663 178.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 83' ' ' ALA . . . . . 0.43 ' HB1' ' OD1' ' C' ' 85' ' ' ASN . . . -99.1 127.02 44.97 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.999 -0.371 . . . . 10.0 109.999 -179.575 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 84' ' ' ILE . . . . . 0.659 ' CD1' ' HA ' ' C' ' 118' ' ' CYS . 24.8 pt -65.41 -18.1 23.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.286 -0.415 . . . . 10.0 111.702 -179.563 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 85' ' ' ASN . . . . . 0.43 ' OD1' ' HB1' ' C' ' 83' ' ' ALA . 11.7 p-10 -92.41 4.15 54.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.731 -0.668 . . . . 10.0 110.638 179.54 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -135.27 98.74 4.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.796 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -58.14 -36.01 72.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.739 -0.664 . . . . 10.0 112.133 -179.281 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -59.63 -39.92 85.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 10.0 112.038 -179.534 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 96.6 p -66.01 -24.69 66.81 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.973 0.416 . . . . 10.0 111.64 -179.321 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -74.9 -38.22 61.89 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.51 -0.552 . . . . 10.0 109.51 179.214 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -72.76 -33.35 66.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.679 -0.691 . . . . 10.0 110.291 179.323 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -58.23 -32.79 68.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.203 179.405 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 93' ' ' ILE . . . . . 0.683 HD12 ' HB3' ' C' ' 80' ' ' CYS . 47.1 mm -59.72 -40.8 83.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.001 -0.545 . . . . 10.0 111.26 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -59.84 -48.88 79.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.629 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -65.21 -37.81 88.46 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.719 -0.673 . . . . 10.0 111.151 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 6.8 m-30 -63.93 -45.28 89.93 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.029 -0.532 . . . . 10.0 111.191 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 97' ' ' ARG . . . . . 0.571 ' O ' ' HG3' ' C' ' 101' ' ' LYS . 20.1 ttt-85 -62.68 -42.97 99.91 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.674 -0.239 . . . . 10.0 111.193 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -58.58 -30.91 67.55 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 116.317 -0.402 . . . . 10.0 111.486 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -80.64 -39.86 26.63 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.393 -0.367 . . . . 10.0 110.578 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 96.7 mt -55.1 -44.79 75.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.057 179.667 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 101' ' ' LYS . . . . . 0.571 ' HG3' ' O ' ' C' ' 97' ' ' ARG . 18.9 mtmt -62.79 -30.53 71.53 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.41 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 26.6 ttm180 -77.05 -44.47 30.64 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.147 -0.478 . . . . 10.0 111.226 -179.115 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 25.0 t -69.63 -45.12 78.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.215 -0.448 . . . . 10.0 111.541 -179.408 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 104' ' ' LYS . . . . . 0.545 ' HD2' ' HE2' ' C' ' 78' ' ' PHE . 18.8 mtpp -82.64 -10.19 59.05 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.386 -0.37 . . . . 10.0 111.288 -179.558 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 21.7 t70 56.95 42.14 26.7 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.363 0.602 . . . . 10.0 111.448 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 17.0 m -153.39 133.23 13.16 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.679 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -74.81 -32.99 62.13 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.617 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -102.81 103.18 13.36 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.309 -0.405 . . . . 10.0 111.545 -179.499 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 45.5 t -129.9 135.01 26.83 Favored Pre-proline 0 C--N 1.328 -0.344 0 N-CA-C 108.899 -0.778 . . . . 10.0 108.899 179.522 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -58.8 108.42 0.41 Allowed 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.736 2.291 . . . . 10.0 112.233 179.674 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 111' ' ' MET . . . . . 0.807 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 53.6 mtm -137.05 152.84 50.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.807 -0.633 . . . . 10.0 110.192 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 112' ' ' VAL . . . . . 0.551 ' HB ' HD12 ' C' ' 79' ' ' LEU . 94.4 t -131.17 133.0 63.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 110.207 -0.294 . . . . 10.0 110.207 179.301 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 113' ' ' LEU . . . . . 0.401 ' O ' ' HA ' ' C' ' 141' ' ' PHE . 21.7 tp -91.55 122.95 34.59 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.364 -0.606 . . . . 10.0 109.364 179.472 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 114' ' ' VAL . . . . . 0.438 ' HB ' HG22 ' C' ' 81' ' ' VAL . 61.8 t -122.71 125.82 73.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-O 121.046 0.451 . . . . 10.0 111.453 -178.448 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -102.27 102.33 2.29 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 109.942 -1.263 . . . . 10.0 109.942 178.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -87.18 163.91 16.66 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.231 0.456 . . . . 10.0 112.231 -177.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 117' ' ' LYS . . . . . 0.621 ' HG2' ' C6 ' ' C' ' 201' ' ' GSP . 86.8 mttt 64.01 30.25 14.1 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.243 -0.89 . . . . 10.0 111.989 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 118' ' ' CYS . . . . . 0.659 ' HA ' ' CD1' ' C' ' 84' ' ' ILE . 1.3 m -69.51 -6.48 30.89 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 112.893 0.701 . . . . 10.0 112.893 -179.624 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -94.48 -5.21 46.66 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 120.741 -0.384 . . . . 10.0 110.245 178.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 120' ' ' LEU . . . . . 0.562 HD12 ' HB3' ' C' ' 117' ' ' LYS . 35.1 mt -82.65 138.94 43.82 Favored Pre-proline 0 C--O 1.234 0.252 0 N-CA-C 109.413 -0.588 . . . . 10.0 109.413 178.423 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -71.48 158.44 53.97 Favored 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 122.498 2.132 . . . . 10.0 113.162 -179.386 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 35.3 m 56.04 76.24 0.29 Allowed 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.126 -0.943 . . . . 10.0 113.189 179.267 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 123' ' ' ARG . . . . . 0.547 ' HB3' HD12 ' C' ' 84' ' ' ILE . 17.1 ptp180 -85.94 138.1 32.25 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.541 -0.3 . . . . 10.0 110.493 179.463 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -86.22 -33.37 20.77 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.096 0.474 . . . . 10.0 110.576 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 57.6 t -98.56 117.53 43.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.035 -0.529 . . . . 10.0 110.115 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -75.81 159.0 31.47 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.6 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.52 -44.72 70.45 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.321 -0.4 . . . . 10.0 110.758 -179.315 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 128' ' ' LYS . . . . . 0.41 ' HG3' ' H ' ' C' ' 129' ' ' GLN . 9.8 pttm -53.6 -52.62 59.22 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.737 -0.665 . . . . 10.0 112.624 -179.548 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 129' ' ' GLN . . . . . 0.41 ' H ' ' HG3' ' C' ' 128' ' ' LYS . 3.6 pt20 -62.13 -36.39 81.64 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.249 0.462 . . . . 10.0 112.249 -178.752 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -73.63 -43.1 60.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.153 0.501 . . . . 10.0 110.335 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 131' ' ' GLN . . . . . 0.465 ' HG3' ' HD2' ' C' ' 141' ' ' PHE . 3.2 mt-30 -66.08 -40.02 90.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.578 -0.737 . . . . 10.0 111.931 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -66.22 -41.12 90.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.753 0.311 . . . . 10.0 110.431 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 22.4 tp -62.53 -41.48 98.89 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.985 -0.746 . . . . 10.0 108.985 178.576 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -67.07 -35.04 78.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.711 -0.677 . . . . 10.0 109.636 178.643 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 135' ' ' ARG . . . . . 0.649 ' HD3' ' HB2' ' B' ' 165' ' ' LYS . 6.5 tmm_? -65.47 -43.4 90.4 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.4 -0.818 . . . . 10.0 110.37 179.301 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 18.2 m -58.67 -39.41 80.59 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.314 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -83.56 -33.89 25.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.081 -0.509 . . . . 10.0 111.043 -179.334 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 102.16 30.39 5.71 Favored Glycine 0 N--CA 1.454 -0.137 0 C-N-CA 120.913 -0.661 . . . . 10.0 112.705 179.314 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 49.1 pt -117.03 154.04 49.7 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-O 120.631 0.253 . . . . 10.0 110.839 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -80.16 155.19 22.45 Favored 'Trans proline' 0 CA--C 1.534 0.508 0 C-N-CA 122.551 2.168 . . . . 10.0 112.283 179.552 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 141' ' ' PHE . . . . . 0.465 ' HD2' ' HG3' ' C' ' 131' ' ' GLN . 39.7 t80 -126.85 124.33 39.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.48 179.527 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 50.2 mt -127.19 133.95 67.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.301 -0.409 . . . . 10.0 110.364 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -90.46 127.21 36.15 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.174 -0.676 . . . . 10.0 109.174 178.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 81.1 p -127.74 -178.68 4.59 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.565 0.698 . . . . 10.0 112.262 -178.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 1.9 t -170.5 126.33 0.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.805 -1.089 . . . . 10.0 108.824 178.72 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -66.93 -26.07 66.67 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.441 -0.345 . . . . 10.0 111.657 -178.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -80.21 -40.38 27.26 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 112.25 0.463 . . . . 10.0 112.25 -179.328 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 31.9 p -84.94 -23.36 28.84 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.38 0.511 . . . . 10.0 112.38 -178.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 149' ' ' ARG . . . . . 0.466 ' HG3' ' O ' ' C' ' 149' ' ' ARG . 13.0 tpt180 68.21 22.86 8.04 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 121.778 0.799 . . . . 10.0 110.1 -179.275 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -91.88 128.97 37.92 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.762 -0.654 . . . . 10.0 111.231 -179.523 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 72.59 -3.52 25.35 Favored Glycine 0 C--N 1.333 0.365 0 CA-C-N 115.891 -0.595 . . . . 10.0 114.307 178.17 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 152' ' ' VAL . . . . . 0.492 HG22 HD22 ' C' ' 19' ' ' LEU . 61.0 t -60.16 -51.82 68.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 111.971 0.36 . . . . 10.0 111.971 -178.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.0 -42.14 76.86 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.376 -179.231 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -67.06 -33.36 75.35 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.611 0.597 . . . . 10.0 112.611 -178.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -56.97 -47.2 81.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.947 0.403 . . . . 10.0 110.637 179.428 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -68.89 -39.54 79.68 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.62 179.496 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 3.8 m-30 -64.64 -37.14 86.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.914 -0.585 . . . . 10.0 111.243 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 97.3 m -62.38 -34.96 77.72 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.033 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 159' ' ' LEU . . . . . 0.509 ' HG ' HD22 ' C' ' 6' ' ' LEU . 12.5 tp -64.71 -30.78 71.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.469 0.652 . . . . 10.0 109.625 178.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 160' ' ' VAL . . . . . 0.543 HG21 HD13 ' C' ' 46' ' ' ILE . 21.8 t -73.34 -39.91 56.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.076 -0.713 . . . . 10.0 109.076 178.508 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 161' ' ' ARG . . . . . 0.492 ' HG3' ' HD3' ' B' ' 135' ' ' ARG . 0.7 OUTLIER -61.73 -46.28 90.31 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 115.715 -0.675 . . . . 10.0 110.196 179.217 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -62.38 -41.14 98.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.924 -0.58 . . . . 10.0 111.326 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 18.9 mt -62.22 -44.55 99.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.203 0.525 . . . . 10.0 109.835 178.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 164' ' ' ARG . . . . . 0.423 ' NH2' ' HB3' ' C' ' 49' ' ' GLU . 80.4 mtt180 -65.24 -40.75 94.47 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.719 -0.673 . . . . 10.0 110.431 179.058 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 165' ' ' LYS . . . . . 0.405 ' O ' ' HB2' ' C' ' 169' ' ' LYS . 20.4 ttpt -65.76 -43.04 90.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.508 179.654 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 29.3 t-80 -59.78 -56.37 22.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.954 -0.567 . . . . 10.0 110.879 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -59.78 -37.61 79.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 10.0 111.984 -179.052 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -70.49 -46.89 62.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.978 0.418 . . . . 10.0 111.011 179.291 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 169' ' ' LYS . . . . . 0.405 ' HB2' ' O ' ' C' ' 165' ' ' LYS . 0.0 OUTLIER -64.2 -31.64 72.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.494 . . . . 10.0 110.743 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 50.6 mmm -71.02 -30.51 66.75 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.235 -0.438 . . . . 10.0 110.747 179.419 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 69.8 m -67.34 -29.14 68.61 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.061 0.457 . . . . 10.0 110.17 179.33 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -100.14 -7.43 24.83 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 116.02 -0.536 . . . . 10.0 110.496 179.43 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 173' ' ' ASP . . . . . . . . . . . . . 29.5 t70 71.64 -56.24 0.64 Allowed 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 115.195 -0.911 . . . . 10.0 113.42 179.592 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . -123.92 -174.8 14.23 Favored Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.626 -0.797 . . . . 10.0 112.499 -179.004 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 175' ' ' LYS . . . . . . . . . . . . . 14.0 ptpt -91.78 106.56 18.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.187 0.518 . . . . 10.0 110.717 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 176' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -146.55 93.31 2.28 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.753 -0.658 . . . . 10.0 110.41 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 177' ' ' LYS . . . . . 0.669 ' HB3' HH12 ' B' ' 97' ' ' ARG . 4.5 tptp -124.15 38.6 4.16 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.044 -0.725 . . . . 10.0 109.044 179.335 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 178' ' ' LYS . . . . . . . . . . . . . 46.0 tttm -60.43 145.9 46.51 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.545 -0.752 . . . . 10.0 111.895 -179.047 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 179' ' ' LYS . . . . . 0.581 ' HB2' ' OE2' ' B' ' 98' ' ' GLU . 0.2 OUTLIER -124.42 161.49 25.9 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.733 179.926 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 180' ' ' LYS . . . . . 0.44 ' HB3' ' HE2' ' C' ' 180' ' ' LYS . 25.0 ttpt -82.63 119.17 23.94 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.794 -0.447 . . . . 10.0 109.794 179.194 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 16.3 m -134.16 160.88 36.46 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.727 -0.215 . . . . 10.0 110.537 -179.679 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 182' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.7 149.56 42.35 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 110.334 -0.247 . . . . 10.0 110.334 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -132.11 -83.09 0.5 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.055 179.63 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 184' ' ' LYS . . . . . . . . . . . . . 19.3 pttp . . . . . 0 C--O 1.237 0.418 0 CA-C-N 116.514 -0.312 . . . . 10.0 111.63 179.925 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 401' ' ' PCW . . . . . 1.142 ' H62' ' H2 ' ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 402' ' ' PCW . . . . . 0.976 H421 H132 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 403' ' ' PCW . . . . . 1.087 H472 H281 ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 404' ' ' PCW . . . . . 1.115 ' C16' H421 ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 405' ' ' PCW . . . . . 1.1 H361 H461 ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 406' ' ' PCW . . . . . 1.102 H381 H342 ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 407' ' ' PCW . . . . . 1.207 H212 ' C17' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 408' ' ' PCW . . . . . 0.987 ' H31' ' O3 ' ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 409' ' ' PCW . . . . . 1.204 ' C19' H142 ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 410' ' ' PCW . . . . . 1.024 H242 ' H74' ' A' ' 422' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 411' ' ' PCW . . . . . 1.1 H461 H361 ' A' ' 405' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 412' ' ' PCW . . . . . 0.9 H431 H182 ' C' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 413' ' ' PCW . . . . . 0.987 ' O3 ' ' H31' ' A' ' 408' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 414' ' ' PCW . . . . . 1.1 H122 ' H67' ' A' ' 415' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 415' ' ' 17F . . . . . 1.1 ' H67' H122 ' A' ' 414' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 416' ' ' 17F . . . . . 0.936 ' C42' ' H70' ' B' ' 209' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 417' ' ' PCW . . . . . 1.032 H283 H251 ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 418' ' ' PCW . . . . . 1.054 H382 H151 ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 419' ' ' PCW . . . . . 0.95 ' C40' H441 ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 420' ' ' PCW . . . . . 1.032 H251 H283 ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 421' ' ' PCW . . . . . 1.026 H122 ' H11' ' D' ' 630' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 422' ' ' 17F . . . . . 1.038 ' H4A' H132 ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 601' ' ' PCW . . . . . 0.938 H421 H461 ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 602' ' ' PCW . . . . . 1.113 H221 H172 ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 603' ' ' PCW . . . . . 1.098 ' H41' ' H2 ' ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 604' ' ' PCW . . . . . 1.075 ' H2 ' ' H82' ' D' ' 606' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 605' ' ' PCW . . . . . 1.061 H211 H382 ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 606' ' ' PCW . . . . . 1.103 H172 H212 ' D' ' 606' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 607' ' ' PCW . . . . . 1.04 H432 H472 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 608' ' ' PCW . . . . . 1.1 H232 H10A ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 609' ' ' PCW . . . . . 1.058 H171 H141 ' D' ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 610' ' ' PCW . . . . . 0.878 ' C11' ' H18' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 611' ' ' PCW . . . . . 1.055 H362 H421 ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 612' ' ' PCW . . . . . 1.091 ' C32' H352 ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 613' ' ' PCW . . . . . 1.054 H151 H382 ' A' ' 418' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 614' ' ' PCW . . . . . 1.061 H382 H211 ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 615' ' ' PCW . . . . . 1.066 H262 H431 ' A' ' 401' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 616' ' ' PCW . . . . . 0.989 ' C47' H222 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 617' ' ' PCW . . . . . 1.108 ' H39' H162 ' D' ' 619' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 618' ' ' PCW . . . . . 1.084 H461 ' H19' ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 619' ' ' PCW . . . . . 1.108 H162 ' H39' ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 620' ' ' PCW . . . . . 0.943 H141 H421 ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 621' ' ' PCW . . . . . 1.024 H141 ' O9 ' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 622' ' ' PCW . . . . . 1.038 H132 ' H4A' ' A' ' 422' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 623' ' ' PCW . . . . . 1.093 H322 ' C36' ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 624' ' ' PCW . . . . . 0.978 H242 H242 ' C' ' 217' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 625' ' ' PCW . . . . . 1.041 ' H19' H151 ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 626' ' ' PCW . . . . . 1.054 ' H19' ' H73' ' D' ' 606' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 627' ' ' PCW . . . . . 1.091 ' H20' ' C35' ' C' ' 217' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 628' ' ' 17F . . . . . 1.1 H10A H232 ' D' ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 629' ' ' 17F . . . . . 1.084 ' H50' ' H19' ' D' ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 630' ' ' 17F . . . . . 1.026 ' H11' H122 ' A' ' 421' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 631' ' ' 17F . . . . . 1.003 ' H5 ' ' H19' ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 632' ' ' 17F . . . . . 1.024 ' O9 ' H141 ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 201' ' ' GSP . . . . . 0.891 H5'1 ' HA2' ' B' ' 13' ' ' GLY . . . . . . . . 0 O4'--C1' 1.439 2.089 2 O4'-C1'-N19 113.546 5.346 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 202' ' ' ' MG' . . . . . 0.629 'MG ' ' O3G' ' B' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 203' ' ' PCW . . . . . 1.085 ' C5 ' H331 ' C' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 204' ' ' PCW . . . . . 1.027 H442 H462 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 205' ' ' PCW . . . . . 1.092 H212 H282 ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 206' ' ' PCW . . . . . 0.895 H142 H372 ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 207' ' ' PCW . . . . . 1.142 ' H2 ' ' H62' ' A' ' 401' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 208' ' ' PCW . . . . . 1.11 H351 ' H20' ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 209' ' ' 17F . . . . . 1.059 ' H57' H19A ' B' ' 209' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 210' ' ' 17F . . . . . 1.051 ' H12' ' H41' ' B' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 211' ' ' 17F . . . . . 1.096 ' H31' H222 ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 201' ' ' GSP . . . . . 0.931 H5'2 ' HD1' ' C' ' 32' ' ' TYR . . . . . . . . 0 O4'--C1' 1.438 2.019 2 O4'-C1'-N19 113.894 5.694 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 202' ' ' ' MG' . . . . . 0.607 'MG ' ' O3G' ' C' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 203' ' ' PCW . . . . . 1.11 ' H20' H351 ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 204' ' ' PCW . . . . . 1.102 H342 H381 ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 205' ' ' PCW . . . . . 1.088 H471 ' H38' ' C' ' 215' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 206' ' ' PCW . . . . . 1.067 H371 H141 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 207' ' ' PCW . . . . . 0.995 H161 H20A ' C' ' 213' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 208' ' ' PCW . . . . . 1.067 H141 H371 ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 209' ' ' PCW . . . . . 1.115 H422 H271 ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 210' ' ' PCW . . . . . 1.038 H261 H221 ' C' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 211' ' ' PCW . . . . . 1.115 H282 ' H78' ' C' ' 215' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 212' ' ' PCW . . . . . 1.115 H271 H422 ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 213' ' ' 17F . . . . . 0.995 H20A H161 ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 214' ' ' 17F . . . . . 1.011 ' H4 ' ' C4 ' ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 215' ' ' 17F . . . . . 1.115 ' H78' H282 ' C' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 216' ' ' PCW . . . . . 1.008 ' H51' ' O2P' ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 217' ' ' PCW . . . . . 1.091 ' C35' ' H20' ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 218' ' ' 17F . . . . . 0.966 ' H36' H381 ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 219' ' ' 17F . . . . . 0.974 ' H32' H141 ' C' ' 217' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 59.5 mt . . . . . 0 CA--C 1.519 -0.212 0 CA-C-O 120.975 0.417 . . . . 10.0 110.511 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 9.2 tmtm? -60.41 -48.49 81.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.635 -0.711 . . . . 10.0 111.349 -179.461 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 95.5 mt -67.76 -38.39 83.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.755 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 51.2 mt -65.34 -43.59 90.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.166 0.508 . . . . 10.0 111.209 -179.696 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -61.72 -39.61 92.12 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.826 -0.625 . . . . 10.0 111.17 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -78.95 -22.54 45.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.112 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 81.8 t90 -71.83 -40.03 69.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.198 179.462 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -61.8 -35.26 77.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.406 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.68 -45.37 94.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.873 -0.603 . . . . 10.0 110.225 179.327 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 39.1 t -66.92 -39.38 83.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.371 -0.603 . . . . 10.0 109.371 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 31.3 m -60.98 -46.53 90.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.655 -0.702 . . . . 10.0 110.943 179.209 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 2.4 p -68.58 -28.28 66.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.025 0.441 . . . . 10.0 110.65 179.239 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 94.0 m -67.3 -43.43 81.71 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 108.625 -0.879 . . . . 10.0 108.625 177.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -60.32 -43.63 96.2 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 115.732 -0.667 . . . . 10.0 110.111 178.589 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 215' ' ' SER . . . . . 0.532 ' O ' ' HG3' ' A' ' 219' ' ' GLU . 12.9 m -56.03 -54.1 48.94 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.78 179.326 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 22.5 mmtp -61.31 -40.74 95.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.352 -0.385 . . . . 10.0 111.668 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 67.6 mt -65.86 -35.41 80.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.348 -0.387 . . . . 10.0 111.055 179.629 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 55.7 mtt180 -73.48 -35.1 65.63 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 116.645 -0.252 . . . . 10.0 110.951 179.348 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 219' ' ' GLU . . . . . 0.532 ' HG3' ' O ' ' A' ' 215' ' ' SER . 33.9 mt-10 -65.64 -34.17 77.6 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.498 -0.927 . . . . 10.0 108.498 178.046 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 220' ' ' GLN . . . . . 0.437 ' O ' HG23 ' A' ' 224' ' ' VAL . 7.7 tp-100 -77.91 -30.83 50.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.326 -0.852 . . . . 10.0 109.881 179.004 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 10.6 mt -56.24 -34.62 66.51 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.883 -0.599 . . . . 10.0 111.323 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -56.41 -69.79 1.17 Allowed Glycine 0 C--N 1.333 0.384 0 N-CA-C 111.01 -0.836 . . . . 10.0 111.01 178.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -51.91 -40.92 65.85 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.697 2.264 . . . . 10.0 111.534 177.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 224' ' ' VAL . . . . . 0.649 HG22 ' HD3' ' D' ' 550' ' ' LYS . 56.1 t -55.98 -56.1 14.65 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 O-C-N 123.069 0.231 . . . . 10.0 111.152 179.292 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 225' ' ' THR . . . . . 0.427 ' O ' ' HB2' ' A' ' 229' ' ' TRP . 9.2 p -63.57 -38.33 90.72 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 120.929 -0.308 . . . . 10.0 110.923 -179.706 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -61.78 -47.29 85.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.375 -0.375 . . . . 10.0 111.047 179.265 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -70.71 -40.89 72.56 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 120.97 0.414 . . . . 10.0 110.877 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -64.25 -44.99 90.09 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.893 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 229' ' ' TRP . . . . . 0.427 ' HB2' ' O ' ' A' ' 225' ' ' THR . 1.1 m-90 -67.19 -34.57 77.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.423 179.369 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -62.25 -50.85 70.1 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.821 -0.437 . . . . 10.0 109.821 178.503 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 231' ' ' ASN . . . . . 0.586 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 43.7 m-80 -63.77 -35.4 80.48 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.185 -0.672 . . . . 10.0 109.185 178.598 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 6.0 mt -62.65 -40.08 95.9 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.675 -0.693 . . . . 10.0 109.917 178.632 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -63.59 -41.26 98.35 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-N 116.122 -0.49 . . . . 10.0 109.907 179.068 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 234' ' ' LYS . . . . . 0.586 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 66.6 mttt -64.99 -41.97 94.93 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.254 -0.647 . . . . 10.0 109.254 178.622 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.54 -48.08 83.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.081 -0.963 . . . . 10.0 110.051 178.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 236' ' ' THR . . . . . 0.481 ' O ' ' HG3' ' A' ' 240' ' ' ARG . 1.0 OUTLIER -70.57 -34.49 72.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.077 -0.511 . . . . 10.0 111.146 179.558 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -61.03 -43.62 98.62 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.261 -0.644 . . . . 10.0 109.261 178.367 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -61.68 -42.29 99.73 Favored Glycine 0 N--CA 1.448 -0.549 0 N-CA-C 109.975 -1.25 . . . . 10.0 109.975 178.096 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 94.0 mt -65.37 -33.64 76.43 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-O 120.762 0.315 . . . . 10.0 110.692 178.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 240' ' ' ARG . . . . . 0.481 ' HG3' ' O ' ' A' ' 236' ' ' THR . 42.1 mtt180 -67.89 -46.73 70.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.981 0.42 . . . . 10.0 110.279 178.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -65.62 -41.19 92.98 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 121.451 0.644 . . . . 10.0 109.292 179.236 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -70.32 -20.73 62.98 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.45 -0.796 . . . . 10.0 111.003 179.454 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 37.3 ttm -62.76 -30.65 71.6 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.967 -0.753 . . . . 10.0 108.967 178.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 244' ' ' SER . . . . . 0.89 ' HA ' ' HG3' ' A' ' 248' ' ' GLU . 19.0 m -73.69 1.56 10.02 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.434 -0.803 . . . . 10.0 110.337 178.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -124.25 -62.91 1.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.734 -0.667 . . . . 10.0 109.279 178.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 246' ' ' ASP . . . . . 0.672 ' HA ' ' CZ ' ' D' ' 528' ' ' ARG . 7.9 t70 -50.37 -49.72 53.47 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.442 -0.799 . . . . 10.0 112.616 -178.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 247' ' ' LEU . . . . . 0.502 ' O ' HG12 ' A' ' 250' ' ' VAL . 35.5 mt -91.01 -38.61 12.71 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.664 0.616 . . . . 10.0 112.664 -179.267 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 248' ' ' GLU . . . . . 0.89 ' HG3' ' HA ' ' A' ' 244' ' ' SER . 3.2 mm-40 -65.29 -45.06 85.94 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 111.934 0.346 . . . . 10.0 111.934 -179.121 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -69.66 -38.83 77.25 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 121.142 -0.223 . . . . 10.0 110.537 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 250' ' ' VAL . . . . . 0.621 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 2.8 p -63.46 -34.42 67.3 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.188 0 C-N-CA 120.968 -0.293 . . . . 10.0 111.011 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -80.97 -32.82 34.22 Favored 'General case' 0 N--CA 1.456 -0.144 0 CA-C-O 120.918 0.389 . . . . 10.0 110.761 179.127 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -69.27 -38.95 78.64 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.325 -0.62 . . . . 10.0 109.325 179.02 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -86.61 -16.89 35.32 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.72 -0.673 . . . . 10.0 111.105 179.14 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 254' ' ' VAL . . . . . 0.621 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.3 OUTLIER -61.93 -25.72 38.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.831 0.348 . . . . 10.0 110.654 179.702 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 255' ' ' GLN . . . . . 0.57 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 27.0 mt-30 -63.96 -64.48 2.81 Favored Pre-proline 0 N--CA 1.448 -0.539 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.337 179.099 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 256' ' ' PRO . . . . . 0.57 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 33.9 Cg_endo -66.57 -30.89 42.38 Favored 'Trans proline' 0 C--N 1.359 1.109 0 C-N-CA 121.85 1.7 . . . . 10.0 112.276 178.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 4.5 m-30 -63.52 -57.37 10.41 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.175 0.512 . . . . 10.0 110.406 179.603 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 55.9 mt -67.92 -34.19 76.14 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.762 -0.654 . . . . 10.0 111.262 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -64.59 -36.38 84.05 Favored 'General case' 0 CA--C 1.52 -0.178 0 O-C-N 123.211 0.319 . . . . 10.0 110.454 179.304 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -64.91 -52.62 55.44 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 121.292 0.568 . . . . 10.0 109.908 178.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 261' ' ' PHE . . . . . 0.402 ' O ' ' HB2' ' A' ' 265' ' ' TRP . 21.9 m-85 -64.09 -34.54 78.27 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.651 -0.704 . . . . 10.0 110.641 178.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -66.83 -46.82 73.92 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.806 -0.442 . . . . 10.0 109.806 178.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -61.42 -46.22 91.02 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.65 -0.704 . . . . 10.0 109.64 179.397 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 264' ' ' LYS . . . . . 0.738 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 55.4 mttt -66.1 -37.49 85.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.721 -0.672 . . . . 10.0 110.627 178.726 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 265' ' ' TRP . . . . . 0.402 ' HB2' ' O ' ' A' ' 261' ' ' PHE . 0.4 OUTLIER -62.4 -40.03 95.18 Favored 'General case' 0 CA--C 1.516 -0.363 0 N-CA-C 109.276 -0.639 . . . . 10.0 109.276 178.122 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -62.51 -39.39 93.36 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.671 -0.695 . . . . 10.0 109.38 178.449 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -68.72 -45.66 70.98 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.01 -0.541 . . . . 10.0 109.564 178.398 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 268' ' ' GLU . . . . . 0.439 ' O ' ' HB2' ' A' ' 272' ' ' TYR . 16.6 mt-10 -57.96 -48.03 81.16 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 115.975 -0.557 . . . . 10.0 109.829 179.142 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 59.7 mmm -64.23 -41.31 97.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.371 -0.832 . . . . 10.0 110.712 179.13 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -60.06 -49.22 78.52 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.04 179.649 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 59.5 mt -65.27 -43.43 91.25 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.621 -0.718 . . . . 10.0 110.006 179.211 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 272' ' ' TYR . . . . . 0.439 ' HB2' ' O ' ' A' ' 268' ' ' GLU . 0.4 OUTLIER -57.91 -43.49 86.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.657 179.681 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 273' ' ' ARG . . . . . 0.43 ' HA ' HG12 ' A' ' 276' ' ' VAL . 81.9 mtt180 -69.61 -42.85 73.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.099 -0.5 . . . . 10.0 110.34 178.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.78 -23.34 67.32 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.812 -0.631 . . . . 10.0 111.161 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 275' ' ' LYS . . . . . 0.937 ' HG2' HD21 ' D' ' 499' ' ' LEU . 12.1 mptt -94.53 -40.41 9.88 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 116.371 -0.377 . . . . 10.0 111.09 179.148 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 276' ' ' VAL . . . . . 0.43 HG12 ' HA ' ' A' ' 273' ' ' ARG . 3.2 p -56.86 -28.13 27.74 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 N-CA-C 112.573 0.582 . . . . 10.0 112.573 -179.211 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 277' ' ' GLU . . . . . 0.54 ' HB2' ' HD3' ' A' ' 278' ' ' PRO . 2.7 mt-10 -68.16 -63.13 2.62 Favored Pre-proline 0 CA--C 1.537 0.457 0 N-CA-C 111.881 0.326 . . . . 10.0 111.881 179.74 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 278' ' ' PRO . . . . . 0.54 ' HD3' ' HB2' ' A' ' 277' ' ' GLU . 42.9 Cg_endo -69.17 -39.04 8.19 Favored 'Trans proline' 0 C--N 1.353 0.799 0 C-N-CA 121.913 1.742 . . . . 10.0 112.783 179.246 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 279' ' ' LEU . . . . . 0.536 ' HB3' ' HE3' ' D' ' 495' ' ' LYS . 40.4 mt -62.27 -46.02 90.69 Favored 'General case' 0 C--N 1.333 -0.136 0 N-CA-C 111.716 0.265 . . . . 10.0 111.716 -179.228 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 23.2 ttm180 -66.95 -32.02 72.98 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 179.015 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -63.27 -43.47 97.87 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.812 -0.81 . . . . 10.0 108.812 178.195 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -62.26 -42.18 99.1 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.123 -0.695 . . . . 10.0 109.123 178.077 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 283' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 279' ' ' LEU . 95.4 mt -64.24 -39.47 94.02 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.389 -0.823 . . . . 10.0 110.458 179.272 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -64.33 -53.75 43.79 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 120.905 0.384 . . . . 10.0 110.458 179.42 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -63.25 -36.75 84.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.893 -0.594 . . . . 10.0 110.376 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -68.64 -39.23 86.55 Favored Glycine 0 N--CA 1.445 -0.742 0 N-CA-C 110.392 -1.083 . . . . 10.0 110.392 178.532 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -65.11 -45.49 84.91 Favored 'General case' 0 CA--C 1.515 -0.379 0 N-CA-C 109.126 -0.694 . . . . 10.0 109.126 178.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 288' ' ' ARG . . . . . 0.429 ' O ' ' HB2' ' A' ' 292' ' ' HIS . 93.4 mtt180 -62.01 -34.53 76.37 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.782 -0.451 . . . . 10.0 109.782 179.084 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -68.4 -49.46 59.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.73 -0.668 . . . . 10.0 109.909 179.318 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -65.13 -45.11 86.4 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.838 -0.619 . . . . 10.0 110.748 179.558 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 69.0 mt -63.86 -31.19 72.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.193 179.162 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 292' ' ' HIS . . . . . 0.429 ' HB2' ' O ' ' A' ' 288' ' ' ARG . 0.2 OUTLIER -61.4 -55.49 30.9 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.993 -0.743 . . . . 10.0 108.993 178.606 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.38 -33.58 75.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.753 179.472 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 59.6 mt -66.0 -50.6 63.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.271 -0.422 . . . . 10.0 109.948 178.66 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -63.88 -31.06 72.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.972 0.415 . . . . 10.0 110.512 179.15 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -67.93 -10.34 52.55 Favored 'General case' 0 C--O 1.225 -0.185 0 CA-C-N 115.899 -0.592 . . . . 10.0 110.995 178.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 297' ' ' LYS . . . . . 0.5 ' HA ' ' HD3' ' A' ' 297' ' ' LYS . 16.7 mmtp -116.35 -26.83 7.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.242 178.346 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 48.0 mt -65.7 -38.92 90.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.38 -0.373 . . . . 10.0 111.282 179.451 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 299' ' ' SER . . . . . 0.448 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 19.4 m -72.98 -61.52 1.52 Allowed Pre-proline 0 C--N 1.324 -0.529 0 N-CA-C 113.015 0.746 . . . . 10.0 113.015 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 300' ' ' PRO . . . . . 0.448 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 32.4 Cg_endo -64.44 -53.74 0.99 Allowed 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 122.028 1.818 . . . . 10.0 112.944 -179.285 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 301' ' ' LEU . . . . . 0.498 ' HB2' ' O ' ' A' ' 297' ' ' LYS . 94.6 mt -67.98 -30.41 69.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.672 0.273 . . . . 10.0 110.708 -179.746 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -69.64 -44.52 63.11 Favored Glycine 0 N--CA 1.451 -0.364 0 N-CA-C 109.879 -1.289 . . . . 10.0 109.879 178.155 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -60.58 -43.71 97.02 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 108.509 -0.923 . . . . 10.0 108.509 178.307 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.26 -43.65 94.21 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.073 -0.967 . . . . 10.0 110.049 179.257 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 305' ' ' MET . . . . . 0.532 ' HB2' ' HE2' ' D' ' 473' ' ' LYS . 28.1 ttt -61.65 -35.62 78.46 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.082 0.468 . . . . 10.0 110.001 179.389 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -68.52 -38.73 81.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.959 -0.564 . . . . 10.0 109.796 178.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 307' ' ' ASP . . . . . 0.52 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 21.8 t70 -72.03 -38.82 69.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.942 -0.572 . . . . 10.0 109.904 179.006 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -64.47 -35.34 80.61 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.694 -0.854 . . . . 10.0 108.694 178.004 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -64.25 -33.52 75.99 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 115.603 -0.726 . . . . 10.0 109.08 178.39 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 310' ' ' ARG . . . . . 0.52 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 89.1 mtt180 -59.01 -49.98 75.83 Favored 'General case' 0 CA--C 1.519 -0.236 0 N-CA-C 109.118 -0.697 . . . . 10.0 109.118 178.286 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -67.58 -40.55 84.83 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.236 179.398 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -54.35 -51.79 63.63 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 115.766 -0.652 . . . . 10.0 109.925 178.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 61.6 t -75.7 -34.55 28.91 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.262 0 CA-C-N 115.757 -0.656 . . . . 10.0 111.541 -179.632 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 314' ' ' ASP . . . . . 0.446 ' HA ' ' CZ ' ' A' ' 317' ' ' ARG . 7.4 t70 -60.19 -47.89 84.05 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.968 0.413 . . . . 10.0 110.053 179.549 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -61.86 -37.81 85.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.748 -0.66 . . . . 10.0 109.552 178.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 32.4 mt -67.57 -46.06 73.75 Favored 'General case' 0 C--O 1.225 -0.211 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.204 178.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 317' ' ' ARG . . . . . 0.446 ' CZ ' ' HA ' ' A' ' 314' ' ' ASP . 18.4 mtm105 -59.25 -46.84 87.42 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 120.918 0.39 . . . . 10.0 110.534 179.44 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 2.9 m -67.05 -16.07 64.12 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 121.358 0.599 . . . . 10.0 111.366 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 6.8 m80 -96.04 -43.11 7.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.912 0.387 . . . . 10.0 110.496 179.175 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 91.7 mt -67.97 -32.5 72.96 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.858 -0.61 . . . . 10.0 111.688 -179.183 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -54.16 -60.57 7.16 Favored Pre-proline 0 CA--C 1.539 0.538 0 N-CA-C 112.255 0.465 . . . . 10.0 112.255 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -69.12 -33.21 19.56 Favored 'Trans proline' 0 C--N 1.352 0.732 0 C-N-CA 121.512 1.474 . . . . 10.0 111.409 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 6.5 m-30 -61.94 -50.17 73.22 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 116.244 -0.435 . . . . 10.0 111.081 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 29.1 p -65.95 -39.64 90.63 Favored 'General case' 0 C--O 1.233 0.2 0 O-C-N 123.324 0.39 . . . . 10.0 110.754 -179.618 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 325' ' ' ASP . . . . . 0.717 ' HA ' ' HD2' ' A' ' 328' ' ' ARG . 14.0 t0 -59.98 -44.32 94.55 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.966 179.813 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -78.89 -24.37 44.22 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.176 -0.465 . . . . 10.0 110.239 179.044 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 23.8 tp -65.17 -34.31 78.07 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 107.877 -1.157 . . . . 10.0 107.877 177.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 328' ' ' ARG . . . . . 0.717 ' HD2' ' HA ' ' A' ' 325' ' ' ASP . 73.2 mtt180 -62.58 -38.52 90.43 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 108.503 -0.925 . . . . 10.0 108.503 178.113 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -68.78 -42.99 76.64 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 115.459 -0.791 . . . . 10.0 109.196 178.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 330' ' ' ARG . . . . . 0.819 HH21 ' HB3' ' D' ' 447' ' ' GLU . 9.8 mtt-85 -59.58 -48.26 82.34 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-N 115.563 -0.744 . . . . 10.0 109.668 178.831 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 93.7 mt -61.38 -44.11 97.71 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.501 -0.772 . . . . 10.0 110.116 179.286 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -61.24 -44.45 97.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.496 . . . . 10.0 110.339 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -58.75 -44.65 90.62 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.91 0.385 . . . . 10.0 110.457 179.297 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 58.9 mtt-85 -66.94 -45.56 77.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.788 -0.642 . . . . 10.0 110.304 179.053 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 36.2 mt -60.92 -41.52 96.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.901 -0.59 . . . . 10.0 111.663 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -64.52 -45.24 88.05 Favored 'General case' 0 C--O 1.232 0.159 0 N-CA-C 109.778 -0.453 . . . . 10.0 109.778 179.007 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -63.05 -50.26 71.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.712 -0.677 . . . . 10.0 110.034 179.454 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 338' ' ' LEU . . . . . 0.468 ' O ' ' HA3' ' A' ' 342' ' ' GLY . 75.0 mt -66.94 -13.15 61.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.053 -0.521 . . . . 10.0 112.287 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 60.7 tttt -89.7 -48.2 7.43 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.857 -0.423 . . . . 10.0 109.857 178.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -69.91 -52.63 23.04 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.783 -0.451 . . . . 10.0 109.783 179.386 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -68.22 -36.52 79.64 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.135 -0.691 . . . . 10.0 109.135 178.681 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 342' ' ' GLY . . . . . 0.468 ' HA3' ' O ' ' A' ' 338' ' ' LEU . . . -64.96 -40.25 97.04 Favored Glycine 0 N--CA 1.443 -0.866 0 N-CA-C 110.975 -0.85 . . . . 10.0 110.975 179.159 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -63.81 -37.58 94.89 Favored Glycine 0 N--CA 1.451 -0.344 0 N-CA-C 110.216 -1.153 . . . . 10.0 110.216 178.688 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -65.98 -41.88 90.55 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 108.923 -0.769 . . . . 10.0 108.923 178.34 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 39.4 mtm180 -63.05 -43.91 97.34 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 115.72 -0.673 . . . . 10.0 109.982 178.519 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 54.0 mt -61.83 -45.3 94.4 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.67 179.366 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -63.1 -43.52 98.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.984 -0.553 . . . . 10.0 109.67 178.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 348' ' ' GLU . . . . . 0.586 ' HB3' ' HE2' ' A' ' 352' ' ' LYS . 22.8 mt-10 -62.62 -47.67 82.74 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 115.653 -0.703 . . . . 10.0 109.976 178.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -60.21 -32.28 70.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.384 -0.371 . . . . 10.0 110.743 179.394 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -62.9 -50.01 72.57 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.044 -0.724 . . . . 10.0 109.044 178.158 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -63.7 -44.19 94.4 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.586 -0.734 . . . . 10.0 110.185 179.459 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 352' ' ' LYS . . . . . 0.586 ' HE2' ' HB3' ' A' ' 348' ' ' GLU . 19.8 mttm -59.47 -47.26 86.16 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 123.527 0.517 . . . . 10.0 110.05 178.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 353' ' ' ALA . . . . . 0.484 ' O ' ' HG ' ' A' ' 357' ' ' LEU . . . -63.3 -34.62 78.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.565 179.77 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 72.0 m -63.22 -48.09 79.75 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 109.348 -0.612 . . . . 10.0 109.348 179.035 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -63.78 -35.17 79.72 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 109.774 -0.454 . . . . 10.0 109.774 179.006 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 356' ' ' HIS . . . . . 0.688 ' CB ' ' H20' ' A' ' 401' ' ' PCW . 10.1 m-70 -64.56 -38.64 91.71 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.825 -0.625 . . . . 10.0 109.411 178.317 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 357' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 353' ' ' ALA . 92.4 mt -69.43 -38.24 77.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.037 -0.529 . . . . 10.0 109.995 179.079 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 11.8 m -61.9 -44.55 96.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.106 178.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 1.5 p -74.77 -27.06 60.17 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.012 -0.54 . . . . 10.0 110.175 179.192 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 26.9 tp -70.69 -30.14 66.63 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.14 -0.689 . . . . 10.0 109.14 178.336 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 21.8 m -66.66 -28.71 68.68 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.685 -0.689 . . . . 10.0 109.422 178.361 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 362' ' ' GLU . . . . . 0.426 ' O ' ' HD2' ' A' ' 366' ' ' PRO . 3.0 mm-40 -71.38 -22.29 61.9 Favored 'General case' 0 C--O 1.227 -0.117 0 N-CA-C 108.721 -0.844 . . . . 10.0 108.721 178.25 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 363' ' ' LYS . . . . . 0.671 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 94.5 mttt -93.13 -27.81 16.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.398 -0.819 . . . . 10.0 110.005 179.125 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 364' ' ' ALA . . . . . 0.451 ' O ' ' HB2' ' A' ' 368' ' ' LEU . . . -79.97 -41.41 25.99 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.515 -0.766 . . . . 10.0 111.83 -179.539 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 365' ' ' LYS . . . . . 1.061 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 78.0 mttt -92.27 -74.35 0.04 OUTLIER Pre-proline 0 C--N 1.322 -0.628 0 N-CA-C 112.944 0.72 . . . . 10.0 112.944 -179.686 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 366' ' ' PRO . . . . . 1.061 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 37.6 Cg_exo -61.61 -53.06 2.5 Favored 'Trans proline' 0 C--N 1.355 0.911 0 C-N-CA 122.456 2.104 . . . . 10.0 113.387 -178.494 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 367' ' ' ALA . . . . . 0.671 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -57.34 -51.81 67.89 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.215 0.45 . . . . 10.0 112.215 -179.092 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 368' ' ' LEU . . . . . 0.451 ' HB2' ' O ' ' A' ' 364' ' ' ALA . 16.5 mt -63.18 -37.42 87.14 Favored 'General case' 0 C--N 1.334 -0.081 0 C-N-CA 121.175 -0.21 . . . . 10.0 110.834 179.437 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -63.13 -52.81 61.06 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 110.167 -0.308 . . . . 10.0 110.167 178.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.66 -35.98 79.53 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.219 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 33.2 tp -66.17 -45.05 82.28 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.84 -0.618 . . . . 10.0 110.305 179.09 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 65.6 mtt180 -67.39 -36.89 82.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.825 0.345 . . . . 10.0 110.363 179.457 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -63.83 -20.99 66.22 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.182 178.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -98.8 -36.08 4.64 Favored Glycine 0 N--CA 1.443 -0.892 0 N-CA-C 111.406 -0.678 . . . . 10.0 111.406 179.156 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 20.3 mt -66.34 -40.23 89.7 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.61 0.226 . . . . 10.0 111.61 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 376' ' ' LEU . . . . . 0.585 ' O ' ' HG3' ' A' ' 380' ' ' GLU . 81.2 mt -52.65 -60.29 6.84 Favored Pre-proline 0 CA--C 1.533 0.313 0 N-CA-C 112.934 0.716 . . . . 10.0 112.934 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -60.68 -33.34 93.39 Favored 'Trans proline' 0 C--N 1.355 0.899 0 C-N-CA 122.073 1.849 . . . . 10.0 111.741 179.226 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 24.9 t -64.92 -43.13 96.29 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 N-CA-C 109.797 -0.446 . . . . 10.0 109.797 178.716 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 77.9 mt -61.85 -38.57 88.72 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.834 -0.621 . . . . 10.0 109.904 178.631 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 380' ' ' GLU . . . . . 0.585 ' HG3' ' O ' ' A' ' 376' ' ' LEU . 66.2 mt-10 -61.6 -47.95 83.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.564 179.351 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.92 -32.89 74.58 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.379 -0.373 . . . . 10.0 110.207 179.149 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -71.97 -36.84 69.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.754 179.42 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -62.27 -47.76 82.93 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 109.865 -0.42 . . . . 10.0 109.865 178.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 59.5 t -60.46 -49.21 85.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.8 -0.636 . . . . 10.0 111.097 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 3.6 p -63.32 -40.79 98.29 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.365 -0.379 . . . . 10.0 111.087 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 386' ' ' PHE . . . . . 0.731 ' HZ ' ' H76' ' A' ' 415' ' ' 17F . 0.8 OUTLIER -63.64 -43.61 96.3 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.611 179.377 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 387' ' ' LEU . . . . . 0.415 ' O ' ' HG3' ' A' ' 391' ' ' GLU . 27.0 mt -61.98 -41.02 97.56 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.05 -0.523 . . . . 10.0 109.744 178.81 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 388' ' ' SER . . . . . 0.57 ' HB3' ' HE2' ' D' ' 594' ' ' LYS . 14.9 m -64.67 -39.8 94.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.757 -0.656 . . . . 10.0 109.721 179.075 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -65.08 -40.81 95.18 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.251 179.505 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 9.3 mt -57.6 -44.02 85.11 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 116.081 -0.509 . . . . 10.0 109.949 178.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 391' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' ' 387' ' ' LEU . 40.0 mt-10 -63.86 -41.93 97.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.579 -0.737 . . . . 10.0 110.552 179.37 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -52.75 -47.45 67.42 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.959 -0.564 . . . . 10.0 111.531 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -64.42 -47.69 78.19 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.95 -0.568 . . . . 10.0 111.25 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 394' ' ' THR . . . . . 0.428 ' O ' ' HB3' ' A' ' 398' ' ' ASN . 7.3 m -66.86 -20.67 65.96 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.296 0.48 . . . . 10.0 112.296 -179.445 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -86.16 -45.27 11.5 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.432 0.53 . . . . 10.0 112.432 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 396' ' ' LYS . . . . . 0.448 ' HG2' ' HB2' ' D' ' 587' ' ' ALA . 0.4 OUTLIER -94.41 -36.45 11.9 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 114.47 1.285 . . . . 10.0 114.47 -177.733 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 77.2 mt -94.87 -1.3 52.96 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.185 0.517 . . . . 10.0 111.881 -178.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 398' ' ' ASN . . . . . 0.428 ' HB3' ' O ' ' A' ' 394' ' ' THR . 34.8 t-20 . . . . . 0 C--N 1.322 -0.623 0 CA-C-N 116.101 -0.5 . . . . 10.0 110.307 -179.635 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 2.8 mm? . . . . . 0 N--CA 1.455 -0.2 0 CA-C-O 120.995 0.426 . . . . 10.0 110.554 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -93.66 32.59 1.39 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.493 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 90.4 mt -69.19 -42.06 76.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.998 -0.546 . . . . 10.0 111.108 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 81.7 mt -68.29 -37.92 81.15 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.968 -179.452 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -63.23 -46.43 86.97 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.83 -0.623 . . . . 10.0 109.579 178.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 404' ' ' ASN . . . . . 0.488 ' O ' HG23 ' D' ' 408' ' ' VAL . 22.3 t-20 -65.59 -46.85 77.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.798 -0.637 . . . . 10.0 109.875 179.254 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -58.3 -40.29 81.61 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.953 -0.567 . . . . 10.0 111.15 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -65.97 -36.54 83.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.076 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 46.0 m -64.22 -36.43 84.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.289 0.566 . . . . 10.0 109.579 178.415 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 408' ' ' VAL . . . . . 0.488 HG23 ' O ' ' D' ' 404' ' ' ASN . 38.4 t -70.03 -32.27 50.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 CA-C-N 115.561 -0.745 . . . . 10.0 109.059 178.157 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 21.8 m -62.86 -42.27 99.69 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 108.903 -0.777 . . . . 10.0 108.903 178.686 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 2.9 m -61.12 -31.68 71.38 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.743 -0.662 . . . . 10.0 109.389 178.527 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 411' ' ' THR . . . . . 0.611 HG23 ' HE2' ' A' ' 363' ' ' LYS . 26.3 m -68.71 -42.02 78.26 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.519 -0.764 . . . . 10.0 109.307 178.744 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 412' ' ' PHE . . . . . 0.42 ' HD2' ' O ' ' D' ' 408' ' ' VAL . 22.8 m-85 -63.75 -42.19 97.88 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.955 -0.566 . . . . 10.0 109.689 178.343 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 413' ' ' SER . . . . . 0.461 ' HA ' ' HD2' ' D' ' 416' ' ' ARG . 16.7 m -60.01 -41.25 91.71 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.188 178.823 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 414' ' ' LYS . . . . . 0.42 ' HD3' ' HA ' ' D' ' 414' ' ' LYS . 66.6 mmtt -66.59 -30.08 70.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.988 0.423 . . . . 10.0 110.452 179.317 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 87.3 mt -67.85 -41.8 82.37 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.067 -0.716 . . . . 10.0 109.067 178.654 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 416' ' ' ARG . . . . . 0.461 ' HD2' ' HA ' ' D' ' 413' ' ' SER . 31.6 mtt180 -66.39 -32.8 74.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.748 -0.66 . . . . 10.0 110.3 179.367 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -61.82 -33.02 73.39 Favored 'General case' 0 C--O 1.227 -0.089 0 CA-C-N 115.819 -0.628 . . . . 10.0 109.832 179.057 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -87.35 -46.81 9.33 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.588 -0.733 . . . . 10.0 110.175 179.368 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 19.3 mt -42.12 -50.39 4.77 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 113.059 0.762 . . . . 10.0 113.059 -179.177 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -55.28 -75.12 0.25 Allowed Glycine 0 CA--C 1.517 0.198 0 C-N-CA 120.735 -0.745 . . . . 10.0 112.385 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 421' ' ' PRO . . . . . 0.506 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 73.4 Cg_exo -52.22 -43.55 52.63 Favored 'Trans proline' 0 C--O 1.235 0.341 0 C-N-CA 123.251 2.634 . . . . 10.0 113.295 179.555 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 41.7 t -58.79 -52.27 62.16 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.22 0 O-C-N 123.254 0.346 . . . . 10.0 111.57 -179.435 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 12.6 m -64.54 -36.56 84.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.878 0.37 . . . . 10.0 110.747 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -59.71 -50.43 73.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.495 179.052 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 425' ' ' GLU . . . . . 0.506 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 12.0 pt-20 -76.12 -24.04 54.91 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.871 -0.331 . . . . 10.0 110.937 179.289 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -66.69 -42.6 86.21 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.848 -0.797 . . . . 10.0 108.848 178.131 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 32.9 m0 -65.31 -39.27 92.28 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.4 -0.593 . . . . 10.0 109.4 178.34 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -66.13 -39.9 90.22 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.171 -0.678 . . . . 10.0 109.171 178.571 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.36 -41.49 98.83 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 108.738 -0.838 . . . . 10.0 108.738 177.481 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 27.7 mt -58.84 -39.06 80.13 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 115.657 -0.702 . . . . 10.0 110.272 179.178 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -61.88 -42.05 98.6 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.128 -0.487 . . . . 10.0 109.931 178.569 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 36.5 mttp -67.35 -43.49 81.35 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.523 178.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -62.85 -51.19 67.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.692 -0.686 . . . . 10.0 110.695 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 9.0 p -59.33 -48.92 79.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.459 -0.337 . . . . 10.0 110.829 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 435' ' ' GLU . . . . . 0.451 ' OE1' ' HD2' ' D' ' 438' ' ' ARG . 11.9 mm-40 -61.75 -44.04 97.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.465 -0.334 . . . . 10.0 110.773 179.278 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -60.83 -47.32 91.79 Favored Glycine 0 N--CA 1.446 -0.66 0 N-CA-C 110.527 -1.029 . . . . 10.0 110.527 178.457 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 90.9 mt -62.21 -39.14 91.77 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 109.778 -0.453 . . . . 10.0 109.778 178.462 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 438' ' ' ARG . . . . . 0.451 ' HD2' ' OE1' ' D' ' 435' ' ' GLU . 60.6 mtt180 -64.56 -36.75 85.23 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 116.491 -0.322 . . . . 10.0 111.021 179.488 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -63.0 -30.64 71.76 Favored 'General case' 0 N--CA 1.456 -0.131 0 CA-C-O 121.192 0.52 . . . . 10.0 110.1 179.095 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -85.35 -39.76 17.27 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.01 -0.737 . . . . 10.0 109.01 178.252 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 85.7 mmm -63.51 -37.76 88.53 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 115.566 -0.743 . . . . 10.0 112.05 -179.277 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 442' ' ' SER . . . . . 0.453 ' O ' ' HG2' ' D' ' 446' ' ' GLU . 5.5 p -62.45 -46.3 89.12 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.24 0.543 . . . . 10.0 109.763 179.683 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 443' ' ' LYS . . . . . 0.525 ' O ' ' HB2' ' D' ' 447' ' ' GLU . 28.6 mtpp -70.1 -37.73 75.47 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.629 -0.714 . . . . 10.0 110.658 178.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -67.95 -53.4 26.56 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.921 -0.581 . . . . 10.0 111.98 -179.41 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 93.5 mt -62.77 -52.51 62.93 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.741 0.645 . . . . 10.0 112.741 -178.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 446' ' ' GLU . . . . . 0.453 ' HG2' ' O ' ' D' ' 442' ' ' SER . 6.7 mm-40 -59.84 -46.08 90.41 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-O 120.661 0.267 . . . . 10.0 111.068 -179.419 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 447' ' ' GLU . . . . . 0.819 ' HB3' HH21 ' A' ' 330' ' ' ARG . 1.3 tt0 -72.44 -24.84 61.27 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 120.897 -0.321 . . . . 10.0 111.069 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -65.29 -38.59 82.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 109.206 -0.665 . . . . 10.0 109.206 178.485 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 74.2 mttt -66.35 -32.71 74.28 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.899 -0.591 . . . . 10.0 109.598 178.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -90.35 6.62 42.37 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.793 -0.639 . . . . 10.0 111.629 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 451' ' ' LYS . . . . . 0.522 ' O ' ' HB2' ' D' ' 455' ' ' TYR . 37.9 mttp -125.82 -41.78 1.95 Allowed 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 111.97 0.359 . . . . 10.0 111.97 179.588 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 69.6 t -69.35 -39.28 78.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.388 -0.369 . . . . 10.0 110.347 179.285 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -58.09 -57.55 25.17 Favored Pre-proline 0 CA--C 1.542 0.646 0 CA-C-N 116.619 -0.264 . . . . 10.0 111.329 179.438 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -65.34 -25.47 56.63 Favored 'Trans proline' 0 C--N 1.357 1.021 0 C-N-CA 121.682 1.588 . . . . 10.0 111.623 178.424 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 455' ' ' TYR . . . . . 0.522 ' HB2' ' O ' ' D' ' 451' ' ' LYS . 0.9 OUTLIER -71.87 -43.48 65.38 Favored 'General case' 0 C--O 1.226 -0.184 0 N-CA-C 109.141 -0.688 . . . . 10.0 109.141 178.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 37.4 mt -66.49 -37.15 84.45 Favored 'General case' 0 C--O 1.223 -0.32 0 N-CA-C 109.128 -0.693 . . . . 10.0 109.128 178.194 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -64.46 -48.75 74.09 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.823 -0.626 . . . . 10.0 109.659 178.441 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -62.29 -41.17 98.27 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.028 178.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -65.22 -44.66 87.59 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.936 178.742 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -62.93 -35.6 80.66 Favored 'General case' 0 C--O 1.224 -0.259 0 CA-C-N 116.386 -0.37 . . . . 10.0 110.386 179.314 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 70.8 mttt -64.67 -37.81 88.86 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.423 -0.584 . . . . 10.0 109.423 178.171 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 462' ' ' LYS . . . . . 0.76 ' HD2' H283 ' D' ' 602' ' ' PCW . 7.9 mtmm -75.04 -38.54 61.39 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.843 -0.617 . . . . 10.0 109.656 178.605 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 463' ' ' TRP . . . . . 0.685 ' CD1' ' H71' ' D' ' 629' ' ' 17F . 37.3 m0 -65.58 -41.9 92.37 Favored 'General case' 0 C--O 1.222 -0.354 0 N-CA-C 109.399 -0.593 . . . . 10.0 109.399 178.661 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -63.82 -44.44 93.24 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.811 -0.811 . . . . 10.0 108.811 178.481 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 465' ' ' GLU . . . . . 0.659 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 1.0 OUTLIER -56.61 -55.37 34.86 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.355 -0.839 . . . . 10.0 109.436 178.446 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -62.75 -37.83 88.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.453 -0.794 . . . . 10.0 111.418 -179.638 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 467' ' ' MET . . . . . 0.464 ' HA ' ' CD2' ' D' ' 470' ' ' TYR . 53.2 ttm -61.06 -46.04 92.3 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 109.565 -0.531 . . . . 10.0 109.565 179.367 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -67.35 -34.46 77.35 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.144 -0.687 . . . . 10.0 109.144 178.482 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 469' ' ' LEU . . . . . 0.659 ' HG ' ' O ' ' D' ' 465' ' ' GLU . 84.4 mt -66.14 -28.2 68.61 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 115.75 -0.659 . . . . 10.0 110.234 178.781 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 470' ' ' TYR . . . . . 0.464 ' CD2' ' HA ' ' D' ' 467' ' ' MET . 14.2 m-85 -66.39 -29.62 69.83 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 108.425 -0.954 . . . . 10.0 108.425 177.483 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 471' ' ' ARG . . . . . 0.542 ' HA ' ' HG2' ' D' ' 475' ' ' GLU . 68.8 mtt180 -85.05 -17.74 36.52 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.53 -0.759 . . . . 10.0 110.152 179.286 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -96.06 -14.4 22.95 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.778 -0.646 . . . . 10.0 111.009 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 473' ' ' LYS . . . . . 0.532 ' HE2' ' HB2' ' A' ' 305' ' ' MET . 60.6 mttp -124.5 -64.62 1.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.359 -0.382 . . . . 10.0 111.768 -179.473 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 25.4 t -58.98 -41.7 83.98 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.328 0 N-CA-C 111.834 0.309 . . . . 10.0 111.834 -178.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 475' ' ' GLU . . . . . 0.542 ' HG2' ' HA ' ' D' ' 471' ' ' ARG . 41.6 mm-40 -59.16 -59.31 14.25 Favored Pre-proline 0 CA--C 1.541 0.618 0 N-CA-C 112.89 0.7 . . . . 10.0 112.89 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -62.39 -37.17 62.27 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 121.431 1.42 . . . . 10.0 111.028 178.373 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 30.9 mt -65.86 -30.22 70.8 Favored 'General case' 0 C--O 1.225 -0.203 0 CA-C-O 120.793 0.33 . . . . 10.0 110.307 179.054 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 6.8 ttt-85 -61.78 -37.33 83.93 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.072 -0.714 . . . . 10.0 109.072 178.527 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -75.44 -39.68 58.55 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.741 -0.663 . . . . 10.0 109.551 178.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.0 -43.73 98.46 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 109.18 -0.674 . . . . 10.0 109.18 178.61 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 96.2 mt -72.23 -27.52 62.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.417 -0.81 . . . . 10.0 110.537 179.023 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -67.98 -46.67 70.68 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 108.789 -0.819 . . . . 10.0 108.789 178.628 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.34 -37.85 86.29 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.854 -0.795 . . . . 10.0 108.854 177.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -63.56 -39.59 97.79 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 110.422 -1.071 . . . . 10.0 110.422 178.42 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -68.41 -41.66 80.12 Favored 'General case' 0 C--O 1.223 -0.321 0 N-CA-C 109.416 -0.587 . . . . 10.0 109.416 178.544 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 75.3 mtt180 -60.64 -42.78 97.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.294 -0.412 . . . . 10.0 110.032 178.565 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -67.49 -44.55 78.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.939 -0.573 . . . . 10.0 109.828 178.542 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 488' ' ' LYS . . . . . 0.468 ' HA ' ' OE1' ' D' ' 491' ' ' GLU . 59.2 tttt -60.31 -42.06 94.77 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.539 -0.541 . . . . 10.0 109.539 178.686 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 47.8 mt -62.44 -35.18 78.47 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.8 -0.636 . . . . 10.0 109.701 178.6 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 50.8 t60 -69.98 -42.17 73.48 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 108.892 -0.781 . . . . 10.0 108.892 178.126 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 491' ' ' GLU . . . . . 0.468 ' OE1' ' HA ' ' D' ' 488' ' ' LYS . 73.5 mt-10 -59.11 -42.56 90.81 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 108.594 -0.891 . . . . 10.0 108.594 178.275 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 85.0 mt -70.59 -41.01 72.89 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.368 -0.833 . . . . 10.0 110.611 179.256 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 493' ' ' GLN . . . . . 0.43 ' C ' ' H ' ' D' ' 495' ' ' LYS . 28.1 mt-30 -56.99 -49.17 76.59 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-O 120.637 0.256 . . . . 10.0 110.998 179.478 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -76.61 19.76 0.26 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.264 0.554 . . . . 10.0 111.484 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 495' ' ' LYS . . . . . 0.536 ' HE3' ' HB3' ' A' ' 279' ' ' LEU . 37.5 mttp -132.27 -49.9 0.93 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.601 -0.727 . . . . 10.0 109.612 178.258 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 496' ' ' LEU . . . . . 0.449 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 42.1 mt -63.58 -28.44 69.93 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.288 -0.414 . . . . 10.0 111.225 179.613 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 497' ' ' SER . . . . . 0.402 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 37.3 m -76.66 -61.05 0.79 Allowed Pre-proline 0 CA--C 1.539 0.52 0 C-N-CA 121.015 -0.274 . . . . 10.0 111.713 178.631 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 498' ' ' PRO . . . . . 0.402 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 31.7 Cg_endo -65.21 -50.31 2.12 Favored 'Trans proline' 0 C--N 1.356 0.953 0 C-N-CA 122.082 1.854 . . . . 10.0 111.87 179.599 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 499' ' ' LEU . . . . . 0.937 HD21 ' HG2' ' A' ' 275' ' ' LYS . 74.3 mt -70.56 -29.32 65.74 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 116.684 -0.234 . . . . 10.0 110.494 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 500' ' ' GLY . . . . . 0.449 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -62.52 -49.16 76.26 Favored Glycine 0 N--CA 1.448 -0.564 0 N-CA-C 110.723 -0.951 . . . . 10.0 110.723 179.135 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -71.08 -28.98 64.73 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.901 -0.407 . . . . 10.0 109.901 178.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 502' ' ' GLU . . . . . 0.536 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 32.8 tt0 -68.36 -46.49 69.96 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.113 -0.699 . . . . 10.0 109.113 178.542 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 503' ' ' MET . . . . . 0.41 ' HG2' ' O ' ' D' ' 499' ' ' LEU . 95.3 mmm -63.44 -36.99 85.58 Favored 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 109.059 -0.719 . . . . 10.0 109.059 178.355 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 504' ' ' ARG . . . . . 0.436 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 97.4 mtt180 -63.43 -44.15 95.4 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.09 -0.707 . . . . 10.0 109.09 177.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -62.53 -41.69 99.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.55 -0.75 . . . . 10.0 109.972 179.326 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 506' ' ' ARG . . . . . 0.536 ' HG3' ' O ' ' D' ' 502' ' ' GLU . 80.0 mtt180 -62.47 -47.58 83.38 Favored 'General case' 0 CA--C 1.522 -0.111 0 N-CA-C 108.416 -0.957 . . . . 10.0 108.416 178.04 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -57.95 -43.49 86.44 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.333 -0.849 . . . . 10.0 110.296 179.354 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 508' ' ' ARG . . . . . 0.436 ' HG3' ' O ' ' D' ' 504' ' ' ARG . 37.6 mtt180 -61.7 -41.74 98.0 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.918 -0.401 . . . . 10.0 109.918 178.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 509' ' ' ALA . . . . . 0.738 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -65.57 -35.87 82.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.77 179.476 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 510' ' ' HIS . . . . . 0.544 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 71.1 m-70 -75.55 -43.82 46.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.319 178.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 41.7 t -63.85 -43.28 97.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.178 179.289 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 512' ' ' ASP . . . . . 0.419 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 25.3 t70 -65.3 -32.52 74.22 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.732 -0.47 . . . . 10.0 109.732 179.413 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -66.02 -44.94 83.26 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 108.523 -0.917 . . . . 10.0 108.523 177.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 514' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' D' ' 510' ' ' HIS . 89.9 mt -59.15 -28.62 66.75 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.914 -0.584 . . . . 10.0 110.912 179.191 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 515' ' ' ARG . . . . . 0.476 ' O ' ' HB3' ' D' ' 519' ' ' ALA . 76.6 mtt180 -65.25 -30.4 71.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.042 0.449 . . . . 10.0 110.556 179.068 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 1.2 m -105.15 -7.26 19.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.294 0.568 . . . . 10.0 110.693 -179.586 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 517' ' ' HIS . . . . . 0.425 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 0.4 OUTLIER -100.74 -59.31 1.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.953 -0.567 . . . . 10.0 111.382 -179.772 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 81.7 mt -77.43 -51.48 10.71 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.708 0.633 . . . . 10.0 112.708 -178.57 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 519' ' ' ALA . . . . . 0.629 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -48.31 -59.39 6.08 Favored Pre-proline 0 CA--C 1.538 0.509 0 N-CA-C 113.789 1.033 . . . . 10.0 113.789 -178.53 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 520' ' ' PRO . . . . . 0.629 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 31.8 Cg_exo -64.68 -44.7 10.18 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 121.788 1.659 . . . . 10.0 111.882 179.531 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -61.31 -42.65 99.01 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 112.15 0.426 . . . . 10.0 112.15 -179.264 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 24.7 p -65.35 -30.22 71.03 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.895 0.379 . . . . 10.0 110.837 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 523' ' ' ASP . . . . . 0.61 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 6.6 t70 -74.83 -38.16 62.1 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.435 -0.58 . . . . 10.0 109.435 178.645 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -67.91 -33.18 74.21 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 107.798 -1.186 . . . . 10.0 107.798 176.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 525' ' ' LEU . . . . . 0.658 HD23 ' HD2' ' D' ' 528' ' ' ARG . 7.8 mt -66.17 -34.91 79.11 Favored 'General case' 0 C--O 1.217 -0.615 0 CA-C-N 114.988 -1.006 . . . . 10.0 108.806 177.396 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 526' ' ' ARG . . . . . 0.61 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 58.5 mtt180 -63.35 -34.57 77.99 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 109.48 -0.563 . . . . 10.0 109.48 178.58 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -67.18 -40.22 86.53 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 108.34 -0.985 . . . . 10.0 108.34 178.085 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 528' ' ' ARG . . . . . 0.672 ' CZ ' ' HA ' ' A' ' 246' ' ' ASP . 93.7 mtt180 -67.83 -39.84 83.84 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.733 -0.84 . . . . 10.0 108.733 178.04 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 529' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' D' ' 525' ' ' LEU . 97.5 mt -61.93 -39.31 91.6 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.895 -0.593 . . . . 10.0 109.66 178.633 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 530' ' ' ALA . . . . . 0.46 ' O ' ' HB2' ' D' ' 534' ' ' GLU . . . -65.24 -37.49 87.43 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.663 -0.699 . . . . 10.0 109.893 178.817 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -71.1 -40.32 71.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.986 -0.552 . . . . 10.0 109.567 178.642 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 532' ' ' ARG . . . . . 0.465 ' O ' ' HG ' ' D' ' 536' ' ' LEU . 1.3 mtt180 -64.49 -48.94 73.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.807 -0.633 . . . . 10.0 109.453 178.371 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 79.7 mt -64.41 -28.23 69.54 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.057 179.351 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 534' ' ' GLU . . . . . 0.46 ' HB2' ' O ' ' D' ' 530' ' ' ALA . 23.4 tt0 -64.66 -48.57 74.29 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 108.423 -0.954 . . . . 10.0 108.423 178.116 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -68.11 -37.29 80.99 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.674 -0.694 . . . . 10.0 109.723 178.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 536' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' D' ' 532' ' ' ARG . 93.1 mt -66.98 -26.33 66.76 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.849 -0.614 . . . . 10.0 110.696 179.349 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -83.1 -41.34 18.69 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.14 -0.689 . . . . 10.0 109.14 178.342 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -62.43 -51.64 66.72 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 109.199 -0.667 . . . . 10.0 109.199 178.571 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -71.53 -30.31 65.77 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.574 179.094 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -65.12 -51.74 47.63 Favored Glycine 0 N--CA 1.447 -0.624 0 CA-C-N 115.88 -0.6 . . . . 10.0 111.642 179.465 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -62.28 -37.35 94.43 Favored Glycine 0 N--CA 1.448 -0.522 0 N-CA-C 111.049 -0.82 . . . . 10.0 111.049 179.201 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -67.57 -51.04 55.34 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.945 -0.391 . . . . 10.0 109.945 178.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 56.3 mtt180 -61.69 -32.2 72.38 Favored 'General case' 0 C--O 1.223 -0.303 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.944 179.548 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 544' ' ' LEU . . . . . 0.534 ' O ' ' HB2' ' D' ' 548' ' ' HIS . 27.0 mt -62.9 -41.41 99.42 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.247 -0.649 . . . . 10.0 109.247 178.359 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -71.86 -41.69 67.79 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.819 -0.628 . . . . 10.0 109.519 178.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -62.8 -48.88 77.19 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.878 179.529 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -67.61 -36.27 80.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.326 -0.397 . . . . 10.0 111.004 179.371 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 548' ' ' HIS . . . . . 0.534 ' HB2' ' O ' ' D' ' 544' ' ' LEU . 0.2 OUTLIER -67.17 -44.59 79.33 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 109.248 -0.649 . . . . 10.0 109.248 178.48 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -61.49 -45.5 93.97 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 109.137 -0.69 . . . . 10.0 109.137 178.463 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 550' ' ' LYS . . . . . 0.649 ' HD3' HG22 ' A' ' 224' ' ' VAL . 0.0 OUTLIER -64.43 -30.18 71.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.71 -0.677 . . . . 10.0 110.662 179.133 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -65.9 -42.9 89.63 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.687 -0.486 . . . . 10.0 109.687 178.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.6 -43.33 97.23 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.174 -0.676 . . . . 10.0 109.174 178.273 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -64.74 -41.33 96.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.416 -0.811 . . . . 10.0 109.911 179.202 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 62.6 t60 -64.12 -46.55 83.66 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.059 179.05 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 23.2 tp -61.85 -43.25 99.22 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.368 -0.378 . . . . 10.0 111.172 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 3.7 p -66.48 -40.01 89.07 Favored 'General case' 0 C--O 1.225 -0.202 0 C-N-CA 121.131 -0.228 . . . . 10.0 110.664 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 33.2 m -69.58 -33.16 72.33 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.168 0.508 . . . . 10.0 110.279 179.145 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 14.2 mt -72.07 -50.57 27.21 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.923 -0.581 . . . . 10.0 110.394 178.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 559' ' ' SER . . . . . 0.451 ' HA ' ' HB3' ' D' ' 562' ' ' ALA . 9.0 p -63.39 -31.19 72.27 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.87 0.367 . . . . 10.0 110.628 179.668 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -56.62 -32.28 65.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.293 -0.867 . . . . 10.0 110.746 178.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 561' ' ' LYS . . . . . 0.423 ' C ' ' HD2' ' D' ' 564' ' ' PRO . 51.9 mttp -109.29 -23.22 11.69 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 116.236 -0.438 . . . . 10.0 111.438 179.436 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 562' ' ' ALA . . . . . 0.451 ' HB3' ' HA ' ' D' ' 559' ' ' SER . . . -59.06 -48.58 81.09 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-O 120.725 0.298 . . . . 10.0 111.143 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 563' ' ' LYS . . . . . 0.787 ' HB2' ' HD3' ' D' ' 564' ' ' PRO . 87.0 mttt -58.63 -58.33 20.03 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.009 -0.541 . . . . 10.0 111.523 179.538 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 564' ' ' PRO . . . . . 0.787 ' HD3' ' HB2' ' D' ' 563' ' ' LYS . 53.2 Cg_exo -59.59 -37.59 87.46 Favored 'Trans proline' 0 C--N 1.359 1.082 0 C-N-CA 122.234 1.956 . . . . 10.0 111.868 178.664 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -62.46 -49.52 75.11 Favored 'General case' 0 CA--C 1.514 -0.431 0 N-CA-C 110.172 -0.307 . . . . 10.0 110.172 179.485 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 22.5 mt -58.29 -48.28 81.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.203 179.025 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -61.35 -49.86 75.24 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.995 -0.548 . . . . 10.0 111.755 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -62.96 -42.77 99.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.854 0.359 . . . . 10.0 110.861 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 37.5 mt -60.87 -44.36 97.15 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 109.667 -0.494 . . . . 10.0 109.667 179.107 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 75.7 mtt180 -63.43 -43.1 98.42 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.945 0.402 . . . . 10.0 110.142 178.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -63.32 -25.68 68.41 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.588 -0.733 . . . . 10.0 111.368 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -92.82 -36.77 5.96 Favored Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 111.17 -0.772 . . . . 10.0 111.17 179.059 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 21.2 mt -64.27 -42.39 96.47 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.167 0.432 . . . . 10.0 112.167 -179.643 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 61.8 mt -53.34 -60.67 6.39 Favored Pre-proline 0 CA--C 1.535 0.389 0 N-CA-C 112.803 0.668 . . . . 10.0 112.803 -179.479 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -65.07 -39.79 22.65 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 121.917 1.745 . . . . 10.0 111.817 179.155 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 7.7 t -60.9 -41.26 88.17 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-O 120.843 0.354 . . . . 10.0 110.83 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 20.0 mt -64.5 -34.99 79.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.123 178.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 578' ' ' GLU . . . . . 0.424 ' O ' HG23 ' D' ' 582' ' ' VAL . 78.3 mm-40 -66.93 -40.7 87.67 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 108.789 -0.819 . . . . 10.0 108.789 178.17 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 2.7 m -65.51 -38.4 89.57 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 108.745 -0.835 . . . . 10.0 108.745 178.42 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 2.3 m-30 -62.6 -41.32 98.9 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.678 -0.692 . . . . 10.0 110.183 178.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -63.26 -41.39 99.04 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.106 -0.701 . . . . 10.0 109.106 178.641 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 582' ' ' VAL . . . . . 0.424 HG23 ' O ' ' D' ' 578' ' ' GLU . 53.1 t -61.34 -48.52 88.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.612 -0.722 . . . . 10.0 110.473 179.139 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 1.2 p -66.79 -40.25 88.08 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.123 -0.49 . . . . 10.0 111.375 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -62.79 -48.28 79.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.017 179.038 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 70.5 mt -60.0 -50.02 75.39 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.891 -0.595 . . . . 10.0 111.424 -179.654 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 7.5 p -62.96 -31.73 72.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.698 0.285 . . . . 10.0 111.4 -179.494 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 587' ' ' ALA . . . . . 0.448 ' HB2' ' HG2' ' A' ' 396' ' ' LYS . . . -75.69 -54.26 7.24 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.712 0.292 . . . . 10.0 110.413 178.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 588' ' ' LEU . . . . . 0.56 HD22 ' H50' ' D' ' 630' ' ' 17F . 94.4 mt -56.79 -45.33 82.25 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.004 -0.544 . . . . 10.0 112.087 -179.531 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 589' ' ' GLU . . . . . 0.481 ' O ' ' HG3' ' D' ' 593' ' ' LYS . 24.2 mt-10 -58.74 -43.78 90.35 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.512 -0.313 . . . . 10.0 111.301 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -74.82 -35.26 62.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.494 -0.321 . . . . 10.0 111.415 -179.318 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -61.07 -43.4 98.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.037 0.446 . . . . 10.0 109.804 178.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 4.8 m -71.76 -10.0 59.12 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 115.721 -0.672 . . . . 10.0 111.231 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 593' ' ' LYS . . . . . 0.481 ' HG3' ' O ' ' D' ' 589' ' ' GLU . 90.0 mttt -88.76 -46.25 9.13 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.106 0.479 . . . . 10.0 109.907 178.798 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 594' ' ' LYS . . . . . 0.57 ' HE2' ' HB3' ' A' ' 388' ' ' SER . 11.1 mptt -75.72 -40.03 56.3 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.854 -0.612 . . . . 10.0 111.848 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 82.3 mt -93.11 33.39 1.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.119 0.485 . . . . 10.0 110.557 179.668 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 . . . . . 0 C--N 1.325 -0.468 0 CA-C-N 115.921 -0.582 . . . . 10.0 111.095 -179.746 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 4.2 m . . . . . 0 CA--C 1.53 0.203 0 CA-C-O 121.135 0.493 . . . . 10.0 110.792 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.87 121.89 39.08 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.104 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.499 ' HG3' HD23 ' B' ' 52' ' ' LEU . 24.3 tt0 -97.82 132.64 43.24 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.386 179.632 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -121.28 114.67 21.7 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.412 -0.358 . . . . 10.0 110.089 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.793 ' HA ' ' HB3' ' B' ' 54' ' ' ASP . 52.3 mttm -81.62 107.82 14.68 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.444 -0.343 . . . . 10.0 110.168 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 8.6 mt -116.42 126.95 54.15 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.154 -0.475 . . . . 10.0 111.132 -178.321 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 88.6 t -107.88 131.44 58.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.725 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 11.8 t -90.85 120.05 39.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 108.84 -0.8 . . . . 10.0 108.84 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.415 HG23 ' HA ' ' B' ' 80' ' ' CYS . 13.9 m -116.52 144.64 23.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 120.87 0.367 . . . . 10.0 111.688 -179.704 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 154.9 167.8 17.2 Favored Glycine 0 N--CA 1.447 -0.597 0 N-CA-C 111.456 -0.657 . . . . 10.0 111.456 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.17 171.36 11.14 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 121.131 0.491 . . . . 10.0 111.437 -179.634 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -84.33 123.79 30.56 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.115 0.484 . . . . 10.0 111.238 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 116.65 -9.69 16.58 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.683 -0.77 . . . . 10.0 112.596 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 17.2 m -78.73 -9.61 12.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.956 0.408 . . . . 10.0 111.105 179.492 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' GLY . . . . . 0.644 ' HA2' ' H8 ' ' B' ' 201' ' ' GSP . . . 97.38 32.97 6.11 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 121.054 -0.593 . . . . 10.0 111.682 -179.752 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.478 ' HB3' ' OD1' ' B' ' 57' ' ' ASP . 6.9 mmmm -52.48 -57.83 8.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.094 0.473 . . . . 10.0 111.313 -179.761 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.43 -28.17 41.71 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.724 -0.671 . . . . 10.0 111.474 -179.083 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.12 -47.67 82.58 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.45 -0.341 . . . . 10.0 111.281 -179.493 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 79.7 mt -65.03 -39.15 92.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.185 0.517 . . . . 10.0 110.75 179.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' THR . . . . . 0.412 ' O ' HG12 ' B' ' 24' ' ' ILE . 21.5 m -65.08 -51.56 60.69 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.877 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.44 -36.22 71.68 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 CA-C-N 116.603 -0.271 . . . . 10.0 111.485 -179.668 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' GLN . . . . . 0.635 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 0.4 OUTLIER -66.62 -24.89 66.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.985 0.421 . . . . 10.0 110.806 179.514 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 18.2 tp -91.28 -35.3 14.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.458 -0.337 . . . . 10.0 110.964 179.595 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.412 HG12 ' O ' ' B' ' 20' ' ' THR . 47.5 mm -81.49 -61.45 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 112.283 0.475 . . . . 10.0 112.283 -179.432 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -91.03 -11.37 38.99 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.342 -0.39 . . . . 10.0 111.977 -178.255 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' ASN . . . . . 0.635 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 42.8 m-80 71.1 19.98 5.34 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 114.187 1.18 . . . . 10.0 114.187 178.058 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -131.35 156.86 44.79 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.483 -0.487 . . . . 10.0 111.684 179.233 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -95.17 130.79 41.75 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.259 -179.125 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 2.0 m -91.89 116.33 32.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.191 -0.458 . . . . 10.0 110.521 179.179 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -94.73 18.21 12.08 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.353 0.597 . . . . 10.0 109.814 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -126.96 130.08 49.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.718 -0.674 . . . . 10.0 110.692 -179.216 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' TYR . . . . . 0.546 ' HA ' H5'2 ' B' ' 201' ' ' GSP . 63.9 t80 -59.84 142.25 53.81 Favored 'General case' 0 C--O 1.237 0.402 0 O-C-N 123.368 0.418 . . . . 10.0 111.342 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -146.21 105.14 4.1 Favored Pre-proline 0 C--O 1.236 0.383 0 CA-C-N 115.887 -0.597 . . . . 10.0 111.4 -179.363 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' PRO . . . . . 0.449 ' HG3' ' HE2' ' B' ' 32' ' ' TYR . 12.0 Cg_exo -71.1 79.2 1.39 Allowed 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.914 2.409 . . . . 10.0 111.32 179.577 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.3 111.23 5.08 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.56 -0.746 . . . . 10.0 111.177 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.598 ' HA ' ' HB2' ' B' ' 59' ' ' ALA . 45.8 mm -78.14 -49.19 21.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.546 -0.538 . . . . 10.0 109.546 179.514 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 37' ' ' GLU . . . . . 0.579 ' HG2' HD11 ' B' ' 56' ' ' LEU . 4.6 tt0 -174.08 101.67 0.1 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.811 -0.631 . . . . 10.0 110.406 179.32 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -133.12 136.27 45.71 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.419 -0.585 . . . . 10.0 109.419 179.491 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 2.2 m -105.28 146.81 28.82 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.815 0.341 . . . . 10.0 111.489 -178.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -134.04 123.04 23.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.118 -179.679 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.509 ' HD2' ' OD2' ' B' ' 54' ' ' ASP . 0.8 OUTLIER -101.73 128.24 48.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.172 -0.467 . . . . 10.0 111.399 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 47.6 tttp -142.2 122.75 14.13 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.141 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -100.24 125.6 46.44 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.616 -0.513 . . . . 10.0 109.616 179.41 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -141.14 166.22 18.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 120.936 0.398 . . . . 10.0 111.211 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 15.8 t -96.99 107.47 19.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.779 -0.646 . . . . 10.0 109.707 179.303 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 46' ' ' ILE . . . . . 0.783 HD13 HG21 ' B' ' 160' ' ' VAL . 37.5 mt -117.89 126.87 75.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.2 -0.455 . . . . 10.0 110.083 -179.38 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 47' ' ' ASP . . . . . 0.526 ' HA ' ' HD2' ' C' ' 128' ' ' LYS . 9.6 m-20 63.77 14.23 8.09 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 115.909 -0.587 . . . . 10.0 111.988 179.551 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 98.88 3.09 57.11 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.905 -0.664 . . . . 10.0 112.435 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -117.19 143.34 45.96 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.897 0.349 . . . . 10.0 111.094 -179.641 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -85.2 105.86 16.21 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 109.054 -0.721 . . . . 10.0 109.054 178.431 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 3.3 m -116.88 147.46 42.17 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.315 -0.402 . . . . 10.0 111.513 -178.498 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.499 HD23 ' HG3' ' B' ' 3' ' ' GLU . 18.0 tp -105.6 116.34 31.77 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.344 -0.613 . . . . 10.0 109.344 178.495 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 53.2 mt -88.69 122.47 32.15 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.323 -0.399 . . . . 10.0 110.928 -179.487 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 54' ' ' ASP . . . . . 0.793 ' HB3' ' HA ' ' B' ' 5' ' ' LYS . 18.3 t70 -99.69 88.95 3.96 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.408 -0.96 . . . . 10.0 108.408 178.787 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 55' ' ' ILE . . . . . 0.406 HD12 HD11 ' B' ' 24' ' ' ILE . 20.1 mt -86.41 137.93 19.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.058 0.456 . . . . 10.0 111.331 -178.168 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.579 HD11 ' HG2' ' B' ' 37' ' ' GLU . 66.2 tp -137.04 111.16 8.34 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.879 -0.6 . . . . 10.0 110.572 179.632 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 57' ' ' ASP . . . . . 0.478 ' OD1' ' HB3' ' B' ' 16' ' ' LYS . 28.6 t0 -84.27 124.8 31.61 Favored 'General case' 0 CA--C 1.519 -0.227 0 N-CA-C 109.501 -0.555 . . . . 10.0 109.501 179.181 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 40.6 p -102.1 147.69 26.3 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.248 -179.149 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 59' ' ' ALA . . . . . 0.598 ' HB2' ' HA ' ' B' ' 36' ' ' ILE . . . -68.18 104.36 1.79 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.214 0.53 . . . . 10.0 111.029 179.315 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -82.86 35.29 2.72 Favored Glycine 0 N--CA 1.454 -0.13 0 C-N-CA 121.033 -0.604 . . . . 10.0 112.446 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -99.76 10.11 41.89 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.08 0.467 . . . . 10.0 110.935 -179.273 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.711 ' HG3' ' H ' ' B' ' 63' ' ' GLU . 3.4 tp10 65.1 -166.81 0.22 Allowed 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.524 -0.762 . . . . 10.0 112.595 178.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.711 ' H ' ' HG3' ' B' ' 62' ' ' GLU . 0.5 OUTLIER 77.02 -10.14 1.4 Allowed 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.782 0.833 . . . . 10.0 112.193 -179.611 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 64' ' ' TYR . . . . . 0.52 ' HE2' ' HB3' ' B' ' 59' ' ' ALA . 21.4 m-30 -93.26 109.16 20.69 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.914 0.388 . . . . 10.0 111.825 -179.333 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 2.6 p -108.34 -65.21 1.14 Allowed 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.018 -0.734 . . . . 10.0 109.018 178.382 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.63 -34.65 60.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.58 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 26.5 ttt -62.43 -39.23 92.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.27 -0.423 . . . . 10.0 111.11 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 68' ' ' ARG . . . . . 0.626 ' HA ' ' CZ ' ' B' ' 71' ' ' TYR . 7.3 ttp180 -69.74 -34.66 74.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.695 -0.684 . . . . 10.0 111.054 -179.622 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -57.61 -37.68 73.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.423 -0.808 . . . . 10.0 112.255 -179.505 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -58.19 -66.17 0.53 Allowed 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.88 0.696 . . . . 10.0 112.88 -178.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 71' ' ' TYR . . . . . 0.626 ' CZ ' ' HA ' ' B' ' 68' ' ' ARG . 5.1 p90 -67.12 -20.49 65.78 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.847 0.684 . . . . 10.0 112.847 -178.714 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 22.9 mtt -67.87 -36.8 80.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.766 0.317 . . . . 10.0 110.734 179.369 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 73' ' ' ARG . . . . . 0.718 ' HG3' HG12 ' B' ' 103' ' ' VAL . 6.6 mtm180 -76.04 -37.4 58.39 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.974 0.416 . . . . 10.0 110.776 179.359 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 4.3 m -71.8 -36.32 70.25 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.749 -0.659 . . . . 10.0 111.587 -179.447 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.5 145.26 48.44 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.811 -0.709 . . . . 10.0 112.358 -179.534 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -103.0 -39.06 7.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.907 0.384 . . . . 10.0 110.221 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -121.48 139.82 13.41 Favored Glycine 0 N--CA 1.447 -0.63 0 N-CA-C 111.04 -0.824 . . . . 10.0 111.04 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -125.67 128.92 48.57 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.008 0.433 . . . . 10.0 111.126 -179.249 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.483 HD13 HD22 ' B' ' 159' ' ' LEU . 9.8 tp -109.43 114.33 27.89 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.684 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 80' ' ' CYS . . . . . 0.7 ' HB3' HD12 ' B' ' 93' ' ' ILE . 10.8 m -84.28 99.51 10.63 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 120.976 0.417 . . . . 10.0 110.113 179.637 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 49.0 t -98.08 128.83 49.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.599 -0.728 . . . . 10.0 110.008 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 82' ' ' PHE . . . . . 0.458 ' HB3' HD11 ' B' ' 93' ' ' ILE . 30.6 p90 -141.9 156.34 45.5 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.548 179.588 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -98.67 128.87 45.09 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.076 -0.713 . . . . 10.0 109.076 178.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 84' ' ' ILE . . . . . 0.674 HD11 ' HA ' ' B' ' 118' ' ' CYS . 26.0 pt -66.53 -12.09 14.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 120.767 0.318 . . . . 10.0 111.349 -179.615 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -95.9 9.55 40.22 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.822 -0.626 . . . . 10.0 110.813 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.415 ' OD1' ' HB3' ' B' ' 88' ' ' LYS . 26.5 t-20 -140.45 106.65 5.24 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.4 179.607 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.69 -33.13 75.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 10.0 112.29 -179.285 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 88' ' ' LYS . . . . . 0.415 ' HB3' ' OD1' ' B' ' 86' ' ' ASN . 26.0 tptp -54.81 -47.39 74.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.021 0.439 . . . . 10.0 110.839 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 19.9 m -63.57 -25.43 68.24 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.988 -0.551 . . . . 10.0 112.348 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -75.51 -38.52 59.38 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.154 0.502 . . . . 10.0 110.569 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -75.12 -32.35 61.37 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.425 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.53 -28.28 69.21 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.764 -0.653 . . . . 10.0 111.378 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 93' ' ' ILE . . . . . 0.7 HD12 ' HB3' ' B' ' 80' ' ' CYS . 41.4 mm -54.33 -43.33 61.71 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.174 179.429 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 69.5 t60 -59.05 -52.19 66.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.044 -0.526 . . . . 10.0 111.259 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 72.8 m-70 -64.76 -33.39 75.86 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.042 -0.527 . . . . 10.0 111.604 -178.746 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -68.03 -47.84 67.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.598 -0.274 . . . . 10.0 110.297 178.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 17.3 ttt180 -58.55 -47.96 82.49 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.594 179.499 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -62.34 -39.2 92.31 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.783 -0.644 . . . . 10.0 111.155 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 99' ' ' GLN . . . . . 0.521 ' O ' HG23 ' B' ' 103' ' ' VAL . 44.1 tt0 -66.37 -50.82 62.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.13 -0.486 . . . . 10.0 111.151 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 73.6 mt -57.93 -39.28 70.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-O 120.773 0.321 . . . . 10.0 110.788 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 101' ' ' LYS . . . . . 0.403 ' HB2' ' HE3' ' B' ' 101' ' ' LYS . 22.9 mtmt -63.43 -31.18 72.27 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.121 0.486 . . . . 10.0 111.496 179.604 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? -80.18 -35.59 36.21 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.33 -0.395 . . . . 10.0 110.501 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 103' ' ' VAL . . . . . 0.718 HG12 ' HG3' ' B' ' 73' ' ' ARG . 57.6 t -68.45 -57.77 8.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.306 -0.407 . . . . 10.0 111.8 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 30.9 mtpp -81.37 -12.61 58.93 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 111.865 0.32 . . . . 10.0 111.865 -178.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 33.6 t0 58.59 56.75 4.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.244 0.545 . . . . 10.0 112.183 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 8.1 t -154.14 128.77 9.3 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.745 -0.661 . . . . 10.0 109.696 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -78.02 -43.78 28.46 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.316 -0.402 . . . . 10.0 111.156 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -91.35 105.48 17.81 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.232 0.539 . . . . 10.0 111.548 -179.623 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 95.5 t -133.76 129.71 20.41 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 115.473 -0.785 . . . . 10.0 109.657 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -59.04 106.71 0.31 Allowed 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.908 2.405 . . . . 10.0 112.443 179.709 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 65.1 mtm -132.26 150.41 52.16 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.357 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 98.5 t -129.77 132.7 65.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 109.53 -0.544 . . . . 10.0 109.53 179.276 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 15.9 tp -82.72 114.62 21.19 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.056 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 97.5 t -105.26 107.35 22.4 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 N-CA-C 112.606 0.595 . . . . 10.0 112.606 -178.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -92.97 105.3 3.29 Favored Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 108.834 -1.707 . . . . 10.0 108.834 177.377 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 34.3 t-20 -99.36 154.39 18.23 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 112.534 0.568 . . . . 10.0 112.534 -177.661 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 117' ' ' LYS . . . . . 0.496 ' NZ ' ' N7 ' ' B' ' 201' ' ' GSP . 4.9 mtmm 74.5 38.1 0.52 Allowed 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.15 -0.932 . . . . 10.0 112.99 179.234 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 118' ' ' CYS . . . . . 0.674 ' HA ' HD11 ' B' ' 84' ' ' ILE . 56.6 m -75.34 -9.48 58.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.913 -0.585 . . . . 10.0 112.257 179.71 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -86.67 -10.72 53.16 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.968 0.414 . . . . 10.0 111.258 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 62.6 mt -89.88 137.43 28.3 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 116.233 -0.44 . . . . 10.0 110.345 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -72.72 163.88 37.18 Favored 'Trans proline' 0 C--O 1.235 0.348 0 C-N-CA 122.876 2.384 . . . . 10.0 112.802 -179.523 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 1.8 m 55.56 71.0 0.58 Allowed 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.85 -0.614 . . . . 10.0 112.459 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -88.75 137.33 32.42 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.822 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.93 -51.58 13.41 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.198 -0.456 . . . . 10.0 110.921 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 76.5 t -86.46 112.96 23.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.121 -0.696 . . . . 10.0 109.121 178.335 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -74.45 149.89 40.18 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.067 -0.515 . . . . 10.0 109.924 -179.646 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.39 -28.33 66.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.107 0.479 . . . . 10.0 109.88 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 128' ' ' LYS . . . . . 0.542 ' HB3' ' HA ' ' C' ' 47' ' ' ASP . 15.0 mttp -59.2 -58.63 7.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.311 -0.859 . . . . 10.0 111.133 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 129' ' ' GLN . . . . . 0.445 ' HA ' ' HB3' ' B' ' 132' ' ' ASP . 2.0 pt20 -68.28 -26.93 65.9 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 112.452 0.538 . . . . 10.0 112.452 -179.323 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.42 -47.08 83.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.03 0.443 . . . . 10.0 110.313 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -79.59 -24.93 41.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.722 179.318 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 132' ' ' ASP . . . . . 0.445 ' HB3' ' HA ' ' B' ' 129' ' ' GLN . 20.9 t0 -64.58 -42.57 95.54 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.707 -0.678 . . . . 10.0 110.629 179.499 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 17.1 tp -69.39 -32.41 71.41 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.616 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -71.29 -19.92 62.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.95 -0.568 . . . . 10.0 112.061 -179.424 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 135' ' ' ARG . . . . . 0.454 ' HA ' ' HE2' ' C' ' 165' ' ' LYS . 34.5 mtm105 -56.79 -60.96 2.79 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.228 0.455 . . . . 10.0 112.228 -179.513 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 2.6 m -68.37 -18.84 64.57 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.804 -0.635 . . . . 10.0 112.525 -178.568 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 17.2 m-30 -82.22 -38.91 23.85 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.948 -0.301 . . . . 10.0 110.813 179.64 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 93.23 11.13 58.87 Favored Glycine 0 C--N 1.332 0.318 0 C-N-CA 121.038 -0.601 . . . . 10.0 112.379 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 44.3 pt -102.59 156.38 35.35 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-O 120.499 0.19 . . . . 10.0 110.82 -179.5 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -88.44 158.0 6.63 Favored 'Trans proline' 0 N--CA 1.457 -0.653 0 C-N-CA 122.755 2.303 . . . . 10.0 112.274 179.668 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -133.57 132.75 41.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.849 -0.614 . . . . 10.0 110.184 179.63 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 3.5 mp -130.59 139.12 52.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.408 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -77.37 136.55 38.44 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.581 -0.896 . . . . 10.0 108.581 178.314 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -136.83 153.66 50.73 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 113.344 0.868 . . . . 10.0 113.344 -178.201 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 15.7 t -153.65 117.96 4.87 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.807 -1.088 . . . . 10.0 108.287 178.546 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -79.79 -16.12 56.13 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.003 0.43 . . . . 10.0 110.701 -179.568 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 72.4 tttt -72.02 -32.73 67.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.833 -0.621 . . . . 10.0 110.658 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 2.0 p -115.95 -10.34 11.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.306 -0.406 . . . . 10.0 110.965 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 3.9 mtt-85 66.87 25.51 9.49 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 115.525 -0.761 . . . . 10.0 111.956 -179.391 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -75.03 118.63 18.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.298 -0.41 . . . . 10.0 111.55 -179.65 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 66.81 13.32 61.2 Favored Glycine 0 C--N 1.335 0.474 0 CA-C-N 115.975 -0.557 . . . . 10.0 114.191 178.583 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 41.8 t -67.9 -56.3 13.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 112.564 0.579 . . . . 10.0 112.564 -178.653 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.15 -38.41 90.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.654 0.264 . . . . 10.0 110.942 -178.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -63.11 -38.53 91.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.349 -0.387 . . . . 10.0 111.613 -179.595 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -59.37 -40.23 85.82 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.814 0.34 . . . . 10.0 110.438 179.568 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -69.3 -38.66 78.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.831 179.434 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 19.0 m-30 -68.42 -33.3 73.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.886 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 32.5 m -61.88 -37.1 83.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.069 179.494 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 159' ' ' LEU . . . . . 0.483 HD22 HD13 ' B' ' 79' ' ' LEU . 54.0 tp -62.07 -39.68 93.23 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.448 179.484 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 160' ' ' VAL . . . . . 0.783 HG21 HD13 ' B' ' 46' ' ' ILE . 3.4 t -68.85 -38.61 78.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.232 179.595 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 1.7 tpp180 -59.02 -40.46 85.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.681 -0.691 . . . . 10.0 111.068 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -64.02 -36.66 84.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 10.0 111.176 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 69.2 mt -68.22 -40.18 82.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.131 -0.486 . . . . 10.0 109.722 179.564 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 164' ' ' ARG . . . . . 0.404 ' HG3' ' O ' ' B' ' 160' ' ' VAL . 57.0 mtp180 -66.5 -32.97 74.67 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.337 0.589 . . . . 10.0 110.317 179.372 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -65.77 -46.47 78.65 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.749 -0.659 . . . . 10.0 110.017 178.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 33.3 t-80 -61.99 -49.12 77.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.846 -0.616 . . . . 10.0 111.819 -179.566 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -49.54 -48.43 48.33 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 113.029 0.751 . . . . 10.0 113.029 -178.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -71.41 -50.05 35.78 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 113.001 0.741 . . . . 10.0 113.001 -178.681 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 17.8 mtpp -61.95 -38.33 88.08 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.102 0.408 . . . . 10.0 112.102 -178.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 21.7 ttt -66.42 -26.25 67.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 10.0 111.696 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 67.4 m -65.29 -20.72 66.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.357 -0.383 . . . . 10.0 111.661 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -109.49 11.9 24.73 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.91 0.386 . . . . 10.0 110.102 178.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 173' ' ' ASP . . . . . 0.613 ' OD2' ' HE2' ' B' ' 176' ' ' LYS . 18.2 t70 66.49 -83.53 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.372 -0.831 . . . . 10.0 112.224 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . 177.88 -113.13 0.4 Allowed Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.569 -0.824 . . . . 10.0 112.665 -179.335 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 175' ' ' LYS . . . . . 0.685 ' HG2' ' HB2' ' B' ' 180' ' ' LYS . 8.1 mptt -127.85 -57.75 1.25 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.973 0.416 . . . . 10.0 111.042 -179.337 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 176' ' ' LYS . . . . . 0.728 ' HE3' ' HE2' ' C' ' 182' ' ' LYS . 71.2 mmtt 75.73 -46.98 0.57 Allowed 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 114.218 1.192 . . . . 10.0 114.218 179.736 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 177' ' ' LYS . . . . . 0.917 ' HE2' ' HA ' ' B' ' 177' ' ' LYS . 5.2 mmpt? -78.85 -8.56 58.93 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.373 0.509 . . . . 10.0 112.373 -179.123 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 21.3 mtmm 62.79 23.89 14.24 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.256 -0.429 . . . . 10.0 111.921 179.356 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 179' ' ' LYS . . . . . 0.455 ' HG2' ' HB3' ' B' ' 177' ' ' LYS . 32.2 mmmt -88.41 16.55 6.27 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.31 0.576 . . . . 10.0 111.178 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 180' ' ' LYS . . . . . 0.685 ' HB2' ' HG2' ' B' ' 175' ' ' LYS . 28.8 mmtp -132.54 169.28 16.82 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.914 -0.584 . . . . 10.0 109.965 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.53 -170.37 0.2 Allowed 'General case' 0 C--O 1.238 0.486 0 CA-C-N 116.272 -0.422 . . . . 10.0 111.456 -179.417 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 8.5 mtpt -59.85 -72.87 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.078 0.466 . . . . 10.0 110.988 179.703 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -98.81 -54.53 2.98 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.248 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 184' ' ' LYS . . . . . 0.481 ' HE2' ' OE2' ' C' ' 107' ' ' GLU . 1.9 ttpm? . . . . . 0 C--O 1.236 0.365 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.886 -179.388 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 13.3 m . . . . . 0 C--O 1.237 0.429 0 CA-C-O 121.022 0.439 . . . . 10.0 111.005 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 1.2 m -93.87 125.8 38.7 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.421 -179.631 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -93.93 134.48 36.27 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 116.403 -0.362 . . . . 10.0 110.109 179.412 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -123.19 116.95 24.25 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.611 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 58.2 mttm -87.96 106.66 18.27 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.037 -0.529 . . . . 10.0 109.669 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 14.8 mt -111.74 131.57 55.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.96 -0.564 . . . . 10.0 111.527 -178.268 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 32.4 t -116.78 127.99 74.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.288 -0.415 . . . . 10.0 110.163 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.428 HG12 ' HD2' ' C' ' 16' ' ' LYS . 6.4 t -91.89 113.25 26.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 109.152 -0.685 . . . . 10.0 109.152 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 18.0 m -113.25 151.99 15.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.208 0.528 . . . . 10.0 111.604 -178.639 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 156.28 178.08 30.08 Favored Glycine 0 N--CA 1.446 -0.648 0 N-CA-C 111.329 -0.708 . . . . 10.0 111.329 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 11' ' ' ALA . . . . . 0.414 ' HB3' ' HB3' ' C' ' 89' ' ' SER . . . -75.3 154.26 37.47 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.266 0.555 . . . . 10.0 111.385 -179.578 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -68.81 111.69 5.04 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.573 -0.739 . . . . 10.0 110.991 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.5 -0.89 14.11 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.481 -0.866 . . . . 10.0 113.812 178.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 33.6 m -76.46 -25.0 16.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.997 0.398 . . . . 10.0 111.74 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 108.3 30.87 3.7 Favored Glycine 0 CA--C 1.52 0.403 0 C-N-CA 120.558 -0.829 . . . . 10.0 113.167 179.263 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 16' ' ' LYS . . . . . 0.428 ' HD2' HG12 ' C' ' 8' ' ' VAL . 27.3 mtmt -62.46 -37.04 84.39 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.01 0.433 . . . . 10.0 110.974 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 3.7 m -73.83 -44.3 56.09 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.281 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.24 -48.72 78.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.949 -0.569 . . . . 10.0 111.553 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 60.7 mt -59.27 -47.67 84.5 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.903 0.383 . . . . 10.0 111.134 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 10.1 m -64.16 -45.9 86.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 10.0 111.693 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.23 -32.44 54.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.553 0.216 . . . . 10.0 110.842 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 22' ' ' GLN . . . . . 0.544 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 6.3 mm-40 -64.07 -22.3 66.87 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 112.266 0.469 . . . . 10.0 112.266 179.624 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 22.2 tp -103.18 -34.73 8.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.943 0.402 . . . . 10.0 110.612 179.173 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 24' ' ' ILE . . . . . 0.528 HD11 HD12 ' C' ' 55' ' ' ILE . 41.3 mm -74.99 -62.9 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.096 -0.502 . . . . 10.0 111.929 -179.46 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -93.91 -17.8 22.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.908 0.385 . . . . 10.0 110.82 -179.524 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 26' ' ' ASN . . . . . 0.544 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 0.7 OUTLIER 70.31 41.94 0.98 Allowed 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 114.099 1.148 . . . . 10.0 114.099 177.931 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 12.4 p80 -150.14 160.27 43.79 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 110.096 -0.335 . . . . 10.0 110.096 178.494 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -106.21 142.43 35.91 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.742 0.306 . . . . 10.0 111.297 -178.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 2.4 m -119.26 128.52 75.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.307 179.344 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -88.96 -24.81 22.33 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.27 0.557 . . . . 10.0 110.495 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -72.8 149.77 43.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.873 -0.603 . . . . 10.0 110.561 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 32' ' ' TYR . . . . . 0.978 ' CE1' H5'2 ' C' ' 201' ' ' GSP . 11.7 t80 -97.71 127.23 43.51 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.329 0.492 . . . . 10.0 112.329 -179.484 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -132.31 98.65 16.72 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.08 179.155 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -53.3 119.36 6.03 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 123.159 2.573 . . . . 10.0 111.956 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 35' ' ' THR . . . . . 0.424 ' OG1' ' O3G' ' C' ' 201' ' ' GSP . 0.2 OUTLIER -95.6 116.72 29.25 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.293 -179.631 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 36' ' ' ILE . . . . . 0.419 ' HA ' ' HB2' ' C' ' 59' ' ' ALA . 51.4 mm -75.95 -49.34 26.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 108.48 -0.933 . . . . 10.0 108.48 178.178 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 37' ' ' GLU . . . . . 0.675 ' HG3' HG22 ' C' ' 58' ' ' THR . 22.3 tt0 -176.65 96.61 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 114.926 -1.034 . . . . 10.0 109.892 178.755 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -116.25 147.01 41.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.014 -0.539 . . . . 10.0 110.124 -179.424 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 39' ' ' SER . . . . . 0.42 ' HB2' ' NH1' ' C' ' 41' ' ' ARG . 5.3 p -127.05 141.51 51.76 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.775 0.321 . . . . 10.0 111.213 -179.566 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -133.3 140.33 47.38 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.665 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 41' ' ' ARG . . . . . 0.5 ' HA ' ' O ' ' C' ' 53' ' ' LEU . 2.1 mpp_? -113.74 135.64 53.72 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.817 0.341 . . . . 10.0 110.845 179.682 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 41.1 tttp -148.75 130.68 15.24 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.207 -0.451 . . . . 10.0 110.433 179.536 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.84 121.92 38.08 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.121 -0.49 . . . . 10.0 109.863 179.096 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 12.8 m -133.26 162.24 40.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.949 0.404 . . . . 10.0 111.036 -179.486 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 14.5 t -102.54 100.64 10.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.899 -0.591 . . . . 10.0 109.742 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 46' ' ' ILE . . . . . 0.473 ' HB ' ' SG ' ' C' ' 51' ' ' CYS . 51.9 mt -107.02 117.9 53.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.312 -179.705 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 47' ' ' ASP . . . . . 0.542 ' HA ' ' HB3' ' B' ' 128' ' ' LYS . 12.2 m-20 61.28 24.03 14.19 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.703 -0.681 . . . . 10.0 111.576 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.41 0.71 72.8 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.625 -0.798 . . . . 10.0 112.391 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -104.45 142.92 33.75 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.887 0.375 . . . . 10.0 110.95 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 7.2 m -81.31 100.17 9.04 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.064 -1.088 . . . . 10.0 108.064 178.108 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 51' ' ' CYS . . . . . 0.473 ' SG ' ' HB ' ' C' ' 46' ' ' ILE . 11.5 m -101.41 129.84 47.51 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.205 -0.452 . . . . 10.0 112.116 -178.112 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 62.1 tp -97.99 111.23 23.62 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.256 -1.016 . . . . 10.0 108.256 178.246 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 53' ' ' LEU . . . . . 0.5 ' O ' ' HA ' ' C' ' 41' ' ' ARG . 16.9 mt -90.52 127.25 36.18 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 112.534 0.568 . . . . 10.0 112.534 -178.646 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -116.68 84.47 2.14 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 106.895 -1.521 . . . . 10.0 106.895 177.161 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 55' ' ' ILE . . . . . 0.528 HD12 HD11 ' C' ' 24' ' ' ILE . 10.9 mt -84.88 140.12 16.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.54 -0.755 . . . . 10.0 111.747 -177.724 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 56' ' ' LEU . . . . . 0.488 HD11 ' HG2' ' C' ' 37' ' ' GLU . 23.5 tp -132.94 116.23 16.19 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.29 -0.414 . . . . 10.0 111.522 -179.688 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -100.12 104.67 16.24 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 109.476 -0.564 . . . . 10.0 109.476 178.271 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 58' ' ' THR . . . . . 0.675 HG22 ' HG3' ' C' ' 37' ' ' GLU . 45.9 p -93.47 165.03 12.96 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 116.012 -0.54 . . . . 10.0 111.27 -179.227 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 59' ' ' ALA . . . . . 0.419 ' HB2' ' HA ' ' C' ' 36' ' ' ILE . . . -68.84 132.81 47.36 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.573 179.598 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -112.16 30.38 7.7 Favored Glycine 0 CA--C 1.517 0.177 0 N-CA-C 111.583 -0.607 . . . . 10.0 111.583 179.681 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -94.15 20.6 7.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.826 0.346 . . . . 10.0 111.113 -179.348 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 62' ' ' GLU . . . . . 0.501 ' HG3' ' H ' ' C' ' 63' ' ' GLU . 2.8 tp10 62.04 -170.45 0.17 Allowed 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.601 -0.727 . . . . 10.0 111.799 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 63' ' ' GLU . . . . . 0.501 ' H ' ' HG3' ' C' ' 62' ' ' GLU . 1.2 tm-20 75.53 -38.12 0.35 Allowed 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.49 0.716 . . . . 10.0 111.964 179.602 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 64' ' ' TYR . . . . . 0.504 ' O ' ' HB2' ' C' ' 68' ' ' ARG . 77.6 m-85 -74.76 49.29 0.4 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.351 0.5 . . . . 10.0 112.351 -179.677 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.53 -37.04 82.14 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.727 0.299 . . . . 10.0 110.838 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.66 -43.98 44.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.302 0.572 . . . . 10.0 110.401 179.699 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 67' ' ' MET . . . . . 0.467 ' HB3' ' HB3' ' C' ' 64' ' ' TYR . 21.2 ttt -65.1 -30.48 71.43 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.787 -0.642 . . . . 10.0 110.913 179.431 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 68' ' ' ARG . . . . . 0.65 ' HA ' ' CE1' ' C' ' 71' ' ' TYR . 20.3 ttp180 -66.01 -45.83 80.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.639 -0.71 . . . . 10.0 110.493 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -57.51 -41.76 81.44 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.755 -0.657 . . . . 10.0 111.265 -179.586 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -55.64 -51.24 67.87 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 113.071 0.767 . . . . 10.0 113.071 -179.115 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 71' ' ' TYR . . . . . 0.65 ' CE1' ' HA ' ' C' ' 68' ' ' ARG . 10.0 p90 -78.92 -10.96 59.97 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 113.431 0.9 . . . . 10.0 113.431 -178.562 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 72' ' ' MET . . . . . 0.462 ' HE3' ' HG2' ' C' ' 68' ' ' ARG . 37.4 mtt -71.89 -22.9 61.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.082 0.468 . . . . 10.0 110.761 179.679 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 15.8 mtt180 -74.93 -43.3 54.97 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.704 -0.68 . . . . 10.0 111.098 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.68 -28.82 51.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.435 -0.348 . . . . 10.0 111.357 179.777 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.08 126.6 31.68 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.979 -0.629 . . . . 10.0 113.188 -179.348 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -96.44 -50.86 4.58 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.666 -0.494 . . . . 10.0 109.666 179.078 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -114.1 129.1 8.57 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 110.922 -0.871 . . . . 10.0 110.922 179.635 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 78' ' ' PHE . . . . . 0.672 ' HB2' ' HG2' ' C' ' 111' ' ' MET . 89.5 m-85 -107.92 116.59 32.24 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.354 0.597 . . . . 10.0 111.976 -178.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 79' ' ' LEU . . . . . 0.661 HD13 HD22 ' C' ' 159' ' ' LEU . 14.6 tp -88.19 96.81 10.69 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.219 -0.9 . . . . 10.0 109.582 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 80' ' ' CYS . . . . . 0.566 ' HB3' HD12 ' C' ' 93' ' ' ILE . 58.5 m -78.36 96.19 5.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.116 -0.493 . . . . 10.0 109.936 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 51.1 t -103.89 134.58 44.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.095 -0.502 . . . . 10.0 111.191 -179.081 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 27.9 p90 -138.43 167.93 20.85 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.008 179.341 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 83' ' ' ALA . . . . . 0.463 ' HB3' ' HB3' ' C' ' 86' ' ' ASN . . . -105.01 133.51 49.67 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.187 -0.461 . . . . 10.0 110.193 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 84' ' ' ILE . . . . . 0.443 HD13 ' HA ' ' C' ' 118' ' ' CYS . 36.7 pt -69.8 -16.44 20.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.921 0.391 . . . . 10.0 111.465 -179.727 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -98.47 -0.85 42.65 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.546 179.156 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 86' ' ' ASN . . . . . 0.463 ' HB3' ' HB3' ' C' ' 83' ' ' ALA . 22.8 t-20 -126.72 99.34 5.73 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.634 -179.758 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 1.5 m -62.12 -30.99 71.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.898 -0.592 . . . . 10.0 111.719 -178.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -57.99 -47.73 82.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.368 -0.378 . . . . 10.0 111.227 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 89' ' ' SER . . . . . 0.439 ' HA ' ' HB2' ' C' ' 92' ' ' ASP . 62.3 p -61.81 -31.03 71.23 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.262 0.467 . . . . 10.0 112.262 -179.813 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -67.74 -43.02 80.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.214 0.531 . . . . 10.0 110.435 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -80.2 -23.31 41.05 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.068 -0.515 . . . . 10.0 110.875 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 92' ' ' ASP . . . . . 0.439 ' HB2' ' HA ' ' C' ' 89' ' ' SER . 0.3 OUTLIER -62.26 -32.03 72.69 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.416 -0.811 . . . . 10.0 110.538 179.671 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 93' ' ' ILE . . . . . 0.566 HD12 ' HB3' ' C' ' 80' ' ' CYS . 49.9 mm -56.87 -38.44 59.15 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-N 115.629 -0.714 . . . . 10.0 111.711 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -60.96 -42.39 98.2 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.31 -0.404 . . . . 10.0 110.473 -179.667 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 40.3 m80 -62.66 -39.97 95.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.553 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -69.42 -44.11 72.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.991 -0.549 . . . . 10.0 111.309 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -56.7 -46.7 81.07 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.49 -0.323 . . . . 10.0 111.369 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -61.18 -38.57 86.98 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.984 -0.553 . . . . 10.0 111.685 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 99' ' ' GLN . . . . . 0.415 ' O ' HG23 ' C' ' 103' ' ' VAL . 56.4 tt0 -71.15 -45.06 64.29 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.626 -0.43 . . . . 10.0 110.985 179.332 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 87.4 mt -55.74 -43.53 74.01 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-O 121.094 0.474 . . . . 10.0 109.936 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 3.8 mtmt -62.18 -35.46 78.92 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.357 -0.838 . . . . 10.0 111.063 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 33.1 ttm180 -73.67 -37.81 65.14 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.126 -0.488 . . . . 10.0 111.489 -179.238 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 103' ' ' VAL . . . . . 0.415 HG23 ' O ' ' C' ' 99' ' ' GLN . 60.4 t -72.5 -54.15 17.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 112.246 0.461 . . . . 10.0 112.246 -178.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -80.33 -21.08 42.87 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 116.419 -0.355 . . . . 10.0 111.952 -178.643 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 21.8 t70 59.69 60.54 2.19 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.687 0.756 . . . . 10.0 110.704 -179.47 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 23.2 t -156.6 140.44 16.16 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.181 -0.918 . . . . 10.0 109.454 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 107' ' ' GLU . . . . . 0.481 ' OE2' ' HE2' ' B' ' 184' ' ' LYS . 11.8 tp10 -88.02 -39.3 14.77 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.495 0.664 . . . . 10.0 109.488 179.56 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -85.4 90.56 7.97 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.478 -0.783 . . . . 10.0 109.763 179.397 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 41.2 t -118.09 130.91 24.43 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 116.053 -0.522 . . . . 10.0 110.251 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -66.39 97.14 0.36 Allowed 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.831 2.354 . . . . 10.0 111.417 179.115 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 111' ' ' MET . . . . . 0.672 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 72.1 mtm -136.29 143.54 44.25 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.959 -0.564 . . . . 10.0 109.993 179.778 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 112' ' ' VAL . . . . . 0.484 HG13 ' HG2' ' C' ' 140' ' ' PRO . 60.1 t -124.6 141.7 43.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.631 -0.507 . . . . 10.0 109.631 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 113' ' ' LEU . . . . . 0.45 ' O ' ' HA ' ' C' ' 141' ' ' PHE . 18.9 tp -98.79 117.72 33.91 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.214 -0.662 . . . . 10.0 109.214 179.251 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 53.5 t -126.24 129.13 72.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.134 0.493 . . . . 10.0 111.63 -178.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -101.22 136.13 12.55 Favored Glycine 0 N--CA 1.448 -0.51 0 N-CA-C 110.074 -1.211 . . . . 10.0 110.074 178.471 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -109.29 165.42 11.64 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 117.229 0.515 . . . . 10.0 110.986 -179.497 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 117' ' ' LYS . . . . . 0.506 ' HB3' HD12 ' C' ' 120' ' ' LEU . 82.7 mttt 63.1 35.66 12.78 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.726 -0.67 . . . . 10.0 112.643 179.34 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 118' ' ' CYS . . . . . 0.499 ' SG ' ' HB3' ' C' ' 143' ' ' GLU . 1.4 m -72.05 -8.21 53.27 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 112.95 0.722 . . . . 10.0 112.95 -179.671 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -86.72 -14.79 41.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.899 0.38 . . . . 10.0 110.325 179.389 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 120' ' ' LEU . . . . . 0.506 HD12 ' HB3' ' C' ' 117' ' ' LYS . 53.8 mt -85.93 129.28 54.88 Favored Pre-proline 0 C--O 1.235 0.335 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.175 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 121' ' ' PRO . . . . . 0.502 ' HD3' ' HA ' ' C' ' 120' ' ' LEU . 10.3 Cg_exo -71.59 165.93 30.99 Favored 'Trans proline' 0 C--O 1.235 0.367 0 C-N-CA 122.902 2.401 . . . . 10.0 112.412 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 6.1 m 66.25 77.17 0.29 Allowed 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.68 -0.691 . . . . 10.0 111.085 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 123' ' ' ARG . . . . . 0.472 ' HD2' ' HA ' ' C' ' 126' ' ' ASP . 2.6 ptp180 -106.66 144.13 33.77 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.637 -0.711 . . . . 10.0 111.415 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.56 -37.68 13.68 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.351 -0.386 . . . . 10.0 110.261 179.458 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 25.6 t -96.35 101.61 12.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.057 -0.52 . . . . 10.0 110.482 179.569 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 126' ' ' ASP . . . . . 0.472 ' HA ' ' HD2' ' C' ' 123' ' ' ARG . 20.0 t70 -78.11 156.17 30.11 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.755 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 3.1 m -55.96 -30.25 61.43 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 112.026 0.38 . . . . 10.0 112.026 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 128' ' ' LYS . . . . . 0.526 ' HD2' ' HA ' ' B' ' 47' ' ' ASP . 37.8 mtmm -57.72 -63.61 1.18 Allowed 'General case' 0 N--CA 1.46 0.072 0 CA-C-O 120.85 0.357 . . . . 10.0 111.422 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -66.42 -30.51 70.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.345 -0.389 . . . . 10.0 112.036 -179.226 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.49 -49.21 69.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.844 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -72.68 -24.34 61.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.527 -0.306 . . . . 10.0 111.266 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -63.9 -38.79 92.37 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.352 0.596 . . . . 10.0 110.368 178.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 42.5 tp -66.8 -42.63 85.62 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.921 -0.581 . . . . 10.0 109.689 179.195 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -68.02 -33.18 74.12 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 115.572 -0.74 . . . . 10.0 109.842 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 135' ' ' ARG . . . . . 0.453 HH11 ' HD3' ' C' ' 135' ' ' ARG . 9.3 ttt180 -63.04 -40.03 96.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.504 -0.771 . . . . 10.0 110.097 179.074 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 18.3 m -73.75 -38.77 64.61 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.914 -0.585 . . . . 10.0 111.078 179.711 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 5.3 m-30 -74.07 -31.18 62.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.174 -0.467 . . . . 10.0 111.839 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 85.97 30.7 22.49 Favored Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 111.13 -0.788 . . . . 10.0 111.13 -179.525 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 139' ' ' ILE . . . . . 0.537 ' HB ' ' HD2' ' C' ' 140' ' ' PRO . 44.9 pt -120.62 163.23 30.28 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 115.461 -0.37 . . . . 10.0 110.367 -179.446 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 140' ' ' PRO . . . . . 0.537 ' HD2' ' HB ' ' C' ' 139' ' ' ILE . 72.0 Cg_endo -81.35 153.23 18.29 Favored 'Trans proline' 0 CA--C 1.534 0.508 0 C-N-CA 122.292 1.995 . . . . 10.0 112.914 179.679 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 141' ' ' PHE . . . . . 0.45 ' HA ' ' O ' ' C' ' 113' ' ' LEU . 79.9 t80 -130.19 130.7 45.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.009 179.663 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 8.3 mt -130.57 131.95 64.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.548 -0.296 . . . . 10.0 110.839 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 143' ' ' GLU . . . . . 0.499 ' HB3' ' SG ' ' C' ' 118' ' ' CYS . 52.4 mt-10 -96.25 117.44 30.8 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.475 -0.935 . . . . 10.0 108.475 177.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 144' ' ' THR . . . . . 0.589 HG22 ' HA3' ' C' ' 151' ' ' GLY . 81.1 p -125.69 -172.79 2.68 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.885 0.698 . . . . 10.0 112.885 -177.395 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 3.5 t -161.64 122.41 2.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.874 -1.057 . . . . 10.0 108.336 179.142 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 146' ' ' ALA . . . . . 0.5 ' HB3' ' N7 ' ' C' ' 201' ' ' GSP . . . -73.09 -33.99 65.92 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.29 -0.414 . . . . 10.0 110.766 -178.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 147' ' ' LYS . . . . . 0.439 ' HB2' ' N1 ' ' C' ' 201' ' ' GSP . 32.0 ttpt -63.94 -43.92 94.42 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.42 -0.355 . . . . 10.0 111.432 -179.783 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 18.8 p -87.98 -8.29 55.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.015 0.436 . . . . 10.0 110.308 179.171 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 6.4 ttt-85 64.09 20.49 12.21 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.298 -0.865 . . . . 10.0 111.379 -179.691 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -82.0 125.0 30.28 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.548 -0.751 . . . . 10.0 111.353 -179.189 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 151' ' ' GLY . . . . . 0.589 ' HA3' HG22 ' C' ' 144' ' ' THR . . . 77.52 0.17 71.98 Favored Glycine 0 CA--C 1.52 0.391 0 N-CA-C 114.773 0.669 . . . . 10.0 114.773 178.223 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 79.0 t -57.0 -45.16 83.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.157 0.503 . . . . 10.0 111.431 -179.402 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.33 -46.51 69.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.607 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -57.48 -37.79 73.49 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.452 -0.34 . . . . 10.0 111.8 -179.53 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -57.37 -40.66 78.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.426 . . . . 10.0 111.599 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -87.57 -40.84 13.9 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 111.923 0.342 . . . . 10.0 111.923 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -59.93 -51.31 70.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.495 . . . . 10.0 111.65 -179.538 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 158' ' ' THR . . . . . 0.701 ' HA ' ' HE ' ' C' ' 161' ' ' ARG . 24.3 m -68.95 -27.65 65.94 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 112.161 0.43 . . . . 10.0 112.161 -178.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 159' ' ' LEU . . . . . 0.661 HD22 HD13 ' C' ' 79' ' ' LEU . 56.1 tp -64.29 -38.47 91.14 Favored 'General case' 0 C--N 1.333 -0.114 0 N-CA-C 109.262 -0.644 . . . . 10.0 109.262 178.838 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 48.8 t -67.85 -35.71 73.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.226 -0.897 . . . . 10.0 109.574 178.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 161' ' ' ARG . . . . . 0.701 ' HE ' ' HA ' ' C' ' 158' ' ' THR . 0.0 OUTLIER -64.06 -35.92 82.32 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.745 -0.662 . . . . 10.0 111.286 179.709 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -63.76 -36.15 82.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.651 0.262 . . . . 10.0 110.659 179.283 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 54.4 mt -65.42 -43.02 94.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.339 -0.391 . . . . 10.0 110.004 179.141 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 5.5 mtt85 -67.49 -42.48 82.82 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.04 0.448 . . . . 10.0 109.843 178.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 165' ' ' LYS . . . . . 0.454 ' HE2' ' HA ' ' B' ' 135' ' ' ARG . 27.1 ttmt -61.6 -36.68 81.39 Favored 'General case' 0 C--O 1.222 -0.343 0 CA-C-N 115.816 -0.629 . . . . 10.0 109.584 179.026 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 14.8 t-80 -59.81 -45.81 91.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 10.0 109.957 179.036 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -65.56 -38.29 89.14 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.275 179.668 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -64.95 -53.04 52.61 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.107 178.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 20.8 mtpt -61.58 -35.94 79.23 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.569 -0.741 . . . . 10.0 111.657 -179.567 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 62.2 mmm -71.08 -15.11 62.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.311 -0.404 . . . . 10.0 112.041 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 36.0 m -71.12 -20.98 62.26 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.259 0.552 . . . . 10.0 110.055 179.069 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 172' ' ' LYS . . . . . 0.473 ' O ' ' HG2' ' C' ' 175' ' ' LYS . 38.5 mttm -96.78 -39.9 9.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.522 -0.763 . . . . 10.0 110.493 179.432 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 173' ' ' ASP . . . . . . . . . . . . . 22.5 t70 54.08 -101.39 0.12 Allowed 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.883 -0.599 . . . . 10.0 112.574 179.315 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 174' ' ' GLY . . . . . 0.498 ' HA2' ' NZ ' ' C' ' 178' ' ' LYS . . . -129.67 20.69 5.15 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 121.046 -0.597 . . . . 10.0 112.769 -179.425 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 175' ' ' LYS . . . . . 0.473 ' HG2' ' O ' ' C' ' 172' ' ' LYS . 12.5 ptpt -94.23 152.13 18.93 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.892 0.346 . . . . 10.0 111.912 -179.455 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 176' ' ' LYS . . . . . 0.678 ' HE2' ' C4 ' ' C' ' 212' ' ' PCW . 71.9 mmtt 73.65 -176.13 0.16 Allowed 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.433 -0.803 . . . . 10.0 112.21 179.762 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 177' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.44 -6.62 52.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.381 -0.372 . . . . 10.0 111.927 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 178' ' ' LYS . . . . . 0.498 ' NZ ' ' HA2' ' C' ' 174' ' ' GLY . 34.0 mttt 69.76 -79.75 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 115.64 -0.709 . . . . 10.0 112.519 179.357 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 179' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -166.99 -53.19 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.707 0.289 . . . . 10.0 111.114 -179.518 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 180' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -68.42 156.78 37.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.168 0.508 . . . . 10.0 112.216 -179.581 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 14.5 m -139.92 -157.17 0.74 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.622 -0.717 . . . . 10.0 110.135 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 182' ' ' LYS . . . . . 0.728 ' HE2' ' HE3' ' B' ' 176' ' ' LYS . 20.5 ttmm -161.82 94.96 0.96 Allowed 'General case' 0 CA--C 1.529 0.149 0 CA-C-O 120.717 0.294 . . . . 10.0 110.501 179.154 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 54.0 m -154.4 136.04 14.35 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.047 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 184' ' ' LYS . . . . . 0.489 ' H ' ' C3 ' ' B' ' 209' ' ' 17F . 21.7 ptmt . . . . . 0 C--N 1.324 -0.53 0 CA-C-O 120.859 0.361 . . . . 10.0 111.254 179.48 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 401' ' ' PCW . . . . . 1.091 H322 H382 ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 402' ' ' PCW . . . . . 0.963 H451 ' H51' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 403' ' ' PCW . . . . . 1.119 ' H31' ' H41' ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 404' ' ' PCW . . . . . 1.147 H182 H221 ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 405' ' ' PCW . . . . . 0.952 H361 H441 ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 406' ' ' PCW . . . . . 1.076 ' H20' ' H31' ' B' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 407' ' ' PCW . . . . . 1.121 H212 ' C17' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 408' ' ' PCW . . . . . 0.955 H152 H232 ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 409' ' ' PCW . . . . . 1.205 ' C19' H142 ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 410' ' ' PCW . . . . . 1.023 H371 ' H63' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 411' ' ' PCW . . . . . 0.97 H272 ' H39' ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 412' ' ' PCW . . . . . 1.04 H483 H271 ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 413' ' ' PCW . . . . . 0.97 ' H39' H272 ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 414' ' ' PCW . . . . . 1.12 H351 ' O2 ' ' A' ' 414' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 415' ' ' 17F . . . . . 1.068 ' H33' H132 ' A' ' 414' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 416' ' ' 17F . . . . . 0.978 ' H65' H272 ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 417' ' ' PCW . . . . . 0.927 ' H19' ' C43' ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 418' ' ' PCW . . . . . 0.975 H331 H132 ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 419' ' ' PCW . . . . . 0.989 ' C40' H441 ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 420' ' ' PCW . . . . . 0.958 H372 ' C43' ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 421' ' ' PCW . . . . . 1.081 H372 ' C14' ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 422' ' ' 17F . . . . . 1.14 ' H4A' ' C13' ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 601' ' ' PCW . . . . . 0.972 H421 H461 ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 602' ' ' PCW . . . . . 1.013 H172 H212 ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 603' ' ' PCW . . . . . 1.083 H412 H371 ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 604' ' ' PCW . . . . . 0.977 H461 H282 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 605' ' ' PCW . . . . . 1.052 H182 H362 ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 606' ' ' PCW . . . . . 1.118 H422 ' H31' ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 607' ' ' PCW . . . . . 0.91 ' H31' H372 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 608' ' ' PCW . . . . . 1.07 ' H19' H151 ' D' ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 609' ' ' PCW . . . . . 1.118 ' H31' H422 ' D' ' 606' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 610' ' ' PCW . . . . . 0.987 ' H63' ' H6A' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 611' ' ' PCW . . . . . 1.028 H142 H261 ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 612' ' ' PCW . . . . . 1.083 ' H63' ' C32' ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 613' ' ' PCW . . . . . 1.019 H212 H172 ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 614' ' ' PCW . . . . . 1.084 H482 H211 ' D' ' 620' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 615' ' ' PCW . . . . . 0.975 H461 H421 ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 616' ' ' PCW . . . . . 0.965 ' H51' ' C3 ' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 617' ' ' PCW . . . . . 1.105 H281 H283 ' D' ' 619' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 618' ' ' PCW . . . . . 1.081 ' C14' H372 ' A' ' 421' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 619' ' ' PCW . . . . . 1.105 H283 H281 ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 620' ' ' PCW . . . . . 1.084 H211 H482 ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 621' ' ' PCW . . . . . 1.072 H152 ' H18' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 622' ' ' PCW . . . . . 1.14 ' C13' ' H4A' ' A' ' 422' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 623' ' ' PCW . . . . . 1.083 ' C32' ' H63' ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 624' ' ' PCW . . . . . 1.088 H261 H242 ' C' ' 217' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 625' ' ' PCW . . . . . 1.066 H261 H421 ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 626' ' ' PCW . . . . . 0.977 H282 H461 ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 627' ' ' PCW . . . . . 1.125 ' H41' ' H2 ' ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 628' ' ' 17F . . . . . 1.044 ' H57' H19A ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 629' ' ' 17F . . . . . 0.981 ' H76' H252 ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 630' ' ' 17F . . . . . 0.98 ' H57' H162 ' A' ' 421' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 631' ' ' 17F . . . . . 0.987 ' H6A' ' H63' ' D' ' 610' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 632' ' ' 17F . . . . . 1.075 ' H75' H412 ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 201' ' ' GSP . . . . . 0.644 ' H8 ' ' HA2' ' B' ' 15' ' ' GLY . . . . . . . . 0 O4'--C1' 1.433 1.596 2 C1'-O4'-C4' 100.986 -9.571 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 202' ' ' ' MG' . . . . . 0.627 'MG ' ' O3G' ' B' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 203' ' ' PCW . . . . . 1.061 H211 ' H19' ' B' ' 209' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 204' ' ' PCW . . . . . 0.978 H272 ' H65' ' A' ' 416' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 205' ' ' PCW . . . . . 1.054 H152 ' H39' ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 206' ' ' PCW . . . . . 1.084 H272 ' H19' ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 207' ' ' PCW . . . . . 1.091 H382 H322 ' A' ' 401' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 208' ' ' PCW . . . . . 1.072 ' H40' H283 ' C' ' 216' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 209' ' ' 17F . . . . . 1.061 ' H19' H211 ' B' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 210' ' ' 17F . . . . . 0.976 ' H1A' H371 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 211' ' ' 17F . . . . . 1.076 ' H31' ' H20' ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 201' ' ' GSP . . . . . 0.978 H5'2 ' CE1' ' C' ' 32' ' ' TYR . . . . . . . . 0 O4'--C1' 1.436 1.821 2 O4'-C1'-N19 112.926 4.726 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 202' ' ' ' MG' . . . . . 0.631 'MG ' ' O3G' ' C' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 203' ' ' PCW . . . . . 1.054 H132 H171 ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 204' ' ' PCW . . . . . 1.04 H271 H483 ' A' ' 412' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 205' ' ' PCW . . . . . 1.084 ' H19' H272 ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 206' ' ' PCW . . . . . 1.118 H242 H431 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 207' ' ' PCW . . . . . 1.18 ' C28' H231 ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 208' ' ' PCW . . . . . 1.118 H431 H242 ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 209' ' ' PCW . . . . . 1.033 H122 H242 ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 210' ' ' PCW . . . . . 1.007 H371 H121 ' C' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 211' ' ' PCW . . . . . 1.001 ' H62' ' H2 ' ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 212' ' ' PCW . . . . . 1.077 H261 H421 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 213' ' ' 17F . . . . . 1.028 H20A H161 ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 214' ' ' 17F . . . . . 1.005 ' H19' ' H73' ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 215' ' ' 17F . . . . . 0.987 ' H64' H152 ' C' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 216' ' ' PCW . . . . . 1.117 H372 H142 ' C' ' 216' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 217' ' ' PCW . . . . . 1.141 H141 ' C1Z' ' C' ' 219' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 218' ' ' 17F . . . . . 1.103 H18A ' O7 ' ' C' ' 218' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 219' ' ' 17F . . . . . 1.141 ' C1Z' H141 ' C' ' 217' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 50.5 mt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 121.024 0.44 . . . . 10.0 110.189 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 14.9 tttm -59.98 -45.05 93.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.803 -0.635 . . . . 10.0 111.414 -179.561 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 91.1 mt -64.88 -33.86 77.02 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.93 0.395 . . . . 10.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 79.4 mt -74.76 -37.46 62.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.978 -0.555 . . . . 10.0 110.623 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -64.92 -49.89 68.63 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.696 -0.684 . . . . 10.0 110.542 179.41 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 206' ' ' ASN . . . . . 0.469 HD21 HD21 ' D' ' 569' ' ' LEU . 15.3 m120 -68.79 -21.94 64.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.933 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 70.7 t90 -71.4 -29.74 65.29 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.146 179.124 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -63.41 -37.03 85.72 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.467 -0.568 . . . . 10.0 109.467 179.043 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.11 -36.86 75.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.662 -0.699 . . . . 10.0 110.032 179.308 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 210' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 206' ' ' ASN . 50.2 t -66.49 -42.73 90.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 108.988 -0.745 . . . . 10.0 108.988 178.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 38.2 m -59.99 -46.86 88.07 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.182 -0.917 . . . . 10.0 111.271 179.267 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.58 -35.69 81.81 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.093 0.473 . . . . 10.0 110.05 179.464 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 61.3 m -62.71 -47.42 83.68 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 109.29 -0.633 . . . . 10.0 109.29 178.348 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 214' ' ' PHE . . . . . 0.409 ' HA ' HD12 ' A' ' 217' ' ' LEU . 5.2 m-85 -65.4 -35.9 82.35 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.997 -0.547 . . . . 10.0 111.016 179.147 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 49.0 m -59.57 -53.58 56.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.558 179.498 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 71.0 mttt -67.93 -28.63 67.65 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.684 0.278 . . . . 10.0 111.002 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 217' ' ' LEU . . . . . 0.622 HD21 H252 ' A' ' 405' ' ' PCW . 16.9 mt -64.94 -42.8 94.32 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.748 -0.834 . . . . 10.0 108.748 177.654 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 218' ' ' ARG . . . . . 0.581 ' HA ' HD12 ' A' ' 221' ' ' LEU . 48.3 mtt180 -68.93 -30.8 69.33 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.628 -0.715 . . . . 10.0 110.02 178.778 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -65.92 -48.02 72.79 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.741 -0.837 . . . . 10.0 108.741 177.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -68.73 -28.76 67.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.274 -0.875 . . . . 10.0 110.917 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 221' ' ' LEU . . . . . 0.581 HD12 ' HA ' ' A' ' 218' ' ' ARG . 13.3 mt -54.84 -33.62 61.91 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.315 -0.402 . . . . 10.0 111.141 179.409 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -56.75 -69.86 1.15 Allowed Glycine 0 CA--C 1.521 0.453 0 N-CA-C 111.567 -0.613 . . . . 10.0 111.567 178.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -53.61 -39.31 83.39 Favored 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 122.65 2.233 . . . . 10.0 111.585 178.491 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 224' ' ' VAL . . . . . 0.477 ' O ' ' HB2' ' A' ' 228' ' ' PHE . 49.5 t -59.39 -51.2 75.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.432 -0.349 . . . . 10.0 111.064 179.714 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 7.9 p -64.54 -38.31 90.56 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.85 -0.34 . . . . 10.0 110.4 179.452 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -61.47 -50.74 71.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.925 179.415 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 73.9 mt-10 -67.42 -44.14 79.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.511 -0.313 . . . . 10.0 111.229 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 228' ' ' PHE . . . . . 0.477 ' HB2' ' O ' ' A' ' 224' ' ' VAL . 0.3 OUTLIER -59.31 -50.56 73.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.435 179.798 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -64.43 -37.82 88.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.385 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -61.09 -46.75 89.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.057 179.304 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 231' ' ' ASN . . . . . 0.681 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 86.8 m-20 -70.48 -37.13 74.19 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.009 -0.542 . . . . 10.0 110.247 179.196 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 232' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 228' ' ' PHE . 51.5 mt -63.45 -35.43 80.42 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.253 -0.647 . . . . 10.0 109.253 178.506 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 233' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' A' ' 237' ' ' GLU . 41.6 mm-40 -65.68 -41.68 92.17 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 109.649 -0.5 . . . . 10.0 109.649 178.719 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 234' ' ' LYS . . . . . 0.681 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 63.4 mttt -62.98 -39.98 96.35 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.136 -0.69 . . . . 10.0 109.136 178.366 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.64 -52.16 58.82 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.277 -0.874 . . . . 10.0 110.13 179.171 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 1.7 p -65.48 -30.58 71.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 10.0 112.009 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 237' ' ' GLU . . . . . 0.419 ' HB2' ' O ' ' A' ' 233' ' ' GLU . 2.5 tt0 -67.79 -44.46 77.32 Favored 'General case' 0 CA--C 1.517 -0.305 0 N-CA-C 108.438 -0.949 . . . . 10.0 108.438 178.358 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -61.64 -42.78 99.81 Favored Glycine 0 N--CA 1.445 -0.751 0 N-CA-C 109.838 -1.305 . . . . 10.0 109.838 177.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 239' ' ' LEU . . . . . 1.01 HD13 H441 ' A' ' 408' ' ' PCW . 79.5 mt -63.59 -33.48 75.69 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.967 0.413 . . . . 10.0 110.387 178.755 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 15.7 mtt180 -72.2 -39.68 68.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.318 -0.401 . . . . 10.0 109.948 178.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -67.34 -38.67 85.21 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.292 -1.003 . . . . 10.0 108.292 177.573 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 242' ' ' GLU . . . . . 0.487 ' OE1' ' HB3' ' D' ' 528' ' ' ARG . 11.0 mt-10 -65.3 -33.87 76.99 Favored 'General case' 0 C--O 1.218 -0.584 0 CA-C-N 114.916 -1.038 . . . . 10.0 110.142 178.103 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 243' ' ' MET . . . . . 0.77 ' HG3' HD12 ' A' ' 247' ' ' LEU . 54.7 ttm -57.29 -30.84 65.05 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.052 0.453 . . . . 10.0 110.485 179.212 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 9.2 m -76.78 8.16 3.97 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 115.392 -0.822 . . . . 10.0 111.063 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -137.65 -56.77 0.68 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.008 -0.542 . . . . 10.0 109.707 179.15 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 246' ' ' ASP . . . . . 0.557 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 22.9 t70 -57.04 -56.85 16.39 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.59 -0.732 . . . . 10.0 110.902 -179.769 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 247' ' ' LEU . . . . . 0.77 HD12 ' HG3' ' A' ' 243' ' ' MET . 16.1 mt -78.38 -33.18 49.03 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.239 -0.437 . . . . 10.0 111.375 179.551 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -61.74 -49.49 76.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.984 0.421 . . . . 10.0 111.001 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 249' ' ' GLU . . . . . 0.546 ' O ' ' HB2' ' A' ' 253' ' ' LYS . 6.5 mt-10 -70.72 -27.84 64.28 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.227 -0.442 . . . . 10.0 112.116 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 250' ' ' VAL . . . . . 0.616 HG21 H252 ' A' ' 412' ' ' PCW . 0.9 OUTLIER -78.06 -18.46 13.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.202 0.525 . . . . 10.0 110.289 179.058 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 251' ' ' LYS . . . . . 0.417 ' O ' HG12 ' A' ' 254' ' ' VAL . 35.9 ttpt -97.0 -36.42 10.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.74 -0.664 . . . . 10.0 109.903 179.163 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -74.87 -41.19 60.27 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.317 -0.402 . . . . 10.0 110.647 179.557 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 253' ' ' LYS . . . . . 0.546 ' HB2' ' O ' ' A' ' 249' ' ' GLU . 45.3 mttt -82.69 -10.06 59.09 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.995 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 254' ' ' VAL . . . . . 0.559 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.4 OUTLIER -62.66 -29.67 47.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 C-N-CA 120.796 -0.362 . . . . 10.0 110.38 179.673 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -63.99 -63.97 3.33 Favored Pre-proline 0 N--CA 1.453 -0.309 0 CA-C-N 116.274 -0.421 . . . . 10.0 111.371 178.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_endo -62.1 -36.04 72.3 Favored 'Trans proline' 0 C--N 1.356 0.943 0 C-N-CA 121.874 1.716 . . . . 10.0 112.284 179.714 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 4.3 m-30 -64.61 -53.0 54.57 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.86 0.362 . . . . 10.0 110.495 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 258' ' ' LEU . . . . . 0.455 HD23 ' HA ' ' A' ' 258' ' ' LEU . 14.3 mt -69.28 -32.78 72.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.444 -0.343 . . . . 10.0 110.609 179.493 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 259' ' ' ASP . . . . . 0.485 ' O ' ' HB2' ' A' ' 263' ' ' LYS . 16.3 t70 -60.64 -45.82 92.63 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.319 -0.623 . . . . 10.0 109.319 178.703 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -63.69 -48.93 75.15 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.564 -0.744 . . . . 10.0 110.643 179.45 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -60.99 -50.31 73.89 Favored 'General case' 0 N--CA 1.457 -0.092 0 CA-C-N 115.933 -0.576 . . . . 10.0 111.285 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -64.52 -38.73 92.05 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 116.635 -0.257 . . . . 10.0 111.096 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 263' ' ' LYS . . . . . 0.485 ' HB2' ' O ' ' A' ' 259' ' ' ASP . 31.9 ttmt -58.64 -54.4 47.49 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.797 -0.446 . . . . 10.0 109.797 179.595 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 264' ' ' LYS . . . . . 0.541 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 73.7 mttt -64.1 -36.57 84.47 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.666 -0.697 . . . . 10.0 110.161 179.302 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -63.83 -38.77 92.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.326 -0.397 . . . . 10.0 110.299 178.675 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -61.79 -45.39 94.09 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.936 -0.764 . . . . 10.0 108.936 178.541 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -65.07 -43.85 90.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.162 -0.926 . . . . 10.0 109.507 178.514 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 268' ' ' GLU . . . . . 0.458 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 30.9 mt-10 -60.17 -44.7 94.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.708 -0.678 . . . . 10.0 111.078 179.533 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 70.8 mmm -65.52 -41.75 92.78 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.336 179.376 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -61.43 -48.36 81.55 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 116.008 -0.542 . . . . 10.0 109.594 178.4 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 85.4 mt -59.64 -41.49 90.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.848 -0.615 . . . . 10.0 110.063 179.095 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 272' ' ' TYR . . . . . 0.409 ' HD1' ' HA ' ' A' ' 272' ' ' TYR . 1.5 m-30 -60.93 -44.94 96.51 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.607 179.299 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 273' ' ' ARG . . . . . 0.509 ' HA ' HG12 ' A' ' 276' ' ' VAL . 78.1 mtt180 -68.57 -42.95 77.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.979 0.419 . . . . 10.0 111.001 179.297 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -65.48 -16.82 64.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.818 -0.628 . . . . 10.0 111.769 -179.559 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 275' ' ' LYS . . . . . 0.691 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 8.3 mptt -104.25 -48.05 3.96 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.576 -0.284 . . . . 10.0 110.809 179.115 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 276' ' ' VAL . . . . . 0.528 ' O ' ' HB2' ' A' ' 280' ' ' ARG . 2.5 p -53.38 -31.42 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 112.851 0.685 . . . . 10.0 112.851 -178.534 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -69.57 -63.34 2.01 Favored Pre-proline 0 CA--C 1.536 0.432 0 N-CA-C 112.151 0.426 . . . . 10.0 112.151 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_endo -60.21 -35.82 90.56 Favored 'Trans proline' 0 C--N 1.356 0.94 0 C-N-CA 121.476 1.45 . . . . 10.0 111.339 178.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 279' ' ' LEU . . . . . 0.691 ' HG ' ' O ' ' A' ' 275' ' ' LYS . 34.1 mt -67.0 -37.89 85.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.463 -0.335 . . . . 10.0 110.269 179.361 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 280' ' ' ARG . . . . . 0.528 ' HB2' ' O ' ' A' ' 276' ' ' VAL . 11.3 ttt180 -66.4 -34.37 77.81 Favored 'General case' 0 C--O 1.223 -0.31 0 N-CA-C 109.426 -0.583 . . . . 10.0 109.426 179.002 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -63.81 -43.18 97.03 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 109.167 -0.679 . . . . 10.0 109.167 178.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -65.09 -49.3 70.55 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.93 -0.577 . . . . 10.0 109.545 178.471 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 283' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 279' ' ' LEU . 85.3 mt -61.35 -33.3 73.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.597 -0.729 . . . . 10.0 111.018 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 284' ' ' GLN . . . . . 0.45 ' HB2' ' O ' ' A' ' 280' ' ' ARG . 15.2 tt0 -70.59 -45.21 65.78 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.408 -0.59 . . . . 10.0 109.408 178.635 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -62.74 -45.14 94.12 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.153 -0.684 . . . . 10.0 109.153 178.463 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -61.08 -45.49 96.48 Favored Glycine 0 N--CA 1.442 -0.927 0 N-CA-C 110.521 -1.032 . . . . 10.0 110.521 178.487 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -58.14 -44.8 88.04 Favored 'General case' 0 C--O 1.221 -0.429 0 N-CA-C 110.219 -0.289 . . . . 10.0 110.219 178.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 60.3 mtt180 -60.76 -49.6 76.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.853 0.358 . . . . 10.0 110.368 178.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -60.43 -41.53 94.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.898 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 69.6 mttt -71.41 -39.98 70.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.721 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 28.7 mt -64.11 -42.33 96.92 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.285 179.121 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -61.03 -40.41 93.49 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 109.79 -0.448 . . . . 10.0 109.79 178.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -62.04 -41.99 98.7 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.199 -0.667 . . . . 10.0 109.199 178.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 95.7 mt -67.37 -39.88 85.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.47 -0.786 . . . . 10.0 110.651 179.291 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -62.45 -40.38 96.43 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.142 0.496 . . . . 10.0 109.952 179.147 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -60.3 -28.51 68.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.676 -0.693 . . . . 10.0 110.386 179.335 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 297' ' ' LYS . . . . . 0.517 ' HB3' HD12 ' A' ' 301' ' ' LEU . 15.2 mmtp -104.88 13.98 30.27 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.182 -0.463 . . . . 10.0 111.161 -179.784 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 15.6 mt -110.97 -39.92 4.66 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-N 116.154 -0.476 . . . . 10.0 111.034 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 299' ' ' SER . . . . . 0.539 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 2.5 m -72.31 -68.11 0.45 Allowed Pre-proline 0 CA--C 1.544 0.725 0 N-CA-C 112.77 0.656 . . . . 10.0 112.77 -179.646 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 300' ' ' PRO . . . . . 0.539 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 28.4 Cg_endo -63.31 -48.24 6.45 Favored 'Trans proline' 0 C--N 1.354 0.827 0 C-N-CA 121.866 1.71 . . . . 10.0 112.135 -179.477 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 301' ' ' LEU . . . . . 0.517 HD12 ' HB3' ' A' ' 297' ' ' LYS . 31.4 mt -65.66 -32.6 74.26 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 116.193 -0.458 . . . . 10.0 110.753 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -67.58 -48.02 58.99 Favored Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 110.564 -1.014 . . . . 10.0 110.564 178.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -62.47 -38.41 89.71 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.322 -0.621 . . . . 10.0 109.322 178.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -65.74 -36.67 84.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.78 -0.645 . . . . 10.0 109.849 178.61 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 5.9 tpt -68.05 -40.32 82.85 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 116.018 -0.537 . . . . 10.0 109.794 179.508 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 306' ' ' ARG . . . . . 0.462 ' O ' ' HG3' ' A' ' 310' ' ' ARG . 81.0 mtt180 -70.6 -39.7 73.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.914 -0.585 . . . . 10.0 110.562 178.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 307' ' ' ASP . . . . . 0.492 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 37.9 t70 -64.36 -42.11 96.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.177 0.513 . . . . 10.0 109.805 178.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 308' ' ' ARG . . . . . 0.491 ' HA ' ' HD3' ' A' ' 308' ' ' ARG . 11.7 mmt180 -69.8 -29.14 66.37 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.968 -0.56 . . . . 10.0 109.551 178.116 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -67.21 -37.58 83.87 Favored 'General case' 0 CA--C 1.52 -0.204 0 N-CA-C 108.333 -0.988 . . . . 10.0 108.333 177.639 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 310' ' ' ARG . . . . . 0.492 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 80.2 mtt180 -59.88 -45.34 92.8 Favored 'General case' 0 C--O 1.22 -0.47 0 N-CA-C 108.707 -0.849 . . . . 10.0 108.707 177.857 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -66.37 -43.68 85.29 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.802 -0.635 . . . . 10.0 109.897 178.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 312' ' ' HIS . . . . . 0.485 ' HE1' ' HB2' ' D' ' 465' ' ' GLU . 2.0 m-70 -55.48 -50.88 68.72 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.137 179.127 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 85.5 t -72.99 -35.45 48.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.156 -0.929 . . . . 10.0 111.457 -179.507 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -62.06 -49.34 76.36 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 109.977 -0.379 . . . . 10.0 109.977 179.237 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -61.84 -33.66 74.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.912 -0.585 . . . . 10.0 109.432 179.088 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 9.5 mt -68.66 -45.12 72.6 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.615 -0.72 . . . . 10.0 109.357 178.235 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 14.4 mtm105 -61.44 -46.19 91.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.424 . . . . 10.0 110.941 179.558 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 5.3 m -63.39 -22.43 66.87 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.623 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 14.0 m80 -93.47 -41.08 9.99 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.861 0.362 . . . . 10.0 110.392 178.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 320' ' ' LEU . . . . . 0.495 ' HA ' ' HB2' ' A' ' 323' ' ' TYR . 61.5 mt -68.78 -28.27 66.63 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.101 -0.5 . . . . 10.0 112.234 -179.527 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 321' ' ' ALA . . . . . 0.404 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -57.24 -60.01 10.99 Favored Pre-proline 0 CA--C 1.539 0.535 0 N-CA-C 111.383 0.142 . . . . 10.0 111.383 179.47 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 322' ' ' PRO . . . . . 0.404 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 37.3 Cg_endo -68.3 -29.69 31.67 Favored 'Trans proline' 0 C--N 1.357 0.998 0 C-N-CA 121.6 1.533 . . . . 10.0 110.552 178.429 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 323' ' ' TYR . . . . . 0.495 ' HB2' ' HA ' ' A' ' 320' ' ' LEU . 6.3 m-30 -61.89 -51.48 68.02 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.592 179.002 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 324' ' ' SER . . . . . 0.427 ' O ' ' HG3' ' A' ' 328' ' ' ARG . 5.1 p -62.17 -34.45 76.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.729 0.3 . . . . 10.0 110.477 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 325' ' ' ASP . . . . . 0.408 ' O ' ' HG3' ' A' ' 329' ' ' GLN . 15.1 t70 -61.84 -49.94 74.25 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.829 -0.623 . . . . 10.0 109.412 178.41 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -65.11 -39.52 93.25 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 115.614 -0.721 . . . . 10.0 109.501 178.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 327' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 323' ' ' TYR . 75.6 mt -58.54 -37.91 76.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.454 179.124 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 328' ' ' ARG . . . . . 0.427 ' HG3' ' O ' ' A' ' 324' ' ' SER . 66.5 mtt85 -62.98 -42.31 99.8 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.531 -0.544 . . . . 10.0 109.531 178.376 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 329' ' ' GLN . . . . . 0.408 ' HG3' ' O ' ' A' ' 325' ' ' ASP . 44.1 mt-30 -68.25 -41.83 80.57 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.486 -0.561 . . . . 10.0 109.486 178.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 330' ' ' ARG . . . . . 0.524 ' O ' ' HG2' ' A' ' 334' ' ' ARG . 3.8 mtt-85 -61.33 -51.0 70.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.458 -0.792 . . . . 10.0 110.128 179.374 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 91.0 mt -58.2 -46.2 86.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.058 179.545 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -58.59 -48.5 80.74 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-N 115.956 -0.565 . . . . 10.0 109.817 178.671 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -59.53 -46.64 88.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.394 -0.366 . . . . 10.0 111.259 179.353 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 334' ' ' ARG . . . . . 0.524 ' HG2' ' O ' ' A' ' 330' ' ' ARG . 8.4 mmt180 -62.28 -47.07 85.95 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.272 -0.422 . . . . 10.0 109.934 179.791 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 77.3 mt -64.46 -44.57 90.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.901 -0.59 . . . . 10.0 111.985 -179.612 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -64.3 -39.97 94.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.915 0.388 . . . . 10.0 110.803 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -64.39 -44.42 91.36 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.157 -0.683 . . . . 10.0 109.157 178.614 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 68.1 mt -71.7 -15.88 62.22 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 115.826 -0.625 . . . . 10.0 111.045 179.121 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 71.2 tttt -74.85 -44.67 47.83 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.702 -0.851 . . . . 10.0 108.702 178.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -73.99 -48.11 32.56 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.956 -0.757 . . . . 10.0 108.956 178.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 341' ' ' ASN . . . . . 0.592 ' O ' ' HG3' ' A' ' 345' ' ' ARG . 8.6 t30 -60.88 -49.8 76.01 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.501 -0.772 . . . . 10.0 110.387 179.254 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -62.68 -35.76 92.34 Favored Glycine 0 N--CA 1.444 -0.781 0 CA-C-N 115.732 -0.667 . . . . 10.0 111.512 179.591 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -64.43 -43.71 96.33 Favored Glycine 0 N--CA 1.45 -0.37 0 N-CA-C 110.891 -0.883 . . . . 10.0 110.891 178.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -64.07 -41.86 97.19 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 109.508 -0.553 . . . . 10.0 109.508 178.518 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 345' ' ' ARG . . . . . 0.592 ' HG3' ' O ' ' A' ' 341' ' ' ASN . 32.3 mtm180 -63.09 -40.07 96.57 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 115.801 -0.636 . . . . 10.0 110.274 178.831 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 62.4 mt -66.59 -48.01 70.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.317 179.353 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.13 -38.87 80.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.044 0.45 . . . . 10.0 110.017 179.141 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 348' ' ' GLU . . . . . 0.597 ' HB3' ' HE2' ' A' ' 352' ' ' LYS . 6.5 mt-10 -70.63 -47.41 60.23 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.385 -0.825 . . . . 10.0 110.16 178.743 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -58.56 -36.92 74.68 Favored 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 116.229 -0.441 . . . . 10.0 111.553 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -62.3 -38.5 89.64 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.085 -0.709 . . . . 10.0 109.085 178.306 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -71.71 -41.5 68.49 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.049 -0.523 . . . . 10.0 109.658 178.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 352' ' ' LYS . . . . . 0.597 ' HE2' ' HB3' ' A' ' 348' ' ' GLU . 42.8 mttm -60.97 -44.43 97.34 Favored 'General case' 0 C--N 1.338 0.102 0 CA-C-N 116.198 -0.455 . . . . 10.0 110.158 178.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -63.42 -41.52 98.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.628 -0.714 . . . . 10.0 110.293 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 27.6 m -64.82 -47.03 79.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.39 -0.368 . . . . 10.0 110.247 179.288 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -60.9 -41.64 96.46 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 109.318 -0.623 . . . . 10.0 109.318 178.527 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -63.25 -35.73 81.33 Favored 'General case' 0 C--O 1.226 -0.173 0 CA-C-N 115.788 -0.642 . . . . 10.0 109.855 178.651 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 46.2 mt -66.24 -38.79 88.73 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.402 -0.363 . . . . 10.0 110.593 179.212 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 3.9 m -61.26 -42.66 99.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.09 0.472 . . . . 10.0 110.282 179.111 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.9 -32.24 57.28 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.33 179.245 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 25.9 tp -66.81 -32.66 74.08 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.374 -0.602 . . . . 10.0 109.374 178.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 51.3 m -64.71 -26.13 68.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.727 -0.67 . . . . 10.0 110.161 178.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -71.54 -17.43 62.32 Favored 'General case' 0 C--O 1.231 0.118 0 N-CA-C 109.192 -0.67 . . . . 10.0 109.192 178.571 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 363' ' ' LYS . . . . . 0.895 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 88.2 mttt -98.34 -26.1 14.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.588 -0.733 . . . . 10.0 109.399 178.175 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -78.58 -33.59 47.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.542 -0.754 . . . . 10.0 111.785 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 365' ' ' LYS . . . . . 0.944 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 80.9 mttt -107.69 -72.0 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.449 0 N-CA-C 112.481 0.549 . . . . 10.0 112.481 179.321 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 366' ' ' PRO . . . . . 0.944 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 50.8 Cg_exo -55.9 -60.92 0.41 Allowed 'Trans proline' 0 C--N 1.357 0.985 0 C-N-CA 122.457 2.104 . . . . 10.0 112.899 -179.685 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 367' ' ' ALA . . . . . 0.895 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -59.46 -42.79 92.82 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.446 0.536 . . . . 10.0 112.446 -179.217 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 368' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 368' ' ' LEU . 5.2 mt -66.11 -42.47 89.19 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 120.809 -0.357 . . . . 10.0 111.108 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -63.68 -44.91 92.33 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.848 -0.797 . . . . 10.0 108.848 178.671 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -59.74 -40.96 89.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.374 -0.83 . . . . 10.0 109.838 179.034 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 12.4 mt -63.75 -45.81 88.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.656 -0.702 . . . . 10.0 109.922 178.655 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 84.8 mtt180 -63.21 -42.32 99.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.945 179.601 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -62.16 -31.21 71.68 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.486 -0.325 . . . . 10.0 110.916 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -86.02 -38.92 8.26 Favored Glycine 0 N--CA 1.442 -0.909 0 C-N-CA 120.465 -0.874 . . . . 10.0 111.367 179.015 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 375' ' ' LEU . . . . . 0.478 ' O ' ' HG ' ' A' ' 379' ' ' LEU . 39.1 mt -66.45 -36.34 82.54 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 111.957 0.355 . . . . 10.0 111.957 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 376' ' ' LEU . . . . . 0.612 ' O ' ' HG3' ' A' ' 380' ' ' GLU . 37.9 mt -50.1 -65.54 0.84 Allowed Pre-proline 0 CA--C 1.538 0.511 0 N-CA-C 112.607 0.595 . . . . 10.0 112.607 -179.588 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -64.98 -26.94 58.29 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 121.698 1.599 . . . . 10.0 111.448 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 2.9 t -65.94 -43.3 92.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 121.039 0.447 . . . . 10.0 109.892 179.112 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 379' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 375' ' ' LEU . 97.2 mt -67.68 -35.55 79.05 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.377 -0.601 . . . . 10.0 109.377 178.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 380' ' ' GLU . . . . . 0.612 ' HG3' ' O ' ' A' ' 376' ' ' LEU . 35.4 mt-10 -66.76 -45.73 77.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.897 -0.592 . . . . 10.0 110.643 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 1.5 p -65.9 -32.19 73.56 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 109.228 -0.656 . . . . 10.0 109.228 178.302 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 1.4 m-30 -65.52 -43.45 90.01 Favored 'General case' 0 CA--C 1.517 -0.318 0 N-CA-C 108.952 -0.758 . . . . 10.0 108.952 177.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 383' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' A' ' 379' ' ' LEU . 96.5 mttt -55.19 -47.75 74.8 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.247 178.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 384' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 380' ' ' GLU . 48.9 t -59.05 -40.58 81.09 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-N 115.888 -0.597 . . . . 10.0 110.138 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 11.5 m -69.13 -42.25 76.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.555 -0.748 . . . . 10.0 110.436 179.272 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -66.78 -43.36 84.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.521 -0.308 . . . . 10.0 111.117 179.586 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 387' ' ' LEU . . . . . 0.512 ' O ' ' HG3' ' A' ' 391' ' ' GLU . 61.8 mt -57.28 -53.65 55.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.436 . . . . 10.0 111.281 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 388' ' ' SER . . . . . 0.457 ' HB2' ' HE2' ' D' ' 594' ' ' LYS . 3.8 p -63.03 -38.88 92.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.11 -0.495 . . . . 10.0 111.156 -179.74 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -62.42 -41.15 98.49 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.736 0.303 . . . . 10.0 110.98 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 77.1 mt -65.15 -39.84 93.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 10.0 109.871 179.11 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 391' ' ' GLU . . . . . 0.512 ' HG3' ' O ' ' A' ' 387' ' ' LEU . 71.8 mt-10 -66.08 -36.85 84.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.036 179.188 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 392' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' A' ' 388' ' ' SER . 38.8 mm-40 -59.76 -42.0 92.29 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.42 179.064 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -62.2 -47.66 83.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.838 -0.619 . . . . 10.0 110.675 179.617 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 3.5 m -62.36 -39.64 93.8 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.253 -0.43 . . . . 10.0 111.747 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -72.03 -26.98 62.42 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 113.525 0.935 . . . . 10.0 113.525 -178.477 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 396' ' ' LYS . . . . . 0.592 ' HG2' ' HB2' ' D' ' 587' ' ' ALA . 13.7 mptt -102.61 -41.9 6.1 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 113.763 1.023 . . . . 10.0 113.763 -178.506 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 87.0 mt -77.52 -36.85 52.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.816 0.341 . . . . 10.0 110.901 -179.333 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 47.8 t30 . . . . . 0 C--N 1.323 -0.557 0 CA-C-N 116.176 -0.466 . . . . 10.0 110.93 -179.833 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 2.9 mm? . . . . . 0 N--CA 1.463 0.184 0 CA-C-O 121.156 0.503 . . . . 10.0 110.733 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -92.85 17.72 10.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.095 -0.502 . . . . 10.0 111.354 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 77.0 mt -69.97 -35.51 74.51 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.036 0.446 . . . . 10.0 110.032 179.611 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 67.2 mt -67.36 -35.75 79.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.724 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.57 -45.51 86.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.878 -0.601 . . . . 10.0 109.973 179.555 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 404' ' ' ASN . . . . . 0.421 ' O ' HG23 ' D' ' 408' ' ' VAL . 27.1 t-20 -68.87 -40.91 79.02 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.958 -0.565 . . . . 10.0 110.087 178.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 6.7 m95 -58.86 -36.5 74.7 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.857 -0.61 . . . . 10.0 110.57 179.496 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -58.76 -52.23 66.61 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.436 -0.579 . . . . 10.0 109.436 178.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.85 -36.5 76.99 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.542 -0.754 . . . . 10.0 110.62 178.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 408' ' ' VAL . . . . . 0.421 HG23 ' O ' ' D' ' 404' ' ' ASN . 79.6 t -67.55 -37.16 78.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.222 0.535 . . . . 10.0 109.846 178.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 15.8 m -67.8 -41.31 83.34 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.178 -0.675 . . . . 10.0 109.178 178.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 10.5 m -63.9 -44.78 91.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.596 179.049 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 411' ' ' THR . . . . . 0.434 ' O ' ' HG ' ' D' ' 415' ' ' LEU . 1.1 p -64.02 -32.77 74.44 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.214 0.53 . . . . 10.0 110.344 179.188 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 412' ' ' PHE . . . . . 0.439 ' HD1' HD12 ' D' ' 415' ' ' LEU . 2.1 m-85 -69.61 -39.34 77.29 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.312 -0.625 . . . . 10.0 109.312 177.753 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 27.3 m -68.29 -30.93 70.05 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.621 -0.718 . . . . 10.0 109.324 178.514 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 43.0 mmtt -67.09 -34.91 78.66 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.319 -0.623 . . . . 10.0 109.319 178.229 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 415' ' ' LEU . . . . . 0.439 HD12 ' HD1' ' D' ' 412' ' ' PHE . 87.5 mt -64.21 -39.4 93.9 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.032 -0.729 . . . . 10.0 109.032 178.572 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 416' ' ' ARG . . . . . 0.433 ' HA ' HD12 ' D' ' 419' ' ' LEU . 78.1 mtt180 -67.0 -35.34 79.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.632 -0.713 . . . . 10.0 110.665 179.39 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -64.39 -29.54 70.6 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-O 121.303 0.573 . . . . 10.0 109.584 178.398 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -84.16 -46.48 11.86 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.532 -0.758 . . . . 10.0 109.608 179.086 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 419' ' ' LEU . . . . . 0.433 HD12 ' HA ' ' D' ' 416' ' ' ARG . 59.3 mt -47.8 -42.34 25.73 Favored 'General case' 0 C--O 1.226 -0.16 0 CA-C-N 115.395 -0.821 . . . . 10.0 112.374 -179.35 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -53.4 -76.0 0.2 Allowed Glycine 0 CA--C 1.523 0.548 0 C-N-CA 120.903 -0.665 . . . . 10.0 112.629 179.646 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 421' ' ' PRO . . . . . 0.492 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 52.6 Cg_exo -57.63 -39.37 88.62 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 122.575 2.183 . . . . 10.0 112.152 179.645 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 19.5 t -58.54 -48.02 86.71 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.114 0 N-CA-C 112.307 0.484 . . . . 10.0 112.307 -179.165 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 34.2 p -68.61 -37.39 79.74 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.952 -0.299 . . . . 10.0 110.493 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -57.91 -53.3 59.76 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.07 179.334 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 425' ' ' GLU . . . . . 0.492 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 11.1 pt-20 -71.3 -27.27 63.29 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.165 -0.471 . . . . 10.0 110.777 179.27 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 426' ' ' PHE . . . . . 0.507 ' O ' ' HG ' ' D' ' 430' ' ' LEU . 42.0 t80 -65.17 -46.53 80.47 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.025 -0.732 . . . . 10.0 109.025 178.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 12.2 m95 -65.33 -36.97 85.64 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.987 -0.551 . . . . 10.0 109.866 178.656 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -66.79 -37.63 84.93 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.123 -0.695 . . . . 10.0 109.123 178.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 429' ' ' ASN . . . . . 0.436 ' OD1' ' HG2' ' A' ' 345' ' ' ARG . 4.4 t30 -67.98 -44.04 77.58 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.357 -0.838 . . . . 10.0 108.765 177.798 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 430' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' D' ' 426' ' ' PHE . 68.4 mt -57.81 -36.53 72.34 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 115.583 -0.735 . . . . 10.0 109.843 178.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -65.02 -44.81 87.94 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.041 178.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 39.7 mttp -62.83 -44.0 97.31 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.125 -0.694 . . . . 10.0 109.125 178.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 433' ' ' GLU . . . . . 0.451 ' O ' ' HG ' ' D' ' 437' ' ' LEU . 29.7 mt-10 -63.02 -55.24 27.34 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.329 -0.85 . . . . 10.0 111.016 179.31 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 434' ' ' THR . . . . . 0.461 ' HB ' ' CZ ' ' D' ' 438' ' ' ARG . 13.6 p -56.8 -51.74 67.79 Favored 'General case' 0 C--O 1.224 -0.28 0 N-CA-C 111.384 0.142 . . . . 10.0 111.384 -179.268 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 435' ' ' GLU . . . . . 0.519 ' O ' ' HG3' ' D' ' 439' ' ' GLN . 53.4 mm-40 -59.2 -45.69 90.41 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 121.08 -0.248 . . . . 10.0 111.333 179.74 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -63.51 -46.23 92.92 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.873 -0.68 . . . . 10.0 111.633 179.329 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 437' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' D' ' 433' ' ' GLU . 96.6 mt -65.55 -33.55 76.18 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.738 0.304 . . . . 10.0 110.261 179.195 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 438' ' ' ARG . . . . . 0.461 ' CZ ' ' HB ' ' D' ' 434' ' ' THR . 56.1 mtt180 -65.94 -34.04 77.21 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.272 -0.422 . . . . 10.0 110.135 179.201 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 439' ' ' GLN . . . . . 0.519 ' HG3' ' O ' ' D' ' 435' ' ' GLU . 97.3 mt-30 -65.65 -40.95 93.01 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 108.46 -0.941 . . . . 10.0 108.46 178.353 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -69.12 -43.97 73.36 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.17 -0.923 . . . . 10.0 108.865 178.161 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 441' ' ' MET . . . . . 0.409 ' HB2' ' HA ' ' D' ' 438' ' ' ARG . 67.0 mmm -57.4 -48.49 78.94 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.192 -0.913 . . . . 10.0 111.954 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 442' ' ' SER . . . . . 0.429 ' O ' ' HG2' ' D' ' 446' ' ' GLU . 3.3 p -62.44 -49.42 75.52 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.629 0.252 . . . . 10.0 110.844 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -61.38 -36.39 80.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.008 -0.542 . . . . 10.0 111.013 179.415 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 444' ' ' ASP . . . . . 0.443 ' O ' HG23 ' D' ' 448' ' ' VAL . 4.9 t0 -73.34 -54.23 8.86 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.088 -0.506 . . . . 10.0 110.236 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 79.5 mt -56.07 -46.8 78.86 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.163 0.431 . . . . 10.0 112.163 -179.27 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 446' ' ' GLU . . . . . 0.429 ' HG2' ' O ' ' D' ' 442' ' ' SER . 6.6 mm-40 -61.76 -35.95 79.61 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.859 0.362 . . . . 10.0 110.647 -179.677 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 447' ' ' GLU . . . . . 0.567 ' O ' ' HB2' ' D' ' 451' ' ' LYS . 9.8 mt-10 -74.88 -35.02 62.29 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.0 -0.546 . . . . 10.0 109.781 178.651 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 448' ' ' VAL . . . . . 0.443 HG23 ' O ' ' D' ' 444' ' ' ASP . 26.6 t -61.31 -42.28 92.97 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.299 0 CA-C-N 116.145 -0.479 . . . . 10.0 110.026 179.11 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -59.51 -43.94 93.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.137 0.494 . . . . 10.0 110.694 179.397 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -84.26 -1.88 56.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.965 -0.561 . . . . 10.0 111.851 -179.306 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 451' ' ' LYS . . . . . 0.567 ' HB2' ' O ' ' D' ' 447' ' ' GLU . 2.2 ttmm -104.7 -43.07 5.22 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.451 -0.341 . . . . 10.0 110.757 179.596 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 42.1 t -60.31 -39.18 80.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.21 -0.45 . . . . 10.0 111.27 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 453' ' ' GLN . . . . . 0.424 ' HB2' ' HD3' ' D' ' 454' ' ' PRO . 78.0 mt-30 -57.14 -61.4 7.17 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-O 119.347 -0.358 . . . . 10.0 111.783 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 454' ' ' PRO . . . . . 0.424 ' HD3' ' HB2' ' D' ' 453' ' ' GLN . 37.6 Cg_endo -67.77 -29.69 35.16 Favored 'Trans proline' 0 C--N 1.355 0.908 0 C-N-CA 121.881 1.72 . . . . 10.0 112.011 179.092 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 455' ' ' TYR . . . . . 0.446 ' HB2' ' O ' ' D' ' 451' ' ' LYS . 5.7 t80 -66.51 -47.6 72.46 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.767 -0.457 . . . . 10.0 109.767 179.365 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 19.8 mt -68.65 -32.82 72.95 Favored 'General case' 0 CA--C 1.517 -0.301 0 N-CA-C 109.299 -0.63 . . . . 10.0 109.299 178.292 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -63.99 -52.66 58.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.818 -0.628 . . . . 10.0 109.963 178.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -62.33 -41.43 98.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.631 -0.713 . . . . 10.0 110.739 179.38 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -67.54 -44.93 77.14 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.099 -0.5 . . . . 10.0 111.061 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -64.5 -35.76 82.01 Favored 'General case' 0 C--O 1.222 -0.351 0 C-N-CA 120.993 -0.283 . . . . 10.0 110.239 179.446 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 62.5 mttt -65.51 -39.86 92.33 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 109.11 -0.7 . . . . 10.0 109.11 178.125 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 462' ' ' LYS . . . . . 0.454 ' HD2' H283 ' D' ' 602' ' ' PCW . 1.9 ttmm -66.5 -40.99 89.54 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.203 -0.908 . . . . 10.0 109.44 178.241 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 463' ' ' TRP . . . . . 0.598 ' NE1' ' H77' ' D' ' 629' ' ' 17F . 50.3 m0 -65.77 -39.84 91.41 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.187 -0.672 . . . . 10.0 109.187 178.569 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -61.56 -43.55 98.65 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.085 178.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 465' ' ' GLU . . . . . 0.508 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 45.8 mt-10 -61.44 -46.54 89.67 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.317 -0.623 . . . . 10.0 109.317 178.773 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.83 -44.71 92.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.912 -0.586 . . . . 10.0 110.294 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 61.2 mtm -63.53 -37.51 87.58 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.83 0.348 . . . . 10.0 110.09 178.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -63.67 -46.83 83.82 Favored 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 108.755 -0.831 . . . . 10.0 108.755 178.25 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 469' ' ' LEU . . . . . 0.515 HD22 ' HE3' ' D' ' 473' ' ' LYS . 95.6 mt -60.37 -35.01 74.69 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.62 -0.718 . . . . 10.0 110.296 179.372 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 12.9 m-30 -63.73 -35.51 80.82 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.712 -0.477 . . . . 10.0 109.712 178.561 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 471' ' ' ARG . . . . . 0.517 ' HA ' ' HG3' ' D' ' 475' ' ' GLU . 62.2 mtt180 -74.89 -21.22 59.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.916 -0.584 . . . . 10.0 111.346 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -109.43 3.76 21.74 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.156 0.428 . . . . 10.0 112.156 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 473' ' ' LYS . . . . . 0.515 ' HE3' HD22 ' D' ' 469' ' ' LEU . 88.9 mttt -134.35 -61.41 0.78 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.545 0.202 . . . . 10.0 111.545 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 85.5 t -63.45 -38.0 81.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.703 0.287 . . . . 10.0 110.676 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 475' ' ' GLU . . . . . 0.517 ' HG3' ' HA ' ' D' ' 471' ' ' ARG . 24.2 mm-40 -59.06 -60.88 9.09 Favored Pre-proline 0 CA--C 1.537 0.457 0 CA-C-N 116.019 -0.537 . . . . 10.0 111.683 178.707 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -60.74 -37.55 77.83 Favored 'Trans proline' 0 C--N 1.354 0.851 0 C-N-CA 122.0 1.8 . . . . 10.0 110.956 178.609 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 17.0 mt -62.57 -36.8 83.82 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.35 -0.386 . . . . 10.0 110.071 179.172 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 19.4 mtt180 -59.96 -33.51 72.03 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.937 -0.394 . . . . 10.0 109.937 178.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -80.6 -46.56 15.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.716 -0.675 . . . . 10.0 110.569 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -63.07 -42.12 99.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.023 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 56.5 mt -73.47 -23.49 60.08 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 110.006 -0.368 . . . . 10.0 110.006 178.711 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -69.67 -49.56 52.41 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 108.245 -1.02 . . . . 10.0 108.245 178.259 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.13 -38.79 92.34 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.515 -0.766 . . . . 10.0 109.099 178.604 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -64.44 -42.41 97.61 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 110.95 -0.86 . . . . 10.0 110.95 178.503 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -67.3 -36.22 81.06 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 109.419 -0.586 . . . . 10.0 109.419 178.446 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 89.7 mtt180 -63.96 -41.12 97.66 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 109.219 -0.66 . . . . 10.0 109.219 178.087 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -64.71 -43.37 93.68 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 108.822 -0.807 . . . . 10.0 108.822 178.26 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -62.11 -44.8 95.85 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.986 -0.552 . . . . 10.0 109.927 179.052 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 47.6 mt -63.06 -38.36 90.88 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.556 -0.535 . . . . 10.0 109.556 178.554 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -62.41 -46.56 88.04 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.71 -0.848 . . . . 10.0 108.71 178.612 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 491' ' ' GLU . . . . . 0.411 ' O ' ' HD2' ' D' ' 495' ' ' LYS . 41.3 mt-10 -59.25 -48.18 82.58 Favored 'General case' 0 C--O 1.232 0.146 0 N-CA-C 108.669 -0.863 . . . . 10.0 108.669 178.38 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 94.3 mt -59.2 -54.59 45.2 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 115.271 -0.877 . . . . 10.0 111.625 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -59.33 -38.58 80.68 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.086 0.402 . . . . 10.0 112.086 -179.36 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -70.14 -4.83 23.24 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 121.193 0.52 . . . . 10.0 111.375 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 495' ' ' LYS . . . . . 0.478 ' HE3' HD22 ' A' ' 279' ' ' LEU . 15.5 mttp -114.26 -34.92 5.16 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.829 -0.623 . . . . 10.0 109.713 178.07 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 76.3 mt -62.18 -28.57 69.76 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 115.839 -0.619 . . . . 10.0 110.979 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 497' ' ' SER . . . . . 0.453 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 1.6 m -75.92 -63.1 0.66 Allowed Pre-proline 0 C--N 1.321 -0.64 0 C-N-CA 120.929 -0.308 . . . . 10.0 111.447 179.154 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 498' ' ' PRO . . . . . 0.453 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 27.5 Cg_endo -62.26 -49.13 6.62 Favored 'Trans proline' 0 C--N 1.356 0.971 0 C-N-CA 121.756 1.637 . . . . 10.0 112.288 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 499' ' ' LEU . . . . . 0.632 HD21 ' HG2' ' A' ' 275' ' ' LYS . 90.8 mt -69.31 -32.06 70.95 Favored 'General case' 0 CA--C 1.519 -0.217 0 N-CA-C 110.407 -0.22 . . . . 10.0 110.407 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -66.62 -50.28 49.9 Favored Glycine 0 N--CA 1.449 -0.495 0 N-CA-C 110.823 -0.911 . . . . 10.0 110.823 179.092 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 501' ' ' GLU . . . . . 0.454 ' OE2' ' HD2' ' D' ' 504' ' ' ARG . 5.5 mm-40 -63.6 -34.92 78.89 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 109.555 -0.535 . . . . 10.0 109.555 178.689 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 502' ' ' GLU . . . . . 0.551 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 32.0 tt0 -67.17 -41.8 85.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.792 -0.64 . . . . 10.0 109.553 178.576 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 503' ' ' MET . . . . . 0.532 ' HA ' ' HD2' ' D' ' 506' ' ' ARG . 64.9 mmm -64.34 -37.93 89.25 Favored 'General case' 0 CA--C 1.521 -0.151 0 N-CA-C 109.577 -0.527 . . . . 10.0 109.577 178.709 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 504' ' ' ARG . . . . . 0.454 ' HD2' ' OE2' ' D' ' 501' ' ' GLU . 75.0 mtt180 -68.08 -34.39 76.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.729 -0.669 . . . . 10.0 109.374 178.519 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -70.41 -40.21 73.99 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 109.316 -0.624 . . . . 10.0 109.316 178.363 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 506' ' ' ARG . . . . . 0.551 ' HG3' ' O ' ' D' ' 502' ' ' GLU . 46.9 mtt180 -60.7 -44.13 96.93 Favored 'General case' 0 CA--C 1.518 -0.26 0 N-CA-C 107.943 -1.132 . . . . 10.0 107.943 177.592 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -58.79 -40.64 84.61 Favored 'General case' 0 C--O 1.225 -0.23 0 CA-C-N 115.249 -0.887 . . . . 10.0 109.958 178.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 508' ' ' ARG . . . . . 0.436 HH11 ' HD2' ' D' ' 508' ' ' ARG . 57.7 mtt85 -62.73 -48.07 80.82 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.433 -0.58 . . . . 10.0 109.433 178.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 509' ' ' ALA . . . . . 0.541 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -59.68 -41.12 89.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.853 -0.612 . . . . 10.0 111.132 179.733 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 510' ' ' HIS . . . . . 0.578 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 21.9 m-70 -71.89 -47.53 52.08 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.875 179.51 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 31.2 t -63.58 -43.25 98.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.714 0.292 . . . . 10.0 111.022 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -65.64 -31.09 71.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.129 0.49 . . . . 10.0 110.062 179.146 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 513' ' ' ALA . . . . . 0.421 ' HB2' ' NZ ' ' A' ' 264' ' ' LYS . . . -69.09 -44.7 71.97 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 108.122 -1.066 . . . . 10.0 108.122 177.834 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 514' ' ' LEU . . . . . 0.673 ' HA ' ' HB2' ' D' ' 517' ' ' HIS . 90.6 mt -59.8 -26.61 65.89 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.469 -0.787 . . . . 10.0 110.657 179.031 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 515' ' ' ARG . . . . . 0.503 ' O ' ' HD3' ' D' ' 520' ' ' PRO . 76.3 mtt180 -63.91 -31.9 73.25 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.764 -0.458 . . . . 10.0 109.764 178.705 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.47 10.18 23.24 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.439 0.638 . . . . 10.0 110.215 179.507 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 517' ' ' HIS . . . . . 0.673 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 26.1 m170 -115.61 -59.98 1.93 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.89 -0.595 . . . . 10.0 110.556 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 69.6 mt -80.58 -55.42 4.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.973 -0.558 . . . . 10.0 111.622 -179.119 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 519' ' ' ALA . . . . . 0.59 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -47.93 -56.17 14.7 Favored Pre-proline 0 N--CA 1.467 0.418 0 N-CA-C 113.585 0.957 . . . . 10.0 113.585 -178.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 520' ' ' PRO . . . . . 0.59 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 31.9 Cg_exo -63.02 -35.6 64.62 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 121.832 1.688 . . . . 10.0 110.914 179.045 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 521' ' ' TYR . . . . . 0.502 ' HB2' ' O ' ' D' ' 517' ' ' HIS . 10.5 t80 -67.03 -36.29 81.77 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.078 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 522' ' ' SER . . . . . 0.505 ' O ' ' HG3' ' D' ' 526' ' ' ARG . 5.2 m -60.26 -39.93 88.54 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 108.437 -0.949 . . . . 10.0 108.437 178.348 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 523' ' ' ASP . . . . . 0.489 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 35.2 t70 -69.79 -42.85 73.21 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.206 -0.906 . . . . 10.0 110.243 179.45 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -64.82 -33.76 76.75 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.231 0.539 . . . . 10.0 109.704 178.543 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 525' ' ' LEU . . . . . 0.406 HD23 ' HD2' ' D' ' 528' ' ' ARG . 15.0 mt -68.58 -33.24 73.73 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-N 115.5 -0.773 . . . . 10.0 109.946 178.015 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 526' ' ' ARG . . . . . 0.505 ' HG3' ' O ' ' D' ' 522' ' ' SER . 69.7 mtt180 -58.82 -39.41 81.11 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.379 179.461 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -63.53 -43.34 97.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.841 -0.618 . . . . 10.0 109.889 179.249 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 528' ' ' ARG . . . . . 0.557 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 77.4 mtt180 -69.59 -49.15 56.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.421 -0.809 . . . . 10.0 110.433 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 92.6 mt -59.51 -35.72 74.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.931 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -66.26 -36.21 82.41 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.902 -0.407 . . . . 10.0 109.902 179.069 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -73.57 -42.68 61.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.696 -0.684 . . . . 10.0 109.178 179.306 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 532' ' ' ARG . . . . . 0.41 ' O ' ' HG ' ' D' ' 536' ' ' LEU . 18.7 ttm180 -61.73 -45.98 91.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.585 -0.734 . . . . 10.0 109.357 178.734 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 48.8 mt -66.59 -32.32 73.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.773 -0.649 . . . . 10.0 110.004 178.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 534' ' ' GLU . . . . . 0.47 ' HA ' ' HE3' ' D' ' 537' ' ' LYS . 37.4 tt0 -66.63 -44.98 80.57 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 108.993 -0.743 . . . . 10.0 108.993 178.518 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -62.57 -41.72 99.1 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 108.871 -0.789 . . . . 10.0 108.871 177.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 536' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' D' ' 532' ' ' ARG . 94.5 mt -66.39 -28.43 68.63 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.581 -0.736 . . . . 10.0 110.472 178.725 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 537' ' ' LYS . . . . . 0.47 ' HE3' ' HA ' ' D' ' 534' ' ' GLU . 41.8 mtmt -77.5 -43.5 31.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.356 -0.384 . . . . 10.0 110.121 178.613 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -65.79 -48.53 71.48 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 109.761 -0.459 . . . . 10.0 109.761 179.111 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -66.75 -36.31 82.15 Favored 'General case' 0 CA--C 1.512 -0.483 0 N-CA-C 108.629 -0.878 . . . . 10.0 108.629 178.18 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -62.05 -46.45 94.0 Favored Glycine 0 N--CA 1.443 -0.836 0 N-CA-C 111.292 -0.723 . . . . 10.0 111.292 179.172 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -60.21 -43.85 98.03 Favored Glycine 0 N--CA 1.449 -0.438 0 N-CA-C 111.057 -0.817 . . . . 10.0 111.057 178.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -64.76 -49.3 71.32 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.942 -0.392 . . . . 10.0 109.942 178.634 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 543' ' ' ARG . . . . . 0.457 HH11 ' HD2' ' D' ' 543' ' ' ARG . 59.2 mtt85 -61.27 -34.51 75.3 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.997 179.714 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 42.0 mt -64.92 -41.68 95.34 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.282 -0.636 . . . . 10.0 109.282 178.309 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -65.69 -43.87 87.92 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.116 -0.698 . . . . 10.0 109.116 178.337 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -62.93 -43.04 99.88 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 115.892 -0.594 . . . . 10.0 110.009 178.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -60.52 -47.92 84.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.684 -0.689 . . . . 10.0 110.261 179.433 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 31.5 m80 -65.35 -39.95 93.01 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.482 -0.326 . . . . 10.0 110.885 179.626 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -65.46 -47.94 74.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.4 179.381 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 550' ' ' LYS . . . . . 0.437 ' O ' ' HB2' ' D' ' 554' ' ' HIS . 10.9 mptt -66.94 -29.68 69.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.498 . . . . 10.0 110.295 179.221 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -64.62 -42.75 95.29 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.566 -0.531 . . . . 10.0 109.566 178.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -69.2 -42.75 75.36 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.393 -0.367 . . . . 10.0 110.172 178.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -60.93 -45.24 95.47 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.417 -0.586 . . . . 10.0 109.417 178.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 554' ' ' HIS . . . . . 0.437 ' HB2' ' O ' ' D' ' 550' ' ' LYS . 0.7 OUTLIER -64.94 -38.47 91.06 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.475 -0.784 . . . . 10.0 109.547 179.029 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 29.2 tp -62.09 -44.89 95.68 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.067 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 24.2 m -63.53 -42.84 98.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.044 -0.526 . . . . 10.0 109.761 178.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 9.8 m -66.83 -37.27 84.17 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.89 -0.595 . . . . 10.0 110.117 179.386 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 27.3 mt -62.17 -51.37 68.11 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.545 178.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 2.2 p -65.9 -36.72 84.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.604 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -61.23 -31.12 70.9 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 115.878 -0.601 . . . . 10.0 111.03 179.467 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 561' ' ' LYS . . . . . 0.409 ' O ' ' HD2' ' D' ' 564' ' ' PRO . 0.0 OUTLIER -96.47 -40.68 8.96 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 121.101 -0.24 . . . . 10.0 111.395 -179.764 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -57.64 -43.86 85.2 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.491 0.552 . . . . 10.0 112.491 -179.003 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 563' ' ' LYS . . . . . 0.736 ' HB2' ' HD3' ' D' ' 564' ' ' PRO . 94.6 mttt -56.42 -60.59 8.68 Favored Pre-proline 0 CA--C 1.536 0.408 0 N-CA-C 112.553 0.575 . . . . 10.0 112.553 -179.742 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 564' ' ' PRO . . . . . 0.736 ' HD3' ' HB2' ' D' ' 563' ' ' LYS . 31.7 Cg_exo -63.49 -41.37 26.2 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 122.155 1.903 . . . . 10.0 111.734 179.372 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -60.35 -53.57 56.0 Favored 'General case' 0 C--N 1.331 -0.201 0 O-C-N 123.284 0.365 . . . . 10.0 110.919 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 45.4 mt -60.73 -40.47 92.5 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.625 -0.262 . . . . 10.0 110.913 179.496 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -62.84 -47.28 84.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.878 0.37 . . . . 10.0 110.49 179.466 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -64.21 -38.85 92.51 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.118 179.543 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 569' ' ' LEU . . . . . 0.469 HD21 HD21 ' A' ' 206' ' ' ASN . 69.6 mt -65.92 -42.03 90.62 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.241 178.807 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 83.7 mtt180 -66.13 -46.1 78.7 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.216 0.531 . . . . 10.0 110.404 179.257 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -74.87 -6.8 51.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.676 -0.693 . . . . 10.0 110.815 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -104.39 -35.41 3.35 Favored Glycine 0 N--CA 1.451 -0.364 0 N-CA-C 111.179 -0.769 . . . . 10.0 111.179 179.297 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 573' ' ' LEU . . . . . 0.585 ' HA ' HG12 ' D' ' 576' ' ' VAL . 30.0 mt -70.39 -41.33 73.19 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.728 -0.236 . . . . 10.0 110.525 179.056 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 574' ' ' LEU . . . . . 0.42 ' O ' ' HG2' ' D' ' 578' ' ' GLU . 92.4 mt -50.44 -59.29 7.51 Favored Pre-proline 0 CA--C 1.534 0.364 0 N-CA-C 112.295 0.479 . . . . 10.0 112.295 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -68.14 -38.01 13.32 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 122.01 1.806 . . . . 10.0 112.522 179.115 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 576' ' ' VAL . . . . . 0.585 HG12 ' HA ' ' D' ' 573' ' ' LEU . 0.4 OUTLIER -64.1 -37.4 79.75 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.157 0 C-N-CA 120.905 -0.318 . . . . 10.0 110.735 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D ' 577' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' D' ' 573' ' ' LEU . 67.1 mt -66.99 -37.34 84.05 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 109.103 -0.703 . . . . 10.0 109.103 178.177 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 578' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' D' ' 574' ' ' LEU . 75.6 mm-40 -61.57 -43.59 98.58 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 109.36 -0.607 . . . . 10.0 109.36 178.433 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 8.9 m -63.68 -45.33 90.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.647 -0.706 . . . . 10.0 109.531 178.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -60.73 -42.31 97.07 Favored 'General case' 0 C--N 1.335 -0.056 0 CA-C-N 115.899 -0.592 . . . . 10.0 110.966 179.382 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -53.88 -45.89 71.19 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 109.989 -0.375 . . . . 10.0 109.989 179.051 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 65.6 t -61.8 -49.67 83.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.932 -0.576 . . . . 10.0 111.257 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.24 -27.53 67.3 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 112.402 0.519 . . . . 10.0 112.402 -179.288 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 584' ' ' PHE . . . . . 0.449 ' O ' ' HG ' ' D' ' 588' ' ' LEU . 9.9 m-85 -80.37 -44.88 18.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.675 -0.239 . . . . 10.0 111.105 179.26 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 59.4 mt -59.85 -43.81 94.46 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.944 0.402 . . . . 10.0 110.84 179.464 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 3.4 p -64.0 -39.38 93.99 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.055 -0.52 . . . . 10.0 109.972 179.343 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 587' ' ' ALA . . . . . 0.592 ' HB2' ' HG2' ' A' ' 396' ' ' LYS . . . -63.27 -47.82 80.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.903 -0.59 . . . . 10.0 110.697 179.262 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 588' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' D' ' 584' ' ' PHE . 90.5 mt -56.39 -47.64 78.56 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.796 179.502 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -62.18 -41.94 98.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 10.0 111.118 179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 590' ' ' GLU . . . . . 0.415 ' HG3' ' NZ ' ' A' ' 396' ' ' LYS . 5.1 mm-40 -67.71 -45.69 74.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.132 -0.485 . . . . 10.0 111.889 -179.545 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 591' ' ' TYR . . . . . 0.403 ' CB ' ' H48' ' D' ' 630' ' ' 17F . 19.5 m-85 -63.05 -34.55 77.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.876 0.37 . . . . 10.0 111.074 -179.706 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 12.2 m -77.35 -26.83 52.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.767 179.544 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 25.6 ttmt -75.68 -42.33 51.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.102 -0.499 . . . . 10.0 109.819 179.529 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 594' ' ' LYS . . . . . 0.457 ' HE2' ' HB2' ' A' ' 388' ' ' SER . 6.1 mptt -75.09 -45.15 43.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.758 -0.656 . . . . 10.0 110.748 179.568 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 18.2 mt -97.18 64.48 1.94 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.682 -0.488 . . . . 10.0 109.682 179.492 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 . . . . . 0 C--N 1.322 -0.611 0 CA-C-N 116.098 -0.501 . . . . 10.0 111.449 -179.293 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 46.6 m . . . . . 0 N--CA 1.456 -0.171 0 CA-C-O 120.85 0.357 . . . . 10.0 110.954 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.17 128.33 55.42 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.493 -0.322 . . . . 10.0 110.154 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 73.2 tt0 -87.45 139.2 30.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.623 0.249 . . . . 10.0 110.55 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' TYR . . . . . 0.456 ' CD2' ' HB3' ' B' ' 51' ' ' CYS . 99.5 m-85 -131.68 109.86 10.48 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.194 179.737 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.793 ' HA ' ' HB3' ' B' ' 54' ' ' ASP . 46.4 mttm -79.61 108.26 13.02 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.266 -0.424 . . . . 10.0 110.483 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.626 HD11 HD22 ' B' ' 53' ' ' LEU . 17.6 mt -108.5 113.43 26.45 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.867 -0.606 . . . . 10.0 110.473 -179.115 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 89.5 t -100.84 123.0 53.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 N-CA-C 109.999 -0.371 . . . . 10.0 109.999 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.425 HG11 ' HB2' ' B' ' 16' ' ' LYS . 2.6 t -86.93 113.3 24.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.516 -0.55 . . . . 10.0 109.516 -179.524 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.5 m -111.64 152.63 13.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.834 -179.281 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 143.63 163.76 10.0 Favored Glycine 0 N--CA 1.444 -0.795 0 N-CA-C 111.122 -0.791 . . . . 10.0 111.122 -179.537 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.36 174.15 6.01 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.101 0.477 . . . . 10.0 111.092 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.48 145.24 27.51 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.906 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 92.94 8.29 61.92 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.975 -0.631 . . . . 10.0 112.284 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 32.0 m -90.83 -24.36 5.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.663 0.268 . . . . 10.0 111.156 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 100.33 22.56 11.42 Favored Glycine 0 CA--C 1.518 0.228 0 C-N-CA 120.921 -0.657 . . . . 10.0 113.113 179.421 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.671 ' HG2' ' O2B' ' B' ' 201' ' ' GSP . 2.3 ptmt -65.38 -25.59 67.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.112 0.482 . . . . 10.0 111.621 -179.691 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 17' ' ' SER . . . . . 0.592 ' HB2' ' O1A' ' B' ' 201' ' ' GSP . 0.9 OUTLIER -81.57 -45.85 15.28 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 109.017 -0.735 . . . . 10.0 109.017 178.359 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.17 -44.48 83.54 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.612 -0.722 . . . . 10.0 111.118 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 27.1 mt -59.5 -44.46 93.11 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.925 0.393 . . . . 10.0 110.773 179.285 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 21.6 m -65.6 -43.18 90.47 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.11 -0.495 . . . . 10.0 111.34 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 98.7 mt -62.76 -33.01 57.7 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 CA-C-O 121.118 0.485 . . . . 10.0 110.905 179.634 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' GLN . . . . . 0.587 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 7.5 mm-40 -70.74 -19.3 62.75 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.967 179.753 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 8.2 tp -94.12 -36.94 11.85 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.317 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.415 HD11 HD12 ' B' ' 55' ' ' ILE . 51.3 mm -82.4 -67.16 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.899 -179.324 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 25' ' ' GLN . . . . . 0.606 ' HB3' ' HD2' ' B' ' 27' ' ' HIS . 87.6 mt-30 -86.88 -13.71 44.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.763 0.316 . . . . 10.0 111.47 -179.275 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 26' ' ' ASN . . . . . 0.587 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 50.5 m-80 64.33 41.72 5.71 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 113.429 0.9 . . . . 10.0 113.429 178.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 27' ' ' HIS . . . . . 0.606 ' HD2' ' HB3' ' B' ' 25' ' ' GLN . 11.8 p80 -146.09 164.12 33.14 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.226 -0.443 . . . . 10.0 109.832 178.606 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -110.69 130.68 55.51 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.937 0.399 . . . . 10.0 111.605 -178.698 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 3.0 m -89.94 121.72 40.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.458 179.137 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -81.41 -26.38 35.44 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.028 0.442 . . . . 10.0 110.606 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -86.72 149.37 24.93 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.971 -0.559 . . . . 10.0 110.635 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 32' ' ' TYR . . . . . 0.554 ' CE1' H5'2 ' B' ' 201' ' ' GSP . 1.7 t80 -96.36 107.74 20.16 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.08 0.467 . . . . 10.0 111.618 -179.285 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -112.12 118.09 46.69 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 115.37 -0.832 . . . . 10.0 109.028 179.099 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' PRO . . . . . 0.691 ' HA ' ' S1G' ' B' ' 201' ' ' GSP . 37.3 Cg_exo -61.67 151.61 79.26 Favored 'Trans proline' 0 CA--C 1.533 0.462 0 C-N-CA 123.158 2.572 . . . . 10.0 112.799 -179.649 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.439 ' OG1' ' O3G' ' B' ' 201' ' ' GSP . 1.4 m -119.54 117.7 29.07 Favored 'General case' 0 C--N 1.332 -0.192 0 O-C-N 122.249 -0.282 . . . . 10.0 110.762 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 47.6 mm -88.07 -48.55 15.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 108.295 -1.002 . . . . 10.0 108.295 178.275 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -175.52 96.8 0.07 Allowed 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.478 -0.783 . . . . 10.0 109.433 179.29 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -131.89 127.29 36.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.507 -0.315 . . . . 10.0 110.31 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 22.2 p -117.47 149.31 40.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.376 -0.375 . . . . 10.0 111.308 -179.255 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -132.15 146.76 52.24 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.156 -0.474 . . . . 10.0 110.196 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 2.2 mpp_? -112.89 132.55 55.26 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.037 -0.528 . . . . 10.0 109.75 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 42' ' ' LYS . . . . . 0.424 ' HE3' ' CG1' ' B' ' 44' ' ' VAL . 54.4 tttp -143.51 125.37 15.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.754 0.311 . . . . 10.0 111.325 -179.322 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -98.94 116.58 31.49 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.434 -0.348 . . . . 10.0 110.105 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 44' ' ' VAL . . . . . 0.424 ' CG1' ' HE3' ' B' ' 42' ' ' LYS . 0.9 OUTLIER -133.28 164.35 35.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.888 0.375 . . . . 10.0 111.512 -179.152 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 21.7 t -102.61 98.58 7.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.907 -0.588 . . . . 10.0 109.504 179.356 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 46' ' ' ILE . . . . . 0.689 ' HA ' ' HD2' ' C' ' 128' ' ' LYS . 17.4 mt -108.0 122.49 62.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.969 -0.56 . . . . 10.0 110.534 -179.369 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 47' ' ' ASP . . . . . 0.561 ' H ' ' HD2' ' C' ' 128' ' ' LYS . 2.6 m-20 58.52 32.64 22.36 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.292 -0.867 . . . . 10.0 111.459 179.548 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.75 7.29 87.56 Favored Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 115.949 -0.569 . . . . 10.0 113.488 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -117.31 143.96 45.38 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.959 0.379 . . . . 10.0 111.47 -179.541 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.55 104.36 13.61 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.381 -0.599 . . . . 10.0 109.381 178.555 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 51' ' ' CYS . . . . . 0.456 ' HB3' ' CD2' ' B' ' 4' ' ' TYR . 3.5 m -105.42 136.39 45.06 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 112.356 0.502 . . . . 10.0 112.356 -178.101 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 66.2 tp -103.31 103.81 13.87 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.355 -0.98 . . . . 10.0 108.355 177.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' LEU . . . . . 0.626 HD22 HD11 ' B' ' 6' ' ' LEU . 51.4 mt -78.03 121.31 24.06 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 112.758 0.651 . . . . 10.0 112.758 -178.242 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 54' ' ' ASP . . . . . 0.793 ' HB3' ' HA ' ' B' ' 5' ' ' LYS . 33.9 t70 -106.9 75.95 1.07 Allowed 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 107.578 -1.267 . . . . 10.0 107.578 178.291 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 55' ' ' ILE . . . . . 0.418 ' H ' HG13 ' B' ' 55' ' ' ILE . 3.9 mt -79.09 136.38 23.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.54 -0.755 . . . . 10.0 111.581 -177.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 53.7 tp -139.03 106.41 5.53 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.714 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 57' ' ' ASP . . . . . 0.439 ' OD1' ' HE2' ' B' ' 16' ' ' LYS . 20.6 t0 -83.97 121.21 27.08 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.485 -0.561 . . . . 10.0 109.485 178.78 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 22.8 p -98.33 162.61 13.09 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.049 -0.523 . . . . 10.0 111.434 -178.681 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.91 127.07 31.8 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.738 -0.664 . . . . 10.0 110.979 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -102.35 15.87 55.77 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.716 -0.755 . . . . 10.0 111.463 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -92.48 20.72 5.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.719 0.295 . . . . 10.0 111.313 -179.593 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 59.2 -155.28 0.36 Allowed 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.872 -179.529 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 74.3 -44.74 0.57 Allowed 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.14 0.576 . . . . 10.0 111.684 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 64' ' ' TYR . . . . . 0.543 ' O ' ' HB2' ' B' ' 68' ' ' ARG . 93.4 m-85 -76.43 68.68 2.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.12 0.486 . . . . 10.0 110.833 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.77 -57.72 3.53 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.905 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.18 -20.04 52.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.033 -0.53 . . . . 10.0 111.071 -179.357 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.05 -31.96 44.71 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.712 179.7 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 68' ' ' ARG . . . . . 0.577 ' HA ' ' HD2' ' B' ' 71' ' ' TYR . 11.5 ttp180 -66.16 -31.02 71.61 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 116.134 -0.485 . . . . 10.0 111.624 -179.48 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -59.58 -37.1 77.61 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.384 0.612 . . . . 10.0 109.948 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -63.49 -39.74 95.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.331 -0.85 . . . . 10.0 111.262 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 71' ' ' TYR . . . . . 0.577 ' HD2' ' HA ' ' B' ' 68' ' ' ARG . 44.4 m-85 -71.43 -42.69 67.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.104 0.478 . . . . 10.0 110.575 179.729 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 72' ' ' MET . . . . . 0.445 ' SD ' ' HG2' ' B' ' 99' ' ' GLN . 66.2 mtt -63.22 -32.05 73.36 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.517 -0.765 . . . . 10.0 112.991 -178.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 73' ' ' ARG . . . . . 0.442 HH11 ' HD2' ' B' ' 73' ' ' ARG . 39.3 ttm180 -78.27 -4.72 49.26 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.216 0.531 . . . . 10.0 111.515 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 5.5 m -109.4 -44.41 3.91 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 122.136 -0.353 . . . . 10.0 111.366 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.59 152.28 52.25 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.787 -0.72 . . . . 10.0 113.456 -179.092 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -103.78 -48.55 3.9 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.325 0.584 . . . . 10.0 109.908 179.727 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -108.59 130.4 10.04 Favored Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 110.919 -0.872 . . . . 10.0 110.919 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 78' ' ' PHE . . . . . 0.835 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 96.9 m-85 -110.68 115.93 30.43 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.282 0.563 . . . . 10.0 111.603 -179.547 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.5 HD13 HD22 ' B' ' 159' ' ' LEU . 12.3 tp -90.1 102.6 15.31 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.563 -0.744 . . . . 10.0 109.864 179.648 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 3.6 m -85.35 94.22 8.9 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.209 -0.451 . . . . 10.0 109.873 -179.354 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 81' ' ' VAL . . . . . 0.42 HG22 ' HB ' ' B' ' 114' ' ' VAL . 42.3 t -101.06 125.49 54.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.144 -0.48 . . . . 10.0 111.341 -178.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 82' ' ' PHE . . . . . 0.798 ' HB2' ' HB2' ' B' ' 89' ' ' SER . 42.7 p90 -132.67 150.45 52.16 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.193 -0.458 . . . . 10.0 109.855 179.124 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -87.66 127.15 35.29 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.313 -0.625 . . . . 10.0 109.313 179.531 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 84' ' ' ILE . . . . . 0.732 HD11 ' HA ' ' B' ' 118' ' ' CYS . 25.0 pt -65.52 -15.47 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 112.347 0.499 . . . . 10.0 112.347 -179.225 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -89.65 -11.34 42.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.89 0.376 . . . . 10.0 110.78 179.304 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 43.4 t-20 -116.64 108.84 16.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.293 -179.323 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 3.1 m -65.38 -33.92 77.09 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.709 0.633 . . . . 10.0 112.709 -179.34 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -56.27 -44.31 79.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.464 -0.335 . . . . 10.0 111.359 -179.196 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 89' ' ' SER . . . . . 0.798 ' HB2' ' HB2' ' B' ' 82' ' ' PHE . 0.0 OUTLIER -63.81 -33.92 76.77 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.775 0.287 . . . . 10.0 111.775 -179.722 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 90' ' ' PHE . . . . . 0.412 ' HE1' ' HA ' ' B' ' 130' ' ' ALA . 71.3 t80 -67.13 -46.41 74.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.299 -0.409 . . . . 10.0 111.209 -179.383 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -73.41 -27.12 61.28 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.945 0.402 . . . . 10.0 111.467 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -71.36 -17.98 62.39 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.225 0.454 . . . . 10.0 112.225 -179.673 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 28.3 mm -53.62 -46.46 61.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.796 0.331 . . . . 10.0 110.906 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -63.83 -38.31 90.61 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.472 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -61.93 -41.51 98.03 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.029 -0.532 . . . . 10.0 111.002 -179.408 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 96' ' ' TYR . . . . . 0.403 ' O ' HG13 ' B' ' 100' ' ' ILE . 42.5 m-85 -76.6 -38.38 54.9 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.267 179.374 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 23.2 ttt180 -58.92 -46.48 87.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.016 -0.538 . . . . 10.0 111.587 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -62.51 -36.46 82.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 10.0 111.67 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 99' ' ' GLN . . . . . 0.445 ' HG2' ' SD ' ' B' ' 72' ' ' MET . 58.5 tt0 -67.39 -43.72 80.66 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.53 -0.544 . . . . 10.0 109.53 179.102 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 100' ' ' ILE . . . . . 0.403 HG13 ' O ' ' B' ' 96' ' ' TYR . 91.9 mt -57.67 -49.68 79.9 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.393 179.484 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 3.8 mtmp? -65.25 -30.93 71.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.049 -0.523 . . . . 10.0 111.216 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -72.32 -51.71 19.49 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.181 -0.463 . . . . 10.0 111.524 -179.477 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 95.8 t -64.36 -49.39 81.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.893 -0.594 . . . . 10.0 111.548 -178.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -72.83 -15.58 61.62 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.856 0.317 . . . . 10.0 111.856 -179.033 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 33.1 t0 57.87 63.86 1.68 Allowed 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.492 0.663 . . . . 10.0 111.504 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 11.0 t -160.28 157.72 28.58 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.394 -0.821 . . . . 10.0 109.477 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -97.37 -30.05 13.16 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.174 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -106.4 103.84 13.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.413 -0.358 . . . . 10.0 110.99 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 0.438 ' HA ' ' HD3' ' B' ' 110' ' ' PRO . 55.2 t -118.86 131.84 24.16 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 116.197 -0.456 . . . . 10.0 109.87 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 110' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 24.7 Cg_exo -65.12 104.12 0.57 Allowed 'Trans proline' 0 C--O 1.236 0.384 0 C-N-CA 122.969 2.446 . . . . 10.0 111.474 179.312 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 111' ' ' MET . . . . . 0.835 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 66.6 mtm -139.58 153.47 47.4 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.521 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 68.2 t -133.41 131.35 57.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 109.222 -0.658 . . . . 10.0 109.222 178.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 113' ' ' LEU . . . . . 0.455 ' HB3' ' HD1' ' B' ' 141' ' ' PHE . 11.0 tp -86.2 119.07 26.09 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.735 -0.468 . . . . 10.0 109.735 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 114' ' ' VAL . . . . . 0.42 ' HB ' HG22 ' B' ' 81' ' ' VAL . 79.5 t -121.22 127.93 75.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 120.992 0.425 . . . . 10.0 111.454 -178.508 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -105.43 117.22 5.47 Favored Glycine 0 N--CA 1.446 -0.671 0 N-CA-C 110.298 -1.121 . . . . 10.0 110.298 178.646 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -100.87 166.23 10.95 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 117.147 0.474 . . . . 10.0 111.132 -179.053 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 117' ' ' LYS . . . . . 0.45 ' HE2' ' C4 ' ' B' ' 201' ' ' GSP . 95.9 mttt 67.1 33.93 5.35 Favored 'General case' 0 N--CA 1.462 0.17 0 O-C-N 123.705 0.628 . . . . 10.0 112.215 179.225 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 118' ' ' CYS . . . . . 0.732 ' HA ' HD11 ' B' ' 84' ' ' ILE . 54.7 m -69.64 -6.96 34.91 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.063 0.394 . . . . 10.0 112.063 179.362 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.79 -29.85 29.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.526 179.342 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 120' ' ' LEU . . . . . 0.43 HD21 ' N2 ' ' B' ' 201' ' ' GSP . 43.9 mt -65.83 127.14 92.89 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 115.911 -0.586 . . . . 10.0 111.951 -178.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -72.81 167.68 26.59 Favored 'Trans proline' 0 C--O 1.236 0.379 0 C-N-CA 122.453 2.102 . . . . 10.0 111.571 179.574 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 12.7 m 60.2 46.03 10.88 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.821 -0.627 . . . . 10.0 111.677 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 1.7 ptp180 -63.07 142.45 58.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.303 -0.862 . . . . 10.0 111.16 179.313 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.52 -46.89 8.35 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.671 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 45.7 t -87.67 122.18 39.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.385 -0.37 . . . . 10.0 110.1 179.632 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -87.2 156.42 19.68 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.105 -0.498 . . . . 10.0 109.756 179.12 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.29 -42.27 98.37 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.542 -0.299 . . . . 10.0 111.038 -179.26 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 128' ' ' LYS . . . . . 0.997 ' HB2' ' HA ' ' C' ' 47' ' ' ASP . 18.5 pttt -54.81 -50.79 67.68 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.675 0.62 . . . . 10.0 112.675 -179.219 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -69.95 -35.78 74.76 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 111.915 0.339 . . . . 10.0 111.915 -179.13 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 130' ' ' ALA . . . . . 0.412 ' HA ' ' HE1' ' B' ' 90' ' ' PHE . . . -70.96 -42.57 69.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.247 0.546 . . . . 10.0 110.872 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -70.03 -34.35 73.16 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.816 -0.629 . . . . 10.0 111.802 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -68.26 -35.47 77.95 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 109.726 -0.472 . . . . 10.0 109.726 178.323 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 16.1 tp -65.39 -43.84 89.41 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 108.825 -0.806 . . . . 10.0 108.825 178.39 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.4 -35.81 82.06 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.53 -0.759 . . . . 10.0 109.913 178.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -61.09 -41.09 96.02 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.782 -0.645 . . . . 10.0 110.043 179.059 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 20.1 m -72.33 -25.19 61.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.69 179.67 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 17.1 m-30 -82.78 -26.54 31.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.518 179.332 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 86.36 18.95 58.05 Favored Glycine 0 N--CA 1.45 -0.409 0 N-CA-C 111.487 -0.645 . . . . 10.0 111.487 -179.101 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 139' ' ' ILE . . . . . 0.415 ' HA ' ' HD3' ' B' ' 140' ' ' PRO . 41.8 pt -118.33 153.15 51.59 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.787 -0.206 . . . . 10.0 110.563 -179.13 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 140' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' B' ' 139' ' ' ILE . 4.0 Cg_exo -77.0 149.57 28.94 Favored 'Trans proline' 0 C--O 1.236 0.395 0 C-N-CA 122.825 2.35 . . . . 10.0 112.227 179.546 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 141' ' ' PHE . . . . . 0.455 ' HD1' ' HB3' ' B' ' 113' ' ' LEU . 88.1 t80 -120.7 130.41 54.07 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.091 -0.504 . . . . 10.0 109.912 179.082 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 28.3 mt -127.77 132.05 69.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 120.816 0.341 . . . . 10.0 111.454 -179.084 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -83.54 127.62 33.87 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 108.804 -0.813 . . . . 10.0 108.804 178.179 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 62.0 p -139.03 176.82 8.37 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.626 0.727 . . . . 10.0 112.396 -178.077 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.95 114.22 1.08 Allowed 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.228 -1.027 . . . . 10.0 108.228 178.024 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 146' ' ' ALA . . . . . 0.441 ' HB3' ' N7 ' ' B' ' 201' ' ' GSP . . . -62.65 -35.19 78.84 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.184 0.439 . . . . 10.0 112.184 -178.695 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -59.41 -45.73 90.7 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.208 0.447 . . . . 10.0 112.208 -179.036 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.73 -5.06 46.24 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.618 0.247 . . . . 10.0 111.034 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 149' ' ' ARG . . . . . 0.528 ' HG3' ' HB3' ' B' ' 22' ' ' GLN . 29.1 ttt-85 61.65 31.66 18.62 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.784 -179.385 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -84.28 120.72 26.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.563 -0.744 . . . . 10.0 111.619 -179.036 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 74.17 10.58 81.55 Favored Glycine 0 CA--C 1.52 0.383 0 N-CA-C 114.545 0.578 . . . . 10.0 114.545 178.143 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 152' ' ' VAL . . . . . 0.411 ' O ' ' HD2' ' B' ' 156' ' ' PHE . 95.5 t -62.02 -49.16 85.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 117.261 0.531 . . . . 10.0 110.99 -179.536 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -67.02 -39.97 87.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.259 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -58.32 -43.91 88.42 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.687 -0.688 . . . . 10.0 111.55 -179.146 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.43 -44.58 95.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.002 -0.544 . . . . 10.0 111.365 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 156' ' ' PHE . . . . . 0.411 ' HD2' ' O ' ' B' ' 152' ' ' VAL . 57.5 m-85 -72.15 -40.47 68.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.33 -0.395 . . . . 10.0 111.831 -179.66 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 16.3 m-30 -61.25 -47.4 86.21 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.828 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 89.2 m -61.52 -35.24 77.16 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.086 -0.506 . . . . 10.0 111.452 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 159' ' ' LEU . . . . . 0.595 HD23 HD22 ' B' ' 6' ' ' LEU . 17.5 tp -64.27 -35.89 82.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.239 -0.437 . . . . 10.0 110.473 179.469 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 92.0 t -67.25 -40.15 84.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.321 -0.4 . . . . 10.0 111.059 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.24 -34.89 75.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.413 -0.358 . . . . 10.0 111.181 -179.723 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -66.91 -30.83 71.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 10.0 111.325 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 67.0 mt -73.03 -43.53 58.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.296 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 164' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' B' ' 164' ' ' ARG . 39.8 mtt85 -63.3 -39.13 93.71 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 109.646 -0.502 . . . . 10.0 109.646 178.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 165' ' ' LYS . . . . . 0.538 ' O ' ' HG3' ' B' ' 169' ' ' LYS . 5.5 ttmt -62.82 -43.53 98.55 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.322 -0.854 . . . . 10.0 109.067 178.562 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -58.71 -42.35 88.45 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.4 -0.818 . . . . 10.0 110.077 179.16 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -61.4 -50.16 73.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.232 179.355 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -59.66 -41.55 90.85 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.027 0.442 . . . . 10.0 110.19 179.241 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 169' ' ' LYS . . . . . 0.538 ' HG3' ' O ' ' B' ' 165' ' ' LYS . 2.0 mtpm? -61.53 -49.88 74.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.612 -0.722 . . . . 10.0 110.444 179.207 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 95.1 mmm -63.48 -37.15 86.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.994 -0.548 . . . . 10.0 111.965 -179.663 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 19.0 m -64.25 -27.25 68.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.882 0.372 . . . . 10.0 111.858 -179.668 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -99.59 -8.27 24.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.407 -0.36 . . . . 10.0 111.197 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 173' ' ' ASP . . . . . 0.481 ' HB3' ' H ' ' B' ' 174' ' ' GLY . 1.7 t70 61.65 -95.19 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.637 -0.711 . . . . 10.0 111.635 179.263 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 174' ' ' GLY . . . . . 0.481 ' H ' ' HB3' ' B' ' 173' ' ' ASP . . . -170.7 145.32 8.93 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 121.097 -0.573 . . . . 10.0 112.043 179.768 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 175' ' ' LYS . . . . . . . . . . . . . 53.6 mmtt 62.31 21.18 12.33 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 112.794 0.664 . . . . 10.0 112.794 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 176' ' ' LYS . . . . . 0.597 ' HZ1' ' C3 ' ' B' ' 209' ' ' 17F . 61.1 mmtt -106.76 25.03 11.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.318 0.58 . . . . 10.0 109.63 178.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 177' ' ' LYS . . . . . . . . . . . . . 10.7 ttpt -149.53 -167.3 2.79 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.198 -0.91 . . . . 10.0 109.079 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 53.5 mttm 63.09 65.16 0.8 Allowed 'General case' 0 C--O 1.235 0.325 0 CA-C-O 120.986 0.422 . . . . 10.0 111.737 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 179' ' ' LYS . . . . . 0.593 ' O ' ' H61' ' A' ' 401' ' ' PCW . 17.3 ptmt -87.18 7.11 29.69 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.892 -0.594 . . . . 10.0 110.662 179.72 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 38.1 mttt -102.54 117.47 34.76 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.436 179.029 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.34 164.88 22.8 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.277 -0.42 . . . . 10.0 110.069 179.614 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 182' ' ' LYS . . . . . 0.675 ' HB2' ' O4 ' ' B' ' 210' ' ' 17F . 74.0 mttt -81.39 -74.69 0.32 Allowed 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 121.089 -0.245 . . . . 10.0 110.934 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 183' ' ' THR . . . . . 0.851 ' HA ' ' H73' ' A' ' 409' ' ' PCW . 8.3 m 50.12 80.97 0.07 Allowed 'General case' 0 N--CA 1.465 0.29 0 O-C-N 123.821 0.701 . . . . 10.0 112.001 179.769 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 184' ' ' LYS . . . . . 0.649 ' H ' ' H61' ' A' ' 409' ' ' PCW . 7.3 ttpt . . . . . 0 C--O 1.236 0.343 0 CA-C-N 116.021 -0.536 . . . . 10.0 111.541 -179.508 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 CA--C 1.532 0.268 0 CA-C-O 120.698 0.285 . . . . 10.0 111.285 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 2' ' ' THR . . . . . 0.479 ' HB ' ' CE2' ' C' ' 4' ' ' TYR . 0.2 OUTLIER -83.65 121.14 26.86 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.558 -0.292 . . . . 10.0 110.412 179.743 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -82.79 134.51 35.11 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.111 0.481 . . . . 10.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 4' ' ' TYR . . . . . 0.505 ' CD2' ' HB3' ' C' ' 51' ' ' CYS . 92.5 m-85 -129.03 109.87 11.58 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.654 -0.703 . . . . 10.0 109.533 179.304 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 5' ' ' LYS . . . . . 0.63 ' HB2' ' HG3' ' C' ' 76' ' ' GLU . 18.6 mtmm -86.27 115.09 23.59 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.225 -0.443 . . . . 10.0 111.581 -179.568 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 6' ' ' LEU . . . . . 0.489 HD13 HD23 ' C' ' 159' ' ' LEU . 68.2 mt -118.1 138.03 52.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.419 -0.355 . . . . 10.0 111.038 -179.441 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 61.9 t -117.97 131.98 69.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 116.22 -0.445 . . . . 10.0 110.049 179.3 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.605 HG12 ' HD2' ' C' ' 16' ' ' LYS . 3.0 t -93.21 110.89 23.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.065 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 11.2 m -109.99 144.51 18.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.125 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 152.81 160.0 9.38 Favored Glycine 0 N--CA 1.447 -0.604 0 N-CA-C 111.299 -0.72 . . . . 10.0 111.299 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.81 172.55 3.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.076 0.465 . . . . 10.0 111.724 -179.67 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -83.1 147.63 27.99 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.01 0.433 . . . . 10.0 110.659 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.46 -4.02 86.3 Favored Glycine 0 N--CA 1.45 -0.376 0 CA-C-N 115.909 -0.587 . . . . 10.0 113.543 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 12.6 m -80.51 -14.77 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 117.237 0.519 . . . . 10.0 112.28 -179.405 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 15' ' ' GLY . . . . . 0.579 ' HA2' ' H8 ' ' C' ' 201' ' ' GSP . . . 90.42 43.93 4.78 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.643 -0.789 . . . . 10.0 113.973 179.239 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 16' ' ' LYS . . . . . 0.605 ' HD2' HG12 ' C' ' 8' ' ' VAL . 31.4 mtmm -71.71 -53.03 14.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.855 0.359 . . . . 10.0 110.349 179.231 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 17' ' ' SER . . . . . 0.486 ' OG ' ' O3G' ' C' ' 201' ' ' GSP . 17.4 m -65.9 -29.96 70.48 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.55 -0.75 . . . . 10.0 111.604 -179.329 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.93 -42.92 72.85 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.829 0.347 . . . . 10.0 110.308 178.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 19' ' ' LEU . . . . . 0.774 HD23 ' HB2' ' C' ' 146' ' ' ALA . 32.3 mt -71.78 -39.18 70.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.541 179.689 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.72 -48.03 76.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.437 -0.347 . . . . 10.0 111.179 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 99.3 mt -64.54 -36.13 76.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.702 -179.634 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 22' ' ' GLN . . . . . 0.53 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 1.9 mm-40 -67.8 -20.47 65.19 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.066 0.46 . . . . 10.0 110.989 179.143 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 10.0 tp -91.79 -40.64 11.11 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.279 179.648 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 45.9 mm -77.8 -66.8 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.84 -0.618 . . . . 10.0 112.612 -179.167 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -93.43 -4.92 50.47 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.451 0.537 . . . . 10.0 112.451 -177.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 26' ' ' ASN . . . . . 0.53 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 42.6 m-80 58.24 52.73 7.13 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 113.832 1.049 . . . . 10.0 113.832 178.591 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 14.4 p80 -155.35 151.23 27.68 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 120.592 0.234 . . . . 10.0 110.966 178.33 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -96.48 131.23 43.28 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.149 -0.478 . . . . 10.0 111.272 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 9.4 m -99.11 129.18 49.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.281 179.295 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -99.44 -3.88 32.69 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.345 0.593 . . . . 10.0 110.198 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -98.05 122.88 41.72 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.529 -0.76 . . . . 10.0 110.279 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -63.01 122.02 15.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.016 -0.538 . . . . 10.0 111.936 -178.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -120.91 109.85 35.43 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.619 -0.719 . . . . 10.0 110.257 179.714 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -83.04 65.7 7.92 Favored 'Trans proline' 0 N--CA 1.456 -0.681 0 C-N-CA 123.157 2.571 . . . . 10.0 112.083 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 35' ' ' THR . . . . . 0.484 ' OG1' ' O3G' ' C' ' 201' ' ' GSP . 0.0 OUTLIER -70.93 122.33 19.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.994 0.426 . . . . 10.0 110.909 179.356 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 36' ' ' ILE . . . . . 0.772 ' HA ' ' HB2' ' C' ' 59' ' ' ALA . 31.6 mm -77.38 -41.92 30.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.791 -0.641 . . . . 10.0 110.14 179.606 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -163.22 102.08 0.96 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.355 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -127.38 120.13 27.79 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.205 -0.452 . . . . 10.0 110.678 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.72 148.3 22.24 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.339 -0.391 . . . . 10.0 111.389 -179.405 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -136.61 145.47 44.92 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.28 -0.418 . . . . 10.0 110.278 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 41' ' ' ARG . . . . . 0.426 ' HA ' ' O ' ' C' ' 53' ' ' LEU . 1.5 mpp_? -122.72 144.91 48.85 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 116.791 -0.186 . . . . 10.0 110.671 179.588 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 49.6 tttp -159.52 153.77 23.71 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.199 179.516 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -126.9 120.21 28.63 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.881 -0.415 . . . . 10.0 109.881 179.12 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 4.3 m -139.28 163.06 26.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 110.366 -0.235 . . . . 10.0 110.366 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 24.5 t -97.77 96.03 4.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.204 0.526 . . . . 10.0 109.785 179.477 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 46' ' ' ILE . . . . . 0.651 HD13 HG21 ' C' ' 160' ' ' VAL . 56.7 mt -94.5 115.31 33.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.649 -0.705 . . . . 10.0 111.31 -178.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 47' ' ' ASP . . . . . 0.997 ' HA ' ' HB2' ' B' ' 128' ' ' LYS . 28.1 m-20 63.13 16.55 9.45 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.072 -0.967 . . . . 10.0 112.277 179.582 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 106.99 -10.79 40.68 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.269 -0.967 . . . . 10.0 112.411 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -103.22 131.74 50.03 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 110.133 -0.321 . . . . 10.0 110.133 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.73 109.91 12.14 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.209 -1.034 . . . . 10.0 108.209 178.185 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 51' ' ' CYS . . . . . 0.505 ' HB3' ' CD2' ' C' ' 4' ' ' TYR . 2.7 m -107.93 150.91 26.49 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.15 0.5 . . . . 10.0 112.339 -178.03 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 32.1 tp -107.29 115.21 29.76 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 108.113 -1.069 . . . . 10.0 108.113 178.04 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 53' ' ' LEU . . . . . 0.426 ' O ' ' HA ' ' C' ' 41' ' ' ARG . 73.3 mt -89.89 127.27 35.97 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 113.035 0.754 . . . . 10.0 113.035 -177.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -121.64 79.5 1.56 Allowed 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 106.632 -1.618 . . . . 10.0 106.632 177.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 4.4 mt -87.34 143.42 11.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.365 -0.834 . . . . 10.0 111.778 -177.276 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 36.6 tp -127.44 110.57 12.9 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.872 -0.604 . . . . 10.0 110.845 179.544 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 57' ' ' ASP . . . . . 0.455 ' OD2' ' O3G' ' C' ' 201' ' ' GSP . 21.9 t70 -89.61 105.54 17.87 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.4 -0.593 . . . . 10.0 109.4 179.116 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 1.9 p -103.55 159.56 15.49 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.111 -0.495 . . . . 10.0 111.883 -179.427 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 59' ' ' ALA . . . . . 0.869 ' HA ' ' S1G' ' C' ' 201' ' ' GSP . . . -74.25 162.06 29.3 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.378 -179.468 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -127.41 33.47 3.29 Favored Glycine 0 N--CA 1.445 -0.704 0 N-CA-C 111.482 -0.647 . . . . 10.0 111.482 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -90.74 12.2 19.91 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.47 0.176 . . . . 10.0 111.222 -179.581 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 59.66 -164.11 0.22 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.975 -0.557 . . . . 10.0 111.434 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 70.3 -2.68 2.06 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 112.484 0.55 . . . . 10.0 112.484 179.61 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 64' ' ' TYR . . . . . 0.845 ' HB3' ' HB3' ' C' ' 67' ' ' MET . 19.9 m-85 -97.2 57.94 1.49 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.725 0.298 . . . . 10.0 110.793 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.6 -40.08 95.77 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.694 -0.684 . . . . 10.0 111.597 -179.218 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.02 -38.48 14.38 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.429 -0.351 . . . . 10.0 111.098 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 67' ' ' MET . . . . . 0.845 ' HB3' ' HB3' ' C' ' 64' ' ' TYR . 24.8 ttt -59.9 -40.94 90.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.368 -179.733 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 68' ' ' ARG . . . . . 0.481 ' HB2' ' O ' ' C' ' 64' ' ' TYR . 1.0 OUTLIER -59.44 -46.48 88.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.892 179.85 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -60.03 -30.16 68.99 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 115.765 -0.652 . . . . 10.0 112.036 -179.374 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -64.27 -60.02 3.7 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.478 0.547 . . . . 10.0 112.478 -179.192 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 71' ' ' TYR . . . . . 0.437 ' CZ ' ' HA ' ' C' ' 68' ' ' ARG . 24.5 p90 -77.42 -20.87 53.91 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 113.468 0.914 . . . . 10.0 113.468 -178.147 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 72' ' ' MET . . . . . 0.501 ' HA ' ' HZ ' ' C' ' 78' ' ' PHE . 33.0 mtt -66.39 -25.43 66.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.986 0.422 . . . . 10.0 111.361 179.505 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 73' ' ' ARG . . . . . 0.604 ' HG3' HG12 ' C' ' 103' ' ' VAL . 10.2 mtm180 -82.28 -29.25 31.29 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.813 179.05 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.81 -36.13 20.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.038 -0.528 . . . . 10.0 111.164 -179.304 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.87 130.55 36.36 Favored Glycine 0 N--CA 1.449 -0.458 0 CA-C-N 116.004 -0.544 . . . . 10.0 113.038 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 76' ' ' GLU . . . . . 0.63 ' HG3' ' HB2' ' C' ' 5' ' ' LYS . 29.6 mt-10 -92.29 -42.46 9.82 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.186 0.517 . . . . 10.0 110.029 179.722 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -120.69 138.53 12.84 Favored Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 110.378 -1.089 . . . . 10.0 110.378 178.632 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 78' ' ' PHE . . . . . 0.555 ' HB2' ' HG2' ' C' ' 111' ' ' MET . 80.9 m-85 -115.53 131.6 56.88 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.143 0.497 . . . . 10.0 111.865 -178.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 12.0 tp -103.49 104.08 14.11 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.606 -0.725 . . . . 10.0 109.975 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 3.8 m -84.19 99.36 10.48 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.791 -0.448 . . . . 10.0 109.791 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 40.1 t -105.78 131.08 56.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 10.0 111.51 -179.069 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 82' ' ' PHE . . . . . 0.508 ' HB3' HD11 ' C' ' 93' ' ' ILE . 17.4 p90 -144.38 157.61 44.17 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.961 -0.563 . . . . 10.0 109.948 179.293 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -93.9 133.09 37.68 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.28 -0.418 . . . . 10.0 110.662 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 84' ' ' ILE . . . . . 0.557 HD12 ' HB3' ' C' ' 123' ' ' ARG . 20.7 pt -68.07 -12.15 15.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.36 -0.382 . . . . 10.0 111.662 -179.621 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 40.5 p30 -104.97 13.78 30.46 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.149 0.5 . . . . 10.0 110.492 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -134.92 95.81 3.4 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.136 179.445 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 87' ' ' THR . . . . . 0.409 ' O ' ' HG3' ' C' ' 91' ' ' GLU . 6.5 m -62.07 -28.15 69.4 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.964 -0.562 . . . . 10.0 111.044 -179.772 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 23.4 tptp -55.93 -54.08 49.09 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.55 179.224 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 89' ' ' SER . . . . . 0.402 ' HA ' ' HB2' ' C' ' 92' ' ' ASP . 2.7 p -65.6 -23.0 66.72 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 116.311 -0.404 . . . . 10.0 111.671 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -68.27 -33.63 74.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.067 0.461 . . . . 10.0 110.036 179.238 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 91' ' ' GLU . . . . . 0.409 ' HG3' ' O ' ' C' ' 87' ' ' THR . 17.7 mt-10 -85.88 -21.07 28.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.178 179.45 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 92' ' ' ASP . . . . . 0.402 ' HB2' ' HA ' ' C' ' 89' ' ' SER . 2.1 m-20 -67.54 -29.19 68.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.536 -0.756 . . . . 10.0 110.763 179.334 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 93' ' ' ILE . . . . . 0.508 HD11 ' HB3' ' C' ' 82' ' ' PHE . 50.0 mm -52.31 -45.82 44.88 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.157 0 CA-C-N 115.895 -0.593 . . . . 10.0 111.123 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 42.9 t60 -59.09 -50.71 73.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 10.0 110.769 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 74.8 m-70 -56.0 -48.12 76.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.931 -0.577 . . . . 10.0 111.698 -179.374 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -65.06 -49.5 69.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.436 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 97' ' ' ARG . . . . . 0.464 ' O ' ' HG3' ' C' ' 101' ' ' LYS . 4.4 tmt_? -57.25 -48.31 79.16 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.068 -0.515 . . . . 10.0 111.951 -179.033 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 98' ' ' GLU . . . . . 0.505 ' HA ' ' HE2' ' C' ' 101' ' ' LYS . 12.8 mm-40 -66.46 -31.5 72.29 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.198 -0.455 . . . . 10.0 111.719 -179.346 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 99' ' ' GLN . . . . . 0.434 ' O ' HG23 ' C' ' 103' ' ' VAL . 46.9 tt0 -71.73 -42.19 67.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.682 0.277 . . . . 10.0 110.644 179.538 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 100' ' ' ILE . . . . . 0.465 HG21 HG11 ' C' ' 109' ' ' VAL . 75.6 mt -57.26 -43.23 81.62 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.619 179.679 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 101' ' ' LYS . . . . . 0.505 ' HE2' ' HA ' ' C' ' 98' ' ' GLU . 29.4 mtmt -59.54 -35.24 73.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.888 -0.596 . . . . 10.0 111.123 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 6.8 tmm_? -73.64 -45.28 53.69 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.037 -179.211 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 103' ' ' VAL . . . . . 0.604 HG12 ' HG3' ' C' ' 73' ' ' ARG . 36.9 t -64.47 -44.48 96.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.019 -0.537 . . . . 10.0 112.101 -179.272 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 104' ' ' LYS . . . . . 0.461 ' HD2' ' HE2' ' C' ' 78' ' ' PHE . 30.7 mtpp -88.36 -5.17 58.46 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.412 -179.415 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 30.2 t70 52.35 61.57 3.13 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.031 -0.531 . . . . 10.0 111.431 -179.516 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 43.5 t -169.31 131.82 1.22 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.736 -0.666 . . . . 10.0 110.65 -179.129 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.07 -22.81 58.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.431 0.634 . . . . 10.0 109.422 178.661 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -98.26 109.01 21.84 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.641 -0.708 . . . . 10.0 110.231 179.373 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 109' ' ' VAL . . . . . 0.465 HG11 HG21 ' C' ' 100' ' ' ILE . 94.0 t -136.44 127.08 16.47 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 115.781 -0.645 . . . . 10.0 109.665 -179.753 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -60.6 103.99 0.24 Allowed 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.661 2.241 . . . . 10.0 112.057 179.638 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 111' ' ' MET . . . . . 0.555 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 55.0 mtm -138.62 150.31 46.13 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.266 -179.732 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 86.1 t -130.75 133.97 62.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.013 -0.736 . . . . 10.0 109.013 178.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 12.7 tp -84.45 108.92 17.51 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.53 -0.545 . . . . 10.0 109.53 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 59.7 t -104.48 116.33 48.07 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.479 -178.59 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -98.24 119.03 6.31 Favored Glycine 0 N--CA 1.443 -0.84 0 N-CA-C 110.128 -1.189 . . . . 10.0 110.128 178.562 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 67.3 t30 -105.15 164.87 11.49 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.796 0.298 . . . . 10.0 110.996 -179.096 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 117' ' ' LYS . . . . . 0.69 ' HG2' ' C6 ' ' C' ' 201' ' ' GSP . 89.4 mttt 67.79 28.38 7.15 Favored 'General case' 0 CA--C 1.522 -0.128 0 CA-C-N 115.36 -0.836 . . . . 10.0 112.004 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 118' ' ' CYS . . . . . 0.504 ' HA ' ' CD1' ' C' ' 84' ' ' ILE . 94.2 m -72.03 -16.34 62.05 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.81 0.67 . . . . 10.0 112.81 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -86.63 -3.8 59.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.76 0.314 . . . . 10.0 111.456 -179.583 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 120' ' ' LEU . . . . . 0.578 HD12 ' HB3' ' C' ' 117' ' ' LYS . 87.0 mt -88.22 133.2 37.36 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.243 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -63.8 144.94 90.05 Favored 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 122.361 2.041 . . . . 10.0 111.855 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 20.7 m 72.12 110.24 0.06 Allowed 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.839 -0.618 . . . . 10.0 111.964 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 123' ' ' ARG . . . . . 0.557 ' HB3' HD12 ' C' ' 84' ' ' ILE . 2.2 ptp180 -121.38 130.36 53.56 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.857 -0.61 . . . . 10.0 110.693 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -80.12 -34.93 37.41 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.242 0.544 . . . . 10.0 110.189 179.502 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 60.0 t -93.61 125.87 46.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.683 -0.689 . . . . 10.0 110.45 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -76.72 139.57 40.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.903 -0.59 . . . . 10.0 110.193 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 3.6 m -59.43 -45.51 91.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.442 -0.345 . . . . 10.0 111.014 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 128' ' ' LYS . . . . . 0.689 ' HD2' ' HA ' ' B' ' 46' ' ' ILE . 33.5 mtmm -65.04 -32.58 74.37 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.427 -179.145 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -65.74 -45.11 83.83 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.0 -0.545 . . . . 10.0 109.851 179.349 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -70.11 -35.07 73.87 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.789 -0.641 . . . . 10.0 110.385 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -65.34 -48.19 73.88 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.824 -0.625 . . . . 10.0 110.679 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -65.06 -36.48 84.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.432 . . . . 10.0 110.874 179.635 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 22.5 tp -65.44 -43.18 91.26 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 109.647 -0.501 . . . . 10.0 109.647 178.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.17 -34.77 78.83 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.376 -0.602 . . . . 10.0 109.376 178.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 7.0 tmm_? -62.47 -37.23 85.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.642 -0.708 . . . . 10.0 109.436 178.562 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 5.8 m -66.39 -40.13 89.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.781 -0.645 . . . . 10.0 111.022 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 137' ' ' TYR . . . . . 0.49 ' HB2' HG12 ' C' ' 139' ' ' ILE . 22.1 m-85 -76.9 -26.94 54.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.801 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 88.06 24.24 35.43 Favored Glycine 0 N--CA 1.45 -0.395 0 N-CA-C 111.21 -0.756 . . . . 10.0 111.21 -179.232 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 139' ' ' ILE . . . . . 0.49 HG12 ' HB2' ' C' ' 137' ' ' TYR . 47.0 pt -113.82 152.89 46.0 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 115.482 -0.359 . . . . 10.0 110.881 -179.534 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_exo -74.58 148.83 37.92 Favored 'Trans proline' 0 C--O 1.236 0.377 0 C-N-CA 122.91 2.407 . . . . 10.0 111.961 179.383 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -128.99 131.29 47.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.869 -0.605 . . . . 10.0 110.687 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 6.0 mt -139.52 127.62 26.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.169 -0.468 . . . . 10.0 111.098 179.646 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -76.83 132.18 39.05 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 108.818 -0.808 . . . . 10.0 108.818 177.537 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 11.0 p -137.67 178.5 7.06 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 113.76 1.022 . . . . 10.0 113.76 -178.046 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 11.0 t -167.42 118.4 0.87 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.084 -0.962 . . . . 10.0 109.017 179.685 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 146' ' ' ALA . . . . . 0.774 ' HB2' HD23 ' C' ' 19' ' ' LEU . . . -75.15 -31.57 61.07 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.335 0.494 . . . . 10.0 112.335 -178.657 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -65.98 -28.8 69.17 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.885 0.374 . . . . 10.0 111.647 -179.453 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 42.2 p -107.32 -3.89 19.19 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.793 0.33 . . . . 10.0 110.685 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 149' ' ' ARG . . . . . 0.411 ' HG3' HG21 ' C' ' 152' ' ' VAL . 0.2 OUTLIER 56.34 57.3 5.04 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 122.016 0.912 . . . . 10.0 110.953 -178.801 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -107.39 110.69 22.74 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.098 -0.955 . . . . 10.0 110.941 -179.319 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 64.96 29.23 74.83 Favored Glycine 0 CA--C 1.52 0.389 0 N-CA-C 114.528 0.571 . . . . 10.0 114.528 178.585 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 152' ' ' VAL . . . . . 0.411 HG21 ' HG3' ' C' ' 149' ' ' ARG . 29.6 t -66.36 -56.29 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.078 0.466 . . . . 10.0 109.947 179.734 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -67.07 -32.13 73.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.666 -0.697 . . . . 10.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -61.77 -46.24 90.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.057 -0.519 . . . . 10.0 111.913 -179.328 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -56.4 -44.91 80.74 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.92 0.39 . . . . 10.0 111.022 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 156' ' ' PHE . . . . . 0.518 ' O ' HG23 ' C' ' 160' ' ' VAL . 63.2 m-85 -69.08 -41.91 76.9 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.33 179.645 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -58.74 -43.07 90.12 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.191 0.519 . . . . 10.0 110.109 179.377 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 86.7 m -63.44 -39.54 94.76 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.615 -0.721 . . . . 10.0 111.603 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 159' ' ' LEU . . . . . 0.489 HD23 HD13 ' C' ' 6' ' ' LEU . 13.5 tp -63.05 -36.95 85.27 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-O 120.961 0.41 . . . . 10.0 111.244 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 160' ' ' VAL . . . . . 0.651 HG21 HD13 ' C' ' 46' ' ' ILE . 22.7 t -66.9 -36.2 76.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 N-CA-C 109.695 -0.483 . . . . 10.0 109.695 178.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -63.2 -38.77 92.49 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 115.717 -0.674 . . . . 10.0 110.253 179.499 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -66.15 -38.68 88.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.027 -0.533 . . . . 10.0 109.996 179.108 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 82.5 mt -64.13 -48.07 87.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.162 178.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 44.2 mtt85 -65.78 -35.25 80.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.241 0.543 . . . . 10.0 109.621 179.113 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -62.69 -47.91 81.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.384 -0.826 . . . . 10.0 110.189 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 46.0 t-80 -59.17 -44.73 92.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 10.0 111.166 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -60.76 -45.25 95.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.485 -0.325 . . . . 10.0 111.356 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -68.75 -46.85 67.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.952 0.406 . . . . 10.0 111.141 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 169' ' ' LYS . . . . . 0.435 ' HB3' ' HE2' ' C' ' 169' ' ' LYS . 39.7 mtpt -63.45 -31.89 73.18 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.131 -0.486 . . . . 10.0 112.133 -179.183 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 6.3 mmt -73.27 -23.46 60.31 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 112.107 0.41 . . . . 10.0 112.107 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 44.0 m -75.16 -1.56 23.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.152 0.501 . . . . 10.0 111.204 179.464 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 36.1 mtpt -105.37 -8.42 18.2 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.309 -0.626 . . . . 10.0 109.309 178.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 173' ' ' ASP . . . . . . . . . . . . . 1.3 t70 50.35 37.57 15.69 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 115.407 -0.815 . . . . 10.0 110.896 -178.613 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . 123.81 -105.93 0.93 Allowed Glycine 0 N--CA 1.442 -0.914 0 N-CA-C 109.974 -1.25 . . . . 10.0 109.974 -178.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 175' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -144.88 15.64 1.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.914 0.388 . . . . 10.0 111.426 179.372 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 176' ' ' LYS . . . . . . . . . . . . . 10.2 mmmt -91.86 99.41 12.28 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.187 -179.548 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 177' ' ' LYS . . . . . . . . . . . . . 5.0 mmtp -157.05 -62.07 0.09 Allowed 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.612 179.354 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 178' ' ' LYS . . . . . 0.425 ' HD3' ' HA ' ' C' ' 178' ' ' LYS . 12.8 tppt? 67.66 116.51 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.211 0 O-C-N 123.872 0.732 . . . . 10.0 112.536 179.306 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 179' ' ' LYS . . . . . 0.488 ' O ' ' H63' ' C' ' 212' ' ' PCW . 67.8 mttm -78.46 -57.66 3.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.0 -0.545 . . . . 10.0 111.421 -179.295 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 180' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -116.9 125.43 51.48 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.462 -0.336 . . . . 10.0 110.515 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.65 -60.68 2.22 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.982 -0.554 . . . . 10.0 111.429 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 182' ' ' LYS . . . . . . . . . . . . . 25.5 mttm -110.38 114.55 28.08 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.985 0.422 . . . . 10.0 111.549 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -133.82 23.84 3.95 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.846 -0.616 . . . . 10.0 110.414 179.255 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 184' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.264 -179.72 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 401' ' ' PCW . . . . . 0.948 ' C6 ' ' H2 ' ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 402' ' ' PCW . . . . . 1.089 H181 H211 ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 403' ' ' PCW . . . . . 1.108 H321 ' H51' ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 404' ' ' PCW . . . . . 1.106 ' C16' H421 ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 405' ' ' PCW . . . . . 0.939 H281 H221 ' A' ' 418' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 406' ' ' PCW . . . . . 1.108 ' H51' H321 ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 407' ' ' PCW . . . . . 1.102 ' H63' H371 ' A' ' 410' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 408' ' ' PCW . . . . . 1.01 H441 HD13 ' A' ' 239' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 409' ' ' PCW . . . . . 1.209 ' C19' H142 ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 410' ' ' PCW . . . . . 1.102 H371 ' H63' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 411' ' ' PCW . . . . . 0.946 ' C4 ' H322 ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 412' ' ' PCW . . . . . 0.821 H483 H251 ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 413' ' ' PCW . . . . . 1.091 H431 H232 ' C' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 414' ' ' PCW . . . . . 1.041 H181 H221 ' A' ' 414' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 415' ' ' 17F . . . . . 1.114 ' H61' ' H37' ' B' ' 209' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 416' ' ' 17F . . . . . 1.021 ' H57' H211 ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 417' ' ' PCW . . . . . 1.06 H451 H242 ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 418' ' ' PCW . . . . . 1.023 H361 H131 ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 419' ' ' PCW . . . . . 1.044 ' H40' H441 ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 420' ' ' PCW . . . . . 1.065 H372 ' C43' ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 421' ' ' PCW . . . . . 1.096 ' C12' ' H9 ' ' D' ' 630' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 422' ' ' 17F . . . . . 1.006 ' H39' ' H71' ' C' ' 219' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 601' ' ' PCW . . . . . 0.974 H421 H461 ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 602' ' ' PCW . . . . . 0.983 H172 H212 ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 603' ' ' PCW . . . . . 0.997 H182 H222 ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 604' ' ' PCW . . . . . 1.007 H322 H122 ' D' ' 606' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 605' ' ' PCW . . . . . 0.975 ' C18' H362 ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 606' ' ' PCW . . . . . 1.007 H122 H322 ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 607' ' ' PCW . . . . . 1.031 H352 H372 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 608' ' ' PCW . . . . . 1.03 ' H41' H222 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 609' ' ' PCW . . . . . 1.105 H483 H472 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 610' ' ' PCW . . . . . 1.043 ' H63' ' H6A' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 611' ' ' PCW . . . . . 0.962 ' O11' ' H62' ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 612' ' ' PCW . . . . . 1.144 ' C32' H352 ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 613' ' ' PCW . . . . . 1.023 H131 H361 ' A' ' 418' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 614' ' ' PCW . . . . . 0.975 H362 ' C18' ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 615' ' ' PCW . . . . . 0.996 H461 H421 ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 616' ' ' PCW . . . . . 0.728 H161 H11A ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 617' ' ' PCW . . . . . 0.962 ' H62' ' O11' ' D' ' 611' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 618' ' ' PCW . . . . . 1.065 ' C43' H372 ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 619' ' ' PCW . . . . . 0.929 ' C38' H161 ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 620' ' ' PCW . . . . . 0.955 ' H63' ' H2 ' ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 621' ' ' PCW . . . . . 0.816 ' C4 ' ' H2 ' ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 622' ' ' PCW . . . . . 0.984 H481 ' H12' ' A' ' 422' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 623' ' ' PCW . . . . . 1.144 H352 ' C32' ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 624' ' ' PCW . . . . . 1.043 H242 H242 ' C' ' 217' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 625' ' ' PCW . . . . . 1.09 ' C41' H412 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 626' ' ' PCW . . . . . 1.09 H412 ' C41' ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 627' ' ' PCW . . . . . 1.098 ' H20' ' C35' ' C' ' 217' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 628' ' ' 17F . . . . . 1.047 ' H57' H19A ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 629' ' ' 17F . . . . . 0.974 ' C2X' H262 ' D' ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 630' ' ' 17F . . . . . 1.096 ' H9 ' ' C12' ' A' ' 421' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 631' ' ' 17F . . . . . 1.043 ' H6A' ' H63' ' D' ' 610' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 632' ' ' 17F . . . . . 0.997 ' H71' ' H65' ' A' ' 422' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 201' ' ' GSP . . . . . 0.691 ' S1G' ' HA ' ' B' ' 34' ' ' PRO . . . . . . . . 0 O4'--C1' 1.436 1.838 2 O4'-C1'-N19 113.094 4.894 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 202' ' ' ' MG' . . . . . 0.642 'MG ' ' O3G' ' B' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 203' ' ' PCW . . . . . 1.017 H461 ' H51' ' C' ' 215' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 204' ' ' PCW . . . . . 1.021 H211 ' H57' ' A' ' 416' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 205' ' ' PCW . . . . . 1.028 H322 H361 ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 206' ' ' PCW . . . . . 0.885 H231 H151 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 207' ' ' PCW . . . . . 1.066 H132 H332 ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 208' ' ' PCW . . . . . 1.136 ' H40' H271 ' C' ' 216' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 209' ' ' 17F . . . . . 1.114 ' H37' ' H61' ' A' ' 415' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 210' ' ' 17F . . . . . 0.991 H19A ' H19' ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 211' ' ' 17F . . . . . 1.067 ' H77' ' H31' ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 201' ' ' GSP . . . . . 0.869 ' S1G' ' HA ' ' C' ' 59' ' ' ALA . . . . . . . . 0 O4'--C1' 1.438 1.984 2 O4'-C1'-N19 113.464 5.264 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 202' ' ' ' MG' . . . . . 0.597 'MG ' ' O3G' ' C' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 203' ' ' PCW . . . . . 1.058 H132 H171 ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 204' ' ' PCW . . . . . 0.959 H461 H421 ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 205' ' ' PCW . . . . . 0.885 H151 H231 ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 206' ' ' PCW . . . . . 1.11 H242 H411 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 207' ' ' PCW . . . . . 1.081 H471 H282 ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 208' ' ' PCW . . . . . 1.11 H411 H242 ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 209' ' ' PCW . . . . . 1.071 ' O4P' ' H32' ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 210' ' ' PCW . . . . . 1.091 H232 H431 ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 211' ' ' PCW . . . . . 1.046 ' H12' ' C5 ' ' C' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 212' ' ' PCW . . . . . 0.991 H241 ' H20' ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 213' ' ' 17F . . . . . 1.041 ' H31' ' H19' ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 214' ' ' 17F . . . . . 1.09 ' H75' H442 ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 215' ' ' 17F . . . . . 1.017 ' H51' H461 ' B' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 216' ' ' PCW . . . . . 1.136 H271 ' H40' ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 217' ' ' PCW . . . . . 1.098 ' C35' ' H20' ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 218' ' ' 17F . . . . . 0.98 ' H49' H452 ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 219' ' ' 17F . . . . . 1.037 ' H59' H12A ' C' ' 219' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 38.5 mt . . . . . 0 N--CA 1.455 -0.222 0 N-CA-C 110.052 -0.351 . . . . 10.0 110.052 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 5.1 tmtm? -63.24 -47.26 83.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.796 -0.638 . . . . 10.0 111.356 -179.027 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 203' ' ' LEU . . . . . 0.428 ' O ' ' HB2' ' A' ' 207' ' ' TRP . 36.7 mt -62.59 -36.09 81.59 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.201 0.445 . . . . 10.0 112.201 -179.352 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 71.5 mt -74.99 -52.53 10.89 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.786 0.327 . . . . 10.0 110.968 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -57.82 -44.22 86.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.73 -0.668 . . . . 10.0 112.118 -179.414 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -74.38 -18.18 60.71 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.071 0.463 . . . . 10.0 111.76 -179.63 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 207' ' ' TRP . . . . . 0.428 ' HB2' ' O ' ' A' ' 203' ' ' LEU . 35.6 t90 -77.67 -28.94 51.32 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.068 0.461 . . . . 10.0 110.146 179.637 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -63.61 -36.71 84.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.682 179.639 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.67 -39.4 94.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.342 179.607 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 40.1 t -68.7 -43.3 83.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 109.53 -0.545 . . . . 10.0 109.53 179.328 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 23.0 m -61.94 -44.86 95.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.364 -0.835 . . . . 10.0 111.51 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 4.2 p -64.25 -35.51 81.06 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.87 0.367 . . . . 10.0 110.51 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 30.7 m -64.32 -47.28 79.99 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 108.962 -0.755 . . . . 10.0 108.962 178.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -60.85 -38.77 86.68 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.152 -0.476 . . . . 10.0 111.201 179.155 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 215' ' ' SER . . . . . 0.479 ' O ' ' HG3' ' A' ' 219' ' ' GLU . 60.5 m -62.35 -49.42 75.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.787 0.327 . . . . 10.0 110.412 178.863 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 41.9 mttt -65.52 -35.25 80.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.893 0.378 . . . . 10.0 110.33 179.114 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 217' ' ' LEU . . . . . 0.704 HD11 H251 ' A' ' 405' ' ' PCW . 58.9 mt -63.11 -40.92 99.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 10.0 109.916 178.534 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 78.3 mtt180 -67.89 -34.78 77.31 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.521 -0.309 . . . . 10.0 110.506 179.455 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 219' ' ' GLU . . . . . 0.479 ' HG3' ' O ' ' A' ' 215' ' ' SER . 55.3 mt-10 -66.52 -31.44 72.17 Favored 'General case' 0 C--O 1.225 -0.219 0 N-CA-C 108.969 -0.752 . . . . 10.0 108.969 178.589 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -82.28 -31.1 30.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.354 -0.839 . . . . 10.0 109.737 178.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 221' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 217' ' ' LEU . 38.9 mt -59.29 -33.73 71.44 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.426 179.607 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -53.87 -67.03 2.36 Favored Glycine 0 C--N 1.335 0.493 0 N-CA-C 110.717 -0.953 . . . . 10.0 110.717 177.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -56.44 -42.12 68.96 Favored 'Trans proline' 0 N--CA 1.464 -0.252 0 C-N-CA 122.475 2.117 . . . . 10.0 110.87 177.641 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 15.5 t -53.74 -51.42 44.04 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.145 0 CA-C-N 116.552 -0.295 . . . . 10.0 111.152 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 17.7 p -66.5 -37.4 84.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.737 0.303 . . . . 10.0 110.739 179.183 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -63.54 -52.88 59.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.413 -0.358 . . . . 10.0 110.75 179.267 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -60.53 -44.22 96.3 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.339 0.59 . . . . 10.0 109.9 179.57 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 228' ' ' PHE . . . . . 0.582 ' O ' ' HG ' ' A' ' 232' ' ' LEU . 3.6 t80 -63.17 -48.07 79.95 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.567 -0.742 . . . . 10.0 110.77 179.571 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -62.48 -39.35 93.17 Favored 'General case' 0 C--N 1.331 -0.219 0 O-C-N 123.435 0.46 . . . . 10.0 110.284 179.61 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -61.07 -45.65 93.9 Favored 'General case' 0 C--O 1.237 0.417 0 N-CA-C 109.141 -0.688 . . . . 10.0 109.141 178.41 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -64.26 -40.64 96.42 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.463 -0.79 . . . . 10.0 109.612 178.459 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 232' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' ' 228' ' ' PHE . 95.8 mt -61.78 -35.94 79.61 Favored 'General case' 0 N--CA 1.461 0.086 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.152 178.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 233' ' ' GLU . . . . . 0.519 ' O ' ' HB2' ' A' ' 237' ' ' GLU . 9.9 mm-40 -63.55 -37.89 89.04 Favored 'General case' 0 CA--C 1.52 -0.19 0 N-CA-C 109.765 -0.458 . . . . 10.0 109.765 178.397 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 68.6 mttt -73.49 -37.89 65.58 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.529 -0.545 . . . . 10.0 109.529 178.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.62 -46.83 83.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.521 -0.763 . . . . 10.0 109.871 179.544 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 21.4 p -72.18 -28.41 63.2 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.888 -0.596 . . . . 10.0 110.343 179.156 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 237' ' ' GLU . . . . . 0.519 ' HB2' ' O ' ' A' ' 233' ' ' GLU . 0.5 OUTLIER -62.86 -45.63 91.67 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 108.506 -0.924 . . . . 10.0 108.506 178.538 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -63.01 -41.77 99.82 Favored Glycine 0 N--CA 1.44 -1.05 0 N-CA-C 110.287 -1.125 . . . . 10.0 110.287 178.353 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 87.4 mt -64.52 -38.12 89.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.66 0.267 . . . . 10.0 110.479 179.6 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 18.8 mtm180 -65.69 -38.42 89.2 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 110.097 -0.335 . . . . 10.0 110.097 178.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -69.23 -39.95 78.22 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.227 -0.657 . . . . 10.0 109.227 178.517 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 242' ' ' GLU . . . . . 0.431 ' HA ' ' HD2' ' A' ' 245' ' ' LYS . 4.6 mt-10 -73.62 -18.76 61.01 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.685 -0.689 . . . . 10.0 111.001 179.562 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 243' ' ' MET . . . . . 0.555 ' HG3' HD12 ' A' ' 247' ' ' LEU . 42.6 ttm -62.59 -30.3 71.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.374 0.607 . . . . 10.0 109.476 178.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.41 4.55 20.52 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.513 -0.767 . . . . 10.0 110.335 179.121 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 245' ' ' LYS . . . . . 0.431 ' HD2' ' HA ' ' A' ' 242' ' ' GLU . 41.4 mttm -127.15 -63.87 1.03 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.343 -0.39 . . . . 10.0 110.179 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 246' ' ' ASP . . . . . 0.57 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 0.6 OUTLIER -51.47 -50.08 60.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.465 -0.789 . . . . 10.0 111.667 -179.377 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 247' ' ' LEU . . . . . 0.555 HD12 ' HG3' ' A' ' 243' ' ' MET . 94.6 mt -87.07 -37.0 17.83 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.428 0.529 . . . . 10.0 112.428 -179.495 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -65.88 -51.53 57.98 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.795 0.331 . . . . 10.0 111.472 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -68.64 -33.93 74.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.525 -0.307 . . . . 10.0 111.215 -179.646 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 250' ' ' VAL . . . . . 0.715 HG21 H271 ' A' ' 412' ' ' PCW . 1.1 p -64.25 -33.81 64.98 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.169 0 C-N-CA 120.394 -0.522 . . . . 10.0 110.192 179.273 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 251' ' ' LYS . . . . . 0.47 ' O ' HG12 ' A' ' 254' ' ' VAL . 84.2 mttt -82.3 -40.75 21.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.556 179.372 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -62.04 -37.55 85.35 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.761 -0.459 . . . . 10.0 109.761 179.101 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -89.08 -18.56 27.02 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.627 -0.715 . . . . 10.0 111.732 179.615 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 254' ' ' VAL . . . . . 0.703 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.4 OUTLIER -64.83 -27.54 42.7 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 C-N-CA 120.753 -0.379 . . . . 10.0 110.74 -179.594 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 255' ' ' GLN . . . . . 0.47 ' HB2' ' CD ' ' A' ' 256' ' ' PRO . 68.7 mt-30 -65.67 -62.02 5.0 Favored Pre-proline 0 CA--C 1.535 0.368 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.625 178.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 256' ' ' PRO . . . . . 0.47 ' CD ' ' HB2' ' A' ' 255' ' ' GLN . 18.8 Cg_endo -61.77 -34.71 82.4 Favored 'Trans proline' 0 C--N 1.356 0.958 0 C-N-CA 121.69 1.593 . . . . 10.0 111.528 178.458 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 6.2 m-30 -62.23 -51.27 68.44 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.928 0.394 . . . . 10.0 110.474 179.379 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 22.9 mt -69.3 -39.46 78.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.953 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 259' ' ' ASP . . . . . 0.561 ' O ' ' HB2' ' A' ' 263' ' ' LYS . 32.1 t70 -60.77 -45.42 94.4 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.346 -0.388 . . . . 10.0 110.528 179.615 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -66.85 -50.64 61.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.223 -0.444 . . . . 10.0 111.211 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -63.89 -48.04 78.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.291 -0.413 . . . . 10.0 112.104 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -64.0 -30.59 71.65 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.6 0.238 . . . . 10.0 110.444 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 263' ' ' LYS . . . . . 0.561 ' HB2' ' O ' ' A' ' 259' ' ' ASP . 23.1 ttmt -63.18 -47.72 81.41 Favored 'General case' 0 CA--C 1.52 -0.195 0 N-CA-C 109.048 -0.723 . . . . 10.0 109.048 178.447 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 264' ' ' LYS . . . . . 0.593 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 70.5 mttt -69.51 -39.17 77.74 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.182 -0.917 . . . . 10.0 110.395 178.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 20.7 m95 -64.17 -36.02 82.68 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.484 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -63.74 -43.65 95.84 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 108.741 -0.837 . . . . 10.0 108.741 177.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 267' ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' A' ' 263' ' ' LYS . 39.3 mt-10 -64.16 -39.35 93.82 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 109.079 -0.712 . . . . 10.0 109.079 178.317 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 268' ' ' GLU . . . . . 0.522 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 11.6 mt-10 -58.64 -45.45 89.24 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.936 -0.574 . . . . 10.0 109.499 178.776 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 92.3 mmm -68.44 -43.14 77.72 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.513 -0.767 . . . . 10.0 110.613 179.495 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -60.59 -53.52 56.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.297 -0.41 . . . . 10.0 110.155 179.183 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 32.7 mt -59.33 -38.92 81.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.339 -0.391 . . . . 10.0 110.417 179.384 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 272' ' ' TYR . . . . . 0.425 ' O ' HG23 ' A' ' 276' ' ' VAL . 0.1 OUTLIER -61.2 -50.65 72.28 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.128 178.894 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -66.58 -31.09 71.57 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.326 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 -67.79 -24.34 65.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.171 0.51 . . . . 10.0 109.954 178.678 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 275' ' ' LYS . . . . . 0.563 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 10.2 mptt -96.31 -38.8 9.94 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.564 -0.743 . . . . 10.0 110.322 178.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 276' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 272' ' ' TYR . 13.9 t -48.71 -49.21 14.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 N-CA-C 112.685 0.624 . . . . 10.0 112.685 -179.262 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 69.0 mt-10 -58.52 -60.71 9.45 Favored Pre-proline 0 CA--C 1.537 0.468 0 N-CA-C 113.427 0.899 . . . . 10.0 113.427 -179.096 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -63.37 -39.91 34.64 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 121.893 1.729 . . . . 10.0 112.466 179.01 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 279' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 275' ' ' LYS . 37.7 mt -65.4 -41.22 93.86 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 121.209 -0.196 . . . . 10.0 110.961 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 -64.85 -32.16 73.72 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.35 -0.611 . . . . 10.0 109.35 178.637 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -65.45 -44.07 88.41 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.298 -0.63 . . . . 10.0 109.298 178.477 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -63.18 -46.21 88.17 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 115.59 -0.732 . . . . 10.0 109.235 178.501 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 283' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 279' ' ' LEU . 81.1 mt -66.02 -31.57 72.53 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.665 179.482 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -67.07 -48.66 67.56 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 109.2 -0.667 . . . . 10.0 109.2 179.117 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -67.12 -40.04 86.75 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.406 -0.59 . . . . 10.0 109.406 178.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -61.33 -46.05 95.22 Favored Glycine 0 N--CA 1.443 -0.887 0 N-CA-C 110.577 -1.009 . . . . 10.0 110.577 178.338 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -64.04 -38.76 92.23 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.845 -0.428 . . . . 10.0 109.845 178.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -58.26 -55.54 33.62 Favored 'General case' 0 C--O 1.223 -0.327 0 N-CA-C 109.447 -0.575 . . . . 10.0 109.447 178.721 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -60.95 -48.13 83.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.774 -0.648 . . . . 10.0 111.583 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 50.5 mttp -59.48 -42.39 91.99 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.646 0.26 . . . . 10.0 111.622 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 81.0 mt -74.99 -36.4 62.0 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.447 -0.342 . . . . 10.0 110.71 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 292' ' ' HIS . . . . . 0.572 ' O ' ' HG2' ' A' ' 296' ' ' GLU . 13.3 m170 -62.93 -46.64 86.84 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 109.387 -0.597 . . . . 10.0 109.387 178.718 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.81 -38.5 82.14 Favored 'General case' 0 N--CA 1.456 -0.165 0 O-C-N 123.739 0.649 . . . . 10.0 109.748 178.397 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 19.7 mt -65.44 -46.9 78.06 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 115.912 -0.586 . . . . 10.0 109.933 178.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 295' ' ' GLN . . . . . 0.491 ' HA ' ' HB2' ' A' ' 298' ' ' LEU . 40.6 mt-30 -64.23 -30.63 71.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.162 -0.472 . . . . 10.0 111.244 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 296' ' ' GLU . . . . . 0.572 ' HG2' ' O ' ' A' ' 292' ' ' HIS . 34.9 mm-40 -63.38 -19.41 64.63 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.059 -0.518 . . . . 10.0 110.069 178.36 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 297' ' ' LYS . . . . . 0.57 ' HB3' HD12 ' A' ' 301' ' ' LEU . 32.8 mmtp -107.08 -38.19 6.09 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.638 -0.71 . . . . 10.0 110.191 178.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 298' ' ' LEU . . . . . 0.491 ' HB2' ' HA ' ' A' ' 295' ' ' GLN . 72.5 mt -55.52 -27.03 46.33 Favored 'General case' 0 N--CA 1.462 0.161 0 C-N-CA 122.537 0.335 . . . . 10.0 111.851 -179.69 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 299' ' ' SER . . . . . 0.474 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 5.0 m -79.31 -64.86 0.32 Allowed Pre-proline 0 CA--C 1.54 0.594 0 N-CA-C 111.887 0.328 . . . . 10.0 111.887 179.344 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 300' ' ' PRO . . . . . 0.474 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 34.2 Cg_endo -63.57 -43.82 16.05 Favored 'Trans proline' 0 C--N 1.355 0.904 0 C-N-CA 122.164 1.909 . . . . 10.0 112.183 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 301' ' ' LEU . . . . . 0.92 ' HB3' ' HE3' ' D' ' 473' ' ' LYS . 80.8 mt -71.99 -27.69 62.92 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.76 -0.459 . . . . 10.0 109.76 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 302' ' ' GLY . . . . . 0.442 ' O ' ' HG3' ' A' ' 306' ' ' ARG . . . -69.68 -52.88 18.34 Favored Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 111.087 -0.805 . . . . 10.0 111.087 179.265 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -61.97 -39.14 91.13 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 109.33 -0.618 . . . . 10.0 109.33 179.01 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -63.73 -39.18 93.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.52 -0.764 . . . . 10.0 109.781 178.462 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 8.2 tpt -65.68 -39.19 91.05 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.816 -0.438 . . . . 10.0 109.816 179.45 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 306' ' ' ARG . . . . . 0.454 ' O ' ' HG3' ' A' ' 310' ' ' ARG . 45.3 mtt180 -68.26 -43.14 78.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.881 -0.599 . . . . 10.0 109.643 179.027 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 307' ' ' ASP . . . . . 0.469 ' O ' ' HB2' ' A' ' 310' ' ' ARG . 21.9 t70 -64.68 -43.25 94.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.801 -0.636 . . . . 10.0 110.417 179.172 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 308' ' ' ARG . . . . . 0.658 ' HG3' HD21 ' D' ' 469' ' ' LEU . 7.6 mmt180 -65.2 -35.09 79.98 Favored 'General case' 0 CA--C 1.517 -0.307 0 N-CA-C 109.423 -0.584 . . . . 10.0 109.423 178.544 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 309' ' ' ALA . . . . . 0.576 ' HA ' ' HB2' ' A' ' 312' ' ' HIS . . . -68.24 -31.82 71.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.743 -0.662 . . . . 10.0 109.447 178.15 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 310' ' ' ARG . . . . . 0.524 ' O ' ' HB2' ' A' ' 314' ' ' ASP . 71.7 mtt180 -60.47 -51.48 69.29 Favored 'General case' 0 C--O 1.224 -0.27 0 N-CA-C 108.792 -0.818 . . . . 10.0 108.792 178.371 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -67.25 -34.25 77.05 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.065 -0.516 . . . . 10.0 109.93 179.137 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 312' ' ' HIS . . . . . 0.576 ' HB2' ' HA ' ' A' ' 309' ' ' ALA . 0.1 OUTLIER -58.69 -53.09 62.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.408 -0.815 . . . . 10.0 110.07 178.894 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 26.3 t -76.64 -35.25 25.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.72 -0.673 . . . . 10.0 111.852 -179.568 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 314' ' ' ASP . . . . . 0.524 ' HB2' ' O ' ' A' ' 310' ' ' ARG . 0.4 OUTLIER -61.1 -43.13 99.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.931 0.396 . . . . 10.0 110.002 179.257 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -66.77 -35.53 80.3 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 109.194 -0.669 . . . . 10.0 109.194 178.361 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 316' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 316' ' ' LEU . 17.2 mt -65.3 -47.11 77.74 Favored 'General case' 0 C--O 1.224 -0.248 0 CA-C-N 115.625 -0.716 . . . . 10.0 109.742 178.492 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 12.2 mtm105 -61.37 -41.6 97.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.126 0.488 . . . . 10.0 110.147 178.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 93.7 m -60.85 -32.64 72.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.628 -0.715 . . . . 10.0 110.6 179.173 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 12.2 m80 -87.31 -38.12 16.54 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.275 -0.42 . . . . 10.0 111.024 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 72.9 mt -67.14 -34.52 77.75 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.291 0.478 . . . . 10.0 112.291 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 321' ' ' ALA . . . . . 0.432 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -52.64 -59.24 9.2 Favored Pre-proline 0 CA--C 1.537 0.451 0 N-CA-C 112.466 0.543 . . . . 10.0 112.466 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 322' ' ' PRO . . . . . 0.432 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 44.2 Cg_endo -70.73 -36.36 8.34 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 121.495 1.463 . . . . 10.0 111.422 179.016 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 323' ' ' TYR . . . . . 0.533 ' OH ' ' HB2' ' D' ' 454' ' ' PRO . 11.0 m-30 -60.15 -45.37 93.3 Favored 'General case' 0 C--N 1.334 -0.086 0 CA-C-N 116.455 -0.339 . . . . 10.0 111.703 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 23.2 p -65.18 -36.01 82.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.785 0.326 . . . . 10.0 110.5 179.543 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 325' ' ' ASP . . . . . 0.71 ' HA ' ' HD2' ' A' ' 328' ' ' ARG . 0.4 OUTLIER -67.91 -43.41 79.3 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-O 121.02 0.438 . . . . 10.0 110.204 179.168 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -67.41 -31.77 72.21 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.349 -0.612 . . . . 10.0 109.349 178.061 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 12.3 mt -66.3 -35.56 80.71 Favored 'General case' 0 CA--C 1.519 -0.236 0 N-CA-C 109.116 -0.698 . . . . 10.0 109.116 177.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 328' ' ' ARG . . . . . 0.71 ' HD2' ' HA ' ' A' ' 325' ' ' ASP . 86.3 mtt180 -62.89 -40.37 97.32 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.688 -0.856 . . . . 10.0 108.688 178.311 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -67.09 -39.36 86.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.471 -0.786 . . . . 10.0 109.381 178.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 330' ' ' ARG . . . . . 0.548 HH21 ' HB3' ' D' ' 447' ' ' GLU . 46.0 mtt-85 -62.38 -54.33 41.92 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 115.815 -0.63 . . . . 10.0 110.016 179.082 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 86.1 mt -60.56 -35.75 76.82 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.651 -0.704 . . . . 10.0 111.292 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -63.59 -51.46 65.2 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.017 179.057 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -60.91 -42.18 97.57 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.274 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 27.1 mmt180 -61.03 -49.64 76.59 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-N 115.753 -0.658 . . . . 10.0 109.86 178.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 16.4 mt -59.37 -43.51 92.86 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 116.27 -0.423 . . . . 10.0 111.433 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -63.79 -43.55 95.98 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.472 -0.331 . . . . 10.0 111.047 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -65.51 -42.75 91.72 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.555 -0.535 . . . . 10.0 109.555 178.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 80.0 mt -65.36 -26.19 67.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.425 -0.807 . . . . 10.0 110.786 179.253 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 71.3 mttt -82.2 -49.53 10.02 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.847 -0.161 . . . . 10.0 110.86 179.335 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -59.56 -51.57 69.28 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.159 0.504 . . . . 10.0 110.072 179.694 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -73.23 -31.3 64.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.795 -0.639 . . . . 10.0 109.8 179.234 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -62.67 -44.64 97.22 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 121.088 -0.577 . . . . 10.0 111.903 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -62.95 -39.23 97.8 Favored Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 110.483 -1.047 . . . . 10.0 110.483 178.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -65.11 -41.77 94.59 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.705 -0.48 . . . . 10.0 109.705 178.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 345' ' ' ARG . . . . . 0.449 HH11 ' HD3' ' A' ' 345' ' ' ARG . 23.3 mtm180 -65.52 -45.32 83.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.568 -0.742 . . . . 10.0 110.754 179.226 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 346' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 346' ' ' LEU . 22.0 mt -59.66 -49.59 77.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.416 -0.356 . . . . 10.0 110.615 179.376 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.88 -41.44 87.13 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.303 179.237 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -65.48 -45.01 85.31 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.563 179.374 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -66.25 -37.17 84.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.344 -0.389 . . . . 10.0 111.046 179.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 32.0 m-70 -63.86 -41.01 97.88 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.201 -0.666 . . . . 10.0 109.201 178.22 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -67.94 -44.97 75.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.861 -0.609 . . . . 10.0 109.605 178.679 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 12.8 mtmm -60.52 -40.41 91.32 Favored 'General case' 0 C--O 1.226 -0.182 0 CA-C-N 116.049 -0.523 . . . . 10.0 110.172 179.004 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -62.68 -34.34 76.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.214 -0.448 . . . . 10.0 109.957 178.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 12.8 m -68.31 -37.59 80.74 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.032 -0.729 . . . . 10.0 109.032 178.576 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -68.94 -34.61 75.64 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.404 -0.591 . . . . 10.0 109.404 178.158 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -73.08 -29.58 63.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.646 -0.706 . . . . 10.0 109.549 178.371 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 17.9 mt -71.27 -41.99 69.33 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.924 -0.58 . . . . 10.0 111.358 179.303 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.49 -45.48 92.84 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.005 0.431 . . . . 10.0 110.043 179.605 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 1.9 p -71.26 -29.96 65.72 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.065 179.316 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 38.7 tp -68.62 -35.01 76.74 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 108.887 -0.783 . . . . 10.0 108.887 177.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 49.5 m -63.03 -32.0 73.27 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.807 -0.633 . . . . 10.0 109.775 178.748 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 362' ' ' GLU . . . . . 0.442 ' HA ' ' HD2' ' A' ' 366' ' ' PRO . 5.3 mm-40 -70.63 -20.55 62.72 Favored 'General case' 0 CA--C 1.522 -0.1 0 CA-C-N 115.96 -0.563 . . . . 10.0 109.681 178.699 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 363' ' ' LYS . . . . . 0.692 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 89.3 mttt -91.68 -46.94 7.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.719 -0.673 . . . . 10.0 109.6 179.196 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 364' ' ' ALA . . . . . 0.516 ' HA ' HD12 ' A' ' 368' ' ' LEU . . . -67.19 -31.11 71.29 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.681 -0.69 . . . . 10.0 112.388 -179.54 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 365' ' ' LYS . . . . . 0.803 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 51.0 mtmt -102.66 -79.2 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.509 0 N-CA-C 113.867 1.062 . . . . 10.0 113.867 -179.687 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 366' ' ' PRO . . . . . 0.803 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 32.2 Cg_exo -59.15 -53.27 3.76 Favored 'Trans proline' 0 C--N 1.356 0.923 0 C-N-CA 122.101 1.867 . . . . 10.0 114.052 -178.667 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 367' ' ' ALA . . . . . 0.692 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -58.87 -53.52 57.48 Favored 'General case' 0 C--N 1.333 -0.135 0 N-CA-C 111.541 0.2 . . . . 10.0 111.541 -179.433 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 368' ' ' LEU . . . . . 0.516 HD12 ' HA ' ' A' ' 364' ' ' ALA . 10.6 mt -60.63 -37.36 81.22 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-N 116.703 -0.226 . . . . 10.0 111.035 179.624 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.8 -53.18 60.98 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.826 -0.435 . . . . 10.0 109.826 178.657 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -59.78 -40.35 87.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.732 -0.667 . . . . 10.0 110.334 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 96.1 mt -66.46 -41.36 89.17 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.784 -0.644 . . . . 10.0 110.765 179.194 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 372' ' ' ARG . . . . . 0.45 ' O ' ' HG ' ' A' ' 376' ' ' LEU . 89.4 mtt180 -66.82 -44.59 80.78 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.834 -0.432 . . . . 10.0 109.834 179.279 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -63.92 -29.32 70.51 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.58 -0.737 . . . . 10.0 110.129 179.234 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 374' ' ' GLY . . . . . 0.401 ' O ' HG23 ' A' ' 378' ' ' VAL . . . -83.15 -28.78 35.89 Favored Glycine 0 N--CA 1.449 -0.461 0 N-CA-C 110.981 -0.848 . . . . 10.0 110.981 178.59 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 9.3 mt -73.45 -28.3 61.88 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 122.24 0.216 . . . . 10.0 111.009 179.593 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 376' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 372' ' ' ARG . 71.6 mt -53.61 -59.78 8.72 Favored Pre-proline 0 CA--C 1.534 0.356 0 CA-C-N 116.158 -0.474 . . . . 10.0 111.148 179.429 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 377' ' ' PRO . . . . . 0.415 ' HD3' ' HB2' ' A' ' 376' ' ' LEU . 29.3 Cg_endo -65.34 -26.79 55.73 Favored 'Trans proline' 0 C--N 1.355 0.87 0 C-N-CA 121.774 1.649 . . . . 10.0 111.059 178.48 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 378' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 374' ' ' GLY . 18.7 t -62.86 -51.22 74.65 Favored 'Isoleucine or valine' 0 C--O 1.231 0.125 0 N-CA-C 108.828 -0.805 . . . . 10.0 108.828 178.456 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 379' ' ' LEU . . . . . 0.411 ' O ' ' HG3' ' A' ' 383' ' ' LYS . 91.3 mt -61.83 -36.51 81.37 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.256 -0.646 . . . . 10.0 109.256 178.641 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 380' ' ' GLU . . . . . 0.43 ' O ' HG23 ' A' ' 384' ' ' VAL . 6.9 mm-40 -62.28 -49.5 75.41 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.493 178.793 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 7.6 p -65.26 -33.58 76.32 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 120.914 0.387 . . . . 10.0 110.702 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -70.82 -38.84 73.29 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.98 -0.555 . . . . 10.0 111.037 179.613 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 383' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' A' ' 379' ' ' LEU . 93.4 mttt -58.28 -45.47 87.85 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 109.749 -0.463 . . . . 10.0 109.749 178.839 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 384' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 380' ' ' GLU . 43.0 t -56.58 -48.24 80.78 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.575 179.394 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 1.6 p -65.04 -35.25 80.56 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.312 -0.404 . . . . 10.0 111.928 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -69.63 -40.41 76.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.696 0.284 . . . . 10.0 110.746 179.556 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 53.2 mt -61.16 -46.66 89.6 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.84 179.525 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 388' ' ' SER . . . . . 0.524 ' HB2' ' HE2' ' D' ' 594' ' ' LYS . 2.0 p -69.16 -36.11 77.03 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 120.838 0.351 . . . . 10.0 110.836 179.475 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -58.94 -48.7 80.57 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.688 179.56 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 97.4 mt -61.09 -36.16 78.94 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.454 179.453 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -68.79 -45.24 71.81 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.956 -0.566 . . . . 10.0 110.134 179.483 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 392' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' A' ' 388' ' ' SER . 69.2 mm-40 -56.98 -39.89 75.48 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.077 0.465 . . . . 10.0 110.358 179.024 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -64.82 -47.86 76.47 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.833 -0.621 . . . . 10.0 110.586 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 10.0 m -68.49 -26.44 65.47 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 112.205 0.446 . . . . 10.0 112.205 -179.221 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -81.16 -30.92 34.32 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.076 0.399 . . . . 10.0 112.076 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 396' ' ' LYS . . . . . 0.535 ' HE2' ' HA ' ' D' ' 587' ' ' ALA . 12.4 mptt -99.6 -47.4 5.11 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 113.414 0.894 . . . . 10.0 113.414 -178.582 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 69.7 mt -83.38 -6.48 59.48 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.349 0.5 . . . . 10.0 112.349 -178.577 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 54.7 t30 . . . . . 0 C--N 1.325 -0.498 0 CA-C-O 120.594 0.235 . . . . 10.0 110.872 -179.949 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 3.0 mm? . . . . . 0 N--CA 1.462 0.147 0 CA-C-O 120.897 0.38 . . . . 10.0 110.408 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.91 18.2 22.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.562 -179.609 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 91.6 mt -66.52 -23.52 66.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.856 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 58.7 mt -64.33 -42.15 96.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.035 -0.529 . . . . 10.0 109.681 179.248 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -67.8 -36.55 80.62 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.522 -0.763 . . . . 10.0 109.686 179.443 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 404' ' ' ASN . . . . . 0.478 ' O ' HG23 ' D' ' 408' ' ' VAL . 13.4 t-20 -64.66 -45.41 86.88 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.872 -0.788 . . . . 10.0 108.872 178.643 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -64.09 -36.57 84.45 Favored 'General case' 0 N--CA 1.456 -0.135 0 CA-C-N 115.414 -0.812 . . . . 10.0 110.542 179.587 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -63.11 -44.1 96.59 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.069 0.461 . . . . 10.0 109.85 178.539 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 40.1 m -61.76 -34.83 76.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.741 -0.663 . . . . 10.0 110.317 178.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 408' ' ' VAL . . . . . 0.478 HG23 ' O ' ' D' ' 404' ' ' ASN . 93.2 t -72.34 -42.61 65.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.263 0.554 . . . . 10.0 109.799 178.686 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 41.5 m -63.44 -39.64 95.01 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.892 -0.595 . . . . 10.0 110.016 179.292 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 50.7 m -63.74 -43.97 94.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.597 178.735 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 411' ' ' THR . . . . . 0.483 ' O ' ' HG ' ' D' ' 415' ' ' LEU . 1.0 OUTLIER -68.33 -32.83 73.23 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.814 0.34 . . . . 10.0 110.544 179.363 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 5.2 m-30 -66.68 -38.2 86.3 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.045 -0.724 . . . . 10.0 109.045 178.093 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 22.4 m -68.16 -37.17 80.73 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 108.799 -0.815 . . . . 10.0 108.799 178.091 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 414' ' ' LYS . . . . . 0.601 ' HA ' ' HG3' ' D' ' 417' ' ' GLU . 38.4 mmtt -66.99 -27.21 67.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.028 178.335 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 415' ' ' LEU . . . . . 0.523 ' O ' ' HG ' ' D' ' 419' ' ' LEU . 68.7 mt -68.91 -38.22 79.43 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 108.513 -0.921 . . . . 10.0 108.513 177.666 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 71.5 mtt180 -66.31 -32.97 74.69 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.416 -0.811 . . . . 10.0 109.824 178.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 417' ' ' GLU . . . . . 0.601 ' HG3' ' HA ' ' D' ' 414' ' ' LYS . 1.5 mm-40 -62.49 -26.42 68.53 Favored 'General case' 0 C--O 1.226 -0.157 0 CA-C-N 115.606 -0.724 . . . . 10.0 109.354 178.483 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 418' ' ' GLN . . . . . 0.401 ' NE2' ' HA ' ' D' ' 415' ' ' LEU . 34.6 mt-30 -90.78 -50.7 5.75 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.565 -0.743 . . . . 10.0 109.106 178.516 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 419' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' D' ' 415' ' ' LEU . 95.9 mt -46.14 -43.86 15.31 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.603 -0.726 . . . . 10.0 112.212 -179.613 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -57.11 -76.76 0.19 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 121.093 -0.575 . . . . 10.0 112.458 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -54.76 -43.09 62.5 Favored 'Trans proline' 0 C--O 1.234 0.291 0 C-N-CA 123.191 2.594 . . . . 10.0 113.135 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 46.6 t -56.23 -50.67 69.87 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.369 0 N-CA-C 111.995 0.368 . . . . 10.0 111.995 -179.224 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 39.5 p -65.58 -35.54 81.14 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.697 -0.401 . . . . 10.0 111.118 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -57.06 -49.54 75.53 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.033 -0.531 . . . . 10.0 110.434 179.551 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -81.55 -25.2 36.05 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.916 -0.584 . . . . 10.0 111.139 179.521 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 426' ' ' PHE . . . . . 0.561 ' O ' ' HG ' ' D' ' 430' ' ' LEU . 47.8 t80 -65.18 -42.78 93.3 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.831 -0.433 . . . . 10.0 109.831 179.042 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 427' ' ' TRP . . . . . 0.443 ' O ' ' HG3' ' D' ' 431' ' ' GLU . 10.3 m95 -66.94 -36.04 81.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.966 -0.561 . . . . 10.0 109.534 178.759 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -67.94 -37.42 81.61 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.515 -0.92 . . . . 10.0 108.515 178.137 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 429' ' ' ASN . . . . . 0.407 ' OD1' ' HG2' ' A' ' 345' ' ' ARG . 4.5 t30 -65.08 -43.96 90.44 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 115.292 -0.867 . . . . 10.0 108.665 177.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 430' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' D' ' 426' ' ' PHE . 96.8 mt -59.09 -36.33 74.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.274 -0.875 . . . . 10.0 110.136 179.169 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 431' ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' D' ' 427' ' ' TRP . 19.6 mt-10 -66.1 -42.36 89.39 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.219 178.749 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 36.7 mttp -63.69 -40.95 98.06 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 108.957 -0.757 . . . . 10.0 108.957 178.366 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -65.0 -46.93 79.35 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.493 -0.776 . . . . 10.0 110.361 178.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 1.7 p -65.72 -47.07 76.59 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-N 116.692 -0.231 . . . . 10.0 111.448 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -61.37 -42.19 98.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.683 0.278 . . . . 10.0 110.326 178.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -63.95 -49.32 68.41 Favored Glycine 0 N--CA 1.446 -0.64 0 N-CA-C 110.314 -1.114 . . . . 10.0 110.314 178.304 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 11.4 mt -60.27 -34.76 74.17 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-O 120.514 0.197 . . . . 10.0 110.791 178.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 71.2 mtt180 -66.25 -36.77 83.87 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.689 -0.485 . . . . 10.0 109.689 178.549 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -70.93 -34.1 71.16 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.275 0.56 . . . . 10.0 109.628 178.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 440' ' ' GLU . . . . . 0.426 ' O ' ' HB2' ' D' ' 444' ' ' ASP . 52.4 mt-10 -73.82 -47.86 35.48 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.504 -0.771 . . . . 10.0 109.965 178.622 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 96.8 mmm -72.07 -24.79 61.57 Favored 'General case' 0 C--O 1.225 -0.209 0 N-CA-C 113.453 0.909 . . . . 10.0 113.453 -178.533 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 2.8 p -64.08 -56.72 12.94 Favored 'General case' 0 CA--C 1.512 -0.489 0 C-N-CA 120.168 -0.613 . . . . 10.0 109.727 179.403 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 443' ' ' LYS . . . . . 0.419 ' HE3' ' HB3' ' D' ' 443' ' ' LYS . 22.4 mtpp -62.89 -35.02 78.66 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.479 -0.563 . . . . 10.0 109.479 178.68 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 444' ' ' ASP . . . . . 0.426 ' HB2' ' O ' ' D' ' 440' ' ' GLU . 2.5 t0 -63.08 -54.41 38.48 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.481 -0.781 . . . . 10.0 110.729 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 89.6 mt -67.87 -42.92 80.56 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.336 -0.393 . . . . 10.0 111.922 -179.385 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -61.7 -49.63 75.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.77 0.319 . . . . 10.0 110.737 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 447' ' ' GLU . . . . . 0.548 ' HB3' HH21 ' A' ' 330' ' ' ARG . 8.5 tt0 -70.71 -23.49 62.47 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 116.366 -0.379 . . . . 10.0 110.214 179.142 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 1.2 t -64.2 -34.81 71.32 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.146 0 N-CA-C 109.125 -0.694 . . . . 10.0 109.125 178.549 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -66.31 -33.56 76.01 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 108.797 -0.816 . . . . 10.0 108.797 178.373 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -86.13 -0.96 56.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.057 -0.974 . . . . 10.0 110.619 179.06 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 451' ' ' LYS . . . . . 0.463 ' HD2' H261 ' D' ' 601' ' ' PCW . 33.2 mmtm -105.65 -52.74 2.77 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.065 -0.516 . . . . 10.0 109.899 179.246 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 90.8 t -58.25 -42.86 84.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.183 -0.462 . . . . 10.0 111.965 -179.052 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 453' ' ' GLN . . . . . 0.542 ' HB2' ' HD3' ' D' ' 454' ' ' PRO . 33.9 mt-30 -56.69 -62.19 5.47 Favored Pre-proline 0 C--N 1.327 -0.389 0 N-CA-C 112.737 0.643 . . . . 10.0 112.737 -179.713 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 454' ' ' PRO . . . . . 0.542 ' HD3' ' HB2' ' D' ' 453' ' ' GLN . 23.9 Cg_exo -66.01 -32.47 44.22 Favored 'Trans proline' 0 C--N 1.353 0.79 0 C-N-CA 122.028 1.819 . . . . 10.0 111.95 179.282 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 455' ' ' TYR . . . . . 0.46 ' O ' ' HB2' ' D' ' 459' ' ' PHE . 51.1 t80 -63.3 -47.71 81.16 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 110.156 -0.313 . . . . 10.0 110.156 178.691 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 23.6 mt -71.11 -31.66 68.04 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 116.396 -0.365 . . . . 10.0 110.304 179.38 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -64.72 -48.73 73.55 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.124 -0.695 . . . . 10.0 109.124 178.656 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -68.39 -34.6 76.32 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.688 -0.687 . . . . 10.0 109.873 179.145 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 459' ' ' PHE . . . . . 0.46 ' HB2' ' O ' ' D' ' 455' ' ' TYR . 0.2 OUTLIER -67.14 -41.61 85.78 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.618 -0.719 . . . . 10.0 109.43 178.755 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -62.23 -41.31 98.29 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 115.835 -0.62 . . . . 10.0 109.727 178.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 67.3 mttt -61.22 -41.99 97.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.939 -0.573 . . . . 10.0 109.59 178.495 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 462' ' ' LYS . . . . . 0.691 ' HD2' ' C28' ' D' ' 602' ' ' PCW . 3.8 mtmm -68.68 -35.61 77.43 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.829 178.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 30.9 m0 -64.95 -43.06 93.96 Favored 'General case' 0 CA--C 1.52 -0.197 0 N-CA-C 108.642 -0.873 . . . . 10.0 108.642 177.679 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -62.42 -43.57 98.51 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 115.595 -0.73 . . . . 10.0 109.405 178.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 465' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -56.65 -48.94 76.45 Favored 'General case' 0 CA--C 1.521 -0.172 0 N-CA-C 108.915 -0.772 . . . . 10.0 108.915 178.099 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.25 -40.54 96.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.765 -0.652 . . . . 10.0 110.718 179.274 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 61.1 mtt -62.53 -47.43 83.94 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 109.779 -0.452 . . . . 10.0 109.779 179.253 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 468' ' ' GLU . . . . . 0.453 ' O ' ' HG3' ' D' ' 472' ' ' GLN . 50.9 mt-10 -64.8 -43.08 94.33 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.707 -0.679 . . . . 10.0 109.803 178.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 469' ' ' LEU . . . . . 0.658 HD21 ' HG3' ' A' ' 308' ' ' ARG . 30.5 mt -61.65 -42.66 99.21 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.492 179.343 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 -63.79 -29.14 70.38 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.387 -0.37 . . . . 10.0 111.259 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 471' ' ' ARG . . . . . 0.845 ' HA ' ' HG3' ' D' ' 475' ' ' GLU . 64.1 mtt85 -77.23 -20.81 54.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.218 0.533 . . . . 10.0 110.169 178.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 472' ' ' GLN . . . . . 0.453 ' HG3' ' O ' ' D' ' 468' ' ' GLU . 58.0 mt-30 -105.04 0.88 28.03 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.416 0.627 . . . . 10.0 109.767 179.27 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 473' ' ' LYS . . . . . 0.92 ' HE3' ' HB3' ' A' ' 301' ' ' LEU . 4.5 mptt -121.31 -80.7 0.63 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.239 -0.891 . . . . 10.0 110.105 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 8.5 t -53.42 -44.48 55.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.909 -0.587 . . . . 10.0 112.552 -178.639 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 475' ' ' GLU . . . . . 0.845 ' HG3' ' HA ' ' D' ' 471' ' ' ARG . 4.5 mt-10 -59.81 -59.2 14.6 Favored Pre-proline 0 CA--C 1.535 0.398 0 N-CA-C 112.246 0.462 . . . . 10.0 112.246 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 476' ' ' PRO . . . . . 0.731 ' HD3' ' HB2' ' D' ' 475' ' ' GLU . 31.9 Cg_exo -63.66 -38.29 41.55 Favored 'Trans proline' 0 C--N 1.355 0.902 0 C-N-CA 121.98 1.787 . . . . 10.0 111.348 178.29 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 45.6 mt -64.06 -34.3 77.7 Favored 'General case' 0 C--O 1.22 -0.489 0 N-CA-C 109.624 -0.51 . . . . 10.0 109.624 178.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 478' ' ' ARG . . . . . 0.573 ' O ' ' HB2' ' D' ' 482' ' ' GLN . 2.2 mtt-85 -59.23 -35.64 74.03 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.062 -0.718 . . . . 10.0 109.062 178.528 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -73.55 -47.57 39.76 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.742 -0.663 . . . . 10.0 109.969 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.44 -40.63 97.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.365 -0.379 . . . . 10.0 110.689 179.306 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 90.9 mt -69.61 -33.8 73.19 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.504 -0.554 . . . . 10.0 109.504 178.571 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 482' ' ' GLN . . . . . 0.573 ' HB2' ' O ' ' D' ' 478' ' ' ARG . 3.3 tp60 -66.6 -41.96 87.63 Favored 'General case' 0 CA--C 1.52 -0.204 0 N-CA-C 108.348 -0.982 . . . . 10.0 108.348 178.266 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -64.34 -43.62 94.05 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.342 -0.984 . . . . 10.0 108.342 178.211 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -63.16 -36.69 93.78 Favored Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 115.29 -0.868 . . . . 10.0 111.119 178.343 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -67.9 -39.74 83.57 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 109.673 -0.491 . . . . 10.0 109.673 178.586 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 74.0 mtt180 -64.96 -39.98 94.31 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.188 -0.671 . . . . 10.0 109.188 178.478 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -64.49 -48.71 74.17 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 108.79 -0.818 . . . . 10.0 108.79 178.079 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 488' ' ' LYS . . . . . 0.426 ' O ' ' HG ' ' D' ' 492' ' ' LEU . 85.7 tttt -59.39 -44.05 92.84 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.455 -0.793 . . . . 10.0 110.06 178.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 15.7 mt -61.78 -43.12 99.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.453 . . . . 10.0 109.802 178.708 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 490' ' ' HIS . . . . . 0.496 ' O ' ' HG3' ' D' ' 494' ' ' GLU . 6.5 t-160 -63.19 -47.99 80.24 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.862 -0.792 . . . . 10.0 108.862 179.021 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -55.1 -45.13 75.44 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.69 -0.686 . . . . 10.0 110.076 178.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 492' ' ' LEU . . . . . 0.56 ' O ' ' HG ' ' D' ' 496' ' ' LEU . 83.9 mt -68.03 -50.32 56.11 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.945 -0.57 . . . . 10.0 111.345 179.703 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -56.04 -40.49 73.58 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 112.409 0.522 . . . . 10.0 112.409 -179.52 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 494' ' ' GLU . . . . . 0.496 ' HG3' ' O ' ' D' ' 490' ' ' HIS . 46.5 mt-10 -68.24 -8.91 43.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.91 0.386 . . . . 10.0 111.442 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 495' ' ' LYS . . . . . 0.505 ' O ' ' HB2' ' D' ' 499' ' ' LEU . 25.7 mttp -112.4 -25.91 8.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.082 0.468 . . . . 10.0 110.001 178.491 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 496' ' ' LEU . . . . . 0.56 ' HG ' ' O ' ' D' ' 492' ' ' LEU . 95.8 mt -70.12 -35.33 74.02 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.222 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 497' ' ' SER . . . . . 0.518 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 16.0 m -69.48 -59.63 4.68 Favored Pre-proline 0 CA--C 1.541 0.625 0 N-CA-C 112.163 0.431 . . . . 10.0 112.163 179.731 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 498' ' ' PRO . . . . . 0.518 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 40.4 Cg_endo -69.28 -60.17 0.08 OUTLIER 'Trans proline' 0 C--N 1.353 0.79 0 C-N-CA 121.814 1.676 . . . . 10.0 112.91 -179.69 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 499' ' ' LEU . . . . . 0.505 ' HB2' ' O ' ' D' ' 495' ' ' LYS . 56.4 mt -65.02 -34.9 79.55 Favored 'General case' 0 C--O 1.223 -0.296 0 N-CA-C 112.344 0.498 . . . . 10.0 112.344 -178.537 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -61.95 -44.44 97.81 Favored Glycine 0 N--CA 1.45 -0.371 0 N-CA-C 110.582 -1.007 . . . . 10.0 110.582 179.022 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -73.75 -34.79 64.89 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 109.513 -0.551 . . . . 10.0 109.513 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 502' ' ' GLU . . . . . 0.443 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 5.3 tt0 -63.79 -43.93 94.86 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.381 -0.6 . . . . 10.0 109.381 178.782 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 503' ' ' MET . . . . . 0.767 ' HA ' ' HD2' ' D' ' 506' ' ' ARG . 86.4 mmm -62.14 -36.25 81.23 Favored 'General case' 0 CA--C 1.516 -0.363 0 N-CA-C 108.975 -0.75 . . . . 10.0 108.975 178.457 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 504' ' ' ARG . . . . . 0.428 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 90.1 mtt180 -64.21 -45.91 86.2 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 108.818 -0.808 . . . . 10.0 108.818 177.495 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 505' ' ' ASP . . . . . 0.658 ' HA ' ' HD2' ' D' ' 508' ' ' ARG . 2.0 m-20 -60.38 -39.21 86.45 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.13 0.491 . . . . 10.0 109.819 178.522 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 506' ' ' ARG . . . . . 0.767 ' HD2' ' HA ' ' D' ' 503' ' ' MET . 46.9 mtt180 -62.38 -50.06 73.06 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 108.387 -0.968 . . . . 10.0 108.387 178.047 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -58.46 -41.93 86.3 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.113 -0.949 . . . . 10.0 110.44 179.136 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 508' ' ' ARG . . . . . 0.658 ' HD2' ' HA ' ' D' ' 505' ' ' ASP . 80.1 mtt180 -60.18 -44.48 95.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.119 -0.492 . . . . 10.0 109.843 178.768 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 509' ' ' ALA . . . . . 0.593 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -66.44 -34.19 77.39 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.713 179.644 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 510' ' ' HIS . . . . . 0.45 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 28.7 m-70 -72.65 -43.64 62.92 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.086 -0.506 . . . . 10.0 110.0 178.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 511' ' ' VAL . . . . . 0.468 ' O ' ' HG3' ' D' ' 515' ' ' ARG . 37.4 t -65.04 -40.66 89.76 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 N-CA-C 108.951 -0.759 . . . . 10.0 108.951 178.495 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -60.98 -42.04 97.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.362 -0.835 . . . . 10.0 109.459 178.318 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -63.41 -46.3 87.02 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 109.042 -0.725 . . . . 10.0 109.042 178.351 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 514' ' ' LEU . . . . . 0.476 ' HA ' ' HB2' ' D' ' 517' ' ' HIS . 90.3 mt -59.25 -26.28 64.77 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.182 -0.463 . . . . 10.0 111.512 179.599 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 515' ' ' ARG . . . . . 0.468 ' HG3' ' O ' ' D' ' 511' ' ' VAL . 86.6 mtt180 -69.19 -27.39 65.46 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 109.549 -0.538 . . . . 10.0 109.549 178.835 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 1.3 m -107.92 2.08 23.1 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.368 0.604 . . . . 10.0 110.265 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 517' ' ' HIS . . . . . 0.476 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 28.9 m170 -113.69 -61.93 1.67 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.184 -179.747 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 518' ' ' LEU . . . . . 0.453 ' HG ' HD22 ' D' ' 514' ' ' LEU . 61.5 mt -74.07 -46.97 39.73 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.236 0.458 . . . . 10.0 112.236 -178.765 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 519' ' ' ALA . . . . . 0.665 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -55.61 -57.66 19.86 Favored Pre-proline 0 C--N 1.327 -0.393 0 N-CA-C 112.866 0.691 . . . . 10.0 112.866 -179.278 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 520' ' ' PRO . . . . . 0.665 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 32.2 Cg_exo -61.97 -38.14 60.03 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 122.01 1.807 . . . . 10.0 111.354 179.232 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -66.37 -30.14 70.47 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-O 120.817 0.342 . . . . 10.0 110.623 179.686 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 522' ' ' SER . . . . . 0.484 ' O ' ' HG3' ' D' ' 526' ' ' ARG . 69.0 m -67.36 -34.24 76.9 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 108.746 -0.835 . . . . 10.0 108.746 178.339 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -70.54 -37.74 74.11 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 109.046 -0.724 . . . . 10.0 109.046 178.089 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.18 -42.85 99.44 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 108.224 -1.028 . . . . 10.0 108.224 177.214 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 49.2 mt -63.91 -32.98 74.7 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 115.266 -0.879 . . . . 10.0 110.013 178.533 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 526' ' ' ARG . . . . . 0.484 ' HG3' ' O ' ' D' ' 522' ' ' SER . 65.4 mtt180 -65.58 -42.22 92.0 Favored 'General case' 0 C--N 1.334 -0.087 0 N-CA-C 109.541 -0.541 . . . . 10.0 109.541 178.442 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -62.38 -43.34 99.05 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 109.008 -0.738 . . . . 10.0 109.008 178.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 528' ' ' ARG . . . . . 0.57 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 66.5 mtt180 -69.01 -37.14 78.5 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.991 -1.004 . . . . 10.0 110.417 179.243 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 1.7 mt -61.62 -42.71 99.26 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.367 -0.605 . . . . 10.0 109.367 178.531 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -60.29 -48.1 83.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.862 -0.608 . . . . 10.0 110.646 179.58 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -65.55 -46.42 79.6 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 116.024 -0.535 . . . . 10.0 110.367 179.723 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 532' ' ' ARG . . . . . 0.671 ' O ' ' HG ' ' D' ' 536' ' ' LEU . 5.2 ttm180 -58.79 -48.14 82.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.874 -0.603 . . . . 10.0 109.392 179.088 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 47.3 mt -61.64 -39.1 90.1 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.629 179.184 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -60.04 -43.71 95.15 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.945 -0.391 . . . . 10.0 109.945 178.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -64.83 -40.24 94.86 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.728 -0.669 . . . . 10.0 109.513 178.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 536' ' ' LEU . . . . . 0.671 ' HG ' ' O ' ' D' ' 532' ' ' ARG . 52.0 mt -68.68 -35.82 77.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.857 -0.61 . . . . 10.0 110.654 179.379 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 42.2 mtmt -71.11 -39.39 72.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.122 0.487 . . . . 10.0 109.834 179.096 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -66.45 -49.28 67.23 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.732 -0.667 . . . . 10.0 109.608 179.1 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -67.18 -43.7 81.52 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.443 -0.798 . . . . 10.0 110.492 179.324 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -64.23 -40.27 97.82 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 111.452 -0.659 . . . . 10.0 111.452 179.48 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -66.11 -38.23 93.77 Favored Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 110.987 -0.845 . . . . 10.0 110.987 178.726 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -69.93 -48.93 56.58 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 108.693 -0.854 . . . . 10.0 108.693 178.483 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 543' ' ' ARG . . . . . 0.419 ' HA ' ' HB2' ' D' ' 546' ' ' GLU . 53.2 mtt180 -60.8 -25.22 66.4 Favored 'General case' 0 C--O 1.217 -0.634 0 CA-C-N 115.6 -0.727 . . . . 10.0 110.591 179.325 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 5.9 mt -65.0 -47.7 76.58 Favored 'General case' 0 CA--C 1.518 -0.267 0 N-CA-C 109.676 -0.49 . . . . 10.0 109.676 178.15 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -69.1 -39.27 79.07 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.875 -0.602 . . . . 10.0 109.47 178.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 546' ' ' GLU . . . . . 0.516 ' O ' ' HD2' ' D' ' 550' ' ' LYS . 77.8 mt-10 -62.45 -51.9 65.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.426 -0.807 . . . . 10.0 110.002 179.04 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 14.6 m-30 -61.88 -38.07 86.93 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.549 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 3.6 m170 -63.95 -45.47 88.98 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.043 0.449 . . . . 10.0 110.107 179.091 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -61.25 -48.55 80.92 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.542 -0.54 . . . . 10.0 109.542 178.618 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 550' ' ' LYS . . . . . 0.516 ' HD2' ' O ' ' D' ' 546' ' ' GLU . 0.1 OUTLIER -62.81 -38.3 90.15 Favored 'General case' 0 C--O 1.219 -0.54 0 CA-C-N 115.713 -0.676 . . . . 10.0 110.695 179.427 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -64.38 -40.79 96.51 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 110.086 -0.339 . . . . 10.0 110.086 179.331 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 21.4 m -65.78 -44.19 86.54 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.042 -0.725 . . . . 10.0 109.042 178.603 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -65.08 -45.35 85.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.719 -0.673 . . . . 10.0 110.416 179.137 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 24.3 t60 -61.58 -34.67 76.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.117 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 15.1 tp -71.39 -38.41 71.5 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 116.275 -0.42 . . . . 10.0 110.551 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -42.91 96.68 Favored 'General case' 0 C--O 1.225 -0.185 0 C-N-CA 120.976 -0.29 . . . . 10.0 110.339 178.798 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.52 -33.4 75.0 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 109.623 -0.51 . . . . 10.0 109.623 178.54 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 16.0 mt -62.57 -46.29 89.03 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.713 -0.676 . . . . 10.0 109.933 178.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.06 -35.73 61.84 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.727 0.298 . . . . 10.0 110.624 179.753 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -60.15 -28.47 67.93 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.128 178.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 561' ' ' LYS . . . . . 0.422 ' HA ' ' HD2' ' D' ' 561' ' ' LYS . 8.1 mptt -97.04 -39.1 9.5 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.806 -0.634 . . . . 10.0 110.904 179.08 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -61.36 -43.99 97.93 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 112.414 0.524 . . . . 10.0 112.414 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -54.41 -62.1 4.53 Favored Pre-proline 0 CA--C 1.536 0.437 0 N-CA-C 112.238 0.458 . . . . 10.0 112.238 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.22 -31.53 44.23 Favored 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 121.983 1.789 . . . . 10.0 111.861 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -65.69 -47.37 75.64 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 109.895 -0.409 . . . . 10.0 109.895 178.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 28.1 mt -59.95 -48.79 80.24 Favored 'General case' 0 CA--C 1.516 -0.355 0 N-CA-C 109.224 -0.658 . . . . 10.0 109.224 178.722 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -58.45 -53.17 61.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.84 -0.618 . . . . 10.0 110.9 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.55 -45.6 93.46 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.091 -0.504 . . . . 10.0 111.797 -179.543 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 569' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' D' ' 569' ' ' LEU . 26.9 mt -63.6 -38.64 91.9 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.809 -0.178 . . . . 10.0 111.02 179.619 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -66.39 -45.77 78.93 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.625 -0.509 . . . . 10.0 109.625 178.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -67.68 -20.82 65.34 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.968 -0.56 . . . . 10.0 111.063 179.457 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -88.47 -42.1 5.91 Favored Glycine 0 N--CA 1.443 -0.839 0 N-CA-C 110.668 -0.973 . . . . 10.0 110.668 178.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 19.8 mt -64.11 -28.12 69.55 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 122.276 0.231 . . . . 10.0 111.033 179.402 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 574' ' ' LEU . . . . . 0.481 ' O ' ' HG2' ' D' ' 578' ' ' GLU . 34.5 mt -54.6 -64.24 2.14 Favored Pre-proline 0 CA--C 1.536 0.417 0 O-C-N 123.111 0.257 . . . . 10.0 111.579 179.434 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -70.83 -30.06 17.88 Favored 'Trans proline' 0 C--N 1.355 0.883 0 C-N-CA 121.692 1.595 . . . . 10.0 111.612 179.281 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 16.8 t -63.99 -48.33 86.49 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-N 116.833 -0.167 . . . . 10.0 110.66 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 36.5 mt -63.37 -39.33 94.23 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 110.264 -0.273 . . . . 10.0 110.264 179.271 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 578' ' ' GLU . . . . . 0.481 ' HG2' ' O ' ' D' ' 574' ' ' LEU . 20.2 mm-40 -64.51 -43.41 94.16 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 109.647 -0.501 . . . . 10.0 109.647 178.43 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 69.3 m -61.94 -42.02 98.63 Favored 'General case' 0 CA--C 1.528 0.134 0 N-CA-C 109.42 -0.585 . . . . 10.0 109.42 178.177 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -63.51 -43.42 97.27 Favored 'General case' 0 C--N 1.334 -0.066 0 CA-C-N 115.593 -0.73 . . . . 10.0 110.616 179.343 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -58.48 -42.58 87.84 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.681 -0.488 . . . . 10.0 109.681 178.585 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 582' ' ' VAL . . . . . 0.407 HG23 ' O ' ' D' ' 578' ' ' GLU . 69.4 t -61.46 -48.75 87.39 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-N 115.824 -0.626 . . . . 10.0 110.173 178.82 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 13.8 p -63.25 -41.01 99.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.374 -0.376 . . . . 10.0 111.292 179.622 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 584' ' ' PHE . . . . . 0.402 ' O ' ' HG ' ' D' ' 588' ' ' LEU . 11.6 m-85 -66.88 -45.04 79.31 Favored 'General case' 0 CA--C 1.523 -0.065 0 CA-C-N 116.493 -0.321 . . . . 10.0 111.013 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 34.3 mt -59.7 -46.08 90.15 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.867 0.365 . . . . 10.0 110.361 179.348 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 11.3 m -66.86 -32.25 73.4 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.843 179.668 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 587' ' ' ALA . . . . . 0.535 ' HA ' ' HE2' ' A' ' 396' ' ' LYS . . . -72.16 -51.89 19.17 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.821 0.344 . . . . 10.0 110.776 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 588' ' ' LEU . . . . . 0.593 HD22 ' H50' ' D' ' 630' ' ' 17F . 82.1 mt -64.06 -41.42 97.38 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.261 -179.466 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -58.7 -47.67 83.77 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.055 -0.521 . . . . 10.0 111.089 -179.597 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -72.37 -31.57 65.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.978 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 591' ' ' TYR . . . . . 0.443 ' HD1' ' HA ' ' D' ' 591' ' ' TYR . 1.8 m-30 -62.6 -43.95 97.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.517 -0.31 . . . . 10.0 110.878 179.485 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 4.1 m -66.86 -19.73 65.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.334 -0.394 . . . . 10.0 110.788 179.175 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -82.87 -43.88 16.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.128 179.111 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 594' ' ' LYS . . . . . 0.524 ' HE2' ' HB2' ' A' ' 388' ' ' SER . 12.0 mptt -73.73 -43.85 57.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.038 179.781 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 23.9 mt -89.81 49.35 1.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.395 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 . . . . . 0 C--N 1.32 -0.697 0 CA-C-N 116.053 -0.521 . . . . 10.0 111.07 -179.532 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' SER . . . . . 0.454 ' N ' ' HB ' ' B' ' 50' ' ' THR . 19.7 m . . . . . 0 N--CA 1.451 -0.407 0 CA-C-O 120.942 0.401 . . . . 10.0 110.847 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.22 126.16 49.13 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.001 179.756 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -92.99 142.24 27.51 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.753 0.311 . . . . 10.0 110.387 -179.541 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -135.6 106.61 6.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.047 179.722 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.547 ' HA ' ' HB3' ' B' ' 54' ' ' ASP . 63.3 mttm -80.53 118.73 22.39 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.075 179.543 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.51 ' O ' ' HA ' ' B' ' 55' ' ' ILE . 3.6 mt -123.72 140.27 53.16 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.196 -0.456 . . . . 10.0 111.166 -178.502 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 21.5 t -119.8 138.04 51.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.147 -0.478 . . . . 10.0 110.422 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.61 HG12 ' HD2' ' B' ' 16' ' ' LYS . 6.1 t -102.09 105.71 18.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.409 -0.359 . . . . 10.0 110.091 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 18.2 m -105.66 150.75 8.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.302 -0.408 . . . . 10.0 111.375 -179.345 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 153.15 171.55 20.55 Favored Glycine 0 N--CA 1.446 -0.69 0 CA-C-N 115.563 -0.744 . . . . 10.0 111.41 -179.322 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.9 -178.01 4.68 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.115 0.483 . . . . 10.0 110.964 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -86.42 156.81 20.01 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.867 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 72.61 8.9 73.13 Favored Glycine 0 CA--C 1.517 0.187 0 CA-C-N 116.077 -0.51 . . . . 10.0 114.236 179.615 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.524 HG12 ' HB2' ' B' ' 83' ' ' ALA . 31.4 m -87.37 -28.97 5.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 117.288 0.544 . . . . 10.0 111.942 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 15' ' ' GLY . . . . . 0.581 ' HA3' ' C8 ' ' B' ' 201' ' ' GSP . . . 106.68 34.39 3.07 Favored Glycine 0 CA--C 1.518 0.224 0 C-N-CA 120.564 -0.827 . . . . 10.0 113.366 179.422 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.61 ' HD2' HG12 ' B' ' 8' ' ' VAL . 42.2 mtmt -63.56 -44.35 94.38 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 122.765 -0.256 . . . . 10.0 111.624 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 17' ' ' SER . . . . . 0.466 ' OG ' ' O3G' ' B' ' 201' ' ' GSP . 0.7 OUTLIER -74.1 -23.63 59.35 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.292 -0.413 . . . . 10.0 111.83 -178.833 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.03 -43.6 98.26 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 110.057 -0.349 . . . . 10.0 110.057 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 58.3 mt -65.64 -38.99 90.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.048 -0.524 . . . . 10.0 110.476 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.87 -46.71 67.73 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.742 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 71.6 mt -64.21 -37.8 80.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.81 179.06 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' GLN . . . . . 0.601 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 6.4 mm-40 -64.83 -32.49 74.21 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.152 0.501 . . . . 10.0 110.707 179.145 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 17.7 tp -83.77 -40.19 19.1 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.457 -0.338 . . . . 10.0 111.81 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.445 HG13 ' HB3' ' B' ' 40' ' ' TYR . 38.4 mm -83.12 -65.04 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 112.695 0.628 . . . . 10.0 112.695 -178.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -78.25 -19.81 52.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.443 -0.344 . . . . 10.0 111.613 -178.308 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' ASN . . . . . 0.601 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 2.7 t-20 71.01 38.06 1.16 Allowed 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 113.347 0.869 . . . . 10.0 113.347 178.436 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -155.93 177.31 11.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.529 -0.305 . . . . 10.0 110.947 178.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -120.81 130.17 53.87 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.078 0.466 . . . . 10.0 111.395 -179.539 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 17.4 m -92.14 150.58 3.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.857 -0.611 . . . . 10.0 110.138 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -101.67 -31.05 10.99 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.024 -0.534 . . . . 10.0 110.667 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -75.58 133.2 41.0 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.574 -0.739 . . . . 10.0 111.52 -179.178 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' TYR . . . . . 0.747 ' CD1' H5'2 ' B' ' 201' ' ' GSP . 23.9 t80 -76.11 130.59 38.54 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.163 -0.681 . . . . 10.0 109.163 178.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -134.41 109.72 11.37 Favored Pre-proline 0 C--N 1.321 -0.668 0 CA-C-O 120.838 0.351 . . . . 10.0 111.498 -179.173 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 34' ' ' PRO . . . . . 0.485 ' HA ' ' S1G' ' B' ' 201' ' ' GSP . 25.4 Cg_exo -64.33 99.58 0.3 Allowed 'Trans proline' 0 CA--C 1.53 0.309 0 C-N-CA 122.961 2.441 . . . . 10.0 111.599 179.636 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.422 ' OG1' ' O3G' ' B' ' 201' ' ' GSP . 3.1 m -71.35 115.14 10.17 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.165 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 44.2 mm -76.62 -51.44 19.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 108.521 -0.918 . . . . 10.0 108.521 178.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' GLU . . . . . 0.595 ' HG2' HD11 ' B' ' 56' ' ' LEU . 22.6 tt0 -179.77 103.85 0.03 OUTLIER 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 115.064 -0.971 . . . . 10.0 109.902 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -135.52 139.15 43.75 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.98 -0.288 . . . . 10.0 111.467 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 3.2 m -102.18 148.55 25.29 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.244 -0.435 . . . . 10.0 111.131 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' TYR . . . . . 0.445 ' HB3' HG13 ' B' ' 24' ' ' ILE . 78.3 m-85 -131.32 124.32 30.16 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.9 -0.591 . . . . 10.0 110.048 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.52 ' HD2' ' OD1' ' B' ' 54' ' ' ASP . 0.1 OUTLIER -114.87 117.94 32.1 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.126 -0.488 . . . . 10.0 111.897 -179.064 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 35.4 tttp -134.78 133.79 40.22 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.81 -0.632 . . . . 10.0 109.939 179.31 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -101.39 112.84 25.49 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.113 -0.494 . . . . 10.0 109.904 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 3.5 m -126.21 165.66 23.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.41 -0.359 . . . . 10.0 111.312 -179.5 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 14.6 t -102.92 84.86 0.89 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.346 0 CA-C-O 121.367 0.603 . . . . 10.0 110.49 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 46' ' ' ILE . . . . . 0.647 HD13 ' HA ' ' B' ' 157' ' ' TYR . 58.8 mt -89.86 121.81 40.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.611 -179.181 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 47' ' ' ASP . . . . . 0.941 ' HA ' ' HB2' ' C' ' 128' ' ' LYS . 63.8 m-20 64.23 13.92 8.27 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.574 -0.739 . . . . 10.0 111.624 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.3 7.82 58.0 Favored Glycine 0 N--CA 1.454 -0.164 0 C-N-CA 120.752 -0.737 . . . . 10.0 112.554 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -116.13 144.83 43.63 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.674 0.274 . . . . 10.0 110.384 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 50' ' ' THR . . . . . 0.454 ' HB ' ' N ' ' B' ' 1' ' ' SER . 3.2 m -77.51 106.73 9.48 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.274 -0.639 . . . . 10.0 109.274 178.711 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 51' ' ' CYS . . . . . 0.464 ' SG ' ' HB ' ' B' ' 46' ' ' ILE . 15.9 m -109.64 125.58 52.74 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.892 0.377 . . . . 10.0 111.834 -178.521 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 52.2 tp -94.23 107.34 19.28 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.587 -0.894 . . . . 10.0 108.587 178.055 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' LEU . . . . . 0.496 ' O ' ' HA ' ' B' ' 41' ' ' ARG . 34.5 mt -82.06 115.59 21.27 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.944 -0.571 . . . . 10.0 112.414 -177.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 54' ' ' ASP . . . . . 0.547 ' HB3' ' HA ' ' B' ' 5' ' ' LYS . 12.4 t70 -105.52 79.67 1.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.193 -1.41 . . . . 10.0 107.193 177.633 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 55' ' ' ILE . . . . . 0.51 ' HA ' ' O ' ' B' ' 6' ' ' LEU . 39.0 mt -91.66 145.85 6.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.878 -0.601 . . . . 10.0 111.721 -177.767 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.595 HD11 ' HG2' ' B' ' 37' ' ' GLU . 23.1 tp -136.5 117.65 14.45 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.048 179.562 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -97.45 112.78 24.48 Favored 'General case' 0 C--O 1.233 0.223 0 N-CA-C 108.952 -0.758 . . . . 10.0 108.952 178.421 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 58' ' ' THR . . . . . 0.56 HG23 ' HG3' ' B' ' 37' ' ' GLU . 0.2 OUTLIER -105.24 161.93 13.85 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.505 -0.316 . . . . 10.0 111.309 -179.537 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.5 129.53 41.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.134 -0.484 . . . . 10.0 111.752 -179.119 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -105.1 41.74 2.08 Favored Glycine 0 N--CA 1.447 -0.589 0 N-CA-C 111.161 -0.776 . . . . 10.0 111.161 179.083 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -107.54 18.67 21.21 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.639 0.257 . . . . 10.0 110.793 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 62.68 -160.66 0.3 Allowed 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.806 -0.634 . . . . 10.0 112.24 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 66.35 15.71 10.19 Favored 'General case' 0 C--O 1.225 -0.196 0 CA-C-N 115.853 -0.612 . . . . 10.0 111.239 -179.469 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 9.0 m-30 -118.38 75.42 1.01 Allowed 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.205 -0.665 . . . . 10.0 109.205 179.515 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 1.6 p -78.43 -67.26 0.76 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.362 -0.381 . . . . 10.0 111.092 -179.455 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.31 -29.85 42.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.945 -0.571 . . . . 10.0 111.408 -179.359 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 89.6 mtp -64.69 -31.51 72.76 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.909 0.385 . . . . 10.0 110.925 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 68' ' ' ARG . . . . . 0.549 ' HA ' ' CZ ' ' B' ' 71' ' ' TYR . 24.7 ttp180 -78.95 -25.96 43.57 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 121.175 0.512 . . . . 10.0 110.296 179.72 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.02 -8.05 41.31 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.907 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -86.1 -63.9 1.24 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.242 0.46 . . . . 10.0 112.242 -179.19 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 71' ' ' TYR . . . . . 0.549 ' CZ ' ' HA ' ' B' ' 68' ' ' ARG . 5.4 p90 -67.07 -16.65 64.47 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 113.126 0.787 . . . . 10.0 113.126 -179.189 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 72' ' ' MET . . . . . 0.453 ' SD ' ' HG2' ' B' ' 99' ' ' GLN . 33.0 mtt -69.71 -19.35 63.56 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.294 0.569 . . . . 10.0 110.048 178.467 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 59.4 mtt180 -81.49 -48.75 11.44 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.594 -0.73 . . . . 10.0 109.536 178.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.99 -40.34 75.35 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.317 -0.856 . . . . 10.0 112.124 -179.397 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -58.36 121.08 24.99 Favored Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 116.046 -0.525 . . . . 10.0 112.751 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.485 ' HG3' ' HB2' ' B' ' 5' ' ' LYS . 30.6 mt-10 -88.45 -40.34 13.55 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-O 120.635 0.255 . . . . 10.0 110.521 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -119.52 131.16 8.84 Favored Glycine 0 N--CA 1.446 -0.687 0 N-CA-C 111.374 -0.69 . . . . 10.0 111.374 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 78' ' ' PHE . . . . . 0.656 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 96.1 m-85 -111.05 129.48 55.9 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.069 0.462 . . . . 10.0 111.505 -179.4 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 57.0 tp -101.84 117.38 34.73 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.014 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 27.1 m -88.07 99.39 12.14 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.182 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 30.2 t -101.59 118.72 48.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.138 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 47.1 p90 -125.18 160.76 28.41 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.882 179.45 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.524 ' HB2' HG12 ' B' ' 14' ' ' VAL . . . -99.98 144.09 29.43 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.951 -0.568 . . . . 10.0 109.963 179.512 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 84' ' ' ILE . . . . . 0.408 HD12 ' HB3' ' B' ' 123' ' ' ARG . 28.7 pt -85.58 -10.86 11.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.809 0.338 . . . . 10.0 111.28 -179.773 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 85' ' ' ASN . . . . . 0.451 ' OD1' ' HB1' ' B' ' 83' ' ' ALA . 27.0 p-10 -99.6 -28.81 13.03 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.272 -0.422 . . . . 10.0 111.964 -179.651 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 35.7 t-20 -108.56 113.48 26.52 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.002 0.43 . . . . 10.0 111.12 -178.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.81 -26.51 64.28 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.867 -0.606 . . . . 10.0 111.929 -179.629 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -59.86 -43.15 94.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.656 0.265 . . . . 10.0 110.889 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.21 -26.8 66.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.132 -0.485 . . . . 10.0 111.434 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -75.61 -44.94 40.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.071 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -72.45 -22.14 61.13 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.381 -0.372 . . . . 10.0 111.351 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.24 -18.04 61.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 10.0 111.732 -179.459 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 45.4 mm -59.89 -37.2 70.92 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 N-CA-C 109.598 -0.519 . . . . 10.0 109.598 179.57 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -63.0 -46.89 85.51 Favored 'General case' 0 C--O 1.231 0.084 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.035 179.122 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 39.9 m-70 -62.5 -41.9 99.14 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.012 -0.54 . . . . 10.0 110.837 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -63.5 -47.58 81.15 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.32 178.637 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 97' ' ' ARG . . . . . 0.439 HH11 ' HD3' ' B' ' 97' ' ' ARG . 31.5 ttt-85 -59.53 -40.03 85.83 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 116.046 -0.525 . . . . 10.0 111.025 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -61.6 -44.97 96.01 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.408 -0.36 . . . . 10.0 111.314 179.592 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 99' ' ' GLN . . . . . 0.453 ' HG2' ' SD ' ' B' ' 72' ' ' MET . 63.5 tt0 -65.48 -44.05 88.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.535 -0.302 . . . . 10.0 110.721 179.668 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 96.6 mt -55.34 -49.01 76.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-O 121.164 0.507 . . . . 10.0 110.459 179.332 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 101' ' ' LYS . . . . . 0.418 ' HE2' ' HG2' ' B' ' 97' ' ' ARG . 7.8 mtmt -66.03 -24.44 66.75 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.657 -0.702 . . . . 10.0 111.934 -179.428 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 6.1 tmm_? -82.43 -41.81 19.37 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.676 -0.49 . . . . 10.0 109.676 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 103' ' ' VAL . . . . . 0.435 HG23 ' O ' ' B' ' 99' ' ' GLN . 71.2 t -64.65 -48.68 83.74 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 CA-C-N 115.818 -0.628 . . . . 10.0 111.282 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 104' ' ' LYS . . . . . 0.404 ' HD2' ' HE2' ' B' ' 78' ' ' PHE . 22.2 mtpp -83.19 -2.87 56.6 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.187 -0.461 . . . . 10.0 111.189 -179.397 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 11.9 t70 50.12 49.22 20.84 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 121.455 0.645 . . . . 10.0 111.378 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 2.5 t -166.7 144.81 5.18 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.657 -0.701 . . . . 10.0 109.636 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -86.65 -34.93 19.63 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.866 0.365 . . . . 10.0 110.79 -179.468 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.91 98.06 6.25 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.203 0.525 . . . . 10.0 110.674 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 0.402 ' HA ' ' HD3' ' B' ' 110' ' ' PRO . 60.7 t -129.11 135.08 27.06 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 115.506 -0.77 . . . . 10.0 109.785 -179.659 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 110' ' ' PRO . . . . . 0.412 ' HG3' ' HB2' ' B' ' 166' ' ' HIS . 27.5 Cg_exo -64.42 105.68 0.63 Allowed 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.588 2.192 . . . . 10.0 111.54 179.208 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 111' ' ' MET . . . . . 0.656 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 67.1 mtm -139.25 153.68 47.86 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.199 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 99.3 t -133.1 136.78 54.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.999 -0.371 . . . . 10.0 109.999 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 15.5 tp -93.05 113.86 26.24 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.406 -0.59 . . . . 10.0 109.406 179.621 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 51.4 t -120.07 122.94 69.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.068 0.461 . . . . 10.0 111.763 -178.344 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -107.64 116.57 4.92 Favored Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 110.315 -1.114 . . . . 10.0 110.315 178.434 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -94.69 167.0 11.73 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.923 0.361 . . . . 10.0 111.324 -179.142 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 117' ' ' LYS . . . . . 0.414 ' HE2' ' C4 ' ' B' ' 201' ' ' GSP . 51.1 mttt 67.88 29.69 6.52 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 123.61 0.764 . . . . 10.0 112.655 179.201 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 70.8 m -66.19 -11.72 51.51 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.62 0.6 . . . . 10.0 112.62 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -90.23 -10.25 45.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.882 0.372 . . . . 10.0 110.933 179.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 29.7 mt -80.36 138.53 51.89 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 116.459 -0.337 . . . . 10.0 110.626 179.223 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -74.69 150.95 40.55 Favored 'Trans proline' 0 C--O 1.238 0.491 0 C-N-CA 122.474 2.116 . . . . 10.0 112.534 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 2.5 m 62.52 81.69 0.19 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.66 -0.7 . . . . 10.0 112.187 179.297 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 123' ' ' ARG . . . . . 0.44 HH12 ' CD ' ' B' ' 143' ' ' GLU . 15.8 ptt180 -105.85 139.35 40.55 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 122.287 -0.258 . . . . 10.0 111.259 178.849 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 7.4 m -66.81 -63.41 1.07 Allowed 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.229 0.455 . . . . 10.0 112.229 -179.078 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 73.2 t -76.41 117.7 21.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.908 0.385 . . . . 10.0 110.711 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -76.91 151.16 35.88 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.682 -0.69 . . . . 10.0 109.288 179.385 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 1.7 m -53.01 -42.54 65.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.505 -0.316 . . . . 10.0 111.675 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 128' ' ' LYS . . . . . 0.761 ' HB3' ' HA ' ' C' ' 47' ' ' ASP . 1.3 mppt? -68.47 -23.28 64.56 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.856 0.36 . . . . 10.0 111.963 -179.393 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -76.24 -44.56 36.91 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.713 -0.476 . . . . 10.0 109.713 179.097 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -69.42 -44.13 71.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.691 -0.686 . . . . 10.0 110.844 179.548 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -63.03 -36.73 84.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.867 -0.606 . . . . 10.0 111.314 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -63.93 -36.05 82.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.181 0.515 . . . . 10.0 110.968 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 13.3 tp -78.99 -38.21 37.32 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.253 -0.431 . . . . 10.0 110.566 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.78 -44.39 96.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.994 -0.548 . . . . 10.0 111.139 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 135' ' ' ARG . . . . . 0.755 ' HB2' ' HD3' ' C' ' 165' ' ' LYS . 5.8 ppt_? -64.17 -23.68 67.41 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.373 -0.376 . . . . 10.0 111.951 -179.753 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.68 -27.71 50.89 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.097 0.475 . . . . 10.0 109.839 179.371 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 21.1 m-30 -83.48 -36.4 24.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.037 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 101.21 17.15 23.27 Favored Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 111.026 -0.829 . . . . 10.0 111.026 -178.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 47.1 pt -116.78 150.33 45.57 Favored Pre-proline 0 C--N 1.326 -0.443 0 N-CA-C 110.185 -0.302 . . . . 10.0 110.185 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -80.38 144.2 16.0 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 122.371 2.048 . . . . 10.0 113.187 -179.474 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -106.34 142.14 36.51 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.33 -0.85 . . . . 10.0 109.372 179.046 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 37.0 mt -130.17 132.18 65.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-O 120.977 0.418 . . . . 10.0 111.941 -179.445 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 143' ' ' GLU . . . . . 0.44 ' CD ' HH12 ' B' ' 123' ' ' ARG . 3.7 mm-40 -85.48 122.5 29.71 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 107.658 -1.238 . . . . 10.0 107.658 177.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 144' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' B' ' 150' ' ' GLN . 24.5 p -133.48 166.19 23.12 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.799 1.037 . . . . 10.0 113.799 -177.753 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 10.5 t -155.32 103.41 2.34 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.51 -1.223 . . . . 10.0 108.159 178.448 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 146' ' ' ALA . . . . . 0.431 ' HB3' ' O6 ' ' B' ' 201' ' ' GSP . . . -64.57 -23.76 67.37 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.318 0.58 . . . . 10.0 110.567 -179.455 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 44.4 tttt -67.67 -31.36 71.28 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.086 -0.961 . . . . 10.0 111.735 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 65.8 p -120.02 2.56 10.98 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.836 0.31 . . . . 10.0 111.836 -178.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 45.0 ttm-85 61.94 34.73 16.65 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 121.662 0.744 . . . . 10.0 110.925 -178.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 150' ' ' GLN . . . . . 0.406 ' O ' ' HA ' ' B' ' 144' ' ' THR . 58.1 tt0 -80.36 105.46 11.63 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.984 -179.542 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 66.74 5.79 33.04 Favored Glycine 0 CA--C 1.519 0.339 0 CA-C-N 115.855 -0.611 . . . . 10.0 114.476 177.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 62.6 t -58.74 -47.56 88.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 117.291 0.545 . . . . 10.0 111.05 -179.43 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -64.5 -44.37 91.17 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.824 -0.625 . . . . 10.0 111.2 -179.565 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -65.11 -26.97 68.43 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.026 0.441 . . . . 10.0 110.985 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -66.02 -40.14 90.81 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.435 -0.58 . . . . 10.0 109.435 178.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -71.07 -33.99 70.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.833 -0.621 . . . . 10.0 109.865 178.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 157' ' ' TYR . . . . . 0.647 ' HA ' HD13 ' B' ' 46' ' ' ILE . 4.2 m-30 -68.32 -44.92 74.29 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.75 -0.659 . . . . 10.0 109.945 179.313 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 50.5 m -61.92 -33.87 75.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.837 -0.62 . . . . 10.0 111.068 179.242 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 159' ' ' LEU . . . . . 0.401 ' HG ' HD22 ' B' ' 6' ' ' LEU . 14.3 tp -59.06 -43.93 91.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.105 0.479 . . . . 10.0 109.726 179.055 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 39.6 t -74.53 -35.92 39.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.765 -0.652 . . . . 10.0 110.132 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -56.72 -40.16 75.19 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.562 -0.745 . . . . 10.0 110.377 179.258 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -67.54 -30.41 70.05 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.778 -0.646 . . . . 10.0 111.778 179.724 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 65.2 mt -67.64 -43.76 86.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 110.077 -0.342 . . . . 10.0 110.077 179.48 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 22.7 mtt85 -64.64 -36.16 83.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 10.0 109.903 178.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 29.1 ttmt -64.29 -44.91 90.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.751 -0.659 . . . . 10.0 109.858 179.291 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 166' ' ' HIS . . . . . 0.412 ' HB2' ' HG3' ' B' ' 110' ' ' PRO . 45.1 t-80 -56.7 -43.97 81.07 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.927 -0.578 . . . . 10.0 111.075 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -55.06 -50.0 70.23 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.6 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -64.19 -47.16 80.84 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.861 179.676 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 169' ' ' LYS . . . . . 0.425 ' HB3' ' HE2' ' B' ' 169' ' ' LYS . 34.9 mtpt -59.77 -32.28 70.45 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.929 0.714 . . . . 10.0 112.929 -178.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 82.0 mmm -94.63 -36.3 11.84 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 114.048 1.129 . . . . 10.0 114.048 -178.549 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 16.2 m -67.61 -31.27 71.18 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.063 0.459 . . . . 10.0 111.713 -179.48 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -89.04 -16.57 31.3 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.827 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 173' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 67.83 158.51 0.14 Allowed 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 121.449 0.642 . . . . 10.0 112.591 -179.541 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . -159.5 47.86 0.41 Allowed Glycine 0 N--CA 1.45 -0.427 0 N-CA-C 111.325 -0.71 . . . . 10.0 111.325 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 175' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -130.82 122.47 27.18 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 111.632 0.234 . . . . 10.0 111.632 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 176' ' ' LYS . . . . . 0.749 ' HB3' ' H35' ' A' ' 415' ' ' 17F . 37.6 mmtt 64.07 94.87 0.05 Allowed 'General case' 0 N--CA 1.466 0.373 0 O-C-N 123.57 0.544 . . . . 10.0 111.709 179.519 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 177' ' ' LYS . . . . . 0.451 ' HD3' ' HA ' ' B' ' 177' ' ' LYS . 41.1 mmtt -117.49 -84.63 0.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.935 -0.575 . . . . 10.0 111.455 -179.376 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 178' ' ' LYS . . . . . 0.588 ' O ' ' H8 ' ' A' ' 415' ' ' 17F . 27.1 mtmm -125.17 173.41 8.78 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.699 0.285 . . . . 10.0 110.496 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 179' ' ' LYS . . . . . 0.997 ' HB3' ' H9A' ' A' ' 415' ' ' 17F . 0.6 OUTLIER -137.9 146.8 43.76 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.665 -0.698 . . . . 10.0 109.626 179.535 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 180' ' ' LYS . . . . . 0.818 ' HD2' ' H1 ' ' A' ' 415' ' ' 17F . 91.1 mttt -104.97 -96.98 0.33 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.899 0.38 . . . . 10.0 110.897 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 181' ' ' SER . . . . . 0.447 ' O ' ' P1 ' ' A' ' 415' ' ' 17F . 1.1 m -138.24 129.26 27.08 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.784 -0.821 . . . . 10.0 108.784 179.231 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 182' ' ' LYS . . . . . 0.598 ' HG2' H131 ' A' ' 414' ' ' PCW . 0.0 OUTLIER -71.32 105.23 3.41 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.398 0.518 . . . . 10.0 112.398 -178.79 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 10.9 m -102.5 -62.95 1.2 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.779 -0.646 . . . . 10.0 109.989 179.023 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 184' ' ' LYS . . . . . . . . . . . . . 19.6 mttm . . . . . 0 C--N 1.33 -0.252 0 CA-C-O 120.872 0.368 . . . . 10.0 111.359 179.488 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 12.9 m . . . . . 0 C--O 1.233 0.203 0 CA-C-O 120.887 0.375 . . . . 10.0 111.031 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.22 134.98 46.98 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.191 -0.458 . . . . 10.0 110.057 179.654 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -100.63 138.64 37.41 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.899 -0.408 . . . . 10.0 109.899 179.592 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -129.09 118.14 22.0 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.197 -0.456 . . . . 10.0 109.83 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 5' ' ' LYS . . . . . 0.648 ' HB2' ' HG3' ' C' ' 76' ' ' GLU . 41.2 mttm -83.51 112.7 20.21 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 116.163 -0.471 . . . . 10.0 111.205 -179.693 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 6' ' ' LEU . . . . . 0.47 ' O ' ' HA ' ' C' ' 55' ' ' ILE . 14.2 mt -111.57 117.32 32.65 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.44 -0.8 . . . . 10.0 110.943 -178.729 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 49.7 t -106.23 120.27 56.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.365 -0.38 . . . . 10.0 110.112 179.245 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.554 HG12 ' HD2' ' C' ' 16' ' ' LYS . 3.1 t -88.42 116.45 30.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.356 -0.384 . . . . 10.0 110.078 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 19.9 m -118.96 162.34 17.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.006 0.432 . . . . 10.0 112.03 -179.388 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 152.1 -161.61 29.43 Favored Glycine 0 N--CA 1.447 -0.598 0 N-CA-C 110.598 -1.001 . . . . 10.0 110.598 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -90.77 -165.68 1.41 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.694 0.247 . . . . 10.0 110.352 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.57 144.97 25.58 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.989 0.423 . . . . 10.0 110.849 179.714 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 13' ' ' GLY . . . . . 0.791 ' HA2' H5'1 ' C' ' 201' ' ' GSP . . . 69.72 18.2 73.82 Favored Glycine 0 N--CA 1.451 -0.357 0 CA-C-N 115.898 -0.592 . . . . 10.0 113.598 178.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 14' ' ' VAL . . . . . 0.411 ' CG2' ' HG3' ' C' ' 16' ' ' LYS . 17.1 m -82.88 -22.63 8.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 120.991 0.424 . . . . 10.0 111.186 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 108.9 21.83 7.25 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.682 -0.771 . . . . 10.0 113.532 179.079 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 16' ' ' LYS . . . . . 0.554 ' HD2' HG12 ' C' ' 8' ' ' VAL . 2.0 mtmp? -61.48 -33.63 74.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.06 0.457 . . . . 10.0 110.917 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 1.9 m -79.78 -47.36 15.34 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.977 -0.556 . . . . 10.0 109.952 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.05 -47.53 80.73 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.002 -0.545 . . . . 10.0 111.523 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 37.4 mt -59.42 -51.33 70.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.391 -0.368 . . . . 10.0 111.314 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 4.4 m -65.05 -41.51 95.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.421 -0.354 . . . . 10.0 111.894 -179.21 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 79.0 mt -64.07 -30.71 50.79 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 CA-C-O 120.665 0.269 . . . . 10.0 110.564 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 22' ' ' GLN . . . . . 0.659 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 6.3 mm-40 -67.02 -19.74 65.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.626 179.208 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.491 HD22 ' CD2' ' C' ' 156' ' ' PHE . 11.9 tp -97.39 -35.73 10.59 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.244 0.545 . . . . 10.0 111.092 179.131 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 48.0 mm -79.34 -63.03 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.687 -0.688 . . . . 10.0 111.537 -179.252 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 25' ' ' GLN . . . . . 0.49 ' HB3' ' HD2' ' C' ' 27' ' ' HIS . 74.5 mt-30 -90.8 -8.86 48.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.098 0.475 . . . . 10.0 111.575 -179.457 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 26' ' ' ASN . . . . . 0.659 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 68.7 m-80 62.11 31.64 17.71 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 114.103 1.149 . . . . 10.0 114.103 178.236 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 27' ' ' HIS . . . . . 0.49 ' HD2' ' HB3' ' C' ' 25' ' ' GLN . 10.3 p80 -143.18 159.58 42.04 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 121.118 -0.233 . . . . 10.0 110.519 178.485 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -98.41 128.68 44.9 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 112.091 0.404 . . . . 10.0 112.091 -178.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 4.1 m -97.29 129.99 46.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.536 -0.756 . . . . 10.0 109.745 178.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -93.35 -22.94 18.65 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.808 0.337 . . . . 10.0 111.837 -179.011 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -83.34 138.96 33.31 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.094 0.473 . . . . 10.0 111.088 -179.64 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 32' ' ' TYR . . . . . 0.993 ' HD1' H5'2 ' C' ' 201' ' ' GSP . 88.9 t80 -86.45 115.75 24.16 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.678 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 33' ' ' ASP . . . . . 0.416 ' O ' ' S1G' ' C' ' 201' ' ' GSP . 10.7 t70 -118.94 105.79 44.63 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 116.486 -0.325 . . . . 10.0 110.294 179.381 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -51.56 112.23 0.77 Allowed 'Trans proline' 0 C--O 1.234 0.292 0 C-N-CA 123.162 2.575 . . . . 10.0 111.911 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 35' ' ' THR . . . . . 0.55 ' CG2' ' HB2' ' C' ' 38' ' ' ASP . 11.2 m -81.48 112.92 19.17 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.519 -0.764 . . . . 10.0 111.093 -179.411 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 36.1 mm -85.0 -42.92 16.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.828 -0.624 . . . . 10.0 109.602 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -175.23 86.4 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.265 -0.88 . . . . 10.0 109.014 179.467 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 38' ' ' ASP . . . . . 0.55 ' HB2' ' CG2' ' C' ' 35' ' ' THR . 0.2 OUTLIER -102.12 134.91 44.62 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.838 -0.619 . . . . 10.0 111.202 -178.633 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 1.5 m -117.3 136.14 53.32 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.364 -0.38 . . . . 10.0 110.809 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -131.37 134.93 46.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.633 -0.258 . . . . 10.0 111.035 -179.007 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -125.75 127.87 46.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.47 -0.332 . . . . 10.0 111.188 179.281 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 40.7 tttp -145.69 157.64 43.93 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.523 -0.547 . . . . 10.0 109.523 -179.46 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -124.96 123.03 39.02 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.856 -0.424 . . . . 10.0 109.856 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 3.7 m -133.46 171.63 17.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.841 0.353 . . . . 10.0 111.906 -179.306 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 33.1 t -108.67 85.64 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.054 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 53.4 mt -88.62 111.53 22.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.971 -179.178 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 47' ' ' ASP . . . . . 0.761 ' HA ' ' HB3' ' B' ' 128' ' ' LYS . 3.5 m-20 63.28 19.41 11.66 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 115.631 -0.713 . . . . 10.0 111.648 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.3 -16.21 55.52 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.827 -0.701 . . . . 10.0 111.817 -179.499 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -88.31 122.96 32.42 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.004 0.431 . . . . 10.0 111.214 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 3.0 m -77.65 113.58 15.64 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 107.783 -1.192 . . . . 10.0 107.783 178.108 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -126.61 152.23 46.94 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 113.342 0.867 . . . . 10.0 113.342 -177.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 52.9 tp -102.77 118.17 36.25 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 114.763 -1.108 . . . . 10.0 108.5 178.649 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 46.7 mt -87.17 116.04 24.98 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.039 -0.528 . . . . 10.0 112.104 -178.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 54' ' ' ASP . . . . . 0.556 ' HB3' ' HA ' ' C' ' 5' ' ' LYS . 32.0 t70 -100.75 80.43 2.17 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 107.81 -1.182 . . . . 10.0 107.81 178.627 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 55' ' ' ILE . . . . . 0.47 ' HA ' ' O ' ' C' ' 6' ' ' LEU . 22.3 mt -90.46 141.71 13.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.872 -0.604 . . . . 10.0 112.17 -177.43 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 16.1 tp -136.51 119.27 16.15 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 115.606 -0.725 . . . . 10.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -99.03 116.72 31.9 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.498 -0.927 . . . . 10.0 108.498 178.143 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 58' ' ' THR . . . . . 0.518 HG21 ' CE1' ' C' ' 71' ' ' TYR . 0.8 OUTLIER -105.58 171.34 7.38 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.363 -0.381 . . . . 10.0 111.778 -179.571 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.59 128.56 35.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.037 -0.528 . . . . 10.0 111.344 -179.33 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -105.81 25.3 24.53 Favored Glycine 0 N--CA 1.449 -0.475 0 CA-C-N 115.706 -0.679 . . . . 10.0 112.117 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -93.86 19.25 9.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.661 0.267 . . . . 10.0 111.302 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 59.05 -157.19 0.33 Allowed 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 115.864 -0.607 . . . . 10.0 112.098 179.761 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 73.86 -50.85 0.69 Allowed 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 123.369 0.668 . . . . 10.0 112.785 179.424 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 64' ' ' TYR . . . . . 0.642 ' HB3' ' HB3' ' C' ' 67' ' ' MET . 51.0 m-85 -70.21 96.07 1.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.132 0.419 . . . . 10.0 112.132 -179.469 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.5 -55.82 3.5 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.768 -0.651 . . . . 10.0 110.898 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.21 -38.34 90.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.461 -179.335 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 67' ' ' MET . . . . . 0.642 ' HB3' ' HB3' ' C' ' 64' ' ' TYR . 28.4 ttm -62.72 -41.8 99.34 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.636 179.398 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 68' ' ' ARG . . . . . 0.599 ' HA ' ' CE1' ' C' ' 71' ' ' TYR . 5.6 ttp180 -65.18 -41.13 94.9 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.826 -0.624 . . . . 10.0 109.857 179.721 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -61.97 -34.67 76.56 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.027 -0.988 . . . . 10.0 111.534 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -65.18 -60.24 3.23 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 113.212 0.819 . . . . 10.0 113.212 -178.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 71' ' ' TYR . . . . . 0.599 ' CE1' ' HA ' ' C' ' 68' ' ' ARG . 31.1 p90 -68.34 -15.46 63.57 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 113.956 1.095 . . . . 10.0 113.956 -177.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 72' ' ' MET . . . . . 0.456 ' HE3' ' HG2' ' C' ' 68' ' ' ARG . 40.2 mtt -67.97 -22.26 65.04 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.169 0.509 . . . . 10.0 111.039 179.728 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 23.2 mtt180 -81.12 -30.68 34.5 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.013 0.435 . . . . 10.0 110.414 179.591 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 10.6 m -81.12 -48.81 11.64 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.62 -0.718 . . . . 10.0 111.448 -179.486 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.32 135.06 50.15 Favored Glycine 0 C--N 1.33 0.247 0 CA-C-N 115.827 -0.624 . . . . 10.0 113.109 -179.227 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 76' ' ' GLU . . . . . 0.648 ' HG3' ' HB2' ' C' ' 5' ' ' LYS . 4.6 mt-10 -101.47 -42.24 6.33 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.669 -0.493 . . . . 10.0 109.669 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 77' ' ' GLY . . . . . 0.528 ' HA3' HD11 ' C' ' 163' ' ' ILE . . . -112.28 128.62 8.61 Favored Glycine 0 N--CA 1.445 -0.753 0 N-CA-C 110.581 -1.007 . . . . 10.0 110.581 179.094 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 78' ' ' PHE . . . . . 0.762 ' HB2' ' HG2' ' C' ' 111' ' ' MET . 98.1 m-85 -111.87 117.7 33.49 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.345 0.593 . . . . 10.0 111.969 -178.632 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 79' ' ' LEU . . . . . 0.534 HD13 HD22 ' C' ' 159' ' ' LEU . 14.6 tp -91.74 104.76 17.18 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.591 -0.732 . . . . 10.0 109.434 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 80' ' ' CYS . . . . . 0.619 ' HB3' HD12 ' C' ' 93' ' ' ILE . 23.5 m -85.12 94.95 8.98 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.703 -0.48 . . . . 10.0 109.703 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 81' ' ' VAL . . . . . 0.438 HG22 ' HB ' ' C' ' 114' ' ' VAL . 58.7 t -102.39 131.38 50.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.021 -0.536 . . . . 10.0 111.285 -178.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 82' ' ' PHE . . . . . 0.462 ' HE2' ' HG ' ' C' ' 113' ' ' LEU . 47.7 p90 -134.7 175.28 9.69 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.767 -0.651 . . . . 10.0 109.855 179.255 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -115.12 128.45 56.22 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.636 -0.505 . . . . 10.0 109.636 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 84' ' ' ILE . . . . . 0.505 HD11 ' HA ' ' C' ' 118' ' ' CYS . 37.1 pt -70.97 -8.5 11.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 112.995 0.739 . . . . 10.0 112.995 -178.788 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 26.4 p-10 -96.29 2.7 53.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.653 0.263 . . . . 10.0 111.095 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -146.33 106.08 3.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.931 0.396 . . . . 10.0 110.916 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 1.3 m -59.58 -29.28 67.84 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.915 -0.584 . . . . 10.0 112.027 -178.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -56.99 -36.14 70.02 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.405 -0.361 . . . . 10.0 111.161 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 87.7 p -69.87 -33.57 72.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.866 0.365 . . . . 10.0 111.2 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 90' ' ' PHE . . . . . 0.405 ' CZ ' ' HA ' ' C' ' 130' ' ' ALA . 18.5 t80 -74.42 -37.68 63.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.601 179.646 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -67.18 -36.41 81.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.275 -0.421 . . . . 10.0 110.242 179.378 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.93 -30.51 70.25 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.691 -0.686 . . . . 10.0 111.197 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 93' ' ' ILE . . . . . 0.619 HD12 ' HB3' ' C' ' 80' ' ' CYS . 50.6 mm -59.5 -39.5 79.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.747 179.737 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -61.87 -32.75 73.14 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.507 -179.64 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 33.5 m-70 -77.32 -44.92 27.84 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.685 -0.688 . . . . 10.0 110.122 179.572 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 96' ' ' TYR . . . . . 0.514 ' HE1' ' HD2' ' C' ' 68' ' ' ARG . 28.1 m-85 -58.04 -44.74 87.57 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.888 -0.596 . . . . 10.0 111.405 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -57.19 -47.4 81.35 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.819 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -68.56 -34.17 75.35 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.433 -0.349 . . . . 10.0 111.353 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -67.2 -46.55 73.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.554 -0.294 . . . . 10.0 110.416 179.388 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 83.3 mt -59.23 -46.5 92.18 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 CA-C-O 120.974 0.416 . . . . 10.0 110.71 179.616 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 32.3 mtmt -60.66 -31.9 71.11 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.382 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 -73.96 -47.62 36.21 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.867 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 47.1 t -67.67 -40.7 84.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 112.165 0.432 . . . . 10.0 112.165 -178.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 21.4 mtpp -82.99 -16.69 46.21 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 111.831 0.308 . . . . 10.0 111.831 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 13.6 t0 57.42 53.45 7.5 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.422 0.629 . . . . 10.0 110.465 -179.232 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 29.4 m -154.02 153.86 32.69 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.978 -0.555 . . . . 10.0 110.527 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -96.8 -26.72 15.02 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.407 0.622 . . . . 10.0 109.675 179.153 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -99.73 96.79 7.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.609 -0.723 . . . . 10.0 110.387 -179.626 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 24.1 t -123.28 128.96 25.09 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 116.156 -0.475 . . . . 10.0 109.97 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_exo -65.48 99.83 0.38 Allowed 'Trans proline' 0 C--O 1.233 0.26 0 C-N-CA 122.595 2.197 . . . . 10.0 111.557 179.163 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 111' ' ' MET . . . . . 0.762 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 60.8 mtm -133.66 151.03 51.57 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.52 -179.558 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 85.1 t -133.76 134.22 56.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.655 -0.498 . . . . 10.0 109.655 179.444 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 113' ' ' LEU . . . . . 0.462 ' HG ' ' HE2' ' C' ' 82' ' ' PHE . 14.3 tp -90.11 114.89 26.9 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.971 -0.752 . . . . 10.0 108.971 179.748 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 114' ' ' VAL . . . . . 0.438 ' HB ' HG22 ' C' ' 81' ' ' VAL . 79.5 t -119.79 123.08 70.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 121.07 0.462 . . . . 10.0 111.595 -178.566 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -102.99 111.17 3.9 Favored Glycine 0 N--CA 1.448 -0.56 0 N-CA-C 110.697 -0.961 . . . . 10.0 110.697 179.022 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -88.46 168.13 12.87 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.494 0.147 . . . . 10.0 111.367 -178.72 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 117' ' ' LYS . . . . . 0.565 ' HG2' ' C6 ' ' C' ' 201' ' ' GSP . 85.2 mttt 61.3 37.92 16.78 Favored 'General case' 0 N--CA 1.462 0.144 0 O-C-N 123.658 0.599 . . . . 10.0 112.132 179.112 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 118' ' ' CYS . . . . . 0.505 ' HA ' HD11 ' C' ' 84' ' ' ILE . 65.6 m -73.51 -5.21 38.68 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.871 0.367 . . . . 10.0 111.799 179.602 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -91.03 -11.78 37.77 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.429 179.155 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 120' ' ' LEU . . . . . 0.493 HD12 ' HB3' ' C' ' 117' ' ' LYS . 17.3 mt -80.9 136.8 50.54 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.9 179.545 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -74.59 169.79 21.76 Favored 'Trans proline' 0 C--O 1.238 0.48 0 C-N-CA 122.877 2.385 . . . . 10.0 112.354 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 4.3 m 57.64 59.23 3.33 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.502 -0.772 . . . . 10.0 111.486 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 123' ' ' ARG . . . . . 0.451 HH11 ' HD3' ' C' ' 123' ' ' ARG . 0.3 OUTLIER -75.73 120.45 21.13 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.397 0.618 . . . . 10.0 111.138 179.669 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -73.84 -39.89 63.69 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.751 -0.659 . . . . 10.0 110.293 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 49.4 t -97.08 120.2 46.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.467 179.671 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 126' ' ' ASP . . . . . 0.41 ' O ' ' HG2' ' C' ' 129' ' ' GLN . 73.9 m-20 -81.9 159.03 23.75 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.022 179.433 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 127' ' ' THR . . . . . 0.567 HG23 ' HE2' ' C' ' 141' ' ' PHE . 3.6 m -67.44 -41.26 85.03 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.26 -0.427 . . . . 10.0 111.159 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 128' ' ' LYS . . . . . 0.941 ' HB2' ' HA ' ' B' ' 47' ' ' ASP . 17.8 pttp -55.53 -46.49 77.04 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.791 -0.641 . . . . 10.0 112.478 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 129' ' ' GLN . . . . . 0.41 ' HG2' ' O ' ' C' ' 126' ' ' ASP . 16.8 pt20 -69.29 -32.44 71.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.696 0.284 . . . . 10.0 111.067 -179.581 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 130' ' ' ALA . . . . . 0.405 ' HA ' ' CZ ' ' C' ' 90' ' ' PHE . . . -70.59 -42.64 70.77 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.103 -0.702 . . . . 10.0 109.103 179.174 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -71.35 -25.47 62.4 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.548 -0.751 . . . . 10.0 110.145 179.31 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -66.44 -45.83 78.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.471 0.653 . . . . 10.0 109.545 178.395 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 39.4 tp -69.63 -37.36 76.79 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.703 -0.681 . . . . 10.0 109.942 179.082 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.32 -33.95 76.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.598 -0.728 . . . . 10.0 109.999 179.012 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 20.2 ttm105 -65.54 -33.46 75.97 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.0 -0.546 . . . . 10.0 110.156 179.425 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 47.1 m -76.91 -32.25 57.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.742 178.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 11.2 m-30 -79.6 -30.75 41.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.011 -0.54 . . . . 10.0 111.933 -179.282 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 85.54 23.7 45.96 Favored Glycine 0 N--CA 1.447 -0.6 0 N-CA-C 110.449 -1.061 . . . . 10.0 110.449 -179.103 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 43.3 pt -117.63 154.54 50.84 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 115.367 -0.416 . . . . 10.0 110.462 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_endo -78.82 153.7 26.01 Favored 'Trans proline' 0 C--O 1.236 0.425 0 C-N-CA 122.455 2.103 . . . . 10.0 112.141 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 141' ' ' PHE . . . . . 0.567 ' HE2' HG23 ' C' ' 127' ' ' THR . 83.9 t80 -121.27 137.11 54.83 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.518 -0.765 . . . . 10.0 109.649 179.429 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 40.8 mt -133.51 133.62 57.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.959 0.409 . . . . 10.0 111.111 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -90.72 118.15 29.92 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 108.099 -1.074 . . . . 10.0 108.099 178.051 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 40.8 p -126.02 173.62 9.04 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.761 0.791 . . . . 10.0 113.004 -178.072 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 8.6 t -157.16 115.32 3.2 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.256 -1.338 . . . . 10.0 108.107 179.006 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 146' ' ' ALA . . . . . 0.438 ' HB3' ' N7 ' ' C' ' 201' ' ' GSP . . . -70.99 -28.78 64.68 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.827 0.346 . . . . 10.0 110.621 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 147' ' ' LYS . . . . . 0.422 ' HD2' ' N2 ' ' C' ' 201' ' ' GSP . 52.7 mttt -63.66 -45.75 88.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.93 -0.577 . . . . 10.0 111.658 179.469 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 16.1 p -95.77 -7.82 36.1 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.76 0.314 . . . . 10.0 111.523 -179.482 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 149' ' ' ARG . . . . . 0.44 ' HG3' ' HB3' ' C' ' 22' ' ' GLN . 21.5 ttt-85 61.21 31.13 19.55 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.771 -0.65 . . . . 10.0 112.231 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -96.24 126.33 41.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.477 -0.328 . . . . 10.0 110.7 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 85.59 -9.53 67.69 Favored Glycine 0 C--O 1.23 -0.153 0 CA-C-N 115.91 -0.586 . . . . 10.0 112.834 179.194 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 59.8 t -60.22 -42.56 90.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 111.848 0.314 . . . . 10.0 111.848 -179.148 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -65.06 -51.82 59.26 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.941 0.401 . . . . 10.0 111.407 -179.204 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 154' ' ' ASP . . . . . 0.592 ' HA ' ' HB2' ' C' ' 157' ' ' TYR . 7.4 t70 -65.18 -28.4 69.37 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.962 0.727 . . . . 10.0 112.962 -178.538 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -55.86 -45.37 78.48 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.973 0.416 . . . . 10.0 109.967 179.126 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 156' ' ' PHE . . . . . 0.491 ' CD2' HD22 ' C' ' 23' ' ' LEU . 77.1 m-85 -76.45 -39.9 52.08 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.157 179.118 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 157' ' ' TYR . . . . . 0.592 ' HB2' ' HA ' ' C' ' 154' ' ' ASP . 4.2 m-85 -56.66 -52.87 63.26 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.967 -0.561 . . . . 10.0 110.669 179.521 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 158' ' ' THR . . . . . 0.647 ' HA ' ' HE ' ' C' ' 161' ' ' ARG . 31.6 m -63.93 -35.74 81.65 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.828 -0.624 . . . . 10.0 111.76 -179.752 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 159' ' ' LEU . . . . . 0.534 HD22 HD13 ' C' ' 79' ' ' LEU . 53.0 tp -61.11 -42.01 97.74 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.435 -0.58 . . . . 10.0 109.435 178.372 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 54.9 t -67.49 -36.77 77.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.432 -0.804 . . . . 10.0 109.963 178.576 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 161' ' ' ARG . . . . . 0.647 ' HE ' ' HA ' ' C' ' 158' ' ' THR . 0.1 OUTLIER -60.56 -41.86 95.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.301 179.134 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -60.77 -42.53 97.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.163 179.059 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 163' ' ' ILE . . . . . 0.528 HD11 ' HA3' ' C' ' 77' ' ' GLY . 60.0 mt -63.43 -49.79 81.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.474 179.318 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 22.0 ttm180 -60.63 -42.79 97.58 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.572 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 165' ' ' LYS . . . . . 0.755 ' HD3' ' HB2' ' B' ' 135' ' ' ARG . 43.2 mtmt -63.68 -41.73 98.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.455 -0.338 . . . . 10.0 110.464 179.113 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 25.3 t-80 -61.07 -45.6 94.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.728 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -72.56 -28.87 63.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.802 0.334 . . . . 10.0 111.887 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -78.38 -42.63 29.78 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.349 0.595 . . . . 10.0 110.13 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -82.08 -5.92 58.77 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.872 -0.604 . . . . 10.0 110.906 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 1.2 tmm? -63.65 -40.28 96.47 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.125 0.488 . . . . 10.0 110.714 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -72.82 -5.36 37.57 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.867 -0.606 . . . . 10.0 110.524 179.405 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 172' ' ' LYS . . . . . 0.546 ' HA ' ' HB2' ' C' ' 176' ' ' LYS . 46.7 mtpt -102.42 -8.28 21.26 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.384 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 173' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -63.71 -40.47 96.86 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.172 0.51 . . . . 10.0 110.453 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 174' ' ' GLY . . . . . 0.527 ' O ' ' H61' ' A' ' 414' ' ' PCW . . . -87.78 -93.86 0.98 Allowed Glycine 0 N--CA 1.443 -0.865 0 CA-C-N 115.564 -0.744 . . . . 10.0 111.588 179.527 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 175' ' ' LYS . . . . . 0.581 ' HB2' ' H5 ' ' A' ' 415' ' ' 17F . 46.2 tttm -133.18 116.07 15.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 122.752 -0.264 . . . . 10.0 110.903 -179.599 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 176' ' ' LYS . . . . . 0.546 ' HB2' ' HA ' ' C' ' 172' ' ' LYS . 18.2 tptm -127.89 -78.5 0.57 Allowed 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.836 -0.345 . . . . 10.0 111.749 179.5 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 177' ' ' LYS . . . . . . . . . . . . . 7.6 mttm -126.06 168.43 13.99 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.838 0.351 . . . . 10.0 111.004 -179.206 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 178' ' ' LYS . . . . . . . . . . . . . 47.4 mttt -88.29 12.26 14.44 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.888 -0.597 . . . . 10.0 110.912 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 179' ' ' LYS . . . . . . . . . . . . . 52.9 tttp -96.06 129.48 43.33 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.929 0.395 . . . . 10.0 110.745 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 180' ' ' LYS . . . . . 0.469 ' HB2' ' HE2' ' C' ' 180' ' ' LYS . 1.9 mppt? -132.87 149.24 52.27 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.445 -0.946 . . . . 10.0 108.445 179.763 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 9.2 t -79.9 -35.17 38.32 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.219 0.533 . . . . 10.0 109.648 179.332 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 182' ' ' LYS . . . . . . . . . . . . . 46.7 mttt -78.21 106.24 9.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.589 -0.732 . . . . 10.0 110.084 179.722 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.41 144.57 35.82 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.682 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 184' ' ' LYS . . . . . 0.479 ' HG3' ' O4 ' ' B' ' 209' ' ' 17F . 10.2 pttp . . . . . 0 C--O 1.236 0.342 0 O-C-N 123.132 0.27 . . . . 10.0 110.514 179.574 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 401' ' ' PCW . . . . . 1.058 H252 ' C28' ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 402' ' ' PCW . . . . . 0.851 H162 H211 ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 403' ' ' PCW . . . . . 1.094 H141 H322 ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 404' ' ' PCW . . . . . 1.094 H322 H141 ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 405' ' ' PCW . . . . . 1.0 ' C36' H441 ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 406' ' ' PCW . . . . . 1.033 H222 ' H31' ' B' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 407' ' ' PCW . . . . . 1.147 H212 ' C17' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 408' ' ' PCW . . . . . 1.042 H152 H211 ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 409' ' ' PCW . . . . . 1.193 ' C19' H142 ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 410' ' ' PCW . . . . . 1.069 H372 H321 ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 411' ' ' PCW . . . . . 1.042 H211 H152 ' A' ' 408' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 412' ' ' PCW . . . . . 1.061 H371 ' H39' ' A' ' 410' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 413' ' ' PCW . . . . . 1.145 H341 H132 ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 414' ' ' PCW . . . . . 1.077 H141 ' H33' ' A' ' 415' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 415' ' ' 17F . . . . . 1.077 ' H33' H141 ' A' ' 414' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 416' ' ' 17F . . . . . 0.889 ' H54' H281 ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 417' ' ' PCW . . . . . 1.073 H452 ' C42' ' A' ' 421' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 418' ' ' PCW . . . . . 1.065 ' C42' H231 ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 419' ' ' PCW . . . . . 1.044 ' C40' H441 ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 420' ' ' PCW . . . . . 1.059 H362 H412 ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 421' ' ' PCW . . . . . 1.073 ' C42' H452 ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 422' ' ' 17F . . . . . 1.032 ' H6 ' ' C14' ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 601' ' ' PCW . . . . . 0.984 H421 H461 ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 602' ' ' PCW . . . . . 0.972 H172 H212 ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 603' ' ' PCW . . . . . 1.024 ' C4 ' ' H2 ' ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 604' ' ' PCW . . . . . 1.005 H461 H282 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 605' ' ' PCW . . . . . 1.047 ' O1P' ' H52' ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 606' ' ' PCW . . . . . 0.979 H182 H142 ' D' ' 606' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 607' ' ' PCW . . . . . 1.095 ' H12' H372 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 608' ' ' PCW . . . . . 1.004 H431 ' H34' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 609' ' ' PCW . . . . . 1.019 ' H2 ' ' H61' ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 610' ' ' PCW . . . . . 0.981 ' H12' ' H6 ' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 611' ' ' PCW . . . . . 1.076 H462 H261 ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 612' ' ' PCW . . . . . 1.051 H222 H461 ' D' ' 620' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 613' ' ' PCW . . . . . 1.102 H212 H172 ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 614' ' ' PCW . . . . . 1.138 H272 ' H50' ' B' ' 209' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 615' ' ' PCW . . . . . 1.058 ' C28' H252 ' A' ' 401' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 616' ' ' PCW . . . . . 1.019 ' H61' ' H2 ' ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 617' ' ' PCW . . . . . 1.061 H441 H232 ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 618' ' ' PCW . . . . . 1.059 H412 H362 ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 619' ' ' PCW . . . . . 1.072 H131 H151 ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 620' ' ' PCW . . . . . 1.051 H461 H222 ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 621' ' ' PCW . . . . . 1.065 H272 ' H35' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 622' ' ' PCW . . . . . 1.032 ' C14' ' H6 ' ' A' ' 422' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 623' ' ' PCW . . . . . 1.088 H322 ' C36' ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 624' ' ' PCW . . . . . 0.998 H241 ' H20' ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 625' ' ' PCW . . . . . 1.079 ' C41' H412 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 626' ' ' PCW . . . . . 1.095 H372 ' H12' ' D' ' 607' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 627' ' ' PCW . . . . . 1.072 H151 H131 ' D' ' 619' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 628' ' ' 17F . . . . . 1.074 ' H57' H19A ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 629' ' ' 17F . . . . . 0.955 ' H62' H261 ' D' ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 630' ' ' 17F . . . . . 1.023 H10A H362 ' A' ' 421' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 631' ' ' 17F . . . . . 0.99 ' H41' H382 ' D' ' 619' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 632' ' ' 17F . . . . . 1.065 ' H35' H272 ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 201' ' ' GSP . . . . . 0.747 H5'2 ' CD1' ' B' ' 32' ' ' TYR . . . . . . . . 0 O4'--C1' 1.437 1.942 2 C1'-O4'-C4' 101.324 -9.196 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 202' ' ' ' MG' . . . . . 0.621 'MG ' ' O3G' ' B' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 203' ' ' PCW . . . . . 1.0 H332 ' H35' ' B' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 204' ' ' PCW . . . . . 0.973 H231 H381 ' A' ' 401' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 205' ' ' PCW . . . . . 1.071 H332 ' H73' ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 206' ' ' PCW . . . . . 1.017 H332 H321 ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 207' ' ' PCW . . . . . 1.08 H132 H332 ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 208' ' ' PCW . . . . . 1.076 H261 H462 ' D' ' 611' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 209' ' ' 17F . . . . . 1.138 ' H50' H272 ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 210' ' ' 17F . . . . . 1.055 ' C12' ' H41' ' B' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 211' ' ' 17F . . . . . 1.124 ' H50' H212 ' C' ' 216' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 201' ' ' GSP . . . . . 0.993 H5'2 ' HD1' ' C' ' 32' ' ' TYR . . . . . . . . 0 O4'--C1' 1.438 1.966 2 O4'-C1'-N19 113.416 5.216 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 202' ' ' ' MG' . . . . . 0.629 'MG ' ' O3G' ' C' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 203' ' ' PCW . . . . . 1.066 H151 H362 ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 204' ' ' PCW . . . . . 1.053 H212 H452 ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 205' ' ' PCW . . . . . 0.965 ' H32' H152 ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 206' ' ' PCW . . . . . 1.068 H171 H362 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 207' ' ' PCW . . . . . 1.063 H441 ' H33' ' C' ' 213' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 208' ' ' PCW . . . . . 1.068 H362 H171 ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 209' ' ' PCW . . . . . 1.062 ' O4P' ' H32' ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 210' ' ' PCW . . . . . 1.076 ' O31' H352 ' C' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 211' ' ' PCW . . . . . 1.037 ' H63' H321 ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 212' ' ' PCW . . . . . 1.048 H421 ' H12' ' C' ' 215' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 213' ' ' 17F . . . . . 1.063 ' H33' H441 ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 214' ' ' 17F . . . . . 0.906 ' H34' H283 ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 215' ' ' 17F . . . . . 1.048 ' H12' H421 ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 216' ' ' PCW . . . . . 1.124 H212 ' H50' ' B' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 217' ' ' PCW . . . . . 1.067 ' C35' ' H20' ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 218' ' ' 17F . . . . . 1.162 H18A ' O7 ' ' C' ' 218' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 219' ' ' 17F . . . . . 0.959 ' H59' H12A ' C' ' 219' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? . . . . . 0 CA--C 1.524 -0.027 0 CA-C-O 120.786 0.327 . . . . 10.0 111.142 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 97.3 mt -66.92 -36.87 83.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.282 -0.417 . . . . 10.0 111.243 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 95.6 mt -69.62 -45.33 68.77 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.336 -0.393 . . . . 10.0 111.154 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -66.8 -44.0 82.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.395 -0.366 . . . . 10.0 111.277 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 206' ' ' ASN . . . . . 0.405 ' O ' HG23 ' A' ' 210' ' ' VAL . 1.0 OUTLIER -64.49 -34.51 78.37 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.998 0.428 . . . . 10.0 110.498 -179.883 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 68.9 t90 -71.13 -32.88 69.54 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.807 -0.633 . . . . 10.0 109.93 178.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -59.28 -44.41 92.48 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.418 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 17.1 m -65.11 -34.72 79.07 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.061 -0.518 . . . . 10.0 111.043 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 210' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 206' ' ' ASN . 61.6 t -70.88 -38.57 73.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 109.643 -0.503 . . . . 10.0 109.643 179.077 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 27.9 m -61.06 -43.7 98.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.748 -0.66 . . . . 10.0 111.203 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.8 -29.01 68.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.37 0.605 . . . . 10.0 110.104 179.163 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 51.1 m -67.14 -41.04 86.74 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.87 -0.789 . . . . 10.0 108.87 178.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -62.95 -38.59 91.67 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.697 -0.683 . . . . 10.0 110.591 178.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 1.4 m -60.55 -51.42 69.5 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.123 -0.49 . . . . 10.0 109.95 179.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 39.0 mmtt -62.57 -38.94 92.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.468 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 57.1 mt -62.07 -45.92 91.39 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.11 -0.496 . . . . 10.0 110.235 179.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 218' ' ' ARG . . . . . 0.406 ' HA ' HD12 ' A' ' 221' ' ' LEU . 61.0 mtt180 -67.85 -36.82 81.0 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.31 -0.404 . . . . 10.0 110.611 179.359 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -66.18 -30.85 71.4 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.145 179.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -87.35 -26.08 23.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.15 179.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 221' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 218' ' ' ARG . 13.0 mt -60.51 -38.94 85.99 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.951 179.029 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -51.79 -62.7 5.36 Favored Glycine 0 CA--C 1.52 0.345 0 O-C-N 123.697 0.623 . . . . 10.0 111.831 179.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -56.3 -36.77 97.36 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 122.354 2.036 . . . . 10.0 110.797 177.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 14.9 t -58.73 -53.09 52.08 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.17 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.93 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 225' ' ' THR . . . . . 0.47 ' O ' ' HB2' ' A' ' 229' ' ' TRP . 0.7 OUTLIER -62.29 -37.34 85.13 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.777 0.322 . . . . 10.0 110.591 179.394 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -62.49 -54.68 36.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.581 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -62.79 -48.39 79.34 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.633 -0.712 . . . . 10.0 111.474 -179.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -58.7 -47.74 83.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.336 -0.393 . . . . 10.0 111.953 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 229' ' ' TRP . . . . . 0.47 ' HB2' ' O ' ' A' ' 225' ' ' THR . 1.1 m-90 -68.07 -35.94 79.02 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.781 -0.19 . . . . 10.0 111.273 179.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -59.75 -45.89 90.82 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.301 -0.629 . . . . 10.0 109.301 178.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 231' ' ' ASN . . . . . 0.564 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 81.1 m-20 -73.34 -36.54 66.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.787 -0.642 . . . . 10.0 110.362 179.352 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 232' ' ' LEU . . . . . 0.448 ' HB2' ' HA ' ' A' ' 229' ' ' TRP . 17.2 mt -61.55 -39.2 90.25 Favored 'General case' 0 CA--C 1.515 -0.379 0 N-CA-C 109.719 -0.474 . . . . 10.0 109.719 179.217 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -64.49 -31.17 72.26 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-N 115.542 -0.754 . . . . 10.0 110.122 178.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 234' ' ' LYS . . . . . 0.564 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 71.1 mttt -73.94 -36.63 64.67 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.074 -0.713 . . . . 10.0 109.074 178.561 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.11 -48.82 74.64 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 108.665 -0.865 . . . . 10.0 108.665 178.04 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -67.95 -35.48 78.47 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.545 -0.752 . . . . 10.0 109.928 179.246 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 237' ' ' GLU . . . . . 0.459 ' HA ' ' HD2' ' A' ' 240' ' ' ARG . 43.2 tt0 -58.72 -44.37 90.41 Favored 'General case' 0 CA--C 1.521 -0.16 0 N-CA-C 108.916 -0.772 . . . . 10.0 108.916 177.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -62.28 -44.6 97.45 Favored Glycine 0 N--CA 1.443 -0.89 0 N-CA-C 110.363 -1.095 . . . . 10.0 110.363 178.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 239' ' ' LEU . . . . . 0.409 ' HA ' ' HB2' ' A' ' 242' ' ' GLU . 93.5 mt -66.1 -30.28 70.76 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.824 0.345 . . . . 10.0 110.552 179.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 240' ' ' ARG . . . . . 0.459 ' HD2' ' HA ' ' A' ' 237' ' ' GLU . 62.0 mtt180 -69.04 -40.06 78.82 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.378 -0.601 . . . . 10.0 109.378 178.469 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 241' ' ' GLN . . . . . 0.432 HE21 ' HG2' ' A' ' 237' ' ' GLU . 74.5 mt-30 -73.52 -38.48 65.3 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.492 -0.929 . . . . 10.0 108.492 178.507 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 242' ' ' GLU . . . . . 0.409 ' HB2' ' HA ' ' A' ' 239' ' ' LEU . 11.2 mt-10 -66.44 -28.63 68.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.169 -0.923 . . . . 10.0 110.561 178.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 243' ' ' MET . . . . . 0.671 ' HG3' HD12 ' A' ' 247' ' ' LEU . 45.5 ttm -57.02 -32.66 66.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.487 -0.324 . . . . 10.0 110.617 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 244' ' ' SER . . . . . 0.578 ' HA ' ' HG3' ' A' ' 248' ' ' GLU . 3.5 m -70.01 1.21 4.81 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.805 179.253 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 245' ' ' LYS . . . . . 0.825 ' HA ' ' HG3' ' A' ' 249' ' ' GLU . 35.0 mttm -131.62 -59.61 0.95 Allowed 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.142 -0.481 . . . . 10.0 109.941 178.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 246' ' ' ASP . . . . . 0.632 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 1.6 t0 -55.1 -37.3 66.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.675 -0.693 . . . . 10.0 112.741 -178.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 247' ' ' LEU . . . . . 0.671 HD12 ' HG3' ' A' ' 243' ' ' MET . 40.0 mt -109.02 -26.09 10.36 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.194 0.442 . . . . 10.0 112.194 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 248' ' ' GLU . . . . . 0.578 ' HG3' ' HA ' ' A' ' 244' ' ' SER . 21.4 mm-40 -82.32 -49.21 10.29 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.068 0.395 . . . . 10.0 112.068 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 249' ' ' GLU . . . . . 0.825 ' HG3' ' HA ' ' A' ' 245' ' ' LYS . 64.2 mt-10 -66.9 -33.44 75.6 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.999 0.428 . . . . 10.0 109.878 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 250' ' ' VAL . . . . . 0.656 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 2.5 p -66.47 -34.89 73.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.749 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 68.1 mttt -79.78 -19.81 47.73 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.32 0.581 . . . . 10.0 110.781 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 252' ' ' ALA . . . . . 0.5 ' HA ' ' NE2' ' A' ' 255' ' ' GLN . . . -84.94 -43.73 13.77 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.084 -0.71 . . . . 10.0 109.084 178.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 46.3 mttt -76.16 -24.88 54.84 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.529 -0.76 . . . . 10.0 111.071 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 254' ' ' VAL . . . . . 0.656 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 1.2 p -61.42 -24.53 33.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.611 0.243 . . . . 10.0 111.177 179.625 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 255' ' ' GLN . . . . . 0.586 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 38.1 mt-30 -60.06 -65.07 2.32 Favored Pre-proline 0 CA--C 1.535 0.402 0 CA-C-N 116.362 -0.381 . . . . 10.0 110.413 179.429 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 256' ' ' PRO . . . . . 0.586 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 36.7 Cg_endo -66.6 -30.15 43.02 Favored 'Trans proline' 0 C--N 1.355 0.916 0 C-N-CA 121.453 1.436 . . . . 10.0 111.55 178.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 5.4 m-30 -62.93 -52.88 61.32 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.897 0.379 . . . . 10.0 110.245 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 258' ' ' LEU . . . . . 0.509 ' HG ' HG22 ' A' ' 254' ' ' VAL . 21.1 mt -71.65 -39.21 70.5 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 116.15 -0.477 . . . . 10.0 111.25 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -61.09 -37.93 84.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.755 0.312 . . . . 10.0 110.798 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -67.69 -52.05 42.36 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 116.208 -0.451 . . . . 10.0 109.935 178.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 261' ' ' PHE . . . . . 0.524 ' O ' ' HB2' ' A' ' 265' ' ' TRP . 4.3 m-85 -61.94 -42.23 98.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.813 -0.63 . . . . 10.0 111.341 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -65.36 -39.2 92.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.398 -0.364 . . . . 10.0 110.773 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 263' ' ' LYS . . . . . 0.501 ' O ' ' HG3' ' A' ' 267' ' ' GLU . 2.4 ttmp? -64.29 -52.09 60.3 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.501 -0.555 . . . . 10.0 109.501 179.265 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 264' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -63.67 -35.06 79.3 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.676 -0.693 . . . . 10.0 110.51 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 265' ' ' TRP . . . . . 0.524 ' HB2' ' O ' ' A' ' 261' ' ' PHE . 0.3 OUTLIER -65.27 -37.16 86.33 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 115.927 -0.579 . . . . 10.0 110.306 179.2 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 266' ' ' GLN . . . . . 0.441 ' O ' ' HG3' ' A' ' 270' ' ' GLU . 58.5 mt-30 -62.76 -44.95 94.85 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.87 -0.789 . . . . 10.0 108.87 178.577 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 267' ' ' GLU . . . . . 0.501 ' HG3' ' O ' ' A' ' 263' ' ' LYS . 16.6 mt-10 -64.76 -42.21 95.31 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 108.592 -0.892 . . . . 10.0 108.592 178.23 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 268' ' ' GLU . . . . . 0.42 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 9.8 mt-10 -54.23 -45.09 72.22 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.712 -0.676 . . . . 10.0 110.724 179.214 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 90.2 mmm -74.45 -41.66 60.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.824 -0.626 . . . . 10.0 111.067 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 270' ' ' GLU . . . . . 0.441 ' HG3' ' O ' ' A' ' 266' ' ' GLN . 28.1 mt-10 -60.49 -39.47 87.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.951 0.405 . . . . 10.0 109.988 179.358 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 71.1 mt -65.96 -42.82 89.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.739 -0.664 . . . . 10.0 109.306 178.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 272' ' ' TYR . . . . . 0.436 ' HD1' ' HA ' ' A' ' 272' ' ' TYR . 1.4 m-30 -64.95 -32.19 73.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 10.0 110.674 178.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 273' ' ' ARG . . . . . 0.413 ' O ' HG12 ' A' ' 276' ' ' VAL . 88.2 mtt180 -74.39 -35.2 63.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.562 0.696 . . . . 10.0 109.602 178.202 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.59 -22.18 63.53 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.147 -0.933 . . . . 10.0 110.099 179.181 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 275' ' ' LYS . . . . . 0.624 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 11.8 mptt -99.11 -34.66 10.3 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.912 -0.585 . . . . 10.0 111.034 179.138 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 276' ' ' VAL . . . . . 0.413 HG12 ' O ' ' A' ' 273' ' ' ARG . 3.0 p -55.74 -37.66 47.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 112.697 0.628 . . . . 10.0 112.697 -178.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 277' ' ' GLU . . . . . 0.409 ' HB2' ' CD ' ' A' ' 278' ' ' PRO . 17.4 mt-10 -66.1 -60.74 6.48 Favored Pre-proline 0 CA--C 1.535 0.395 0 N-CA-C 112.096 0.406 . . . . 10.0 112.096 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 278' ' ' PRO . . . . . 0.455 ' O ' ' HG3' ' A' ' 282' ' ' GLU . 19.1 Cg_endo -59.98 -39.5 70.29 Favored 'Trans proline' 0 C--N 1.355 0.899 0 C-N-CA 121.988 1.792 . . . . 10.0 111.656 179.158 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 279' ' ' LEU . . . . . 0.713 HD22 ' HE3' ' D' ' 495' ' ' LYS . 24.3 mt -66.3 -40.34 89.93 Favored 'General case' 0 CA--C 1.521 -0.172 0 CA-C-N 116.746 -0.206 . . . . 10.0 110.677 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -65.13 -39.03 92.48 Favored 'General case' 0 CA--C 1.518 -0.254 0 N-CA-C 109.517 -0.549 . . . . 10.0 109.517 178.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -64.22 -43.66 94.3 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.517 -0.549 . . . . 10.0 109.517 178.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 282' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' A' ' 278' ' ' PRO . 50.5 mt-10 -61.62 -44.31 97.23 Favored 'General case' 0 C--O 1.231 0.108 0 N-CA-C 109.385 -0.598 . . . . 10.0 109.385 178.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 75.4 mt -63.26 -45.04 93.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.454 -0.793 . . . . 10.0 110.367 179.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -61.54 -55.16 34.03 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.12 -0.491 . . . . 10.0 111.11 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -61.91 -39.72 92.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.39 -0.368 . . . . 10.0 110.818 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -65.29 -47.37 80.8 Favored Glycine 0 N--CA 1.448 -0.545 0 N-CA-C 111.263 -0.735 . . . . 10.0 111.263 178.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -62.2 -36.01 80.62 Favored 'General case' 0 CA--C 1.519 -0.231 0 N-CA-C 110.067 -0.346 . . . . 10.0 110.067 179.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 288' ' ' ARG . . . . . 0.453 ' O ' ' HB2' ' A' ' 292' ' ' HIS . 90.7 mtt180 -56.53 -52.27 65.41 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.084 -0.507 . . . . 10.0 109.752 178.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -67.7 -46.71 71.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.829 -0.623 . . . . 10.0 111.159 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 290' ' ' LYS . . . . . 0.452 ' O ' ' HG ' ' A' ' 294' ' ' LEU . 69.7 mttt -59.99 -43.26 95.27 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.114 0.413 . . . . 10.0 112.114 -179.424 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 50.0 mt -75.66 -38.41 58.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.649 -0.251 . . . . 10.0 111.38 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 292' ' ' HIS . . . . . 0.458 ' O ' ' HG2' ' A' ' 296' ' ' GLU . 33.0 t-80 -61.46 -42.13 98.29 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.847 -0.427 . . . . 10.0 109.847 179.441 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -61.95 -40.3 95.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.718 -0.674 . . . . 10.0 109.298 178.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 294' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 290' ' ' LYS . 48.7 mt -63.87 -36.69 84.74 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.753 -0.658 . . . . 10.0 110.304 179.074 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -64.25 -40.2 95.52 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.113 0.482 . . . . 10.0 110.256 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 296' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 292' ' ' HIS . 5.1 mm-40 -66.33 -13.79 61.07 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.789 -0.641 . . . . 10.0 110.36 179.11 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . 0.401 ' HB3' HD12 ' A' ' 301' ' ' LEU . 25.5 mmtp -118.32 13.36 13.63 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.521 0.677 . . . . 10.0 109.833 178.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 298' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 294' ' ' LEU . 0.5 OUTLIER -115.47 -40.67 3.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.547 -0.751 . . . . 10.0 110.549 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 299' ' ' SER . . . . . 0.503 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 0.7 OUTLIER -72.95 -62.34 1.32 Allowed Pre-proline 0 C--N 1.322 -0.587 0 N-CA-C 112.112 0.412 . . . . 10.0 112.112 179.883 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 300' ' ' PRO . . . . . 0.503 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 34.9 Cg_endo -66.15 -46.93 3.87 Favored 'Trans proline' 0 C--N 1.356 0.969 0 C-N-CA 121.609 1.539 . . . . 10.0 112.119 -179.28 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 301' ' ' LEU . . . . . 0.789 HD13 ' HG3' ' D' ' 473' ' ' LYS . 67.3 mt -69.0 -23.1 64.06 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.049 179.477 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -75.65 -46.14 15.49 Favored Glycine 0 C--O 1.225 -0.428 0 N-CA-C 109.668 -1.373 . . . . 10.0 109.668 178.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -62.59 -39.32 93.35 Favored 'General case' 0 CA--C 1.517 -0.312 0 N-CA-C 109.336 -0.616 . . . . 10.0 109.336 177.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -63.58 -44.21 94.73 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.434 -0.803 . . . . 10.0 109.445 178.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 6.5 tpt -63.82 -39.98 95.53 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.572 -0.529 . . . . 10.0 109.572 178.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 59.1 mtt180 -66.0 -38.04 87.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.002 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 307' ' ' ASP . . . . . 0.665 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 0.3 OUTLIER -66.07 -43.26 87.9 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.84 -0.618 . . . . 10.0 109.659 179.199 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 20.0 mmt180 -68.98 -31.18 69.85 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.928 -0.578 . . . . 10.0 109.807 178.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 309' ' ' ALA . . . . . 0.579 ' HA ' ' HB2' ' A' ' 312' ' ' HIS . . . -66.88 -32.81 74.31 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.791 -0.641 . . . . 10.0 109.378 178.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 310' ' ' ARG . . . . . 0.665 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 74.5 mtt180 -59.09 -48.06 82.99 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 109.012 -0.736 . . . . 10.0 109.012 178.497 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -70.49 -35.27 73.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.826 -0.625 . . . . 10.0 109.77 178.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 312' ' ' HIS . . . . . 0.579 ' HB2' ' HA ' ' A' ' 309' ' ' ALA . 0.3 OUTLIER -53.57 -49.68 67.2 Favored 'General case' 0 N--CA 1.462 0.139 0 N-CA-C 109.26 -0.645 . . . . 10.0 109.26 178.467 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 313' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 309' ' ' ALA . 24.1 t -79.35 -38.44 19.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.408 -0.815 . . . . 10.0 111.115 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -59.56 -45.93 90.37 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 120.814 0.34 . . . . 10.0 111.705 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -64.46 -39.23 93.41 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.24 -0.652 . . . . 10.0 109.24 178.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 19.8 mt -64.69 -46.46 82.32 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-N 115.767 -0.651 . . . . 10.0 109.873 179.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 12.0 mtm105 -62.04 -43.13 99.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.1 0.476 . . . . 10.0 110.445 179.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 93.5 m -62.9 -28.6 70.16 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.556 -0.747 . . . . 10.0 110.445 179.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 319' ' ' HIS . . . . . 0.526 ' CE1' ' HB2' ' D' ' 458' ' ' ASP . 0.1 OUTLIER -88.28 -36.38 16.73 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.861 -0.608 . . . . 10.0 110.792 179.267 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 320' ' ' LEU . . . . . 0.504 ' HA ' ' HB2' ' A' ' 323' ' ' TYR . 78.1 mt -72.67 -26.65 61.7 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.907 0.336 . . . . 10.0 111.907 -179.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 321' ' ' ALA . . . . . 0.413 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -55.57 -58.9 13.05 Favored Pre-proline 0 CA--C 1.534 0.363 0 C-N-CA 121.236 -0.186 . . . . 10.0 111.464 178.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 322' ' ' PRO . . . . . 0.413 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 38.6 Cg_endo -70.1 -28.63 23.39 Favored 'Trans proline' 0 C--N 1.357 0.999 0 C-N-CA 121.577 1.518 . . . . 10.0 111.14 178.351 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 323' ' ' TYR . . . . . 0.504 ' HB2' ' HA ' ' A' ' 320' ' ' LEU . 8.9 m-30 -64.97 -51.94 59.0 Favored 'General case' 0 C--O 1.227 -0.125 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.816 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 324' ' ' SER . . . . . 0.419 ' HA ' ' HB2' ' A' ' 327' ' ' LEU . 22.6 p -63.85 -36.54 84.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.536 -0.302 . . . . 10.0 110.552 179.522 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -59.45 -52.7 64.48 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.514 -0.55 . . . . 10.0 109.514 178.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -70.38 -24.56 62.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.612 -0.722 . . . . 10.0 111.024 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . 0.419 ' HB2' ' HA ' ' A' ' 324' ' ' SER . 13.3 mt -66.65 -39.08 88.08 Favored 'General case' 0 N--CA 1.462 0.125 0 N-CA-C 108.906 -0.775 . . . . 10.0 108.906 178.18 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 53.8 mtt180 -67.88 -35.85 79.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.67 -0.695 . . . . 10.0 109.156 178.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -68.92 -41.8 77.66 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.361 -0.836 . . . . 10.0 109.002 178.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 330' ' ' ARG . . . . . 0.743 HH21 ' HB2' ' D' ' 447' ' ' GLU . 27.1 mtt180 -61.79 -46.48 89.37 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 115.677 -0.692 . . . . 10.0 109.264 177.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 7.2 mt -58.9 -46.12 88.62 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 115.352 -0.84 . . . . 10.0 110.01 179.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -60.18 -46.35 90.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.427 -0.351 . . . . 10.0 110.391 179.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -61.25 -45.61 93.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.883 -0.599 . . . . 10.0 110.837 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 334' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 334' ' ' ARG . 33.3 mtt-85 -67.41 -45.72 75.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.027 -0.533 . . . . 10.0 111.063 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 46.1 mt -60.62 -42.29 96.56 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 116.58 -0.282 . . . . 10.0 110.523 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -62.39 -45.67 92.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.156 179.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -63.44 -48.66 76.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.091 -0.504 . . . . 10.0 109.738 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 80.8 mt -64.27 -22.39 66.93 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.744 -0.662 . . . . 10.0 111.045 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -82.76 -43.93 16.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.637 -0.256 . . . . 10.0 110.341 178.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 73.9 mt-10 -62.79 -56.6 15.98 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.5 -0.926 . . . . 10.0 108.5 177.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -62.92 -39.58 94.98 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 114.756 -1.111 . . . . 10.0 109.686 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 342' ' ' GLY . . . . . 0.509 ' O ' ' HG ' ' A' ' 346' ' ' LEU . . . -60.45 -44.03 98.11 Favored Glycine 0 N--CA 1.449 -0.499 0 CA-C-N 115.631 -0.713 . . . . 10.0 111.954 179.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -61.15 -41.6 99.52 Favored Glycine 0 N--CA 1.449 -0.461 0 N-CA-C 110.969 -0.852 . . . . 10.0 110.969 178.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -65.01 -44.91 87.64 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.712 -0.477 . . . . 10.0 109.712 178.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 345' ' ' ARG . . . . . 0.441 ' HG2' ' OD1' ' D' ' 429' ' ' ASN . 30.9 mtm180 -59.79 -43.21 94.54 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.422 179.114 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 346' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 342' ' ' GLY . 48.0 mt -63.31 -47.3 82.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.906 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.63 -44.87 95.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.957 0.408 . . . . 10.0 110.435 179.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 348' ' ' GLU . . . . . 0.584 ' OE2' ' HB2' ' D' ' 429' ' ' ASN . 12.5 tt0 -66.42 -43.15 86.51 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.71 -0.677 . . . . 10.0 110.557 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -66.8 -34.84 78.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.582 -0.281 . . . . 10.0 110.729 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 3.8 m170 -64.5 -45.44 87.29 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.921 -0.77 . . . . 10.0 108.921 178.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -63.61 -41.84 98.27 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.272 -0.64 . . . . 10.0 109.272 178.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 10.8 ttmm -59.23 -48.41 81.73 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.53 -0.759 . . . . 10.0 110.067 178.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -62.76 -36.98 84.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.339 179.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 33.4 m -63.1 -46.17 88.62 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.244 -0.435 . . . . 10.0 109.857 179.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -67.15 -41.82 85.41 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.13 -0.486 . . . . 10.0 109.852 178.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -59.38 -38.55 80.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.9 -0.591 . . . . 10.0 110.557 178.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 30.8 mt -63.64 -37.57 87.82 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.437 -0.347 . . . . 10.0 111.183 179.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 19.7 m -62.98 -46.27 88.47 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.731 -0.47 . . . . 10.0 109.731 179.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -73.78 -29.41 62.18 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.849 179.037 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 20.3 tp -66.27 -34.63 78.43 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.952 -0.759 . . . . 10.0 108.952 178.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 50.9 m -63.08 -26.56 68.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.438 -0.801 . . . . 10.0 110.283 178.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -66.33 -28.15 68.45 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.311 -0.625 . . . . 10.0 109.311 178.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 363' ' ' LYS . . . . . 0.83 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 37.4 mtmt -91.84 -21.91 20.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.527 -0.76 . . . . 10.0 110.145 179.392 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 364' ' ' ALA . . . . . 0.462 ' HA ' HD12 ' A' ' 368' ' ' LEU . . . -87.76 -30.54 20.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.048 -0.524 . . . . 10.0 112.41 -178.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 365' ' ' LYS . . . . . 0.663 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 64.8 mttt -109.87 -72.62 0.02 OUTLIER Pre-proline 0 C--N 1.327 -0.407 0 N-CA-C 113.319 0.859 . . . . 10.0 113.319 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 366' ' ' PRO . . . . . 0.663 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 38.3 Cg_exo -58.79 -56.65 1.33 Allowed 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 122.145 1.897 . . . . 10.0 113.052 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 367' ' ' ALA . . . . . 0.83 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -60.99 -45.78 93.42 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 111.618 0.229 . . . . 10.0 111.618 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 368' ' ' LEU . . . . . 0.462 HD12 ' HA ' ' A' ' 364' ' ' ALA . 5.5 mt -63.48 -40.88 98.26 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 121.014 -0.274 . . . . 10.0 110.871 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -62.15 -44.26 97.01 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.785 -0.82 . . . . 10.0 108.785 178.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -60.72 -44.27 96.82 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.258 -0.883 . . . . 10.0 110.29 179.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 371' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 367' ' ' ALA . 94.7 mt -63.89 -44.4 93.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.753 -0.658 . . . . 10.0 110.559 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 372' ' ' ARG . . . . . 0.587 ' O ' ' HG ' ' A' ' 376' ' ' LEU . 60.8 mtt180 -60.13 -45.35 93.33 Favored 'General case' 0 CA--C 1.519 -0.227 0 N-CA-C 109.672 -0.492 . . . . 10.0 109.672 179.259 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -61.74 -36.72 81.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.795 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -76.71 -28.11 59.77 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.931 -0.652 . . . . 10.0 112.285 179.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 51.6 mt -79.6 -23.62 42.56 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 111.801 0.297 . . . . 10.0 111.801 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 376' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' A' ' 372' ' ' ARG . 75.7 mt -56.04 -57.77 20.21 Favored Pre-proline 0 CA--C 1.535 0.393 0 N-CA-C 111.973 0.36 . . . . 10.0 111.973 179.489 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -66.48 -27.18 46.83 Favored 'Trans proline' 0 C--N 1.357 0.994 0 C-N-CA 121.825 1.683 . . . . 10.0 110.53 178.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 20.3 t -63.95 -46.72 93.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 109.094 -0.706 . . . . 10.0 109.094 178.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 68.9 mt -64.94 -37.11 86.57 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 109.289 -0.634 . . . . 10.0 109.289 178.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -58.55 -50.16 74.79 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.693 -0.685 . . . . 10.0 110.615 179.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 2.1 p -69.41 -41.18 76.73 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.094 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -60.26 -37.35 80.16 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 116.303 -0.408 . . . . 10.0 110.669 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 78.3 mttt -59.87 -44.55 94.11 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 109.663 -0.495 . . . . 10.0 109.663 178.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 41.4 t -64.3 -43.44 97.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.002 179.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 37.2 m -63.15 -42.59 99.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.866 -0.606 . . . . 10.0 111.373 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -66.94 -42.82 84.66 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.519 -0.31 . . . . 10.0 110.492 179.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 76.6 mt -62.89 -48.02 80.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.981 -0.554 . . . . 10.0 111.253 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 388' ' ' SER . . . . . 0.433 ' HB2' ' HE2' ' D' ' 594' ' ' LYS . 8.8 p -65.22 -36.3 83.71 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.485 -0.325 . . . . 10.0 110.786 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -64.6 -42.35 95.63 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 116.299 -0.41 . . . . 10.0 110.216 179.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 45.9 mt -60.3 -41.93 94.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.656 -0.702 . . . . 10.0 109.766 179.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -69.27 -43.18 74.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.857 -0.61 . . . . 10.0 110.152 178.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -56.69 -47.05 80.76 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.359 -0.382 . . . . 10.0 111.163 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -64.1 -43.17 96.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.739 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 22.9 m -66.71 -41.53 87.82 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.384 -0.371 . . . . 10.0 111.643 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -63.62 -36.24 83.18 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 113.377 0.881 . . . . 10.0 113.377 -178.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 396' ' ' LYS . . . . . 0.418 ' HG2' ' HB2' ' D' ' 587' ' ' ALA . 0.7 OUTLIER -99.66 -29.51 12.62 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 114.351 1.241 . . . . 10.0 114.351 -177.853 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 84.2 mt -89.39 -17.19 29.29 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.683 0.623 . . . . 10.0 112.683 -178.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 50.1 t30 . . . . . 0 C--N 1.324 -0.542 0 C-N-CA 120.989 -0.284 . . . . 10.0 111.129 -179.503 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 3.2 mm? . . . . . 0 C--O 1.234 0.288 0 CA-C-O 121.137 0.494 . . . . 10.0 110.453 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' D' D ' 400' ' ' LYS . . . . . 0.435 ' HE2' ' HB2' ' D' ' 400' ' ' LYS . 4.1 mppt? -106.51 31.55 5.13 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.664 -0.698 . . . . 10.0 109.879 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 72.1 mt -59.4 -44.29 92.83 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.837 -0.62 . . . . 10.0 111.201 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 97.4 mt -60.66 -35.68 76.84 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.551 -0.295 . . . . 10.0 111.184 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -73.86 -37.79 64.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.232 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -72.12 -41.09 67.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.156 -0.474 . . . . 10.0 110.804 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 15.7 m95 -66.14 -26.66 67.54 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.57 179.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -64.25 -46.15 85.02 Favored 'General case' 0 CA--C 1.515 -0.379 0 N-CA-C 109.863 -0.421 . . . . 10.0 109.863 179.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.94 -42.01 79.27 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.2 -0.455 . . . . 10.0 109.816 178.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 18.3 t -67.4 -37.16 78.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.261 0.553 . . . . 10.0 110.759 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 33.5 m -67.51 -34.77 77.8 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.307 0.575 . . . . 10.0 109.533 178.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 13.0 m -67.81 -46.65 71.3 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.626 -0.715 . . . . 10.0 109.961 178.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 3.0 p -64.3 -37.32 87.09 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-O 120.802 0.334 . . . . 10.0 110.468 178.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 412' ' ' PHE . . . . . 0.413 ' HD1' ' HA ' ' D' ' 412' ' ' PHE . 3.0 m-30 -62.52 -40.98 98.5 Favored 'General case' 0 C--O 1.231 0.12 0 N-CA-C 108.97 -0.752 . . . . 10.0 108.97 177.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 413' ' ' SER . . . . . 0.605 ' HA ' ' HD2' ' D' ' 416' ' ' ARG . 63.9 m -66.67 -35.89 81.22 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.865 -0.607 . . . . 10.0 109.389 178.363 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 36.6 mmtt -63.12 -35.67 81.03 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.736 -0.666 . . . . 10.0 109.801 177.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 96.0 mt -67.16 -38.08 84.86 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.096 -0.705 . . . . 10.0 109.096 178.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 416' ' ' ARG . . . . . 0.605 ' HD2' ' HA ' ' D' ' 413' ' ' SER . 95.9 mtt180 -66.05 -37.55 86.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.63 -0.714 . . . . 10.0 109.719 178.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 69.0 mt-10 -61.19 -32.78 72.53 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.045 178.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -82.21 -45.9 14.45 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.56 -0.746 . . . . 10.0 110.038 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 41.2 mt -47.46 -42.09 21.88 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 115.789 -0.641 . . . . 10.0 112.656 -179.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -52.0 -73.71 0.36 Allowed Glycine 0 CA--C 1.522 0.524 0 C-N-CA 121.268 -0.491 . . . . 10.0 112.235 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -60.77 -35.4 89.1 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.428 2.086 . . . . 10.0 112.148 178.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 3.1 t -58.91 -45.75 91.67 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 O-C-N 123.178 0.299 . . . . 10.0 111.424 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 18.3 p -69.9 -33.11 71.76 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.975 0.417 . . . . 10.0 110.317 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -63.99 -50.12 69.78 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.766 -0.652 . . . . 10.0 109.995 178.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -71.54 -30.58 66.06 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.246 -0.434 . . . . 10.0 110.453 178.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -62.64 -44.59 95.89 Favored 'General case' 0 C--O 1.224 -0.279 0 N-CA-C 109.042 -0.725 . . . . 10.0 109.042 178.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 1.6 m0 -64.96 -38.28 90.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.634 -0.712 . . . . 10.0 110.311 178.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 428' ' ' ASP . . . . . 0.403 ' O ' ' HG3' ' D' ' 432' ' ' LYS . 3.1 t70 -65.83 -41.32 91.92 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.136 -0.691 . . . . 10.0 109.136 179.06 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 429' ' ' ASN . . . . . 0.584 ' HB2' ' OE2' ' A' ' 348' ' ' GLU . 16.1 t30 -66.67 -42.82 85.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.364 -0.835 . . . . 10.0 109.868 178.505 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 70.6 mt -58.61 -43.41 89.6 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.16 179.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -65.44 -36.57 84.32 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.36 178.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 432' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' D' ' 428' ' ' ASP . 41.6 mttp -64.76 -48.25 75.22 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.37 -0.604 . . . . 10.0 109.37 178.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -64.54 -47.69 77.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.831 -0.622 . . . . 10.0 111.573 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 434' ' ' THR . . . . . 0.526 ' O ' ' HB2' ' D' ' 438' ' ' ARG . 19.8 p -61.89 -38.8 89.69 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.767 0.284 . . . . 10.0 111.767 -179.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -72.77 -37.77 67.54 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.925 -0.398 . . . . 10.0 109.925 178.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 436' ' ' GLY . . . . . 0.467 ' O ' ' HG2' ' D' ' 439' ' ' GLN . . . -63.31 -49.75 68.17 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 110.318 -1.113 . . . . 10.0 110.318 178.277 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 437' ' ' LEU . . . . . 0.441 HD23 ' OE1' ' D' ' 440' ' ' GLU . 39.2 mt -67.58 -26.09 66.1 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 109.917 -0.401 . . . . 10.0 109.917 178.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 438' ' ' ARG . . . . . 0.526 ' HB2' ' O ' ' D' ' 434' ' ' THR . 25.0 ttm180 -63.25 -48.46 78.14 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.797 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 439' ' ' GLN . . . . . 0.467 ' HG2' ' O ' ' D' ' 436' ' ' GLY . 16.1 pt20 -64.86 -33.3 75.68 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 121.075 0.464 . . . . 10.0 110.011 179.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 440' ' ' GLU . . . . . 0.441 ' OE1' HD23 ' D' ' 437' ' ' LEU . 59.3 mt-10 -72.28 -38.26 68.85 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 109.17 -0.678 . . . . 10.0 109.17 179.238 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 58.9 mmm -66.87 -42.02 86.32 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 115.543 -0.753 . . . . 10.0 112.163 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.84 -48.17 80.2 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.832 -0.433 . . . . 10.0 109.832 179.263 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -63.42 -39.86 95.62 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.792 -0.64 . . . . 10.0 109.854 179.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 444' ' ' ASP . . . . . 0.419 ' HB2' ' O ' ' D' ' 440' ' ' GLU . 5.5 t70 -65.19 -54.79 24.26 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 115.837 -0.62 . . . . 10.0 110.828 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 73.3 mt -59.51 -46.56 88.48 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.164 0.431 . . . . 10.0 112.164 -179.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -60.49 -48.06 83.42 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.42 -0.354 . . . . 10.0 110.947 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 447' ' ' GLU . . . . . 0.743 ' HB2' HH21 ' A' ' 330' ' ' ARG . 63.8 mt-10 -67.65 -32.45 73.15 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.815 179.294 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 2.1 t -58.44 -38.87 72.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.777 0.323 . . . . 10.0 110.266 179.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 85.1 mttt -65.26 -31.1 72.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.026 0.441 . . . . 10.0 109.971 179.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -97.05 10.56 38.94 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.89 -0.595 . . . . 10.0 111.397 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 451' ' ' LYS . . . . . 0.437 ' O ' ' HB2' ' D' ' 455' ' ' TYR . 59.2 mttm -124.86 -45.67 1.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.328 -0.397 . . . . 10.0 111.274 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 73.7 t -70.42 -42.97 78.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.463 -0.335 . . . . 10.0 110.99 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -57.31 -57.17 26.83 Favored Pre-proline 0 CA--C 1.536 0.431 0 N-CA-C 112.01 0.374 . . . . 10.0 112.01 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -63.43 -27.48 70.76 Favored 'Trans proline' 0 C--N 1.356 0.954 0 C-N-CA 122.107 1.872 . . . . 10.0 111.482 178.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 455' ' ' TYR . . . . . 0.437 ' HB2' ' O ' ' D' ' 451' ' ' LYS . 9.9 t80 -71.76 -39.77 69.76 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.196 -0.668 . . . . 10.0 109.196 178.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 21.8 mt -66.59 -38.63 87.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.676 -0.693 . . . . 10.0 109.154 178.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -65.26 -45.73 83.38 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.75 -0.659 . . . . 10.0 109.344 178.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 458' ' ' ASP . . . . . 0.526 ' HB2' ' CE1' ' A' ' 319' ' ' HIS . 11.9 t70 -60.29 -44.45 95.38 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.373 -0.83 . . . . 10.0 109.533 178.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -66.77 -43.46 83.97 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.438 -0.801 . . . . 10.0 110.536 179.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -58.18 -41.31 83.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.739 0.304 . . . . 10.0 110.624 179.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 461' ' ' LYS . . . . . 0.42 ' O ' ' HG3' ' D' ' 465' ' ' GLU . 67.5 mttt -64.28 -42.72 96.29 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.772 -0.455 . . . . 10.0 109.772 178.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.42 -39.09 85.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.3 178.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 38.9 m0 -65.42 -40.71 93.67 Favored 'General case' 0 CA--C 1.517 -0.323 0 N-CA-C 109.428 -0.582 . . . . 10.0 109.428 178.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -60.03 -50.38 73.96 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 109.18 -0.674 . . . . 10.0 109.18 178.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 465' ' ' GLU . . . . . 0.464 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 42.6 mt-10 -61.89 -45.47 93.61 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 116.154 -0.476 . . . . 10.0 109.917 179.13 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 22.7 tp10 -56.33 -51.23 69.02 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.661 -0.7 . . . . 10.0 110.321 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 73.7 mtm -65.75 -41.46 92.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.881 -0.6 . . . . 10.0 111.118 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -59.6 -48.16 82.76 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.187 -0.671 . . . . 10.0 109.187 178.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 469' ' ' LEU . . . . . 0.556 ' O ' ' HB2' ' D' ' 473' ' ' LYS . 91.3 mt -61.56 -31.18 71.21 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.559 -0.746 . . . . 10.0 110.551 179.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 16.5 m-30 -71.35 -36.06 71.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.157 0.504 . . . . 10.0 110.048 178.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 74.6 mtt85 -76.4 -17.57 59.29 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.416 0.627 . . . . 10.0 109.637 178.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -101.04 1.49 39.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.434 -0.803 . . . . 10.0 110.647 178.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 473' ' ' LYS . . . . . 0.789 ' HG3' HD13 ' A' ' 301' ' ' LEU . 0.1 OUTLIER -134.26 -71.06 0.5 Allowed 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.043 179.59 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 51.1 t -54.66 -44.53 70.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.054 -0.521 . . . . 10.0 111.675 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 475' ' ' GLU . . . . . 0.48 ' O ' ' HB2' ' D' ' 478' ' ' ARG . 25.5 mt-10 -62.4 -59.0 14.11 Favored Pre-proline 0 CA--C 1.535 0.4 0 N-CA-C 113.036 0.754 . . . . 10.0 113.036 179.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -63.59 -36.08 55.44 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 121.539 1.493 . . . . 10.0 111.397 178.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 477' ' ' LEU . . . . . 0.497 ' HB2' ' O ' ' D' ' 473' ' ' LYS . 11.3 mt -67.24 -24.22 65.79 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 116.544 -0.298 . . . . 10.0 110.374 179.015 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 478' ' ' ARG . . . . . 0.614 ' O ' ' HB2' ' D' ' 482' ' ' GLN . 22.8 mtt180 -63.07 -34.37 77.44 Favored 'General case' 0 C--O 1.224 -0.289 0 N-CA-C 108.583 -0.895 . . . . 10.0 108.583 178.281 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -74.91 -43.6 53.38 Favored 'General case' 0 N--CA 1.456 -0.175 0 N-CA-C 109.361 -0.607 . . . . 10.0 109.361 179.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.25 -41.9 98.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.329 0.585 . . . . 10.0 110.255 178.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 80.9 mt -71.96 -37.31 69.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.781 -0.645 . . . . 10.0 109.878 179.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 482' ' ' GLN . . . . . 0.614 ' HB2' ' O ' ' D' ' 478' ' ' ARG . 13.8 tt0 -66.02 -41.27 91.18 Favored 'General case' 0 C--O 1.225 -0.218 0 N-CA-C 109.562 -0.532 . . . . 10.0 109.562 179.055 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 483' ' ' GLU . . . . . 0.408 ' OE2' ' HD2' ' D' ' 486' ' ' ARG . 2.7 tp10 -65.39 -41.84 93.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.251 0.548 . . . . 10.0 109.574 179.051 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -65.25 -36.61 93.01 Favored Glycine 0 N--CA 1.444 -0.816 0 N-CA-C 109.958 -1.257 . . . . 10.0 109.958 178.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -69.04 -40.06 78.82 Favored 'General case' 0 C--O 1.224 -0.276 0 N-CA-C 109.873 -0.417 . . . . 10.0 109.873 178.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 486' ' ' ARG . . . . . 0.408 ' HD2' ' OE2' ' D' ' 483' ' ' GLU . 59.1 mtt180 -62.71 -45.8 91.07 Favored 'General case' 0 CA--C 1.516 -0.354 0 N-CA-C 109.553 -0.536 . . . . 10.0 109.553 179.022 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -63.16 -41.07 99.2 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 115.952 -0.567 . . . . 10.0 109.594 178.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 488' ' ' LYS . . . . . 0.509 ' O ' ' HG ' ' D' ' 492' ' ' LEU . 82.5 tttt -63.01 -43.06 99.8 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 115.389 -0.823 . . . . 10.0 109.573 178.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 489' ' ' LEU . . . . . 0.417 ' O ' ' HG3' ' D' ' 493' ' ' GLN . 71.0 mt -64.07 -42.67 96.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.914 -0.585 . . . . 10.0 110.049 178.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -62.49 -45.01 94.97 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.257 -0.646 . . . . 10.0 109.257 178.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -59.57 -41.0 89.2 Favored 'General case' 0 CA--C 1.518 -0.254 0 N-CA-C 109.155 -0.683 . . . . 10.0 109.155 178.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 492' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' D' ' 488' ' ' LYS . 93.0 mt -66.31 -38.48 87.83 Favored 'General case' 0 C--O 1.221 -0.402 0 CA-C-N 115.542 -0.754 . . . . 10.0 110.185 178.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 493' ' ' GLN . . . . . 0.417 ' HG3' ' O ' ' D' ' 489' ' ' LEU . 94.0 mt-30 -61.64 -42.9 99.55 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.338 0.59 . . . . 10.0 110.112 179.205 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -72.17 0.89 8.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.539 -0.755 . . . . 10.0 111.334 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 495' ' ' LYS . . . . . 0.713 ' HE3' HD22 ' A' ' 279' ' ' LEU . 43.2 mttp -116.84 -45.94 2.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.156 -0.474 . . . . 10.0 110.09 179.385 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 95.6 mt -67.46 -13.71 62.27 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.073 -0.512 . . . . 10.0 112.328 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 497' ' ' SER . . . . . 0.457 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 14.3 m -87.5 -61.98 0.23 Allowed Pre-proline 0 C--N 1.326 -0.442 0 C-N-CA 120.806 -0.358 . . . . 10.0 111.015 179.053 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 498' ' ' PRO . . . . . 0.457 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 24.3 Cg_endo -63.71 -48.82 4.94 Favored 'Trans proline' 0 C--N 1.356 0.923 0 C-N-CA 121.73 1.62 . . . . 10.0 110.66 179.217 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 499' ' ' LEU . . . . . 0.457 ' HB2' ' O ' ' D' ' 495' ' ' LYS . 98.3 mt -70.1 -27.84 64.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.423 -0.353 . . . . 10.0 110.209 179.332 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -67.23 -48.88 56.46 Favored Glycine 0 N--CA 1.45 -0.369 0 N-CA-C 110.607 -0.997 . . . . 10.0 110.607 179.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -69.58 -35.09 75.04 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.545 -0.539 . . . . 10.0 109.545 178.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 502' ' ' GLU . . . . . 0.488 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 34.4 tt0 -65.62 -45.76 81.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.013 -0.54 . . . . 10.0 109.978 179.005 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 503' ' ' MET . . . . . 0.459 ' HA ' ' HD2' ' D' ' 506' ' ' ARG . 14.1 tmm? -63.31 -38.69 92.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.958 -0.564 . . . . 10.0 109.528 179.271 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 64.5 mtt180 -64.64 -39.28 93.41 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.06 -0.718 . . . . 10.0 109.06 178.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 505' ' ' ASP . . . . . 0.761 ' HA ' ' HD2' ' D' ' 508' ' ' ARG . 2.4 t70 -68.91 -34.96 76.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.013 -0.539 . . . . 10.0 109.557 178.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 506' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' D' ' 502' ' ' GLU . 49.5 mtt180 -63.09 -47.08 84.41 Favored 'General case' 0 CA--C 1.52 -0.174 0 N-CA-C 107.28 -1.378 . . . . 10.0 107.28 176.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -59.21 -40.41 85.73 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 115.369 -0.832 . . . . 10.0 109.358 178.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 508' ' ' ARG . . . . . 0.761 ' HD2' ' HA ' ' D' ' 505' ' ' ASP . 94.6 mtt180 -57.66 -52.94 63.39 Favored 'General case' 0 C--O 1.22 -0.464 0 N-CA-C 108.852 -0.796 . . . . 10.0 108.852 177.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -61.14 -30.78 70.59 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.82 -0.627 . . . . 10.0 111.619 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 510' ' ' HIS . . . . . 0.561 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 9.8 m-70 -73.35 -56.75 4.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.457 179.15 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 51.8 t -62.83 -39.83 86.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.734 -179.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 512' ' ' ASP . . . . . 0.552 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 30.4 t70 -60.86 -41.49 96.01 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.089 -0.505 . . . . 10.0 109.74 179.162 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -64.49 -43.37 94.33 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 108.515 -0.92 . . . . 10.0 108.515 178.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 514' ' ' LEU . . . . . 0.597 ' HA ' ' HB2' ' D' ' 517' ' ' HIS . 91.6 mt -58.24 -32.56 68.45 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.968 -0.56 . . . . 10.0 111.239 179.113 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 515' ' ' ARG . . . . . 0.552 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 73.2 mtt180 -63.86 -25.56 68.22 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.993 0.425 . . . . 10.0 110.203 178.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.22 7.56 21.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.656 -0.702 . . . . 10.0 110.086 179.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 517' ' ' HIS . . . . . 0.597 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 24.7 m170 -118.05 -67.05 1.02 Allowed 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.642 -179.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 75.3 mt -67.9 -54.44 18.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.661 -0.7 . . . . 10.0 111.797 -179.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 519' ' ' ALA . . . . . 0.689 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -49.55 -58.81 8.03 Favored Pre-proline 0 CA--C 1.535 0.388 0 N-CA-C 112.977 0.732 . . . . 10.0 112.977 -179.308 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 520' ' ' PRO . . . . . 0.689 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 36.0 Cg_exo -61.46 -30.41 86.71 Favored 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 121.751 1.634 . . . . 10.0 111.492 179.275 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -71.45 -42.62 67.95 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 120.764 -0.375 . . . . 10.0 110.662 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 1.3 p -64.87 -26.96 68.55 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.47 -0.567 . . . . 10.0 109.47 178.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 523' ' ' ASP . . . . . 0.587 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 12.6 t0 -71.12 -40.56 71.37 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 108.568 -0.901 . . . . 10.0 108.568 178.583 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -66.78 -40.4 88.17 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 108.291 -1.003 . . . . 10.0 108.291 177.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 525' ' ' LEU . . . . . 0.436 ' O ' ' HG ' ' D' ' 529' ' ' LEU . 67.1 mt -63.4 -30.94 71.99 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 114.94 -1.027 . . . . 10.0 110.669 179.347 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 526' ' ' ARG . . . . . 0.587 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 60.3 mtt180 -59.62 -40.88 89.04 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 109.675 -0.491 . . . . 10.0 109.675 178.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -68.82 -41.06 79.14 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.633 -0.712 . . . . 10.0 110.25 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 528' ' ' ARG . . . . . 0.632 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 82.6 mtt180 -67.7 -41.29 83.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.534 -0.757 . . . . 10.0 110.27 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 529' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' D' ' 525' ' ' LEU . 79.0 mt -63.44 -38.7 92.15 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.006 -0.543 . . . . 10.0 109.609 178.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -63.58 -37.63 88.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 10.0 109.985 178.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -71.72 -43.58 65.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.813 -0.63 . . . . 10.0 110.248 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 532' ' ' ARG . . . . . 0.517 ' O ' ' HG ' ' D' ' 536' ' ' LEU . 13.8 ttm180 -64.21 -46.55 83.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.769 -0.65 . . . . 10.0 109.856 179.221 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 533' ' ' LEU . . . . . 0.557 HD23 HD12 ' D' ' 536' ' ' LEU . 31.7 mt -63.17 -31.98 73.26 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.048 178.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -64.27 -41.98 96.67 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 109.231 -0.655 . . . . 10.0 109.231 178.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -66.73 -39.9 88.14 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 109.151 -0.685 . . . . 10.0 109.151 178.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 536' ' ' LEU . . . . . 0.557 HD12 HD23 ' D' ' 533' ' ' LEU . 84.1 mt -65.81 -32.0 73.29 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.877 -0.602 . . . . 10.0 110.284 179.102 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -79.43 -40.89 28.87 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.399 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -65.88 -58.55 5.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.969 -0.56 . . . . 10.0 110.606 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 48.5 m-20 -68.1 -35.56 78.36 Favored 'General case' 0 CA--C 1.511 -0.524 0 N-CA-C 109.571 -0.529 . . . . 10.0 109.571 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 540' ' ' GLY . . . . . 0.562 ' O ' ' HG ' ' D' ' 544' ' ' LEU . . . -63.57 -45.63 94.21 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.764 -0.731 . . . . 10.0 111.516 179.234 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -62.07 -42.23 99.72 Favored Glycine 0 C--N 1.334 0.455 0 N-CA-C 110.768 -0.933 . . . . 10.0 110.768 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -64.43 -42.69 95.87 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 108.925 -0.769 . . . . 10.0 108.925 178.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 543' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' D' ' 543' ' ' ARG . 55.5 mtt85 -63.87 -35.65 81.34 Favored 'General case' 0 C--O 1.217 -0.648 0 CA-C-N 115.616 -0.72 . . . . 10.0 110.648 179.181 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 544' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' D' ' 540' ' ' GLY . 84.3 mt -61.99 -39.23 91.47 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.97 -0.752 . . . . 10.0 108.97 178.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -69.8 -38.57 76.68 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.531 -0.914 . . . . 10.0 108.531 178.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -64.41 -44.03 92.5 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.686 -0.688 . . . . 10.0 109.73 178.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -59.39 -48.27 82.26 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 115.728 -0.669 . . . . 10.0 109.254 178.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 6.7 m170 -62.38 -43.62 98.4 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.843 179.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -63.76 -52.71 59.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.511 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -30.19 71.25 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.729 0.3 . . . . 10.0 110.558 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -66.89 -45.41 78.1 Favored 'General case' 0 CA--C 1.513 -0.469 0 N-CA-C 109.733 -0.469 . . . . 10.0 109.733 178.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -69.56 -39.77 77.19 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 109.911 -0.403 . . . . 10.0 109.911 179.399 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -61.12 -52.4 65.04 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.988 -0.551 . . . . 10.0 109.61 178.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 554' ' ' HIS . . . . . 0.48 ' O ' ' HG ' ' D' ' 558' ' ' LEU . 7.8 t-160 -62.75 -37.4 86.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.566 -0.743 . . . . 10.0 110.181 179.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 44.0 tp -57.48 -45.28 85.0 Favored 'General case' 0 C--O 1.237 0.418 0 N-CA-C 109.853 -0.425 . . . . 10.0 109.853 178.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 10.9 m -62.78 -38.62 91.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.828 -0.623 . . . . 10.0 109.868 178.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 3.0 m -70.89 -37.4 73.01 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.767 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 558' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' D' ' 554' ' ' HIS . 92.3 mt -64.53 -50.93 65.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.764 -0.653 . . . . 10.0 110.534 179.45 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 2.2 p -65.04 -32.45 74.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.912 0.387 . . . . 10.0 110.116 179.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -63.52 -21.79 66.53 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.525 -0.762 . . . . 10.0 109.673 178.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.98 -45.24 5.48 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.757 -0.656 . . . . 10.0 109.767 179.274 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -56.19 -43.53 78.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.185 -0.461 . . . . 10.0 112.185 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 563' ' ' LYS . . . . . 0.535 ' O ' ' HG2' ' D' ' 567' ' ' GLU . 85.1 mttt -56.18 -64.28 2.5 Favored Pre-proline 0 CA--C 1.533 0.307 0 N-CA-C 112.237 0.458 . . . . 10.0 112.237 -179.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -68.18 -37.09 15.06 Favored 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 122.36 2.04 . . . . 10.0 113.197 -179.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -60.21 -49.61 76.94 Favored 'General case' 0 C--O 1.222 -0.387 0 C-N-CA 121.243 -0.183 . . . . 10.0 110.967 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 19.2 mt -63.52 -38.07 89.74 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.882 -0.327 . . . . 10.0 110.916 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 567' ' ' GLU . . . . . 0.535 ' HG2' ' O ' ' D' ' 563' ' ' LYS . 81.6 mm-40 -62.91 -52.65 62.26 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 108.956 -0.757 . . . . 10.0 108.956 178.372 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.89 -44.65 94.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.597 -0.729 . . . . 10.0 110.814 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 35.2 mt -59.3 -47.05 86.84 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.134 -0.484 . . . . 10.0 110.539 179.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 74.0 mtt180 -65.63 -40.58 92.7 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.89 0.376 . . . . 10.0 110.54 179.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -66.4 -17.94 65.07 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.864 -0.607 . . . . 10.0 111.218 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -102.6 -35.81 3.7 Favored Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.757 -0.735 . . . . 10.0 111.774 179.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 573' ' ' LEU . . . . . 0.566 ' HA ' HG12 ' D' ' 576' ' ' VAL . 84.2 mt -71.43 -37.96 71.42 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 111.722 0.268 . . . . 10.0 111.722 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 574' ' ' LEU . . . . . 0.406 ' O ' ' HG2' ' D' ' 578' ' ' GLU . 20.5 mt -56.2 -59.43 11.9 Favored Pre-proline 0 CA--C 1.535 0.401 0 N-CA-C 112.038 0.385 . . . . 10.0 112.038 179.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.53 -34.79 32.22 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 121.94 1.76 . . . . 10.0 111.974 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 576' ' ' VAL . . . . . 0.566 HG12 ' HA ' ' D' ' 573' ' ' LEU . 0.3 OUTLIER -66.99 -35.28 74.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 120.918 -0.313 . . . . 10.0 110.409 179.62 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 577' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' D' ' 577' ' ' LEU . 22.7 mt -67.3 -41.34 85.55 Favored 'General case' 0 CA--C 1.516 -0.336 0 N-CA-C 109.471 -0.566 . . . . 10.0 109.471 178.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 578' ' ' GLU . . . . . 0.501 ' O ' HG23 ' D' ' 582' ' ' VAL . 18.6 mm-40 -61.26 -43.99 97.97 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.119 -0.697 . . . . 10.0 109.119 178.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 19.7 m -66.42 -38.32 87.18 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.416 -0.811 . . . . 10.0 109.822 178.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 4.7 m-30 -62.78 -41.52 99.29 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 116.005 -0.543 . . . . 10.0 109.898 178.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 581' ' ' LYS . . . . . 0.439 ' HD2' ' HA ' ' D' ' 578' ' ' GLU . 87.8 mttt -58.32 -39.93 80.72 Favored 'General case' 0 CA--C 1.519 -0.245 0 N-CA-C 109.719 -0.474 . . . . 10.0 109.719 178.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 582' ' ' VAL . . . . . 0.501 HG23 ' O ' ' D' ' 578' ' ' GLU . 58.1 t -61.89 -49.32 84.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.078 -0.51 . . . . 10.0 109.995 179.037 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 6.8 p -67.1 -23.87 65.88 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.576 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -80.61 -44.56 18.72 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 109.986 -0.376 . . . . 10.0 109.986 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 53.4 mt -59.74 -46.16 90.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.811 -0.631 . . . . 10.0 111.09 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 5.4 p -65.48 -34.46 78.33 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.199 0.523 . . . . 10.0 110.678 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 587' ' ' ALA . . . . . 0.418 ' HB2' ' HG2' ' A' ' 396' ' ' LYS . . . -70.21 -55.68 8.69 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.359 179.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 90.9 mt -56.49 -47.49 79.15 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.445 0.535 . . . . 10.0 112.445 -179.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 589' ' ' GLU . . . . . 0.402 ' HG2' ' HE3' ' D' ' 593' ' ' LYS . 12.4 tt0 -58.91 -47.89 83.38 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.404 -0.362 . . . . 10.0 111.425 -179.499 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -70.36 -39.49 74.61 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 111.944 0.349 . . . . 10.0 111.944 -179.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -60.61 -45.61 93.37 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.708 0.289 . . . . 10.0 111.138 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 4.9 m -64.87 -24.93 67.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.239 -0.437 . . . . 10.0 111.213 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 593' ' ' LYS . . . . . 0.402 ' HE3' ' HG2' ' D' ' 589' ' ' GLU . 95.7 mttt -82.66 -35.63 26.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.837 0.351 . . . . 10.0 110.975 179.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 594' ' ' LYS . . . . . 0.433 ' HE2' ' HB2' ' A' ' 388' ' ' SER . 11.4 mptt -71.65 -37.43 70.81 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.066 0.46 . . . . 10.0 110.071 178.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 5.4 mt -100.11 27.23 5.73 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.423 -0.808 . . . . 10.0 110.525 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 . . . . . 0 C--N 1.324 -0.512 0 CA-C-N 116.438 -0.346 . . . . 10.0 111.277 -179.755 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 N--CA 1.454 -0.253 0 CA-C-O 120.71 0.29 . . . . 10.0 110.309 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.68 131.11 42.28 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.057 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -95.95 139.01 32.77 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.484 -0.325 . . . . 10.0 110.176 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' TYR . . . . . 0.423 ' HE2' ' HB3' ' B' ' 51' ' ' CYS . 99.6 m-85 -131.71 110.89 11.21 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.512 -0.313 . . . . 10.0 110.187 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.701 ' HA ' ' HB3' ' B' ' 54' ' ' ASP . 46.2 mttm -81.47 110.98 17.39 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.163 -0.471 . . . . 10.0 110.651 -179.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.515 ' HB3' HD23 ' B' ' 159' ' ' LEU . 11.1 mt -108.93 121.35 44.92 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.72 -0.673 . . . . 10.0 110.573 -178.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 48.0 t -107.36 121.66 60.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-O 120.764 0.316 . . . . 10.0 110.808 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.642 HG12 ' HD2' ' B' ' 16' ' ' LYS . 10.3 t -93.5 111.08 24.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.637 -0.505 . . . . 10.0 109.637 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 5.3 m -117.0 159.03 17.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.122 0.487 . . . . 10.0 111.842 -179.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 155.64 -163.45 31.68 Favored Glycine 0 N--CA 1.446 -0.649 0 CA-C-N 115.42 -0.809 . . . . 10.0 111.359 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -86.93 -170.49 3.09 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.709 0.29 . . . . 10.0 110.606 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . 0.416 ' HB2' ' OH ' ' B' ' 32' ' ' TYR . 2.3 p-10 -98.43 137.08 37.64 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.487 -0.324 . . . . 10.0 111.171 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 86.06 9.66 76.6 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 121.082 -0.58 . . . . 10.0 113.058 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.431 HG23 ' HG3' ' B' ' 16' ' ' LYS . 18.8 m -81.7 -15.87 12.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.696 0.248 . . . . 10.0 111.243 -179.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 99.58 26.43 8.63 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.483 -0.865 . . . . 10.0 113.811 178.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . 0.642 ' HD2' HG12 ' B' ' 8' ' ' VAL . 31.8 mtmt -63.84 -34.74 78.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.027 0.441 . . . . 10.0 110.033 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 2.1 m -78.87 -43.39 25.12 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.809 -0.632 . . . . 10.0 109.661 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.21 -44.55 79.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.086 -0.506 . . . . 10.0 110.898 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 73.8 mt -66.12 -49.31 67.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 10.0 111.476 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 16.2 m -63.96 -45.64 88.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.443 -0.344 . . . . 10.0 111.526 -179.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 95.2 mt -63.01 -34.2 65.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.677 0.275 . . . . 10.0 110.637 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' GLN . . . . . 0.63 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 2.0 mm-40 -69.77 -16.65 63.34 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.904 0.383 . . . . 10.0 111.348 179.636 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 9.8 tp -98.41 -37.4 9.62 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.997 0.427 . . . . 10.0 110.471 179.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 49.3 mm -79.74 -58.79 3.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.73 -0.668 . . . . 10.0 111.899 -179.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -93.79 -11.8 30.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.875 0.369 . . . . 10.0 111.093 -179.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . 0.63 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 64.7 m-80 62.66 29.4 16.86 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 113.802 1.038 . . . . 10.0 113.802 178.302 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -132.44 150.15 52.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.758 0.313 . . . . 10.0 110.805 179.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -93.98 129.58 40.4 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.878 -179.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 34.9 m -90.6 -171.27 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.625 -0.716 . . . . 10.0 109.605 178.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -149.87 -39.9 0.14 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.927 0.394 . . . . 10.0 110.918 179.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -79.88 146.53 32.12 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.1 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . 0.416 ' OH ' ' HB2' ' B' ' 12' ' ' ASP . 73.6 t80 -85.81 113.05 21.66 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.134 -179.323 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -114.85 101.85 54.61 Favored Pre-proline 0 C--N 1.324 -0.507 0 N-CA-C 109.654 -0.499 . . . . 10.0 109.654 179.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -49.72 124.21 11.92 Favored 'Trans proline' 0 N--CA 1.473 0.273 0 C-N-CA 123.484 2.79 . . . . 10.0 113.103 -178.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . 0.42 ' CG2' ' HB2' ' B' ' 38' ' ' ASP . 6.0 m -101.84 115.12 29.85 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.677 -0.692 . . . . 10.0 110.003 -179.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 51.5 mm -81.77 -51.78 14.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 108.771 -0.826 . . . . 10.0 108.771 178.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -167.09 88.41 0.31 Allowed 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.35 -0.841 . . . . 10.0 110.243 179.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . 0.42 ' HB2' ' CG2' ' B' ' 35' ' ' THR . 0.6 OUTLIER -106.18 123.82 48.63 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.885 -0.598 . . . . 10.0 110.664 -179.411 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.8 p -106.91 129.21 54.77 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.6 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -124.49 140.59 52.8 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.535 -0.302 . . . . 10.0 110.893 -178.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.43 ' HD2' ' OD1' ' B' ' 54' ' ' ASP . 0.8 OUTLIER -117.82 134.56 54.8 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.785 -179.566 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 42.9 tttp -145.29 142.38 29.41 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.468 -0.333 . . . . 10.0 111.257 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -107.45 122.41 46.57 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.252 -0.431 . . . . 10.0 110.096 179.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 2.3 m -133.27 165.74 31.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.36 -0.382 . . . . 10.0 111.177 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 2.7 t -113.14 63.34 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.303 0.573 . . . . 10.0 110.315 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 22.1 mt -75.37 137.62 22.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.032 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 63.67 3.74 1.63 Allowed 'General case' 0 N--CA 1.474 0.746 0 O-C-N 123.615 0.572 . . . . 10.0 112.35 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 98.92 2.9 57.09 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.696 -0.764 . . . . 10.0 112.351 -179.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -117.99 135.99 53.81 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.884 0.342 . . . . 10.0 110.588 179.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 2.1 m -68.92 119.96 14.06 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.455 -0.572 . . . . 10.0 109.455 179.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' CYS . . . . . 0.423 ' HB3' ' HE2' ' B' ' 4' ' ' TYR . 0.1 OUTLIER -127.89 146.91 50.47 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.321 -0.399 . . . . 10.0 111.291 -178.896 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 42.6 tp -105.26 114.91 29.38 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.145 -0.687 . . . . 10.0 109.145 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 46.5 mt -85.88 124.13 32.01 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.122 -0.49 . . . . 10.0 111.666 -179.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . 0.701 ' HB3' ' HA ' ' B' ' 5' ' ' LYS . 29.2 t70 -107.23 79.96 1.37 Allowed 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.222 -1.029 . . . . 10.0 108.222 178.496 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 6.3 mt -84.11 144.38 10.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.544 -0.753 . . . . 10.0 111.265 -177.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 23.3 tp -141.99 115.17 8.82 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.213 -0.449 . . . . 10.0 111.465 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -98.64 117.99 34.34 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 109.264 -0.643 . . . . 10.0 109.264 178.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . 0.426 HG21 ' CE1' ' B' ' 71' ' ' TYR . 1.2 p -111.16 167.78 10.01 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.688 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.06 155.85 40.0 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.185 0.517 . . . . 10.0 111.585 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -138.4 40.07 1.51 Allowed Glycine 0 N--CA 1.447 -0.571 0 CA-C-N 115.992 -0.549 . . . . 10.0 111.897 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -104.96 21.4 17.12 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.632 0.253 . . . . 10.0 110.6 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 65.69 177.45 0.21 Allowed 'General case' 0 N--CA 1.462 0.175 0 N-CA-C 112.817 0.673 . . . . 10.0 112.817 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 69.88 27.42 4.51 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.948 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -120.55 31.63 6.36 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.107 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.48 -44.42 65.62 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.269 -0.878 . . . . 10.0 113.324 -178.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.58 -11.69 50.78 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 112.557 0.577 . . . . 10.0 112.557 -178.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 28.2 ttt -94.01 -41.8 9.37 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.55 -0.296 . . . . 10.0 111.648 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' ARG . . . . . 0.516 ' HA ' ' CE1' ' B' ' 71' ' ' TYR . 4.4 ttp180 -59.83 -46.6 88.74 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.377 -0.374 . . . . 10.0 111.737 -179.075 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -59.27 -23.08 62.08 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 112.487 0.551 . . . . 10.0 112.487 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -70.03 -64.89 0.8 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.312 0.486 . . . . 10.0 112.312 -178.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' TYR . . . . . 0.516 ' CE1' ' HA ' ' B' ' 68' ' ' ARG . 49.5 p90 -70.87 -17.17 62.73 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 112.455 0.539 . . . . 10.0 112.455 -178.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . 0.433 ' HG2' ' CE1' ' B' ' 78' ' ' PHE . 10.6 mtt -69.55 -23.9 63.64 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.939 0.399 . . . . 10.0 111.058 179.36 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' B' ' 73' ' ' ARG . 44.3 ttm180 -75.03 -43.23 54.81 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.101 -0.499 . . . . 10.0 110.036 179.381 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.12 -31.26 58.55 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.838 -0.619 . . . . 10.0 111.011 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -55.89 125.41 37.05 Favored Glycine 0 C--N 1.331 0.302 0 CA-C-N 116.045 -0.525 . . . . 10.0 113.135 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -92.83 -42.37 9.57 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.916 0.389 . . . . 10.0 110.193 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -120.91 135.19 10.61 Favored Glycine 0 N--CA 1.445 -0.74 0 N-CA-C 110.909 -0.876 . . . . 10.0 110.909 179.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . 0.501 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 68.1 m-85 -112.53 120.47 41.71 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.4 0.619 . . . . 10.0 112.435 -179.081 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.552 HD12 ' HB ' ' B' ' 112' ' ' VAL . 10.8 tp -100.9 112.19 24.56 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.523 -0.762 . . . . 10.0 109.39 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . 0.634 ' HB3' HD12 ' B' ' 93' ' ' ILE . 11.9 m -92.47 100.43 12.98 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.983 -0.553 . . . . 10.0 109.986 -179.421 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . 0.463 HG22 ' HB ' ' B' ' 114' ' ' VAL . 77.2 t -102.31 125.44 56.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.853 0.359 . . . . 10.0 111.07 -179.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 82' ' ' PHE . . . . . 0.454 ' HE2' ' HG ' ' B' ' 113' ' ' LEU . 38.7 p90 -133.29 163.31 29.6 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.084 -0.507 . . . . 10.0 109.817 179.334 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.44 ' HB1' ' OD1' ' B' ' 85' ' ' ASN . . . -100.69 129.74 46.64 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 110.074 -0.343 . . . . 10.0 110.074 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . 0.599 ' CD1' ' HA ' ' B' ' 118' ' ' CYS . 28.7 pt -68.55 -9.97 12.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 112.152 0.427 . . . . 10.0 112.152 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . 0.44 ' OD1' ' HB1' ' B' ' 83' ' ' ALA . 20.6 p-10 -106.52 13.09 28.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.42 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -140.34 98.66 3.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.251 -0.432 . . . . 10.0 110.179 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.3 -30.72 69.66 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.809 0.67 . . . . 10.0 112.809 -178.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 22.2 tptp -62.31 -47.68 83.19 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.968 -0.293 . . . . 10.0 111.437 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . 0.449 ' O ' HG12 ' B' ' 93' ' ' ILE . 89.7 p -61.0 -27.45 68.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.388 -0.369 . . . . 10.0 110.934 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -72.47 -40.19 67.14 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.264 179.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -75.27 -34.44 61.35 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.954 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.35 -30.53 64.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.917 -0.583 . . . . 10.0 111.812 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 93' ' ' ILE . . . . . 0.634 HD12 ' HB3' ' B' ' 80' ' ' CYS . 41.9 mm -60.66 -37.06 74.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.135 -0.484 . . . . 10.0 111.334 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 48.8 t60 -59.87 -49.0 79.41 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.054 0.454 . . . . 10.0 110.008 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -67.22 -35.19 79.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.7 -0.682 . . . . 10.0 110.398 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -62.35 -44.29 96.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.788 -0.642 . . . . 10.0 109.879 179.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 97' ' ' ARG . . . . . 0.499 ' HA ' HD12 ' B' ' 100' ' ' ILE . 20.9 ttt180 -62.68 -42.37 99.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.079 -0.51 . . . . 10.0 110.766 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -61.45 -36.76 81.29 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.714 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 99' ' ' GLN . . . . . 0.434 ' O ' HG23 ' B' ' 103' ' ' VAL . 57.6 tt0 -67.97 -40.06 83.23 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.564 -0.532 . . . . 10.0 109.564 178.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . 0.499 HD12 ' HA ' ' B' ' 97' ' ' ARG . 88.0 mt -59.98 -45.21 95.62 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-O 121.047 0.451 . . . . 10.0 110.155 179.055 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 19.5 mtmt -64.36 -22.95 67.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.309 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -84.64 -50.63 7.49 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.411 -0.359 . . . . 10.0 111.093 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 103' ' ' VAL . . . . . 0.434 HG23 ' O ' ' B' ' 99' ' ' GLN . 47.1 t -59.04 -57.28 12.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.0 -0.546 . . . . 10.0 111.941 -179.186 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -79.25 -11.66 59.95 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.41 -0.359 . . . . 10.0 111.511 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 17.3 t0 56.11 32.94 21.03 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.642 0.734 . . . . 10.0 110.545 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 12.0 m -133.16 143.57 49.32 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.582 -0.735 . . . . 10.0 111.023 -178.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -92.69 -30.34 15.61 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.189 0.519 . . . . 10.0 110.053 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -92.27 82.54 4.97 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.833 -0.621 . . . . 10.0 110.738 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . 0.415 ' HA ' ' HD3' ' B' ' 110' ' ' PRO . 70.9 t -123.06 130.7 24.49 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 115.695 -0.684 . . . . 10.0 109.69 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 110' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 34.7 Cg_exo -62.61 109.42 0.88 Allowed 'Trans proline' 0 C--O 1.234 0.301 0 C-N-CA 123.094 2.529 . . . . 10.0 112.089 179.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 111' ' ' MET . . . . . 0.501 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 22.6 mtm -133.58 149.17 51.64 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.945 -0.57 . . . . 10.0 109.687 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . 0.552 ' HB ' HD12 ' B' ' 79' ' ' LEU . 60.5 t -133.32 142.44 41.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 109.697 -0.483 . . . . 10.0 109.697 179.042 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . 0.454 ' HG ' ' HE2' ' B' ' 82' ' ' PHE . 15.6 tp -99.31 118.88 36.95 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.96 0.409 . . . . 10.0 110.506 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 114' ' ' VAL . . . . . 0.463 ' HB ' HG22 ' B' ' 81' ' ' VAL . 85.7 t -114.75 113.12 42.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.222 -0.444 . . . . 10.0 111.391 -179.279 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -93.28 97.98 2.31 Favored Glycine 0 N--CA 1.45 -0.396 0 N-CA-C 110.481 -1.048 . . . . 10.0 110.481 178.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -89.19 174.39 7.88 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.827 0.346 . . . . 10.0 111.841 -178.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 16.1 mmtt 67.75 24.77 8.21 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.608 -0.724 . . . . 10.0 111.538 179.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 118' ' ' CYS . . . . . 0.599 ' HA ' ' CD1' ' B' ' 84' ' ' ILE . 53.7 m -68.87 -13.47 62.44 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.195 -0.457 . . . . 10.0 111.618 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.03 -25.04 55.29 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.449 179.096 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . 0.495 ' HA ' ' HD3' ' B' ' 121' ' ' PRO . 85.1 mt -79.77 132.84 59.92 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.868 -0.605 . . . . 10.0 110.891 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 121' ' ' PRO . . . . . 0.495 ' HD3' ' HA ' ' B' ' 120' ' ' LEU . 2.8 Cg_exo -77.66 169.27 21.15 Favored 'Trans proline' 0 N--CA 1.459 -0.511 0 C-N-CA 123.103 2.535 . . . . 10.0 111.403 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 16.3 m 62.14 54.45 2.69 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.495 0.664 . . . . 10.0 111.732 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 123' ' ' ARG . . . . . 0.456 ' HB3' HD12 ' B' ' 84' ' ' ILE . 1.4 ptp180 -73.41 148.16 43.57 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.444 -0.798 . . . . 10.0 110.666 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -97.53 -43.73 7.12 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.538 -0.541 . . . . 10.0 109.538 178.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 47.5 t -85.1 110.04 18.84 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-N 115.745 -0.661 . . . . 10.0 109.658 179.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 126' ' ' ASP . . . . . 0.574 ' OD1' ' HG2' ' B' ' 128' ' ' LYS . 6.3 t70 -77.74 153.2 33.16 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.76 -0.654 . . . . 10.0 110.37 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . 0.42 HG23 ' HE2' ' B' ' 141' ' ' PHE . 1.8 m -60.36 -34.25 73.59 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.469 -0.332 . . . . 10.0 111.177 -179.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 128' ' ' LYS . . . . . 0.574 ' HG2' ' OD1' ' B' ' 126' ' ' ASP . 0.0 OUTLIER -59.59 -52.11 66.94 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 112.656 0.613 . . . . 10.0 112.656 -179.084 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -67.82 -34.6 77.06 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.041 0.386 . . . . 10.0 112.041 -178.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.54 -46.75 84.57 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.326 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . 0.438 ' HG3' ' HD2' ' B' ' 141' ' ' PHE . 78.7 mt-30 -73.93 -28.25 61.43 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.737 179.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -66.45 -42.11 88.12 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.088 -0.506 . . . . 10.0 110.628 179.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 34.4 tp -71.0 -44.34 66.12 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.208 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.2 -21.95 66.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.883 -0.599 . . . . 10.0 111.805 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 135' ' ' ARG . . . . . 0.473 ' HG3' ' HE2' ' C' ' 165' ' ' LYS . 37.5 ttm180 -61.62 -41.67 97.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.017 0.437 . . . . 10.0 111.283 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 19.4 m -77.82 -6.74 55.17 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.095 -0.502 . . . . 10.0 111.262 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 22.7 m-30 -100.26 -19.65 16.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.019 0.437 . . . . 10.0 110.268 179.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 77.9 16.43 79.94 Favored Glycine 0 N--CA 1.449 -0.492 0 N-CA-C 111.55 -0.62 . . . . 10.0 111.55 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 27.0 pt -106.16 149.44 38.16 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 120.674 0.273 . . . . 10.0 110.966 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -84.59 144.57 10.14 Favored 'Trans proline' 0 C--O 1.236 0.407 0 C-N-CA 122.858 2.372 . . . . 10.0 112.182 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 141' ' ' PHE . . . . . 0.438 ' HD2' ' HG3' ' B' ' 131' ' ' GLN . 49.7 t80 -121.28 122.22 39.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.782 -0.645 . . . . 10.0 110.416 178.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 5.1 mp -125.53 125.78 69.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.471 -0.332 . . . . 10.0 110.457 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -67.11 128.22 35.54 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.962 -0.384 . . . . 10.0 109.962 178.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.64 146.67 50.47 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.205 0.526 . . . . 10.0 112.327 -178.393 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 4.1 m -127.11 115.76 19.64 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.741 -0.837 . . . . 10.0 108.741 179.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -69.02 -26.21 64.88 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.867 0.692 . . . . 10.0 112.867 -178.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 147' ' ' LYS . . . . . 0.462 ' HB2' ' HE3' ' B' ' 147' ' ' LYS . 27.0 ttmt -68.25 -57.54 5.82 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.151 0.426 . . . . 10.0 112.151 -178.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 1.9 p -81.16 -16.66 52.26 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.744 0.276 . . . . 10.0 111.744 -178.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 65.83 10.88 7.22 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.656 -0.702 . . . . 10.0 112.107 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -70.18 113.84 7.75 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.494 -0.775 . . . . 10.0 111.125 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 91.16 -0.6 75.75 Favored Glycine 0 N--CA 1.447 -0.582 0 CA-C-N 115.76 -0.655 . . . . 10.0 112.803 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 91.3 t -72.44 -38.17 59.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.968 0.384 . . . . 10.0 111.434 -179.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.51 -51.32 67.88 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.165 -0.471 . . . . 10.0 111.309 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 154' ' ' ASP . . . . . 0.428 ' HA ' ' CD2' ' B' ' 157' ' ' TYR . 33.2 t70 -70.74 -23.39 62.42 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.893 -179.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -58.72 -47.53 84.25 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.834 0.349 . . . . 10.0 111.351 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -69.19 -29.49 67.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.21 0.528 . . . . 10.0 110.734 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 157' ' ' TYR . . . . . 0.428 ' CD2' ' HA ' ' B' ' 154' ' ' ASP . 16.4 m-30 -67.48 -29.0 68.33 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.821 -0.627 . . . . 10.0 111.061 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 158' ' ' THR . . . . . 0.519 ' O ' ' HG2' ' B' ' 162' ' ' GLU . 1.7 m -61.41 -47.03 87.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.982 -179.452 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 159' ' ' LEU . . . . . 0.515 HD23 ' HB3' ' B' ' 6' ' ' LEU . 14.1 tp -60.62 -40.72 92.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.934 0.397 . . . . 10.0 111.125 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 47.8 t -64.78 -39.23 84.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.029 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.64 -37.03 85.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.258 179.613 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 162' ' ' GLU . . . . . 0.519 ' HG2' ' O ' ' B' ' 158' ' ' THR . 62.9 mm-40 -62.58 -37.64 86.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.0 0.429 . . . . 10.0 110.082 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 57.9 mt -73.03 -37.7 53.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.055 -0.521 . . . . 10.0 109.96 179.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 57.7 mtt180 -68.02 -41.33 82.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.985 -0.552 . . . . 10.0 111.047 179.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 10.0 111.17 179.627 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 19.4 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.755 0.312 . . . . 10.0 110.58 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 3.4 m -111.96 134.94 53.21 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.249 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 49.4 tt0 -94.55 133.2 38.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.69 -0.232 . . . . 10.0 110.835 -179.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 4' ' ' TYR . . . . . 0.463 ' CD2' ' HB3' ' C' ' 51' ' ' CYS . 96.3 m-85 -128.22 115.56 18.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.316 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 5' ' ' LYS . . . . . 0.619 ' HA ' ' HB3' ' C' ' 54' ' ' ASP . 56.1 mttm -85.2 112.08 20.4 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.114 0.483 . . . . 10.0 110.814 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 11.8 mt -109.63 121.98 46.41 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.61 -0.723 . . . . 10.0 111.338 -178.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . 0.425 ' CG2' ' HA3' ' C' ' 75' ' ' GLY . 59.9 t -105.46 118.23 52.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.242 -0.435 . . . . 10.0 110.004 179.408 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 20.2 t -91.95 105.93 17.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 109.57 -0.53 . . . . 10.0 109.57 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 4.0 m -104.05 154.75 5.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.224 0.535 . . . . 10.0 111.464 -179.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.08 164.79 16.6 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 121.004 -0.617 . . . . 10.0 111.706 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.92 -167.03 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.248 0.547 . . . . 10.0 111.442 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -84.32 149.02 26.33 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.003 -0.544 . . . . 10.0 111.433 -179.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 57.18 29.4 59.78 Favored Glycine 0 CA--C 1.521 0.468 0 N-CA-C 114.772 0.669 . . . . 10.0 114.772 179.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 14' ' ' VAL . . . . . 0.493 HG23 ' HG3' ' C' ' 16' ' ' LYS . 20.6 m -88.79 -31.12 5.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 117.38 0.59 . . . . 10.0 111.795 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . 0.458 ' HA3' ' ND2' ' C' ' 116' ' ' ASN . . . 115.51 18.84 5.98 Favored Glycine 0 CA--C 1.518 0.242 0 C-N-CA 120.781 -0.724 . . . . 10.0 113.433 179.539 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . 0.493 ' HG3' HG23 ' C' ' 14' ' ' VAL . 51.8 mtmt -60.84 -50.5 73.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.312 0.577 . . . . 10.0 110.629 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 33.7 m -66.91 -42.29 85.66 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.486 -0.779 . . . . 10.0 110.954 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.25 -45.79 87.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.421 -0.354 . . . . 10.0 111.078 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 65.2 mt -65.27 -46.45 80.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.884 0.374 . . . . 10.0 110.983 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 27.8 m -63.33 -42.77 98.99 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.885 -0.598 . . . . 10.0 111.637 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 73.5 mt -63.48 -36.07 74.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 110.006 -0.368 . . . . 10.0 110.006 179.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 22' ' ' GLN . . . . . 0.72 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 1.2 mm-40 -65.47 -36.08 82.83 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.116 0.484 . . . . 10.0 110.209 178.677 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 24.0 tp -76.95 -35.6 57.15 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.329 -0.396 . . . . 10.0 111.627 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 50.8 mm -85.88 -61.1 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 112.904 0.705 . . . . 10.0 112.904 -178.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -88.68 -9.4 52.16 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 112.138 0.422 . . . . 10.0 112.138 -178.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 26' ' ' ASN . . . . . 0.72 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 6.4 m-20 67.97 32.63 5.0 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 114.629 1.344 . . . . 10.0 114.629 178.204 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -151.27 154.68 37.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.72 0.295 . . . . 10.0 111.114 178.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -102.27 130.33 48.94 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.2 -0.454 . . . . 10.0 110.723 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 4.8 m -104.84 125.71 59.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.86 -0.609 . . . . 10.0 109.597 178.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -79.9 -14.25 58.77 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.413 0.625 . . . . 10.0 110.864 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -77.79 136.01 38.06 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.505 -0.771 . . . . 10.0 110.097 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -79.79 119.59 22.89 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.946 0.403 . . . . 10.0 111.017 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -100.0 115.97 65.05 Favored Pre-proline 0 C--O 1.237 0.433 0 CA-C-N 115.73 -0.668 . . . . 10.0 110.492 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -78.09 70.1 7.24 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.946 2.43 . . . . 10.0 110.863 179.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.3 134.31 48.95 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.501 -0.772 . . . . 10.0 111.715 -179.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 44.6 mm -107.62 -47.1 7.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 108.266 -1.013 . . . . 10.0 108.266 178.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 37' ' ' GLU . . . . . 0.632 ' HG2' HD11 ' C' ' 56' ' ' LEU . 1.2 tt0 -163.61 96.68 0.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.344 -0.844 . . . . 10.0 109.862 178.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -126.95 127.43 44.84 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.412 -0.358 . . . . 10.0 110.727 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 2.4 p -99.92 147.7 25.27 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.279 -0.419 . . . . 10.0 111.413 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -138.88 132.39 30.36 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.5 -0.556 . . . . 10.0 109.5 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -114.96 134.28 55.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.748 0.308 . . . . 10.0 111.038 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 42' ' ' LYS . . . . . 0.6 ' HB3' HD12 ' C' ' 53' ' ' LEU . 50.4 tttp -143.45 143.21 31.5 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.471 -0.566 . . . . 10.0 109.471 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -117.5 109.99 17.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.639 0.256 . . . . 10.0 110.518 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 2.8 m -130.59 164.61 33.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.336 0.588 . . . . 10.0 111.448 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 47.7 t -93.48 94.88 4.89 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 115.669 -0.696 . . . . 10.0 109.877 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 46' ' ' ILE . . . . . 0.576 HG13 HG11 ' C' ' 160' ' ' VAL . 29.5 mm -77.09 100.79 2.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 108.076 -1.083 . . . . 10.0 108.076 178.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 47' ' ' ASP . . . . . 0.558 ' HA ' ' HB2' ' B' ' 128' ' ' LYS . 4.9 m-20 69.01 -97.4 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.555 -0.748 . . . . 10.0 109.857 -178.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . -124.67 12.48 7.82 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.75 -0.738 . . . . 10.0 111.869 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -125.74 132.82 52.27 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.829 0.347 . . . . 10.0 111.125 -179.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -78.54 121.95 25.27 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.751 -0.833 . . . . 10.0 108.751 177.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 51' ' ' CYS . . . . . 0.463 ' HB3' ' CD2' ' C' ' 4' ' ' TYR . 4.0 m -125.44 141.68 51.92 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 112.531 0.567 . . . . 10.0 112.531 -178.147 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 53.7 tp -97.54 117.56 32.07 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.369 -0.974 . . . . 10.0 108.369 177.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . 0.6 HD12 ' HB3' ' C' ' 42' ' ' LYS . 10.1 mt -88.88 121.09 30.89 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.462 0.648 . . . . 10.0 112.193 -178.357 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . 0.619 ' HB3' ' HA ' ' C' ' 5' ' ' LYS . 26.3 t0 -103.89 81.97 1.93 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.479 -1.304 . . . . 10.0 107.479 177.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 6.4 mt -89.03 148.15 4.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.495 -0.775 . . . . 10.0 111.883 -177.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . 0.632 HD11 ' HG2' ' C' ' 37' ' ' GLU . 16.6 tp -148.39 125.48 11.4 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.73 -0.668 . . . . 10.0 110.0 179.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -84.26 138.82 32.74 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 109.841 -0.429 . . . . 10.0 109.841 178.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 25.0 p -99.42 165.97 11.4 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.246 -0.434 . . . . 10.0 111.211 -178.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -88.4 119.74 29.12 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.015 -0.539 . . . . 10.0 109.716 178.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -92.21 11.9 70.97 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.913 -0.66 . . . . 10.0 112.728 -179.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -85.32 2.87 42.29 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.991 0.367 . . . . 10.0 111.991 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 62' ' ' GLU . . . . . 0.459 ' HG3' ' H ' ' C' ' 63' ' ' GLU . 3.5 tp10 62.66 -158.54 0.32 Allowed 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 109.781 -0.451 . . . . 10.0 109.781 -179.537 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 63' ' ' GLU . . . . . 0.459 ' H ' ' HG3' ' C' ' 62' ' ' GLU . 14.0 tt0 71.5 -42.58 0.54 Allowed 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 113.171 0.804 . . . . 10.0 113.171 179.414 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 64' ' ' TYR . . . . . 0.872 ' HB3' ' HB3' ' C' ' 67' ' ' MET . 70.5 m-85 -77.33 61.24 2.14 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.096 0.406 . . . . 10.0 112.096 -179.165 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.42 -37.61 77.52 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-O 120.836 0.35 . . . . 10.0 110.331 179.292 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.84 -39.23 51.92 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.494 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 67' ' ' MET . . . . . 0.872 ' HB3' ' HB3' ' C' ' 64' ' ' TYR . 8.9 ttt -62.95 -37.37 86.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.832 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 68' ' ' ARG . . . . . 0.586 ' HA ' ' CZ ' ' C' ' 71' ' ' TYR . 17.6 ttp180 -64.21 -37.58 87.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.035 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.52 -33.45 71.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.884 -0.598 . . . . 10.0 111.303 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -60.7 -62.29 1.97 Allowed 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.818 0.673 . . . . 10.0 112.818 -179.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 71' ' ' TYR . . . . . 0.586 ' CZ ' ' HA ' ' C' ' 68' ' ' ARG . 5.6 p90 -73.73 -16.18 61.19 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 112.95 0.722 . . . . 10.0 112.95 -179.015 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 72' ' ' MET . . . . . 0.575 ' HA ' ' HZ ' ' C' ' 78' ' ' PHE . 18.3 mtt -67.07 -32.38 73.51 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-O 121.131 0.491 . . . . 10.0 110.567 179.282 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 33.7 ttm105 -78.22 -32.46 49.87 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.297 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.97 -50.22 17.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.0 -0.545 . . . . 10.0 111.69 -179.512 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 75' ' ' GLY . . . . . 0.425 ' HA3' ' CG2' ' C' ' 7' ' ' VAL . . . -61.74 140.07 47.0 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 121.131 -0.557 . . . . 10.0 113.774 -178.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -95.89 -51.27 4.54 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.171 0.51 . . . . 10.0 110.082 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -106.02 132.55 11.18 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.466 -0.788 . . . . 10.0 111.627 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 78' ' ' PHE . . . . . 0.736 ' HB2' ' HG2' ' C' ' 111' ' ' MET . 54.9 m-85 -109.34 129.6 55.52 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.207 0.527 . . . . 10.0 111.625 -179.229 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 79' ' ' LEU . . . . . 0.42 HD13 HD22 ' C' ' 159' ' ' LEU . 12.4 tp -109.29 107.4 17.61 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.69 -0.686 . . . . 10.0 109.661 179.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 80' ' ' CYS . . . . . 0.517 ' HB3' HD12 ' C' ' 93' ' ' ILE . 47.7 m -87.15 96.4 10.3 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.379 0.609 . . . . 10.0 111.423 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 92.2 t -95.97 122.06 47.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.501 -0.772 . . . . 10.0 110.134 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 82' ' ' PHE . . . . . 0.598 ' HB3' HD11 ' C' ' 93' ' ' ILE . 29.2 p90 -132.9 151.97 51.96 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.406 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -90.27 123.99 34.51 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.109 -0.7 . . . . 10.0 109.109 179.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 84' ' ' ILE . . . . . 0.866 HD12 ' HD3' ' C' ' 123' ' ' ARG . 27.6 pt -67.9 -11.87 14.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 112.765 0.654 . . . . 10.0 112.765 -179.064 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 20.6 p-10 -95.63 12.77 28.53 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.287 0.565 . . . . 10.0 110.344 178.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 86' ' ' ASN . . . . . 0.42 ' OD1' ' HB3' ' C' ' 88' ' ' LYS . 24.6 t-20 -140.53 105.03 4.88 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.64 -0.709 . . . . 10.0 110.374 179.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 87' ' ' THR . . . . . 0.411 ' O ' ' HG3' ' C' ' 91' ' ' GLU . 0.4 OUTLIER -61.04 -34.88 75.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.984 -179.6 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 88' ' ' LYS . . . . . 0.42 ' HB3' ' OD1' ' C' ' 86' ' ' ASN . 25.8 tptp -55.83 -43.76 77.28 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.355 -0.384 . . . . 10.0 111.09 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 18.8 m -65.0 -32.56 74.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.055 -0.521 . . . . 10.0 110.987 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -73.11 -34.26 66.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.888 0.375 . . . . 10.0 111.236 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 91' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' C' ' 87' ' ' THR . 33.6 mt-10 -77.01 -32.53 57.22 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.081 0.467 . . . . 10.0 110.548 179.703 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.36 -28.2 69.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.515 -0.766 . . . . 10.0 111.506 179.385 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 93' ' ' ILE . . . . . 0.598 HD11 ' HB3' ' C' ' 82' ' ' PHE . 51.2 mm -52.1 -41.78 33.5 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-N 115.876 -0.602 . . . . 10.0 111.499 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 94' ' ' HIS . . . . . 0.55 ' HA ' ' OH ' ' C' ' 137' ' ' TYR . 62.7 t60 -60.56 -54.37 46.26 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.959 -0.564 . . . . 10.0 111.135 -179.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 62.3 m-70 -62.42 -38.71 90.77 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.918 -179.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 96' ' ' TYR . . . . . 0.405 ' O ' HG13 ' C' ' 100' ' ' ILE . 4.6 m-85 -61.77 -44.99 95.8 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.819 179.416 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 97' ' ' ARG . . . . . 0.411 ' HA ' HD12 ' C' ' 100' ' ' ILE . 1.5 tmt_? -66.02 -41.16 91.32 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.998 -0.546 . . . . 10.0 111.332 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -61.94 -42.51 99.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.117 -0.492 . . . . 10.0 111.59 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 99' ' ' GLN . . . . . 0.483 ' O ' HG23 ' C' ' 103' ' ' VAL . 28.1 tt0 -64.27 -43.6 94.33 Favored 'General case' 0 C--O 1.226 -0.177 0 C-N-CA 120.768 -0.373 . . . . 10.0 110.593 179.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 100' ' ' ILE . . . . . 0.411 HD12 ' HA ' ' C' ' 97' ' ' ARG . 92.9 mt -54.38 -48.53 68.42 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-O 121.271 0.558 . . . . 10.0 110.141 179.259 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 35.0 mtmt -63.36 -38.64 91.94 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.402 -0.817 . . . . 10.0 111.398 -179.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -70.31 -46.13 64.88 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.17 -0.468 . . . . 10.0 111.361 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 103' ' ' VAL . . . . . 0.483 HG23 ' O ' ' C' ' 99' ' ' GLN . 87.3 t -62.13 -52.6 58.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.332 -0.394 . . . . 10.0 111.723 -179.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -80.16 -6.68 58.19 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.618 -0.264 . . . . 10.0 111.65 -179.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 5.6 t70 53.05 51.53 15.59 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.461 0.648 . . . . 10.0 110.841 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 4.8 m -145.03 158.91 43.67 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.619 -0.719 . . . . 10.0 110.102 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 26.8 tp10 -107.81 -28.42 9.67 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.378 0.609 . . . . 10.0 110.356 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.81 91.34 3.95 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.436 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 55.1 t -118.24 128.92 25.69 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.001 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -59.18 105.43 0.24 Allowed 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.753 2.302 . . . . 10.0 111.713 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 111' ' ' MET . . . . . 0.736 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 58.4 mtm -134.55 157.01 47.65 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.802 -179.288 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 45.1 t -142.36 132.01 22.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.543 -0.539 . . . . 10.0 109.543 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 22.5 tp -91.29 121.9 33.44 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.949 -0.389 . . . . 10.0 109.949 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 83.9 t -118.57 117.28 54.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.17 -0.468 . . . . 10.0 111.552 -178.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -91.83 112.3 4.16 Favored Glycine 0 N--CA 1.446 -0.685 0 N-CA-C 110.358 -1.097 . . . . 10.0 110.358 178.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 116' ' ' ASN . . . . . 0.458 ' ND2' ' HA3' ' C' ' 15' ' ' GLY . 63.2 t30 -96.13 164.39 12.7 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.674 0.237 . . . . 10.0 111.214 -178.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 95.2 mttt 65.27 33.11 9.43 Favored 'General case' 0 C--O 1.234 0.239 0 O-C-N 123.793 0.683 . . . . 10.0 111.648 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 118' ' ' CYS . . . . . 0.838 ' HA ' HD11 ' C' ' 84' ' ' ILE . 90.3 m -73.39 -8.09 54.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.2 -0.455 . . . . 10.0 112.126 -179.424 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -95.47 -5.56 42.68 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.795 0.331 . . . . 10.0 110.109 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 120' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' C' ' 120' ' ' LEU . 17.7 mt -87.01 127.77 58.27 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 10.0 110.746 179.456 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -67.31 158.33 57.51 Favored 'Trans proline' 0 C--O 1.237 0.431 0 C-N-CA 122.709 2.273 . . . . 10.0 112.253 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 50.4 m 63.55 59.62 1.19 Allowed 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.751 -0.659 . . . . 10.0 111.589 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 123' ' ' ARG . . . . . 0.866 ' HD3' HD12 ' C' ' 84' ' ' ILE . 12.5 ptt180 -85.48 128.16 34.65 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 116.143 -0.481 . . . . 10.0 110.174 179.549 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.85 -45.85 63.73 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.613 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 57.5 t -84.77 123.82 39.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.275 -0.42 . . . . 10.0 110.232 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 126' ' ' ASP . . . . . 0.409 ' OD1' ' HG3' ' C' ' 128' ' ' LYS . 11.6 t70 -92.67 151.69 19.95 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.19 -0.459 . . . . 10.0 109.947 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 1.6 m -56.2 -36.42 68.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.375 -0.375 . . . . 10.0 111.709 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 128' ' ' LYS . . . . . 0.409 ' HG3' ' OD1' ' C' ' 126' ' ' ASP . 33.4 mttp -54.91 -51.82 64.83 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.308 -0.406 . . . . 10.0 112.025 -179.268 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -72.4 -31.19 65.32 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.008 0.432 . . . . 10.0 111.431 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.49 -42.31 92.31 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.038 0.447 . . . . 10.0 109.944 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -73.47 -27.81 61.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.02 179.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -64.0 -47.65 79.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.216 178.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 27.0 tp -64.53 -38.94 92.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.697 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.76 -34.8 79.18 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.428 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 135' ' ' ARG . . . . . 0.45 HH11 ' HD2' ' C' ' 135' ' ' ARG . 30.7 ttm180 -60.95 -46.06 92.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.681 -0.69 . . . . 10.0 110.874 179.477 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 69.3 m -64.6 -37.39 87.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.038 0.447 . . . . 10.0 111.641 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 137' ' ' TYR . . . . . 0.55 ' OH ' ' HA ' ' C' ' 94' ' ' HIS . 9.4 m-30 -79.27 -21.1 46.57 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 116.358 -0.383 . . . . 10.0 111.753 -178.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 75.11 30.92 58.3 Favored Glycine 0 N--CA 1.452 -0.29 0 N-CA-C 111.073 -0.811 . . . . 10.0 111.073 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 43.7 pt -120.73 154.86 57.49 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 115.396 -0.402 . . . . 10.0 110.457 -179.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -78.02 143.67 20.66 Favored 'Trans proline' 0 N--CA 1.462 -0.358 0 C-N-CA 122.921 2.414 . . . . 10.0 112.156 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -122.16 134.05 54.73 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.605 -0.517 . . . . 10.0 109.605 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 142' ' ' ILE . . . . . 0.652 HD12 ' HA ' ' C' ' 155' ' ' ALA . 79.0 mt -135.73 133.61 51.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.802 0.334 . . . . 10.0 110.729 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -85.4 125.88 33.34 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 108.782 -0.822 . . . . 10.0 108.782 178.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 76.4 p -133.83 177.61 7.59 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.205 0.526 . . . . 10.0 112.037 -178.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 6.2 t -152.74 130.27 11.46 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.815 -0.809 . . . . 10.0 108.815 179.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -71.26 -21.43 62.1 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.152 0.501 . . . . 10.0 110.619 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 18.5 ttmt -81.01 -58.43 3.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.701 -0.681 . . . . 10.0 111.648 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -73.81 -22.68 59.71 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 113.314 0.857 . . . . 10.0 113.314 -177.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 149' ' ' ARG . . . . . 0.438 ' O ' ' HG3' ' C' ' 149' ' ' ARG . 15.4 tpt180 68.49 17.37 9.09 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 122.128 0.966 . . . . 10.0 109.703 -179.409 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -80.14 125.47 29.86 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.149 -0.932 . . . . 10.0 111.512 -179.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 71.67 -2.57 22.72 Favored Glycine 0 C--N 1.333 0.403 0 CA-C-N 116.011 -0.54 . . . . 10.0 114.372 178.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 72.8 t -63.62 -48.44 86.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 111.977 0.362 . . . . 10.0 111.977 -178.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.35 -38.93 91.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.785 0.326 . . . . 10.0 110.442 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -64.27 -41.36 96.95 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 155' ' ' ALA . . . . . 0.652 ' HA ' HD12 ' C' ' 142' ' ' ILE . . . -62.88 -45.46 92.44 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.668 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -64.17 -44.15 92.95 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.807 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -62.44 -39.99 95.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.531 179.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 84.1 m -59.04 -42.78 91.08 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.96 -0.563 . . . . 10.0 111.992 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 159' ' ' LEU . . . . . 0.42 HD22 HD13 ' C' ' 79' ' ' LEU . 45.5 tp -61.52 -43.67 98.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.959 0.409 . . . . 10.0 110.538 179.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 160' ' ' VAL . . . . . 0.576 HG11 HG13 ' C' ' 46' ' ' ILE . 46.5 t -65.28 -38.71 83.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.889 -0.596 . . . . 10.0 109.837 179.401 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -63.47 -38.09 89.81 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.701 -0.682 . . . . 10.0 110.995 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -61.87 -42.65 99.31 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.472 -0.331 . . . . 10.0 110.753 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 41.8 mt -64.42 -45.0 97.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-N 116.31 -0.405 . . . . 10.0 110.349 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 27.3 ttm180 -65.16 -38.13 89.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.996 0.427 . . . . 10.0 110.033 179.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 165' ' ' LYS . . . . . 0.473 ' HE2' ' HG3' ' B' ' 135' ' ' ARG . 36.9 ttmt -64.79 -43.48 93.07 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.644 -0.707 . . . . 10.0 109.545 179.348 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -56.83 -45.24 82.46 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.901 -0.59 . . . . 10.0 110.591 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 63.9 mttm . . . . . 0 CA--C 1.53 0.174 0 CA-C-N 116.211 -0.449 . . . . 10.0 110.638 179.471 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.899 0.38 . . . . 10.0 111.613 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 47.3 mt -100.28 16.42 24.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.332 -0.395 . . . . 10.0 111.858 -178.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 67.1 mt -127.03 -53.84 1.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.889 0.376 . . . . 10.0 111.395 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -65.46 -47.54 75.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.832 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -73.76 -24.26 59.84 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.48 179.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 54.0 t90 -70.85 -28.19 64.39 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-N 115.604 -0.726 . . . . 10.0 109.511 179.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -61.05 -41.89 97.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.393 -0.821 . . . . 10.0 110.124 179.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 3.3 m -61.49 -36.99 82.04 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.222 -0.444 . . . . 10.0 110.771 179.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 24.5 t -64.08 -43.01 97.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 108.579 -0.897 . . . . 10.0 108.579 178.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 18.9 m -64.39 -40.25 95.45 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.223 -0.898 . . . . 10.0 110.138 179.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 5.2 m -63.05 -39.8 95.82 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.547 -0.538 . . . . 10.0 109.547 178.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 36.5 m -66.15 -47.55 73.66 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.815 -0.63 . . . . 10.0 110.228 179.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -58.54 -40.2 82.31 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.372 -0.376 . . . . 10.0 111.147 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 215' ' ' SER . . . . . 0.467 ' O ' ' HG3' ' A' ' 219' ' ' GLU . 16.9 m -64.32 -47.83 77.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 10.0 109.959 179.024 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp -61.48 -41.13 96.8 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.992 0.425 . . . . 10.0 109.864 179.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 217' ' ' LEU . . . . . 0.5 ' O ' ' HG ' ' A' ' 221' ' ' LEU . 65.7 mt -63.22 -43.17 98.88 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.081 178.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 218' ' ' ARG . . . . . 0.601 ' HA ' HD12 ' A' ' 221' ' ' LEU . 19.2 mtt180 -64.89 -39.71 93.95 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 123.371 0.42 . . . . 10.0 110.982 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 219' ' ' GLU . . . . . 0.467 ' HG3' ' O ' ' A' ' 215' ' ' SER . 51.9 mt-10 -69.25 -32.58 71.88 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.959 0.409 . . . . 10.0 110.448 179.178 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 220' ' ' GLN . . . . . 0.41 ' O ' HG23 ' A' ' 224' ' ' VAL . 6.5 tp-100 -77.91 -30.45 50.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.488 -0.778 . . . . 10.0 110.129 179.122 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 221' ' ' LEU . . . . . 0.601 HD12 ' HA ' ' A' ' 218' ' ' ARG . 33.4 mt -55.81 -34.21 65.15 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 115.91 -0.586 . . . . 10.0 111.356 179.716 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -55.66 -70.61 0.91 Allowed Glycine 0 C--N 1.332 0.326 0 N-CA-C 111.1 -0.8 . . . . 10.0 111.1 178.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -51.06 -42.15 54.08 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.956 2.437 . . . . 10.0 112.005 178.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 224' ' ' VAL . . . . . 0.518 HG22 ' HD3' ' D' ' 550' ' ' LYS . 77.7 t -56.69 -55.32 20.32 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 CA-C-O 120.731 0.3 . . . . 10.0 110.958 179.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 225' ' ' THR . . . . . 0.403 ' O ' ' HB2' ' A' ' 229' ' ' TRP . 17.7 p -65.77 -37.35 86.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.317 -0.401 . . . . 10.0 110.977 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -58.4 -50.65 72.93 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.095 0.474 . . . . 10.0 111.112 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -71.13 -40.53 71.36 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.907 -0.588 . . . . 10.0 111.34 -179.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 228' ' ' PHE . . . . . 0.562 ' HZ ' ' HE1' ' D' ' 547' ' ' TYR . 3.2 m-85 -66.22 -40.69 90.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.624 -0.262 . . . . 10.0 111.655 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 229' ' ' TRP . . . . . 0.403 ' HB2' ' O ' ' A' ' 225' ' ' THR . 1.0 OUTLIER -61.64 -38.7 88.66 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.765 -0.457 . . . . 10.0 109.765 178.895 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -67.92 -43.78 78.39 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.584 -0.524 . . . . 10.0 109.584 178.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 231' ' ' ASN . . . . . 0.85 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 67.7 m-20 -62.21 -40.28 95.58 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.899 -0.591 . . . . 10.0 109.92 178.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 67.9 mt -66.25 -39.73 89.68 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.179 -0.674 . . . . 10.0 109.179 178.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 233' ' ' GLU . . . . . 0.575 ' HA ' ' OG1' ' A' ' 236' ' ' THR . 12.7 mm-40 -65.04 -29.92 70.85 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.852 -0.613 . . . . 10.0 111.169 179.218 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 234' ' ' LYS . . . . . 0.85 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 37.3 mttt -67.55 -39.29 84.96 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.434 -0.951 . . . . 10.0 108.434 177.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.15 -46.63 64.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 114.823 -1.08 . . . . 10.0 110.366 179.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 236' ' ' THR . . . . . 0.575 ' OG1' ' HA ' ' A' ' 233' ' ' GLU . 2.8 p -64.3 -36.46 84.19 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 116.311 -0.404 . . . . 10.0 110.082 179.371 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 237' ' ' GLU . . . . . 0.508 ' HB2' ' O ' ' A' ' 233' ' ' GLU . 2.8 tp10 -60.38 -46.54 89.62 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 108.277 -1.008 . . . . 10.0 108.277 177.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 238' ' ' GLY . . . . . 0.414 ' O ' ' HG3' ' A' ' 242' ' ' GLU . . . -58.98 -46.67 93.35 Favored Glycine 0 N--CA 1.44 -1.054 0 N-CA-C 110.245 -1.142 . . . . 10.0 110.245 178.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 71.4 mt -63.98 -29.92 71.04 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.504 0.187 . . . . 10.0 111.504 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 52.7 mtt180 -69.13 -39.29 78.97 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.056 -0.72 . . . . 10.0 109.056 178.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -74.54 -39.48 62.3 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.034 -0.728 . . . . 10.0 109.034 178.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 242' ' ' GLU . . . . . 0.414 ' HG3' ' O ' ' A' ' 238' ' ' GLY . 12.9 mt-10 -66.05 -21.79 66.4 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.46 -0.791 . . . . 10.0 110.06 178.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 243' ' ' MET . . . . . 0.845 ' HG3' HD12 ' A' ' 247' ' ' LEU . 49.7 ttm -61.17 -35.54 77.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.38 0.61 . . . . 10.0 109.924 178.622 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 2.1 m -76.27 0.23 20.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.329 -0.85 . . . . 10.0 111.118 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 245' ' ' LYS . . . . . 0.562 ' O ' ' HB2' ' A' ' 249' ' ' GLU . 99.3 mttt -119.34 -60.88 1.69 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.411 -0.589 . . . . 10.0 109.411 178.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 246' ' ' ASP . . . . . 0.612 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 0.3 OUTLIER -58.6 -59.08 5.95 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.52 -0.764 . . . . 10.0 111.501 -179.47 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 247' ' ' LEU . . . . . 0.845 HD12 ' HG3' ' A' ' 243' ' ' MET . 95.7 mt -78.44 -48.65 14.99 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.807 0.669 . . . . 10.0 112.807 -178.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -58.94 -48.76 80.34 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.997 0.74 . . . . 10.0 112.997 -179.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 249' ' ' GLU . . . . . 0.562 ' HB2' ' O ' ' A' ' 245' ' ' LYS . 43.8 mt-10 -71.53 -32.16 67.85 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.855 -0.338 . . . . 10.0 111.666 -179.368 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 250' ' ' VAL . . . . . 0.577 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 1.1 p -70.29 -30.17 42.21 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 C-N-CA 120.505 -0.478 . . . . 10.0 110.138 178.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 251' ' ' LYS . . . . . 0.403 ' O ' HG12 ' A' ' 254' ' ' VAL . 69.5 tttt -82.15 -28.53 32.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.081 179.102 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -75.24 -39.97 59.42 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.168 -0.678 . . . . 10.0 109.168 178.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 47.2 mttt -81.63 -18.6 44.07 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.488 -0.778 . . . . 10.0 110.975 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 254' ' ' VAL . . . . . 0.577 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.3 OUTLIER -61.61 -27.22 41.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.789 0.328 . . . . 10.0 110.767 179.811 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 255' ' ' GLN . . . . . 0.549 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 71.6 mt-30 -61.92 -65.57 2.07 Favored Pre-proline 0 CA--C 1.531 0.25 0 CA-C-N 115.966 -0.561 . . . . 10.0 111.007 179.445 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 256' ' ' PRO . . . . . 0.549 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 38.2 Cg_endo -66.33 -33.37 38.79 Favored 'Trans proline' 0 C--N 1.355 0.91 0 C-N-CA 122.151 1.901 . . . . 10.0 112.599 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 5.4 m-30 -63.76 -49.54 72.57 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.455 -0.338 . . . . 10.0 110.753 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 44.9 mt -73.36 -30.93 63.65 Favored 'General case' 0 C--O 1.221 -0.419 0 N-CA-C 110.04 -0.356 . . . . 10.0 110.04 178.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 259' ' ' ASP . . . . . 0.43 ' HB3' ' HA ' ' A' ' 256' ' ' PRO . 5.9 t70 -60.56 -54.55 44.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.501 179.476 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -62.11 -47.18 85.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.864 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 2.8 m-30 -61.51 -40.46 94.69 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.187 -0.461 . . . . 10.0 111.652 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -68.13 -43.3 78.64 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.592 -0.276 . . . . 10.0 110.704 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 263' ' ' LYS . . . . . 0.45 ' O ' ' HG3' ' A' ' 267' ' ' GLU . 38.3 mtmt -62.26 -46.1 90.34 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.64 -0.504 . . . . 10.0 109.64 179.16 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 264' ' ' LYS . . . . . 0.694 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 73.6 mttt -62.59 -37.74 87.42 Favored 'General case' 0 C--O 1.223 -0.302 0 N-CA-C 109.715 -0.476 . . . . 10.0 109.715 178.362 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -64.41 -42.5 96.03 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 109.269 -0.641 . . . . 10.0 109.269 178.701 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -64.0 -42.83 97.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.597 -0.728 . . . . 10.0 109.493 178.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 267' ' ' GLU . . . . . 0.45 ' HG3' ' O ' ' A' ' 263' ' ' LYS . 48.3 mt-10 -64.48 -43.65 93.49 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.328 -0.619 . . . . 10.0 109.328 178.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 268' ' ' GLU . . . . . 0.434 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 27.2 mt-10 -59.67 -43.76 93.86 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.197 178.578 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 80.9 mmm -66.67 -39.92 88.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.492 . . . . 10.0 110.716 179.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -60.01 -48.3 82.27 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.514 -0.55 . . . . 10.0 109.514 178.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 95.4 mt -62.47 -42.8 99.74 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.971 -0.559 . . . . 10.0 110.386 179.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 272' ' ' TYR . . . . . 0.449 ' HD1' ' HA ' ' A' ' 272' ' ' TYR . 0.1 OUTLIER -65.42 -35.52 81.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.011 -0.541 . . . . 10.0 111.159 179.887 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 48.3 mtt180 -75.29 -37.44 60.87 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.148 0.499 . . . . 10.0 110.326 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -72.42 -17.92 61.76 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.596 179.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 275' ' ' LYS . . . . . 0.567 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 8.1 mptt -98.1 -37.32 9.78 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.232 -0.44 . . . . 10.0 111.189 179.266 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 5.4 p -56.75 -32.5 38.27 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.292 0 N-CA-C 112.624 0.602 . . . . 10.0 112.624 -178.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 83.4 mt-10 -67.03 -61.12 5.16 Favored Pre-proline 0 CA--C 1.534 0.36 0 N-CA-C 112.326 0.491 . . . . 10.0 112.326 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -61.43 -35.77 81.3 Favored 'Trans proline' 0 C--N 1.354 0.865 0 C-N-CA 121.756 1.637 . . . . 10.0 111.632 178.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 279' ' ' LEU . . . . . 0.64 ' O ' ' HG ' ' A' ' 283' ' ' LEU . 63.4 mt -66.8 -43.39 84.0 Favored 'General case' 0 CA--C 1.522 -0.132 0 CA-C-O 120.702 0.287 . . . . 10.0 110.248 179.281 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -58.97 -35.21 72.8 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 116.094 -0.503 . . . . 10.0 109.799 178.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -59.87 -50.88 72.04 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.014 178.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -62.92 -42.43 99.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.693 -0.685 . . . . 10.0 110.238 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 283' ' ' LEU . . . . . 0.64 ' HG ' ' O ' ' A' ' 279' ' ' LEU . 43.9 mt -65.09 -38.23 90.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.073 -0.512 . . . . 10.0 111.089 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -71.72 -54.67 9.55 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.377 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -61.36 -39.5 90.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.329 -0.396 . . . . 10.0 111.057 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -65.69 -44.35 92.62 Favored Glycine 0 N--CA 1.446 -0.679 0 N-CA-C 110.223 -1.151 . . . . 10.0 110.223 178.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -64.94 -39.57 93.71 Favored 'General case' 0 C--O 1.224 -0.27 0 N-CA-C 109.866 -0.42 . . . . 10.0 109.866 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -55.44 -47.0 76.69 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.154 -0.475 . . . . 10.0 109.833 178.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -68.33 -50.6 52.18 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.738 179.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 290' ' ' LYS . . . . . 0.431 ' O ' ' HG ' ' A' ' 294' ' ' LEU . 78.2 mttt -58.28 -43.81 88.15 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.288 0.477 . . . . 10.0 112.288 -179.215 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 88.3 mt -66.61 -42.76 86.33 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.718 0.294 . . . . 10.0 110.439 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 292' ' ' HIS . . . . . 0.409 ' O ' ' HG2' ' A' ' 296' ' ' GLU . 0.5 OUTLIER -65.17 -38.75 91.52 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.365 -0.606 . . . . 10.0 109.365 178.88 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 293' ' ' GLU . . . . . 0.472 ' O ' ' HG2' ' A' ' 297' ' ' LYS . 1.1 tp10 -60.19 -40.84 91.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.58 -0.736 . . . . 10.0 109.727 179.093 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 294' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 290' ' ' LYS . 87.5 mt -71.42 -35.4 70.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.739 -0.664 . . . . 10.0 110.0 179.111 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -67.39 -31.41 71.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.033 179.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 296' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' ' 292' ' ' HIS . 75.8 mm-40 -68.24 -10.39 54.23 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.764 -0.653 . . . . 10.0 109.994 178.486 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . 0.584 ' HB3' HD12 ' A' ' 301' ' ' LEU . 64.6 mmtt -107.48 -47.46 3.63 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.127 -0.694 . . . . 10.0 109.127 178.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 86.5 mt -59.54 -25.28 64.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.773 -0.649 . . . . 10.0 112.439 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 299' ' ' SER . . . . . 0.57 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 15.2 m -77.03 -66.07 0.35 Allowed Pre-proline 0 C--N 1.322 -0.594 0 CA-C-O 119.351 -0.357 . . . . 10.0 111.957 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 300' ' ' PRO . . . . . 0.57 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 39.6 Cg_endo -68.91 -50.0 0.63 Allowed 'Trans proline' 0 C--N 1.356 0.97 0 C-N-CA 121.654 1.569 . . . . 10.0 112.624 -179.745 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 301' ' ' LEU . . . . . 0.629 HD13 ' HG2' ' D' ' 473' ' ' LYS . 85.2 mt -65.83 -32.02 73.31 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 120.752 0.311 . . . . 10.0 110.512 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 302' ' ' GLY . . . . . 0.516 ' O ' ' HG3' ' A' ' 306' ' ' ARG . . . -70.32 -43.82 61.4 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 110.739 -0.945 . . . . 10.0 110.739 178.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -62.35 -45.9 91.07 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.023 -0.732 . . . . 10.0 109.023 178.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -62.61 -38.64 90.96 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.356 -0.838 . . . . 10.0 109.239 178.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 305' ' ' MET . . . . . 0.404 ' SD ' HD13 ' D' ' 469' ' ' LEU . 11.6 tpt -62.75 -39.36 93.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.429 179.106 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 306' ' ' ARG . . . . . 0.516 ' HG3' ' O ' ' A' ' 302' ' ' GLY . 47.1 mtt180 -63.71 -40.43 96.76 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.006 -0.543 . . . . 10.0 109.659 178.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -70.14 -36.58 74.86 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.213 179.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 308' ' ' ARG . . . . . 0.464 ' HD2' ' OE2' ' D' ' 465' ' ' GLU . 8.4 mmt85 -69.2 -35.5 76.29 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.229 -0.656 . . . . 10.0 109.229 178.256 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 309' ' ' ALA . . . . . 0.512 ' O ' HG23 ' A' ' 313' ' ' VAL . . . -62.72 -40.27 96.66 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 108.331 -0.989 . . . . 10.0 108.331 178.046 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 310' ' ' ARG . . . . . 0.516 ' HG3' ' O ' ' A' ' 306' ' ' ARG . 76.8 mtt180 -59.1 -49.47 77.77 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-N 115.308 -0.86 . . . . 10.0 108.75 178.077 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -60.77 -39.44 88.82 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.748 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -60.47 -54.01 50.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.893 -0.594 . . . . 10.0 109.993 179.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 313' ' ' VAL . . . . . 0.799 HG12 ' HE ' ' A' ' 317' ' ' ARG . 9.5 t -71.94 -26.38 25.37 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.24 0 CA-C-N 115.629 -0.714 . . . . 10.0 111.272 -179.453 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -64.2 -49.3 72.55 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 109.25 -0.648 . . . . 10.0 109.25 178.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -64.41 -37.38 87.31 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.669 -0.696 . . . . 10.0 109.209 178.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 316' ' ' LEU . . . . . 0.462 HD12 ' HA ' ' A' ' 313' ' ' VAL . 29.3 mt -63.82 -51.96 62.36 Favored 'General case' 0 C--O 1.22 -0.48 0 CA-C-N 115.685 -0.689 . . . . 10.0 110.1 179.106 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 317' ' ' ARG . . . . . 0.799 ' HE ' HG12 ' A' ' 313' ' ' VAL . 32.4 mtm180 -63.11 -43.52 98.2 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.799 0.296 . . . . 10.0 111.799 -179.474 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 26.0 m -63.39 -30.71 71.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.823 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 14.6 m170 -90.18 -33.62 16.14 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.985 -0.286 . . . . 10.0 111.68 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 31.7 mt -67.89 -31.09 70.64 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.944 0.35 . . . . 10.0 111.944 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 321' ' ' ALA . . . . . 0.409 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -55.36 -60.01 9.51 Favored Pre-proline 0 CA--C 1.536 0.411 0 N-CA-C 111.975 0.361 . . . . 10.0 111.975 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 322' ' ' PRO . . . . . 0.409 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 40.8 Cg_endo -69.53 -28.04 26.85 Favored 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 121.274 1.316 . . . . 10.0 111.489 178.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 323' ' ' TYR . . . . . 0.481 ' CD1' ' HE3' ' D' ' 451' ' ' LYS . 10.6 m-30 -66.9 -47.93 70.3 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 116.5 -0.318 . . . . 10.0 111.166 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 324' ' ' SER . . . . . 0.477 ' HA ' HD12 ' A' ' 327' ' ' LEU . 22.0 p -65.57 -36.97 85.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.792 0.33 . . . . 10.0 110.35 179.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -62.74 -38.55 90.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.175 0.512 . . . . 10.0 109.621 178.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -72.54 -31.9 65.65 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 109.258 -0.645 . . . . 10.0 109.258 178.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . 0.477 HD12 ' HA ' ' A' ' 324' ' ' SER . 53.5 mt -64.91 -32.84 74.74 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 108.89 -0.782 . . . . 10.0 108.89 177.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 328' ' ' ARG . . . . . 0.403 ' HG3' ' O ' ' A' ' 324' ' ' SER . 69.9 mtt180 -64.05 -44.0 93.79 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 108.645 -0.872 . . . . 10.0 108.645 178.254 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -64.35 -38.38 90.84 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.537 -0.756 . . . . 10.0 109.477 178.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 330' ' ' ARG . . . . . 0.443 ' NH2' ' HA ' ' D' ' 444' ' ' ASP . 35.0 mtt-85 -63.8 -50.55 68.5 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 109.15 -0.685 . . . . 10.0 109.15 178.613 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 48.6 mt -58.59 -43.85 89.65 Favored 'General case' 0 C--O 1.223 -0.341 0 CA-C-N 115.441 -0.8 . . . . 10.0 110.077 178.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -63.22 -52.48 62.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.666 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -58.92 -42.94 90.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 10.0 110.859 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 334' ' ' ARG . . . . . 0.468 ' O ' ' HG ' ' A' ' 338' ' ' LEU . 49.7 mtt-85 -66.77 -43.57 83.7 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.234 179.216 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 335' ' ' LEU . . . . . 0.45 ' HB3' ' HE3' ' A' ' 339' ' ' LYS . 30.8 mt -61.03 -43.38 98.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.598 -0.273 . . . . 10.0 110.709 178.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -62.93 -42.46 99.81 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.71 0.29 . . . . 10.0 110.413 179.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -63.5 -40.38 96.9 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.341 -0.614 . . . . 10.0 109.341 178.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 338' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 334' ' ' ARG . 96.0 mt -70.62 -17.78 62.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.111 -0.95 . . . . 10.0 110.6 178.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 339' ' ' LYS . . . . . 0.45 ' HE3' ' HB3' ' A' ' 335' ' ' LEU . 68.6 mttt -86.0 -47.65 9.39 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.372 -0.603 . . . . 10.0 109.372 178.476 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -60.33 -55.18 36.72 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.762 -0.654 . . . . 10.0 109.677 178.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -73.24 -31.34 64.07 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.666 -0.697 . . . . 10.0 110.486 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 342' ' ' GLY . . . . . 0.417 ' HA3' ' O ' ' A' ' 338' ' ' LEU . . . -63.13 -47.84 84.9 Favored Glycine 0 N--CA 1.454 -0.116 0 C-N-CA 120.994 -0.622 . . . . 10.0 111.875 179.654 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -60.39 -41.24 98.44 Favored Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 110.887 -0.885 . . . . 10.0 110.887 178.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -65.51 -44.42 87.05 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.701 -0.481 . . . . 10.0 109.701 178.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 10.1 mtm180 -60.62 -46.47 90.17 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.647 179.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 91.9 mt -59.91 -47.82 84.22 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.209 -0.451 . . . . 10.0 110.915 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.58 -49.04 79.13 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.499 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -63.73 -40.1 95.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.852 179.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -61.96 -43.97 97.74 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.426 -0.352 . . . . 10.0 110.319 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 48.0 m-70 -70.48 -34.83 72.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.378 -0.373 . . . . 10.0 110.441 179.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -65.63 -47.38 75.81 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.036 -0.727 . . . . 10.0 109.036 178.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 10.7 mtmm -63.29 -37.23 86.44 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 115.554 -0.748 . . . . 10.0 109.537 178.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . 0.465 ' O ' ' HG ' ' A' ' 357' ' ' LEU . . . -65.07 -37.92 89.09 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.709 -0.678 . . . . 10.0 109.638 179.096 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 40.3 m -63.77 -47.06 82.48 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.224 -0.443 . . . . 10.0 109.819 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -64.32 -36.98 85.9 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.191 0.519 . . . . 10.0 109.856 178.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -67.31 -35.38 79.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.436 -0.802 . . . . 10.0 109.833 178.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 357' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 353' ' ' ALA . 56.2 mt -68.26 -36.41 79.39 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.525 178.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 15.8 m -64.35 -46.33 83.91 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.744 -0.465 . . . . 10.0 109.744 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.48 -26.21 62.6 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.186 0.517 . . . . 10.0 110.168 179.07 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 31.3 tp -71.99 -31.0 65.83 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 108.835 -0.802 . . . . 10.0 108.835 178.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 49.1 m -68.16 -28.66 67.48 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.55 -0.75 . . . . 10.0 109.303 178.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 362' ' ' GLU . . . . . 0.423 ' O ' ' HD2' ' A' ' 366' ' ' PRO . 36.5 mm-40 -68.2 -25.82 65.41 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 108.765 -0.828 . . . . 10.0 108.765 177.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 363' ' ' LYS . . . . . 0.816 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 96.2 mttt -88.33 -32.05 18.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.437 -0.801 . . . . 10.0 109.893 178.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 364' ' ' ALA . . . . . 0.58 ' HA ' HD12 ' A' ' 368' ' ' LEU . . . -78.73 -39.52 36.05 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.9 0.704 . . . . 10.0 112.9 -178.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 365' ' ' LYS . . . . . 1.017 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 73.7 mttt -93.62 -74.29 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 113.057 0.762 . . . . 10.0 113.057 -179.296 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 366' ' ' PRO . . . . . 1.017 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 34.6 Cg_exo -63.11 -57.4 0.41 Allowed 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 122.18 1.92 . . . . 10.0 113.481 -179.131 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 367' ' ' ALA . . . . . 0.816 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -57.45 -49.26 76.83 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 113.079 0.77 . . . . 10.0 113.079 -178.388 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 368' ' ' LEU . . . . . 0.58 HD12 ' HA ' ' A' ' 364' ' ' ALA . 11.0 mt -64.36 -41.14 96.89 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.698 0.259 . . . . 10.0 111.698 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -62.35 -46.36 89.03 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.348 -0.612 . . . . 10.0 109.348 178.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -57.52 -43.09 83.99 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.632 -0.713 . . . . 10.0 110.204 178.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 13.2 mt -60.47 -48.83 80.03 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.028 178.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 372' ' ' ARG . . . . . 0.505 ' O ' ' HG ' ' A' ' 376' ' ' LEU . 78.0 mtt180 -63.29 -40.45 97.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.062 -0.517 . . . . 10.0 111.065 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -61.07 -41.85 97.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.399 179.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -75.74 -23.68 71.9 Favored Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.68 -0.691 . . . . 10.0 112.35 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 20.7 mt -81.81 -26.67 34.16 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.027 0.38 . . . . 10.0 112.027 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 376' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 372' ' ' ARG . 89.2 mt -50.47 -58.92 8.35 Favored Pre-proline 0 CA--C 1.535 0.37 0 N-CA-C 112.541 0.571 . . . . 10.0 112.541 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -67.47 -28.98 38.15 Favored 'Trans proline' 0 C--N 1.357 0.975 0 C-N-CA 121.892 1.728 . . . . 10.0 111.387 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 378' ' ' VAL . . . . . 0.432 ' O ' ' HB2' ' A' ' 382' ' ' PHE . 44.5 t -63.81 -42.2 95.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.223 179.486 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 82.0 mt -62.66 -36.7 83.7 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.585 -0.524 . . . . 10.0 109.585 179.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 380' ' ' GLU . . . . . 0.546 ' O ' HG23 ' A' ' 384' ' ' VAL . 22.3 mt-10 -68.58 -51.76 39.11 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.668 -0.697 . . . . 10.0 110.921 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 10.8 p -62.98 -35.1 79.05 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.009 0.433 . . . . 10.0 110.732 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 382' ' ' PHE . . . . . 0.432 ' HB2' ' O ' ' A' ' 378' ' ' VAL . 1.7 t80 -66.87 -40.65 87.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.168 -0.469 . . . . 10.0 109.812 178.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -62.59 -39.96 95.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.033 -0.53 . . . . 10.0 110.656 179.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 384' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 380' ' ' GLU . 50.8 t -57.9 -50.95 76.13 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-O 120.939 0.4 . . . . 10.0 109.922 179.217 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 14.8 m -68.62 -30.85 69.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.825 -0.625 . . . . 10.0 111.459 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -71.06 -47.41 58.59 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.539 -0.3 . . . . 10.0 110.733 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 387' ' ' LEU . . . . . 0.427 ' O ' ' HG3' ' A' ' 391' ' ' GLU . 94.7 mt -60.82 -43.72 97.85 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.522 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 388' ' ' SER . . . . . 0.821 ' HB2' ' HE2' ' D' ' 594' ' ' LYS . 3.3 p -66.74 -37.19 84.17 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.47 179.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -63.77 -40.23 96.18 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.978 0.418 . . . . 10.0 110.111 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 81.2 mt -62.89 -38.8 92.35 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.428 -0.582 . . . . 10.0 109.428 178.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 391' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' A' ' 387' ' ' LEU . 51.5 mt-10 -69.62 -38.29 77.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.637 -0.71 . . . . 10.0 109.562 178.5 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -55.3 -47.9 74.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.38 178.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -64.18 -44.5 91.84 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.543 -0.753 . . . . 10.0 110.119 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 394' ' ' THR . . . . . 0.417 ' O ' ' HB3' ' A' ' 398' ' ' ASN . 14.3 m -65.24 -34.69 78.96 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.093 -0.503 . . . . 10.0 111.958 -179.376 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -75.99 -35.91 59.42 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.713 0.635 . . . . 10.0 112.713 -179.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 396' ' ' LYS . . . . . 0.648 ' HG2' ' HB2' ' D' ' 587' ' ' ALA . 0.1 OUTLIER -93.5 -28.36 16.12 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 113.914 1.079 . . . . 10.0 113.914 -178.352 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 92.2 mt -98.45 0.74 45.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.776 0.322 . . . . 10.0 111.635 -179.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 398' ' ' ASN . . . . . 0.417 ' HB3' ' O ' ' A' ' 394' ' ' THR . 28.4 t30 . . . . . 0 C--N 1.321 -0.657 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.777 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.456 -0.171 0 CA-C-O 120.836 0.35 . . . . 10.0 110.391 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 400' ' ' LYS . . . . . 0.416 ' HB2' ' NZ ' ' D' ' 400' ' ' LYS . 0.0 OUTLIER -86.94 36.57 0.73 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.05 -179.767 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 75.7 mt -68.61 -43.54 76.19 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.613 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 402' ' ' LEU . . . . . 0.491 ' H ' HD12 ' D' ' 402' ' ' LEU . 5.4 mp -64.58 -32.43 74.08 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.967 -0.561 . . . . 10.0 110.594 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -63.43 -56.44 16.17 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.668 -0.697 . . . . 10.0 109.838 179.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 404' ' ' ASN . . . . . 0.404 ' O ' HG23 ' D' ' 408' ' ' VAL . 63.2 t30 -61.99 -37.64 85.59 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.928 -0.578 . . . . 10.0 109.977 179.501 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -59.29 -40.71 87.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.793 -0.639 . . . . 10.0 110.911 179.227 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -64.23 -44.14 92.78 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 109.951 -0.389 . . . . 10.0 109.951 179.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 5.1 m -59.78 -45.54 91.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.273 178.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 408' ' ' VAL . . . . . 0.404 HG23 ' O ' ' D' ' 404' ' ' ASN . 70.6 t -60.37 -45.32 96.73 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.145 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.381 179.095 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 24.1 m -62.32 -35.14 78.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.07 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 14.4 m -66.84 -34.21 77.31 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.224 179.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 411' ' ' THR . . . . . 0.479 HG22 ' HE2' ' A' ' 363' ' ' LYS . 0.1 OUTLIER -71.32 -27.73 63.6 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 109.509 -0.552 . . . . 10.0 109.509 178.668 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -70.88 -37.21 73.03 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 108.725 -0.842 . . . . 10.0 108.725 177.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 13.0 m -61.86 -43.85 98.01 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 108.97 -0.752 . . . . 10.0 108.97 177.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 414' ' ' LYS . . . . . 0.451 ' HD3' ' HA ' ' D' ' 414' ' ' LYS . 58.3 mmtt -65.41 -28.64 69.4 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.123 -0.49 . . . . 10.0 110.262 178.63 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.04 -45.57 66.84 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 108.29 -1.004 . . . . 10.0 108.29 178.055 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 74.8 mtt180 -63.11 -32.76 74.21 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.412 -0.813 . . . . 10.0 110.219 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -62.87 -38.84 92.47 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.319 0.58 . . . . 10.0 109.865 178.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 418' ' ' GLN . . . . . 0.573 ' O ' ' HB ' ' D' ' 422' ' ' VAL . 46.0 mt-30 -76.55 -37.33 56.8 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.687 -0.688 . . . . 10.0 110.473 179.523 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 62.2 mt -71.04 9.97 0.63 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.008 -0.542 . . . . 10.0 112.174 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -99.97 -79.99 1.48 Allowed Glycine 0 N--CA 1.444 -0.784 0 N-CA-C 110.919 -0.872 . . . . 10.0 110.919 178.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 421' ' ' PRO . . . . . 0.469 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 25.6 Cg_exo -65.31 -41.3 16.36 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.7 2.267 . . . . 10.0 112.203 179.445 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 422' ' ' VAL . . . . . 0.573 ' HB ' ' O ' ' D' ' 418' ' ' GLN . 83.1 t -57.52 -41.45 78.92 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.168 0 N-CA-C 112.381 0.512 . . . . 10.0 112.381 -179.172 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 6.4 p -68.17 -41.15 81.91 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.553 -0.459 . . . . 10.0 110.144 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -62.05 -48.25 81.06 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.796 179.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 425' ' ' GLU . . . . . 0.469 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 11.9 pt-20 -70.69 -32.26 69.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.044 -0.526 . . . . 10.0 110.672 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 426' ' ' PHE . . . . . 0.419 ' O ' ' HG ' ' D' ' 430' ' ' LEU . 24.4 t80 -66.72 -38.32 86.48 Favored 'General case' 0 CA--C 1.52 -0.208 0 N-CA-C 109.175 -0.676 . . . . 10.0 109.175 178.449 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 11.4 m0 -65.82 -39.77 91.19 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.26 -0.644 . . . . 10.0 109.26 178.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -66.25 -38.03 86.88 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.618 -0.882 . . . . 10.0 108.618 178.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -64.11 -47.62 79.29 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.757 -0.831 . . . . 10.0 108.757 177.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 430' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' D' ' 426' ' ' PHE . 74.9 mt -61.39 -37.07 82.09 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.529 -0.759 . . . . 10.0 109.725 179.186 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -61.76 -43.53 98.67 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.222 -0.658 . . . . 10.0 109.222 178.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 23.9 mttp -61.9 -42.91 99.63 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 108.679 -0.86 . . . . 10.0 108.679 178.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -63.0 -45.13 93.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.663 -0.699 . . . . 10.0 110.275 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 6.6 m -62.59 -46.45 88.26 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 110.067 -0.346 . . . . 10.0 110.067 179.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 435' ' ' GLU . . . . . 0.481 ' OE1' ' HD2' ' D' ' 438' ' ' ARG . 4.6 mm-40 -64.47 -43.27 94.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.942 179.467 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -64.06 -43.58 97.09 Favored Glycine 0 N--CA 1.452 -0.296 0 N-CA-C 110.86 -0.896 . . . . 10.0 110.86 178.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 84.2 mt -66.57 -31.65 72.49 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.989 -0.375 . . . . 10.0 109.989 178.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 438' ' ' ARG . . . . . 0.481 ' HD2' ' OE1' ' D' ' 435' ' ' GLU . 50.6 mtt180 -62.75 -35.83 81.06 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 109.952 -0.388 . . . . 10.0 109.952 178.589 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -65.46 -35.77 81.89 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 109.153 -0.684 . . . . 10.0 109.153 178.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 78.1 mt-10 -75.2 -49.83 18.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.862 -0.608 . . . . 10.0 109.63 178.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 97.7 mmm -58.88 -40.28 83.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.741 -0.663 . . . . 10.0 112.76 -178.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 5.7 p -61.56 -49.92 74.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.894 0.378 . . . . 10.0 110.048 179.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -65.15 -39.71 93.35 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.001 -0.545 . . . . 10.0 109.865 179.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 444' ' ' ASP . . . . . 0.443 ' HA ' ' NH2' ' A' ' 330' ' ' ARG . 9.2 t70 -60.76 -56.68 18.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.545 -0.752 . . . . 10.0 111.119 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 86.5 mt -65.83 -43.29 89.01 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.882 -0.599 . . . . 10.0 112.501 -178.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -61.98 -45.3 94.25 Favored 'General case' 0 CA--C 1.518 -0.27 0 C-N-CA 120.764 -0.374 . . . . 10.0 110.312 179.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 447' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -68.49 -36.33 78.78 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.918 -0.401 . . . . 10.0 109.918 178.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 2.0 t -55.19 -39.64 52.04 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.05 0 CA-C-O 120.845 0.355 . . . . 10.0 110.358 179.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -60.78 -39.7 89.82 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.217 0.532 . . . . 10.0 110.196 178.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -89.85 0.39 57.07 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.751 -0.659 . . . . 10.0 111.642 -179.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 451' ' ' LYS . . . . . 0.481 ' HE3' ' CD1' ' A' ' 323' ' ' TYR . 5.3 mmmm -107.2 -45.45 4.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.594 0.235 . . . . 10.0 110.895 179.523 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 82.6 t -64.85 -36.23 77.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.397 -0.365 . . . . 10.0 111.227 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -57.62 -60.9 8.43 Favored Pre-proline 0 CA--C 1.536 0.408 0 C-N-CA 121.06 -0.256 . . . . 10.0 111.644 179.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -66.86 -30.35 40.46 Favored 'Trans proline' 0 C--N 1.353 0.809 0 C-N-CA 121.944 1.762 . . . . 10.0 111.368 178.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 455' ' ' TYR . . . . . 0.405 ' O ' ' HB2' ' D' ' 459' ' ' PHE . 78.4 t80 -61.56 -47.71 84.26 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.229 -0.656 . . . . 10.0 109.229 178.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 21.1 mt -67.19 -37.3 83.44 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.589 -0.732 . . . . 10.0 110.856 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -67.18 -50.83 59.62 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.977 0.418 . . . . 10.0 110.348 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -61.09 -40.37 93.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.592 -0.731 . . . . 10.0 110.437 179.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 459' ' ' PHE . . . . . 0.405 ' HB2' ' O ' ' D' ' 455' ' ' TYR . 1.7 m-85 -70.71 -40.64 72.7 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.458 179.017 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -63.67 -36.69 84.66 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 110.146 -0.316 . . . . 10.0 110.146 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 57.4 mttt -62.97 -37.33 86.69 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 109.011 -0.737 . . . . 10.0 109.011 177.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 15.0 mtmm -71.16 -34.95 71.45 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.099 -0.5 . . . . 10.0 109.975 178.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 38.3 m0 -69.74 -38.75 76.93 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.736 -0.838 . . . . 10.0 108.736 178.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -61.26 -52.1 66.15 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 115.635 -0.711 . . . . 10.0 109.353 178.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 465' ' ' GLU . . . . . 0.532 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 12.5 mt-10 -52.8 -53.71 44.56 Favored 'General case' 0 C--N 1.333 -0.15 0 O-C-N 123.675 0.609 . . . . 10.0 110.152 178.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.18 -40.33 89.62 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.152 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 33.1 ttm -63.07 -46.26 88.28 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 120.98 0.419 . . . . 10.0 110.469 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -64.79 -39.77 94.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.916 -0.583 . . . . 10.0 109.743 178.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 469' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' D' ' 465' ' ' GLU . 97.4 mt -61.98 -39.67 92.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.791 -0.64 . . . . 10.0 110.389 178.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 18.9 m-30 -64.95 -30.93 71.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.918 0.39 . . . . 10.0 110.761 179.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 471' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' D' ' 471' ' ' ARG . 63.2 mtt180 -70.6 -26.97 63.75 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.223 179.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -107.64 2.25 23.76 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.951 -179.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 473' ' ' LYS . . . . . 0.629 ' HG2' HD13 ' A' ' 301' ' ' LEU . 88.8 mttt -127.15 -66.49 0.89 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.477 -0.329 . . . . 10.0 110.907 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 55.6 t -56.43 -44.5 80.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.533 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 475' ' ' GLU . . . . . 0.703 ' HB2' ' HD3' ' D' ' 476' ' ' PRO . 35.7 mt-10 -63.86 -60.73 8.29 Favored Pre-proline 0 CA--C 1.541 0.596 0 N-CA-C 112.25 0.463 . . . . 10.0 112.25 179.525 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 476' ' ' PRO . . . . . 0.703 ' HD3' ' HB2' ' D' ' 475' ' ' GLU . 68.9 Cg_exo -56.67 -39.21 92.92 Favored 'Trans proline' 0 C--N 1.355 0.872 0 C-N-CA 122.385 2.057 . . . . 10.0 111.557 179.047 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 477' ' ' LEU . . . . . 0.516 HD21 ' HG3' ' A' ' 297' ' ' LYS . 19.3 mt -67.86 -31.62 71.56 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 116.485 -0.325 . . . . 10.0 110.815 179.485 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 17.4 ttm180 -64.75 -41.21 96.07 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.265 -0.643 . . . . 10.0 109.265 178.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -71.24 -38.68 71.95 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.726 -0.67 . . . . 10.0 109.807 179.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -64.5 -47.96 76.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.621 -0.718 . . . . 10.0 109.699 179.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 76.9 mt -66.84 -32.11 73.16 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.746 -0.661 . . . . 10.0 110.454 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -66.38 -40.63 89.81 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.584 -0.524 . . . . 10.0 109.584 178.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -70.72 -42.63 70.31 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 109.439 -0.578 . . . . 10.0 109.439 179.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -61.71 -39.51 97.53 Favored Glycine 0 N--CA 1.45 -0.388 0 N-CA-C 110.257 -1.137 . . . . 10.0 110.257 178.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -69.08 -36.58 77.77 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.166 -0.679 . . . . 10.0 109.166 178.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 67.9 mtt180 -62.24 -44.4 96.65 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.126 -0.694 . . . . 10.0 109.126 178.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -63.9 -41.98 97.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.601 -0.727 . . . . 10.0 109.343 178.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -65.09 -36.9 85.77 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.848 -0.615 . . . . 10.0 109.751 178.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 27.8 mt -63.81 -38.73 92.17 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 108.537 -0.912 . . . . 10.0 108.537 178.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -67.59 -42.13 82.97 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 108.48 -0.933 . . . . 10.0 108.48 178.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -57.66 -43.14 84.74 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 108.273 -1.01 . . . . 10.0 108.273 177.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 93.2 mt -67.53 -39.62 85.04 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.583 -0.735 . . . . 10.0 110.705 178.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -58.87 -42.01 88.41 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.769 0.319 . . . . 10.0 110.353 179.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -77.19 13.8 1.06 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.921 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 495' ' ' LYS . . . . . 0.563 ' HE3' HD22 ' A' ' 279' ' ' LEU . 30.0 mttp -128.72 -45.86 1.3 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.113 -0.494 . . . . 10.0 109.745 178.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 496' ' ' LEU . . . . . 0.488 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 96.3 mt -59.77 -33.24 71.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.998 -0.547 . . . . 10.0 111.301 179.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 497' ' ' SER . . . . . 0.509 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 6.0 m -77.23 -65.9 0.35 Allowed Pre-proline 0 CA--C 1.538 0.494 0 CA-C-O 119.424 -0.322 . . . . 10.0 111.571 179.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 498' ' ' PRO . . . . . 0.509 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 25.6 Cg_endo -61.56 -53.02 2.56 Favored 'Trans proline' 0 C--N 1.358 1.065 0 C-N-CA 121.721 1.614 . . . . 10.0 112.574 -179.547 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 499' ' ' LEU . . . . . 0.518 HD21 ' HG2' ' A' ' 275' ' ' LYS . 78.7 mt -68.51 -25.8 65.13 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.915 0.388 . . . . 10.0 110.681 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 500' ' ' GLY . . . . . 0.488 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -71.93 -50.08 19.94 Favored Glycine 0 N--CA 1.448 -0.512 0 N-CA-C 110.45 -1.06 . . . . 10.0 110.45 178.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -63.44 -36.27 83.19 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 108.984 -0.747 . . . . 10.0 108.984 178.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 502' ' ' GLU . . . . . 0.44 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 32.7 tt0 -65.95 -41.2 91.55 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.522 -0.763 . . . . 10.0 109.247 178.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 503' ' ' MET . . . . . 0.432 ' HA ' ' HD2' ' D' ' 506' ' ' ARG . 3.3 tmm? -62.85 -40.42 97.4 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 108.783 -0.821 . . . . 10.0 108.783 178.31 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 504' ' ' ARG . . . . . 0.42 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 97.7 mtt180 -63.08 -43.09 99.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.398 -0.819 . . . . 10.0 109.513 178.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.86 -44.03 97.22 Favored 'General case' 0 N--CA 1.462 0.16 0 N-CA-C 109.675 -0.491 . . . . 10.0 109.675 178.56 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 506' ' ' ARG . . . . . 0.44 ' HG3' ' O ' ' D' ' 502' ' ' GLU . 46.8 mtt180 -60.0 -46.36 89.72 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 108.904 -0.776 . . . . 10.0 108.904 178.199 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -60.14 -41.6 93.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.605 -0.725 . . . . 10.0 109.942 179.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 508' ' ' ARG . . . . . 0.42 ' HG3' ' O ' ' D' ' 504' ' ' ARG . 74.7 mtt180 -60.02 -46.08 90.69 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 109.742 -0.466 . . . . 10.0 109.742 178.572 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 509' ' ' ALA . . . . . 0.694 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -65.74 -34.97 79.42 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.645 -0.707 . . . . 10.0 110.986 179.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 510' ' ' HIS . . . . . 0.579 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 7.3 m-70 -73.68 -49.89 23.59 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.29 -0.414 . . . . 10.0 110.429 179.148 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 62.2 t -62.12 -43.01 97.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.501 . . . . 10.0 110.95 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 512' ' ' ASP . . . . . 0.586 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 11.1 t70 -64.4 -35.45 80.95 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 109.849 -0.426 . . . . 10.0 109.849 179.356 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -68.16 -39.1 82.67 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 108.652 -0.87 . . . . 10.0 108.652 178.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 514' ' ' LEU . . . . . 0.579 ' HG ' ' O ' ' D' ' 510' ' ' HIS . 88.1 mt -61.47 -30.83 70.85 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.126 178.6 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 515' ' ' ARG . . . . . 0.586 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 90.4 mtt180 -68.98 -26.7 65.16 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.123 -0.49 . . . . 10.0 110.213 178.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -105.45 1.87 28.09 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.177 0.513 . . . . 10.0 110.951 179.691 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 25.6 m170 -115.0 -57.64 2.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.245 -0.434 . . . . 10.0 111.54 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 72.5 mt -75.59 -49.39 18.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.947 -0.57 . . . . 10.0 112.449 -178.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 519' ' ' ALA . . . . . 0.642 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -52.63 -56.86 18.81 Favored Pre-proline 0 CA--C 1.534 0.363 0 N-CA-C 112.592 0.589 . . . . 10.0 112.592 -179.49 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 520' ' ' PRO . . . . . 0.642 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 40.7 Cg_exo -60.13 -39.94 64.82 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 121.824 1.683 . . . . 10.0 110.959 179.071 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 521' ' ' TYR . . . . . 0.486 ' O ' ' HG ' ' D' ' 525' ' ' LEU . 20.3 t80 -61.69 -39.37 91.22 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.401 179.695 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 522' ' ' SER . . . . . 0.433 ' O ' ' HG3' ' D' ' 526' ' ' ARG . 45.2 m -63.71 -38.31 90.65 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 109.476 -0.564 . . . . 10.0 109.476 178.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 523' ' ' ASP . . . . . 0.847 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 13.5 t70 -68.31 -39.3 82.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.85 -0.614 . . . . 10.0 109.844 179.155 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -64.66 -42.24 95.54 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 108.552 -0.907 . . . . 10.0 108.552 177.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 525' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' D' ' 521' ' ' TYR . 80.5 mt -64.83 -29.46 70.42 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-N 115.429 -0.805 . . . . 10.0 110.451 178.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 526' ' ' ARG . . . . . 0.847 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 94.0 mtt180 -62.53 -42.77 99.74 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.075 -0.713 . . . . 10.0 109.075 178.295 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -67.76 -39.46 84.17 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.773 -0.649 . . . . 10.0 110.314 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 528' ' ' ARG . . . . . 0.612 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 76.0 mtt180 -71.4 -47.96 52.78 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.782 -0.644 . . . . 10.0 110.932 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 26.7 mt -61.73 -33.72 74.54 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.558 -0.292 . . . . 10.0 110.43 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 530' ' ' ALA . . . . . 0.49 ' O ' ' HB2' ' D' ' 534' ' ' GLU . . . -61.68 -43.61 98.53 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.174 -0.676 . . . . 10.0 109.174 178.325 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -69.71 -40.07 76.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.705 -0.679 . . . . 10.0 109.968 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -62.1 -51.55 67.45 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.821 -0.627 . . . . 10.0 109.915 178.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 533' ' ' LEU . . . . . 0.633 HD23 HD12 ' D' ' 536' ' ' LEU . 75.0 mt -64.87 -33.02 75.02 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.41 178.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 534' ' ' GLU . . . . . 0.748 ' HA ' ' HE3' ' D' ' 537' ' ' LYS . 19.5 tt0 -62.49 -44.4 96.47 Favored 'General case' 0 CA--C 1.518 -0.26 0 N-CA-C 108.911 -0.774 . . . . 10.0 108.911 178.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -66.49 -37.91 86.13 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 108.851 -0.796 . . . . 10.0 108.851 178.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 536' ' ' LEU . . . . . 0.633 HD12 HD23 ' D' ' 533' ' ' LEU . 87.6 mt -67.14 -26.24 66.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.879 178.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 537' ' ' LYS . . . . . 0.748 ' HE3' ' HA ' ' D' ' 534' ' ' GLU . 44.1 mtmt -83.01 -33.94 26.4 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.082 -0.71 . . . . 10.0 109.082 178.457 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -72.16 -57.66 4.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.389 -0.823 . . . . 10.0 109.864 179.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 13.8 m-20 -68.59 -33.34 73.88 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.454 -0.573 . . . . 10.0 109.454 179.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -65.53 -39.79 95.78 Favored Glycine 0 N--CA 1.445 -0.73 0 N-CA-C 110.52 -1.032 . . . . 10.0 110.52 178.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -64.44 -39.17 96.67 Favored Glycine 0 N--CA 1.447 -0.576 0 N-CA-C 109.889 -1.284 . . . . 10.0 109.889 178.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -66.31 -44.59 83.01 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.92 -0.77 . . . . 10.0 108.92 178.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 60.7 mtt85 -60.53 -40.54 91.89 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-N 115.7 -0.682 . . . . 10.0 109.98 178.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 13.8 mt -61.67 -48.44 80.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 10.0 110.141 178.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -62.71 -41.82 99.34 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.714 -0.676 . . . . 10.0 110.099 179.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -65.82 -41.13 92.2 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.821 -0.627 . . . . 10.0 109.967 178.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 547' ' ' TYR . . . . . 0.562 ' HE1' ' HZ ' ' A' ' 228' ' ' PHE . 0.5 OUTLIER -65.02 -34.52 78.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.124 -0.489 . . . . 10.0 109.903 179.084 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -69.91 -43.01 72.57 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.221 -0.659 . . . . 10.0 109.221 178.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -66.25 -51.3 58.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.783 -0.644 . . . . 10.0 110.287 179.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 550' ' ' LYS . . . . . 0.518 ' HD3' HG22 ' A' ' 224' ' ' VAL . 0.1 OUTLIER -65.14 -27.09 68.49 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.054 -0.521 . . . . 10.0 111.63 -179.774 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -66.85 -39.61 87.65 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.079 -0.711 . . . . 10.0 109.079 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 14.9 m -66.54 -44.88 81.2 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.72 -0.844 . . . . 10.0 108.72 178.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -61.61 -49.64 75.79 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 115.693 -0.685 . . . . 10.0 109.862 178.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 79.7 t60 -59.13 -40.36 85.23 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.142 179.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 12.4 tp -64.66 -45.25 87.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.013 -0.54 . . . . 10.0 111.093 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 5.0 p -60.0 -44.25 94.67 Favored 'General case' 0 CA--C 1.529 0.155 0 N-CA-C 111.898 0.333 . . . . 10.0 111.898 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -68.65 -29.96 68.55 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.934 0.397 . . . . 10.0 110.834 179.371 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 22.0 mt -66.59 -50.57 62.61 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 115.973 -0.558 . . . . 10.0 109.645 178.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 1.8 p -67.43 -34.67 77.7 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.616 -0.513 . . . . 10.0 109.616 178.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -58.52 -27.51 64.58 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.436 -0.802 . . . . 10.0 110.45 178.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.35 -41.56 6.99 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.519 179.082 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -56.02 -48.72 75.43 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.577 0.584 . . . . 10.0 112.577 -179.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 563' ' ' LYS . . . . . 0.421 ' HB2' ' HD3' ' D' ' 564' ' ' PRO . 93.4 mttt -54.16 -60.85 6.47 Favored Pre-proline 0 CA--C 1.535 0.377 0 N-CA-C 112.715 0.635 . . . . 10.0 112.715 -179.241 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 564' ' ' PRO . . . . . 0.421 ' HD3' ' HB2' ' D' ' 563' ' ' LYS . 52.6 Cg_endo -68.46 -34.97 18.97 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 121.64 1.56 . . . . 10.0 112.853 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -65.79 -47.02 76.54 Favored 'General case' 0 CA--C 1.516 -0.364 0 C-N-CA 121.208 -0.197 . . . . 10.0 111.224 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 43.2 mt -58.96 -46.74 87.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.485 -0.325 . . . . 10.0 110.253 179.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -65.15 -42.69 93.52 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.481 -0.327 . . . . 10.0 111.189 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.81 -42.47 94.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.411 -0.358 . . . . 10.0 110.41 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 77.5 mt -66.28 -41.64 89.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.004 178.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 570' ' ' ARG . . . . . 0.437 ' O ' ' HG ' ' D' ' 574' ' ' LEU . 66.0 mtt180 -62.43 -52.71 62.49 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.621 179.204 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -66.86 -23.43 66.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.959 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -82.23 -34.02 24.54 Favored Glycine 0 N--CA 1.444 -0.832 0 N-CA-C 111.054 -0.818 . . . . 10.0 111.054 178.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 573' ' ' LEU . . . . . 0.472 ' HA ' ' HB ' ' D' ' 576' ' ' VAL . 20.5 mt -71.77 -25.15 61.91 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 122.072 0.149 . . . . 10.0 111.348 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 574' ' ' LEU . . . . . 0.444 ' HB2' ' HD3' ' D' ' 575' ' ' PRO . 95.4 mt -53.92 -60.47 7.24 Favored Pre-proline 0 CA--C 1.542 0.65 0 O-C-N 123.106 0.254 . . . . 10.0 111.68 179.614 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 575' ' ' PRO . . . . . 0.444 ' HD3' ' HB2' ' D' ' 574' ' ' LEU . 40.9 Cg_endo -69.51 -28.44 26.47 Favored 'Trans proline' 0 C--N 1.357 0.998 0 C-N-CA 121.754 1.636 . . . . 10.0 111.11 178.41 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 576' ' ' VAL . . . . . 0.472 ' HB ' ' HA ' ' D' ' 573' ' ' LEU . 22.4 t -64.08 -50.09 78.56 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.127 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.329 179.238 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 89.3 mt -61.66 -36.06 79.74 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 110.102 -0.333 . . . . 10.0 110.102 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 578' ' ' GLU . . . . . 0.411 ' O ' HG23 ' D' ' 582' ' ' VAL . 54.0 mm-40 -66.01 -47.4 74.58 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 109.553 -0.536 . . . . 10.0 109.553 178.608 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 44.5 m -61.37 -41.1 96.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.791 -0.64 . . . . 10.0 109.98 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -66.04 -35.35 80.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.155 178.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -60.74 -47.42 86.37 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 108.753 -0.832 . . . . 10.0 108.753 178.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 582' ' ' VAL . . . . . 0.411 HG23 ' O ' ' D' ' 578' ' ' GLU . 61.6 t -61.48 -44.25 98.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.357 -0.838 . . . . 10.0 110.313 179.235 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 69.9 m -60.03 -50.68 72.75 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.363 -0.38 . . . . 10.0 110.575 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -61.72 -46.15 90.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.985 -0.552 . . . . 10.0 111.613 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 62.7 mt -57.82 -50.68 72.48 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.745 0.307 . . . . 10.0 111.244 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 4.7 m -66.62 -28.55 68.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.001 0.429 . . . . 10.0 111.387 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 587' ' ' ALA . . . . . 0.648 ' HB2' ' HG2' ' A' ' 396' ' ' LYS . . . -75.26 -57.99 3.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.737 179.537 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 84.2 mt -57.38 -41.37 80.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.471 . . . . 10.0 111.952 -179.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -59.06 -52.46 65.67 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.193 -0.458 . . . . 10.0 110.889 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -68.67 -35.79 77.7 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.128 0.418 . . . . 10.0 112.128 -179.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 9.2 m-30 -60.33 -42.59 95.97 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.86 0.362 . . . . 10.0 110.195 179.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 29.4 m -66.09 -31.92 73.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.498 -0.774 . . . . 10.0 110.739 179.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -79.3 -32.88 43.62 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.328 -0.396 . . . . 10.0 111.001 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 594' ' ' LYS . . . . . 0.821 ' HE2' ' HB2' ' A' ' 388' ' ' SER . 8.8 mptt -73.19 -43.69 60.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.07 0.462 . . . . 10.0 110.273 179.255 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 82.4 mt -98.17 41.51 1.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.421 0.629 . . . . 10.0 109.821 179.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 . . . . . 0 C--N 1.323 -0.578 0 CA-C-N 115.726 -0.67 . . . . 10.0 111.456 -179.131 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 C--O 1.235 0.308 0 CA-C-O 120.932 0.396 . . . . 10.0 111.113 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' THR . . . . . 0.539 ' HB ' ' CE2' ' B' ' 4' ' ' TYR . 0.2 OUTLIER -86.16 128.85 34.96 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.919 -179.681 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -91.45 133.94 35.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.513 -0.312 . . . . 10.0 110.658 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' TYR . . . . . 0.539 ' CE2' ' HB ' ' B' ' 2' ' ' THR . 97.4 m-85 -126.74 111.37 14.17 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.748 -0.464 . . . . 10.0 109.748 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.714 ' HA ' ' HB3' ' B' ' 54' ' ' ASP . 36.9 mttm -78.89 117.63 20.16 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 120.936 0.398 . . . . 10.0 111.119 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.473 HD22 ' HG ' ' B' ' 159' ' ' LEU . 12.6 mt -117.26 123.55 46.86 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.642 -0.708 . . . . 10.0 110.685 -179.093 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . 0.567 HG12 HG22 ' B' ' 9' ' ' VAL . 21.3 t -104.07 120.06 53.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 120.915 0.388 . . . . 10.0 111.335 179.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.583 HG12 ' HD2' ' B' ' 16' ' ' LYS . 42.7 t -98.24 105.9 17.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.317 -0.623 . . . . 10.0 109.317 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.567 HG22 HG12 ' B' ' 7' ' ' VAL . 0.0 OUTLIER -125.84 169.28 17.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.141 0.496 . . . . 10.0 112.104 -178.488 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 146.65 177.84 21.57 Favored Glycine 0 N--CA 1.444 -0.823 0 CA-C-N 115.057 -0.974 . . . . 10.0 111.03 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.11 159.88 30.08 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.815 0.341 . . . . 10.0 110.931 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.29 139.28 42.39 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.883 0.373 . . . . 10.0 111.376 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 98.34 4.07 57.45 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 121.009 -0.615 . . . . 10.0 113.229 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 34.6 m -85.14 -23.37 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 122.445 -0.444 . . . . 10.0 111.865 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 101.01 48.77 1.42 Allowed Glycine 0 C--O 1.223 -0.58 0 C-N-CA 120.654 -0.784 . . . . 10.0 113.031 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . 0.583 ' HD2' HG12 ' B' ' 8' ' ' VAL . 1.9 mtmp? -83.31 -41.39 18.31 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.293 0.568 . . . . 10.0 109.951 179.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.57 -39.64 73.78 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.746 -0.661 . . . . 10.0 109.425 179.588 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.95 -53.93 52.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.913 -0.585 . . . . 10.0 109.856 179.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 8.6 mt -52.82 -49.66 65.25 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.094 -0.503 . . . . 10.0 111.841 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 6.8 m -62.99 -47.44 83.13 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.056 -0.52 . . . . 10.0 111.438 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 86.0 mt -63.82 -36.34 76.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.386 -0.37 . . . . 10.0 111.592 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' GLN . . . . . 0.57 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 5.8 mm-40 -63.88 -26.64 68.7 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.566 -0.288 . . . . 10.0 111.382 179.668 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 4.4 tp -94.55 -37.43 11.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.867 0.365 . . . . 10.0 111.155 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.47 HD13 ' HD3' ' B' ' 42' ' ' LYS . 47.8 mm -77.85 -51.79 17.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 112.299 0.481 . . . . 10.0 112.299 -179.247 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -97.89 -8.17 28.76 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.056 0.391 . . . . 10.0 112.056 -178.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . 0.57 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 55.3 m-80 70.86 10.44 6.99 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 113.785 1.031 . . . . 10.0 113.785 178.577 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -130.03 168.55 16.55 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.578 0.585 . . . . 10.0 112.578 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -103.88 140.24 37.96 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.514 -179.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -92.89 123.64 45.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 109.867 -0.42 . . . . 10.0 109.867 179.122 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.05 8.8 27.89 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.091 0.472 . . . . 10.0 111.374 -178.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -128.0 162.57 26.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.35 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -102.36 119.94 39.65 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.861 -0.422 . . . . 10.0 109.861 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -120.52 102.07 45.55 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 116.233 -0.439 . . . . 10.0 110.626 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -55.23 118.1 4.79 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.952 2.434 . . . . 10.0 111.16 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.01 117.93 35.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.568 -0.287 . . . . 10.0 111.41 -178.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 33.9 mm -72.43 -57.0 8.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 108.672 -0.862 . . . . 10.0 108.672 178.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -168.12 102.15 0.45 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.462 -0.79 . . . . 10.0 109.791 178.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -107.9 171.87 7.16 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.371 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 19.1 m -147.6 131.02 16.66 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.762 0.315 . . . . 10.0 110.474 -179.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -134.52 143.2 47.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.347 -0.388 . . . . 10.0 110.241 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.444 ' HD2' ' OD1' ' B' ' 54' ' ' ASP . 0.7 OUTLIER -116.15 126.2 53.35 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.98 0.419 . . . . 10.0 110.914 -179.907 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . 0.47 ' HD3' HD13 ' B' ' 24' ' ' ILE . 46.2 tptt -124.62 128.86 49.52 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.068 -0.515 . . . . 10.0 110.035 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -106.61 100.37 9.89 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.888 0.375 . . . . 10.0 110.123 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . 0.456 HG23 HG13 ' B' ' 46' ' ' ILE . 3.5 m -124.59 158.3 31.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.158 -0.474 . . . . 10.0 111.007 -179.45 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 3.0 m -94.76 61.37 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.046 0.45 . . . . 10.0 111.917 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . 0.456 HG13 HG23 ' B' ' 44' ' ' VAL . 69.3 mt -67.15 125.89 25.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.856 0.36 . . . . 10.0 111.016 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . 0.696 ' HA ' ' HB2' ' C' ' 128' ' ' LYS . 64.6 m-20 66.13 16.77 10.57 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.509 -0.769 . . . . 10.0 112.141 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.85 -12.7 68.28 Favored Glycine 0 C--O 1.229 -0.207 0 C-N-CA 120.996 -0.621 . . . . 10.0 113.04 179.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -103.11 132.79 49.11 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 122.67 -0.312 . . . . 10.0 110.653 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 1.1 m -69.12 116.45 9.57 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.99 -0.745 . . . . 10.0 108.99 178.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' CYS . . . . . 0.427 ' HB3' ' CE2' ' B' ' 4' ' ' TYR . 0.1 OUTLIER -123.88 146.28 48.53 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.201 0.524 . . . . 10.0 112.047 -178.914 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 25.2 tp -103.31 109.12 20.62 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.425 -0.807 . . . . 10.0 108.984 178.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' B' ' 41' ' ' ARG . 17.2 mt -82.39 121.95 27.37 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.926 -0.579 . . . . 10.0 111.392 -178.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . 0.714 ' HB3' ' HA ' ' B' ' 5' ' ' LYS . 6.0 t70 -102.07 83.48 2.36 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.86 -1.163 . . . . 10.0 107.86 178.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 15.7 mt -85.62 139.41 17.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 112.829 0.678 . . . . 10.0 112.829 -177.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 4.6 tp -131.23 118.85 20.99 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 116.024 -0.534 . . . . 10.0 111.048 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -102.75 90.92 3.96 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 120.922 0.391 . . . . 10.0 110.22 178.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . 0.554 HG21 ' CE1' ' B' ' 71' ' ' TYR . 0.2 OUTLIER -87.01 164.25 16.59 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.965 -0.561 . . . . 10.0 111.121 179.819 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.51 137.85 42.75 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.189 0.518 . . . . 10.0 111.848 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -111.57 48.69 0.91 Allowed Glycine 0 N--CA 1.447 -0.575 0 N-CA-C 110.77 -0.932 . . . . 10.0 110.77 179.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -107.29 15.29 25.18 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.749 0.309 . . . . 10.0 111.434 -179.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 63.48 -173.6 0.16 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.593 -0.73 . . . . 10.0 111.937 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 68.18 3.66 3.76 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 116.044 -0.526 . . . . 10.0 112.189 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -100.6 39.57 1.36 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.418 -0.355 . . . . 10.0 110.562 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 1.5 m -61.29 -34.34 75.05 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.584 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.44 -35.55 30.47 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.993 0.425 . . . . 10.0 110.945 179.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . 0.599 ' HG2' ' HE1' ' B' ' 71' ' ' TYR . 28.2 ttt -74.0 -40.16 63.13 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.277 -0.419 . . . . 10.0 111.983 -179.124 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' ARG . . . . . 0.637 ' HA ' ' CZ ' ' B' ' 71' ' ' TYR . 1.9 ttp180 -54.67 -40.68 69.34 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.277 0.473 . . . . 10.0 112.277 -179.254 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.21 -25.24 65.46 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.131 -0.486 . . . . 10.0 112.259 -178.611 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -69.33 -64.71 0.82 Allowed 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.202 -0.454 . . . . 10.0 111.638 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' TYR . . . . . 0.637 ' CZ ' ' HA ' ' B' ' 68' ' ' ARG . 13.4 p90 -70.98 -21.3 62.33 Favored 'General case' 0 CA--C 1.529 0.157 0 N-CA-C 112.968 0.729 . . . . 10.0 112.968 -178.437 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . 0.489 ' SD ' ' HG2' ' B' ' 99' ' ' GLN . 30.6 mtt -67.95 -25.61 65.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.25 0.548 . . . . 10.0 111.289 179.254 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -85.94 -36.64 19.73 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.663 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 1.4 m -78.67 -41.25 31.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 10.0 111.955 -179.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -66.0 137.81 36.47 Favored Glycine 0 C--O 1.236 0.265 0 C-N-CA 120.924 -0.655 . . . . 10.0 113.156 -178.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -96.73 -47.37 5.91 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.811 0.339 . . . . 10.0 110.212 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -106.16 129.5 9.78 Favored Glycine 0 N--CA 1.445 -0.719 0 N-CA-C 111.146 -0.781 . . . . 10.0 111.146 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . 0.554 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 84.5 m-85 -111.04 126.26 54.61 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.141 0.496 . . . . 10.0 111.587 -179.062 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.817 HD13 HD22 ' B' ' 159' ' ' LEU . 12.1 tp -98.74 114.07 26.43 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.68 -0.691 . . . . 10.0 110.184 179.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . 0.511 ' HB3' HD12 ' B' ' 93' ' ' ILE . 1.9 m -88.85 90.79 8.56 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.728 -0.669 . . . . 10.0 109.572 179.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 4.1 t -91.42 132.63 35.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.573 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 82' ' ' PHE . . . . . 0.493 ' HB3' HD11 ' B' ' 93' ' ' ILE . 21.1 p90 -146.29 157.0 43.76 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 116.141 -0.482 . . . . 10.0 110.403 178.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.551 ' HB3' ' HB3' ' B' ' 86' ' ' ASN . . . -96.0 132.38 41.4 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 109.433 -0.58 . . . . 10.0 109.433 179.105 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 17.4 pt -72.65 1.78 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.047 0.451 . . . . 10.0 111.635 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 33.9 p-10 -125.78 17.99 7.99 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.219 179.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.551 ' HB3' ' HB3' ' B' ' 83' ' ' ALA . 39.0 t-20 -137.53 112.26 8.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.932 -0.576 . . . . 10.0 109.713 179.519 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.11 -37.98 87.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.945 -0.571 . . . . 10.0 112.525 -179.005 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -56.29 -45.51 80.18 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.641 -0.254 . . . . 10.0 110.725 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 1.4 m -65.67 -36.97 85.17 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.88 0.326 . . . . 10.0 111.88 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . 0.464 ' CZ ' HD22 ' B' ' 133' ' ' LEU . 83.8 t80 -67.46 -45.16 76.76 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.788 0.328 . . . . 10.0 111.451 -179.523 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -75.61 -28.09 58.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.215 -0.448 . . . . 10.0 111.598 -179.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.12 -23.02 67.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.667 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 93' ' ' ILE . . . . . 0.511 HD12 ' HB3' ' B' ' 80' ' ' CYS . 45.4 mm -57.65 -42.05 80.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.092 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 58.2 t60 -63.86 -47.59 80.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.725 -0.671 . . . . 10.0 110.549 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -60.83 -43.22 98.55 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.123 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 96' ' ' TYR . . . . . 0.492 ' O ' HG13 ' B' ' 100' ' ' ILE . 7.7 m-85 -64.87 -47.34 78.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.848 -0.615 . . . . 10.0 110.08 178.681 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -55.76 -45.1 78.16 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.817 -0.629 . . . . 10.0 111.799 -179.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -64.56 -35.75 81.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.493 -0.321 . . . . 10.0 111.765 -179.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 99' ' ' GLN . . . . . 0.489 ' HG2' ' SD ' ' B' ' 72' ' ' MET . 60.4 tt0 -71.21 -42.4 69.0 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.939 -0.304 . . . . 10.0 111.304 179.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . 0.492 HG13 ' O ' ' B' ' 96' ' ' TYR . 61.5 mt -56.76 -48.91 80.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-O 120.899 0.381 . . . . 10.0 110.731 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 101' ' ' LYS . . . . . 0.493 ' HE3' ' HB2' ' B' ' 101' ' ' LYS . 34.3 mtmt -64.47 -27.09 68.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.924 -0.58 . . . . 10.0 111.251 -179.594 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 -77.45 -39.47 46.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.666 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 103' ' ' VAL . . . . . 0.437 HG23 ' O ' ' B' ' 99' ' ' GLN . 79.3 t -72.86 -45.6 55.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.952 -0.567 . . . . 10.0 111.437 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -84.82 -10.77 56.84 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 111.697 0.258 . . . . 10.0 111.697 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 17.6 t70 53.4 59.42 4.39 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 121.422 0.63 . . . . 10.0 112.228 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 18.1 t -164.67 146.6 8.3 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.487 -0.779 . . . . 10.0 109.956 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -85.96 -19.78 29.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.098 0.475 . . . . 10.0 110.011 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -95.09 106.85 18.88 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.813 -0.631 . . . . 10.0 110.714 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . 0.479 HG11 HG21 ' B' ' 100' ' ' ILE . 52.1 t -136.27 127.82 17.04 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.24 -179.55 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 110' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 17.4 Cg_exo -68.45 101.65 0.76 Allowed 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.841 2.361 . . . . 10.0 110.798 179.101 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 111' ' ' MET . . . . . 0.554 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 55.0 mtm -128.21 152.94 47.47 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.685 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . 0.407 HG22 ' HG2' ' B' ' 140' ' ' PRO . 39.0 t -136.62 126.31 38.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.108 -0.496 . . . . 10.0 109.77 179.309 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . 0.48 HD12 ' HB2' ' B' ' 80' ' ' CYS . 15.8 tp -85.81 119.46 26.16 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 110.033 -0.358 . . . . 10.0 110.033 -179.691 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 84.9 t -115.34 116.13 51.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 112.406 0.521 . . . . 10.0 112.406 -178.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -102.62 104.59 2.61 Favored Glycine 0 N--CA 1.447 -0.601 0 N-CA-C 110.253 -1.139 . . . . 10.0 110.253 178.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -92.94 167.23 11.95 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.379 0.133 . . . . 10.0 110.971 -178.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . 0.515 ' HB3' HD12 ' B' ' 120' ' ' LEU . 82.5 mttt 65.91 33.96 7.53 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 123.166 0.586 . . . . 10.0 112.224 179.391 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 86.5 m -71.78 -9.63 58.58 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 112.307 0.484 . . . . 10.0 112.307 -179.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -91.2 4.04 53.27 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.012 0.434 . . . . 10.0 110.613 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . 0.515 HD12 ' HB3' ' B' ' 117' ' ' LYS . 31.4 mt -91.49 136.97 26.15 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.11 -0.495 . . . . 10.0 110.232 179.191 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -77.24 158.11 33.47 Favored 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 122.488 2.126 . . . . 10.0 111.416 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 1.1 m 62.67 69.73 0.59 Allowed 'General case' 0 C--O 1.232 0.177 0 CA-C-O 121.475 0.655 . . . . 10.0 111.288 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -88.06 150.52 23.34 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.709 -0.678 . . . . 10.0 111.168 -179.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 25.3 m -81.97 -61.41 1.92 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.672 179.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 125' ' ' VAL . . . . . 0.75 HG13 ' HG3' ' B' ' 129' ' ' GLN . 32.3 t -92.9 123.45 45.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.075 0.464 . . . . 10.0 110.656 179.541 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.4 153.16 33.94 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.627 -0.715 . . . . 10.0 109.405 179.129 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 2.3 m -54.35 -41.38 69.03 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.183 0.438 . . . . 10.0 112.183 -179.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 128' ' ' LYS . . . . . 0.631 ' HB2' ' HA ' ' C' ' 47' ' ' ASP . 12.4 pttt -55.5 -52.47 63.55 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.477 0.547 . . . . 10.0 112.477 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . 0.75 ' HG3' HG13 ' B' ' 125' ' ' VAL . 4.2 pt20 -70.74 -27.7 64.15 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.994 -0.282 . . . . 10.0 111.67 -179.532 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.89 -44.45 76.97 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 121.488 0.661 . . . . 10.0 109.596 179.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -70.9 -29.35 65.4 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.285 -0.87 . . . . 10.0 109.624 178.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -66.56 -33.84 76.57 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.341 -0.845 . . . . 10.0 109.827 178.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 133' ' ' LEU . . . . . 0.464 HD22 ' CZ ' ' B' ' 90' ' ' PHE . 12.4 tp -78.02 -36.94 48.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.605 -0.725 . . . . 10.0 110.6 179.446 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.96 -27.91 69.72 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 121.171 0.51 . . . . 10.0 111.108 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 135' ' ' ARG . . . . . 0.617 HH21 ' HG2' ' C' ' 161' ' ' ARG . 36.7 ttm180 -66.06 -40.44 90.92 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.658 -0.701 . . . . 10.0 111.029 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.65 -30.79 71.81 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.071 -0.513 . . . . 10.0 111.316 -179.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 137' ' ' TYR . . . . . 0.441 ' HB2' HG12 ' B' ' 139' ' ' ILE . 21.1 m-85 -86.39 -30.87 21.81 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.432 179.673 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 85.07 33.79 16.81 Favored Glycine 0 N--CA 1.445 -0.711 0 N-CA-C 110.238 -1.145 . . . . 10.0 110.238 -178.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 139' ' ' ILE . . . . . 0.48 HG21 ' HB2' ' B' ' 111' ' ' MET . 37.5 pt -121.14 157.4 55.59 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 115.268 -0.466 . . . . 10.0 110.758 -178.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 140' ' ' PRO . . . . . 0.407 ' HG2' HG22 ' B' ' 112' ' ' VAL . 92.7 Cg_endo -82.89 141.49 10.71 Favored 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 122.819 2.346 . . . . 10.0 112.579 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -125.01 137.62 54.24 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.46 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 46.7 mt -143.11 132.49 21.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.507 -0.553 . . . . 10.0 109.507 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -73.69 134.36 43.55 Favored 'General case' 0 CA--C 1.522 -0.132 0 N-CA-C 108.709 -0.848 . . . . 10.0 108.709 178.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 144' ' ' THR . . . . . 0.712 HG22 ' HA3' ' B' ' 151' ' ' GLY . 34.5 p -136.66 165.79 25.07 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 113.787 1.032 . . . . 10.0 113.787 -177.487 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 30.2 t -156.01 101.19 2.08 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 107.45 -1.315 . . . . 10.0 107.45 178.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -65.37 -36.98 85.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.503 -0.317 . . . . 10.0 111.388 -178.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -56.67 -42.47 79.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.002 0.43 . . . . 10.0 110.273 178.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 1.6 m -88.24 -7.16 57.22 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.239 0.543 . . . . 10.0 110.3 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 2.9 ttt-85 59.21 42.8 17.99 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.489 -0.778 . . . . 10.0 111.575 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -122.21 113.22 19.16 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.066 -0.516 . . . . 10.0 111.334 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 151' ' ' GLY . . . . . 0.712 ' HA3' HG22 ' B' ' 144' ' ' THR . . . 110.14 -15.43 30.64 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 121.009 -0.615 . . . . 10.0 112.756 179.312 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 152' ' ' VAL . . . . . 0.424 HG23 ' H ' ' B' ' 152' ' ' VAL . 3.0 t -54.0 -52.94 31.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-O 120.932 0.396 . . . . 10.0 111.93 -179.196 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -62.23 -49.22 76.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.943 -0.571 . . . . 10.0 111.571 -179.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -54.7 -47.62 73.47 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.993 -0.548 . . . . 10.0 112.313 -178.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.23 -46.95 88.3 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.251 -0.432 . . . . 10.0 111.551 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -62.76 -43.58 98.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.478 -0.328 . . . . 10.0 111.88 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 17.1 m-30 -62.21 -48.11 81.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.207 -0.451 . . . . 10.0 110.981 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 11.4 m -63.37 -37.89 89.04 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.945 -0.571 . . . . 10.0 112.448 -179.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 159' ' ' LEU . . . . . 0.817 HD22 HD13 ' B' ' 79' ' ' LEU . 44.7 tp -57.87 -48.94 78.37 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.877 0.37 . . . . 10.0 111.089 179.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 96.6 t -69.44 -38.24 76.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.147 0.498 . . . . 10.0 110.554 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 161' ' ' ARG . . . . . 0.498 ' CZ ' ' HB3' ' C' ' 131' ' ' GLN . 16.4 ttp180 -63.83 -36.89 85.38 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.755 -0.657 . . . . 10.0 111.179 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -64.85 -33.66 76.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.849 0.356 . . . . 10.0 110.632 179.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 72.8 mt -66.63 -43.45 90.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 108.46 -0.941 . . . . 10.0 108.46 178.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 77.9 mtt180 -62.48 -43.25 99.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.364 -0.834 . . . . 10.0 109.592 179.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 165' ' ' LYS . . . . . 0.638 ' HB2' ' HD3' ' C' ' 135' ' ' ARG . 13.1 ttmt . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 115.826 -0.624 . . . . 10.0 109.845 178.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.934 0.397 . . . . 10.0 110.792 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -80.32 123.11 27.71 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.213 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -98.96 132.73 44.06 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.691 0.281 . . . . 10.0 110.647 -179.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -122.72 115.19 21.65 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.332 -0.395 . . . . 10.0 110.283 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 5' ' ' LYS . . . . . 0.428 ' HB2' ' HG3' ' C' ' 76' ' ' GLU . 59.9 mttm -90.05 100.34 13.18 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.108 0.48 . . . . 10.0 110.445 -179.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . 0.62 HD13 HD23 ' C' ' 159' ' ' LEU . 17.4 mt -103.47 136.65 42.82 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.55 -0.75 . . . . 10.0 111.144 -178.537 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 14.3 t -116.93 129.23 73.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.235 -0.438 . . . . 10.0 109.887 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.467 HG12 ' HD2' ' C' ' 16' ' ' LYS . 14.2 t -92.67 102.37 13.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.398 -0.593 . . . . 10.0 109.398 179.547 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 17.6 m -104.71 153.52 6.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.614 -178.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 153.7 -170.34 32.42 Favored Glycine 0 N--CA 1.445 -0.704 0 N-CA-C 111.389 -0.684 . . . . 10.0 111.389 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.91 -178.34 6.95 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.799 0.333 . . . . 10.0 110.483 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.37 141.28 33.44 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.272 0.558 . . . . 10.0 111.044 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 13' ' ' GLY . . . . . 0.516 ' HA2' ' HE1' ' C' ' 32' ' ' TYR . . . 88.52 5.34 75.32 Favored Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.704 -0.68 . . . . 10.0 112.375 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 14' ' ' VAL . . . . . 0.426 ' CG2' ' HG3' ' C' ' 16' ' ' LYS . 35.4 m -84.67 -21.46 8.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.696 0.284 . . . . 10.0 111.102 -179.357 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.05 27.69 5.55 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.528 -0.844 . . . . 10.0 113.773 178.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . 0.467 ' HD2' HG12 ' C' ' 8' ' ' VAL . 9.8 mtmt -65.35 -34.69 78.92 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.34 0.59 . . . . 10.0 110.462 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 2.1 m -74.77 -47.03 33.21 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.489 -0.778 . . . . 10.0 109.436 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.36 -46.58 69.62 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.866 -0.606 . . . . 10.0 111.156 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 74.2 mt -59.69 -46.77 88.06 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.262 -0.427 . . . . 10.0 111.386 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 16.9 m -66.44 -40.97 89.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.086 -0.507 . . . . 10.0 111.242 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.14 -35.23 70.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.884 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -68.86 -16.39 63.75 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.837 0.351 . . . . 10.0 111.279 179.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 12.8 tp -92.7 -36.34 12.99 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.147 0.498 . . . . 10.0 110.297 179.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 36.3 mm -90.29 -71.71 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.285 -0.416 . . . . 10.0 111.527 -179.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -72.65 -28.23 62.6 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.529 -0.305 . . . . 10.0 111.268 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 70.09 34.38 2.45 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.617 -0.72 . . . . 10.0 112.227 178.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -137.81 149.1 46.08 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.429 -0.351 . . . . 10.0 111.252 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -89.48 124.39 34.45 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.241 -0.436 . . . . 10.0 110.35 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 17.3 m -83.1 166.05 2.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.246 -0.434 . . . . 10.0 110.915 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -122.25 -46.6 2.17 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.133 -0.485 . . . . 10.0 111.109 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -85.63 139.93 31.0 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.916 -0.584 . . . . 10.0 111.363 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 32' ' ' TYR . . . . . 0.516 ' HE1' ' HA2' ' C' ' 13' ' ' GLY . 35.1 t80 -72.03 129.51 38.7 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.66 -0.7 . . . . 10.0 111.106 -179.293 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -127.07 101.59 25.53 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.16 -0.473 . . . . 10.0 109.76 179.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_exo -53.85 122.52 11.52 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 123.17 2.58 . . . . 10.0 112.779 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 3.5 m -96.18 109.68 22.09 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.101 -0.5 . . . . 10.0 110.512 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 46.1 mm -81.19 -50.81 16.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.068 0.461 . . . . 10.0 109.784 179.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -172.66 94.95 0.13 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.119 -0.697 . . . . 10.0 109.119 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.43 139.19 52.49 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.679 0.276 . . . . 10.0 111.022 -179.313 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.44 139.94 50.63 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.209 -0.45 . . . . 10.0 111.161 -179.255 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -129.67 141.36 50.93 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.431 -0.581 . . . . 10.0 109.431 -179.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . 0.464 ' HA ' ' O ' ' C' ' 53' ' ' LEU . 1.2 mpp_? -120.41 145.78 46.85 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 121.237 -0.185 . . . . 10.0 111.237 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 38.0 tttp -157.73 138.12 12.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.625 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -98.9 123.57 43.25 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.294 -0.632 . . . . 10.0 109.294 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 4.6 m -127.65 -177.29 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 120.937 0.399 . . . . 10.0 111.845 -179.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 10.6 t -115.32 88.8 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.933 -0.576 . . . . 10.0 109.842 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 46' ' ' ILE . . . . . 0.525 HG13 HG11 ' C' ' 160' ' ' VAL . 24.9 mm -85.31 106.86 15.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.41 -0.359 . . . . 10.0 111.498 -178.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 47' ' ' ASP . . . . . 0.631 ' HA ' ' HB2' ' B' ' 128' ' ' LYS . 16.6 m-20 63.78 17.43 10.48 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 115.621 -0.718 . . . . 10.0 111.972 179.16 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.69 -13.54 38.69 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.36 -0.924 . . . . 10.0 112.734 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 49' ' ' GLU . . . . . 0.54 ' HB3' HH22 ' C' ' 164' ' ' ARG . 15.4 tt0 -98.04 145.38 26.58 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.916 0.388 . . . . 10.0 111.324 -179.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 5.5 m -74.37 123.73 25.17 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.805 -0.634 . . . . 10.0 109.594 178.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 10.9 m -138.54 144.07 39.75 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.116 0.484 . . . . 10.0 111.876 -179.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 46.4 tp -107.47 127.82 53.95 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.659 -0.701 . . . . 10.0 109.297 178.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . 0.464 ' O ' ' HA ' ' C' ' 41' ' ' ARG . 47.3 mt -102.22 119.83 39.46 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 112.642 0.608 . . . . 10.0 112.642 -178.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -102.51 88.77 3.34 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 107.248 -1.389 . . . . 10.0 107.248 177.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 55' ' ' ILE . . . . . 0.555 ' HA ' ' O ' ' C' ' 6' ' ' LEU . 54.6 mt -99.32 134.3 38.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.904 -0.589 . . . . 10.0 112.326 -177.519 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 6.8 tt -129.49 124.49 34.1 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.607 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -98.17 131.88 44.16 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.988 -0.375 . . . . 10.0 109.988 179.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 58' ' ' THR . . . . . 0.478 HG21 ' CE1' ' C' ' 71' ' ' TYR . 0.0 OUTLIER -112.65 172.56 6.85 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.418 -0.355 . . . . 10.0 110.873 179.668 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 59' ' ' ALA . . . . . 0.405 ' HB3' ' CE2' ' C' ' 64' ' ' TYR . . . -85.82 141.23 29.79 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.949 0.404 . . . . 10.0 110.979 -179.693 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -111.63 37.01 3.88 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.841 -0.695 . . . . 10.0 111.55 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -100.52 16.31 25.09 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.844 0.354 . . . . 10.0 111.21 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 62' ' ' GLU . . . . . 0.445 ' OE1' ' HA ' ' C' ' 62' ' ' GLU . 0.6 OUTLIER 63.1 -175.17 0.15 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.578 -0.737 . . . . 10.0 111.77 -179.458 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 70.98 23.79 4.17 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.39 0.614 . . . . 10.0 110.349 -179.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 64' ' ' TYR . . . . . 0.405 ' CE2' ' HB3' ' C' ' 59' ' ' ALA . 66.0 m-85 -124.33 26.97 7.19 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.464 -0.789 . . . . 10.0 110.508 -179.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.89 -27.58 66.83 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.776 -179.503 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -82.28 -49.98 9.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.903 0.382 . . . . 10.0 111.61 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 22.8 ttp -72.64 -9.24 58.37 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.985 -0.552 . . . . 10.0 112.267 -178.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -49.97 75.89 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.054 -0.521 . . . . 10.0 111.083 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.74 -34.72 67.81 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.787 -0.642 . . . . 10.0 112.141 -179.278 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -52.39 -56.2 16.58 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 112.739 0.644 . . . . 10.0 112.739 -179.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 71' ' ' TYR . . . . . 0.478 ' CE1' HG21 ' C' ' 58' ' ' THR . 42.5 p90 -86.82 -16.64 35.57 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.675 0.62 . . . . 10.0 112.675 -178.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 72' ' ' MET . . . . . 0.438 ' HA ' ' CZ ' ' C' ' 78' ' ' PHE . 39.8 mtt -77.69 -37.74 48.99 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.997 0.427 . . . . 10.0 111.515 179.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 73' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' C' ' 73' ' ' ARG . 39.4 ttm105 -71.86 -29.29 64.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.311 -0.404 . . . . 10.0 110.809 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -98.3 8.18 45.19 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.536 -179.286 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -95.3 131.07 10.54 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.522 -0.847 . . . . 10.0 112.499 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . 0.428 ' HG3' ' HB2' ' C' ' 5' ' ' LYS . 32.2 mt-10 -95.57 -36.86 11.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.174 0.511 . . . . 10.0 110.476 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -133.11 129.93 5.59 Favored Glycine 0 N--CA 1.45 -0.384 0 N-CA-C 110.592 -1.003 . . . . 10.0 110.592 179.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 78' ' ' PHE . . . . . 0.743 ' HB2' ' HG2' ' C' ' 111' ' ' MET . 95.8 m-85 -112.9 120.68 42.24 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 112.49 0.552 . . . . 10.0 112.49 -178.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 79' ' ' LEU . . . . . 0.477 ' HB2' HD22 ' C' ' 159' ' ' LEU . 25.0 tp -96.87 110.28 22.81 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.769 -0.65 . . . . 10.0 109.44 179.143 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 80' ' ' CYS . . . . . 0.736 ' HB3' HD12 ' C' ' 93' ' ' ILE . 28.7 m -88.03 103.82 16.07 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.707 -0.479 . . . . 10.0 109.707 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 81' ' ' VAL . . . . . 0.423 ' HB ' ' HG2' ' C' ' 16' ' ' LYS . 64.5 t -104.46 127.35 58.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.882 -0.599 . . . . 10.0 111.325 -179.043 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 27.5 p90 -132.65 165.83 23.56 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.964 -0.562 . . . . 10.0 109.516 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 83' ' ' ALA . . . . . 0.591 ' HB3' ' HB3' ' C' ' 86' ' ' ASN . . . -103.65 128.76 50.92 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 110.04 -0.356 . . . . 10.0 110.04 179.623 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 84' ' ' ILE . . . . . 0.72 HD12 ' HB3' ' C' ' 123' ' ' ARG . 2.3 pt -65.59 -20.02 26.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.052 0.453 . . . . 10.0 111.275 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 21.2 p-10 -98.36 12.28 35.39 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.921 -0.581 . . . . 10.0 111.022 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 86' ' ' ASN . . . . . 0.591 ' HB3' ' HB3' ' C' ' 83' ' ' ALA . 27.1 t-20 -143.88 97.07 3.0 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.826 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.42 -28.23 68.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.872 -0.604 . . . . 10.0 112.253 -179.389 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 88' ' ' LYS . . . . . 0.418 ' HB3' ' OD1' ' C' ' 86' ' ' ASN . 26.9 tptp -52.42 -52.09 55.71 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.251 -0.431 . . . . 10.0 111.103 179.602 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 35.7 p -63.46 -34.09 76.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.159 -0.473 . . . . 10.0 111.896 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -62.99 -41.64 99.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.774 0.321 . . . . 10.0 110.707 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -74.75 -34.15 62.46 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.736 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.35 -28.09 66.52 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.622 -0.717 . . . . 10.0 111.403 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 93' ' ' ILE . . . . . 0.736 HD12 ' HB3' ' C' ' 80' ' ' CYS . 47.5 mm -54.94 -44.79 74.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.957 -0.565 . . . . 10.0 111.462 179.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -59.47 -44.6 92.97 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.122 0.487 . . . . 10.0 110.592 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 84.7 m-70 -60.54 -38.96 86.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.745 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -74.7 -40.27 61.45 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.014 -0.539 . . . . 10.0 111.123 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 97' ' ' ARG . . . . . 0.587 ' HD3' ' OE1' ' C' ' 98' ' ' GLU . 9.7 ttt180 -58.22 -49.4 77.19 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.874 0.369 . . . . 10.0 110.731 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . 0.587 ' OE1' ' HD3' ' C' ' 97' ' ' ARG . 35.7 mm-40 -65.71 -33.56 76.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.56 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 99' ' ' GLN . . . . . 0.463 ' O ' HG23 ' C' ' 103' ' ' VAL . 3.9 mt-30 -66.04 -48.89 69.58 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.903 -0.589 . . . . 10.0 110.499 179.105 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 73.8 mt -55.59 -46.47 79.16 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.74 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 101' ' ' LYS . . . . . 0.462 ' HE3' ' HA ' ' C' ' 98' ' ' GLU . 14.5 mtmt -67.06 -27.14 67.14 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.893 -0.594 . . . . 10.0 111.307 -179.614 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 9.0 tmm_? -76.62 -36.37 57.48 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.961 0.41 . . . . 10.0 110.286 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 103' ' ' VAL . . . . . 0.463 HG23 ' O ' ' C' ' 99' ' ' GLN . 60.7 t -74.35 -44.06 48.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 10.0 111.04 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 30.5 mtpp -86.15 -10.2 55.23 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 111.964 0.357 . . . . 10.0 111.964 -178.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 3.7 t70 54.47 52.27 12.67 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.618 0.723 . . . . 10.0 111.499 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 57.2 m -158.15 138.55 12.65 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.58 -0.736 . . . . 10.0 109.619 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 36.8 tp10 -80.8 -32.12 35.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.174 0.511 . . . . 10.0 110.572 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.33 98.09 11.5 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.991 -0.549 . . . . 10.0 111.093 -179.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 109' ' ' VAL . . . . . 0.403 ' HA ' ' HD3' ' C' ' 110' ' ' PRO . 56.3 t -128.39 129.94 23.57 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 116.07 -0.514 . . . . 10.0 110.126 179.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 110' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' C' ' 109' ' ' VAL . 31.4 Cg_exo -60.31 111.17 0.93 Allowed 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.721 2.281 . . . . 10.0 111.124 179.126 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 111' ' ' MET . . . . . 0.743 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 63.8 mtm -143.39 153.68 42.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.426 -179.622 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 112' ' ' VAL . . . . . 0.424 HG12 HG23 ' C' ' 114' ' ' VAL . 74.7 t -136.69 135.97 48.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 109.334 -0.617 . . . . 10.0 109.334 179.296 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 113' ' ' LEU . . . . . 0.421 ' O ' ' HA ' ' C' ' 141' ' ' PHE . 22.2 tp -97.09 116.05 28.59 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 109.432 -0.581 . . . . 10.0 109.432 179.589 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 114' ' ' VAL . . . . . 0.424 HG23 HG12 ' C' ' 112' ' ' VAL . 41.2 t -123.27 127.46 74.43 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-O 120.967 0.413 . . . . 10.0 111.36 -178.669 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -96.94 131.8 10.75 Favored Glycine 0 N--CA 1.442 -0.932 0 N-CA-C 110.229 -1.148 . . . . 10.0 110.229 178.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -108.31 162.3 14.22 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.943 0.371 . . . . 10.0 110.889 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 90.8 mttt 62.75 27.53 16.13 Favored 'General case' 0 N--CA 1.46 0.071 0 O-C-N 123.737 0.648 . . . . 10.0 111.569 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 118' ' ' CYS . . . . . . . . . . . . . 71.2 m -65.16 -9.3 21.97 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 113.318 0.859 . . . . 10.0 113.318 -179.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -95.02 2.61 55.33 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.737 0.304 . . . . 10.0 111.38 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 30.1 mt -84.67 136.06 39.83 Favored Pre-proline 0 C--N 1.327 -0.388 0 C-N-CA 121.006 -0.278 . . . . 10.0 110.634 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -67.01 144.13 68.66 Favored 'Trans proline' 0 C--O 1.235 0.342 0 C-N-CA 123.068 2.512 . . . . 10.0 112.381 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 7.1 m 66.42 88.2 0.11 Allowed 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.646 -0.706 . . . . 10.0 111.97 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 123' ' ' ARG . . . . . 0.72 ' HB3' HD12 ' C' ' 84' ' ' ILE . 8.2 ptp180 -97.67 143.86 27.9 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.969 -0.559 . . . . 10.0 111.182 179.632 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.71 -37.24 13.84 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.178 0.513 . . . . 10.0 110.172 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 59.2 t -89.89 126.19 42.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.569 -0.741 . . . . 10.0 109.53 179.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -80.45 143.3 33.51 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.371 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.23 -50.65 72.82 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.321 -0.399 . . . . 10.0 110.918 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 128' ' ' LYS . . . . . 0.696 ' HB2' ' HA ' ' B' ' 47' ' ' ASP . 0.0 OUTLIER -57.19 -40.24 77.0 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 113.072 0.767 . . . . 10.0 113.072 -179.381 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -68.7 -38.68 80.45 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 120.495 -0.482 . . . . 10.0 111.186 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -70.89 -36.9 72.94 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 121.024 0.44 . . . . 10.0 110.014 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 131' ' ' GLN . . . . . 0.498 ' HB3' ' CZ ' ' B' ' 161' ' ' ARG . 96.7 mt-30 -65.25 -46.28 81.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.718 -0.674 . . . . 10.0 110.597 179.404 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -65.54 -37.54 87.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 10.0 111.04 179.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 22.6 tp -60.45 -49.04 79.14 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.209 -0.45 . . . . 10.0 109.926 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.04 -38.92 93.1 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.009 179.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 135' ' ' ARG . . . . . 0.638 ' HD3' ' HB2' ' B' ' 165' ' ' LYS . 5.3 tmm_? -63.26 -42.55 99.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.595 -0.729 . . . . 10.0 110.134 179.266 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 7.4 t -61.28 -35.3 76.94 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.056 -0.52 . . . . 10.0 111.585 -179.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -86.67 -33.07 20.19 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.265 0.469 . . . . 10.0 112.265 -179.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 102.99 29.25 5.86 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.819 -0.705 . . . . 10.0 112.549 179.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 36.0 pt -120.09 148.46 46.99 Favored Pre-proline 0 C--N 1.32 -0.708 0 N-CA-C 110.084 -0.339 . . . . 10.0 110.084 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -70.82 141.58 41.23 Favored 'Trans proline' 0 C--O 1.234 0.302 0 C-N-CA 122.894 2.396 . . . . 10.0 111.595 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 141' ' ' PHE . . . . . 0.421 ' HA ' ' O ' ' C' ' 113' ' ' LEU . 69.4 t80 -116.92 127.41 54.21 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.369 -0.378 . . . . 10.0 110.336 179.616 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 142' ' ' ILE . . . . . 0.448 ' CD1' ' HA ' ' C' ' 155' ' ' ALA . 47.5 mt -129.63 133.82 64.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 116.278 -0.419 . . . . 10.0 111.396 -179.463 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.22 124.21 41.23 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 108.646 -0.872 . . . . 10.0 108.646 178.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 144' ' ' THR . . . . . 0.409 HG22 ' HA3' ' C' ' 151' ' ' GLY . 14.8 p -143.39 -177.39 5.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.707 0.765 . . . . 10.0 112.945 -178.183 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 145' ' ' SER . . . . . 0.426 ' HB3' ' OG1' ' C' ' 148' ' ' THR . 26.0 t -150.96 125.74 9.7 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.022 -1.103 . . . . 10.0 108.022 178.658 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -71.99 -20.89 61.65 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.15 0.5 . . . . 10.0 110.381 -179.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 5.6 ttpm? -73.83 -46.98 41.76 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.718 -0.674 . . . . 10.0 110.861 179.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 148' ' ' THR . . . . . 0.426 ' OG1' ' HB3' ' C' ' 145' ' ' SER . 7.9 p -81.8 -23.93 36.25 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.912 -0.315 . . . . 10.0 110.7 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 149' ' ' ARG . . . . . 0.44 ' O ' ' HG3' ' C' ' 149' ' ' ARG . 0.5 OUTLIER 69.32 7.32 6.17 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 123.648 0.779 . . . . 10.0 112.48 -179.903 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -80.46 126.41 31.17 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.966 -0.561 . . . . 10.0 111.002 -179.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 151' ' ' GLY . . . . . 0.409 ' HA3' HG22 ' C' ' 144' ' ' THR . . . 90.09 -15.23 60.06 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 121.081 -0.581 . . . . 10.0 112.853 179.441 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 92.4 t -57.11 -43.44 81.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-O 121.148 0.499 . . . . 10.0 111.402 -179.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -65.46 -45.42 83.82 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.296 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -63.62 -36.39 83.66 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.073 -0.512 . . . . 10.0 111.605 -179.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 155' ' ' ALA . . . . . 0.448 ' HA ' ' CD1' ' C' ' 142' ' ' ILE . . . -59.15 -53.37 59.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.308 179.519 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -64.91 -37.41 87.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.13 -0.487 . . . . 10.0 110.765 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -60.21 -45.71 92.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.027 0.442 . . . . 10.0 110.653 179.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 158' ' ' THR . . . . . 0.401 ' HA ' ' HE ' ' C' ' 161' ' ' ARG . 30.3 m -62.87 -37.77 88.22 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.543 179.495 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 159' ' ' LEU . . . . . 0.62 HD23 HD13 ' C' ' 6' ' ' LEU . 23.3 tp -59.4 -39.44 83.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.073 0.463 . . . . 10.0 110.015 179.14 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 160' ' ' VAL . . . . . 0.525 HG11 HG13 ' C' ' 46' ' ' ILE . 98.3 t -68.08 -40.84 83.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.858 179.301 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 161' ' ' ARG . . . . . 0.617 ' HG2' HH21 ' B' ' 135' ' ' ARG . 0.0 OUTLIER -64.33 -34.42 78.11 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.337 0.495 . . . . 10.0 112.337 -179.205 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -59.78 -37.38 78.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.869 0.366 . . . . 10.0 110.864 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 65.6 mt -66.32 -40.97 88.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 109.648 -0.501 . . . . 10.0 109.648 178.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 164' ' ' ARG . . . . . 0.612 HH12 ' HB2' ' C' ' 47' ' ' ASP . 98.9 mtt180 -65.18 -40.08 93.76 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.882 -0.599 . . . . 10.0 109.896 179.044 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -64.53 -48.37 75.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.467 -0.788 . . . . 10.0 110.09 179.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -57.8 -46.76 84.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.706 -0.679 . . . . 10.0 110.852 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 97.6 mttt . . . . . 0 C--N 1.326 -0.437 0 N-CA-C 112.243 0.46 . . . . 10.0 112.243 -179.422 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 8.4 tmtm? . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.772 0.32 . . . . 10.0 111.133 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 96.0 mt -71.57 -23.92 61.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.434 . . . . 10.0 111.409 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 73.5 mt -79.03 -50.26 11.36 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.886 0.374 . . . . 10.0 111.19 -179.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -63.47 -45.65 89.82 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.87 -0.604 . . . . 10.0 111.169 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -62.68 -31.3 72.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.846 -0.615 . . . . 10.0 110.664 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 24.5 t90 -67.81 -35.57 78.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.764 -0.653 . . . . 10.0 110.226 179.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -63.62 -38.28 90.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.909 0.385 . . . . 10.0 110.128 179.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 1.6 m -63.28 -42.99 99.16 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.003 -0.544 . . . . 10.0 109.638 178.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 61.7 t -67.01 -39.25 82.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 109.275 -0.639 . . . . 10.0 109.275 178.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 84.8 m -61.39 -46.91 88.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.746 -0.661 . . . . 10.0 110.63 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.6 -30.99 72.01 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.062 0.458 . . . . 10.0 110.375 179.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 47.3 m -65.82 -42.41 90.64 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 108.449 -0.945 . . . . 10.0 108.449 177.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -68.1 -35.25 77.86 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.496 -0.775 . . . . 10.0 110.193 179.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 13.7 m -62.35 -49.9 73.74 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.447 -0.575 . . . . 10.0 109.447 178.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 28.3 mmtp -64.23 -33.93 76.93 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.121 179.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 20.5 mt -65.01 -46.02 83.12 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.274 178.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 218' ' ' ARG . . . . . 0.502 ' HA ' HD12 ' A' ' 221' ' ' LEU . 82.1 mtt180 -62.92 -33.41 75.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.091 0.472 . . . . 10.0 110.187 179.239 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -68.78 -39.45 80.16 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.533 -0.758 . . . . 10.0 110.21 178.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -75.82 -33.16 60.07 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.243 179.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 221' ' ' LEU . . . . . 0.502 HD12 ' HA ' ' A' ' 218' ' ' ARG . 24.8 mt -52.99 -34.58 56.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.761 -0.654 . . . . 10.0 111.105 179.334 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -57.87 -70.56 0.95 Allowed Glycine 0 C--N 1.334 0.428 0 N-CA-C 111.274 -0.731 . . . . 10.0 111.274 178.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -53.54 -40.96 77.06 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.508 2.139 . . . . 10.0 111.544 178.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 224' ' ' VAL . . . . . 0.47 ' O ' ' HB2' ' A' ' 228' ' ' PHE . 21.2 t -55.86 -52.86 44.38 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.156 0 CA-C-N 116.619 -0.264 . . . . 10.0 111.494 179.494 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 7.7 p -64.17 -38.76 92.22 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.73 -0.388 . . . . 10.0 110.797 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 226' ' ' GLN . . . . . 0.431 HE21 ' HB3' ' A' ' 226' ' ' GLN . 6.2 mt-30 -60.08 -51.19 70.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.35 -0.386 . . . . 10.0 110.457 179.189 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -65.78 -42.86 90.28 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.343 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 228' ' ' PHE . . . . . 0.47 ' HB2' ' O ' ' A' ' 224' ' ' VAL . 0.2 OUTLIER -59.72 -51.91 67.74 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.048 -0.524 . . . . 10.0 110.798 179.452 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 19.9 m95 -64.82 -37.83 88.94 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 116.423 -0.353 . . . . 10.0 111.265 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -61.43 -50.42 72.89 Favored 'General case' 0 C--N 1.333 -0.117 0 N-CA-C 109.663 -0.495 . . . . 10.0 109.663 178.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 231' ' ' ASN . . . . . 0.788 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 81.0 m-20 -66.12 -39.11 89.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.358 179.082 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 11.5 mt -62.45 -38.43 89.73 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.711 -0.477 . . . . 10.0 109.711 178.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 233' ' ' GLU . . . . . 0.526 ' HA ' ' OG1' ' A' ' 236' ' ' THR . 4.9 mm-40 -68.54 -25.77 65.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.729 178.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 234' ' ' LYS . . . . . 0.788 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 69.7 mttt -71.94 -40.45 68.73 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.053 -1.091 . . . . 10.0 108.053 177.43 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 235' ' ' GLU . . . . . 0.438 ' HG3' ' ND2' ' D' ' 539' ' ' ASN . 45.4 mt-10 -69.24 -45.08 70.65 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 114.98 -1.009 . . . . 10.0 110.09 179.316 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 236' ' ' THR . . . . . 0.526 ' OG1' ' HA ' ' A' ' 233' ' ' GLU . 18.4 p -65.0 -40.04 94.35 Favored 'General case' 0 C--O 1.223 -0.323 0 N-CA-C 109.568 -0.53 . . . . 10.0 109.568 178.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 237' ' ' GLU . . . . . 0.51 ' HA ' ' HD2' ' A' ' 240' ' ' ARG . 22.4 tt0 -58.89 -43.93 91.06 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 109.222 -0.659 . . . . 10.0 109.222 178.472 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -63.53 -45.49 94.62 Favored Glycine 0 N--CA 1.444 -0.783 0 N-CA-C 110.304 -1.118 . . . . 10.0 110.304 178.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 72.8 mt -63.48 -26.09 68.56 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.722 0.296 . . . . 10.0 110.684 179.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 240' ' ' ARG . . . . . 0.51 ' HD2' ' HA ' ' A' ' 237' ' ' GLU . 60.6 mtt180 -72.67 -40.0 66.65 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.125 -0.694 . . . . 10.0 109.125 178.467 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -68.92 -43.68 74.65 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.229 -1.026 . . . . 10.0 108.229 177.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -69.14 -21.47 64.01 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.194 -0.912 . . . . 10.0 110.995 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 49.9 ttm -64.41 -38.69 91.9 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.198 0.523 . . . . 10.0 109.615 178.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 244' ' ' SER . . . . . 0.585 ' HA ' ' HG2' ' A' ' 248' ' ' GLU . 2.1 m -76.61 7.14 4.86 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.39 -0.823 . . . . 10.0 110.044 179.227 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -120.97 -58.84 1.78 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.36 -0.607 . . . . 10.0 109.36 178.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 246' ' ' ASP . . . . . 0.606 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 1.5 m-20 -56.27 -54.34 46.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 10.0 111.245 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 247' ' ' LEU . . . . . 0.432 ' O ' HG12 ' A' ' 250' ' ' VAL . 63.1 mt -77.46 -45.44 25.7 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.845 0.683 . . . . 10.0 112.845 -178.552 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 248' ' ' GLU . . . . . 0.585 ' HG2' ' HA ' ' A' ' 244' ' ' SER . 70.4 mm-40 -61.01 -49.44 77.41 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.366 0.506 . . . . 10.0 112.366 -179.182 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -67.6 -37.91 83.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.416 -0.357 . . . . 10.0 110.701 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 250' ' ' VAL . . . . . 0.743 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 0.9 OUTLIER -67.45 -28.07 40.85 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.343 0 C-N-CA 120.428 -0.509 . . . . 10.0 110.79 179.551 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 251' ' ' LYS . . . . . 0.446 ' O ' HG12 ' A' ' 254' ' ' VAL . 56.1 mttt -78.08 -40.87 37.17 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 109.917 -0.401 . . . . 10.0 109.917 178.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -68.77 -36.64 78.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.798 -0.637 . . . . 10.0 109.958 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -83.83 -25.48 30.32 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.698 -0.683 . . . . 10.0 112.167 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 254' ' ' VAL . . . . . 0.743 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.5 OUTLIER -62.71 -26.37 40.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.9 0.381 . . . . 10.0 110.616 179.561 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 255' ' ' GLN . . . . . 0.554 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 44.9 mt-30 -61.78 -63.22 4.52 Favored Pre-proline 0 N--CA 1.452 -0.374 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.438 179.624 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 256' ' ' PRO . . . . . 0.554 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 36.7 Cg_endo -66.92 -32.08 36.49 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 121.799 1.666 . . . . 10.0 111.751 178.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 4.6 m-30 -61.87 -55.87 25.21 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.868 0.366 . . . . 10.0 110.461 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 43.2 mt -68.18 -31.97 71.89 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 115.954 -0.567 . . . . 10.0 111.027 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 259' ' ' ASP . . . . . 0.428 ' O ' ' HB2' ' A' ' 263' ' ' LYS . 8.1 t70 -67.33 -44.94 77.86 Favored 'General case' 0 C--O 1.224 -0.274 0 N-CA-C 110.124 -0.325 . . . . 10.0 110.124 179.18 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -61.51 -48.29 81.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.016 -0.538 . . . . 10.0 109.786 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 261' ' ' PHE . . . . . 0.5 ' O ' ' HB2' ' A' ' 265' ' ' TRP . 13.6 m-85 -65.04 -40.61 95.04 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 115.876 -0.602 . . . . 10.0 111.16 179.541 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -66.51 -42.29 87.55 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.775 -0.454 . . . . 10.0 109.775 179.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 263' ' ' LYS . . . . . 0.428 ' HB2' ' O ' ' A' ' 259' ' ' ASP . 11.8 ttmm -56.55 -53.4 58.04 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.126 -0.694 . . . . 10.0 109.126 178.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 264' ' ' LYS . . . . . 0.532 ' O ' ' HG3' ' A' ' 268' ' ' GLU . 75.2 mttt -66.62 -35.61 80.6 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.49 -0.777 . . . . 10.0 111.125 179.474 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 265' ' ' TRP . . . . . 0.5 ' HB2' ' O ' ' A' ' 261' ' ' PHE . 0.1 OUTLIER -62.37 -43.77 98.03 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 120.978 0.418 . . . . 10.0 110.39 179.417 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -61.59 -41.29 97.21 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.364 -0.606 . . . . 10.0 109.364 178.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 267' ' ' GLU . . . . . 0.435 ' O ' ' HG ' ' A' ' 271' ' ' LEU . 43.3 mt-10 -66.19 -36.64 83.61 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.682 -0.69 . . . . 10.0 109.835 178.421 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 268' ' ' GLU . . . . . 0.573 ' HG2' ' HD3' ' D' ' 506' ' ' ARG . 28.0 mt-10 -63.15 -46.19 88.34 Favored 'General case' 0 CA--C 1.519 -0.217 0 N-CA-C 108.385 -0.969 . . . . 10.0 108.385 177.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 87.8 mmm -61.73 -38.8 89.27 Favored 'General case' 0 C--O 1.225 -0.21 0 CA-C-N 115.705 -0.679 . . . . 10.0 109.832 178.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -63.55 -43.27 97.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.151 -0.477 . . . . 10.0 109.8 178.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 271' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 267' ' ' GLU . 88.6 mt -66.06 -36.38 83.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.768 -0.651 . . . . 10.0 109.693 178.609 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -68.06 -41.12 82.46 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.455 -0.572 . . . . 10.0 109.455 178.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 63.2 mtt180 -63.28 -45.86 89.52 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 115.921 -0.582 . . . . 10.0 110.916 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -72.48 -8.01 52.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.367 -0.379 . . . . 10.0 111.927 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 275' ' ' LYS . . . . . 0.826 ' HG2' HD21 ' D' ' 499' ' ' LEU . 9.9 mptt -104.57 -45.95 4.49 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.504 -0.317 . . . . 10.0 110.965 179.21 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 8.6 p -54.98 -33.48 29.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 112.676 0.621 . . . . 10.0 112.676 -179.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 277' ' ' GLU . . . . . 0.418 ' HB2' ' HD3' ' A' ' 278' ' ' PRO . 57.4 mt-10 -66.94 -61.55 4.76 Favored Pre-proline 0 C--N 1.329 -0.3 0 C-N-CA 120.841 -0.344 . . . . 10.0 111.915 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 278' ' ' PRO . . . . . 0.418 ' HD3' ' HB2' ' A' ' 277' ' ' GLU . 34.4 Cg_endo -66.0 -37.66 25.43 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 121.882 1.721 . . . . 10.0 112.172 178.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 279' ' ' LEU . . . . . 0.861 HD22 ' HE3' ' D' ' 495' ' ' LYS . 22.8 mt -62.96 -40.36 97.46 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 121.027 -0.269 . . . . 10.0 110.692 179.267 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 37.3 ttm180 -66.41 -32.97 74.69 Favored 'General case' 0 C--N 1.334 -0.085 0 N-CA-C 109.406 -0.591 . . . . 10.0 109.406 178.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -66.0 -49.2 68.61 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.009 -0.737 . . . . 10.0 109.009 178.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -60.0 -45.28 93.28 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.686 -0.688 . . . . 10.0 109.444 178.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 20.9 mt -60.36 -44.41 95.6 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 115.654 -0.703 . . . . 10.0 110.674 179.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -65.5 -47.44 75.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.682 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -59.91 -48.01 83.44 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.757 -0.46 . . . . 10.0 109.757 179.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -62.46 -46.02 94.69 Favored Glycine 0 N--CA 1.441 -1.033 0 N-CA-C 111.337 -0.705 . . . . 10.0 111.337 179.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -60.46 -44.22 96.08 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 110.559 -0.163 . . . . 10.0 110.559 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 81.4 mtt180 -57.09 -50.4 72.89 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 123.389 0.431 . . . . 10.0 110.11 179.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -64.59 -46.52 82.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.962 -0.563 . . . . 10.0 111.475 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 290' ' ' LYS . . . . . 0.415 ' O ' ' HG ' ' A' ' 294' ' ' LEU . 73.5 mttt -63.09 -43.97 97.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.421 -0.354 . . . . 10.0 110.99 -179.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 291' ' ' LEU . . . . . 0.618 HD23 HD12 ' A' ' 294' ' ' LEU . 87.8 mt -67.98 -33.67 75.07 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.441 -0.345 . . . . 10.0 110.834 179.38 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -68.17 -41.62 81.21 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.024 -0.732 . . . . 10.0 109.024 178.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.02 -31.83 73.16 Favored 'General case' 0 N--CA 1.457 -0.08 0 N-CA-C 109.152 -0.685 . . . . 10.0 109.152 178.563 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 294' ' ' LEU . . . . . 0.618 HD12 HD23 ' A' ' 291' ' ' LEU . 73.4 mt -70.0 -41.44 74.36 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.016 -0.735 . . . . 10.0 109.016 177.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -63.12 -31.36 72.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.801 -0.636 . . . . 10.0 109.695 178.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 48.2 mm-40 -65.3 -11.1 38.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.548 -0.751 . . . . 10.0 110.663 178.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . 0.457 ' O ' ' HB2' ' A' ' 301' ' ' LEU . 5.6 mmtp -117.69 -39.46 3.13 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.321 -0.399 . . . . 10.0 110.297 179.587 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 81.5 mt -61.42 -30.9 70.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.26 -0.427 . . . . 10.0 111.833 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 299' ' ' SER . . . . . 0.513 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 19.7 m -79.87 -63.56 0.36 Allowed Pre-proline 0 CA--C 1.542 0.643 0 N-CA-C 113.017 0.747 . . . . 10.0 113.017 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 300' ' ' PRO . . . . . 0.513 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 43.4 Cg_endo -68.32 -53.8 0.35 Allowed 'Trans proline' 0 C--N 1.355 0.874 0 C-N-CA 121.914 1.743 . . . . 10.0 112.563 -179.357 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 301' ' ' LEU . . . . . 0.457 ' HB2' ' O ' ' A' ' 297' ' ' LYS . 79.6 mt -65.93 -30.52 71.11 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.788 0.327 . . . . 10.0 110.162 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 302' ' ' GLY . . . . . 0.43 ' O ' ' HG3' ' A' ' 306' ' ' ARG . . . -66.01 -44.0 92.39 Favored Glycine 0 N--CA 1.445 -0.731 0 N-CA-C 110.243 -1.143 . . . . 10.0 110.243 178.427 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -68.08 -41.74 81.45 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.434 -0.58 . . . . 10.0 109.434 178.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -60.93 -39.17 88.42 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.761 -0.654 . . . . 10.0 109.748 178.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 305' ' ' MET . . . . . 0.572 ' SD ' ' HE3' ' D' ' 473' ' ' LYS . 13.5 tpt -62.62 -34.81 77.78 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.758 -0.655 . . . . 10.0 109.964 179.12 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 306' ' ' ARG . . . . . 0.49 ' O ' ' HG3' ' A' ' 310' ' ' ARG . 91.3 mtt180 -69.83 -43.43 71.99 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 121.146 0.498 . . . . 10.0 109.689 179.217 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -60.95 -47.28 87.16 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.785 -0.643 . . . . 10.0 109.547 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 308' ' ' ARG . . . . . 0.5 ' HG3' HD21 ' D' ' 469' ' ' LEU . 10.2 mmt180 -69.92 -26.72 64.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.787 178.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -69.19 -39.22 78.79 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 108.769 -0.826 . . . . 10.0 108.769 178.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 310' ' ' ARG . . . . . 0.49 ' HG3' ' O ' ' A' ' 306' ' ' ARG . 80.4 mtt180 -59.24 -46.36 88.71 Favored 'General case' 0 CA--C 1.516 -0.327 0 N-CA-C 108.641 -0.874 . . . . 10.0 108.641 177.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -66.39 -41.03 89.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.622 -0.717 . . . . 10.0 110.108 179.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 312' ' ' HIS . . . . . 0.56 ' HE1' ' HB2' ' D' ' 465' ' ' GLU . 0.1 OUTLIER -56.68 -51.95 66.81 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.016 178.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 58.6 t -73.35 -35.1 45.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.581 -0.736 . . . . 10.0 111.78 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -61.63 -46.76 88.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.665 0.269 . . . . 10.0 110.559 179.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -62.31 -35.95 80.63 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.172 -0.677 . . . . 10.0 109.172 178.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 29.4 mt -67.83 -45.72 73.87 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.456 178.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 9.1 mtm105 -59.88 -51.86 67.92 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.982 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 1.9 m -63.37 -23.15 67.28 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.076 -0.511 . . . . 10.0 111.754 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 319' ' ' HIS . . . . . 0.489 ' CE1' ' HB2' ' D' ' 458' ' ' ASP . 2.6 m80 -91.4 -44.63 9.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.745 0.307 . . . . 10.0 111.665 179.471 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 320' ' ' LEU . . . . . 0.485 ' HA ' ' HB2' ' A' ' 323' ' ' TYR . 93.7 mt -71.87 -25.68 62.05 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.432 0.531 . . . . 10.0 112.432 -179.19 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -58.06 -58.21 20.34 Favored Pre-proline 0 CA--C 1.538 0.488 0 N-CA-C 111.442 0.164 . . . . 10.0 111.442 179.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -68.2 -27.43 35.1 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 121.616 1.544 . . . . 10.0 110.545 178.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 323' ' ' TYR . . . . . 0.485 ' HB2' ' HA ' ' A' ' 320' ' ' LEU . 11.6 m-30 -65.73 -43.96 87.48 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.402 179.045 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 324' ' ' SER . . . . . 0.476 ' HA ' ' HB2' ' A' ' 327' ' ' LEU . 3.0 p -70.83 -31.44 68.17 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 109.257 -0.646 . . . . 10.0 109.257 178.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -62.16 -44.65 96.15 Favored 'General case' 0 N--CA 1.462 0.167 0 N-CA-C 108.633 -0.877 . . . . 10.0 108.633 177.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -70.0 -35.22 74.21 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-N 115.525 -0.761 . . . . 10.0 109.205 178.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . 0.476 ' HB2' ' HA ' ' A' ' 324' ' ' SER . 13.7 mt -61.54 -39.07 89.76 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.223 178.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 328' ' ' ARG . . . . . 0.476 ' HG3' ' O ' ' A' ' 324' ' ' SER . 70.6 mtt180 -59.99 -43.68 95.01 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.267 -0.642 . . . . 10.0 109.267 178.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -69.26 -40.92 77.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.564 -0.743 . . . . 10.0 110.23 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 330' ' ' ARG . . . . . 0.707 HH21 ' HB3' ' D' ' 447' ' ' GLU . 27.6 mtt-85 -62.03 -47.74 83.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.404 179.225 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 40.6 mt -60.67 -41.89 95.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.934 -0.575 . . . . 10.0 110.099 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -63.22 -50.48 70.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.152 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -57.95 -46.75 84.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.888 179.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 73.8 mtt-85 -62.91 -47.61 82.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.422 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 50.0 mt -61.0 -41.21 96.09 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-N 116.182 -0.463 . . . . 10.0 111.333 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -65.76 -42.85 90.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.761 0.315 . . . . 10.0 110.489 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -63.32 -45.62 90.46 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.527 -0.545 . . . . 10.0 109.527 179.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 96.6 mt -71.22 -10.29 59.51 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.532 -0.758 . . . . 10.0 111.448 179.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -92.32 -47.02 7.41 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.511 -0.551 . . . . 10.0 109.511 178.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -69.63 -46.21 66.73 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.963 -0.562 . . . . 10.0 109.925 179.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -74.95 -33.68 61.97 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.778 -0.823 . . . . 10.0 108.778 178.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -64.91 -39.02 96.22 Favored Glycine 0 N--CA 1.45 -0.426 0 CA-C-N 115.461 -0.79 . . . . 10.0 111.781 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -63.14 -40.71 99.48 Favored Glycine 0 N--CA 1.45 -0.385 0 N-CA-C 110.894 -0.882 . . . . 10.0 110.894 178.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -65.9 -42.79 89.76 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.264 -0.643 . . . . 10.0 109.264 178.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 345' ' ' ARG . . . . . 0.41 ' HG2' ' OD1' ' D' ' 429' ' ' ASN . 44.8 mtm180 -62.85 -41.53 99.39 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.228 178.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 24.7 mt -66.35 -46.94 75.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.449 -0.341 . . . . 10.0 110.698 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.49 -42.55 96.53 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.085 0.469 . . . . 10.0 110.184 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -67.1 -45.04 78.43 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.98 -0.555 . . . . 10.0 110.899 179.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -61.85 -37.01 82.9 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-O 120.964 0.411 . . . . 10.0 110.171 179.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.41 -44.01 88.76 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.63 -0.714 . . . . 10.0 109.461 178.424 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -63.71 -44.32 93.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.001 178.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 14.2 mttm -61.83 -39.83 93.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.802 -0.636 . . . . 10.0 109.682 178.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . 0.428 ' O ' ' HG ' ' A' ' 357' ' ' LEU . . . -66.82 -35.0 79.06 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.194 179.042 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 40.4 m -66.35 -43.38 86.22 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.451 -0.574 . . . . 10.0 109.451 178.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -66.87 -32.6 73.98 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 109.211 -0.663 . . . . 10.0 109.211 178.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -67.0 -28.78 68.53 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.594 -0.73 . . . . 10.0 109.527 178.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 357' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 353' ' ' ALA . 48.0 mt -72.97 -34.51 66.52 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.43 178.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.82 -44.77 88.77 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.546 -0.539 . . . . 10.0 109.546 179.052 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.39 -32.24 66.22 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 116.003 -0.544 . . . . 10.0 109.729 179.014 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 41.0 tp -65.31 -35.84 82.24 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 108.899 -0.778 . . . . 10.0 108.899 178.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 361' ' ' SER . . . . . 0.426 ' HB3' ' HE3' ' A' ' 365' ' ' LYS . 71.1 m -64.42 -29.67 70.73 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.655 -0.702 . . . . 10.0 110.035 179.069 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 362' ' ' GLU . . . . . 0.442 ' C ' ' HD2' ' A' ' 366' ' ' PRO . 49.9 mm-40 -71.48 -17.39 62.36 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.153 0.501 . . . . 10.0 109.847 178.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 363' ' ' LYS . . . . . 0.747 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 80.9 mttt -97.7 -37.31 9.94 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.635 -0.711 . . . . 10.0 109.452 178.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -77.02 -31.32 56.25 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.921 0.712 . . . . 10.0 112.921 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 365' ' ' LYS . . . . . 0.986 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 69.5 mttt -100.35 -71.67 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 N-CA-C 112.421 0.526 . . . . 10.0 112.421 -179.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 366' ' ' PRO . . . . . 0.986 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 24.4 Cg_exo -64.76 -56.7 0.37 Allowed 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 121.836 1.691 . . . . 10.0 113.128 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 367' ' ' ALA . . . . . 0.747 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -57.56 -47.67 81.42 Favored 'General case' 0 C--O 1.225 -0.195 0 N-CA-C 112.684 0.624 . . . . 10.0 112.684 -179.131 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 368' ' ' LEU . . . . . 0.463 HD23 ' HA ' ' A' ' 368' ' ' LEU . 10.5 mt -62.09 -43.52 98.67 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.943 -0.303 . . . . 10.0 110.833 179.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -62.23 -44.61 96.18 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.975 -0.75 . . . . 10.0 108.975 178.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -59.78 -43.33 94.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.459 -0.791 . . . . 10.0 109.806 179.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 75.4 mt -63.3 -47.58 81.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.519 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 372' ' ' ARG . . . . . 0.426 ' O ' ' HG ' ' A' ' 376' ' ' LEU . 93.3 mtt180 -60.91 -44.43 97.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.291 179.508 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -63.17 -30.21 71.41 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.84 -0.618 . . . . 10.0 111.3 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -83.65 -34.69 18.54 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.766 -0.73 . . . . 10.0 111.598 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 83.9 mt -74.25 -32.31 62.91 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.376 0.509 . . . . 10.0 112.376 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 376' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 372' ' ' ARG . 68.8 mt -51.27 -59.43 7.77 Favored Pre-proline 0 CA--C 1.535 0.38 0 N-CA-C 112.269 0.47 . . . . 10.0 112.269 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -61.45 -29.84 85.84 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.197 1.932 . . . . 10.0 111.455 178.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 38.1 t -64.69 -43.51 96.59 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.12 0 N-CA-C 108.697 -0.853 . . . . 10.0 108.697 178.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 55.1 mt -63.9 -37.72 88.44 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.422 -0.585 . . . . 10.0 109.422 178.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 380' ' ' GLU . . . . . 0.477 ' O ' HG23 ' A' ' 384' ' ' VAL . 24.8 mm-40 -59.17 -52.49 65.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.692 -0.686 . . . . 10.0 110.32 179.07 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 4.0 p -67.36 -39.93 85.74 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.404 -0.362 . . . . 10.0 110.688 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.34 -44.76 88.84 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.425 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -60.19 -41.18 92.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.407 -0.361 . . . . 10.0 110.758 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 384' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 380' ' ' GLU . 55.0 t -62.02 -47.23 94.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 109.934 -0.395 . . . . 10.0 109.934 179.187 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 12.3 m -62.99 -49.23 75.52 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.706 -0.679 . . . . 10.0 110.828 179.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -61.82 -43.25 99.22 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.114 -0.493 . . . . 10.0 111.8 -179.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 47.0 mt -61.02 -50.66 72.44 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.689 -0.232 . . . . 10.0 111.605 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 9.0 p -65.87 -34.81 79.0 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.472 -0.331 . . . . 10.0 110.936 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -64.03 -43.07 96.71 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.517 -0.31 . . . . 10.0 110.626 178.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 68.5 mt -59.05 -44.05 91.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.962 -0.563 . . . . 10.0 109.675 178.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -66.17 -38.31 87.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.628 -0.714 . . . . 10.0 110.285 179.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 392' ' ' GLU . . . . . 0.66 ' HB3' ' HE1' ' D' ' 591' ' ' TYR . 42.0 mm-40 -59.69 -42.67 93.49 Favored 'General case' 0 CA--C 1.521 -0.172 0 CA-C-N 116.181 -0.463 . . . . 10.0 111.678 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -64.51 -48.88 73.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.964 -0.562 . . . . 10.0 111.079 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -68.24 -24.55 64.92 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.114 0.483 . . . . 10.0 110.987 179.36 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -71.04 -28.96 64.76 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 115.84 -0.618 . . . . 10.0 111.539 -179.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 396' ' ' LYS . . . . . 0.447 ' HG2' ' HB2' ' D' ' 587' ' ' ALA . 2.0 mptt -111.9 -20.02 12.17 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 113.142 0.793 . . . . 10.0 113.142 -179.166 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 95.4 mt -100.53 8.89 43.21 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 120.74 0.305 . . . . 10.0 111.323 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 63.7 t30 . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.315 -0.402 . . . . 10.0 110.432 179.573 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 2.4 mm? . . . . . 0 CA--C 1.52 -0.179 0 CA-C-O 121.323 0.582 . . . . 10.0 110.051 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -99.65 19.56 15.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.406 -0.816 . . . . 10.0 110.14 179.587 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 71.2 mt -63.72 -30.76 71.82 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.619 -0.719 . . . . 10.0 110.803 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 18.1 mt -64.68 -41.93 95.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.339 0.59 . . . . 10.0 110.199 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -74.46 -35.0 63.29 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.018 -0.537 . . . . 10.0 109.934 178.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -64.54 -38.86 92.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.176 179.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 1.1 m95 -70.23 -29.45 66.27 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.522 -0.763 . . . . 10.0 110.642 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -61.28 -44.7 96.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.136 -0.483 . . . . 10.0 110.144 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.46 -39.12 93.61 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.275 179.466 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 44.5 t -69.9 -41.01 79.48 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.096 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 37.0 m -63.88 -36.01 82.54 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.321 0.582 . . . . 10.0 109.876 178.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 67.2 m -66.04 -41.84 90.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.762 -0.653 . . . . 10.0 110.652 178.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 411' ' ' THR . . . . . 0.571 ' O ' ' HG ' ' D' ' 415' ' ' LEU . 0.1 OUTLIER -68.56 -34.77 76.4 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 110.085 -0.339 . . . . 10.0 110.085 179.41 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -63.79 -40.57 96.97 Favored 'General case' 0 N--CA 1.46 0.069 0 N-CA-C 109.088 -0.708 . . . . 10.0 109.088 177.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 19.5 m -67.14 -38.98 86.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.219 -0.901 . . . . 10.0 109.083 178.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 414' ' ' LYS . . . . . 0.453 ' HD3' ' HA ' ' D' ' 414' ' ' LYS . 41.0 mmtt -65.08 -28.29 69.36 Favored 'General case' 0 CA--C 1.522 -0.131 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.361 178.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 415' ' ' LEU . . . . . 0.571 ' HG ' ' O ' ' D' ' 411' ' ' THR . 82.1 mt -67.83 -37.55 82.07 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.115 -0.698 . . . . 10.0 109.115 178.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 416' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' D' ' 416' ' ' ARG . 60.2 mtt180 -69.84 -36.37 75.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.704 -0.68 . . . . 10.0 109.733 179.209 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -61.68 -28.04 69.11 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-N 115.666 -0.697 . . . . 10.0 109.883 178.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -84.51 -51.45 6.89 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.428 -0.806 . . . . 10.0 108.853 177.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 33.8 mt -44.8 -47.81 10.94 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.241 -0.89 . . . . 10.0 112.768 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -51.62 -75.55 0.21 Allowed Glycine 0 CA--C 1.523 0.557 0 C-N-CA 121.186 -0.531 . . . . 10.0 112.934 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 421' ' ' PRO . . . . . 0.581 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 48.3 Cg_exo -57.39 -41.83 68.38 Favored 'Trans proline' 0 C--O 1.234 0.294 0 C-N-CA 122.872 2.381 . . . . 10.0 112.52 179.584 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 422' ' ' VAL . . . . . 0.469 ' O ' ' HB2' ' D' ' 426' ' ' PHE . 37.5 t -58.32 -49.9 80.37 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.198 0 N-CA-C 112.221 0.452 . . . . 10.0 112.221 -179.414 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 46.7 p -66.59 -33.99 76.9 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.773 -0.371 . . . . 10.0 110.739 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -61.28 -52.29 65.33 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.98 -0.378 . . . . 10.0 109.98 179.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 425' ' ' GLU . . . . . 0.581 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 11.4 pt-20 -73.43 -25.53 60.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.772 179.158 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 426' ' ' PHE . . . . . 0.469 ' HB2' ' O ' ' D' ' 422' ' ' VAL . 17.1 t80 -70.21 -38.72 75.34 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 108.981 -0.748 . . . . 10.0 108.981 178.652 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 427' ' ' TRP . . . . . 0.455 ' O ' ' HG3' ' D' ' 431' ' ' GLU . 2.4 m95 -64.78 -44.02 91.35 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 108.7 -0.852 . . . . 10.0 108.7 178.316 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 428' ' ' ASP . . . . . 0.5 ' O ' ' HG3' ' D' ' 432' ' ' LYS . 21.2 t70 -63.38 -37.34 86.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.274 -0.875 . . . . 10.0 109.288 178.481 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 429' ' ' ASN . . . . . 0.41 ' OD1' ' HG2' ' A' ' 345' ' ' ARG . 4.7 t30 -66.35 -44.44 83.23 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.111 -0.7 . . . . 10.0 109.111 177.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 85.0 mt -61.08 -36.42 79.6 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 115.763 -0.653 . . . . 10.0 110.188 179.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 431' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' D' ' 427' ' ' TRP . 25.2 mt-10 -63.16 -39.34 94.37 Favored 'General case' 0 CA--C 1.522 -0.124 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.069 178.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 432' ' ' LYS . . . . . 0.5 ' HG3' ' O ' ' D' ' 428' ' ' ASP . 50.4 mttp -66.64 -43.31 84.99 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 109.201 -0.666 . . . . 10.0 109.201 178.688 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -61.77 -52.01 65.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.689 -0.687 . . . . 10.0 111.176 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 2.6 p -59.68 -47.54 85.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.384 -0.371 . . . . 10.0 111.322 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 435' ' ' GLU . . . . . 0.428 ' O ' ' HG3' ' D' ' 439' ' ' GLN . 9.5 mm-40 -62.85 -41.19 99.26 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 116.491 -0.322 . . . . 10.0 110.253 179.046 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -63.99 -43.25 97.67 Favored Glycine 0 N--CA 1.449 -0.486 0 N-CA-C 110.848 -0.901 . . . . 10.0 110.848 178.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 85.9 mt -64.89 -34.93 79.57 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.426 -0.583 . . . . 10.0 109.426 178.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 438' ' ' ARG . . . . . 0.412 ' HD2' ' OE1' ' D' ' 435' ' ' GLU . 56.5 mtt180 -66.97 -36.15 81.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.748 -0.66 . . . . 10.0 109.632 178.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 439' ' ' GLN . . . . . 0.428 ' HG3' ' O ' ' D' ' 435' ' ' GLU . 95.4 mt-30 -60.03 -41.21 91.75 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 109.101 -0.703 . . . . 10.0 109.101 178.382 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -70.91 -49.45 45.65 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.647 -0.706 . . . . 10.0 109.339 178.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 8.1 mmt -57.27 -37.81 72.95 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 112.794 0.664 . . . . 10.0 112.794 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 442' ' ' SER . . . . . 0.437 ' O ' ' HG2' ' D' ' 446' ' ' GLU . 44.7 m -58.5 -40.38 82.66 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.247 0.546 . . . . 10.0 110.316 179.339 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp -85.93 -42.91 13.65 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.437 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 444' ' ' ASP . . . . . 0.638 ' O ' ' HB ' ' D' ' 448' ' ' VAL . 26.2 t70 -60.05 -56.05 26.44 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.878 -0.601 . . . . 10.0 112.564 -179.136 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 445' ' ' LEU . . . . . 0.531 ' O ' HG12 ' D' ' 448' ' ' VAL . 96.1 mt -65.2 -44.8 87.21 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 113.061 0.764 . . . . 10.0 113.061 -178.305 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 446' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' D' ' 442' ' ' SER . 5.3 mm-40 -67.63 -45.7 74.61 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.784 -0.366 . . . . 10.0 111.258 -179.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 447' ' ' GLU . . . . . 0.707 ' HB3' HH21 ' A' ' 330' ' ' ARG . 33.3 tt0 -70.4 -29.31 65.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.557 -0.292 . . . . 10.0 110.706 179.565 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 448' ' ' VAL . . . . . 0.638 ' HB ' ' O ' ' D' ' 444' ' ' ASP . 0.3 OUTLIER -66.63 -27.41 40.03 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.355 0 N-CA-C 109.844 -0.428 . . . . 10.0 109.844 178.811 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -71.68 -29.37 64.52 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 108.789 -0.819 . . . . 10.0 108.789 178.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -96.72 15.71 21.12 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.211 -0.904 . . . . 10.0 109.655 179.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 451' ' ' LYS . . . . . 0.424 ' HB2' ' HA ' ' D' ' 448' ' ' VAL . 45.0 mttm -125.71 -49.09 1.64 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.354 -0.839 . . . . 10.0 109.776 178.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 452' ' ' VAL . . . . . 0.451 HG23 HG22 ' D' ' 448' ' ' VAL . 39.2 t -62.01 -43.75 98.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.586 179.39 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -60.74 -57.44 26.49 Favored Pre-proline 0 CA--C 1.533 0.309 0 N-CA-C 112.743 0.646 . . . . 10.0 112.743 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_endo -61.15 -35.86 83.9 Favored 'Trans proline' 0 C--N 1.352 0.753 0 C-N-CA 121.675 1.584 . . . . 10.0 111.456 178.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 455' ' ' TYR . . . . . 0.412 ' CD1' ' HE2' ' A' ' 323' ' ' TYR . 4.9 t80 -68.54 -34.25 75.52 Favored 'General case' 0 C--O 1.232 0.158 0 N-CA-C 109.64 -0.504 . . . . 10.0 109.64 178.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 456' ' ' LEU . . . . . 0.434 ' HA ' HD23 ' D' ' 456' ' ' LEU . 13.6 mt -69.65 -36.8 76.39 Favored 'General case' 0 C--O 1.219 -0.552 0 N-CA-C 108.851 -0.796 . . . . 10.0 108.851 178.155 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -65.04 -43.36 92.59 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 108.861 -0.792 . . . . 10.0 108.861 178.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 458' ' ' ASP . . . . . 0.489 ' HB2' ' CE1' ' A' ' 319' ' ' HIS . 16.3 t70 -60.97 -42.52 98.49 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 115.221 -0.9 . . . . 10.0 109.164 178.328 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -68.98 -41.41 77.91 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.046 -0.979 . . . . 10.0 110.598 178.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -58.96 -43.98 91.4 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 109.923 -0.399 . . . . 10.0 109.923 179.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 461' ' ' LYS . . . . . 0.508 ' O ' ' HG3' ' D' ' 465' ' ' GLU . 74.4 mttt -61.8 -43.65 98.43 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.427 -0.583 . . . . 10.0 109.427 178.629 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 2.8 mtmm -66.77 -39.56 87.88 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.169 179.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 21.0 m0 -63.83 -39.26 93.81 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.569 -0.53 . . . . 10.0 109.569 178.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -65.34 -46.27 80.9 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 109.273 -0.64 . . . . 10.0 109.273 178.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 465' ' ' GLU . . . . . 0.56 ' HB2' ' HE1' ' A' ' 312' ' ' HIS . 42.5 mt-10 -57.43 -48.35 79.37 Favored 'General case' 0 C--O 1.223 -0.334 0 N-CA-C 108.805 -0.813 . . . . 10.0 108.805 178.404 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 466' ' ' GLU . . . . . 0.402 ' HG3' ' CZ ' ' D' ' 470' ' ' TYR . 6.7 tp10 -60.36 -52.35 65.61 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.736 -0.665 . . . . 10.0 111.07 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 72.6 mtm -60.2 -38.65 83.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 10.0 111.695 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 468' ' ' GLU . . . . . 0.433 ' HA ' ' HD2' ' D' ' 471' ' ' ARG . 40.1 mt-10 -74.89 -36.82 62.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.451 -0.34 . . . . 10.0 110.61 179.427 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 469' ' ' LEU . . . . . 0.567 HD22 ' HE2' ' D' ' 473' ' ' LYS . 34.4 mt -61.3 -42.26 98.36 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.104 -0.702 . . . . 10.0 109.104 178.531 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 470' ' ' TYR . . . . . 0.402 ' CZ ' ' HG3' ' D' ' 466' ' ' GLU . 22.9 m-30 -64.73 -23.85 67.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.955 -0.566 . . . . 10.0 111.049 179.532 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 471' ' ' ARG . . . . . 0.967 ' HA ' ' HG3' ' D' ' 475' ' ' GLU . 48.8 mtt85 -77.28 -25.15 51.08 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.291 0.567 . . . . 10.0 109.6 178.579 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -106.7 7.26 30.39 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.885 -0.598 . . . . 10.0 110.822 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 473' ' ' LYS . . . . . 0.572 ' HE3' ' SD ' ' A' ' 305' ' ' MET . 65.0 mttm -127.72 -72.48 0.63 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.057 -0.519 . . . . 10.0 110.311 179.673 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 11.3 t -62.88 -44.87 99.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.833 -0.621 . . . . 10.0 112.441 -178.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 475' ' ' GLU . . . . . 0.967 ' HG3' ' HA ' ' D' ' 471' ' ' ARG . 3.6 mt-10 -56.91 -55.2 46.27 Favored Pre-proline 0 N--CA 1.47 0.528 0 N-CA-C 112.551 0.574 . . . . 10.0 112.551 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -66.34 -36.44 27.59 Favored 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 121.481 1.454 . . . . 10.0 111.225 177.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 477' ' ' LEU . . . . . 0.437 ' HB2' ' O ' ' D' ' 473' ' ' LYS . 8.8 mt -66.11 -23.95 66.59 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 116.292 -0.413 . . . . 10.0 110.654 179.412 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 478' ' ' ARG . . . . . 0.418 ' HB2' ' O ' ' D' ' 475' ' ' GLU . 14.5 mtt-85 -62.41 -32.96 73.87 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.14 -0.689 . . . . 10.0 109.14 178.365 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -72.71 -38.11 67.59 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 108.717 -0.846 . . . . 10.0 108.717 178.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.79 -43.65 88.13 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.128 -0.693 . . . . 10.0 109.128 178.071 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 72.8 mt -64.48 -38.81 92.32 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 115.362 -0.835 . . . . 10.0 109.54 178.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -70.84 -41.34 71.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.574 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -64.72 -43.96 91.75 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.485 -0.561 . . . . 10.0 109.485 178.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -65.31 -33.95 88.1 Favored Glycine 0 N--CA 1.451 -0.343 0 N-CA-C 110.409 -1.077 . . . . 10.0 110.409 178.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -70.6 -42.7 70.62 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.621 -0.511 . . . . 10.0 109.621 178.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -60.54 -41.65 94.91 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 108.553 -0.906 . . . . 10.0 108.553 178.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.47 -47.84 74.73 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.338 -0.846 . . . . 10.0 109.309 178.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -59.97 -43.18 95.24 Favored 'General case' 0 C--O 1.226 -0.16 0 CA-C-N 116.361 -0.381 . . . . 10.0 110.493 179.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 61.3 mt -63.12 -39.17 93.89 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.312 -0.625 . . . . 10.0 109.312 178.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 32.0 t60 -64.22 -46.42 83.95 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 108.787 -0.82 . . . . 10.0 108.787 178.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -61.43 -41.74 97.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.34 -0.845 . . . . 10.0 109.739 178.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 30.8 mt -66.37 -48.18 70.98 Favored 'General case' 0 C--O 1.216 -0.699 0 CA-C-N 115.434 -0.803 . . . . 10.0 111.1 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -59.6 -35.72 74.87 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.915 0.388 . . . . 10.0 110.975 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -72.4 3.76 4.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.733 -0.667 . . . . 10.0 110.988 179.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 495' ' ' LYS . . . . . 0.861 ' HE3' HD22 ' A' ' 279' ' ' LEU . 49.8 mttp -126.87 -45.59 1.59 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.857 -0.611 . . . . 10.0 109.734 178.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 98.9 mt -56.13 -35.14 66.77 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 116.171 -0.468 . . . . 10.0 112.176 -179.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 497' ' ' SER . . . . . 0.417 ' HB2' ' CD ' ' D' ' 498' ' ' PRO . 3.2 m -79.22 -62.84 0.42 Allowed Pre-proline 0 C--N 1.324 -0.519 0 CA-C-O 119.371 -0.347 . . . . 10.0 111.915 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 498' ' ' PRO . . . . . 0.417 ' CD ' ' HB2' ' D' ' 497' ' ' SER . 20.7 Cg_endo -60.43 -49.53 8.86 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 122.245 1.964 . . . . 10.0 112.556 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 499' ' ' LEU . . . . . 0.826 HD21 ' HG2' ' A' ' 275' ' ' LYS . 96.8 mt -71.84 -26.14 62.25 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-O 120.743 0.306 . . . . 10.0 110.213 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -65.04 -51.29 52.26 Favored Glycine 0 N--CA 1.446 -0.684 0 N-CA-C 110.017 -1.233 . . . . 10.0 110.017 178.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -66.13 -34.13 77.35 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 109.464 -0.569 . . . . 10.0 109.464 178.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 502' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -64.6 -49.33 71.55 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.721 -0.672 . . . . 10.0 109.581 178.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 52.9 mmm -62.22 -39.01 91.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.008 -0.542 . . . . 10.0 109.828 179.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 504' ' ' ARG . . . . . 0.504 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 67.8 mtt180 -66.94 -39.65 87.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.685 179.307 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 505' ' ' ASP . . . . . 0.532 ' HA ' ' HD2' ' D' ' 508' ' ' ARG . 28.1 t70 -68.91 -41.01 78.8 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 110.035 -0.357 . . . . 10.0 110.035 178.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 506' ' ' ARG . . . . . 0.573 ' HD3' ' HG2' ' A' ' 268' ' ' GLU . 12.3 mtm180 -64.82 -34.37 78.2 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.03 -0.73 . . . . 10.0 109.03 178.197 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -66.38 -38.97 88.75 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 108.707 -0.849 . . . . 10.0 108.707 177.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 508' ' ' ARG . . . . . 0.532 ' HD2' ' HA ' ' D' ' 505' ' ' ASP . 75.7 mtt180 -60.26 -45.4 93.39 Favored 'General case' 0 C--O 1.224 -0.281 0 N-CA-C 108.536 -0.913 . . . . 10.0 108.536 178.105 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -60.25 -33.64 72.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.46 -0.791 . . . . 10.0 111.066 179.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 510' ' ' HIS . . . . . 0.41 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 4.5 m-70 -77.49 -48.35 17.3 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.051 0.453 . . . . 10.0 110.71 179.439 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 511' ' ' VAL . . . . . 0.462 ' O ' ' HG3' ' D' ' 515' ' ' ARG . 91.0 t -63.73 -45.26 97.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.68 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 512' ' ' ASP . . . . . 0.624 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 21.5 t70 -64.08 -32.97 74.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.002 0.43 . . . . 10.0 110.235 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -68.45 -45.13 73.34 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 108.519 -0.919 . . . . 10.0 108.519 177.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 514' ' ' LEU . . . . . 0.781 ' HA ' ' HB2' ' D' ' 517' ' ' HIS . 86.9 mt -60.55 -27.19 67.47 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.787 -0.642 . . . . 10.0 110.952 179.324 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 515' ' ' ARG . . . . . 0.624 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 84.4 mtt180 -65.3 -28.81 69.58 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.404 0.621 . . . . 10.0 109.546 178.515 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.6 12.97 24.08 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.668 -0.696 . . . . 10.0 109.578 179.095 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 517' ' ' HIS . . . . . 0.781 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 16.3 m170 -119.58 -67.02 1.01 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.697 -0.683 . . . . 10.0 111.042 -179.577 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 67.3 mt -73.85 -45.43 51.16 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.789 -0.642 . . . . 10.0 112.144 -178.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 519' ' ' ALA . . . . . 0.65 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -54.12 -56.07 29.93 Favored Pre-proline 0 CA--C 1.537 0.476 0 N-CA-C 112.6 0.592 . . . . 10.0 112.6 -179.504 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 520' ' ' PRO . . . . . 0.65 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 36.1 Cg_exo -64.84 -37.95 32.44 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.032 1.821 . . . . 10.0 111.581 178.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -64.77 -40.2 94.87 Favored 'General case' 0 C--O 1.225 -0.209 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.982 -179.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 1.8 p -65.74 -31.67 72.8 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.535 -0.466 . . . . 10.0 109.766 179.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.08 -43.3 74.83 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.078 -0.712 . . . . 10.0 109.078 178.483 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -67.64 -36.05 80.04 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 109.084 -0.71 . . . . 10.0 109.084 178.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 525' ' ' LEU . . . . . 0.42 ' HA ' HD23 ' D' ' 525' ' ' LEU . 8.0 mt -61.62 -41.43 97.46 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-N 115.537 -0.756 . . . . 10.0 109.348 178.047 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 526' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' D' ' 526' ' ' ARG . 56.3 mtt180 -61.91 -37.44 84.63 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 115.926 -0.579 . . . . 10.0 109.99 178.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -62.28 -35.57 79.41 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.191 0.52 . . . . 10.0 109.687 178.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 528' ' ' ARG . . . . . 0.606 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 79.9 mtt180 -78.33 -43.27 28.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.642 -0.708 . . . . 10.0 109.265 178.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 75.0 mt -60.81 -38.5 85.6 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.491 -0.777 . . . . 10.0 111.089 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -61.3 -36.23 79.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.976 0.417 . . . . 10.0 110.232 178.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -74.81 -42.68 57.61 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.603 -0.726 . . . . 10.0 109.203 178.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -61.04 -45.57 94.23 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-N 115.709 -0.678 . . . . 10.0 109.174 178.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 84.9 mt -65.3 -36.06 82.93 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 115.812 -0.631 . . . . 10.0 110.213 178.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 534' ' ' GLU . . . . . 0.524 ' HA ' ' HE3' ' D' ' 537' ' ' LYS . 22.7 tt0 -64.85 -40.77 95.69 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 108.926 -0.768 . . . . 10.0 108.926 178.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 535' ' ' ALA . . . . . 0.472 ' O ' ' HB2' ' D' ' 539' ' ' ASN . . . -63.84 -38.36 90.79 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.776 -0.824 . . . . 10.0 108.776 177.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 81.0 mt -71.21 -21.72 62.1 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.501 -0.772 . . . . 10.0 110.869 179.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 537' ' ' LYS . . . . . 0.524 ' HE3' ' HA ' ' D' ' 534' ' ' GLU . 45.0 mtmt -82.01 -45.76 14.88 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.937 -0.764 . . . . 10.0 108.937 178.089 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -64.16 -45.66 87.44 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.591 -0.731 . . . . 10.0 109.096 178.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 539' ' ' ASN . . . . . 0.472 ' HB2' ' O ' ' D' ' 535' ' ' ALA . 1.9 m-20 -71.83 -33.22 68.31 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-N 115.345 -0.843 . . . . 10.0 109.291 178.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -64.19 -51.52 52.11 Favored Glycine 0 N--CA 1.446 -0.679 0 N-CA-C 111.045 -0.822 . . . . 10.0 111.045 179.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -59.29 -41.6 96.92 Favored Glycine 0 N--CA 1.452 -0.292 0 N-CA-C 111.254 -0.738 . . . . 10.0 111.254 179.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -66.24 -52.0 52.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.548 0.213 . . . . 10.0 110.623 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 543' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' D' ' 543' ' ' ARG . 55.8 mtt180 -60.84 -33.17 72.64 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.432 -0.349 . . . . 10.0 111.332 179.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 20.9 mt -66.09 -44.04 85.55 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.197 -0.668 . . . . 10.0 109.197 177.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -63.27 -39.7 95.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.768 -0.651 . . . . 10.0 109.419 178.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 -65.85 -43.1 89.46 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 115.667 -0.697 . . . . 10.0 109.292 178.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -63.01 -36.35 83.25 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.821 -0.627 . . . . 10.0 110.447 179.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 26.3 m-70 -69.35 -43.34 73.84 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.573 -0.528 . . . . 10.0 109.573 178.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -63.6 -46.88 83.77 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.902 -0.59 . . . . 10.0 109.695 178.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 550' ' ' LYS . . . . . 0.452 ' HD3' HG22 ' A' ' 224' ' ' VAL . 0.0 OUTLIER -63.0 -35.74 81.23 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.462 -0.79 . . . . 10.0 109.818 179.063 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -59.68 -46.71 88.25 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 109.622 -0.51 . . . . 10.0 109.622 178.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.5 -45.99 77.74 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 116.253 -0.43 . . . . 10.0 110.399 178.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -58.63 -49.99 75.48 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 116.399 -0.364 . . . . 10.0 110.574 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 23.5 t60 -63.29 -38.33 90.73 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.868 -0.606 . . . . 10.0 109.798 179.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 25.6 tp -63.34 -43.92 96.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 10.0 111.002 179.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.15 -41.68 97.19 Favored 'General case' 0 C--N 1.333 -0.119 0 C-N-CA 121.107 -0.237 . . . . 10.0 110.97 179.316 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -72.44 -30.07 64.26 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 120.767 0.318 . . . . 10.0 110.313 179.263 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 558' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' D' ' 558' ' ' LEU . 19.4 mt -62.36 -48.41 79.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.453 . . . . 10.0 110.06 178.582 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.03 -35.1 74.07 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 109.335 -0.617 . . . . 10.0 109.335 178.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -64.11 -27.51 69.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.32 -0.855 . . . . 10.0 109.922 179.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.49 18.57 20.22 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.334 179.193 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -119.96 -46.44 2.43 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 115.862 -0.608 . . . . 10.0 110.693 179.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 563' ' ' LYS . . . . . 0.417 ' HB2' ' HD3' ' D' ' 564' ' ' PRO . 94.8 mttt -58.69 -62.99 4.62 Favored Pre-proline 0 C--N 1.331 -0.212 0 N-CA-C 111.853 0.316 . . . . 10.0 111.853 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 564' ' ' PRO . . . . . 0.417 ' HD3' ' HB2' ' D' ' 563' ' ' LYS . 44.6 Cg_endo -67.71 -29.46 35.85 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 121.52 1.48 . . . . 10.0 111.316 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -66.77 -56.0 12.47 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.357 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 75.1 mt -60.25 -39.7 87.69 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-O 120.755 0.312 . . . . 10.0 110.219 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -60.69 -55.62 31.08 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.145 -0.479 . . . . 10.0 110.458 178.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -62.18 -42.71 99.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.401 -0.363 . . . . 10.0 110.987 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 76.1 mt -58.7 -45.57 89.22 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.576 -0.283 . . . . 10.0 110.793 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 570' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' D' ' 570' ' ' ARG . 64.0 mtt180 -69.54 -39.25 77.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.422 -0.353 . . . . 10.0 110.29 179.449 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -63.47 -22.78 67.08 Favored 'General case' 0 CA--C 1.521 -0.152 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.023 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -95.94 -30.76 7.72 Favored Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 110.849 -0.9 . . . . 10.0 110.849 178.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 573' ' ' LEU . . . . . 0.466 ' O ' ' HG ' ' D' ' 577' ' ' LEU . 14.2 mt -67.68 -47.28 69.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.59 -0.305 . . . . 10.0 111.277 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 574' ' ' LEU . . . . . 0.457 ' O ' ' HG2' ' D' ' 578' ' ' GLU . 91.1 mt -50.31 -59.44 7.14 Favored Pre-proline 0 CA--C 1.537 0.463 0 N-CA-C 112.987 0.736 . . . . 10.0 112.987 -179.375 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -66.4 -37.01 24.88 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 121.794 1.663 . . . . 10.0 112.175 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 576' ' ' VAL . . . . . 0.432 HG12 ' HA ' ' D' ' 573' ' ' LEU . 0.4 OUTLIER -65.61 -36.43 77.59 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 CA-C-O 120.76 0.314 . . . . 10.0 110.743 -179.843 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 577' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' D' ' 573' ' ' LEU . 61.2 mt -65.16 -42.34 93.85 Favored 'General case' 0 CA--C 1.517 -0.295 0 N-CA-C 109.102 -0.703 . . . . 10.0 109.102 178.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 578' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' D' ' 574' ' ' LEU . 36.7 mm-40 -66.25 -38.44 87.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.736 -0.666 . . . . 10.0 109.731 179.14 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 20.1 m -66.09 -44.65 83.78 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.341 -0.615 . . . . 10.0 109.341 178.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -62.79 -32.72 73.94 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 115.898 -0.592 . . . . 10.0 109.682 178.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 581' ' ' LYS . . . . . 0.407 ' O ' ' HG ' ' D' ' 585' ' ' LEU . 82.1 mttt -61.13 -48.19 82.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.005 178.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 582' ' ' VAL . . . . . 0.405 HG23 ' O ' ' D' ' 578' ' ' GLU . 40.8 t -59.44 -45.35 93.7 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.354 179.587 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 4.7 m -65.88 -40.19 91.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.507 179.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.61 -48.75 71.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.043 179.491 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 585' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' D' ' 581' ' ' LYS . 97.4 mt -56.59 -52.24 65.57 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.624 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 12.2 p -64.16 -33.36 75.6 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 116.377 -0.374 . . . . 10.0 111.065 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 587' ' ' ALA . . . . . 0.447 ' HB2' ' HG2' ' A' ' 396' ' ' LYS . . . -66.52 -58.79 4.49 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.158 -0.312 . . . . 10.0 110.158 179.074 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 63.3 mt -58.79 -42.81 89.93 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.016 -0.538 . . . . 10.0 111.667 -178.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -63.06 -46.92 85.22 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.438 -0.347 . . . . 10.0 110.865 -179.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -69.25 -33.45 73.28 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.855 -0.338 . . . . 10.0 111.708 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 591' ' ' TYR . . . . . 0.66 ' HE1' ' HB3' ' A' ' 392' ' ' GLU . 16.0 m-30 -64.8 -38.12 89.91 Favored 'General case' 0 N--CA 1.462 0.173 0 N-CA-C 109.559 -0.534 . . . . 10.0 109.559 178.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 35.7 m -59.84 -36.05 76.02 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.369 179.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -66.09 -31.32 72.12 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.957 0.408 . . . . 10.0 110.969 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -82.39 -38.71 23.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.967 -0.56 . . . . 10.0 110.51 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 90.8 mt -74.26 -20.02 60.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.811 -0.631 . . . . 10.0 111.629 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 . . . . . 0 C--N 1.325 -0.499 0 CA-C-N 116.12 -0.491 . . . . 10.0 111.173 179.873 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.451 -0.383 0 CA-C-O 120.902 0.382 . . . . 10.0 110.735 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 6.9 m -98.8 141.11 32.01 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.077 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -95.33 140.92 29.52 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.48 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -129.05 114.33 16.26 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.057 -0.52 . . . . 10.0 109.861 179.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.457 ' HA ' ' HB3' ' B' ' 54' ' ' ASP . 40.7 mttm -81.96 112.72 19.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.047 -179.639 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.432 ' HA ' ' O ' ' B' ' 77' ' ' GLY . 24.6 mt -119.65 111.75 18.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.69 -179.099 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 22.3 t -95.79 130.86 43.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.849 -0.614 . . . . 10.0 110.495 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.526 HG13 HD23 ' B' ' 79' ' ' LEU . 9.9 t -93.04 111.09 24.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.014 -0.539 . . . . 10.0 109.629 179.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 19.7 m -111.69 158.32 12.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.191 -0.459 . . . . 10.0 111.503 -179.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . 0.482 ' O ' ' HA3' ' B' ' 60' ' ' GLY . . . 142.85 166.66 11.16 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 121.027 -0.606 . . . . 10.0 111.681 -179.702 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.29 170.31 3.05 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.997 0.427 . . . . 10.0 110.929 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.55 140.88 29.47 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.101 0.476 . . . . 10.0 111.493 -179.499 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.59 8.5 67.75 Favored Glycine 0 N--CA 1.452 -0.27 0 CA-C-N 115.773 -0.648 . . . . 10.0 113.675 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 32.7 m -87.62 -18.29 8.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 112.655 0.613 . . . . 10.0 112.655 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 110.1 22.29 6.61 Favored Glycine 0 CA--C 1.518 0.271 0 C-N-CA 120.457 -0.877 . . . . 10.0 113.527 179.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . 0.4 ' HD2' HG12 ' B' ' 8' ' ' VAL . 15.2 mtmm -62.16 -42.27 99.11 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.116 0.484 . . . . 10.0 110.764 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 20.8 m -79.45 -34.43 41.54 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.997 -179.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.71 -49.79 74.11 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.686 -0.487 . . . . 10.0 109.686 178.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 13.9 mt -60.02 -44.59 94.5 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.092 -0.504 . . . . 10.0 111.262 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 18.5 m -62.96 -45.46 92.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 10.0 111.574 -179.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . 0.557 HD12 HG21 ' B' ' 29' ' ' VAL . 88.5 mt -68.13 -34.38 66.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.504 -0.317 . . . . 10.0 111.11 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' GLN . . . . . 0.622 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 12.6 mm-40 -69.83 -19.27 63.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.883 0.373 . . . . 10.0 110.299 178.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 20.5 tp -90.21 -36.89 14.5 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.04 -0.527 . . . . 10.0 111.515 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 34.6 mm -87.35 -60.04 2.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.97 0.414 . . . . 10.0 111.851 -179.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -89.53 -20.31 23.96 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.377 -0.374 . . . . 10.0 111.527 -179.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . 0.622 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 32.1 m-80 69.06 38.39 1.98 Allowed 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 113.155 0.798 . . . . 10.0 113.155 178.594 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -142.81 153.19 42.99 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.747 -0.381 . . . . 10.0 111.593 179.015 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -87.0 137.66 32.16 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.882 0.372 . . . . 10.0 111.274 -179.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.557 HG21 HD12 ' B' ' 21' ' ' ILE . 0.6 OUTLIER -110.58 103.69 15.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.822 -0.626 . . . . 10.0 110.929 179.258 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -69.75 -25.43 63.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.81 -0.632 . . . . 10.0 109.698 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.472 ' H ' ' HG2' ' B' ' 31' ' ' GLU . 1.3 mm-40 -78.35 129.23 34.74 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.032 -0.986 . . . . 10.0 110.7 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -85.22 127.79 34.43 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.493 -0.321 . . . . 10.0 110.169 179.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -122.41 108.9 33.33 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.274 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -68.83 82.81 0.56 Allowed 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 123.212 2.608 . . . . 10.0 111.372 179.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -88.72 119.0 28.8 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.6 -0.727 . . . . 10.0 110.776 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.568 ' HA ' ' HB2' ' B' ' 59' ' ' ALA . 25.5 mm -73.09 -45.01 55.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.339 -179.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . 0.458 ' HG2' HD11 ' B' ' 56' ' ' LEU . 2.5 tt0 -163.84 102.9 0.9 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.367 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -126.88 132.48 50.92 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.494 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.7 p -106.95 148.61 28.44 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.677 0.621 . . . . 10.0 112.677 -178.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -133.26 139.6 47.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.704 -0.68 . . . . 10.0 109.877 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -120.92 132.5 54.99 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.609 0.243 . . . . 10.0 110.875 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 73.0 tttt -154.21 137.97 16.16 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.244 -0.435 . . . . 10.0 110.347 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -112.47 118.9 36.43 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.31 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 19.4 m -128.18 176.85 6.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.292 -0.413 . . . . 10.0 111.446 -179.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 84.7 t -105.05 114.11 43.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.255 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 48.0 mt -123.79 125.14 70.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.551 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . 0.452 ' HA ' ' HB2' ' C' ' 128' ' ' LYS . 13.5 m-20 64.37 17.15 10.61 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.514 -0.766 . . . . 10.0 111.687 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.93 -0.63 62.68 Favored Glycine 0 C--N 1.334 0.439 0 C-N-CA 121.028 -0.606 . . . . 10.0 112.292 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -117.37 136.16 53.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 122.739 -0.271 . . . . 10.0 110.727 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.08 125.29 26.9 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.339 -0.986 . . . . 10.0 108.339 178.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 7.6 m -123.84 134.49 53.58 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.929 0.395 . . . . 10.0 111.793 -178.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 39.4 tp -93.21 109.81 21.32 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.508 -0.923 . . . . 10.0 108.508 178.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . 0.622 HD13 ' HE1' ' B' ' 156' ' ' PHE . 35.3 mt -91.72 123.46 35.13 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 112.666 0.617 . . . . 10.0 112.666 -178.093 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . 0.457 ' HB3' ' HA ' ' B' ' 5' ' ' LYS . 20.8 t0 -107.02 86.2 2.27 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.284 -1.006 . . . . 10.0 108.284 178.412 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 9.3 mt -84.9 143.37 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.665 -0.698 . . . . 10.0 111.727 -177.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.458 HD11 ' HG2' ' B' ' 37' ' ' GLU . 46.2 tp -136.5 111.65 9.02 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.354 -0.385 . . . . 10.0 111.333 179.479 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -92.55 114.25 26.75 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.83 -0.804 . . . . 10.0 108.83 179.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 3.4 p -114.8 151.62 33.51 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.84 0.352 . . . . 10.0 111.923 -178.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' ALA . . . . . 0.568 ' HB2' ' HA ' ' B' ' 36' ' ' ILE . . . -70.95 132.34 45.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.143 0.497 . . . . 10.0 111.382 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' GLY . . . . . 0.482 ' HA3' ' O ' ' B' ' 10' ' ' GLY . . . -105.56 36.28 4.5 Favored Glycine 0 N--CA 1.447 -0.58 0 N-CA-C 110.932 -0.867 . . . . 10.0 110.932 179.557 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -89.44 8.22 31.97 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.696 0.284 . . . . 10.0 110.94 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 69.19 -169.12 0.18 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.765 -0.652 . . . . 10.0 112.412 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 78.43 -23.89 0.23 Allowed 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 123.435 0.694 . . . . 10.0 111.722 -179.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' TYR . . . . . 0.592 ' HB3' ' HB3' ' B' ' 67' ' ' MET . 11.3 m-85 -84.04 47.13 1.27 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.533 -0.303 . . . . 10.0 111.007 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -57.88 -45.71 85.95 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.45 -0.341 . . . . 10.0 111.804 -179.333 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.59 -34.95 19.72 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.247 0.546 . . . . 10.0 111.416 -179.301 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . 0.592 ' HB3' ' HB3' ' B' ' 64' ' ' TYR . 19.7 ttt -64.26 -37.43 87.46 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.793 -0.64 . . . . 10.0 111.437 -179.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' ARG . . . . . 0.684 ' HA ' ' CZ ' ' B' ' 71' ' ' TYR . 12.0 ttp180 -59.09 -40.23 84.61 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.025 -0.534 . . . . 10.0 112.398 -179.273 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -55.76 -40.69 72.93 Favored 'General case' 0 C--O 1.225 -0.218 0 N-CA-C 112.544 0.572 . . . . 10.0 112.544 -178.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -58.66 -57.08 14.57 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.501 0.926 . . . . 10.0 113.501 -177.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' TYR . . . . . 0.684 ' CZ ' ' HA ' ' B' ' 68' ' ' ARG . 25.3 p90 -72.32 -24.11 61.26 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.296 -0.561 . . . . 10.0 112.25 -179.157 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . 0.49 ' SD ' ' HG2' ' B' ' 99' ' ' GLN . 29.5 mtt -70.97 -36.21 72.45 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.234 0.54 . . . . 10.0 110.146 178.405 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 45.2 ttm105 -70.61 -39.8 73.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.813 -0.63 . . . . 10.0 110.349 179.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 4.4 m -73.99 -27.48 60.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.77 -0.65 . . . . 10.0 111.708 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -75.94 158.98 50.34 Favored Glycine 0 CA--C 1.52 0.361 0 C-N-CA 120.888 -0.672 . . . . 10.0 113.597 -179.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -114.71 -54.48 2.57 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.296 -0.631 . . . . 10.0 109.296 179.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' GLY . . . . . 0.432 ' O ' ' HA ' ' B' ' 6' ' ' LEU . . . -106.73 139.75 14.99 Favored Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 110.174 -1.17 . . . . 10.0 110.174 178.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . 0.592 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 96.9 m-85 -116.57 130.1 56.55 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.246 0.546 . . . . 10.0 112.389 -178.521 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.526 HD23 HG13 ' B' ' 8' ' ' VAL . 13.2 tp -98.86 91.23 4.97 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.424 -0.807 . . . . 10.0 109.572 179.689 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 35.1 m -84.01 95.76 8.66 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.097 0.475 . . . . 10.0 110.412 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 25.4 t -98.77 131.87 45.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.465 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 82' ' ' PHE . . . . . 0.541 ' HB3' HD11 ' B' ' 93' ' ' ILE . 33.7 p90 -133.1 160.37 37.38 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.146 -0.479 . . . . 10.0 109.815 178.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.445 ' HB3' ' HB3' ' B' ' 86' ' ' ASN . . . -101.86 126.57 48.77 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.67 -0.493 . . . . 10.0 109.67 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 33.2 pt -65.38 -11.04 11.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 112.333 0.494 . . . . 10.0 112.333 -179.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -103.82 -5.08 22.75 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.765 0.317 . . . . 10.0 111.01 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.445 ' HB3' ' HB3' ' B' ' 83' ' ' ALA . 24.4 t-20 -120.2 105.71 11.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.602 -179.142 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 27.5 m -61.13 -38.5 86.6 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.47 0.545 . . . . 10.0 112.47 -179.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -56.68 -44.54 81.52 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.062 0.393 . . . . 10.0 112.062 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 93.3 p -64.51 -29.88 70.91 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.694 0.283 . . . . 10.0 111.426 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -76.04 -34.4 59.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.05 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -71.91 -40.76 68.58 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.978 -0.555 . . . . 10.0 110.624 179.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.14 -21.55 59.52 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.48 -0.782 . . . . 10.0 112.617 -179.129 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 93' ' ' ILE . . . . . 0.541 HD11 ' HB3' ' B' ' 82' ' ' PHE . 49.5 mm -54.79 -50.71 58.74 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-O 120.777 0.322 . . . . 10.0 111.284 -179.684 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -63.85 -35.4 80.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 10.0 110.794 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 38.2 m-70 -63.36 -41.5 98.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.484 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 96' ' ' TYR . . . . . 0.411 ' HE2' ' HA2' ' B' ' 10' ' ' GLY . 22.8 m-85 -68.67 -45.48 71.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.132 -0.486 . . . . 10.0 110.897 179.528 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 97' ' ' ARG . . . . . 0.459 ' HD3' ' HE2' ' B' ' 101' ' ' LYS . 2.1 tmt_? -54.14 -44.1 71.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.008 -0.542 . . . . 10.0 111.408 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -67.45 -36.75 81.8 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.358 -0.383 . . . . 10.0 111.951 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 99' ' ' GLN . . . . . 0.534 ' O ' HG23 ' B' ' 103' ' ' VAL . 27.2 tt0 -69.84 -48.64 58.14 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 110.267 -0.272 . . . . 10.0 110.267 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 83.9 mt -54.03 -49.54 60.01 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 O-C-N 123.547 0.529 . . . . 10.0 111.18 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 101' ' ' LYS . . . . . 0.475 ' HB2' ' HE3' ' B' ' 101' ' ' LYS . 26.5 mtmt -64.59 -23.72 67.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.665 -0.698 . . . . 10.0 111.945 -179.481 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 9.2 tmm_? -81.6 -41.58 21.32 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.306 -0.406 . . . . 10.0 111.374 -179.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 103' ' ' VAL . . . . . 0.534 HG23 ' O ' ' B' ' 99' ' ' GLN . 25.8 t -63.34 -53.4 46.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.27 -0.423 . . . . 10.0 111.93 -179.205 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -83.46 -8.66 59.33 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.497 -0.319 . . . . 10.0 111.843 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 38.7 t70 54.02 70.44 0.6 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.915 -0.584 . . . . 10.0 111.657 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 17.6 t -166.08 153.15 9.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.639 -0.71 . . . . 10.0 109.558 179.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 22.3 tp10 -100.52 -5.53 26.78 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.262 0.553 . . . . 10.0 109.646 179.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -112.73 95.04 5.2 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.803 -0.635 . . . . 10.0 111.23 -179.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . 0.405 ' HA ' ' HD3' ' B' ' 110' ' ' PRO . 23.3 t -128.29 126.84 23.7 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 109.398 -0.593 . . . . 10.0 109.398 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 110' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 26.9 Cg_exo -64.39 109.24 1.15 Allowed 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 123.117 2.545 . . . . 10.0 111.722 179.386 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 111' ' ' MET . . . . . 0.592 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 52.3 mtm -141.7 159.96 41.15 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.066 -0.515 . . . . 10.0 111.111 -179.376 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 98.8 t -138.86 147.84 24.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 108.662 -0.866 . . . . 10.0 108.662 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 17.0 tp -94.9 113.93 25.71 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.533 -0.543 . . . . 10.0 109.533 179.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 37.6 t -105.83 110.09 30.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.326 0.584 . . . . 10.0 112.569 -178.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -101.27 103.98 2.65 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 109.984 -1.247 . . . . 10.0 109.984 178.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -96.78 170.26 9.3 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.927 0.363 . . . . 10.0 111.624 -178.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . 0.799 ' HB3' HD12 ' B' ' 120' ' ' LEU . 96.0 mttt 67.88 27.99 7.12 Favored 'General case' 0 N--CA 1.463 0.188 0 O-C-N 123.645 0.59 . . . . 10.0 111.554 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 86.0 m -71.79 -9.89 58.96 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 112.611 0.597 . . . . 10.0 112.611 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -90.35 -3.2 57.89 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.79 0.329 . . . . 10.0 110.563 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . 0.799 HD12 ' HB3' ' B' ' 117' ' ' LYS . 64.8 mt -89.18 142.2 29.81 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 10.0 111.079 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -72.52 163.89 37.22 Favored 'Trans proline' 0 C--O 1.237 0.446 0 C-N-CA 122.544 2.163 . . . . 10.0 112.17 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 51.7 m 55.77 78.66 0.19 Allowed 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 115.598 -0.728 . . . . 10.0 111.667 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -92.6 134.29 35.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.519 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -85.76 -41.22 15.28 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.212 179.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 62.0 t -92.25 126.06 44.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.148 0.499 . . . . 10.0 109.97 178.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 126' ' ' ASP . . . . . 0.556 ' OD1' ' HD3' ' B' ' 128' ' ' LYS . 6.8 t0 -89.57 145.56 25.19 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.539 -0.755 . . . . 10.0 110.498 -179.7 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . 0.651 HG23 ' HE2' ' B' ' 141' ' ' PHE . 5.3 m -59.05 -34.22 71.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.054 0.454 . . . . 10.0 110.962 179.702 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 128' ' ' LYS . . . . . 0.977 ' HB3' ' HA ' ' C' ' 47' ' ' ASP . 7.2 mtpt -61.78 -57.7 10.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.474 -0.785 . . . . 10.0 110.982 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . 0.492 ' HG2' ' HB3' ' B' ' 126' ' ' ASP . 4.4 pt20 -62.02 -34.88 77.02 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.934 -0.306 . . . . 10.0 111.71 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.2 -46.97 72.28 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.097 0.475 . . . . 10.0 110.709 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . 0.404 ' HG2' ' HD2' ' B' ' 141' ' ' PHE . 0.0 OUTLIER -68.34 -36.11 78.76 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.088 -0.506 . . . . 10.0 111.155 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -67.51 -33.82 75.86 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.072 0.463 . . . . 10.0 109.853 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 26.9 tp -72.04 -42.66 66.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.813 -0.631 . . . . 10.0 109.362 178.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.87 -31.34 72.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.956 -0.565 . . . . 10.0 109.868 178.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -63.55 -36.21 83.04 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.69 -0.687 . . . . 10.0 110.101 178.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.2 -39.95 86.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.585 -0.734 . . . . 10.0 110.605 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 137' ' ' TYR . . . . . 0.452 ' HB2' HG12 ' B' ' 139' ' ' ILE . 22.5 m-85 -76.37 -32.76 58.78 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.392 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 91.99 31.66 9.05 Favored Glycine 0 N--CA 1.447 -0.578 0 N-CA-C 110.712 -0.955 . . . . 10.0 110.712 -179.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 139' ' ' ILE . . . . . 0.452 HG12 ' HB2' ' B' ' 137' ' ' TYR . 46.5 pt -120.82 159.08 50.28 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.14 -0.53 . . . . 10.0 110.494 -178.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -82.46 158.31 16.92 Favored 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 122.95 2.433 . . . . 10.0 111.852 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 141' ' ' PHE . . . . . 0.651 ' HE2' HG23 ' B' ' 127' ' ' THR . 60.3 t80 -137.15 129.59 29.86 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.196 -0.456 . . . . 10.0 110.716 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 142' ' ' ILE . . . . . 0.529 HD13 ' HA ' ' B' ' 155' ' ' ALA . 3.3 mp -131.96 129.98 60.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.369 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -73.78 114.07 11.64 Favored 'General case' 0 C--N 1.333 -0.131 0 N-CA-C 108.485 -0.931 . . . . 10.0 108.485 178.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 6.3 p -111.13 155.4 22.91 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 114.053 1.131 . . . . 10.0 114.053 -177.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 145' ' ' SER . . . . . 0.484 ' HB3' ' HB3' ' B' ' 150' ' ' GLN . 16.2 t -149.04 98.56 2.85 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 106.993 -1.484 . . . . 10.0 106.993 177.739 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -59.54 -35.18 73.72 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.015 0.436 . . . . 10.0 111.589 -179.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -58.28 -43.29 87.94 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.668 -0.696 . . . . 10.0 111.391 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.83 5.44 43.45 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.358 -0.383 . . . . 10.0 112.032 -178.537 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 149' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' B' ' 149' ' ' ARG . 5.7 tpt180 57.29 29.57 17.01 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 121.74 0.781 . . . . 10.0 110.316 -179.009 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 150' ' ' GLN . . . . . 0.484 ' HB3' ' HB3' ' B' ' 145' ' ' SER . 50.7 tt0 -89.04 120.69 30.67 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.406 -0.815 . . . . 10.0 111.348 -178.731 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 76.03 -9.56 18.16 Favored Glycine 0 C--N 1.332 0.341 0 CA-C-N 115.545 -0.752 . . . . 10.0 113.549 178.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 97.0 t -55.22 -41.22 59.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 112.123 0.416 . . . . 10.0 112.123 -179.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -71.43 -57.45 4.42 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 112.029 0.381 . . . . 10.0 112.029 -179.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -56.92 -42.07 79.32 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.619 0.6 . . . . 10.0 112.619 -178.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 155' ' ' ALA . . . . . 0.529 ' HA ' HD13 ' B' ' 142' ' ' ILE . . . -57.5 -53.62 56.09 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 120.922 0.391 . . . . 10.0 112.008 -179.5 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 156' ' ' PHE . . . . . 0.622 ' HE1' HD13 ' B' ' 53' ' ' LEU . 0.8 OUTLIER -66.08 -38.87 89.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.431 -0.35 . . . . 10.0 111.059 -179.479 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -61.3 -48.8 79.73 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.975 -0.557 . . . . 10.0 111.479 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 25.4 m -61.28 -35.35 77.09 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.055 0.391 . . . . 10.0 112.055 -179.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 56.8 tp -60.02 -44.56 94.53 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.742 0.306 . . . . 10.0 111.284 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 21.7 t -67.89 -36.11 74.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.019 0.437 . . . . 10.0 110.246 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 161' ' ' ARG . . . . . 0.625 ' HB3' ' HG3' ' C' ' 135' ' ' ARG . 85.2 mtm-85 -64.42 -32.6 74.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.777 -0.647 . . . . 10.0 111.388 179.521 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -61.88 -38.35 87.99 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.959 -0.385 . . . . 10.0 109.959 178.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 73.5 mt -67.89 -45.46 83.97 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.107 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 3.3 mtt85 -64.58 -44.25 91.29 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.709 179.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 8.8 ttmt . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 115.654 -0.703 . . . . 10.0 110.813 179.805 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 C--O 1.233 0.209 0 CA-C-O 120.907 0.384 . . . . 10.0 110.517 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 7.3 m -105.82 138.89 41.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.727 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -92.72 127.19 38.13 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.277 -0.638 . . . . 10.0 109.277 179.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -118.38 119.84 35.81 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.643 -0.503 . . . . 10.0 109.643 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -86.86 121.08 28.85 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.742 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . 0.677 HD11 ' HB3' ' C' ' 53' ' ' LEU . 0.1 OUTLIER -123.93 122.96 39.34 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.413 -0.358 . . . . 10.0 111.332 -178.592 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 48.5 t -110.22 129.66 64.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 110.09 -0.337 . . . . 10.0 110.09 179.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 1.3 t -95.89 107.83 20.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.787 0.327 . . . . 10.0 110.539 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 21.4 m -106.03 146.54 12.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.81 0.338 . . . . 10.0 111.333 -179.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 159.58 173.67 28.35 Favored Glycine 0 N--CA 1.442 -0.905 0 N-CA-C 111.378 -0.689 . . . . 10.0 111.378 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.21 -176.05 5.38 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.201 0.524 . . . . 10.0 111.633 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.9 146.46 26.71 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.239 -0.437 . . . . 10.0 110.577 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 81.68 5.0 90.21 Favored Glycine 0 CA--C 1.521 0.414 0 C-N-CA 121.108 -0.568 . . . . 10.0 113.613 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 14' ' ' VAL . . . . . 0.492 ' CG2' ' HG3' ' C' ' 16' ' ' LYS . 27.7 m -77.45 -42.95 30.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 117.261 0.53 . . . . 10.0 112.204 179.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . 0.412 ' HA3' ' ND2' ' C' ' 116' ' ' ASN . . . 126.47 11.63 3.66 Favored Glycine 0 C--N 1.333 0.381 0 C-N-CA 120.407 -0.902 . . . . 10.0 114.201 178.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . 0.492 ' HG3' ' CG2' ' C' ' 14' ' ' VAL . 7.2 mtmt -54.85 -39.98 69.16 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.34 0.496 . . . . 10.0 112.34 -179.54 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 51.1 m -72.64 -48.03 42.75 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 110.151 -0.314 . . . . 10.0 110.151 -179.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.24 -44.16 88.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.953 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 45.5 mt -62.93 -39.18 93.81 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.534 179.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 49.3 m -69.32 -47.95 62.92 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.893 -0.594 . . . . 10.0 110.726 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 78.1 mt -61.08 -37.95 78.52 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 CA-C-O 120.886 0.374 . . . . 10.0 110.398 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 22' ' ' GLN . . . . . 0.527 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 1.0 OUTLIER -65.77 -40.1 91.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.29 -0.414 . . . . 10.0 110.908 179.325 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . 0.44 HD13 HG12 ' C' ' 152' ' ' VAL . 4.3 tp -81.74 -15.14 55.29 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 112.109 0.411 . . . . 10.0 112.109 -179.24 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 24' ' ' ILE . . . . . 0.443 HD11 HD12 ' C' ' 55' ' ' ILE . 25.8 mm -101.4 -58.03 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 112.372 0.508 . . . . 10.0 112.372 -179.355 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -97.39 -9.61 27.05 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.404 0.52 . . . . 10.0 112.404 -177.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 26' ' ' ASN . . . . . 0.527 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 67.9 m-20 69.63 44.13 0.92 Allowed 'General case' 0 C--O 1.234 0.285 0 N-CA-C 113.713 1.005 . . . . 10.0 113.713 178.425 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 9.0 p80 -157.05 148.19 21.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.889 0.376 . . . . 10.0 111.248 178.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -98.34 134.54 41.2 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.79 -0.641 . . . . 10.0 110.032 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 13.4 m -99.72 142.76 14.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.391 -0.368 . . . . 10.0 110.283 179.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -93.07 -24.84 18.17 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.094 0.473 . . . . 10.0 110.907 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -87.85 142.66 27.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.167 -0.47 . . . . 10.0 110.917 179.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -98.81 114.77 27.47 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.975 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . 0.409 ' HA ' ' HD3' ' C' ' 34' ' ' PRO . 8.9 t70 -104.0 119.58 53.89 Favored Pre-proline 0 C--N 1.32 -0.708 0 CA-C-N 115.571 -0.74 . . . . 10.0 110.134 178.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 34' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' C' ' 33' ' ' ASP . 31.4 Cg_exo -61.34 99.71 0.17 Allowed 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 123.398 2.732 . . . . 10.0 111.391 179.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.15 126.69 31.07 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.285 -0.87 . . . . 10.0 111.101 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . 0.506 ' HA ' ' HB2' ' C' ' 59' ' ' ALA . 49.8 mm -93.43 -44.47 13.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 108.559 -0.904 . . . . 10.0 108.559 178.334 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 37' ' ' GLU . . . . . 0.671 ' HG3' HG22 ' C' ' 58' ' ' THR . 8.6 tt0 176.67 99.58 0.02 OUTLIER 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.25 -0.886 . . . . 10.0 109.86 178.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -124.03 138.4 54.46 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.299 -0.41 . . . . 10.0 110.555 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 3.0 p -119.12 151.4 38.36 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.147 -0.479 . . . . 10.0 111.884 -179.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -144.2 139.77 28.91 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.626 -0.715 . . . . 10.0 110.417 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . 0.504 ' HA ' ' O ' ' C' ' 53' ' ' LEU . 1.6 mpp_? -111.93 129.69 56.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 10.0 111.085 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -141.4 138.55 33.05 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.989 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -106.44 125.61 51.22 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.824 -0.625 . . . . 10.0 110.105 179.688 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 2.5 m -138.35 162.84 29.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.591 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 42.2 t -96.98 93.79 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.061 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 46' ' ' ILE . . . . . 0.439 HG22 ' OD2' ' C' ' 47' ' ' ASP . 19.5 mt -93.3 107.75 19.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.951 -0.568 . . . . 10.0 111.108 -179.094 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 47' ' ' ASP . . . . . 0.977 ' HA ' ' HB3' ' B' ' 128' ' ' LYS . 1.5 m-20 61.23 23.63 13.83 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.124 -0.944 . . . . 10.0 112.051 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.05 -5.69 68.71 Favored Glycine 0 N--CA 1.451 -0.363 0 N-CA-C 111.068 -0.813 . . . . 10.0 111.068 -179.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -101.66 112.18 24.67 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.669 -0.493 . . . . 10.0 109.669 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.38 119.04 10.25 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.834 -0.432 . . . . 10.0 109.834 179.476 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 26.8 m -123.5 136.08 54.38 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 112.838 0.681 . . . . 10.0 112.838 -178.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 55.9 tp -98.44 108.92 21.73 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 106.97 -1.493 . . . . 10.0 106.97 177.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . 0.677 ' HB3' HD11 ' C' ' 6' ' ' LEU . 38.9 mt -91.07 128.84 37.05 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 113.96 1.096 . . . . 10.0 113.96 -177.213 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 59.2 t0 -109.56 88.97 2.87 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 107.453 -1.314 . . . . 10.0 107.453 177.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 55' ' ' ILE . . . . . 0.554 HG12 HD12 ' C' ' 6' ' ' LEU . 3.7 mt -85.94 141.83 13.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.417 -0.81 . . . . 10.0 111.079 -178.012 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . 0.611 HD11 ' HG2' ' C' ' 37' ' ' GLU . 39.5 tp -140.58 110.32 6.42 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.488 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -95.2 101.33 13.07 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 109.039 -0.726 . . . . 10.0 109.039 177.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 58' ' ' THR . . . . . 0.671 HG22 ' HG3' ' C' ' 37' ' ' GLU . 76.8 p -85.79 167.05 15.56 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.731 -0.668 . . . . 10.0 111.392 -178.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 59' ' ' ALA . . . . . 0.506 ' HB2' ' HA ' ' C' ' 36' ' ' ILE . . . -68.58 141.52 55.43 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.884 -0.598 . . . . 10.0 111.008 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -118.39 40.69 2.22 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.755 -0.736 . . . . 10.0 112.456 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 61' ' ' GLN . . . . . 0.437 ' HB2' ' OH ' ' C' ' 64' ' ' TYR . 28.8 mt-30 -104.59 7.68 35.14 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.811 0.338 . . . . 10.0 110.929 179.703 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 62' ' ' GLU . . . . . 0.495 ' HB3' ' H ' ' C' ' 63' ' ' GLU . 8.2 mm-40 58.19 -157.96 0.3 Allowed 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.778 -0.646 . . . . 10.0 112.343 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 63' ' ' GLU . . . . . 0.495 ' H ' ' HB3' ' C' ' 62' ' ' GLU . 3.6 tt0 77.25 -53.29 0.55 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.81 -0.632 . . . . 10.0 112.008 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 64' ' ' TYR . . . . . 0.437 ' OH ' ' HB2' ' C' ' 61' ' ' GLN . 0.2 OUTLIER -84.82 68.57 10.51 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.09 0.471 . . . . 10.0 112.079 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 9.2 m -67.71 -27.6 66.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.265 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -72.56 -28.45 62.83 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.938 -0.574 . . . . 10.0 111.075 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 23.6 ttt -72.52 -32.01 65.78 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.37 0.605 . . . . 10.0 110.614 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 68' ' ' ARG . . . . . 0.565 ' HA ' ' CE1' ' C' ' 71' ' ' TYR . 21.2 ttp180 -75.7 -32.12 59.96 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.013 -0.54 . . . . 10.0 111.451 -179.461 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -57.57 -29.17 64.21 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.084 -0.507 . . . . 10.0 112.291 -179.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -72.63 -59.95 2.47 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 113.516 0.932 . . . . 10.0 113.516 -178.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 71' ' ' TYR . . . . . 0.565 ' CE1' ' HA ' ' C' ' 68' ' ' ARG . 24.9 p90 -66.73 -14.42 62.53 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 113.636 0.976 . . . . 10.0 113.636 -178.471 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 26.6 mtt -69.88 -24.8 63.47 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.868 0.365 . . . . 10.0 110.851 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 46.8 mtt180 -80.04 -45.91 17.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.478 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -69.77 -44.11 70.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.532 -0.758 . . . . 10.0 111.757 -179.347 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.27 128.39 36.25 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 121.012 -0.613 . . . . 10.0 113.123 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -79.53 -58.74 3.05 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 109.677 -0.49 . . . . 10.0 109.677 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -112.47 159.77 13.52 Favored Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 111.222 -0.751 . . . . 10.0 111.222 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 78' ' ' PHE . . . . . 0.497 ' HE2' ' HD2' ' C' ' 104' ' ' LYS . 91.8 m-85 -131.68 136.54 47.76 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.819 0.343 . . . . 10.0 110.889 -179.241 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 79' ' ' LEU . . . . . 0.401 HD12 ' HB ' ' C' ' 112' ' ' VAL . 18.3 tp -104.76 116.35 31.88 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.228 -0.442 . . . . 10.0 109.832 179.336 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 80' ' ' CYS . . . . . 0.616 ' HB3' HD12 ' C' ' 93' ' ' ILE . 13.6 m -83.49 101.01 11.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.489 -0.323 . . . . 10.0 110.134 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 94.9 t -103.73 124.48 58.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.086 -0.506 . . . . 10.0 110.946 -179.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 26.6 p90 -138.47 158.95 43.28 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.717 -0.475 . . . . 10.0 109.717 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 83' ' ' ALA . . . . . 0.448 ' HB2' ' HA ' ' C' ' 14' ' ' VAL . . . -101.23 131.73 47.09 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.722 -0.473 . . . . 10.0 109.722 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 84' ' ' ILE . . . . . 0.54 HD12 ' HB3' ' C' ' 123' ' ' ARG . 38.1 pt -62.84 -19.62 23.65 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 N-CA-C 112.262 0.467 . . . . 10.0 112.262 -178.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 22.3 p-10 -94.79 3.65 54.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.256 0.55 . . . . 10.0 110.547 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 44.1 t-20 -124.95 95.58 4.55 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.879 -0.601 . . . . 10.0 110.237 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -36.78 84.71 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.043 -0.526 . . . . 10.0 111.836 -179.065 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -60.94 -41.39 96.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.217 -0.447 . . . . 10.0 111.177 -179.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 86.9 p -65.22 -24.66 67.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.915 0.388 . . . . 10.0 111.621 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -79.06 -38.38 36.59 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.11 -0.495 . . . . 10.0 110.168 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -71.85 -30.54 65.56 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.298 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -66.24 -21.42 66.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.601 -0.727 . . . . 10.0 111.501 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 93' ' ' ILE . . . . . 0.616 HD12 ' HB3' ' C' ' 80' ' ' CYS . 47.9 mm -56.09 -40.52 64.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.554 -0.294 . . . . 10.0 110.677 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 50.7 t60 -62.76 -50.93 69.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.252 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 47.1 m-70 -58.02 -41.46 83.22 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.696 -0.683 . . . . 10.0 111.104 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 22.1 m-30 -69.83 -42.89 73.04 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.014 -0.539 . . . . 10.0 111.237 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -62.32 -44.55 96.24 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.035 -0.53 . . . . 10.0 111.621 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . 0.445 ' HA ' ' HE2' ' C' ' 101' ' ' LYS . 31.6 mm-40 -61.9 -38.24 87.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.401 -0.363 . . . . 10.0 111.15 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -67.2 -41.81 85.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.744 0.306 . . . . 10.0 110.528 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 96.0 mt -54.87 -49.94 65.92 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 CA-C-N 115.773 -0.649 . . . . 10.0 110.632 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 101' ' ' LYS . . . . . 0.445 ' HE2' ' HA ' ' C' ' 98' ' ' GLU . 39.8 mtmt -63.14 -38.97 93.27 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.753 -0.658 . . . . 10.0 111.182 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 102' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' C' ' 102' ' ' ARG . 46.6 ttm105 -63.81 -51.06 66.46 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.909 -0.587 . . . . 10.0 111.907 -179.147 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 53.0 t -68.33 -42.46 84.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 112.604 0.594 . . . . 10.0 112.604 -178.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 104' ' ' LYS . . . . . 0.497 ' HD2' ' HE2' ' C' ' 78' ' ' PHE . 30.0 mtpp -82.71 -9.58 59.3 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.641 0.608 . . . . 10.0 112.641 -178.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 15.5 t70 56.79 36.38 27.61 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.309 0.576 . . . . 10.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 43.7 t -140.45 135.27 31.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.714 -0.675 . . . . 10.0 110.434 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -86.32 -29.02 23.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.427 0.632 . . . . 10.0 110.061 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -103.32 106.79 17.39 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.618 -0.719 . . . . 10.0 110.781 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 58.5 t -134.58 132.36 20.72 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 115.552 -0.749 . . . . 10.0 109.735 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_exo -58.0 106.73 0.27 Allowed 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.772 2.315 . . . . 10.0 111.603 179.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 111' ' ' MET . . . . . . . . . . . . . 63.3 mtm -138.57 149.73 45.59 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.645 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 112' ' ' VAL . . . . . 0.419 HG22 ' HG2' ' C' ' 140' ' ' PRO . 79.1 t -133.83 135.72 54.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 116.149 -0.478 . . . . 10.0 109.742 179.667 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 113' ' ' LEU . . . . . 0.532 ' O ' ' HA ' ' C' ' 141' ' ' PHE . 28.8 tp -97.48 119.86 36.8 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.239 -0.652 . . . . 10.0 109.239 179.454 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 2.1 m -128.82 130.19 68.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-O 120.989 0.423 . . . . 10.0 111.415 -179.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -97.11 129.61 9.96 Favored Glycine 0 N--CA 1.445 -0.731 0 N-CA-C 110.835 -0.906 . . . . 10.0 110.835 178.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 116' ' ' ASN . . . . . 0.412 ' ND2' ' HA3' ' C' ' 15' ' ' GLY . 63.5 t30 -101.86 164.5 11.69 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 122.623 -0.339 . . . . 10.0 111.16 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 117' ' ' LYS . . . . . 0.473 ' HB3' HD12 ' C' ' 120' ' ' LEU . 95.8 mttt 62.68 33.2 15.78 Favored 'General case' 0 N--CA 1.463 0.212 0 O-C-N 123.593 0.558 . . . . 10.0 111.549 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 118' ' ' CYS . . . . . 0.486 ' HA ' HD13 ' C' ' 84' ' ' ILE . 78.9 m -72.68 -2.12 18.95 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.647 0.61 . . . . 10.0 112.647 -179.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -96.8 -2.9 43.21 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.217 0.532 . . . . 10.0 110.194 179.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 120' ' ' LEU . . . . . 0.473 HD12 ' HB3' ' C' ' 117' ' ' LYS . 42.9 mt -93.45 145.98 30.99 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.574 -0.739 . . . . 10.0 110.284 179.558 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -82.34 169.24 14.26 Favored 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 122.796 2.331 . . . . 10.0 112.113 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 3.4 m 58.72 69.87 0.7 Allowed 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.775 -0.648 . . . . 10.0 112.528 179.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 123' ' ' ARG . . . . . 0.54 ' HB3' HD12 ' C' ' 84' ' ' ILE . 15.4 ptp180 -89.28 144.85 25.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.068 -0.514 . . . . 10.0 110.085 179.349 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.96 -34.84 15.01 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.778 0.323 . . . . 10.0 110.538 -179.252 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 89.3 t -102.21 117.73 47.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 109.876 -0.416 . . . . 10.0 109.876 178.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 126' ' ' ASP . . . . . 0.673 ' OD1' ' HG2' ' C' ' 128' ' ' LYS . 10.9 t70 -73.3 151.71 41.21 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.16 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 3.3 m -58.5 -42.52 87.82 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.576 -0.284 . . . . 10.0 111.143 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 128' ' ' LYS . . . . . 0.673 ' HG2' ' OD1' ' C' ' 126' ' ' ASP . 8.3 pttm -60.22 -42.57 95.46 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 113.434 0.902 . . . . 10.0 113.434 -178.295 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -72.51 -33.34 66.85 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.735 -0.386 . . . . 10.0 111.183 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -70.17 -37.46 75.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.245 0.545 . . . . 10.0 109.629 178.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 131' ' ' GLN . . . . . 0.552 ' HB3' ' CZ ' ' B' ' 161' ' ' ARG . 70.8 mt-30 -69.64 -40.58 76.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.559 -0.746 . . . . 10.0 110.382 179.497 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -59.9 -46.18 90.18 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.302 -0.408 . . . . 10.0 111.376 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 50.8 tp -59.88 -42.46 93.79 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.07 0.462 . . . . 10.0 110.169 179.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.89 -35.33 80.33 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.036 179.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 135' ' ' ARG . . . . . 0.625 ' HG3' ' HB3' ' B' ' 161' ' ' ARG . 7.1 tmm_? -64.87 -42.53 94.77 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 115.772 -0.649 . . . . 10.0 110.583 179.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 17.5 m -64.83 -27.36 68.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.067 0.461 . . . . 10.0 110.532 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 11.2 m-30 -85.45 -39.22 17.76 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.057 -0.52 . . . . 10.0 110.572 178.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 98.59 25.76 9.72 Favored Glycine 0 N--CA 1.448 -0.541 0 N-CA-C 110.975 -0.85 . . . . 10.0 110.975 -179.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 47.8 pt -114.91 150.42 44.1 Favored Pre-proline 0 C--N 1.326 -0.44 0 N-CA-C 110.36 -0.237 . . . . 10.0 110.36 -179.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 140' ' ' PRO . . . . . 0.419 ' HG2' HG22 ' C' ' 112' ' ' VAL . 57.8 Cg_endo -74.43 147.72 37.04 Favored 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 122.507 2.138 . . . . 10.0 112.044 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 141' ' ' PHE . . . . . 0.532 ' HA ' ' O ' ' C' ' 113' ' ' LEU . 51.9 t80 -128.13 125.88 40.0 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.097 -0.501 . . . . 10.0 110.28 179.659 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 78.4 mt -131.09 129.86 63.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.356 -0.384 . . . . 10.0 110.948 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -79.2 128.18 32.98 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.765 -0.828 . . . . 10.0 108.765 178.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 5.3 p -136.37 176.84 8.33 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.902 0.704 . . . . 10.0 112.902 -177.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 6.9 t -161.84 131.87 4.79 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 108.118 -1.068 . . . . 10.0 108.118 178.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -73.48 -27.27 61.3 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.051 0.453 . . . . 10.0 110.977 -179.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 49.5 mttt -70.48 -44.06 68.5 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.827 -0.624 . . . . 10.0 111.551 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 53.9 p -82.41 -27.59 31.92 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.646 -179.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 149' ' ' ARG . . . . . 0.484 ' O ' ' HG3' ' C' ' 149' ' ' ARG . 12.1 tpt180 67.33 23.09 9.35 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 122.221 1.01 . . . . 10.0 108.729 -178.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -89.33 115.57 26.9 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.795 -1.093 . . . . 10.0 111.413 -178.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 77.2 -2.66 60.72 Favored Glycine 0 CA--C 1.52 0.349 0 CA-C-N 116.065 -0.516 . . . . 10.0 113.911 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 152' ' ' VAL . . . . . 0.44 HG12 HD13 ' C' ' 23' ' ' LEU . 37.9 t -66.75 -38.53 81.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.834 0.35 . . . . 10.0 111.482 -179.034 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -66.95 -45.55 77.43 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.096 0.474 . . . . 10.0 110.837 -179.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -70.95 -27.47 63.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.974 -0.557 . . . . 10.0 112.02 -178.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -56.91 -45.38 82.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.977 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -73.03 -35.77 66.83 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.125 -0.489 . . . . 10.0 111.093 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -62.4 -47.65 83.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.968 -0.56 . . . . 10.0 111.739 -179.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 27.4 m -61.96 -34.87 76.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.57 -0.286 . . . . 10.0 111.323 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 159' ' ' LEU . . . . . 0.431 ' O ' HG13 ' C' ' 163' ' ' ILE . 64.0 tp -60.85 -44.58 96.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.301 0.572 . . . . 10.0 109.538 178.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 78.9 t -67.67 -39.99 83.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.387 -0.824 . . . . 10.0 110.281 179.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 54.2 mtm-85 -63.04 -35.23 79.56 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.825 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 47.8 mm-40 -65.34 -34.78 79.12 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.72 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 163' ' ' ILE . . . . . 0.431 HG13 ' O ' ' C' ' 159' ' ' LEU . 54.7 mt -67.7 -42.17 86.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 108.749 -0.834 . . . . 10.0 108.749 178.344 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -61.54 -39.95 92.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.152 -0.931 . . . . 10.0 110.145 179.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 28.6 ttmt -62.21 -46.98 86.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.718 -0.674 . . . . 10.0 110.646 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 22.0 t-80 -62.13 -47.24 85.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.973 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 C--N 1.329 -0.289 0 N-CA-C 111.974 0.361 . . . . 10.0 111.974 -179.84 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 21.5 tttm . . . . . 0 N--CA 1.454 -0.244 0 CA-C-O 120.823 0.344 . . . . 10.0 110.256 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 79.8 mt -63.23 -38.35 90.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 10.0 111.169 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 27.4 mt -63.55 -34.11 77.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.294 0.569 . . . . 10.0 110.183 179.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -72.61 -47.32 48.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.429 -0.805 . . . . 10.0 110.01 179.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -61.72 -39.62 92.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.802 -0.636 . . . . 10.0 109.698 179.182 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 28.8 t90 -61.94 -33.67 74.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.348 -0.842 . . . . 10.0 110.319 178.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -61.55 -48.85 79.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.961 0.41 . . . . 10.0 110.607 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 49.8 m -59.71 -41.38 90.68 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.478 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 59.8 t -65.89 -39.38 84.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.181 0.515 . . . . 10.0 109.713 178.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 94.1 m -61.55 -45.73 92.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.773 -0.649 . . . . 10.0 109.792 178.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 20.2 m -63.66 -31.2 72.3 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.178 178.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 27.2 m -66.17 -41.57 90.12 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 109.139 -0.689 . . . . 10.0 109.139 178.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -61.96 -40.32 95.17 Favored 'General case' 0 N--CA 1.457 -0.121 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.476 179.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 215' ' ' SER . . . . . 0.432 ' O ' ' HG3' ' A' ' 219' ' ' GLU . 1.4 m -60.16 -52.28 66.0 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 109.679 -0.489 . . . . 10.0 109.679 179.092 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 216' ' ' LYS . . . . . 0.598 ' HD2' HG22 ' D' ' 557' ' ' THR . 43.0 mmtt -59.08 -39.23 81.5 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.708 -0.678 . . . . 10.0 110.378 179.279 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 43.2 mt -62.7 -46.62 87.31 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-N 115.646 -0.706 . . . . 10.0 110.776 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 11.3 mtp180 -63.27 -38.06 89.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.391 -0.368 . . . . 10.0 110.717 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 219' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' A' ' 215' ' ' SER . 44.0 mt-10 -64.46 -31.26 72.39 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 116.253 -0.431 . . . . 10.0 110.644 179.141 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -85.73 -39.04 17.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.299 179.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 35.8 mt -56.19 -40.64 74.27 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.858 -0.61 . . . . 10.0 111.716 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -50.9 -67.49 1.91 Allowed Glycine 0 CA--C 1.52 0.359 0 C-N-CA 121.11 -0.567 . . . . 10.0 111.756 179.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -54.04 -40.78 79.95 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 123.009 2.473 . . . . 10.0 111.293 178.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 24.3 t -56.34 -42.57 74.66 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-O 120.81 0.338 . . . . 10.0 110.24 179.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 225' ' ' THR . . . . . 0.434 ' O ' ' HB2' ' A' ' 229' ' ' TRP . 14.5 m -62.23 -45.25 94.17 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.643 -0.503 . . . . 10.0 109.643 178.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -62.98 -46.21 88.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.888 -0.596 . . . . 10.0 111.063 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -62.43 -52.64 62.77 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.262 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 5.3 m-30 -61.53 -41.7 97.72 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.043 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 229' ' ' TRP . . . . . 0.434 ' HB2' ' O ' ' A' ' 225' ' ' THR . 1.1 m-90 -63.62 -38.26 90.46 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 116.629 -0.26 . . . . 10.0 110.466 179.285 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -61.34 -48.7 80.13 Favored 'General case' 0 CA--C 1.52 -0.179 0 N-CA-C 109.373 -0.602 . . . . 10.0 109.373 178.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 231' ' ' ASN . . . . . 0.616 ' HA ' ' HE2' ' A' ' 234' ' ' LYS . 72.2 m-20 -63.99 -43.9 94.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.606 -0.724 . . . . 10.0 110.081 179.135 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 47.4 mt -60.06 -44.67 94.54 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 115.945 -0.571 . . . . 10.0 110.665 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -63.78 -32.18 73.59 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 116.44 -0.345 . . . . 10.0 111.269 179.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 234' ' ' LYS . . . . . 0.616 ' HE2' ' HA ' ' A' ' 231' ' ' ASN . 41.3 mtmt -73.52 -35.0 65.52 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.208 -0.664 . . . . 10.0 109.208 178.415 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -67.47 -48.87 65.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.489 -0.778 . . . . 10.0 109.063 178.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 4.4 p -65.43 -34.82 79.19 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 116.015 -0.539 . . . . 10.0 109.947 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 237' ' ' GLU . . . . . 0.544 ' HG2' HE21 ' A' ' 241' ' ' GLN . 32.5 tt0 -61.61 -44.09 97.64 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 108.49 -0.93 . . . . 10.0 108.49 177.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -61.78 -41.37 99.61 Favored Glycine 0 N--CA 1.447 -0.574 0 N-CA-C 110.429 -1.068 . . . . 10.0 110.429 178.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 94.8 mt -65.48 -34.45 78.3 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-O 120.896 0.379 . . . . 10.0 110.399 178.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 240' ' ' ARG . . . . . 0.43 ' O ' ' HB3' ' A' ' 243' ' ' MET . 49.9 mtt180 -68.38 -36.55 79.33 Favored 'General case' 0 CA--C 1.519 -0.243 0 N-CA-C 109.358 -0.608 . . . . 10.0 109.358 178.687 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 241' ' ' GLN . . . . . 0.544 HE21 ' HG2' ' A' ' 237' ' ' GLU . 67.0 mt-30 -69.93 -41.24 74.87 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 108.41 -0.959 . . . . 10.0 108.41 177.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -67.16 -26.87 66.87 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-N 115.235 -0.893 . . . . 10.0 110.265 178.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 243' ' ' MET . . . . . 0.861 ' HG3' HD12 ' A' ' 247' ' ' LEU . 39.1 ttm -58.06 -36.01 72.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.91 0.386 . . . . 10.0 110.172 178.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 244' ' ' SER . . . . . 0.448 ' HA ' ' HG2' ' A' ' 248' ' ' GLU . 17.7 m -74.81 8.21 2.6 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.409 -0.814 . . . . 10.0 111.125 179.352 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -132.13 -57.46 0.97 Allowed 'General case' 0 C--O 1.22 -0.496 0 CA-C-N 115.809 -0.632 . . . . 10.0 109.493 179.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 246' ' ' ASP . . . . . 0.69 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 21.1 t70 -57.24 -59.91 4.41 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.524 -0.762 . . . . 10.0 111.228 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 247' ' ' LEU . . . . . 0.861 HD12 ' HG3' ' A' ' 243' ' ' MET . 95.1 mt -76.88 -36.34 56.79 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.18 -0.464 . . . . 10.0 111.579 -179.575 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 248' ' ' GLU . . . . . 0.448 ' HG2' ' HA ' ' A' ' 244' ' ' SER . 73.3 mm-40 -65.75 -47.71 74.32 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.264 0.468 . . . . 10.0 112.264 -179.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -69.56 -30.8 68.67 Favored 'General case' 0 CA--C 1.517 -0.309 0 C-N-CA 121.208 -0.197 . . . . 10.0 110.83 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 250' ' ' VAL . . . . . 0.78 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 1.4 p -70.67 -30.16 41.1 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.339 0 C-N-CA 120.577 -0.449 . . . . 10.0 110.485 179.101 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 251' ' ' LYS . . . . . 0.513 ' O ' HG12 ' A' ' 254' ' ' VAL . 96.2 mttt -81.25 -34.2 32.27 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.159 0.504 . . . . 10.0 110.124 178.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -73.17 -44.27 60.2 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.063 179.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -80.32 -18.39 49.33 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.786 -0.643 . . . . 10.0 112.033 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 254' ' ' VAL . . . . . 0.78 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 1.2 p -63.53 -26.33 40.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 C-N-CA 120.859 -0.337 . . . . 10.0 110.623 179.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 255' ' ' GLN . . . . . 0.51 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 39.6 mt-30 -61.82 -63.56 4.12 Favored Pre-proline 0 CA--C 1.539 0.555 0 CA-C-N 116.416 -0.356 . . . . 10.0 110.557 179.435 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 256' ' ' PRO . . . . . 0.51 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 29.0 Cg_endo -65.92 -32.67 44.69 Favored 'Trans proline' 0 C--N 1.359 1.126 0 C-N-CA 121.449 1.433 . . . . 10.0 111.582 178.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 4.8 m-30 -61.62 -56.09 23.62 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 120.882 0.373 . . . . 10.0 110.285 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 19.3 mt -67.72 -40.25 84.26 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.983 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -57.65 -45.13 85.91 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 116.477 -0.329 . . . . 10.0 111.073 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -64.8 -50.95 64.74 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.132 -0.485 . . . . 10.0 111.115 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -63.2 -37.34 86.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.895 0.378 . . . . 10.0 111.019 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -67.14 -43.11 83.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.105 -0.498 . . . . 10.0 109.769 178.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 263' ' ' LYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 266' ' ' GLN . 0.6 OUTLIER -66.36 -41.47 89.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.995 -0.548 . . . . 10.0 109.804 179.019 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 264' ' ' LYS . . . . . 0.631 ' HE3' ' HB1' ' D' ' 509' ' ' ALA . 42.7 mttp -62.6 -41.38 98.94 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 108.981 -0.748 . . . . 10.0 108.981 178.614 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 1.6 m95 -65.91 -34.74 78.81 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.396 -0.82 . . . . 10.0 110.148 178.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 266' ' ' GLN . . . . . 0.404 ' HB2' ' O ' ' A' ' 263' ' ' LYS . 42.8 mt-30 -59.38 -48.75 80.47 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 108.817 -0.808 . . . . 10.0 108.817 178.026 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -61.84 -44.41 96.89 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.333 -0.849 . . . . 10.0 109.376 178.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 268' ' ' GLU . . . . . 0.496 ' HG2' ' HD3' ' D' ' 506' ' ' ARG . 10.7 mt-10 -58.78 -46.06 88.38 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.877 179.156 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 93.0 mmm -65.68 -43.87 87.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.101 -0.5 . . . . 10.0 110.793 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -62.19 -46.8 87.31 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.466 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 83.5 mt -62.97 -41.64 99.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 10.0 110.197 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 272' ' ' TYR . . . . . 0.435 ' HD1' ' HA ' ' A' ' 272' ' ' TYR . 0.6 OUTLIER -64.47 -41.45 96.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.96 179.256 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 273' ' ' ARG . . . . . 0.605 ' HA ' HG12 ' A' ' 276' ' ' VAL . 86.6 mtt180 -72.36 -37.26 68.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.001 0.429 . . . . 10.0 111.356 179.524 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -65.0 -33.61 76.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.925 -0.58 . . . . 10.0 110.117 178.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 275' ' ' LYS . . . . . 0.692 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 9.9 mptt -87.18 -37.89 16.89 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.828 -0.624 . . . . 10.0 111.138 179.353 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 276' ' ' VAL . . . . . 0.605 HG12 ' HA ' ' A' ' 273' ' ' ARG . 2.8 p -56.24 -32.35 34.64 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.141 0 N-CA-C 112.202 0.445 . . . . 10.0 112.202 -179.309 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -60.98 -63.71 3.99 Favored Pre-proline 0 CA--C 1.538 0.493 0 C-N-CA 121.033 -0.267 . . . . 10.0 111.262 179.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 278' ' ' PRO . . . . . 0.439 ' O ' ' HG3' ' A' ' 282' ' ' GLU . 34.0 Cg_endo -66.18 -34.77 35.38 Favored 'Trans proline' 0 C--N 1.355 0.885 0 C-N-CA 121.74 1.627 . . . . 10.0 112.119 178.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 279' ' ' LEU . . . . . 0.799 HD22 ' HE3' ' D' ' 495' ' ' LYS . 14.8 mt -63.83 -40.95 97.81 Favored 'General case' 0 C--N 1.334 -0.075 0 C-N-CA 120.775 -0.37 . . . . 10.0 110.675 179.347 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -68.46 -31.26 70.43 Favored 'General case' 0 CA--C 1.522 -0.131 0 N-CA-C 108.921 -0.77 . . . . 10.0 108.921 178.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -68.44 -46.88 68.66 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 108.852 -0.795 . . . . 10.0 108.852 178.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 282' ' ' GLU . . . . . 0.439 ' HG3' ' O ' ' A' ' 278' ' ' PRO . 59.9 mt-10 -60.58 -44.95 95.63 Favored 'General case' 0 C--O 1.227 -0.117 0 CA-C-N 115.828 -0.624 . . . . 10.0 109.617 178.505 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 34.3 mt -63.83 -42.0 97.72 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.352 179.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -58.14 -58.41 8.55 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.632 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 285' ' ' GLU . . . . . 0.459 ' HA ' ' HD2' ' A' ' 288' ' ' ARG . 38.0 mt-10 -64.24 -38.84 92.47 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.907 -0.588 . . . . 10.0 111.113 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 286' ' ' GLY . . . . . 0.465 ' O ' ' HG3' ' A' ' 290' ' ' LYS . . . -61.43 -42.39 99.76 Favored Glycine 0 N--CA 1.444 -0.798 0 N-CA-C 111.298 -0.721 . . . . 10.0 111.298 178.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -69.39 -36.91 77.25 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.692 -0.485 . . . . 10.0 109.692 178.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 288' ' ' ARG . . . . . 0.459 ' HD2' ' HA ' ' A' ' 285' ' ' GLU . 69.6 mtt180 -59.29 -48.38 81.84 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.226 179.217 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 11.0 tm0? -60.98 -50.16 74.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.683 -0.69 . . . . 10.0 110.584 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 290' ' ' LYS . . . . . 0.465 ' HG3' ' O ' ' A' ' 286' ' ' GLY . 44.8 mttp -61.87 -41.36 97.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.073 -0.512 . . . . 10.0 111.388 -179.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 291' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 291' ' ' LEU . 25.8 mt -66.71 -40.52 88.46 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.719 -0.219 . . . . 10.0 110.938 179.257 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -63.34 -45.4 91.41 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 110.142 -0.318 . . . . 10.0 110.142 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.31 -41.26 96.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.071 -0.513 . . . . 10.0 109.948 178.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 41.7 mt -67.43 -41.91 84.04 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.048 -0.524 . . . . 10.0 110.806 179.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -63.95 -37.84 88.88 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.374 -0.375 . . . . 10.0 110.719 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -66.34 -9.72 35.94 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.648 -0.705 . . . . 10.0 111.049 179.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . 0.512 ' HB3' HD12 ' A' ' 301' ' ' LEU . 23.2 mmtp -110.98 -39.01 4.92 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.001 178.294 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 53.8 mt -58.82 -28.02 65.62 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.159 -0.473 . . . . 10.0 111.961 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 299' ' ' SER . . . . . 0.82 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 11.5 m -84.11 -64.92 0.23 Allowed Pre-proline 0 CA--C 1.541 0.623 0 N-CA-C 112.288 0.477 . . . . 10.0 112.288 179.528 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 300' ' ' PRO . . . . . 0.82 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 48.4 Cg_exo -59.42 -48.12 14.55 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 122.485 2.123 . . . . 10.0 112.205 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 301' ' ' LEU . . . . . 0.687 ' HB3' ' HE3' ' D' ' 473' ' ' LYS . 94.6 mt -72.49 -30.31 64.42 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.648 -0.501 . . . . 10.0 109.648 179.212 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -66.19 -49.06 59.93 Favored Glycine 0 N--CA 1.444 -0.814 0 N-CA-C 110.514 -1.034 . . . . 10.0 110.514 178.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -62.73 -38.78 91.83 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 109.534 -0.543 . . . . 10.0 109.534 178.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -62.99 -41.68 99.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.436 -0.802 . . . . 10.0 109.884 178.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 305' ' ' MET . . . . . 0.444 ' SD ' HD13 ' D' ' 469' ' ' LEU . 6.4 tpt -67.39 -39.39 85.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.955 -0.566 . . . . 10.0 109.845 179.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 75.8 mtt180 -68.45 -38.36 81.06 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.532 -0.544 . . . . 10.0 109.532 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 307' ' ' ASP . . . . . 0.47 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 30.7 t0 -65.39 -42.11 92.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.626 -0.716 . . . . 10.0 109.562 178.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 308' ' ' ARG . . . . . 0.47 ' HG3' HD11 ' D' ' 469' ' ' LEU . 16.7 mmt180 -69.96 -31.48 69.22 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.463 -0.79 . . . . 10.0 109.8 178.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -63.61 -35.88 81.98 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.338 -0.616 . . . . 10.0 109.338 178.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 310' ' ' ARG . . . . . 0.47 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 67.1 mtt180 -60.16 -49.26 78.32 Favored 'General case' 0 C--O 1.223 -0.336 0 N-CA-C 108.756 -0.831 . . . . 10.0 108.756 178.287 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -64.87 -40.68 95.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.466 179.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -56.77 -54.13 49.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.808 -0.633 . . . . 10.0 109.941 179.373 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 52.0 t -72.82 -34.16 45.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.859 -0.609 . . . . 10.0 111.717 -179.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 314' ' ' ASP . . . . . 0.423 ' HB2' ' O ' ' A' ' 310' ' ' ARG . 4.5 t70 -64.36 -45.81 86.12 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 122.263 -0.273 . . . . 10.0 110.582 179.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -62.47 -37.06 84.47 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.019 -0.734 . . . . 10.0 109.019 178.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 26.0 mt -68.45 -42.69 78.47 Favored 'General case' 0 C--O 1.218 -0.598 0 CA-C-N 115.483 -0.78 . . . . 10.0 110.15 178.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 11.9 mtm105 -63.56 -41.32 98.41 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.991 0.424 . . . . 10.0 110.689 179.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 4.7 m -68.42 -18.66 64.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.478 0.656 . . . . 10.0 110.293 179.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -93.23 -40.53 10.4 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.554 -0.748 . . . . 10.0 109.746 178.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 75.9 mt -67.72 -33.66 75.33 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.818 -0.628 . . . . 10.0 111.478 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 321' ' ' ALA . . . . . 0.468 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -53.38 -59.25 9.79 Favored Pre-proline 0 CA--C 1.537 0.475 0 N-CA-C 112.025 0.38 . . . . 10.0 112.025 179.651 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 322' ' ' PRO . . . . . 0.468 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 54.3 Cg_endo -72.72 -33.72 7.85 Favored 'Trans proline' 0 C--N 1.353 0.814 0 C-N-CA 121.589 1.526 . . . . 10.0 111.806 178.589 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 7.7 m-30 -65.43 -39.39 92.04 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 112.03 0.381 . . . . 10.0 112.03 -179.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 324' ' ' SER . . . . . 0.625 ' HA ' HD12 ' A' ' 327' ' ' LEU . 50.0 p -65.9 -38.3 88.35 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.933 -0.395 . . . . 10.0 109.933 179.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 325' ' ' ASP . . . . . 0.855 ' HA ' ' HD2' ' A' ' 328' ' ' ARG . 5.8 t70 -67.62 -36.81 81.52 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.57 -0.53 . . . . 10.0 109.57 178.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 71.7 mt-10 -66.09 -34.37 77.91 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 108.507 -0.923 . . . . 10.0 108.507 177.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . 0.625 HD12 ' HA ' ' A' ' 324' ' ' SER . 15.6 mt -66.07 -37.58 86.15 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 108.793 -0.817 . . . . 10.0 108.793 177.624 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 328' ' ' ARG . . . . . 0.855 ' HD2' ' HA ' ' A' ' 325' ' ' ASP . 85.9 mtt180 -65.35 -44.67 86.94 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 108.404 -0.961 . . . . 10.0 108.404 178.172 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -62.63 -39.85 95.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.733 -0.667 . . . . 10.0 109.524 178.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 330' ' ' ARG . . . . . 0.656 HH21 ' HB3' ' D' ' 447' ' ' GLU . 27.0 mtt180 -61.91 -53.83 50.29 Favored 'General case' 0 C--O 1.223 -0.329 0 CA-C-N 115.75 -0.659 . . . . 10.0 109.705 178.562 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 64.4 mt -60.97 -37.92 84.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.936 -0.575 . . . . 10.0 111.242 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -63.4 -51.97 63.59 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.994 -0.373 . . . . 10.0 109.994 178.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -62.06 -44.98 95.52 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.58 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 334' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 334' ' ' ARG . 39.8 mtt180 -60.19 -48.78 80.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.007 -0.542 . . . . 10.0 111.034 179.221 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 335' ' ' LEU . . . . . 0.465 ' O ' ' HB2' ' A' ' 339' ' ' LYS . 49.0 mt -68.0 -27.75 66.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.35 -0.386 . . . . 10.0 111.322 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -69.16 -43.68 73.79 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.082 -0.711 . . . . 10.0 109.082 178.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -68.0 -48.55 65.46 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.586 -0.734 . . . . 10.0 109.615 178.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 75.0 mt -63.32 -23.03 67.24 Favored 'General case' 0 C--O 1.223 -0.307 0 CA-C-N 115.761 -0.654 . . . . 10.0 111.346 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 339' ' ' LYS . . . . . 0.465 ' HB2' ' O ' ' A' ' 335' ' ' LEU . 74.6 tttt -72.12 -47.05 54.04 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 110.017 -0.364 . . . . 10.0 110.017 179.148 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -71.83 -47.71 51.29 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 120.98 0.419 . . . . 10.0 110.177 179.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -62.25 -41.04 98.09 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.778 -0.646 . . . . 10.0 109.764 178.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -64.06 -43.07 97.82 Favored Glycine 0 N--CA 1.45 -0.391 0 N-CA-C 111.385 -0.686 . . . . 10.0 111.385 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -61.83 -43.25 99.48 Favored Glycine 0 C--N 1.33 0.207 0 N-CA-C 110.788 -0.925 . . . . 10.0 110.788 178.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -63.49 -45.18 91.88 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.527 -0.546 . . . . 10.0 109.527 178.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 28.0 mtm180 -64.01 -37.46 87.52 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 115.961 -0.563 . . . . 10.0 111.005 179.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 20.0 mt -61.84 -46.69 88.38 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.847 -0.427 . . . . 10.0 109.847 179.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.18 -41.8 97.45 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.59 -0.522 . . . . 10.0 109.59 178.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 348' ' ' GLU . . . . . 0.471 ' HB3' ' HE2' ' A' ' 352' ' ' LYS . 3.6 mt-10 -65.97 -40.89 91.67 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.687 -0.688 . . . . 10.0 110.628 178.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -61.63 -43.84 98.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.239 -0.437 . . . . 10.0 110.546 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 69.0 m-70 -68.31 -37.52 80.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 10.0 109.992 179.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -63.39 -44.26 95.23 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 109.527 -0.546 . . . . 10.0 109.527 178.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 352' ' ' LYS . . . . . 0.471 ' HE2' ' HB3' ' A' ' 348' ' ' GLU . 13.5 mttm -68.13 -40.65 82.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.541 -0.754 . . . . 10.0 110.093 179.185 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.52 -37.42 78.29 Favored 'General case' 0 C--O 1.225 -0.235 0 N-CA-C 109.67 -0.492 . . . . 10.0 109.67 178.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 83.1 m -64.98 -40.36 94.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.901 -0.59 . . . . 10.0 109.809 178.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -69.26 -35.73 76.39 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 116.262 -0.427 . . . . 10.0 110.188 178.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 356' ' ' HIS . . . . . 0.401 ' O ' ' HB2' ' A' ' 360' ' ' LEU . 12.3 m-70 -69.58 -35.88 75.76 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.05 -0.722 . . . . 10.0 109.05 178.398 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 23.0 mt -70.83 -41.13 71.93 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.973 -0.558 . . . . 10.0 111.879 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 4.1 p -64.84 -41.24 95.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.918 0.39 . . . . 10.0 110.815 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 359' ' ' THR . . . . . 0.467 HG21 ' HG3' ' D' ' 418' ' ' GLN . 3.0 p -74.19 -29.05 61.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.309 -0.405 . . . . 10.0 109.991 178.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 360' ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' A' ' 356' ' ' HIS . 27.4 tp -64.98 -31.18 72.3 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 115.429 -0.805 . . . . 10.0 109.266 178.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 4.9 m -60.13 -35.64 75.72 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.324 -0.398 . . . . 10.0 109.997 178.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 362' ' ' GLU . . . . . 0.449 ' HA ' ' HD2' ' A' ' 366' ' ' PRO . 42.2 mm-40 -66.53 -25.7 66.79 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.281 0.562 . . . . 10.0 110.14 178.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 363' ' ' LYS . . . . . 0.667 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 89.3 mttt -89.61 -32.05 17.28 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.872 -0.603 . . . . 10.0 110.252 179.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 364' ' ' ALA . . . . . 0.407 ' HA ' HD12 ' A' ' 368' ' ' LEU . . . -82.06 -28.11 32.59 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.886 0.698 . . . . 10.0 112.886 -178.628 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 365' ' ' LYS . . . . . 0.964 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 82.9 mttt -107.51 -75.19 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 N-CA-C 112.83 0.678 . . . . 10.0 112.83 -179.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 366' ' ' PRO . . . . . 0.964 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 50.7 Cg_exo -57.29 -56.78 1.6 Allowed 'Trans proline' 0 C--N 1.356 0.931 0 C-N-CA 122.141 1.894 . . . . 10.0 112.925 -179.516 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 367' ' ' ALA . . . . . 0.667 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -59.46 -48.57 81.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.608 -0.269 . . . . 10.0 111.705 -179.416 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 368' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 364' ' ' ALA . 1.7 mt -61.81 -42.26 98.8 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 111.78 0.289 . . . . 10.0 111.78 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -64.39 -43.85 93.18 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.902 -0.319 . . . . 10.0 110.402 179.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -61.21 -42.8 99.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.284 0.564 . . . . 10.0 109.947 178.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 72.7 mt -64.52 -44.38 91.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.6 -0.727 . . . . 10.0 110.361 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 -65.91 -44.58 84.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.29 -0.414 . . . . 10.0 111.01 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -64.21 -24.68 67.76 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.512 179.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -89.08 -32.49 10.62 Favored Glycine 0 N--CA 1.446 -0.678 0 N-CA-C 111.003 -0.839 . . . . 10.0 111.003 178.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 29.4 mt -65.83 -33.59 76.2 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 122.885 -0.185 . . . . 10.0 110.898 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 376' ' ' LEU . . . . . 0.403 ' HB2' ' CD ' ' A' ' 377' ' ' PRO . 72.0 mt -54.08 -62.42 3.9 Favored Pre-proline 0 CA--C 1.538 0.481 0 N-CA-C 112.274 0.472 . . . . 10.0 112.274 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 377' ' ' PRO . . . . . 0.403 ' CD ' ' HB2' ' A' ' 376' ' ' LEU . 24.4 Cg_endo -63.6 -33.12 68.49 Favored 'Trans proline' 0 C--N 1.355 0.888 0 C-N-CA 121.778 1.652 . . . . 10.0 111.962 179.44 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 41.1 t -65.23 -48.38 83.73 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 N-CA-C 109.872 -0.418 . . . . 10.0 109.872 179.058 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 379' ' ' LEU . . . . . 0.608 ' O ' ' HG3' ' A' ' 383' ' ' LYS . 35.0 mt -63.62 -36.88 85.29 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.545 -0.539 . . . . 10.0 109.545 178.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 380' ' ' GLU . . . . . 0.42 ' HA ' ' HD2' ' A' ' 383' ' ' LYS . 36.1 tt0 -63.7 -49.41 73.23 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.315 -0.402 . . . . 10.0 110.908 179.313 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 1.6 p -63.37 -33.9 76.55 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.231 0.538 . . . . 10.0 109.641 178.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -68.51 -36.63 79.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.564 -0.744 . . . . 10.0 109.693 178.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 383' ' ' LYS . . . . . 0.608 ' HG3' ' O ' ' A' ' 379' ' ' LEU . 84.8 mttt -58.51 -48.84 79.49 Favored 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 109.221 -0.659 . . . . 10.0 109.221 178.357 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 17.7 t -62.13 -44.63 99.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.814 -0.63 . . . . 10.0 109.598 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 36.2 m -61.38 -40.2 93.47 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.979 179.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 386' ' ' PHE . . . . . 0.411 ' O ' ' HG ' ' A' ' 390' ' ' LEU . 7.0 m-85 -68.44 -43.11 77.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.407 -0.36 . . . . 10.0 110.312 179.195 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 387' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 383' ' ' LYS . 86.1 mt -57.5 -47.22 82.53 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.521 179.216 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 388' ' ' SER . . . . . 0.451 ' O ' ' HG2' ' A' ' 392' ' ' GLU . 2.4 p -65.5 -38.29 89.3 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.422 -0.354 . . . . 10.0 110.478 179.402 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -61.76 -44.19 97.38 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.367 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 390' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 386' ' ' PHE . 74.0 mt -60.22 -46.4 89.9 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 115.88 -0.6 . . . . 10.0 109.957 179.211 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 391' ' ' GLU . . . . . 0.438 ' HG3' ' O ' ' A' ' 387' ' ' LEU . 44.2 mt-10 -59.66 -42.96 94.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.595 -0.729 . . . . 10.0 111.039 179.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 392' ' ' GLU . . . . . 0.451 ' HG2' ' O ' ' A' ' 388' ' ' SER . 54.6 mm-40 -57.56 -44.98 85.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.891 0.377 . . . . 10.0 110.964 179.491 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -65.35 -43.52 90.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.14 0.495 . . . . 10.0 110.562 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 20.4 m -67.05 -32.1 73.06 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.98 -0.554 . . . . 10.0 112.122 -179.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -79.76 -39.59 30.65 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.699 0.629 . . . . 10.0 112.699 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 396' ' ' LYS . . . . . 0.701 ' HE2' ' HA ' ' D' ' 587' ' ' ALA . 13.8 mptt -89.07 -29.52 19.36 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 114.129 1.159 . . . . 10.0 114.129 -177.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 32.2 mt -100.03 -14.37 18.67 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.849 0.685 . . . . 10.0 112.849 -178.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 58.1 t30 . . . . . 0 C--N 1.324 -0.508 0 CA-C-O 120.535 0.207 . . . . 10.0 111.145 -179.221 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' D' D ' 399' ' ' LEU . . . . . 0.453 HD13 ' HA ' ' D' ' 399' ' ' LEU . 1.5 mm? . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.948 0.404 . . . . 10.0 110.938 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 26.9 mtpt -107.65 14.39 25.7 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.084 -0.507 . . . . 10.0 109.959 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 80.6 mt -62.21 -41.95 98.85 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.506 -0.77 . . . . 10.0 110.464 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 84.5 mt -61.3 -39.77 91.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.808 -0.633 . . . . 10.0 111.152 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -63.23 -47.7 81.36 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.829 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 404' ' ' ASN . . . . . 0.489 ' O ' HG23 ' D' ' 408' ' ' VAL . 23.0 t-20 -68.1 -46.98 69.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.983 0.421 . . . . 10.0 110.834 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -38.82 81.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.785 -0.643 . . . . 10.0 111.636 -179.445 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -60.82 -46.41 90.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.396 -0.365 . . . . 10.0 110.761 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 2.5 m -63.42 -34.65 78.21 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-O 120.937 0.398 . . . . 10.0 110.522 179.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 408' ' ' VAL . . . . . 0.489 HG23 ' O ' ' D' ' 404' ' ' ASN . 93.6 t -67.24 -37.98 80.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 N-CA-C 108.196 -1.038 . . . . 10.0 108.196 178.061 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 55.9 m -60.71 -42.91 98.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.363 -0.835 . . . . 10.0 109.349 178.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.28 -41.53 89.13 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.783 -0.644 . . . . 10.0 110.061 178.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 411' ' ' THR . . . . . 0.448 HG23 ' HE2' ' A' ' 363' ' ' LYS . 41.7 m -63.51 -39.5 94.6 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.556 -0.747 . . . . 10.0 110.115 179.035 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 11.8 m-30 -64.2 -42.92 96.43 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 116.132 -0.486 . . . . 10.0 109.695 178.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 13.5 m -64.0 -40.43 96.34 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.577 -0.527 . . . . 10.0 109.577 178.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 25.0 mmtm -64.16 -30.74 71.79 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 116.07 -0.514 . . . . 10.0 109.893 178.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 43.1 mt -68.81 -37.58 79.33 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 108.822 -0.807 . . . . 10.0 108.822 177.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -70.19 -34.45 72.98 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 109.411 -0.588 . . . . 10.0 109.411 178.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -64.22 -25.89 68.27 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-N 115.334 -0.848 . . . . 10.0 109.272 178.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 418' ' ' GLN . . . . . 0.467 ' HG3' HG21 ' A' ' 359' ' ' THR . 42.0 mt-30 -85.02 -55.88 3.84 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 108.459 -0.941 . . . . 10.0 108.459 177.468 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 87.3 mt -45.05 -47.82 11.77 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.173 -0.921 . . . . 10.0 112.998 -179.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -53.24 -78.07 0.12 Allowed Glycine 0 CA--C 1.522 0.49 0 C-N-CA 121.172 -0.537 . . . . 10.0 112.96 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 421' ' ' PRO . . . . . 0.526 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 54.0 Cg_exo -54.93 -37.69 93.14 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.942 2.428 . . . . 10.0 112.769 179.578 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 422' ' ' VAL . . . . . 0.505 ' O ' ' HB2' ' D' ' 426' ' ' PHE . 22.1 t -62.35 -49.91 82.03 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.349 0 O-C-N 123.258 0.349 . . . . 10.0 111.656 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 30.5 p -64.68 -33.17 75.32 Favored 'General case' 0 C--O 1.223 -0.306 0 C-N-CA 120.537 -0.465 . . . . 10.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -60.63 -50.06 75.02 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.898 0.38 . . . . 10.0 110.395 179.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 425' ' ' GLU . . . . . 0.526 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 9.5 pt-20 -77.48 -32.14 54.11 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.294 -0.412 . . . . 10.0 110.52 179.604 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 426' ' ' PHE . . . . . 0.505 ' HB2' ' O ' ' D' ' 422' ' ' VAL . 5.8 t80 -66.05 -37.79 86.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.526 -0.306 . . . . 10.0 110.25 179.444 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 3.1 m0 -62.29 -42.91 99.76 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.153 -0.684 . . . . 10.0 109.153 178.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 428' ' ' ASP . . . . . 0.449 ' O ' ' HG3' ' D' ' 432' ' ' LYS . 15.2 t70 -67.63 -37.16 82.06 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.149 -0.686 . . . . 10.0 109.149 178.332 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -61.46 -44.11 97.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.647 -0.706 . . . . 10.0 109.139 177.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 59.9 mt -64.44 -34.8 79.04 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 115.474 -0.784 . . . . 10.0 109.184 178.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 431' ' ' GLU . . . . . 0.426 ' HA ' ' OG1' ' D' ' 434' ' ' THR . 51.9 mt-10 -68.7 -38.27 80.14 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 115.475 -0.784 . . . . 10.0 109.404 178.14 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 432' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' D' ' 428' ' ' ASP . 53.7 mttp -59.53 -43.75 93.39 Favored 'General case' 0 C--O 1.233 0.223 0 N-CA-C 108.29 -1.004 . . . . 10.0 108.29 177.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -63.2 -51.79 64.91 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.005 -0.998 . . . . 10.0 110.256 179.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 434' ' ' THR . . . . . 0.426 ' OG1' ' HA ' ' D' ' 431' ' ' GLU . 0.7 OUTLIER -60.04 -45.04 94.15 Favored 'General case' 0 C--O 1.221 -0.407 0 N-CA-C 111.764 0.283 . . . . 10.0 111.764 -179.601 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -61.15 -44.97 96.49 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.038 0.447 . . . . 10.0 110.163 178.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -64.39 -46.65 89.94 Favored Glycine 0 N--CA 1.448 -0.537 0 N-CA-C 110.726 -0.95 . . . . 10.0 110.726 178.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.03 -30.58 71.64 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 115.636 -0.282 . . . . 10.0 110.806 179.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 73.3 mtt180 -64.33 -39.2 93.43 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.73 -0.47 . . . . 10.0 109.73 178.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -68.72 -33.89 74.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.887 -0.597 . . . . 10.0 109.486 178.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -71.76 -44.44 64.04 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.46 -0.791 . . . . 10.0 109.33 178.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 93.5 mmm -61.57 -43.66 98.45 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.252 -0.885 . . . . 10.0 112.339 -179.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 3.7 p -62.09 -46.9 87.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.898 0.38 . . . . 10.0 110.357 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 443' ' ' LYS . . . . . 0.608 ' O ' ' HB2' ' D' ' 447' ' ' GLU . 29.5 mtpp -65.55 -33.32 75.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.149 0.5 . . . . 10.0 110.798 179.341 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -73.14 -55.84 5.92 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.728 -0.669 . . . . 10.0 110.58 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 95.9 mt -59.96 -46.63 88.79 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 113.03 0.752 . . . . 10.0 113.03 -178.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -62.25 -39.26 92.3 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.704 -0.398 . . . . 10.0 110.662 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 447' ' ' GLU . . . . . 0.656 ' HB3' HH21 ' A' ' 330' ' ' ARG . 2.9 tt0 -71.27 -34.51 70.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.917 -0.583 . . . . 10.0 109.989 178.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 2.4 t -60.55 -42.83 92.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.246 -0.433 . . . . 10.0 110.198 179.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 78.3 mttt -64.22 -33.04 74.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.238 0.542 . . . . 10.0 109.716 178.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -92.07 15.13 14.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.38 -0.827 . . . . 10.0 110.939 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 42.1 mttm -129.43 -51.12 1.18 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.41 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 87.0 t -61.33 -35.82 68.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.775 0.321 . . . . 10.0 110.77 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -63.76 -62.59 5.08 Favored Pre-proline 0 CA--C 1.538 0.515 0 CA-C-N 116.561 -0.29 . . . . 10.0 111.474 179.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_endo -62.64 -33.76 76.49 Favored 'Trans proline' 0 C--N 1.355 0.877 0 C-N-CA 122.197 1.931 . . . . 10.0 112.358 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -68.87 -46.27 68.85 Favored 'General case' 0 C--O 1.224 -0.288 0 C-N-CA 121.136 -0.226 . . . . 10.0 110.523 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 456' ' ' LEU . . . . . 0.467 HD23 ' HA ' ' D' ' 456' ' ' LEU . 11.0 mt -64.33 -36.36 83.86 Favored 'General case' 0 CA--C 1.515 -0.385 0 C-N-CA 120.708 -0.397 . . . . 10.0 110.117 179.175 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -63.02 -50.0 72.39 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.66 -0.496 . . . . 10.0 109.66 178.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 458' ' ' ASP . . . . . 0.49 ' HA ' ' HD2' ' D' ' 461' ' ' LYS . 27.1 t70 -65.18 -35.81 82.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.784 -0.644 . . . . 10.0 110.805 179.03 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 459' ' ' PHE . . . . . 0.474 ' HD2' ' HA ' ' D' ' 459' ' ' PHE . 0.1 OUTLIER -68.91 -43.25 75.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.082 -0.508 . . . . 10.0 109.875 179.122 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -65.7 -31.66 72.79 Favored 'General case' 0 CA--C 1.519 -0.224 0 N-CA-C 109.818 -0.438 . . . . 10.0 109.818 178.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 461' ' ' LYS . . . . . 0.491 ' O ' ' HG3' ' D' ' 465' ' ' GLU . 65.9 mttt -62.88 -44.02 97.22 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 108.564 -0.902 . . . . 10.0 108.564 177.556 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 13.4 mtmm -69.65 -37.27 76.67 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.376 -0.829 . . . . 10.0 109.821 178.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 38.5 m0 -63.44 -39.38 94.33 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 108.937 -0.764 . . . . 10.0 108.937 178.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -63.7 -40.78 97.63 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 108.918 -0.771 . . . . 10.0 108.918 178.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 465' ' ' GLU . . . . . 0.546 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 45.7 mt-10 -60.97 -53.93 51.26 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.273 -0.64 . . . . 10.0 109.273 178.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.04 -50.66 72.67 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.7 -0.682 . . . . 10.0 111.752 -179.482 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 70.2 mtm -61.24 -36.42 79.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.871 0.367 . . . . 10.0 111.103 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 468' ' ' GLU . . . . . 0.631 ' HG2' HE22 ' D' ' 472' ' ' GLN . 26.4 tt0 -69.4 -42.1 75.55 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.208 -0.664 . . . . 10.0 109.208 179.013 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 469' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' D' ' 465' ' ' GLU . 94.9 mt -63.42 -26.86 68.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.282 -0.872 . . . . 10.0 110.679 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 19.3 m-30 -68.32 -27.82 66.63 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.097 0.475 . . . . 10.0 109.95 179.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 471' ' ' ARG . . . . . 0.429 ' HG2' ' OE2' ' D' ' 475' ' ' GLU . 71.2 mtt85 -77.35 -22.61 51.54 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.578 -0.527 . . . . 10.0 109.578 178.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 472' ' ' GLN . . . . . 0.631 HE22 ' HG2' ' D' ' 468' ' ' GLU . 2.0 mt-30 -99.58 -5.59 28.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.783 -0.644 . . . . 10.0 110.969 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 473' ' ' LYS . . . . . 0.687 ' HE3' ' HB3' ' A' ' 301' ' ' LEU . 62.3 mttp -127.07 -76.17 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.321 -0.4 . . . . 10.0 111.98 -179.675 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 61.9 t -49.96 -52.99 12.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 N-CA-C 113.039 0.755 . . . . 10.0 113.039 -178.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 475' ' ' GLU . . . . . 0.429 ' OE2' ' HG2' ' D' ' 471' ' ' ARG . 41.1 mt-10 -58.14 -58.44 18.77 Favored Pre-proline 0 CA--C 1.537 0.471 0 N-CA-C 113.929 1.085 . . . . 10.0 113.929 -179.169 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -62.86 -34.78 70.89 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 121.968 1.779 . . . . 10.0 111.601 178.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 31.6 mt -67.95 -27.67 66.81 Favored 'General case' 0 C--O 1.225 -0.189 0 N-CA-C 109.853 -0.425 . . . . 10.0 109.853 178.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 478' ' ' ARG . . . . . 0.407 ' O ' ' HB2' ' D' ' 482' ' ' GLN . 67.5 mtt180 -71.11 -25.52 62.63 Favored 'General case' 0 CA--C 1.516 -0.347 0 N-CA-C 109.337 -0.616 . . . . 10.0 109.337 177.664 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -79.77 -36.65 36.83 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 107.594 -1.262 . . . . 10.0 107.594 177.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.53 -41.16 93.4 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 108.066 -1.087 . . . . 10.0 108.066 177.25 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 58.3 mt -73.53 -28.65 62.0 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 115.097 -0.956 . . . . 10.0 110.032 178.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 482' ' ' GLN . . . . . 0.407 ' HB2' ' O ' ' D' ' 478' ' ' ARG . 6.7 tp60 -63.75 -55.23 24.79 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 108.299 -1.0 . . . . 10.0 108.299 178.138 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 483' ' ' GLU . . . . . 0.497 ' OE2' ' HD2' ' D' ' 486' ' ' ARG . 1.2 tp10 -64.3 -39.38 93.8 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.76 -0.654 . . . . 10.0 109.574 178.686 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -61.3 -41.8 99.6 Favored Glycine 0 N--CA 1.447 -0.592 0 N-CA-C 111.319 -0.712 . . . . 10.0 111.319 178.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -68.18 -41.56 81.28 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 109.404 -0.591 . . . . 10.0 109.404 178.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 486' ' ' ARG . . . . . 0.497 ' HD2' ' OE2' ' D' ' 483' ' ' GLU . 60.9 mtt180 -60.7 -42.2 96.71 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.906 -0.588 . . . . 10.0 109.88 178.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 487' ' ' GLN . . . . . 0.615 ' O ' ' HG3' ' D' ' 491' ' ' GLU . 20.3 mm-40 -65.96 -46.44 78.11 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.509 178.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -62.75 -42.57 99.74 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.912 179.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 36.1 mt -63.97 -35.55 81.07 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.487 -0.56 . . . . 10.0 109.487 178.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 8.2 t-160 -68.85 -39.27 79.99 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 108.518 -0.919 . . . . 10.0 108.518 178.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 491' ' ' GLU . . . . . 0.615 ' HG3' ' O ' ' D' ' 487' ' ' GLN . 44.3 mt-10 -62.67 -39.34 93.61 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 108.627 -0.879 . . . . 10.0 108.627 177.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 96.4 mt -71.8 -41.82 67.82 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-N 115.587 -0.733 . . . . 10.0 111.322 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -56.58 -44.22 80.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.984 0.421 . . . . 10.0 110.64 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -74.4 14.0 0.51 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.68 -0.691 . . . . 10.0 111.833 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 495' ' ' LYS . . . . . 0.799 ' HE3' HD22 ' A' ' 279' ' ' LEU . 54.5 mttp -131.74 -40.58 1.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.885 -0.598 . . . . 10.0 109.578 178.647 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 496' ' ' LEU . . . . . 0.582 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 60.6 mt -70.31 -28.35 65.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.814 -0.63 . . . . 10.0 111.669 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 497' ' ' SER . . . . . 0.45 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 22.1 m -79.2 -62.89 0.41 Allowed Pre-proline 0 CA--C 1.536 0.408 0 C-N-CA 120.641 -0.423 . . . . 10.0 111.681 178.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 498' ' ' PRO . . . . . 0.45 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 22.8 Cg_endo -62.13 -60.68 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 C-N-CA 122.032 1.821 . . . . 10.0 112.311 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 499' ' ' LEU . . . . . 0.6 HD11 ' HG2' ' A' ' 275' ' ' LYS . 5.6 mp -65.52 -26.45 67.9 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 116.751 -0.204 . . . . 10.0 110.505 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 500' ' ' GLY . . . . . 0.582 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -64.39 -48.21 76.39 Favored Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 110.971 -0.852 . . . . 10.0 110.971 178.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -70.61 -29.88 66.39 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 109.138 -0.69 . . . . 10.0 109.138 178.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 502' ' ' GLU . . . . . 0.555 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 28.5 tt0 -66.75 -45.42 78.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.53 -0.759 . . . . 10.0 109.286 178.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 81.4 mmm -62.11 -37.94 87.03 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.16 0.505 . . . . 10.0 109.832 178.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 504' ' ' ARG . . . . . 0.477 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 87.9 mtt180 -67.08 -41.87 85.62 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.755 -0.657 . . . . 10.0 109.55 178.609 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 505' ' ' ASP . . . . . 0.462 ' HA ' ' HD2' ' D' ' 508' ' ' ARG . 5.4 t0 -64.58 -39.82 94.42 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.544 -0.753 . . . . 10.0 109.582 179.263 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 506' ' ' ARG . . . . . 0.555 ' HG3' ' O ' ' D' ' 502' ' ' GLU . 84.3 mtt180 -62.4 -45.39 93.33 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 108.016 -1.105 . . . . 10.0 108.016 177.52 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -59.61 -39.94 85.9 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-N 115.371 -0.831 . . . . 10.0 109.869 179.021 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 508' ' ' ARG . . . . . 0.477 ' HG3' ' O ' ' D' ' 504' ' ' ARG . 73.6 mtt180 -58.23 -46.87 85.12 Favored 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 109.435 -0.58 . . . . 10.0 109.435 178.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 509' ' ' ALA . . . . . 0.631 ' HB1' ' HE3' ' A' ' 264' ' ' LYS . . . -65.15 -40.99 95.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.591 -0.732 . . . . 10.0 110.234 179.327 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 510' ' ' HIS . . . . . 0.49 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 33.7 m-70 -61.2 -51.0 70.85 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.066 -0.516 . . . . 10.0 110.128 179.176 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 511' ' ' VAL . . . . . 0.447 ' O ' ' HG3' ' D' ' 515' ' ' ARG . 60.7 t -65.06 -37.98 81.61 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.122 0 N-CA-C 110.029 -0.36 . . . . 10.0 110.029 179.173 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -57.99 -44.11 86.99 Favored 'General case' 0 CA--C 1.52 -0.188 0 N-CA-C 108.966 -0.754 . . . . 10.0 108.966 178.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -67.83 -44.24 77.67 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.557 -0.747 . . . . 10.0 109.308 178.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 514' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' D' ' 510' ' ' HIS . 97.7 mt -56.79 -37.9 71.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.101 179.374 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 515' ' ' ARG . . . . . 0.458 ' O ' ' HB3' ' D' ' 519' ' ' ALA . 64.1 mtt180 -65.81 -30.27 70.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.909 0.385 . . . . 10.0 110.853 179.544 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.18 0.59 46.16 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 116.092 -0.504 . . . . 10.0 111.229 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 517' ' ' HIS . . . . . 0.412 ' O ' ' HB2' ' D' ' 521' ' ' TYR . 23.3 m170 -111.45 -54.93 2.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.129 0.49 . . . . 10.0 110.952 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 56.2 mt -75.46 -52.51 10.54 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.845 -0.616 . . . . 10.0 112.144 -178.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 519' ' ' ALA . . . . . 0.618 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -52.75 -55.88 28.58 Favored Pre-proline 0 N--CA 1.468 0.428 0 N-CA-C 113.025 0.75 . . . . 10.0 113.025 -178.649 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 520' ' ' PRO . . . . . 0.618 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 47.2 Cg_exo -60.73 -41.33 47.41 Favored 'Trans proline' 0 C--N 1.354 0.85 0 C-N-CA 121.793 1.662 . . . . 10.0 111.388 179.113 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 521' ' ' TYR . . . . . 0.412 ' HB2' ' O ' ' D' ' 517' ' ' HIS . 5.2 t80 -65.65 -31.47 72.51 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.811 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 522' ' ' SER . . . . . 0.482 ' O ' ' HG3' ' D' ' 526' ' ' ARG . 74.7 m -63.47 -35.48 80.58 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.657 -0.497 . . . . 10.0 109.657 178.587 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 523' ' ' ASP . . . . . 0.71 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 6.6 t0 -67.1 -39.84 86.78 Favored 'General case' 0 C--O 1.231 0.092 0 N-CA-C 109.03 -0.73 . . . . 10.0 109.03 178.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.43 -39.32 88.87 Favored 'General case' 0 C--O 1.232 0.181 0 N-CA-C 108.96 -0.756 . . . . 10.0 108.96 177.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 62.7 mt -64.59 -34.38 78.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.475 -0.784 . . . . 10.0 109.984 178.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 526' ' ' ARG . . . . . 0.71 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 91.6 mtt180 -62.59 -43.2 99.39 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 108.97 -0.752 . . . . 10.0 108.97 178.445 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -63.2 -41.7 99.21 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.455 -0.793 . . . . 10.0 109.91 179.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 528' ' ' ARG . . . . . 0.69 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 47.9 mtt180 -67.54 -40.2 85.01 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.771 -0.65 . . . . 10.0 109.782 179.351 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 20.3 mt -64.33 -39.43 93.89 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.65 -0.5 . . . . 10.0 109.65 178.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -61.87 -40.14 94.36 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.138 179.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -74.42 -41.06 61.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.238 179.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 532' ' ' ARG . . . . . 0.545 ' O ' ' HG ' ' D' ' 536' ' ' LEU . 10.8 ttm180 -63.57 -51.0 67.26 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.325 -0.62 . . . . 10.0 109.325 179.288 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 71.0 mt -64.41 -28.54 69.75 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.057 -0.52 . . . . 10.0 110.21 179.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -62.95 -47.72 81.97 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 108.889 -0.782 . . . . 10.0 108.889 178.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -64.21 -37.6 88.05 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 109.207 -0.664 . . . . 10.0 109.207 179.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 536' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' D' ' 532' ' ' ARG . 85.4 mt -69.66 -24.41 63.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.803 -0.635 . . . . 10.0 111.26 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 38.6 mtmt -86.84 -39.96 15.36 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.029 0.443 . . . . 10.0 110.015 178.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -67.21 -56.99 7.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.778 -0.646 . . . . 10.0 109.376 178.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 539' ' ' ASN . . . . . 0.502 ' OD1' ' HE3' ' A' ' 234' ' ' LYS . 74.3 m-20 -71.57 -23.48 61.75 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.699 -0.682 . . . . 10.0 109.612 179.683 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 540' ' ' GLY . . . . . 0.626 ' O ' ' HG ' ' D' ' 544' ' ' LEU . . . -71.49 -43.61 52.89 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 110.021 -1.232 . . . . 10.0 110.021 178.229 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -64.18 -38.58 96.13 Favored Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 109.771 -1.332 . . . . 10.0 109.771 178.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -62.2 -48.26 80.79 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 108.225 -1.028 . . . . 10.0 108.225 177.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 28.3 mtt85 -59.68 -32.7 70.73 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.775 -0.648 . . . . 10.0 111.054 179.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 544' ' ' LEU . . . . . 0.626 ' HG ' ' O ' ' D' ' 540' ' ' GLY . 81.5 mt -64.0 -47.61 79.64 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.159 -0.682 . . . . 10.0 109.159 178.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -65.56 -42.59 91.68 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 115.898 -0.592 . . . . 10.0 109.638 178.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 546' ' ' GLU . . . . . 0.547 ' O ' ' HD2' ' D' ' 550' ' ' LYS . 54.3 mt-10 -61.77 -51.69 67.29 Favored 'General case' 0 C--O 1.22 -0.461 0 CA-C-N 115.78 -0.645 . . . . 10.0 110.361 179.301 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -59.28 -39.1 81.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.36 -0.382 . . . . 10.0 110.753 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 3.5 m170 -67.85 -44.68 76.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.889 0.376 . . . . 10.0 110.3 179.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -66.28 -39.64 89.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.869 -0.605 . . . . 10.0 110.281 179.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 550' ' ' LYS . . . . . 0.547 ' HD2' ' O ' ' D' ' 546' ' ' GLU . 0.0 OUTLIER -70.66 -30.81 67.51 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.044 179.009 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -71.85 -43.93 64.69 Favored 'General case' 0 C--O 1.236 0.368 0 O-C-N 123.281 0.363 . . . . 10.0 110.233 179.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.03 -49.63 73.84 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 109.215 -0.661 . . . . 10.0 109.215 178.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -60.72 -38.47 85.18 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.694 -0.685 . . . . 10.0 110.116 178.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 554' ' ' HIS . . . . . 0.544 ' HB2' ' O ' ' D' ' 550' ' ' LYS . 41.4 t60 -62.37 -42.2 99.22 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.014 -0.539 . . . . 10.0 109.597 178.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 36.0 tp -64.12 -33.81 76.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.922 -0.581 . . . . 10.0 109.86 179.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 9.7 m -62.18 -48.94 77.81 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 109.323 -0.621 . . . . 10.0 109.323 178.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 557' ' ' THR . . . . . 0.598 HG22 ' HD2' ' A' ' 216' ' ' LYS . 0.5 OUTLIER -67.94 -36.27 79.82 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.967 -0.56 . . . . 10.0 110.546 179.358 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 25.7 mt -62.26 -55.38 28.97 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.669 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 12.3 p -65.34 -33.65 76.47 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 120.663 0.268 . . . . 10.0 111.427 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -58.88 -36.18 74.21 Favored 'General case' 0 N--CA 1.46 0.07 0 CA-C-N 115.868 -0.605 . . . . 10.0 110.86 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 10.4 mptt -99.5 -32.35 11.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.099 -0.5 . . . . 10.0 112.317 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -58.64 -48.2 81.85 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.483 0.549 . . . . 10.0 112.483 -179.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -55.81 -59.9 10.21 Favored Pre-proline 0 CA--C 1.534 0.363 0 N-CA-C 112.407 0.521 . . . . 10.0 112.407 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -64.34 -33.92 56.98 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 122.042 1.828 . . . . 10.0 112.326 179.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -65.41 -49.05 70.69 Favored 'General case' 0 CA--C 1.52 -0.178 0 N-CA-C 110.441 -0.207 . . . . 10.0 110.441 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 37.8 mt -62.63 -40.33 96.67 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.759 -0.46 . . . . 10.0 109.759 179.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -63.84 -49.72 71.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.035 178.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.87 -38.66 89.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.657 179.294 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 21.8 mt -65.89 -46.13 79.46 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 116.176 -0.466 . . . . 10.0 110.124 178.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 570' ' ' ARG . . . . . 0.454 ' O ' ' HG ' ' D' ' 574' ' ' LEU . 68.0 mtt180 -63.26 -46.24 87.79 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 110.294 -0.261 . . . . 10.0 110.294 179.029 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -67.68 -19.85 65.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 10.0 111.389 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -89.96 -40.9 5.75 Favored Glycine 0 N--CA 1.446 -0.654 0 N-CA-C 110.492 -1.043 . . . . 10.0 110.492 178.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 573' ' ' LEU . . . . . 0.74 ' HA ' HG12 ' D' ' 576' ' ' VAL . 79.1 mt -68.86 -35.22 76.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.691 -0.255 . . . . 10.0 111.621 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 574' ' ' LEU . . . . . 0.605 ' O ' ' HG2' ' D' ' 578' ' ' GLU . 67.7 mt -50.71 -63.47 1.86 Allowed Pre-proline 0 CA--C 1.536 0.417 0 N-CA-C 111.885 0.328 . . . . 10.0 111.885 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 575' ' ' PRO . . . . . 0.455 ' HD3' ' HB2' ' D' ' 574' ' ' LEU . 55.2 Cg_endo -71.56 -35.51 7.89 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 121.8 1.667 . . . . 10.0 112.46 179.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 576' ' ' VAL . . . . . 0.74 HG12 ' HA ' ' D' ' 573' ' ' LEU . 0.3 OUTLIER -63.16 -39.94 87.13 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.133 0 C-N-CA 120.95 -0.3 . . . . 10.0 111.535 -179.455 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 34.3 mt -70.21 -33.09 71.27 Favored 'General case' 0 CA--C 1.516 -0.336 0 N-CA-C 109.705 -0.48 . . . . 10.0 109.705 178.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 578' ' ' GLU . . . . . 0.605 ' HG2' ' O ' ' D' ' 574' ' ' LEU . 30.7 mm-40 -65.72 -44.51 85.82 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.983 -0.747 . . . . 10.0 108.983 178.016 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 15.5 m -65.43 -39.39 92.04 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 115.511 -0.768 . . . . 10.0 108.974 178.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -62.27 -39.9 94.45 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.073 -0.512 . . . . 10.0 109.861 178.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -59.26 -40.23 85.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.934 -0.576 . . . . 10.0 109.841 178.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 582' ' ' VAL . . . . . 0.401 HG23 ' O ' ' D' ' 578' ' ' GLU . 65.0 t -62.77 -46.58 95.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.376 179.309 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.06 -37.6 86.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.362 -0.381 . . . . 10.0 111.078 179.492 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -68.06 -41.46 81.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.292 -0.413 . . . . 10.0 110.637 179.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 36.8 mt -62.14 -53.66 52.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.819 179.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 3.8 p -58.68 -36.06 73.61 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.009 0.433 . . . . 10.0 110.598 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 587' ' ' ALA . . . . . 0.701 ' HA ' ' HE2' ' A' ' 396' ' ' LYS . . . -66.8 -51.87 50.64 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 116.171 -0.468 . . . . 10.0 110.525 179.25 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 84.8 mt -61.02 -41.46 96.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.421 -0.354 . . . . 10.0 111.061 -179.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -60.62 -48.46 81.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 10.0 111.301 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -73.48 -31.46 63.76 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.704 0.261 . . . . 10.0 111.704 -179.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -61.02 -41.7 97.06 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.29 -0.414 . . . . 10.0 111.057 179.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.93 -32.73 72.56 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 121.039 -0.264 . . . . 10.0 111.179 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -72.69 -41.86 64.87 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.964 0.411 . . . . 10.0 110.422 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 594' ' ' LYS . . . . . 0.419 ' HE2' ' HB2' ' A' ' 388' ' ' SER . 7.9 mptt -72.37 -20.09 61.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.877 179.578 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 97.4 mt -108.98 31.39 5.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.959 -0.564 . . . . 10.0 109.962 179.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 . . . . . 0 C--N 1.326 -0.426 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.837 179.506 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.911 0.386 . . . . 10.0 110.634 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' THR . . . . . 0.435 ' HB ' ' CE2' ' B' ' 4' ' ' TYR . 0.0 OUTLIER -71.14 130.34 41.23 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.79 -179.883 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -97.61 134.41 40.86 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.306 -0.406 . . . . 10.0 111.157 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' TYR . . . . . 0.435 ' CE2' ' HB ' ' B' ' 2' ' ' THR . 79.5 m-85 -128.31 118.55 23.44 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.019 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.577 ' HA ' ' HB3' ' B' ' 54' ' ' ASP . 63.2 mttm -88.64 115.72 26.37 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.134 0.493 . . . . 10.0 110.243 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 14.4 mt -112.25 135.14 53.29 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.632 -0.713 . . . . 10.0 110.624 -178.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 57.2 t -118.74 125.14 74.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.282 179.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.459 HG12 ' HD2' ' B' ' 16' ' ' LYS . 6.5 t -92.99 119.4 40.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 109.52 -0.548 . . . . 10.0 109.52 179.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 11.7 m -121.43 154.09 25.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.442 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 153.53 174.72 24.09 Favored Glycine 0 N--CA 1.445 -0.763 0 N-CA-C 111.081 -0.808 . . . . 10.0 111.081 -179.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.44 -172.68 1.22 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.254 0.55 . . . . 10.0 111.766 -179.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -90.89 144.25 25.88 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.682 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 76.18 8.1 85.04 Favored Glycine 0 C--N 1.322 -0.244 0 C-N-CA 120.974 -0.631 . . . . 10.0 113.947 178.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.485 HG12 ' HB2' ' B' ' 83' ' ' ALA . 26.8 m -79.85 -29.75 13.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 117.069 0.435 . . . . 10.0 111.864 -179.611 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 111.13 26.91 4.44 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.608 -0.806 . . . . 10.0 113.578 179.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . 0.459 ' HD2' HG12 ' B' ' 8' ' ' VAL . 27.1 mtmm -62.96 -47.66 82.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.36 0.6 . . . . 10.0 110.771 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 3.5 m -73.59 -35.34 65.4 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.522 -0.763 . . . . 10.0 111.081 -178.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.82 -45.54 93.39 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.398 179.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 68.8 mt -61.94 -44.71 96.2 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 120.977 0.418 . . . . 10.0 110.879 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 16.8 m -64.84 -49.41 70.7 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.704 -0.68 . . . . 10.0 112.17 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 62.0 mt -58.17 -38.11 66.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-O 120.925 0.393 . . . . 10.0 111.321 -179.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' GLN . . . . . 0.535 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 11.1 mm-40 -62.62 -31.2 72.01 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.763 0.653 . . . . 10.0 112.763 -179.556 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 38.3 tp -92.17 -32.45 15.1 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.081 0.467 . . . . 10.0 111.611 -179.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.454 HD11 HD12 ' B' ' 55' ' ' ILE . 49.9 mm -81.2 -66.66 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.896 -179.529 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -85.17 -21.18 29.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.309 -0.405 . . . . 10.0 111.863 -177.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . 0.535 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 31.4 m-80 67.0 70.44 0.38 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 113.708 1.003 . . . . 10.0 113.708 178.196 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 4.9 p80 -177.42 155.0 1.05 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.768 178.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -97.29 130.0 44.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.053 0.454 . . . . 10.0 111.345 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 3.3 m -99.93 119.54 48.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.667 -0.697 . . . . 10.0 110.325 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -90.08 -26.02 20.47 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.446 0.641 . . . . 10.0 109.391 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.445 ' H ' ' HG2' ' B' ' 31' ' ' GLU . 0.5 OUTLIER -69.29 130.9 43.89 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.368 -0.833 . . . . 10.0 110.448 -179.765 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -88.07 108.58 19.31 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.944 0.402 . . . . 10.0 110.486 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -122.22 107.96 34.5 Favored Pre-proline 0 C--N 1.319 -0.756 0 CA-C-N 115.816 -0.629 . . . . 10.0 110.071 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo -68.24 86.03 0.42 Allowed 'Trans proline' 0 C--O 1.233 0.253 0 C-N-CA 122.742 2.295 . . . . 10.0 110.902 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 10.7 p -68.9 134.6 49.82 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.16 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 50.5 mm -78.61 -57.49 5.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 O-C-N 123.435 0.46 . . . . 10.0 110.334 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -156.51 101.38 2.01 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.062 -0.718 . . . . 10.0 109.062 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.84 122.65 48.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.657 -0.247 . . . . 10.0 111.219 -178.524 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 14.7 p -105.15 144.6 31.71 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.725 0.298 . . . . 10.0 110.851 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -137.65 140.44 40.85 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.461 -0.336 . . . . 10.0 110.267 -179.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.502 ' HD3' ' HA ' ' B' ' 54' ' ' ASP . 0.2 OUTLIER -123.73 125.24 44.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.766 0.317 . . . . 10.0 110.565 -179.878 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 64.4 tttt -145.88 142.46 28.8 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.466 -0.334 . . . . 10.0 110.822 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -105.56 116.19 31.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.374 -0.375 . . . . 10.0 110.664 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 11.8 m -127.47 167.22 22.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.07 -0.514 . . . . 10.0 110.728 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 42.4 t -104.87 106.07 19.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 109.858 -0.423 . . . . 10.0 109.858 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 56.7 mt -112.64 122.82 67.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.717 -179.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . 0.851 ' HB2' HH12 ' B' ' 164' ' ' ARG . 27.4 m-20 63.16 22.53 13.44 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.59 -0.732 . . . . 10.0 111.359 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.2 8.39 68.73 Favored Glycine 0 CA--C 1.52 0.347 0 C-N-CA 120.968 -0.634 . . . . 10.0 112.599 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.403 ' HB3' ' NH2' ' B' ' 164' ' ' ARG . 14.3 tt0 -119.21 130.82 55.68 Favored 'General case' 0 C--N 1.322 -0.595 0 O-C-N 122.839 -0.213 . . . . 10.0 110.686 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 30.0 m -75.4 117.74 17.52 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.649 -0.871 . . . . 10.0 108.649 178.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' CYS . . . . . 0.403 ' HB3' ' CD2' ' B' ' 4' ' ' TYR . 6.7 m -119.86 144.54 47.32 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.234 0.54 . . . . 10.0 112.456 -178.426 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 58.8 tp -99.42 108.2 20.62 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 107.572 -1.27 . . . . 10.0 107.572 177.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . 0.406 ' O ' ' HA ' ' B' ' 41' ' ' ARG . 36.8 mt -86.72 121.31 29.04 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 113.013 0.746 . . . . 10.0 113.013 -178.3 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . 0.577 ' HB3' ' HA ' ' B' ' 5' ' ' LYS . 15.3 t70 -105.34 89.91 3.26 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 107.277 -1.379 . . . . 10.0 107.277 177.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' ILE . . . . . 0.454 HD12 HD11 ' B' ' 24' ' ' ILE . 13.8 mt -92.37 142.62 12.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 112.159 0.429 . . . . 10.0 112.159 -177.257 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 35.3 tp -133.59 106.84 7.63 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.079 -0.509 . . . . 10.0 110.678 179.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -86.44 106.04 17.18 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.519 -0.548 . . . . 10.0 109.519 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 70.5 p -84.21 174.43 10.21 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.074 -0.512 . . . . 10.0 111.377 -178.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -97.38 134.72 40.27 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.052 0.454 . . . . 10.0 110.463 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -100.34 28.9 13.63 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.489 -0.862 . . . . 10.0 112.829 -179.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -89.12 1.65 55.29 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.424 0.154 . . . . 10.0 111.16 -179.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 68.28 -172.73 0.19 Allowed 'General case' 0 N--CA 1.466 0.351 0 O-C-N 123.818 0.699 . . . . 10.0 111.131 179.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 70.64 23.63 4.6 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 122.961 0.505 . . . . 10.0 111.237 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' TYR . . . . . 0.517 ' O ' ' HB2' ' B' ' 68' ' ' ARG . 58.2 m-85 -115.56 31.9 6.41 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.667 -0.697 . . . . 10.0 111.075 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 31.6 m -54.81 -33.82 61.98 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 112.997 0.74 . . . . 10.0 112.997 -179.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.46 -48.07 8.74 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 121.077 -0.249 . . . . 10.0 111.602 -179.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 11.4 mtp -65.71 -28.66 69.22 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 112.811 0.671 . . . . 10.0 112.811 -178.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' ARG . . . . . 0.654 ' HB3' HE22 ' B' ' 99' ' ' GLN . 5.9 ttp180 -60.93 -33.25 72.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.066 0.46 . . . . 10.0 111.004 -179.642 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -64.12 -26.99 68.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.309 -0.86 . . . . 10.0 111.763 -179.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -70.49 -65.5 0.72 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.753 0.649 . . . . 10.0 112.753 -179.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' TYR . . . . . 0.642 ' CZ ' ' HA ' ' B' ' 68' ' ' ARG . 20.3 p90 -66.99 -19.5 65.73 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 113.749 1.018 . . . . 10.0 113.749 -178.358 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . 0.426 ' HE3' ' HG2' ' B' ' 68' ' ' ARG . 25.0 mtt -66.51 -29.66 69.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.352 0.596 . . . . 10.0 110.911 179.417 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . 0.721 ' HG3' HG12 ' B' ' 103' ' ' VAL . 16.8 mtm180 -87.1 -32.6 19.84 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.939 0.4 . . . . 10.0 110.975 179.516 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 1.5 m -71.79 -44.51 63.86 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.893 -0.594 . . . . 10.0 112.018 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -75.73 151.84 41.74 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.715 -0.755 . . . . 10.0 113.181 -178.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -105.31 -53.33 2.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.407 0.622 . . . . 10.0 109.583 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -98.0 125.12 8.41 Favored Glycine 0 N--CA 1.447 -0.632 0 CA-C-N 115.584 -0.735 . . . . 10.0 111.866 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . 0.729 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 98.0 m-85 -109.13 114.38 28.05 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.185 0.517 . . . . 10.0 111.308 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.512 ' HB2' HD22 ' B' ' 159' ' ' LEU . 17.8 tp -92.31 106.9 18.81 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.538 -0.755 . . . . 10.0 109.656 179.601 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . 0.764 ' HB3' HD12 ' B' ' 93' ' ' ILE . 52.5 m -85.33 98.46 10.55 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.454 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . 0.42 ' HA ' ' O ' ' B' ' 114' ' ' VAL . 39.7 t -99.26 123.28 51.85 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.158 -179.611 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -126.82 160.69 30.16 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.807 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.676 ' HB3' ' HB3' ' B' ' 86' ' ' ASN . . . -94.71 124.04 38.51 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.816 -0.629 . . . . 10.0 109.526 179.685 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . 0.612 HD13 ' HA ' ' B' ' 118' ' ' CYS . 19.6 pt -66.25 -16.43 20.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.712 0.291 . . . . 10.0 111.688 -179.452 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 18.2 p-10 -101.08 4.93 42.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.177 0.513 . . . . 10.0 110.764 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.676 ' HB3' ' HB3' ' B' ' 83' ' ' ALA . 42.4 t30 -134.54 91.73 2.82 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.959 -0.564 . . . . 10.0 109.88 179.456 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . 0.463 ' O ' ' HG3' ' B' ' 91' ' ' GLU . 0.3 OUTLIER -57.69 -30.05 65.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.833 -0.621 . . . . 10.0 111.913 -178.736 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 24.0 tptp -58.93 -43.63 91.2 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.469 -0.332 . . . . 10.0 111.055 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 90.1 p -66.59 -23.4 66.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.085 0.469 . . . . 10.0 110.743 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -79.64 -37.04 36.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.834 -0.621 . . . . 10.0 109.467 178.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . 0.463 ' HG3' ' O ' ' B' ' 87' ' ' THR . 48.4 mt-10 -70.6 -35.15 72.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.799 -0.637 . . . . 10.0 109.656 179.051 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 92' ' ' ASP . . . . . 0.489 ' HA ' ' HD2' ' B' ' 95' ' ' HIS . 6.4 m-20 -65.33 -19.51 65.99 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.684 -0.689 . . . . 10.0 111.19 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 93' ' ' ILE . . . . . 0.764 HD12 ' HB3' ' B' ' 80' ' ' CYS . 33.3 mm -60.27 -37.33 73.39 Favored 'Isoleucine or valine' 0 C--O 1.236 0.373 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.119 179.459 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 79.9 t60 -67.65 -43.17 80.91 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 109.609 -0.515 . . . . 10.0 109.609 178.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 95' ' ' HIS . . . . . 0.489 ' HD2' ' HA ' ' B' ' 92' ' ' ASP . 90.2 m-70 -59.93 -45.05 93.84 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.54 -0.754 . . . . 10.0 109.888 179.578 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 96' ' ' TYR . . . . . 0.433 ' O ' HG13 ' B' ' 100' ' ' ILE . 8.1 m-85 -57.6 -50.78 72.01 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.76 -0.655 . . . . 10.0 110.529 179.376 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 55.7 ttt-85 -59.34 -43.21 92.79 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.96 -0.564 . . . . 10.0 111.553 -179.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -60.0 -34.87 73.92 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.012 0.375 . . . . 10.0 112.012 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 99' ' ' GLN . . . . . 0.654 HE22 ' HB3' ' B' ' 68' ' ' ARG . 26.8 tt0 -77.94 -40.78 38.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.556 0.217 . . . . 10.0 110.969 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . 0.433 HG13 ' O ' ' B' ' 96' ' ' TYR . 96.6 mt -55.2 -45.68 77.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 CA-C-O 121.098 0.475 . . . . 10.0 110.759 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 101' ' ' LYS . . . . . 0.423 ' HE3' ' HB2' ' B' ' 101' ' ' LYS . 38.0 mtmt -63.58 -26.65 68.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.746 -0.661 . . . . 10.0 112.192 -179.613 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 27.8 ttm180 -81.86 -43.16 18.6 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.045 0.45 . . . . 10.0 110.62 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 103' ' ' VAL . . . . . 0.721 HG12 ' HG3' ' B' ' 73' ' ' ARG . 60.8 t -67.57 -41.69 86.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.005 -0.543 . . . . 10.0 111.791 -179.193 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -92.0 -6.82 50.47 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.741 0.305 . . . . 10.0 111.31 -179.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 27.0 t0 51.65 60.67 3.68 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.752 -0.658 . . . . 10.0 111.581 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 5.9 t -178.48 145.19 0.32 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.465 -0.789 . . . . 10.0 109.626 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -89.79 -21.47 22.61 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.337 -0.616 . . . . 10.0 109.337 179.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.32 88.81 7.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.615 -0.721 . . . . 10.0 110.697 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 65.3 t -132.23 128.81 21.42 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 115.96 -0.564 . . . . 10.0 109.725 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -56.8 104.87 0.15 Allowed 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.861 2.374 . . . . 10.0 111.786 179.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 111' ' ' MET . . . . . 0.729 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 59.4 mtm -135.09 149.3 50.04 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.768 -179.188 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . 0.451 HG13 ' HG2' ' B' ' 140' ' ' PRO . 88.4 t -136.63 135.14 49.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 109.088 -0.708 . . . . 10.0 109.088 179.555 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . 0.433 ' O ' ' HA ' ' B' ' 141' ' ' PHE . 24.8 tp -95.0 123.92 38.75 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.574 -0.528 . . . . 10.0 109.574 179.204 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 114' ' ' VAL . . . . . 0.436 HG22 ' HB ' ' B' ' 142' ' ' ILE . 37.3 t -133.46 131.84 57.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.896 0.379 . . . . 10.0 111.887 -178.707 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -104.25 136.5 13.06 Favored Glycine 0 N--CA 1.449 -0.464 0 N-CA-C 110.038 -1.225 . . . . 10.0 110.038 178.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -108.22 159.93 16.23 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 117.093 0.447 . . . . 10.0 111.458 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . 0.79 ' HB3' HD12 ' B' ' 120' ' ' LEU . 72.4 mttt 64.75 33.63 10.18 Favored 'General case' 0 N--CA 1.466 0.373 0 O-C-N 123.726 0.641 . . . . 10.0 111.379 179.516 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 118' ' ' CYS . . . . . 0.612 ' HA ' HD13 ' B' ' 84' ' ' ILE . 74.4 m -67.56 -11.95 59.24 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.713 0.634 . . . . 10.0 112.713 -179.641 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -86.93 -11.2 51.33 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.765 0.317 . . . . 10.0 110.464 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . 0.79 HD12 ' HB3' ' B' ' 117' ' ' LYS . 81.6 mt -88.51 137.18 30.65 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.006 179.328 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_endo -77.04 173.42 14.47 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 122.92 2.413 . . . . 10.0 113.26 -178.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 46.7 m 66.02 52.68 1.17 Allowed 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.369 -0.832 . . . . 10.0 112.522 179.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 123' ' ' ARG . . . . . 0.501 ' HB3' HD12 ' B' ' 84' ' ' ILE . 13.9 ptp180 -84.4 142.47 30.11 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.434 179.499 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 5.8 p -90.97 -47.11 7.77 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 110.213 -0.292 . . . . 10.0 110.213 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 47.8 t -80.83 110.04 15.89 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 N-CA-C 109.456 -0.572 . . . . 10.0 109.456 179.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -69.51 144.83 53.06 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.828 -0.623 . . . . 10.0 110.199 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.78 -38.48 64.51 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.883 -0.598 . . . . 10.0 112.026 -179.71 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 128' ' ' LYS . . . . . 0.658 ' HG2' ' H ' ' C' ' 47' ' ' ASP . 1.3 mppt? -63.58 -51.8 63.78 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 112.57 0.581 . . . . 10.0 112.57 -178.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -64.09 -34.75 78.74 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.798 0.295 . . . . 10.0 111.798 -179.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.24 -39.2 86.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.206 0.527 . . . . 10.0 109.887 179.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -72.24 -37.77 69.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.78 -0.645 . . . . 10.0 110.825 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -62.72 -43.56 98.48 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.248 -0.433 . . . . 10.0 111.179 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 27.7 tp -61.82 -40.2 94.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.143 0.497 . . . . 10.0 110.206 179.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -67.39 -36.44 81.31 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.726 -0.67 . . . . 10.0 109.745 179.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -63.72 -38.81 92.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.624 -0.716 . . . . 10.0 109.678 178.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 22.0 t -61.96 -35.25 77.88 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.434 -0.803 . . . . 10.0 111.534 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -92.04 -16.2 26.79 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.293 0.479 . . . . 10.0 112.293 -179.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 84.27 32.1 23.68 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.641 -0.79 . . . . 10.0 112.346 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 23.0 pt -118.33 153.47 51.71 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-O 120.684 0.278 . . . . 10.0 110.815 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 140' ' ' PRO . . . . . 0.451 ' HG2' HG13 ' B' ' 112' ' ' VAL . 75.1 Cg_endo -79.09 151.32 23.65 Favored 'Trans proline' 0 N--CA 1.463 -0.32 0 C-N-CA 122.414 2.076 . . . . 10.0 111.83 179.41 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 141' ' ' PHE . . . . . 0.433 ' HA ' ' O ' ' B' ' 113' ' ' LEU . 74.8 t80 -123.58 130.5 52.76 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.101 179.45 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 142' ' ' ILE . . . . . 0.436 ' HB ' HG22 ' B' ' 114' ' ' VAL . 26.1 mt -130.33 132.4 64.93 Favored 'Isoleucine or valine' 0 C--O 1.237 0.416 0 CA-C-N 116.206 -0.452 . . . . 10.0 111.261 -179.261 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -89.35 125.9 35.32 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.943 -0.762 . . . . 10.0 108.943 178.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 60.6 p -132.07 -180.0 5.75 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.798 0.809 . . . . 10.0 112.449 -178.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 8.7 t -162.66 122.41 2.31 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 114.897 -1.047 . . . . 10.0 108.317 179.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.3 -28.39 61.16 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.946 -0.761 . . . . 10.0 108.946 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -62.0 -46.23 90.13 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.895 -1.048 . . . . 10.0 111.116 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 4.6 p -98.96 -11.06 21.93 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 112.146 0.424 . . . . 10.0 112.146 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.99 17.48 10.12 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.445 0.698 . . . . 10.0 112.564 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -87.63 137.87 31.96 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.086 -0.506 . . . . 10.0 111.32 -179.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 84.05 -14.88 41.46 Favored Glycine 0 C--N 1.332 0.313 0 CA-C-N 116.006 -0.543 . . . . 10.0 113.659 178.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 20.1 t -63.38 -37.72 80.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.661 0.267 . . . . 10.0 111.575 -178.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -61.26 -48.8 79.76 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 121.113 0.482 . . . . 10.0 110.074 179.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -63.52 -40.11 96.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.599 -0.728 . . . . 10.0 110.915 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -56.92 -50.54 72.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.373 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -69.89 -40.6 75.57 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.086 -0.506 . . . . 10.0 111.975 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 4.5 m-30 -64.89 -44.79 88.46 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.91 0.386 . . . . 10.0 110.716 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 158' ' ' THR . . . . . 0.428 ' O ' ' HG2' ' B' ' 162' ' ' GLU . 58.7 m -65.42 -31.71 72.95 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.076 -0.511 . . . . 10.0 111.301 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 159' ' ' LEU . . . . . 0.512 HD22 ' HB2' ' B' ' 79' ' ' LEU . 29.9 tp -61.59 -40.88 96.37 Favored 'General case' 0 C--N 1.334 -0.094 0 N-CA-C 109.548 -0.538 . . . . 10.0 109.548 178.681 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 79.8 t -74.14 -34.98 39.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.607 -0.724 . . . . 10.0 109.269 178.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -59.74 -42.24 92.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.435 -0.802 . . . . 10.0 110.287 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 162' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' B' ' 158' ' ' THR . 26.7 mm-40 -67.97 -34.68 77.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.781 179.456 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 163' ' ' ILE . . . . . 0.474 HG13 ' O ' ' B' ' 159' ' ' LEU . 78.9 mt -62.06 -46.63 96.04 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 N-CA-C 109.145 -0.687 . . . . 10.0 109.145 178.295 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 164' ' ' ARG . . . . . 0.851 HH12 ' HB2' ' B' ' 47' ' ' ASP . 43.9 mtt180 -62.11 -42.67 99.46 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 115.546 -0.752 . . . . 10.0 109.037 178.533 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt . . . . . 0 N--CA 1.45 -0.458 0 CA-C-N 115.425 -0.807 . . . . 10.0 110.131 178.583 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 CA--C 1.528 0.131 0 CA-C-O 121.256 0.551 . . . . 10.0 110.65 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 2' ' ' THR . . . . . 0.406 ' HB ' ' CE2' ' C' ' 4' ' ' TYR . 0.0 OUTLIER -111.02 114.43 27.73 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.9 -0.591 . . . . 10.0 109.851 179.736 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 3' ' ' GLU . . . . . 0.43 ' HA ' ' HB3' ' C' ' 52' ' ' LEU . 4.7 tt0 -82.37 143.21 31.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.409 -0.36 . . . . 10.0 111.331 -179.48 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 4' ' ' TYR . . . . . 0.406 ' CE2' ' HB ' ' C' ' 2' ' ' THR . 96.7 m-85 -138.57 119.21 14.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.087 -0.506 . . . . 10.0 109.687 179.342 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 5' ' ' LYS . . . . . 0.727 ' HA ' ' HB3' ' C' ' 54' ' ' ASP . 52.4 mttm -82.47 113.15 20.02 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.037 0.446 . . . . 10.0 111.473 -179.31 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 14.2 mt -111.51 120.85 43.5 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.758 -0.655 . . . . 10.0 110.314 -179.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 59.9 t -106.82 126.61 62.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.481 -0.327 . . . . 10.0 110.828 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 3.4 t -89.95 121.92 40.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.191 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 28.9 m -125.37 153.56 33.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.642 0.258 . . . . 10.0 110.812 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 159.86 -175.64 36.67 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.769 -0.729 . . . . 10.0 111.886 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -89.34 -167.04 1.75 Allowed 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 110.491 -0.188 . . . . 10.0 110.491 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.38 141.28 28.63 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.886 0.374 . . . . 10.0 111.502 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 79.96 1.9 88.01 Favored Glycine 0 N--CA 1.452 -0.276 0 CA-C-N 115.961 -0.563 . . . . 10.0 113.85 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 34.5 m -73.46 -32.44 36.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 N-CA-C 112.273 0.472 . . . . 10.0 112.273 -179.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 110.78 36.26 1.9 Allowed Glycine 0 C--N 1.333 0.396 0 C-N-CA 120.645 -0.788 . . . . 10.0 113.696 179.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 9.4 mtmm -64.49 -47.74 77.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.199 0.523 . . . . 10.0 109.93 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 1.6 m -66.99 -45.35 77.86 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.621 -0.718 . . . . 10.0 110.76 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.36 -54.87 30.43 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 112.463 0.542 . . . . 10.0 112.463 -179.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 46.6 mt -58.62 -38.82 78.85 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.099 0.476 . . . . 10.0 111.878 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 13.3 m -71.56 -44.71 64.05 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.071 -0.513 . . . . 10.0 111.399 -179.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.02 -34.36 66.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.908 0.385 . . . . 10.0 111.012 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 22' ' ' GLN . . . . . 0.542 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 4.8 mm-40 -61.78 -32.93 73.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.646 179.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 4.0 tp -86.07 -24.57 26.27 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.195 0.522 . . . . 10.0 111.134 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 49.9 mm -91.87 -66.75 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 112.395 0.517 . . . . 10.0 112.395 -178.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -86.33 -10.83 53.68 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 112.433 0.531 . . . . 10.0 112.433 -178.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 26' ' ' ASN . . . . . 0.542 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 42.4 m-80 64.26 44.3 4.43 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 113.881 1.067 . . . . 10.0 113.881 178.038 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -154.63 154.26 32.69 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.361 0.504 . . . . 10.0 112.361 179.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -87.88 138.56 31.35 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.856 -0.611 . . . . 10.0 110.53 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 19.2 m -89.8 155.77 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.989 0.423 . . . . 10.0 111.026 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -128.94 7.5 5.57 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.411 0.624 . . . . 10.0 109.724 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -129.63 141.96 50.83 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.456 -0.793 . . . . 10.0 109.15 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -67.56 128.77 37.68 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.824 -0.35 . . . . 10.0 110.455 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -112.97 95.0 32.41 Favored Pre-proline 0 C--O 1.237 0.44 0 CA-C-N 116.333 -0.394 . . . . 10.0 111.799 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_endo -79.37 78.04 3.86 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.696 2.264 . . . . 10.0 111.258 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.47 116.7 25.76 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.752 -0.658 . . . . 10.0 111.417 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . 0.568 ' HA ' ' HB2' ' C' ' 59' ' ' ALA . 50.7 mm -68.3 -44.84 83.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.17 -0.678 . . . . 10.0 109.17 179.439 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -164.84 104.06 0.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.628 -0.715 . . . . 10.0 110.421 178.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 38' ' ' ASP . . . . . 0.501 ' HB3' ' HB3' ' C' ' 57' ' ' ASP . 14.9 t0 -109.58 157.83 18.64 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.646 -0.706 . . . . 10.0 109.883 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -138.71 131.82 29.82 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.982 0.42 . . . . 10.0 111.749 -179.188 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -132.3 141.44 48.97 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.169 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . 0.462 ' HA ' ' O ' ' C' ' 53' ' ' LEU . 0.0 OUTLIER -127.59 125.68 40.71 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.347 -0.388 . . . . 10.0 110.298 179.381 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 50.5 tttt -144.6 131.16 19.92 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.229 -0.441 . . . . 10.0 110.541 -179.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -100.01 110.35 22.66 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.9 0.381 . . . . 10.0 110.747 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 14.6 m -126.69 160.73 34.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.721 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 45.2 t -91.06 114.36 28.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.504 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 55.7 mt -122.23 121.61 64.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.968 -0.56 . . . . 10.0 109.719 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 47' ' ' ASP . . . . . 0.658 ' H ' ' HG2' ' B' ' 128' ' ' LYS . 23.3 m-20 61.58 26.03 15.82 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.766 -0.652 . . . . 10.0 111.674 179.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.21 -5.46 84.23 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.999 -0.62 . . . . 10.0 111.954 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -103.58 138.58 40.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.796 0.331 . . . . 10.0 110.669 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.43 105.81 15.54 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.388 -0.968 . . . . 10.0 108.388 178.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 3.8 m -110.34 143.98 39.76 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.841 0.682 . . . . 10.0 112.841 -177.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 52' ' ' LEU . . . . . 0.43 ' HB3' ' HA ' ' C' ' 3' ' ' GLU . 51.7 tp -103.41 110.35 22.33 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.064 -1.088 . . . . 10.0 108.064 178.464 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . 0.462 ' O ' ' HA ' ' C' ' 41' ' ' ARG . 21.5 mt -78.46 111.14 14.18 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 112.489 0.551 . . . . 10.0 112.489 -178.193 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . 0.727 ' HB3' ' HA ' ' C' ' 5' ' ' LYS . 13.1 t70 -96.56 80.0 3.08 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.084 -1.45 . . . . 10.0 107.084 177.385 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 7.3 mt -84.16 131.89 32.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.73 -0.668 . . . . 10.0 112.225 -176.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 24.8 tp -124.49 103.24 8.06 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.092 -0.504 . . . . 10.0 110.348 178.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 57' ' ' ASP . . . . . 0.501 ' HB3' ' HB3' ' C' ' 38' ' ' ASP . 14.1 t70 -86.4 103.72 15.22 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.001 -0.545 . . . . 10.0 109.753 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 68.0 p -87.88 178.57 6.66 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.038 -0.528 . . . . 10.0 111.729 -178.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 59' ' ' ALA . . . . . 0.568 ' HB2' ' HA ' ' C' ' 36' ' ' ILE . . . -78.3 170.89 15.89 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.75 -0.659 . . . . 10.0 110.546 178.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -136.95 18.09 3.58 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.283 -0.961 . . . . 10.0 112.809 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -98.81 9.39 43.53 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.766 0.317 . . . . 10.0 111.34 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 58.56 -157.05 0.32 Allowed 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.609 -0.723 . . . . 10.0 112.224 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 65.29 23.59 12.15 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 121.288 0.566 . . . . 10.0 110.789 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 64' ' ' TYR . . . . . 0.637 ' HB3' ' HB3' ' C' ' 67' ' ' MET . 18.3 m-85 -132.3 41.6 3.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.486 -0.779 . . . . 10.0 111.054 -179.192 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 1.1 m -55.71 -47.53 76.7 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.295 -0.411 . . . . 10.0 111.997 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -74.98 -26.19 59.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.829 0.347 . . . . 10.0 111.786 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 67' ' ' MET . . . . . 0.637 ' HB3' ' HB3' ' C' ' 64' ' ' TYR . 24.6 ttt -75.89 -45.91 32.92 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.25 0.548 . . . . 10.0 110.119 179.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 68' ' ' ARG . . . . . 0.687 ' HA ' ' CZ ' ' C' ' 71' ' ' TYR . 26.0 ttp-105 -65.17 -29.5 70.33 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.323 -0.853 . . . . 10.0 109.99 179.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.29 -14.23 47.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 114.993 -1.003 . . . . 10.0 111.24 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 70' ' ' GLN . . . . . 0.55 ' HA ' ' NH2' ' C' ' 73' ' ' ARG . 25.4 tt0 -85.45 -65.08 1.05 Allowed 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.321 0.489 . . . . 10.0 112.321 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 71' ' ' TYR . . . . . 0.687 ' CZ ' ' HA ' ' C' ' 68' ' ' ARG . 3.5 p90 -63.75 -15.93 59.85 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 113.67 0.989 . . . . 10.0 113.67 -178.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 72' ' ' MET . . . . . 0.496 ' HA ' ' HZ ' ' C' ' 78' ' ' PHE . 25.3 mtt -65.99 -28.4 68.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.236 0.541 . . . . 10.0 110.002 178.451 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 73' ' ' ARG . . . . . 0.55 ' NH2' ' HA ' ' C' ' 70' ' ' GLN . 21.6 mtm180 -81.25 -35.28 31.37 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.905 -0.589 . . . . 10.0 109.969 179.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 1.5 m -74.07 -47.5 36.17 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.09 -0.504 . . . . 10.0 110.889 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.81 137.61 48.43 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.741 -0.663 . . . . 10.0 113.843 -179.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -99.2 -42.0 7.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.263 0.554 . . . . 10.0 109.876 179.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -116.16 137.27 13.55 Favored Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 111.013 -0.835 . . . . 10.0 111.013 179.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 78' ' ' PHE . . . . . 0.773 ' HB2' ' HG2' ' C' ' 111' ' ' MET . 79.0 m-85 -117.11 128.42 55.11 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.886 0.374 . . . . 10.0 111.583 -179.43 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 79' ' ' LEU . . . . . 0.447 HD13 HD22 ' C' ' 159' ' ' LEU . 12.3 tp -97.73 104.96 17.03 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.135 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 80' ' ' CYS . . . . . 0.43 ' HB3' HD12 ' C' ' 93' ' ' ILE . 70.2 m -81.56 85.5 6.51 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.262 0.553 . . . . 10.0 110.944 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 44.8 t -93.65 130.57 42.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.748 -0.66 . . . . 10.0 110.614 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 82' ' ' PHE . . . . . 0.673 ' HB3' HD11 ' C' ' 93' ' ' ILE . 40.4 p90 -138.68 169.08 18.43 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.391 -0.596 . . . . 10.0 109.391 178.497 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 83' ' ' ALA . . . . . 0.505 ' HB3' ' HB3' ' C' ' 86' ' ' ASN . . . -105.87 126.74 52.53 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.794 -0.447 . . . . 10.0 109.794 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 84' ' ' ILE . . . . . 0.592 HD13 ' HA ' ' C' ' 118' ' ' CYS . 20.6 pt -65.68 -14.95 17.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.895 0.379 . . . . 10.0 111.648 -179.296 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 28.1 p-10 -105.04 12.51 32.13 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.197 0.522 . . . . 10.0 110.369 179.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 86' ' ' ASN . . . . . 0.505 ' HB3' ' HB3' ' C' ' 83' ' ' ALA . 19.8 t-20 -134.02 95.52 3.45 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.055 179.387 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.96 -30.02 68.81 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.026 -0.534 . . . . 10.0 112.375 -179.087 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -62.51 -44.58 96.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.154 -0.476 . . . . 10.0 110.964 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 85.0 p -64.7 -27.93 69.25 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.675 0.25 . . . . 10.0 111.675 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -70.08 -37.55 75.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.971 0.415 . . . . 10.0 110.055 179.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -72.83 -30.36 63.97 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.563 -0.532 . . . . 10.0 109.563 178.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 92' ' ' ASP . . . . . 0.63 ' HA ' ' HD2' ' C' ' 95' ' ' HIS . 1.3 m-20 -64.56 -24.6 67.65 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.395 -0.82 . . . . 10.0 111.111 179.569 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 93' ' ' ILE . . . . . 0.673 HD11 ' HB3' ' C' ' 82' ' ' PHE . 47.2 mm -54.26 -45.01 67.44 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-O 120.994 0.426 . . . . 10.0 110.976 179.489 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -70.17 -40.84 74.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.959 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 95' ' ' HIS . . . . . 0.63 ' HD2' ' HA ' ' C' ' 92' ' ' ASP . 84.2 m-70 -58.22 -46.67 85.48 Favored 'General case' 0 C--O 1.236 0.35 0 O-C-N 123.509 0.506 . . . . 10.0 110.793 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -65.92 -47.93 73.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.978 -0.555 . . . . 10.0 111.312 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 28.5 ttt180 -56.43 -42.29 77.81 Favored 'General case' 0 N--CA 1.462 0.16 0 O-C-N 123.434 0.459 . . . . 10.0 110.883 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -59.91 -44.12 94.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.665 -0.698 . . . . 10.0 111.556 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -67.05 -44.19 80.8 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.918 -0.313 . . . . 10.0 110.436 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 68.8 mt -56.4 -47.08 82.03 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 CA-C-O 121.138 0.494 . . . . 10.0 110.759 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 38.5 mtmt -60.32 -37.58 81.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.545 -0.752 . . . . 10.0 111.843 -179.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 13.8 ttm180 -74.47 -45.72 44.35 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.229 -0.441 . . . . 10.0 110.839 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 103' ' ' VAL . . . . . 0.401 ' CG1' ' HG3' ' C' ' 73' ' ' ARG . 55.7 t -60.97 -50.57 80.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.9 -0.591 . . . . 10.0 112.398 -179.315 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -84.14 -10.69 57.57 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 121.128 -0.229 . . . . 10.0 111.504 -179.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 32.0 t70 54.69 56.3 6.91 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.513 0.673 . . . . 10.0 111.036 -179.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 38.8 t -153.68 139.3 17.86 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.2 -0.909 . . . . 10.0 110.009 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -81.19 -39.68 25.07 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.442 -0.577 . . . . 10.0 109.442 179.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -91.29 109.74 21.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.736 -0.666 . . . . 10.0 110.611 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 109' ' ' VAL . . . . . 0.422 ' HA ' ' HD3' ' C' ' 110' ' ' PRO . 62.1 t -129.67 131.18 23.39 Favored Pre-proline 0 C--N 1.323 -0.556 0 N-CA-C 109.777 -0.453 . . . . 10.0 109.777 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 110' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' C' ' 109' ' ' VAL . 22.7 Cg_exo -65.59 99.38 0.37 Allowed 'Trans proline' 0 C--O 1.236 0.397 0 C-N-CA 122.399 2.066 . . . . 10.0 111.407 179.176 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 111' ' ' MET . . . . . 0.773 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 36.5 mtm -133.41 154.69 50.55 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.574 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 89.7 t -131.9 132.87 61.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.87 -0.605 . . . . 10.0 109.73 179.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 14.6 tp -87.81 117.5 26.69 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.578 -0.527 . . . . 10.0 109.578 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 54.4 t -117.08 120.28 64.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 112.075 0.398 . . . . 10.0 112.075 -178.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -100.07 111.35 4.16 Favored Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 110.097 -1.201 . . . . 10.0 110.097 178.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -93.54 160.83 14.61 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 117.149 0.475 . . . . 10.0 112.029 -178.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 87.8 mttt 62.28 39.4 12.48 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.559 -0.746 . . . . 10.0 112.369 178.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 118' ' ' CYS . . . . . 0.592 ' HA ' HD13 ' C' ' 84' ' ' ILE . 97.0 m -70.26 -13.74 62.3 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.725 0.639 . . . . 10.0 112.725 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -88.76 -0.04 56.94 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.089 0.403 . . . . 10.0 112.089 -179.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 35.9 mt -84.96 134.87 40.51 Favored Pre-proline 0 C--N 1.331 -0.206 0 CA-C-N 116.5 -0.318 . . . . 10.0 110.54 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -70.11 150.29 65.89 Favored 'Trans proline' 0 C--O 1.233 0.273 0 C-N-CA 122.581 2.187 . . . . 10.0 112.392 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 15.1 m 62.18 75.81 0.39 Allowed 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.78 -0.645 . . . . 10.0 112.418 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 123' ' ' ARG . . . . . 0.423 ' CB ' HD12 ' C' ' 84' ' ' ILE . 14.2 ptp180 -89.6 153.29 20.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.839 -0.619 . . . . 10.0 110.321 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.32 -25.22 14.31 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.889 0.376 . . . . 10.0 111.323 179.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 61.4 t -105.55 114.61 45.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.395 -0.366 . . . . 10.0 111.033 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -75.87 147.4 39.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.045 -0.525 . . . . 10.0 109.819 179.191 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 127' ' ' THR . . . . . 0.539 HG23 ' HE2' ' C' ' 141' ' ' PHE . 1.9 m -60.27 -40.15 89.33 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.191 0.519 . . . . 10.0 110.287 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 128' ' ' LYS . . . . . 0.674 ' HB3' ' HA ' ' B' ' 47' ' ' ASP . 14.9 mtmt -60.17 -44.89 94.67 Favored 'General case' 0 C--O 1.219 -0.507 0 CA-C-N 115.469 -0.787 . . . . 10.0 110.927 179.531 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -68.69 -34.58 75.91 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.792 0.33 . . . . 10.0 111.072 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.99 -46.74 70.46 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.176 -0.465 . . . . 10.0 109.754 179.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -70.53 -29.3 65.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.713 179.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -61.77 -44.0 97.74 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.09 -0.708 . . . . 10.0 109.09 178.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 15.6 tp -70.61 -44.23 67.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.145 -0.934 . . . . 10.0 110.056 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.29 -38.29 86.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.404 -0.817 . . . . 10.0 111.091 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 135' ' ' ARG . . . . . 0.447 HH11 ' HD2' ' C' ' 135' ' ' ARG . 14.8 ttm105 -58.11 -46.5 85.45 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.14 -0.482 . . . . 10.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 1.6 m -70.96 -25.22 62.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 10.0 112.024 -179.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 14.2 m-30 -88.43 -17.12 31.11 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.013 0.375 . . . . 10.0 112.013 -179.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 84.63 12.39 75.23 Favored Glycine 0 C--N 1.33 0.203 0 C-N-CA 121.04 -0.6 . . . . 10.0 112.714 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 48.1 pt -106.51 153.22 40.69 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-O 120.712 0.292 . . . . 10.0 110.96 -179.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -90.69 139.0 2.64 Favored 'Trans proline' 0 N--CA 1.456 -0.682 0 C-N-CA 122.535 2.157 . . . . 10.0 111.805 179.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 141' ' ' PHE . . . . . 0.539 ' HE2' HG23 ' C' ' 127' ' ' THR . 46.8 t80 -109.17 130.94 55.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.337 -0.392 . . . . 10.0 110.326 179.378 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 48.5 mt -127.67 131.49 69.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.373 -0.376 . . . . 10.0 110.41 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -81.97 125.2 30.5 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 108.934 -0.765 . . . . 10.0 108.934 178.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 144' ' ' THR . . . . . 0.462 HG22 ' HA3' ' C' ' 151' ' ' GLY . 79.8 p -132.34 -179.91 5.72 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.051 0.453 . . . . 10.0 112.045 -178.518 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 9.7 t -166.73 117.11 0.92 Allowed 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.111 -0.95 . . . . 10.0 109.313 178.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -70.65 -22.79 62.46 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.33 -0.618 . . . . 10.0 109.33 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -69.34 -35.72 76.2 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.159 -0.928 . . . . 10.0 111.37 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 148' ' ' THR . . . . . 0.416 ' O ' ' HB3' ' C' ' 149' ' ' ARG . 1.1 p -107.16 -7.06 16.96 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 113.109 0.781 . . . . 10.0 113.109 -179.244 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 149' ' ' ARG . . . . . 0.416 ' HB3' ' O ' ' C' ' 148' ' ' THR . 12.6 tpt180 72.35 -4.33 2.06 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 121.593 0.711 . . . . 10.0 111.553 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -70.62 129.84 40.24 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.043 -0.526 . . . . 10.0 111.621 -179.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 151' ' ' GLY . . . . . 0.462 ' HA3' HG22 ' C' ' 144' ' ' THR . . . 83.67 -18.44 19.99 Favored Glycine 0 CA--C 1.517 0.209 0 CA-C-N 115.655 -0.702 . . . . 10.0 114.621 178.235 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 59.8 t -53.19 -52.39 31.01 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 CA-C-N 117.062 0.431 . . . . 10.0 111.633 -179.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -59.09 -47.41 85.36 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.864 -0.607 . . . . 10.0 111.68 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -59.81 -45.6 91.86 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.835 -0.62 . . . . 10.0 111.913 -178.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -57.86 -49.89 75.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.453 -0.339 . . . . 10.0 111.697 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -63.9 -45.01 91.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.416 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -63.86 -41.65 97.72 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.884 -0.598 . . . . 10.0 111.698 -179.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 158' ' ' THR . . . . . 0.493 ' O ' ' HG2' ' C' ' 162' ' ' GLU . 89.8 m -61.2 -40.74 95.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.261 -0.427 . . . . 10.0 111.316 179.74 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 159' ' ' LEU . . . . . 0.447 HD22 HD13 ' C' ' 79' ' ' LEU . 31.7 tp -59.82 -43.83 94.33 Favored 'General case' 0 CA--C 1.521 -0.137 0 CA-C-O 120.905 0.383 . . . . 10.0 111.061 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 72.1 t -63.31 -43.55 98.68 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.362 179.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 161' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' C' ' 161' ' ' ARG . 22.7 ttp180 -64.72 -33.77 76.73 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.486 -0.779 . . . . 10.0 110.923 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 162' ' ' GLU . . . . . 0.493 ' HG2' ' O ' ' C' ' 158' ' ' THR . 56.9 mm-40 -63.79 -41.43 97.92 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.947 0.403 . . . . 10.0 110.19 178.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 163' ' ' ILE . . . . . 0.427 HG13 ' O ' ' C' ' 159' ' ' LEU . 61.4 mt -64.07 -45.69 95.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.93 -0.577 . . . . 10.0 109.503 179.245 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 37.3 ttm180 -63.49 -37.44 87.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.915 -0.584 . . . . 10.0 109.706 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -61.63 -51.24 69.3 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.6 -0.727 . . . . 10.0 109.863 179.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 38.2 t-80 -60.38 -49.0 79.34 Favored 'General case' 0 C--O 1.223 -0.32 0 CA-C-N 116.158 -0.473 . . . . 10.0 111.298 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 98.0 mttt . . . . . 0 C--N 1.328 -0.335 0 N-CA-C 112.388 0.514 . . . . 10.0 112.388 -179.256 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 60.6 tttm . . . . . 0 C--O 1.227 -0.13 0 N-CA-C 112.158 0.429 . . . . 10.0 112.158 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 89.0 mt -58.18 -46.97 84.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.573 -0.285 . . . . 10.0 111.568 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 75.5 mt -64.97 -43.06 93.9 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.985 0.421 . . . . 10.0 111.282 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -68.34 -43.48 77.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 10.0 111.071 -179.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -68.36 -36.16 78.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.846 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 62.2 t90 -63.95 -35.83 81.97 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.153 0.501 . . . . 10.0 110.033 178.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -59.38 -37.06 76.99 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.84 -0.618 . . . . 10.0 110.615 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 8.4 m -64.8 -37.66 88.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.011 -0.541 . . . . 10.0 110.165 178.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 9.8 t -71.81 -34.16 50.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 108.811 -0.811 . . . . 10.0 108.811 178.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 23.5 m -64.89 -47.25 78.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.54 -0.755 . . . . 10.0 111.093 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.21 -41.5 99.16 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.701 -0.481 . . . . 10.0 109.701 179.239 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 213' ' ' THR . . . . . 0.511 ' O ' ' HG ' ' A' ' 217' ' ' LEU . 40.7 m -61.67 -47.88 83.34 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.935 -0.575 . . . . 10.0 109.748 178.674 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -56.1 -43.52 78.15 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 121.103 0.478 . . . . 10.0 110.334 179.142 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 17.3 m -60.11 -49.53 77.28 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.537 -0.756 . . . . 10.0 110.765 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 31.3 mttt -68.8 -34.05 74.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.748 0.308 . . . . 10.0 111.172 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 217' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 213' ' ' THR . 50.0 mt -61.93 -42.85 99.57 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.637 -0.505 . . . . 10.0 109.637 178.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 218' ' ' ARG . . . . . 0.433 ' HA ' ' HB2' ' A' ' 221' ' ' LEU . 64.0 mtt180 -69.39 -32.83 72.1 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.231 179.039 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -64.41 -39.85 94.63 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.668 -0.494 . . . . 10.0 109.668 178.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 220' ' ' GLN . . . . . 0.4 ' O ' HG23 ' A' ' 224' ' ' VAL . 8.0 tp-100 -77.38 -30.22 53.59 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.679 -0.691 . . . . 10.0 110.216 178.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 221' ' ' LEU . . . . . 0.433 ' HB2' ' HA ' ' A' ' 218' ' ' ARG . 4.4 mt -58.16 -31.36 67.16 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.842 -0.617 . . . . 10.0 111.228 179.488 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -57.49 -68.37 1.73 Allowed Glycine 0 CA--C 1.52 0.345 0 N-CA-C 110.523 -1.031 . . . . 10.0 110.523 178.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 223' ' ' PRO . . . . . 0.424 ' O ' ' HG3' ' A' ' 227' ' ' GLU . 71.3 Cg_exo -53.97 -36.9 85.46 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.758 2.306 . . . . 10.0 111.046 177.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 224' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 220' ' ' GLN . 26.8 t -58.15 -51.66 68.27 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.093 0 CA-C-N 116.486 -0.324 . . . . 10.0 110.602 179.455 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 2.8 p -68.73 -29.94 68.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.013 0.435 . . . . 10.0 110.81 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -66.21 -51.54 56.7 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.272 -0.422 . . . . 10.0 110.777 178.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 227' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' A' ' 223' ' ' PRO . 48.4 mt-10 -67.7 -40.05 84.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.164 179.463 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -61.12 -44.94 96.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.304 179.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -65.63 -38.13 88.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.552 179.516 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -63.74 -45.06 91.56 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.774 -0.648 . . . . 10.0 110.038 179.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 231' ' ' ASN . . . . . 0.745 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 72.5 m-20 -69.91 -35.93 74.97 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.437 179.075 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 15.8 mt -64.9 -38.99 92.82 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.956 -0.757 . . . . 10.0 108.956 177.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 233' ' ' GLU . . . . . 0.442 ' HA ' ' OG1' ' A' ' 236' ' ' THR . 3.0 mm-40 -63.43 -32.71 74.23 Favored 'General case' 0 C--O 1.225 -0.197 0 CA-C-N 115.753 -0.658 . . . . 10.0 110.39 178.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 234' ' ' LYS . . . . . 0.745 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 47.2 mttt -68.16 -41.41 81.57 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 108.575 -0.898 . . . . 10.0 108.575 178.271 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.75 -48.12 70.13 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.489 -0.778 . . . . 10.0 110.47 179.189 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 236' ' ' THR . . . . . 0.442 ' OG1' ' HA ' ' A' ' 233' ' ' GLU . 15.9 p -64.12 -40.92 97.22 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.362 179.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -59.67 -46.05 90.22 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.452 -0.574 . . . . 10.0 109.452 178.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -60.21 -48.04 88.07 Favored Glycine 0 N--CA 1.443 -0.872 0 N-CA-C 109.712 -1.355 . . . . 10.0 109.712 178.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 88.6 mt -60.82 -31.2 70.61 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.543 0.211 . . . . 10.0 111.164 179.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 49.6 mtt180 -67.64 -42.39 82.36 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.564 -0.532 . . . . 10.0 109.564 178.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -71.39 -39.69 71.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.619 0.723 . . . . 10.0 109.149 178.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -66.72 -32.87 74.45 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.163 -0.926 . . . . 10.0 110.357 179.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 48.4 ttm -59.82 -32.71 70.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.947 0.404 . . . . 10.0 110.419 179.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 1.5 m -71.95 3.93 3.88 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 115.567 -0.742 . . . . 10.0 110.924 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -131.79 -54.42 1.0 Allowed 'General case' 0 C--O 1.222 -0.357 0 N-CA-C 109.273 -0.64 . . . . 10.0 109.273 178.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 246' ' ' ASP . . . . . 0.706 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 0.7 OUTLIER -55.67 -47.61 76.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 10.0 111.51 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 247' ' ' LEU . . . . . 0.454 ' O ' HG12 ' A' ' 250' ' ' VAL . 16.8 mt -89.13 -43.12 11.27 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.504 179.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -60.7 -49.81 76.02 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.705 0.631 . . . . 10.0 112.705 -179.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -70.43 -28.61 65.17 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 120.917 0.389 . . . . 10.0 110.947 -179.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 250' ' ' VAL . . . . . 0.633 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 0.3 OUTLIER -75.44 -30.53 22.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 O-C-N 122.012 -0.43 . . . . 10.0 110.331 178.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 251' ' ' LYS . . . . . 0.586 ' O ' HG12 ' A' ' 254' ' ' VAL . 39.6 tttt -80.58 -40.31 26.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.73 -0.668 . . . . 10.0 109.828 179.341 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -68.87 -34.46 75.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.504 -0.316 . . . . 10.0 110.322 179.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -89.65 -15.77 31.93 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.284 -0.416 . . . . 10.0 112.026 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 254' ' ' VAL . . . . . 0.633 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 2.3 p -65.12 -27.72 42.93 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 C-N-CA 120.611 -0.436 . . . . 10.0 110.209 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 255' ' ' GLN . . . . . 0.49 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 45.8 mt-30 -63.93 -61.25 7.19 Favored Pre-proline 0 CA--C 1.536 0.415 0 CA-C-N 115.862 -0.608 . . . . 10.0 111.2 179.457 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 256' ' ' PRO . . . . . 0.49 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 29.5 Cg_endo -65.67 -29.42 51.69 Favored 'Trans proline' 0 C--N 1.354 0.865 0 C-N-CA 121.865 1.71 . . . . 10.0 112.062 178.333 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 6.7 m-30 -68.9 -50.69 47.45 Favored 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 109.849 -0.426 . . . . 10.0 109.849 179.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 258' ' ' LEU . . . . . 0.55 ' HB2' ' O ' ' A' ' 254' ' ' VAL . 0.6 OUTLIER -62.51 -42.01 99.22 Favored 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 109.268 -0.642 . . . . 10.0 109.268 179.363 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 259' ' ' ASP . . . . . 0.439 ' O ' ' HB2' ' A' ' 263' ' ' LYS . 31.7 t70 -58.67 -37.53 76.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.435 179.427 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -66.22 -54.06 29.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.32 179.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -62.05 -45.74 92.2 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 115.604 -0.725 . . . . 10.0 111.04 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -63.59 -41.49 98.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.092 -0.504 . . . . 10.0 111.513 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 263' ' ' LYS . . . . . 0.496 ' HB2' ' HE3' ' A' ' 263' ' ' LYS . 20.7 ttmt -59.31 -50.07 75.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.09 0.471 . . . . 10.0 110.039 179.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 264' ' ' LYS . . . . . 0.428 ' NZ ' ' HB2' ' D' ' 513' ' ' ALA . 76.7 mttt -66.75 -35.4 80.02 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.612 -0.722 . . . . 10.0 109.876 178.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 5.1 m95 -64.23 -36.03 82.75 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 109.646 -0.501 . . . . 10.0 109.646 178.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 266' ' ' GLN . . . . . 0.445 ' O ' ' HG3' ' A' ' 270' ' ' GLU . 54.5 mt-30 -62.48 -49.03 77.0 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 108.801 -0.814 . . . . 10.0 108.801 178.089 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -60.37 -45.17 94.47 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 109.089 -0.708 . . . . 10.0 109.089 178.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -57.73 -48.55 79.28 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.966 -0.561 . . . . 10.0 111.213 179.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 94.5 mmm -64.78 -47.81 76.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.685 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 270' ' ' GLU . . . . . 0.445 ' HG3' ' O ' ' A' ' 266' ' ' GLN . 33.7 mt-10 -62.84 -42.84 99.9 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.67 -0.241 . . . . 10.0 111.257 -179.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 44.6 mt -62.72 -41.89 99.39 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 109.409 -0.589 . . . . 10.0 109.409 178.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 272' ' ' TYR . . . . . 0.48 ' O ' HG23 ' A' ' 276' ' ' VAL . 0.2 OUTLIER -63.59 -44.76 93.09 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 115.612 -0.722 . . . . 10.0 109.468 178.695 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 273' ' ' ARG . . . . . 0.46 ' O ' ' HG3' ' A' ' 277' ' ' GLU . 94.7 mtt180 -61.47 -44.58 96.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.38 179.19 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -67.3 -18.63 65.26 Favored 'General case' 0 CA--C 1.523 -0.088 0 CA-C-N 115.837 -0.62 . . . . 10.0 111.255 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 275' ' ' LYS . . . . . 0.695 ' HG2' HD21 ' D' ' 499' ' ' LEU . 10.6 mptt -93.85 -38.91 10.99 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.494 -0.321 . . . . 10.0 110.554 178.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 276' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 272' ' ' TYR . 25.5 t -53.68 -40.04 41.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.314 -0.403 . . . . 10.0 110.828 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 277' ' ' GLU . . . . . 0.53 ' HB2' ' HD3' ' A' ' 278' ' ' PRO . 17.8 mt-10 -57.98 -64.97 2.14 Favored Pre-proline 0 CA--C 1.542 0.653 0 N-CA-C 112.127 0.417 . . . . 10.0 112.127 -179.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 278' ' ' PRO . . . . . 0.53 ' HD3' ' HB2' ' A' ' 277' ' ' GLU . 20.7 Cg_endo -62.34 -36.99 64.17 Favored 'Trans proline' 0 C--N 1.358 1.031 0 C-N-CA 122.048 1.832 . . . . 10.0 112.404 179.495 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 279' ' ' LEU . . . . . 0.715 HD22 ' HE3' ' D' ' 495' ' ' LYS . 29.3 mt -65.0 -36.79 85.55 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.697 0.284 . . . . 10.0 110.561 179.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 28.5 ttm180 -64.73 -39.26 93.34 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 109.356 -0.609 . . . . 10.0 109.356 178.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -59.75 -48.16 82.78 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.908 -0.587 . . . . 10.0 109.508 178.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 282' ' ' GLU . . . . . 0.43 ' HG3' ' O ' ' A' ' 278' ' ' PRO . 71.3 mt-10 -61.52 -46.68 88.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.272 179.247 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 30.0 mt -63.5 -40.4 96.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.953 -0.567 . . . . 10.0 111.154 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -67.99 -51.29 48.86 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.079 -0.509 . . . . 10.0 110.874 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -61.06 -40.5 93.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.925 0.393 . . . . 10.0 110.382 179.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -66.32 -46.54 77.91 Favored Glycine 0 N--CA 1.441 -0.967 0 N-CA-C 110.728 -0.949 . . . . 10.0 110.728 178.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -61.91 -38.95 90.28 Favored 'General case' 0 C--O 1.222 -0.375 0 N-CA-C 110.501 -0.185 . . . . 10.0 110.501 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 88.5 mtt180 -54.4 -51.42 64.93 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 116.315 -0.402 . . . . 10.0 110.547 179.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -70.73 -46.73 62.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.988 -0.551 . . . . 10.0 111.421 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -58.57 -48.01 82.33 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.751 0.31 . . . . 10.0 111.531 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 291' ' ' LEU . . . . . 0.465 ' O ' ' HG3' ' A' ' 295' ' ' GLN . 94.3 mt -66.0 -38.58 88.84 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.492 -0.322 . . . . 10.0 110.841 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -68.54 -36.85 79.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.83 0.348 . . . . 10.0 110.575 179.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -65.76 -37.12 85.46 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.967 -0.753 . . . . 10.0 108.967 178.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 72.3 mt -67.46 -37.55 83.1 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.802 -0.635 . . . . 10.0 109.639 178.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 295' ' ' GLN . . . . . 0.465 ' HG3' ' O ' ' A' ' 291' ' ' LEU . 59.6 mt-30 -68.18 -30.14 69.17 Favored 'General case' 0 CA--C 1.521 -0.16 0 N-CA-C 109.483 -0.562 . . . . 10.0 109.483 178.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -65.71 -15.45 62.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.688 -0.687 . . . . 10.0 110.954 178.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . 0.52 ' HB3' HD12 ' A' ' 301' ' ' LEU . 17.9 mmtp -111.91 -27.54 8.41 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.147 179.284 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 298' ' ' LEU . . . . . 0.423 ' O ' ' HA3' ' A' ' 302' ' ' GLY . 12.4 mt -69.69 -34.25 73.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.212 -0.449 . . . . 10.0 112.116 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 299' ' ' SER . . . . . 0.5 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 8.8 m -76.33 -66.34 0.37 Allowed Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 113.162 0.801 . . . . 10.0 113.162 -179.277 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 300' ' ' PRO . . . . . 0.5 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 33.2 Cg_endo -63.48 -57.07 0.41 Allowed 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 121.736 1.624 . . . . 10.0 112.803 -179.198 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 301' ' ' LEU . . . . . 0.554 HD13 ' HG2' ' D' ' 473' ' ' LYS . 68.4 mt -64.42 -26.36 68.42 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-O 120.548 0.213 . . . . 10.0 110.506 -179.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 302' ' ' GLY . . . . . 0.423 ' HA3' ' O ' ' A' ' 298' ' ' LEU . . . -70.6 -50.72 24.1 Favored Glycine 0 N--CA 1.449 -0.461 0 N-CA-C 110.851 -0.899 . . . . 10.0 110.851 178.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -62.05 -41.35 98.05 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 121.302 0.572 . . . . 10.0 109.803 178.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.95 -38.96 92.98 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.216 -0.902 . . . . 10.0 109.634 178.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 11.0 tpt -62.94 -39.95 96.17 Favored 'General case' 0 CA--C 1.518 -0.273 0 N-CA-C 109.329 -0.619 . . . . 10.0 109.329 178.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 306' ' ' ARG . . . . . 0.477 ' O ' ' HG3' ' A' ' 310' ' ' ARG . 62.7 mtt180 -67.46 -38.21 84.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.658 -0.701 . . . . 10.0 110.092 178.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 307' ' ' ASP . . . . . 0.894 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 22.7 t70 -67.58 -39.66 84.87 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 109.46 -0.571 . . . . 10.0 109.46 178.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -67.51 -34.47 77.18 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 108.612 -0.885 . . . . 10.0 108.612 177.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -66.09 -37.98 87.1 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 108.955 -0.757 . . . . 10.0 108.955 178.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 310' ' ' ARG . . . . . 0.894 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 92.7 mtt180 -59.53 -45.96 90.26 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 108.209 -1.034 . . . . 10.0 108.209 177.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -64.88 -42.03 95.15 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.626 -0.715 . . . . 10.0 110.017 178.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -56.24 -51.9 66.41 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.139 179.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 59.2 t -70.12 -39.48 77.14 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-N 115.576 -0.738 . . . . 10.0 111.878 -179.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -62.18 -42.41 99.25 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 109.8 -0.444 . . . . 10.0 109.8 179.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -64.93 -33.82 76.93 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.895 -0.593 . . . . 10.0 109.632 178.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 33.3 mt -70.21 -42.55 72.19 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.432 178.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 33.3 ttm105 -63.16 -41.35 99.23 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.967 -0.561 . . . . 10.0 111.412 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -66.23 -21.05 66.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.045 0.45 . . . . 10.0 111.224 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 49.9 m80 -98.45 -41.51 7.76 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.22 -0.445 . . . . 10.0 110.812 179.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 320' ' ' LEU . . . . . 0.514 ' HA ' ' HB2' ' A' ' 323' ' ' TYR . 77.0 mt -66.92 -26.54 66.91 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.284 0.475 . . . . 10.0 112.284 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -60.62 -60.75 9.64 Favored Pre-proline 0 CA--C 1.532 0.269 0 C-N-CA 120.945 -0.302 . . . . 10.0 110.877 178.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -66.71 -28.51 43.98 Favored 'Trans proline' 0 C--N 1.356 0.942 0 C-N-CA 121.512 1.475 . . . . 10.0 110.737 178.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 323' ' ' TYR . . . . . 0.514 ' HB2' ' HA ' ' A' ' 320' ' ' LEU . 3.7 m-30 -63.08 -51.46 66.57 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 116.253 -0.431 . . . . 10.0 109.849 178.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 324' ' ' SER . . . . . 0.49 ' HA ' ' HB2' ' A' ' 327' ' ' LEU . 17.5 p -67.53 -33.58 75.35 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 110.01 -0.367 . . . . 10.0 110.01 179.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 325' ' ' ASP . . . . . 0.534 ' HA ' ' HD2' ' A' ' 328' ' ' ARG . 26.5 t0 -61.26 -47.12 87.47 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 115.841 -0.618 . . . . 10.0 109.393 178.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -74.55 -24.15 58.89 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.702 -0.681 . . . . 10.0 110.666 178.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . 0.49 ' HB2' ' HA ' ' A' ' 324' ' ' SER . 19.4 mt -67.98 -30.37 69.63 Favored 'General case' 0 CA--C 1.52 -0.178 0 N-CA-C 108.887 -0.783 . . . . 10.0 108.887 177.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 328' ' ' ARG . . . . . 0.534 ' HD2' ' HA ' ' A' ' 325' ' ' ASP . 78.9 mtt180 -63.22 -45.74 90.21 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 107.992 -1.114 . . . . 10.0 107.992 177.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -63.73 -44.13 94.45 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 114.998 -1.001 . . . . 10.0 109.288 178.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 27.4 mtt-85 -57.31 -49.01 77.45 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.652 -0.704 . . . . 10.0 110.102 178.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 6.1 mt -60.17 -47.92 83.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.74 179.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -59.66 -46.68 88.32 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.239 -0.437 . . . . 10.0 111.155 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -62.7 -45.78 91.2 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.942 0.401 . . . . 10.0 110.845 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 334' ' ' ARG . . . . . 0.401 ' HD3' HH11 ' A' ' 334' ' ' ARG . 35.3 mtt-85 -63.94 -41.88 97.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.4 179.236 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 335' ' ' LEU . . . . . 0.606 ' O ' ' HB2' ' A' ' 339' ' ' LYS . 24.8 mt -62.63 -43.84 97.8 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.278 179.111 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -63.49 -45.91 88.57 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 120.645 0.26 . . . . 10.0 110.572 179.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 337' ' ' ALA . . . . . 0.509 ' O ' ' HB2' ' A' ' 341' ' ' ASN . . . -56.21 -47.18 78.9 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.846 -0.615 . . . . 10.0 110.349 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 67.0 mt -80.96 -12.91 59.3 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.306 -0.407 . . . . 10.0 111.823 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 339' ' ' LYS . . . . . 0.606 ' HB2' ' O ' ' A' ' 335' ' ' LEU . 70.7 tttt -80.64 -54.87 5.26 Favored 'General case' 0 CA--C 1.512 -0.504 0 N-CA-C 109.417 -0.586 . . . . 10.0 109.417 179.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -66.02 -41.52 90.84 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.36 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 341' ' ' ASN . . . . . 0.509 ' HB2' ' O ' ' A' ' 337' ' ' ALA . 4.7 t-20 -67.15 -44.18 80.43 Favored 'General case' 0 C--O 1.225 -0.197 0 N-CA-C 108.846 -0.798 . . . . 10.0 108.846 178.523 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -60.44 -41.51 98.61 Favored Glycine 0 N--CA 1.447 -0.586 0 CA-C-N 115.798 -0.637 . . . . 10.0 111.892 179.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -61.25 -41.68 99.56 Favored Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 110.902 -0.879 . . . . 10.0 110.902 178.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -68.86 -40.21 79.46 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 109.728 -0.471 . . . . 10.0 109.728 179.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 33.0 mtm180 -64.58 -44.11 91.72 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.579 179.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 24.0 mt -59.79 -47.46 85.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.87 0.367 . . . . 10.0 110.199 179.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.97 -40.46 93.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.121 0.486 . . . . 10.0 110.183 179.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -67.32 -44.73 78.4 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.017 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -61.44 -41.42 97.16 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.394 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 31.1 m-70 -62.03 -44.95 95.6 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.566 -0.531 . . . . 10.0 109.566 178.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 351' ' ' ALA . . . . . 0.432 ' O ' ' HG2' ' A' ' 355' ' ' GLU . . . -63.13 -47.11 84.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.814 -0.63 . . . . 10.0 109.792 179.066 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 12.2 mttm -59.99 -46.21 90.21 Favored 'General case' 0 CA--C 1.521 -0.135 0 CA-C-N 116.134 -0.485 . . . . 10.0 109.836 178.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . 0.472 ' O ' ' HG ' ' A' ' 357' ' ' LEU . . . -59.19 -37.22 76.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.057 -0.519 . . . . 10.0 110.095 179.216 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 55.4 m -61.85 -47.17 86.25 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.09 -0.708 . . . . 10.0 109.09 178.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 355' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' ' 351' ' ' ALA . 8.4 mm-40 -63.43 -39.36 94.28 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.014 -0.539 . . . . 10.0 109.685 178.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -64.96 -36.33 84.03 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-N 115.703 -0.681 . . . . 10.0 109.966 178.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 357' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 353' ' ' ALA . 72.5 mt -70.5 -40.17 73.7 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 110.012 -0.366 . . . . 10.0 110.012 179.051 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 20.3 m -62.56 -39.91 95.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.211 -0.449 . . . . 10.0 110.276 178.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 1.6 p -76.96 -32.85 57.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.064 0.459 . . . . 10.0 110.159 178.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 360' ' ' LEU . . . . . 0.564 ' HA ' ' HE3' ' A' ' 363' ' ' LYS . 56.3 tp -65.16 -30.24 71.14 Favored 'General case' 0 CA--C 1.517 -0.292 0 N-CA-C 109.022 -0.732 . . . . 10.0 109.022 178.438 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 35.7 m -63.19 -30.55 71.67 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.536 -0.757 . . . . 10.0 109.842 178.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 362' ' ' GLU . . . . . 0.442 ' HA ' ' HD2' ' A' ' 366' ' ' PRO . 5.3 mm-40 -72.39 -22.79 61.08 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.35 -0.611 . . . . 10.0 109.35 179.011 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 363' ' ' LYS . . . . . 0.738 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 44.6 mtmt -91.97 -23.16 19.65 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.503 -0.771 . . . . 10.0 110.529 179.493 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 364' ' ' ALA . . . . . 0.445 ' O ' ' HB2' ' A' ' 368' ' ' LEU . . . -91.16 -33.69 15.32 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.909 -179.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 365' ' ' LYS . . . . . 1.012 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 82.8 mttt -97.79 -74.18 0.04 OUTLIER Pre-proline 0 CA--C 1.538 0.49 0 N-CA-C 112.423 0.527 . . . . 10.0 112.423 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 366' ' ' PRO . . . . . 1.012 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 32.3 Cg_exo -61.84 -54.19 1.71 Allowed 'Trans proline' 0 C--N 1.355 0.876 0 C-N-CA 121.923 1.749 . . . . 10.0 113.034 -179.382 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 367' ' ' ALA . . . . . 0.738 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -57.23 -48.49 78.7 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.325 0.491 . . . . 10.0 112.325 -179.316 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 368' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' ' 363' ' ' LYS . 12.1 mt -64.86 -37.56 88.05 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.912 -0.315 . . . . 10.0 111.041 179.42 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -60.79 -50.25 74.22 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.089 -0.708 . . . . 10.0 109.089 178.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.28 -43.12 92.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.755 -0.657 . . . . 10.0 110.505 179.343 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 75.1 mt -63.36 -45.99 88.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.669 179.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 82.9 mtt180 -65.47 -36.9 85.26 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 120.769 0.319 . . . . 10.0 110.774 179.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -63.09 -35.58 80.74 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.687 -0.688 . . . . 10.0 110.094 178.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -83.13 -31.93 27.29 Favored Glycine 0 N--CA 1.45 -0.412 0 CA-C-N 115.907 -0.588 . . . . 10.0 112.015 179.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 43.3 mt -61.92 -38.16 87.38 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 120.326 0.107 . . . . 10.0 111.086 179.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 18.9 mt -52.54 -61.81 4.12 Favored Pre-proline 0 CA--C 1.54 0.584 0 N-CA-C 113.238 0.829 . . . . 10.0 113.238 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_endo -59.84 -36.42 90.94 Favored 'Trans proline' 0 C--N 1.356 0.964 0 C-N-CA 122.115 1.877 . . . . 10.0 111.638 179.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 57.5 t -64.04 -44.34 97.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 379' ' ' LEU . . . . . 0.438 ' O ' ' HG3' ' A' ' 383' ' ' LYS . 63.0 mt -63.08 -41.37 99.4 Favored 'General case' 0 CA--C 1.516 -0.365 0 N-CA-C 109.622 -0.511 . . . . 10.0 109.622 178.523 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 380' ' ' GLU . . . . . 0.469 ' O ' HG23 ' A' ' 384' ' ' VAL . 14.0 mt-10 -61.89 -43.03 99.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 10.0 109.987 178.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 16.3 m -63.56 -40.86 98.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.825 -0.625 . . . . 10.0 109.705 178.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -64.2 -39.4 93.9 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-N 115.833 -0.621 . . . . 10.0 110.512 179.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 383' ' ' LYS . . . . . 0.438 ' HG3' ' O ' ' A' ' 379' ' ' LEU . 91.7 mttt -58.9 -44.44 91.24 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 110.009 -0.367 . . . . 10.0 110.009 179.109 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 384' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 380' ' ' GLU . 39.6 t -65.1 -45.25 94.78 Favored 'Isoleucine or valine' 0 C--O 1.232 0.161 0 CA-C-O 121.059 0.457 . . . . 10.0 110.129 179.502 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 21.4 m -64.83 -38.65 91.71 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.849 -0.614 . . . . 10.0 111.55 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -72.74 -40.37 66.11 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.544 0.211 . . . . 10.0 111.35 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 17.7 mt -61.11 -44.81 96.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.803 0.335 . . . . 10.0 110.355 178.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 388' ' ' SER . . . . . 0.797 ' HB2' ' HD3' ' D' ' 594' ' ' LYS . 9.7 p -68.66 -34.93 76.55 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.604 179.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -65.33 -40.45 93.71 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.178 -0.465 . . . . 10.0 110.105 179.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 77.6 mt -62.09 -37.25 84.33 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.034 -0.53 . . . . 10.0 109.824 178.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -63.41 -38.7 92.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.925 -0.58 . . . . 10.0 110.174 178.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -56.72 -43.01 80.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.633 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -61.63 -42.99 99.67 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.926 -0.579 . . . . 10.0 109.906 178.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 18.0 m -70.42 -31.77 69.11 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.954 -0.567 . . . . 10.0 112.423 -179.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -82.83 -36.23 25.68 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 113.617 0.969 . . . . 10.0 113.617 -178.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 396' ' ' LYS . . . . . 0.474 ' HG2' ' HB2' ' D' ' 587' ' ' ALA . 1.7 mptt -98.47 -35.82 10.14 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 113.938 1.088 . . . . 10.0 113.938 -178.291 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 36.1 mt -93.75 -1.76 54.63 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.749 -0.38 . . . . 10.0 111.724 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 15.1 t30 . . . . . 0 C--N 1.324 -0.539 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.299 -179.736 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' D' D ' 399' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' D' ' 399' ' ' LEU . 3.7 mm? . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.909 0.385 . . . . 10.0 111.006 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -83.92 31.56 0.49 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.552 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 44.7 mt -65.71 -39.18 90.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.86 -0.609 . . . . 10.0 111.543 -179.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 87.3 mt -68.24 -41.24 81.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.823 0.344 . . . . 10.0 110.54 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -66.0 -44.57 84.43 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.58 -0.736 . . . . 10.0 109.689 179.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 404' ' ' ASN . . . . . 0.428 ' O ' HG23 ' D' ' 408' ' ' VAL . 26.8 t-20 -63.22 -46.5 86.68 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.423 -0.808 . . . . 10.0 110.668 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -63.17 -29.76 71.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.199 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -65.37 -43.25 91.32 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.849 -0.426 . . . . 10.0 109.849 179.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.29 -34.55 77.94 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.119 0.485 . . . . 10.0 110.028 179.193 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 408' ' ' VAL . . . . . 0.428 HG23 ' O ' ' D' ' 404' ' ' ASN . 54.8 t -68.44 -32.73 56.65 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-N 115.441 -0.799 . . . . 10.0 109.164 178.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 82.4 m -67.72 -40.54 84.22 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.515 -0.766 . . . . 10.0 109.332 178.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.6 -39.35 83.93 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.724 -0.671 . . . . 10.0 110.58 179.059 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.15 -37.35 80.95 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 116.178 -0.464 . . . . 10.0 110.019 179.337 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -65.84 -44.16 86.34 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.167 178.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 413' ' ' SER . . . . . 0.523 ' O ' ' HG3' ' D' ' 417' ' ' GLU . 14.5 m -58.94 -42.9 90.91 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.87 -0.418 . . . . 10.0 109.87 178.663 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 414' ' ' LYS . . . . . 0.426 ' HA ' ' HD3' ' D' ' 414' ' ' LYS . 28.6 mmtt -61.68 -37.18 83.14 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 121.248 0.547 . . . . 10.0 110.566 178.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 85.5 mt -69.57 -38.88 77.58 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.867 -0.606 . . . . 10.0 109.596 178.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -64.94 -34.71 79.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.978 -0.555 . . . . 10.0 111.014 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 417' ' ' GLU . . . . . 0.531 ' O ' ' HD2' ' D' ' 421' ' ' PRO . 76.2 mt-10 -67.43 -40.9 85.51 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.296 -0.631 . . . . 10.0 109.296 178.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 418' ' ' GLN . . . . . 0.645 ' O ' ' HB ' ' D' ' 422' ' ' VAL . 46.1 mt-30 -71.88 -25.3 61.88 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.763 -0.653 . . . . 10.0 110.201 179.027 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 419' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' D' ' 419' ' ' LEU . 17.6 mt -74.38 -0.4 17.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.691 -0.686 . . . . 10.0 111.235 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -99.68 -94.18 2.09 Favored Glycine 0 N--CA 1.444 -0.828 0 CA-C-N 115.71 -0.677 . . . . 10.0 111.557 178.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 421' ' ' PRO . . . . . 0.531 ' HD2' ' O ' ' D' ' 417' ' ' GLU . 85.4 Cg_exo -50.33 -43.39 44.09 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 123.662 2.908 . . . . 10.0 113.773 -179.697 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 422' ' ' VAL . . . . . 0.645 ' HB ' ' O ' ' D' ' 418' ' ' GLN . 57.4 t -63.69 -40.88 90.68 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 CA-C-O 120.579 0.228 . . . . 10.0 111.342 -179.453 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 423' ' ' THR . . . . . 0.416 ' HA ' ' HB3' ' D' ' 426' ' ' PHE . 3.8 m -73.73 -35.19 65.05 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.938 -0.393 . . . . 10.0 109.938 179.617 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -60.71 -45.59 93.63 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.103 -0.499 . . . . 10.0 109.841 178.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -75.29 -25.05 57.64 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.272 -0.422 . . . . 10.0 110.219 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 426' ' ' PHE . . . . . 0.417 ' O ' ' HG ' ' D' ' 430' ' ' LEU . 23.3 t80 -66.34 -39.87 89.49 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 108.576 -0.898 . . . . 10.0 108.576 177.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 427' ' ' TRP . . . . . 0.549 ' HA ' HD12 ' D' ' 430' ' ' LEU . 4.3 m95 -67.19 -39.36 86.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.466 -0.788 . . . . 10.0 109.316 178.069 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -66.8 -32.99 74.63 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 108.626 -0.879 . . . . 10.0 108.626 177.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -67.99 -42.53 80.63 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 108.944 -0.761 . . . . 10.0 108.944 177.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 430' ' ' LEU . . . . . 0.549 HD12 ' HA ' ' D' ' 427' ' ' TRP . 85.9 mt -55.82 -38.21 69.7 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 115.832 -0.622 . . . . 10.0 109.555 178.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 -62.87 -46.18 89.06 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.826 -0.625 . . . . 10.0 109.591 178.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -61.44 -44.5 97.01 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 116.123 -0.489 . . . . 10.0 109.904 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 433' ' ' GLU . . . . . 0.443 ' O ' ' HG ' ' D' ' 437' ' ' LEU . 13.3 mt-10 -62.99 -53.21 57.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.758 -0.656 . . . . 10.0 111.555 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 12.0 p -63.69 -45.5 89.75 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.732 0.271 . . . . 10.0 111.732 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 435' ' ' GLU . . . . . 0.466 ' O ' ' HG3' ' D' ' 439' ' ' GLN . 24.3 mm-40 -64.45 -41.08 96.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.814 0.34 . . . . 10.0 110.448 179.427 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -63.74 -42.07 98.73 Favored Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 110.549 -1.02 . . . . 10.0 110.549 178.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 437' ' ' LEU . . . . . 0.444 ' O ' ' HB2' ' D' ' 441' ' ' MET . 73.9 mt -67.64 -29.66 69.02 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.587 -0.523 . . . . 10.0 109.587 178.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 61.4 mtt180 -71.02 -29.69 65.69 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.222 -0.445 . . . . 10.0 109.929 178.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 439' ' ' GLN . . . . . 0.466 ' HG3' ' O ' ' D' ' 435' ' ' GLU . 97.5 mt-30 -61.02 -40.24 92.83 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 109.625 -0.509 . . . . 10.0 109.625 178.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 440' ' ' GLU . . . . . 0.478 ' O ' ' HB2' ' D' ' 444' ' ' ASP . 4.8 pt-20 -87.16 -41.5 13.71 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.626 -0.715 . . . . 10.0 111.384 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 441' ' ' MET . . . . . 0.444 ' HB2' ' O ' ' D' ' 437' ' ' LEU . 6.9 mmm -61.76 -38.72 89.04 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 112.605 0.595 . . . . 10.0 112.605 -179.123 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 36.1 p -64.81 -54.26 34.02 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.787 -0.449 . . . . 10.0 109.787 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 443' ' ' LYS . . . . . 0.453 ' HB3' ' HE3' ' D' ' 443' ' ' LYS . 16.3 mtpp -61.9 -29.05 69.95 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.947 -0.57 . . . . 10.0 110.337 179.06 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 444' ' ' ASP . . . . . 0.54 ' O ' HG23 ' D' ' 448' ' ' VAL . 4.9 t0 -70.26 -57.76 4.52 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.811 -0.631 . . . . 10.0 109.786 179.303 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 11.9 mt -60.4 -42.8 96.68 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.659 0.615 . . . . 10.0 112.659 -179.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -64.46 -25.92 68.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.361 0.601 . . . . 10.0 110.04 179.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 447' ' ' GLU . . . . . 0.451 ' HB2' ' O ' ' D' ' 443' ' ' LYS . 4.7 tt0 -90.97 -23.94 20.27 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.835 -0.62 . . . . 10.0 109.989 179.11 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 448' ' ' VAL . . . . . 0.54 HG23 ' O ' ' D' ' 444' ' ' ASP . 6.6 t -60.86 -41.58 89.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 109.136 -0.69 . . . . 10.0 109.136 178.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 70.6 mttt -64.91 -25.58 67.94 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.431 -0.804 . . . . 10.0 109.808 178.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -94.47 -1.57 53.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.579 -0.737 . . . . 10.0 111.316 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 451' ' ' LYS . . . . . 0.433 ' O ' ' HB2' ' D' ' 455' ' ' TYR . 36.7 mmtm -113.04 -45.83 3.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.497 -0.319 . . . . 10.0 110.915 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 98.3 t -68.34 -40.78 82.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.315 -0.402 . . . . 10.0 111.367 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -55.73 -60.06 9.68 Favored Pre-proline 0 CA--C 1.536 0.408 0 N-CA-C 112.18 0.437 . . . . 10.0 112.18 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -64.84 -29.77 58.59 Favored 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 121.54 1.494 . . . . 10.0 111.647 179.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 455' ' ' TYR . . . . . 0.535 ' O ' ' HB2' ' D' ' 459' ' ' PHE . 2.6 t80 -69.54 -41.97 75.24 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 110.14 -0.319 . . . . 10.0 110.14 179.285 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 20.0 mt -66.25 -36.19 82.35 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.854 -0.424 . . . . 10.0 109.854 179.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -67.1 -50.63 60.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.852 -0.613 . . . . 10.0 109.987 178.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -63.39 -36.67 84.48 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-N 115.877 -0.601 . . . . 10.0 109.991 179.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 459' ' ' PHE . . . . . 0.535 ' HB2' ' O ' ' D' ' 455' ' ' TYR . 0.0 OUTLIER -65.58 -47.95 74.02 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 115.716 -0.675 . . . . 10.0 109.58 178.552 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -62.61 -35.15 78.63 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.914 -0.585 . . . . 10.0 110.346 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 461' ' ' LYS . . . . . 0.433 ' O ' ' HG3' ' D' ' 465' ' ' GLU . 61.5 mttt -61.41 -46.23 91.0 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.312 -0.625 . . . . 10.0 109.312 178.106 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 14.9 mtmm -67.66 -36.18 80.25 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 115.521 -0.763 . . . . 10.0 110.202 178.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 37.9 m0 -62.62 -46.42 88.34 Favored 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 108.613 -0.884 . . . . 10.0 108.613 177.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -59.0 -44.72 91.69 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-N 115.485 -0.78 . . . . 10.0 109.745 178.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 465' ' ' GLU . . . . . 0.611 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 36.2 mt-10 -56.66 -58.67 7.08 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.434 179.347 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.86 -42.73 98.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.436 -179.512 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 25.8 ttm -60.69 -45.43 94.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.706 0.289 . . . . 10.0 110.767 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -67.98 -41.2 82.71 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 116.382 -0.372 . . . . 10.0 110.086 178.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 469' ' ' LEU . . . . . 0.611 ' HG ' ' O ' ' D' ' 465' ' ' GLU . 65.9 mt -57.36 -41.85 80.93 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 116.242 -0.436 . . . . 10.0 110.171 179.111 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 14.3 m-30 -62.91 -26.61 68.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 10.0 111.059 179.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 471' ' ' ARG . . . . . 0.854 ' HA ' ' HG3' ' D' ' 475' ' ' GLU . 14.5 mmt85 -74.89 -19.91 59.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.099 -0.501 . . . . 10.0 110.205 178.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 472' ' ' GLN . . . . . 0.402 ' H ' ' HG2' ' D' ' 472' ' ' GLN . 0.0 OUTLIER -114.5 10.61 16.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 10.0 111.09 178.779 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 473' ' ' LYS . . . . . 0.554 ' HG2' HD13 ' A' ' 301' ' ' LEU . 83.6 mttt -133.51 -64.83 0.7 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.781 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 94.9 t -63.19 -42.18 95.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.574 -0.285 . . . . 10.0 110.766 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 475' ' ' GLU . . . . . 0.854 ' HG3' ' HA ' ' D' ' 471' ' ' ARG . 3.0 mt-10 -58.06 -57.19 27.68 Favored Pre-proline 0 CA--C 1.538 0.509 0 N-CA-C 112.052 0.39 . . . . 10.0 112.052 179.415 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_endo -62.46 -34.63 75.44 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 121.821 1.681 . . . . 10.0 111.142 177.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 19.6 mt -64.75 -31.21 72.33 Favored 'General case' 0 CA--C 1.522 -0.109 0 CA-C-O 121.23 0.538 . . . . 10.0 109.707 178.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 478' ' ' ARG . . . . . 0.43 ' O ' ' HB2' ' D' ' 482' ' ' GLN . 13.7 mtt180 -67.3 -29.6 69.23 Favored 'General case' 0 C--O 1.22 -0.474 0 N-CA-C 109.228 -0.656 . . . . 10.0 109.228 177.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -76.13 -38.79 56.38 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 108.321 -0.992 . . . . 10.0 108.321 178.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.41 -45.5 94.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.347 -0.842 . . . . 10.0 108.764 177.707 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 90.1 mt -74.77 -25.63 59.2 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 115.513 -0.767 . . . . 10.0 110.4 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 482' ' ' GLN . . . . . 0.43 ' HB2' ' O ' ' D' ' 478' ' ' ARG . 7.0 tp60 -65.59 -59.62 3.77 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.315 -0.624 . . . . 10.0 109.315 179.046 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.33 -34.69 78.55 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.519 -0.764 . . . . 10.0 110.24 179.574 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -64.83 -44.1 95.2 Favored Glycine 0 N--CA 1.446 -0.637 0 N-CA-C 111.388 -0.685 . . . . 10.0 111.388 178.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -67.59 -39.18 84.82 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 109.735 -0.468 . . . . 10.0 109.735 178.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -62.83 -41.9 99.51 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 116.071 -0.513 . . . . 10.0 109.665 178.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 487' ' ' GLN . . . . . 0.473 ' O ' ' HG3' ' D' ' 491' ' ' GLU . 6.2 mm-40 -66.75 -43.6 83.67 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.709 -0.678 . . . . 10.0 109.472 178.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -63.98 -37.58 87.94 Favored 'General case' 0 C--O 1.224 -0.24 0 N-CA-C 109.69 -0.485 . . . . 10.0 109.69 178.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 31.8 mt -64.3 -38.64 91.77 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 109.17 -0.678 . . . . 10.0 109.17 177.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -66.69 -45.76 77.77 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 108.181 -1.044 . . . . 10.0 108.181 177.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 491' ' ' GLU . . . . . 0.473 ' HG3' ' O ' ' D' ' 487' ' ' GLN . 42.9 mt-10 -58.28 -41.36 84.18 Favored 'General case' 0 CA--C 1.52 -0.174 0 N-CA-C 109.269 -0.641 . . . . 10.0 109.269 178.209 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 49.9 mt -66.63 -47.31 72.99 Favored 'General case' 0 C--O 1.22 -0.473 0 CA-C-N 115.728 -0.669 . . . . 10.0 110.408 179.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -60.1 -37.47 80.08 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.783 0.325 . . . . 10.0 110.803 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -69.32 -8.2 44.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.965 179.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 495' ' ' LYS . . . . . 0.715 ' HE3' HD22 ' A' ' 279' ' ' LEU . 48.5 mttp -112.93 -44.28 3.31 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.123 179.182 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 496' ' ' LEU . . . . . 0.403 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 80.5 mt -62.55 -22.32 66.24 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.88 -0.6 . . . . 10.0 111.846 -179.398 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 497' ' ' SER . . . . . 0.528 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 10.4 m -81.41 -65.46 0.25 Allowed Pre-proline 0 C--N 1.325 -0.488 0 C-N-CA 120.786 -0.365 . . . . 10.0 111.868 179.733 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 498' ' ' PRO . . . . . 0.528 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 41.0 Cg_endo -66.44 -45.99 4.52 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 121.66 1.573 . . . . 10.0 112.15 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 499' ' ' LEU . . . . . 0.695 HD21 ' HG2' ' A' ' 275' ' ' LYS . 82.9 mt -72.54 -29.94 64.01 Favored 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 110.077 -0.342 . . . . 10.0 110.077 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 500' ' ' GLY . . . . . 0.43 ' O ' ' HG3' ' D' ' 504' ' ' ARG . . . -65.56 -50.6 53.82 Favored Glycine 0 N--CA 1.442 -0.959 0 N-CA-C 110.479 -1.048 . . . . 10.0 110.479 178.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -65.64 -34.66 78.74 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 109.545 -0.539 . . . . 10.0 109.545 178.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 502' ' ' GLU . . . . . 0.417 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 23.9 tt0 -64.08 -45.61 87.95 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 109.234 -0.654 . . . . 10.0 109.234 178.119 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 503' ' ' MET . . . . . 0.435 ' HA ' ' HD2' ' D' ' 506' ' ' ARG . 74.8 mmm -61.66 -36.05 79.72 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 109.392 -0.595 . . . . 10.0 109.392 178.73 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 504' ' ' ARG . . . . . 0.43 ' HG3' ' O ' ' D' ' 500' ' ' GLY . 95.1 mtt180 -63.56 -46.8 84.25 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.267 -0.642 . . . . 10.0 109.267 178.27 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 505' ' ' ASP . . . . . 0.669 ' HA ' ' HD2' ' D' ' 508' ' ' ARG . 4.3 m-20 -64.3 -39.74 94.54 Favored 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.375 179.305 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 506' ' ' ARG . . . . . 0.435 ' HD2' ' HA ' ' D' ' 503' ' ' MET . 57.9 mtt180 -59.15 -47.2 86.16 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 108.812 -0.811 . . . . 10.0 108.812 178.359 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -62.83 -40.21 96.7 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.492 -0.776 . . . . 10.0 109.635 179.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 508' ' ' ARG . . . . . 0.669 ' HD2' ' HA ' ' D' ' 505' ' ' ASP . 72.5 mtt180 -59.2 -41.34 88.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.246 -0.434 . . . . 10.0 110.435 178.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -68.01 -42.27 80.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.908 -0.587 . . . . 10.0 111.281 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 510' ' ' HIS . . . . . 0.444 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 75.6 m-70 -71.67 -45.27 62.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.827 0.346 . . . . 10.0 110.668 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.35 -42.29 95.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.364 -0.38 . . . . 10.0 110.362 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 512' ' ' ASP . . . . . 0.506 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 12.0 t70 -65.43 -35.52 81.18 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 121.055 0.455 . . . . 10.0 109.917 179.343 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 513' ' ' ALA . . . . . 0.428 ' HB2' ' NZ ' ' A' ' 264' ' ' LYS . . . -66.12 -41.05 91.06 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 108.506 -0.924 . . . . 10.0 108.506 177.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 514' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' D' ' 510' ' ' HIS . 70.6 mt -60.5 -34.4 74.02 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 115.957 -0.565 . . . . 10.0 109.637 178.522 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 515' ' ' ARG . . . . . 0.506 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 82.6 mtt180 -67.35 -23.55 65.62 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.953 -0.567 . . . . 10.0 109.716 178.446 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -103.7 1.5 31.91 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.539 -0.755 . . . . 10.0 110.369 -179.53 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 517' ' ' HIS . . . . . 0.403 ' O ' ' HB2' ' D' ' 521' ' ' TYR . 38.7 m170 -115.59 -64.71 1.28 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.382 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 79.4 mt -65.11 -51.29 62.17 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 115.899 -0.591 . . . . 10.0 112.188 -178.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 519' ' ' ALA . . . . . 0.672 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -53.71 -58.31 13.67 Favored Pre-proline 0 CA--C 1.54 0.592 0 N-CA-C 113.117 0.784 . . . . 10.0 113.117 -179.372 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 520' ' ' PRO . . . . . 0.672 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 38.0 Cg_exo -62.47 -41.27 33.85 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 121.958 1.772 . . . . 10.0 111.543 179.534 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 521' ' ' TYR . . . . . 0.403 ' HB2' ' O ' ' D' ' 517' ' ' HIS . 6.7 t80 -67.45 -34.69 77.71 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.31 -0.405 . . . . 10.0 111.74 -179.274 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 522' ' ' SER . . . . . 0.514 ' O ' ' HG3' ' D' ' 526' ' ' ARG . 94.8 p -64.95 -34.03 77.45 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 121.036 -0.266 . . . . 10.0 110.748 179.448 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 523' ' ' ASP . . . . . 0.489 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 25.6 t70 -69.43 -35.93 76.18 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 109.367 -0.605 . . . . 10.0 109.367 178.504 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -71.32 -35.6 71.29 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 108.236 -1.024 . . . . 10.0 108.236 177.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 525' ' ' LEU . . . . . 0.458 ' O ' ' HG ' ' D' ' 529' ' ' LEU . 28.5 mt -64.96 -34.22 77.91 Favored 'General case' 0 C--O 1.22 -0.49 0 CA-C-N 115.196 -0.911 . . . . 10.0 109.014 177.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 526' ' ' ARG . . . . . 0.514 ' HG3' ' O ' ' D' ' 522' ' ' SER . 82.4 mtt180 -61.09 -35.65 77.55 Favored 'General case' 0 C--O 1.227 -0.107 0 O-C-N 123.471 0.482 . . . . 10.0 109.784 178.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -64.7 -40.12 94.82 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 108.671 -0.863 . . . . 10.0 108.671 178.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 528' ' ' ARG . . . . . 0.706 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 93.3 mtt180 -71.48 -46.41 59.95 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.751 -1.113 . . . . 10.0 109.849 179.432 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 529' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' D' ' 525' ' ' LEU . 95.1 mt -59.4 -39.53 83.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.62 179.393 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -62.89 -46.79 86.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 10.0 110.166 179.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -65.37 -41.62 93.58 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.183 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -64.33 -45.33 88.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.017 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 55.8 mt -65.85 -37.64 86.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.058 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 534' ' ' GLU . . . . . 0.536 ' HA ' ' HE3' ' D' ' 537' ' ' LYS . 26.3 tt0 -64.46 -40.05 94.98 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 115.928 -0.578 . . . . 10.0 109.523 178.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -64.37 -42.99 95.9 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 108.571 -0.899 . . . . 10.0 108.571 178.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 95.4 mt -65.19 -26.78 68.29 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.615 -0.721 . . . . 10.0 110.629 179.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 537' ' ' LYS . . . . . 0.536 ' HE3' ' HA ' ' D' ' 534' ' ' GLU . 47.6 mtmt -80.4 -37.69 31.74 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.866 -0.42 . . . . 10.0 109.866 178.362 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -70.67 -56.78 5.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 10.0 109.948 178.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 10.4 m-20 -66.55 -36.04 81.69 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.34 -0.615 . . . . 10.0 109.34 179.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -66.2 -41.0 95.08 Favored Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 111.17 -0.772 . . . . 10.0 111.17 179.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -63.35 -43.06 98.92 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 110.215 -1.154 . . . . 10.0 110.215 178.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -63.88 -46.52 84.54 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.938 -0.764 . . . . 10.0 108.938 178.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 53.2 mtt180 -58.5 -37.27 75.23 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.609 179.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 52.2 mt -64.68 -40.9 96.18 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.755 -0.461 . . . . 10.0 109.755 179.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -68.13 -43.46 78.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.836 -0.62 . . . . 10.0 109.418 178.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 546' ' ' GLU . . . . . 0.414 ' O ' ' HB2' ' D' ' 550' ' ' LYS . 33.1 mt-10 -62.21 -43.48 98.73 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 115.785 -0.643 . . . . 10.0 109.519 178.335 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -62.51 -41.27 98.72 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-N 115.852 -0.613 . . . . 10.0 109.486 178.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -62.34 -51.1 68.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.114 179.349 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -61.66 -51.01 70.22 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.022 -0.536 . . . . 10.0 110.955 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 550' ' ' LYS . . . . . 0.414 ' HB2' ' O ' ' D' ' 546' ' ' GLU . 0.0 OUTLIER -62.59 -31.19 71.98 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.013 -0.539 . . . . 10.0 111.322 -179.933 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -63.29 -41.88 99.01 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.649 -0.5 . . . . 10.0 109.649 178.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.87 -41.26 87.58 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.668 -0.493 . . . . 10.0 109.668 178.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -64.38 -46.35 83.71 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.711 -0.477 . . . . 10.0 109.711 178.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 68.3 t60 -61.4 -40.65 95.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.645 -0.707 . . . . 10.0 109.389 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 10.2 tp -64.54 -43.38 94.16 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.54 -0.755 . . . . 10.0 110.421 179.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 20.0 m -63.19 -41.02 99.12 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.298 178.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 7.4 m -70.15 -28.79 65.64 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.451 -0.574 . . . . 10.0 109.451 178.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 14.8 mt -67.45 -51.26 53.62 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.615 -0.721 . . . . 10.0 110.052 179.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 1.2 p -66.92 -36.02 81.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.758 0.313 . . . . 10.0 110.822 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -58.9 -30.83 68.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.878 -0.601 . . . . 10.0 111.226 179.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 561' ' ' LYS . . . . . 0.744 ' HA ' ' HE3' ' D' ' 561' ' ' LYS . 0.1 OUTLIER -99.25 -40.14 8.09 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 116.351 -0.386 . . . . 10.0 111.044 179.587 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -59.4 -45.21 92.14 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.813 0.671 . . . . 10.0 112.813 -179.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -55.3 -62.64 4.05 Favored Pre-proline 0 N--CA 1.463 0.216 0 N-CA-C 111.898 0.333 . . . . 10.0 111.898 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -61.53 -37.19 72.28 Favored 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 121.5 1.466 . . . . 10.0 111.616 179.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -61.23 -50.28 73.73 Favored 'General case' 0 C--O 1.22 -0.492 0 C-N-CA 121.362 -0.135 . . . . 10.0 110.682 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 42.6 mt -60.26 -43.74 95.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.68 0.276 . . . . 10.0 110.921 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -64.62 -52.26 58.38 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.209 0.528 . . . . 10.0 110.635 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -65.21 -40.06 93.63 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.828 -0.624 . . . . 10.0 112.365 -178.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 52.3 mt -62.98 -45.27 93.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.775 0.321 . . . . 10.0 110.354 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 570' ' ' ARG . . . . . 0.437 ' O ' ' HG ' ' D' ' 574' ' ' LEU . 60.6 mtt85 -66.72 -40.6 88.48 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.018 0.437 . . . . 10.0 110.405 179.162 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -66.54 -24.19 66.34 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.223 0.535 . . . . 10.0 110.266 178.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -89.9 -30.67 12.44 Favored Glycine 0 N--CA 1.443 -0.836 0 N-CA-C 110.697 -0.961 . . . . 10.0 110.697 178.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 28.5 mt -68.87 -37.25 78.95 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.533 -0.333 . . . . 10.0 110.881 179.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 574' ' ' LEU . . . . . 0.445 ' O ' ' HG2' ' D' ' 578' ' ' GLU . 96.7 mt -50.28 -61.91 3.23 Favored Pre-proline 0 CA--C 1.536 0.422 0 N-CA-C 112.882 0.697 . . . . 10.0 112.882 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -65.36 -33.55 47.31 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 121.887 1.724 . . . . 10.0 111.345 179.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 4.0 t -65.14 -45.62 93.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.644 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 72.0 mt -60.89 -40.6 93.64 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.465 -0.334 . . . . 10.0 110.102 179.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 578' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' D' ' 574' ' ' LEU . 15.5 mm-40 -64.4 -42.89 95.85 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.654 -0.498 . . . . 10.0 109.654 178.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 46.0 m -63.55 -40.72 97.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.0 -0.545 . . . . 10.0 109.751 178.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -64.47 -42.41 95.93 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.984 -0.553 . . . . 10.0 109.874 178.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -57.79 -49.36 76.87 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.182 178.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 582' ' ' VAL . . . . . 0.402 HG23 ' O ' ' D' ' 578' ' ' GLU . 91.3 t -60.37 -41.92 89.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.577 179.531 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 14.5 m -66.6 -40.06 88.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.677 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -69.82 -41.14 75.37 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.771 179.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 585' ' ' LEU . . . . . 0.403 ' O ' ' HG3' ' D' ' 589' ' ' GLU . 46.8 mt -59.69 -51.33 70.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 10.0 111.088 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 18.3 p -64.08 -30.9 71.94 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.974 0.416 . . . . 10.0 110.659 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 587' ' ' ALA . . . . . 0.474 ' HB2' ' HG2' ' A' ' 396' ' ' LYS . . . -69.92 -51.87 29.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.365 -0.38 . . . . 10.0 110.041 179.078 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 94.9 mt -59.92 -44.41 94.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.052 -0.522 . . . . 10.0 111.648 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 589' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' D' ' 585' ' ' LEU . 44.2 mt-10 -58.82 -53.15 61.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.878 0.37 . . . . 10.0 111.047 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -64.49 -36.46 84.25 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.454 -0.339 . . . . 10.0 111.908 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 3.1 m-30 -61.88 -43.46 98.79 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 116.264 -0.425 . . . . 10.0 110.421 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 9.9 m -65.83 -31.05 71.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.813 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -75.11 -47.72 27.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.22 -0.445 . . . . 10.0 111.012 179.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 594' ' ' LYS . . . . . 0.797 ' HD3' ' HB2' ' A' ' 388' ' ' SER . 0.1 OUTLIER -71.17 -38.03 72.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.312 -179.681 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 44.2 mt -98.68 50.43 0.98 Allowed 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.458 -0.571 . . . . 10.0 109.458 179.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 . . . . . 0 C--N 1.322 -0.599 0 CA-C-N 115.852 -0.613 . . . . 10.0 111.448 -179.29 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 6.8 m . . . . . 0 C--O 1.235 0.305 0 CA-C-O 120.79 0.329 . . . . 10.0 111.008 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.45 128.34 34.53 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 121.144 -0.222 . . . . 10.0 110.427 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -92.69 133.03 36.41 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.738 -0.468 . . . . 10.0 109.738 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -130.48 114.46 15.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.988 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.474 ' HA ' ' HB3' ' B' ' 54' ' ' ASP . 47.3 mttm -86.65 111.43 20.65 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.8 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.585 ' O ' ' HA ' ' B' ' 55' ' ' ILE . 20.6 mt -117.95 122.98 44.65 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.522 -179.144 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . 0.401 HG11 ' CD2' ' B' ' 71' ' ' TYR . 54.5 t -104.8 125.53 59.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-O 120.865 0.364 . . . . 10.0 110.925 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.519 ' HA ' ' HB3' ' B' ' 79' ' ' LEU . 21.3 t -85.61 119.62 34.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 108.92 -0.771 . . . . 10.0 108.92 179.394 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.0 m -125.9 151.81 32.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.964 0.411 . . . . 10.0 111.596 -178.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 156.18 176.31 28.15 Favored Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 115.808 -0.633 . . . . 10.0 111.533 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.74 -169.27 0.54 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.232 0.539 . . . . 10.0 111.993 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -94.69 152.93 18.07 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.608 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 70.27 16.72 73.52 Favored Glycine 0 N--CA 1.45 -0.376 0 CA-C-N 115.885 -0.598 . . . . 10.0 112.985 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.438 ' HA ' ' HB2' ' B' ' 83' ' ' ALA . 33.7 m -93.1 -22.09 5.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.752 0.311 . . . . 10.0 111.113 -179.697 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 101.12 22.36 10.78 Favored Glycine 0 CA--C 1.52 0.347 0 C-N-CA 120.987 -0.625 . . . . 10.0 114.516 179.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . 0.491 ' HD2' HG12 ' B' ' 8' ' ' VAL . 31.2 mtmm -54.07 -56.93 13.39 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 117.248 0.524 . . . . 10.0 112.049 179.733 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 49.2 m -63.41 -50.08 71.22 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.08 -0.509 . . . . 10.0 112.322 -179.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.14 -48.38 73.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.62 -0.264 . . . . 10.0 111.356 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 54.6 tp -58.01 -38.32 75.94 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.921 0.391 . . . . 10.0 110.59 179.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 30.6 m -69.66 -42.28 74.41 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.421 179.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 98.9 mt -66.37 -34.85 72.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.968 -0.56 . . . . 10.0 110.431 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' GLN . . . . . 0.673 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 17.4 mm-40 -61.27 -23.54 65.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.889 -0.596 . . . . 10.0 111.027 179.186 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.403 ' O ' ' HE2' ' B' ' 42' ' ' LYS . 11.3 tp -96.7 -40.14 9.13 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.367 -0.379 . . . . 10.0 111.248 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.496 ' HA ' ' HD2' ' B' ' 42' ' ' LYS . 40.0 mm -72.06 -65.31 0.67 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.368 0 CA-C-N 116.255 -0.429 . . . . 10.0 112.11 -179.211 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -90.71 -16.96 27.58 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.102 0.477 . . . . 10.0 111.084 -178.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . 0.673 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 58.8 m-80 69.74 55.13 0.36 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.324 -0.853 . . . . 10.0 113.115 179.028 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -166.09 165.66 17.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.383 -0.371 . . . . 10.0 111.012 179.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' PHE . . . . . 0.506 ' HB2' ' NE2' ' B' ' 22' ' ' GLN . 64.6 t80 -106.48 142.98 35.25 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.385 0.612 . . . . 10.0 112.079 -179.104 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 2.0 m -102.81 105.18 17.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.361 -0.836 . . . . 10.0 109.546 179.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -65.26 -45.65 83.68 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.002 -0.544 . . . . 10.0 111.45 -179.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -70.36 150.79 45.93 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.246 -0.434 . . . . 10.0 110.274 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -94.81 137.0 34.46 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.527 -179.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -142.58 103.86 5.42 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.135 178.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -52.06 120.15 6.8 Favored 'Trans proline' 0 CA--C 1.529 0.257 0 C-N-CA 122.851 2.367 . . . . 10.0 111.267 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.9 116.28 27.69 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.584 -0.28 . . . . 10.0 110.797 -178.558 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.734 ' HA ' ' HB2' ' B' ' 59' ' ' ALA . 43.3 mm -83.2 -43.58 18.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 123.663 0.602 . . . . 10.0 111.243 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . 0.457 ' HG2' HD11 ' B' ' 56' ' ' LEU . 4.9 tt0 -162.84 109.31 1.2 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.853 0.359 . . . . 10.0 111.302 -179.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . 0.403 ' HB3' ' CE1' ' B' ' 40' ' ' TYR . 0.3 OUTLIER -124.63 136.57 54.04 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.441 -0.345 . . . . 10.0 110.469 179.743 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 10.8 m -106.49 130.25 54.31 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.675 0.274 . . . . 10.0 111.306 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' TYR . . . . . 0.403 ' CE1' ' HB3' ' B' ' 38' ' ' ASP . 99.4 m-85 -130.71 124.73 32.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.414 -0.357 . . . . 10.0 110.551 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -117.98 129.82 55.82 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.793 0.33 . . . . 10.0 111.098 179.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . 0.496 ' HD2' ' HA ' ' B' ' 24' ' ' ILE . 45.6 tttp -143.41 136.16 27.5 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.462 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -101.04 114.09 27.7 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.279 -0.418 . . . . 10.0 109.976 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 15.4 m -131.99 169.02 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.059 0.457 . . . . 10.0 111.089 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 84.6 t -102.75 119.29 50.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 109.64 -0.504 . . . . 10.0 109.64 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 49.3 mt -120.48 118.57 57.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.681 -0.236 . . . . 10.0 110.41 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . 0.474 ' OD2' ' HD3' ' B' ' 161' ' ' ARG . 30.8 m-20 61.24 23.79 13.97 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 116.027 -0.533 . . . . 10.0 111.972 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.0 4.24 72.28 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.82 -0.705 . . . . 10.0 112.113 -179.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -115.65 118.75 33.95 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.947 -0.39 . . . . 10.0 109.947 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -68.23 119.39 12.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.56 -0.291 . . . . 10.0 110.276 179.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 28.4 m -125.14 142.38 51.53 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.14 0.495 . . . . 10.0 112.165 -179.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 47.7 tp -100.22 110.24 22.5 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 107.743 -1.206 . . . . 10.0 107.743 178.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 80.0 mt -84.59 120.95 26.94 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 112.88 0.696 . . . . 10.0 112.88 -177.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . 0.474 ' HB3' ' HA ' ' B' ' 5' ' ' LYS . 19.9 t0 -102.63 77.63 1.63 Allowed 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 107.143 -1.428 . . . . 10.0 107.143 177.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' ILE . . . . . 0.585 ' HA ' ' O ' ' B' ' 6' ' ' LEU . 72.0 mt -87.37 131.86 34.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.345 -0.843 . . . . 10.0 112.192 -177.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.457 HD11 ' HG2' ' B' ' 37' ' ' GLU . 44.0 tp -119.14 116.44 26.34 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.479 -0.782 . . . . 10.0 110.857 179.41 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -91.46 113.64 25.96 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.369 -0.975 . . . . 10.0 108.369 178.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 39.1 p -100.56 -177.91 3.63 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.559 0.577 . . . . 10.0 112.559 -178.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' ALA . . . . . 0.734 ' HB2' ' HA ' ' B' ' 36' ' ' ILE . . . -81.19 -176.35 5.93 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.336 0.588 . . . . 10.0 111.909 -179.417 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -151.49 28.56 0.96 Allowed Glycine 0 N--CA 1.445 -0.738 0 N-CA-C 110.351 -1.1 . . . . 10.0 110.351 179.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 -100.78 8.55 43.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.353 -0.423 . . . . 10.0 111.653 -179.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.724 ' HG3' ' H ' ' B' ' 63' ' ' GLU . 11.1 tp10 59.57 -152.75 0.39 Allowed 'General case' 0 N--CA 1.466 0.33 0 O-C-N 123.706 0.629 . . . . 10.0 110.121 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . 0.724 ' H ' ' HG3' ' B' ' 62' ' ' GLU . 0.5 OUTLIER 72.93 -49.55 0.7 Allowed 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 112.851 0.686 . . . . 10.0 112.851 179.273 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' TYR . . . . . 0.535 ' HB3' ' HB3' ' B' ' 67' ' ' MET . 4.5 m-85 -76.87 81.36 3.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.915 0.388 . . . . 10.0 111.919 -179.403 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 17.8 m -84.62 -31.92 23.99 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.106 0.479 . . . . 10.0 110.325 179.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.13 -39.48 33.48 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.736 -0.665 . . . . 10.0 110.865 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . 0.535 ' HB3' ' HB3' ' B' ' 64' ' ' TYR . 23.6 ttt -65.52 -39.36 91.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.097 0.475 . . . . 10.0 109.951 179.058 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' ARG . . . . . 0.663 ' HA ' ' CE1' ' B' ' 71' ' ' TYR . 26.8 ttp180 -62.26 -40.94 97.89 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 115.625 -0.716 . . . . 10.0 110.316 179.447 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -60.13 -38.04 81.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.706 -0.679 . . . . 10.0 110.437 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -62.77 -58.86 5.97 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.022 -0.536 . . . . 10.0 112.355 -178.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' TYR . . . . . 0.663 ' CE1' ' HA ' ' B' ' 68' ' ' ARG . 10.5 p90 -67.28 -19.65 65.52 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 113.704 1.001 . . . . 10.0 113.704 -178.006 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . 0.551 ' HA ' ' HZ ' ' B' ' 78' ' ' PHE . 35.4 mtt -70.37 -24.47 62.97 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.149 0.499 . . . . 10.0 110.898 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -77.01 -49.78 14.64 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.0 -0.546 . . . . 10.0 110.152 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.37 -37.72 83.62 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.555 -0.748 . . . . 10.0 111.826 -179.315 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.63 125.47 20.15 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.896 -0.669 . . . . 10.0 112.323 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -88.75 -41.35 12.6 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.264 0.554 . . . . 10.0 109.677 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' GLY . . . . . 0.417 ' O ' ' HA ' ' B' ' 6' ' ' LEU . . . -117.0 145.76 18.75 Favored Glycine 0 N--CA 1.443 -0.849 0 N-CA-C 110.284 -1.126 . . . . 10.0 110.284 178.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . 0.551 ' HZ ' ' HA ' ' B' ' 72' ' ' MET . 80.3 m-85 -120.9 142.18 49.93 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.179 0.514 . . . . 10.0 112.105 -178.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.519 ' HB3' ' HA ' ' B' ' 8' ' ' VAL . 12.3 tp -113.06 97.27 6.41 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.535 -0.757 . . . . 10.0 110.126 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . 0.54 ' HB3' HD12 ' B' ' 93' ' ' ILE . 29.8 m -79.42 97.87 6.54 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.145 -0.479 . . . . 10.0 110.147 179.25 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 48.0 t -105.05 121.47 57.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.871 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 82' ' ' PHE . . . . . 0.409 ' HB3' HD11 ' B' ' 93' ' ' ILE . 38.5 p90 -130.32 165.67 21.99 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.667 -0.697 . . . . 10.0 110.279 179.119 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.438 ' HB2' ' HA ' ' B' ' 14' ' ' VAL . . . -101.98 127.92 48.63 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.169 -0.678 . . . . 10.0 109.169 178.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 43.9 pt -68.27 -8.72 9.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.926 0.393 . . . . 10.0 111.638 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -102.86 8.99 39.13 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.423 179.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 38.1 t-20 -135.13 115.96 14.0 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.506 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.01 -30.15 62.31 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.772 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -59.83 -42.61 93.95 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.849 179.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . 0.419 ' O ' HG12 ' B' ' 93' ' ' ILE . 0.9 OUTLIER -68.28 -34.67 76.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 10.0 111.414 -179.705 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -65.67 -43.87 87.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.66 0.267 . . . . 10.0 111.377 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -70.25 -31.2 68.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.361 -0.381 . . . . 10.0 110.277 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.51 -32.09 72.11 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.809 -0.632 . . . . 10.0 111.243 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 93' ' ' ILE . . . . . 0.54 HD12 ' HB3' ' B' ' 80' ' ' CYS . 51.8 mm -58.53 -38.13 68.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.001 -0.545 . . . . 10.0 111.086 -179.516 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -65.52 -51.37 60.47 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.997 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -63.49 -34.46 77.81 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.875 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 96' ' ' TYR . . . . . 0.499 ' O ' HG13 ' B' ' 100' ' ' ILE . 2.2 m-85 -69.89 -41.83 74.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.45 179.212 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 47.0 ttt-85 -64.93 -41.7 95.31 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.537 -179.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -59.56 -40.09 86.18 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.374 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 99' ' ' GLN . . . . . 0.451 ' O ' HG23 ' B' ' 103' ' ' VAL . 47.4 tt0 -66.29 -43.09 87.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.359 -0.382 . . . . 10.0 110.998 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . 0.499 HG13 ' O ' ' B' ' 96' ' ' TYR . 77.3 mt -54.52 -45.63 70.95 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 CA-C-O 121.282 0.563 . . . . 10.0 110.696 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 101' ' ' LYS . . . . . 0.475 ' HB2' ' HE3' ' B' ' 101' ' ' LYS . 38.4 mtmt -59.81 -39.38 84.83 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.659 -0.7 . . . . 10.0 111.902 -179.553 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 7.3 tmm_? -74.51 -43.77 54.4 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.39 -0.368 . . . . 10.0 111.507 -179.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 103' ' ' VAL . . . . . 0.451 HG23 ' O ' ' B' ' 99' ' ' GLN . 93.0 t -61.66 -45.97 97.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.1 -0.5 . . . . 10.0 112.185 -179.451 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . 0.479 ' HD2' ' HE2' ' B' ' 78' ' ' PHE . 26.8 mtpp -85.72 -7.24 58.91 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.937 0.347 . . . . 10.0 111.937 -179.019 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 4.3 t70 59.6 50.66 7.08 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 123.695 0.622 . . . . 10.0 111.44 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 58.0 m -156.56 131.89 9.29 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.016 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -73.62 -28.32 61.74 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.302 -0.629 . . . . 10.0 109.302 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -90.12 119.16 30.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.315 -0.857 . . . . 10.0 111.056 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 4.6 t -133.05 112.97 13.46 Favored Pre-proline 0 C--O 1.239 0.533 0 CA-C-N 115.817 -0.628 . . . . 10.0 110.203 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.73 106.36 1.08 Allowed 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 122.512 2.141 . . . . 10.0 111.371 179.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 59.0 mtm -147.09 161.35 41.02 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.297 -179.214 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 93.4 t -133.73 134.15 56.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.153 -0.684 . . . . 10.0 109.153 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' B' ' 113' ' ' LEU . 13.3 tp -77.53 124.85 28.45 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.997 -0.371 . . . . 10.0 109.997 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 95.7 t -120.53 122.87 69.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.308 -0.405 . . . . 10.0 111.136 -179.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -114.36 111.36 2.56 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 110.304 -1.118 . . . . 10.0 110.304 178.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 116' ' ' ASN . . . . . 0.575 ' HA ' ' O ' ' B' ' 144' ' ' THR . 63.4 t30 -97.81 165.22 12.05 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.576 0.227 . . . . 10.0 110.768 -179.149 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . 0.457 ' HB3' HD12 ' B' ' 120' ' ' LEU . 53.6 mttt 72.28 28.42 2.38 Favored 'General case' 0 C--O 1.232 0.17 0 N-CA-C 112.734 0.642 . . . . 10.0 112.734 179.21 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 79.3 m -65.89 -15.88 63.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.948 0.404 . . . . 10.0 111.517 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -82.85 -3.12 56.42 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.159 -0.473 . . . . 10.0 111.492 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . 0.457 HD12 ' HB3' ' B' ' 117' ' ' LYS . 17.7 mt -79.82 142.09 56.2 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.418 -0.355 . . . . 10.0 110.104 178.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -74.94 141.29 26.63 Favored 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 122.535 2.157 . . . . 10.0 112.359 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 16.5 m 58.32 78.42 0.25 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.522 -0.763 . . . . 10.0 112.536 179.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 12.6 ptp180 -87.2 137.83 32.01 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.451 -0.341 . . . . 10.0 110.249 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 10.5 m -75.15 -53.48 8.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.653 0.263 . . . . 10.0 110.467 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 60.9 t -81.52 103.21 8.28 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 N-CA-C 109.726 -0.472 . . . . 10.0 109.726 179.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -75.18 164.2 26.73 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.827 -0.624 . . . . 10.0 110.479 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . 0.576 HG22 ' HE2' ' B' ' 141' ' ' PHE . 0.0 OUTLIER -65.06 -39.62 93.53 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 112.355 0.502 . . . . 10.0 112.355 -179.141 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 39.6 pttt -52.24 -48.64 65.07 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 113.732 1.012 . . . . 10.0 113.732 -178.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.56 -42.36 95.73 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.06 0.393 . . . . 10.0 112.06 -179.301 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -71.15 -36.87 72.22 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.223 -0.444 . . . . 10.0 111.09 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . 0.461 ' HB3' ' NH1' ' C' ' 161' ' ' ARG . 94.9 mt-30 -66.36 -47.88 71.98 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.307 -0.406 . . . . 10.0 111.154 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -64.36 -35.66 81.59 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.786 0.327 . . . . 10.0 110.759 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 18.6 tp -65.7 -42.07 91.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.161 0.505 . . . . 10.0 110.263 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.83 -31.15 71.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.773 -0.649 . . . . 10.0 110.58 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -60.77 -42.42 97.45 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.682 -0.69 . . . . 10.0 110.685 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 17.0 m -67.91 -28.8 67.81 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.061 0.458 . . . . 10.0 111.903 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -85.64 -24.16 27.2 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.413 -0.358 . . . . 10.0 111.249 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 84.68 34.6 15.5 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.965 -0.636 . . . . 10.0 111.582 -179.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 47.1 pt -128.53 158.05 73.0 Favored Pre-proline 0 C--N 1.327 -0.389 0 N-CA-C 110.182 -0.303 . . . . 10.0 110.182 -179.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -87.55 157.95 7.85 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.525 2.15 . . . . 10.0 112.122 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 141' ' ' PHE . . . . . 0.576 ' HE2' HG22 ' B' ' 127' ' ' THR . 45.2 t80 -133.86 114.13 12.99 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.957 -0.565 . . . . 10.0 109.795 179.455 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 40.2 mt -117.53 130.42 72.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.506 -0.316 . . . . 10.0 110.399 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -65.01 136.18 56.48 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 108.896 -0.779 . . . . 10.0 108.896 178.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 144' ' ' THR . . . . . 0.575 ' O ' ' HA ' ' B' ' 116' ' ' ASN . 26.0 m -130.23 147.19 51.93 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.366 0.603 . . . . 10.0 112.476 -177.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 40.0 t -143.63 102.64 3.96 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.897 -0.779 . . . . 10.0 108.897 177.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 146' ' ' ALA . . . . . 0.413 ' HB1' ' HG3' ' B' ' 22' ' ' GLN . . . -68.66 -32.39 72.18 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.069 0.461 . . . . 10.0 110.205 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 31.1 tttp -54.71 -41.75 70.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.463 -0.79 . . . . 10.0 111.916 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.82 11.7 24.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.421 . . . . 10.0 111.817 -179.241 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 50.5 60.28 3.96 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.389 0.614 . . . . 10.0 111.476 -179.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -130.61 119.76 22.98 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.82 -0.627 . . . . 10.0 111.375 -178.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 80.77 -4.8 67.76 Favored Glycine 0 C--O 1.229 -0.188 0 C-N-CA 121.195 -0.526 . . . . 10.0 113.214 178.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 31.6 t -63.59 -55.95 19.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.064 0.459 . . . . 10.0 110.822 -179.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -63.34 -39.59 94.96 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.748 -0.66 . . . . 10.0 111.673 -179.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -57.99 -52.14 66.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.152 -179.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.23 -43.91 95.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 10.0 111.702 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -61.2 -42.96 99.51 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.121 -0.491 . . . . 10.0 111.344 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 21.8 m-30 -67.82 -42.54 81.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.344 -0.389 . . . . 10.0 110.264 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 158' ' ' THR . . . . . 0.441 ' O ' ' HG2' ' B' ' 162' ' ' GLU . 94.2 m -60.4 -39.84 88.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.092 -0.504 . . . . 10.0 111.167 179.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 159' ' ' LEU . . . . . 0.436 HD22 HD13 ' B' ' 79' ' ' LEU . 20.9 tp -57.13 -46.49 82.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.096 0.474 . . . . 10.0 111.09 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 53.6 t -74.05 -34.77 39.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.258 0.551 . . . . 10.0 110.409 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 161' ' ' ARG . . . . . 0.474 ' HD3' ' OD2' ' B' ' 47' ' ' ASP . 10.3 ttp180 -62.05 -41.73 98.45 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.637 -0.71 . . . . 10.0 111.293 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 162' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' B' ' 158' ' ' THR . 35.9 mm-40 -61.4 -35.82 78.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.783 0.325 . . . . 10.0 110.924 179.293 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 66.2 mt -66.58 -41.53 88.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 109.707 -0.479 . . . . 10.0 109.707 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 38.0 ttm105 -70.27 -32.56 70.44 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.077 -0.511 . . . . 10.0 110.082 179.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt . . . . . 0 C--N 1.331 -0.218 0 CA-C-N 115.895 -0.593 . . . . 10.0 109.949 179.143 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 121.059 0.457 . . . . 10.0 110.973 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 2' ' ' THR . . . . . 0.502 ' HB ' ' CE2' ' C' ' 4' ' ' TYR . 0.0 OUTLIER -77.23 130.12 36.82 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.674 -179.563 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -97.67 134.97 40.14 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.354 -0.385 . . . . 10.0 110.201 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 4' ' ' TYR . . . . . 0.502 ' CE2' ' HB ' ' C' ' 2' ' ' THR . 95.8 m-85 -126.18 117.67 23.6 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.287 -0.415 . . . . 10.0 109.949 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 5' ' ' LYS . . . . . 0.567 ' HA ' ' HB3' ' C' ' 54' ' ' ASP . 51.5 mttm -82.41 114.56 20.94 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.067 -0.515 . . . . 10.0 111.323 -179.358 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . 0.634 HD22 ' HG ' ' C' ' 159' ' ' LEU . 11.5 mt -110.71 117.24 32.94 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.595 -0.729 . . . . 10.0 110.758 -178.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . 0.412 HG12 HG13 ' C' ' 9' ' ' VAL . 48.0 t -102.54 117.67 48.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 120.743 0.306 . . . . 10.0 110.884 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.601 HG12 ' HD2' ' C' ' 16' ' ' LYS . 24.6 t -87.61 111.67 22.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 109.507 -0.553 . . . . 10.0 109.507 179.576 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . 0.412 HG13 HG12 ' C' ' 7' ' ' VAL . 11.7 m -119.54 154.98 22.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.433 -0.349 . . . . 10.0 111.137 -179.202 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 154.72 -176.2 32.55 Favored Glycine 0 N--CA 1.443 -0.873 0 N-CA-C 110.889 -0.884 . . . . 10.0 110.889 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.1 -173.3 1.25 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.029 0.442 . . . . 10.0 111.753 -179.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -97.62 143.86 27.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 68.57 26.22 74.52 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.864 -0.684 . . . . 10.0 112.678 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 26.8 m -99.41 -12.19 8.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 111.983 0.364 . . . . 10.0 111.983 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . 0.543 ' HA3' ' ND2' ' C' ' 116' ' ' ASN . . . 105.33 23.38 7.66 Favored Glycine 0 CA--C 1.516 0.097 0 C-N-CA 120.825 -0.702 . . . . 10.0 113.246 179.509 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . 0.601 ' HD2' HG12 ' C' ' 8' ' ' VAL . 12.4 mtmm -62.0 -42.5 99.22 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.981 0.42 . . . . 10.0 111.937 -179.535 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 46.1 m -85.45 -34.91 21.55 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.323 -0.399 . . . . 10.0 111.29 -178.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.82 -43.72 90.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.015 0.436 . . . . 10.0 110.252 179.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 19' ' ' LEU . . . . . 0.531 HD23 HG13 ' C' ' 152' ' ' VAL . 0.9 OUTLIER -61.3 -49.62 76.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.78 -0.646 . . . . 10.0 110.535 179.337 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 4.5 m -64.06 -45.93 86.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.859 -0.61 . . . . 10.0 112.368 -179.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 97.4 mt -62.76 -37.72 79.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 CA-C-O 120.786 0.327 . . . . 10.0 110.996 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 22' ' ' GLN . . . . . 0.576 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 8.2 mm-40 -65.34 -16.7 63.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.903 0.382 . . . . 10.0 110.703 179.124 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . 0.411 ' HA ' HH21 ' C' ' 149' ' ' ARG . 2.6 tp -98.7 -42.97 6.99 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.954 0.407 . . . . 10.0 110.931 179.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 24' ' ' ILE . . . . . 0.483 HD11 HD12 ' C' ' 55' ' ' ILE . 50.8 mm -74.07 -58.94 3.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.842 -0.617 . . . . 10.0 112.092 -179.001 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -95.88 -17.67 20.92 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.646 0.26 . . . . 10.0 111.558 -179.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 26' ' ' ASN . . . . . 0.576 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 3.5 t-20 67.99 49.2 0.91 Allowed 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 113.496 0.924 . . . . 10.0 113.496 177.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 9.1 p80 -153.17 151.76 30.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.488 -0.324 . . . . 10.0 110.345 178.221 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -92.5 131.4 37.67 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.384 0.611 . . . . 10.0 111.806 -179.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 21.3 t -97.13 114.79 35.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.607 -0.724 . . . . 10.0 109.074 178.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -72.35 -33.29 67.17 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.338 -0.392 . . . . 10.0 110.603 -179.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -79.45 161.22 26.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 10.0 111.367 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -106.0 120.36 41.56 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.344 -0.389 . . . . 10.0 110.312 179.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . 0.429 ' OD2' HG23 ' C' ' 35' ' ' THR . 24.3 t70 -114.12 111.75 47.41 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 116.467 -0.333 . . . . 10.0 111.271 179.523 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -72.74 78.06 2.15 Favored 'Trans proline' 0 N--CA 1.461 -0.398 0 C-N-CA 122.828 2.352 . . . . 10.0 111.005 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 35' ' ' THR . . . . . 0.429 HG23 ' OD2' ' C' ' 33' ' ' ASP . 0.0 OUTLIER -71.34 121.9 19.34 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.673 -0.694 . . . . 10.0 111.288 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 43.5 mm -71.31 -46.56 64.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 O-C-N 123.7 0.625 . . . . 10.0 110.007 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -166.83 101.67 0.56 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.329 -0.851 . . . . 10.0 109.295 -179.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -119.34 115.33 23.9 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.842 0.353 . . . . 10.0 111.597 -178.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.25 145.37 24.72 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.269 179.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -138.03 140.41 40.09 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.41 -0.359 . . . . 10.0 110.28 179.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . 0.487 ' HA ' ' O ' ' C' ' 53' ' ' LEU . 0.9 OUTLIER -118.05 136.61 53.44 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.871 -179.849 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 42' ' ' LYS . . . . . 0.502 ' HB3' HD12 ' C' ' 53' ' ' LEU . 40.0 tttp -151.52 125.41 9.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.342 -0.39 . . . . 10.0 110.532 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -98.4 115.35 28.3 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.517 -0.549 . . . . 10.0 109.517 179.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 2.0 m -135.5 164.44 32.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.95 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 68.9 t -103.47 104.25 16.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 109.473 -0.566 . . . . 10.0 109.473 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 34.4 mt -112.8 131.31 64.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.719 -0.673 . . . . 10.0 109.513 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 61.97 20.31 11.44 Favored 'General case' 0 C--N 1.328 -0.33 0 O-C-N 123.675 0.61 . . . . 10.0 110.279 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.84 7.63 85.45 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.935 -0.65 . . . . 10.0 111.99 -178.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -115.2 127.1 55.3 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.782 0.325 . . . . 10.0 110.625 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -68.88 114.5 7.25 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.705 -0.85 . . . . 10.0 108.705 178.359 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 18.2 m -121.56 148.19 44.83 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.056 0.455 . . . . 10.0 111.866 -178.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 65.4 tp -107.67 120.52 42.46 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 108.564 -0.902 . . . . 10.0 108.564 178.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . 0.502 HD12 ' HB3' ' C' ' 42' ' ' LYS . 22.0 mt -88.19 120.6 29.7 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 112.484 0.55 . . . . 10.0 112.484 -178.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . 0.567 ' HB3' ' HA ' ' C' ' 5' ' ' LYS . 28.4 t70 -106.65 74.65 1.02 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 106.918 -1.512 . . . . 10.0 106.918 177.141 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 55' ' ' ILE . . . . . 0.483 HD12 HD11 ' C' ' 24' ' ' ILE . 8.5 mt -79.4 143.55 12.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.397 -0.82 . . . . 10.0 112.394 -177.258 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 24.9 tp -133.14 107.59 8.29 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.596 -0.729 . . . . 10.0 110.697 179.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -86.86 116.75 25.14 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.275 -0.639 . . . . 10.0 109.275 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 70.6 p -105.8 174.18 5.99 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.02 0.378 . . . . 10.0 112.02 -178.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -94.8 140.06 30.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.413 -0.358 . . . . 10.0 110.118 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -111.48 36.54 4.14 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.577 -0.82 . . . . 10.0 112.376 -179.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -103.27 22.49 14.04 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.981 0.42 . . . . 10.0 110.814 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 62' ' ' GLU . . . . . 0.484 ' HB3' ' H ' ' C' ' 63' ' ' GLU . 34.7 mm-40 59.62 -154.82 0.36 Allowed 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.373 -0.83 . . . . 10.0 111.755 -179.539 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 63' ' ' GLU . . . . . 0.484 ' H ' ' HB3' ' C' ' 62' ' ' GLU . 0.7 OUTLIER 73.7 -46.77 0.64 Allowed 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.29 0.636 . . . . 10.0 112.069 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 64' ' ' TYR . . . . . 0.764 ' HB3' ' HB3' ' C' ' 67' ' ' MET . 51.6 m-85 -76.19 65.79 2.22 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.253 0.464 . . . . 10.0 112.253 -179.05 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.87 -40.87 62.92 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 121.037 0.446 . . . . 10.0 110.218 179.108 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -77.46 -40.24 43.89 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.92 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 67' ' ' MET . . . . . 0.764 ' HB3' ' HB3' ' C' ' 64' ' ' TYR . 19.1 ttt -63.61 -38.32 90.67 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.325 0.584 . . . . 10.0 110.087 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 68' ' ' ARG . . . . . 0.612 ' HA ' ' CZ ' ' C' ' 71' ' ' TYR . 22.8 ttp180 -62.36 -34.93 77.62 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.862 -0.608 . . . . 10.0 110.52 179.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 69' ' ' ASP . . . . . 0.42 ' OD1' HG22 ' C' ' 103' ' ' VAL . 8.6 t70 -70.41 -23.84 62.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.514 -0.766 . . . . 10.0 111.154 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -81.12 -56.32 4.17 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.652 0.612 . . . . 10.0 112.652 -179.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 71' ' ' TYR . . . . . 0.612 ' CZ ' ' HA ' ' C' ' 68' ' ' ARG . 5.2 p90 -66.48 -23.54 66.28 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 113.033 0.753 . . . . 10.0 113.033 -178.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 72' ' ' MET . . . . . 0.476 ' HA ' ' HE1' ' C' ' 78' ' ' PHE . 41.7 mtt -78.32 -8.56 58.55 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.409 0.623 . . . . 10.0 110.671 178.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 16.4 ttm180 -86.61 -49.64 7.38 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.095 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -75.57 -32.06 60.25 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.248 0.462 . . . . 10.0 112.248 -179.293 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.39 144.37 47.34 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 121.091 -0.576 . . . . 10.0 113.188 -179.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -101.13 -62.49 1.24 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.901 0.382 . . . . 10.0 110.147 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -97.4 129.48 9.91 Favored Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 111.105 -0.798 . . . . 10.0 111.105 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 78' ' ' PHE . . . . . 0.476 ' HE1' ' HA ' ' C' ' 72' ' ' MET . 93.4 m-85 -107.62 126.48 52.62 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.008 0.432 . . . . 10.0 111.522 -179.091 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 79' ' ' LEU . . . . . 0.749 HD13 HD22 ' C' ' 159' ' ' LEU . 14.5 tp -97.88 104.54 16.58 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.587 -0.733 . . . . 10.0 109.644 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 80' ' ' CYS . . . . . 0.47 ' HB3' HD12 ' C' ' 93' ' ' ILE . 1.7 m -84.49 88.53 7.31 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.366 -0.379 . . . . 10.0 110.108 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 57.2 t -92.67 116.57 34.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.046 0.45 . . . . 10.0 110.925 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 82' ' ' PHE . . . . . 0.858 ' HB2' ' HB2' ' C' ' 89' ' ' SER . 7.2 p90 -132.22 145.55 51.4 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.008 -0.542 . . . . 10.0 110.63 179.148 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 83' ' ' ALA . . . . . 0.607 ' HB1' ' OD1' ' C' ' 85' ' ' ASN . . . -83.56 125.31 31.66 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.52 -0.548 . . . . 10.0 109.52 179.598 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 84' ' ' ILE . . . . . 0.805 HD11 ' HA ' ' C' ' 118' ' ' CYS . 8.9 pt -70.15 -12.41 16.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 112.087 0.403 . . . . 10.0 112.087 -179.227 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 85' ' ' ASN . . . . . 0.607 ' OD1' ' HB1' ' C' ' 83' ' ' ALA . 18.6 p-10 -91.96 -5.65 52.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.053 -0.522 . . . . 10.0 110.613 179.205 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -123.3 112.65 17.87 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.075 0.465 . . . . 10.0 110.066 179.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.3 -31.31 72.43 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.787 -0.642 . . . . 10.0 112.136 -179.135 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 23.0 tptp -61.05 -39.35 89.49 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.23 0.456 . . . . 10.0 112.23 -179.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 89' ' ' SER . . . . . 0.858 ' HB2' ' HB2' ' C' ' 82' ' ' PHE . 0.0 OUTLIER -62.93 -36.83 84.7 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.675 0.274 . . . . 10.0 111.253 179.867 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 90' ' ' PHE . . . . . 0.555 ' HB2' HG21 ' C' ' 125' ' ' VAL . 67.2 t80 -66.47 -39.78 88.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.466 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -67.88 -42.2 81.62 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.396 179.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -63.02 -24.03 67.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.596 -0.729 . . . . 10.0 112.477 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 93' ' ' ILE . . . . . 0.612 HD11 ' HB3' ' C' ' 82' ' ' PHE . 23.5 mm -57.71 -45.63 86.79 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-O 120.917 0.389 . . . . 10.0 110.653 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 65.9 t60 -65.83 -47.93 73.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.181 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -57.57 -41.44 81.09 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.819 -0.628 . . . . 10.0 111.229 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 9.9 m-30 -70.2 -37.26 75.06 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.642 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 97' ' ' ARG . . . . . 0.449 ' HG3' ' SD ' ' C' ' 111' ' ' MET . 28.0 ttt-85 -65.72 -41.0 92.79 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 120.957 0.408 . . . . 10.0 110.474 179.223 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -59.42 -39.12 82.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.568 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 99' ' ' GLN . . . . . 0.525 ' O ' HG23 ' C' ' 103' ' ' VAL . 5.3 tt0 -66.4 -45.33 80.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.107 179.095 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 95.7 mt -55.57 -47.75 78.36 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.599 179.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 101' ' ' LYS . . . . . 0.414 ' HD2' ' HA ' ' C' ' 107' ' ' GLU . 10.9 mtmt -60.85 -35.45 76.61 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.658 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 5.8 tmm_? -71.43 -46.28 60.49 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.894 -0.593 . . . . 10.0 110.935 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 103' ' ' VAL . . . . . 0.525 HG23 ' O ' ' C' ' 99' ' ' GLN . 99.4 t -61.63 -49.66 83.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.048 -0.523 . . . . 10.0 111.497 -179.111 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 17.1 mtpp -87.18 -6.47 58.61 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.638 0.607 . . . . 10.0 112.638 -178.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 22.7 t0 52.24 45.48 28.34 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.228 0.611 . . . . 10.0 111.932 -179.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 67.2 m -150.59 145.75 26.11 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.258 -0.883 . . . . 10.0 109.816 179.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 107' ' ' GLU . . . . . 0.414 ' HA ' ' HD2' ' C' ' 101' ' ' LYS . 17.9 tp10 -86.01 -43.25 13.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.117 0.484 . . . . 10.0 110.068 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -78.7 97.91 6.04 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.472 -0.785 . . . . 10.0 110.758 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 109' ' ' VAL . . . . . 0.439 ' HA ' ' HD3' ' C' ' 110' ' ' PRO . 72.1 t -129.24 130.55 23.37 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 115.899 -0.591 . . . . 10.0 110.502 -179.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 110' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' C' ' 109' ' ' VAL . 26.6 Cg_exo -63.05 107.06 0.59 Allowed 'Trans proline' 0 C--O 1.236 0.379 0 C-N-CA 122.815 2.343 . . . . 10.0 111.432 179.357 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 111' ' ' MET . . . . . 0.449 ' SD ' ' HG3' ' C' ' 97' ' ' ARG . 6.3 mtm -132.99 151.3 52.09 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.576 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 112' ' ' VAL . . . . . 0.507 HG21 ' HA ' ' C' ' 159' ' ' LEU . 46.3 t -128.67 115.53 37.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.069 -0.514 . . . . 10.0 109.739 179.556 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 18.9 tp -82.56 112.29 19.33 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.578 -0.527 . . . . 10.0 109.578 179.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 114' ' ' VAL . . . . . 0.423 HG23 HG12 ' C' ' 112' ' ' VAL . 59.9 t -115.37 124.2 71.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 116.031 -0.531 . . . . 10.0 111.705 -178.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -99.58 113.47 4.73 Favored Glycine 0 N--CA 1.441 -0.985 0 N-CA-C 109.669 -1.373 . . . . 10.0 109.669 178.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 116' ' ' ASN . . . . . 0.543 ' ND2' ' HA3' ' C' ' 15' ' ' GLY . 65.3 t30 -98.71 164.63 12.15 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 117.17 0.485 . . . . 10.0 111.153 -178.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 99.6 mttt 66.45 32.43 7.48 Favored 'General case' 0 C--O 1.233 0.227 0 O-C-N 123.757 0.66 . . . . 10.0 111.426 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 118' ' ' CYS . . . . . 0.805 ' HA ' HD11 ' C' ' 84' ' ' ILE . 67.8 m -73.33 -21.52 60.53 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.747 0.647 . . . . 10.0 112.747 -179.444 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 119' ' ' ASP . . . . . 0.418 ' OD2' ' HD2' ' C' ' 147' ' ' LYS . 1.5 p-10 -84.11 -3.77 58.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.791 0.329 . . . . 10.0 111.666 -179.274 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 29.8 mt -80.34 146.89 63.05 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 116.565 -0.289 . . . . 10.0 110.269 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -70.3 132.78 23.16 Favored 'Trans proline' 0 C--O 1.237 0.454 0 C-N-CA 122.528 2.152 . . . . 10.0 112.629 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 5.1 m 71.92 112.07 0.06 Allowed 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 113.229 0.826 . . . . 10.0 113.229 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 11.0 ptp180 -113.65 138.2 50.53 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.663 -0.699 . . . . 10.0 110.236 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 3.4 p -83.55 -41.9 17.41 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.082 0.468 . . . . 10.0 110.186 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 125' ' ' VAL . . . . . 0.555 HG21 ' HB2' ' C' ' 90' ' ' PHE . 50.4 t -95.22 106.57 18.39 Favored 'Isoleucine or valine' 0 C--O 1.238 0.469 0 N-CA-C 108.725 -0.842 . . . . 10.0 108.725 178.483 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 126' ' ' ASP . . . . . 0.476 ' HB3' ' HG2' ' C' ' 129' ' ' GLN . 14.3 t70 -64.92 147.2 53.81 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.793 -0.639 . . . . 10.0 110.045 179.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.25 -39.24 69.52 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.244 -0.435 . . . . 10.0 111.265 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 128' ' ' LYS . . . . . 0.44 ' HB3' ' HA ' ' B' ' 47' ' ' ASP . 36.6 mtmm -64.6 -44.28 91.09 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.383 0.512 . . . . 10.0 112.383 -178.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 129' ' ' GLN . . . . . 0.476 ' HG2' ' HB3' ' C' ' 126' ' ' ASP . 1.7 pt20 -74.83 -26.93 60.05 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.732 0.301 . . . . 10.0 111.706 -179.359 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 130' ' ' ALA . . . . . 0.495 ' HB2' HG12 ' C' ' 125' ' ' VAL . . . -75.27 -41.33 57.5 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.387 0.613 . . . . 10.0 109.822 179.34 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -74.24 -31.69 62.69 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.728 -0.669 . . . . 10.0 111.328 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 132' ' ' ASP . . . . . 0.488 ' O ' ' HB3' ' C' ' 135' ' ' ARG . 11.1 t70 -59.81 -38.34 81.71 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.151 0.5 . . . . 10.0 110.712 179.01 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 28.4 tp -63.3 -38.83 92.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.793 -0.64 . . . . 10.0 110.334 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 134' ' ' ALA . . . . . 0.473 ' HB1' ' O ' ' C' ' 139' ' ' ILE . . . -68.9 -22.91 64.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.569 -0.741 . . . . 10.0 110.996 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 135' ' ' ARG . . . . . 0.488 ' HB3' ' O ' ' C' ' 132' ' ' ASP . 3.7 tmm_? -62.96 -46.88 85.67 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.064 -0.516 . . . . 10.0 111.166 179.513 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 71.7 m -72.53 -25.83 61.53 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.233 -0.44 . . . . 10.0 111.306 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 12.6 m-30 -78.27 -45.65 22.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.998 0.427 . . . . 10.0 110.853 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 100.95 27.32 7.47 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.775 -0.726 . . . . 10.0 112.142 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 139' ' ' ILE . . . . . 0.473 ' O ' ' HB1' ' C' ' 134' ' ' ALA . 28.6 pt -125.77 148.91 63.96 Favored Pre-proline 0 C--N 1.328 -0.345 0 N-CA-C 110.31 -0.256 . . . . 10.0 110.31 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 140' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' C' ' 139' ' ' ILE . 6.4 Cg_exo -75.68 147.17 31.12 Favored 'Trans proline' 0 CA--C 1.534 0.52 0 C-N-CA 123.049 2.5 . . . . 10.0 112.318 179.667 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 141' ' ' PHE . . . . . 0.464 ' HE1' ' HE2' ' C' ' 82' ' ' PHE . 69.8 t80 -112.82 137.91 50.45 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.658 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 142' ' ' ILE . . . . . 0.435 ' CD1' ' HA ' ' C' ' 155' ' ' ALA . 22.2 mt -131.68 133.05 61.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.461 -0.336 . . . . 10.0 110.754 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -88.23 140.18 29.74 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.889 -0.782 . . . . 10.0 108.889 177.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 38.9 p -139.19 174.93 10.0 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.529 0.68 . . . . 10.0 112.358 -178.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 8.2 t -159.15 121.57 3.54 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.906 -1.043 . . . . 10.0 108.837 178.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -79.02 -25.67 43.25 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 109.679 -0.489 . . . . 10.0 109.679 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 147' ' ' LYS . . . . . 0.418 ' HD2' ' OD2' ' C' ' 119' ' ' ASP . 36.5 ttmt -70.76 -48.37 54.73 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.506 -0.77 . . . . 10.0 111.679 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 37.7 p -95.26 -5.23 44.16 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 113.156 0.798 . . . . 10.0 113.156 -178.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 149' ' ' ARG . . . . . 0.435 ' HG2' ' CD ' ' C' ' 22' ' ' GLN . 0.0 OUTLIER 61.66 54.18 3.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.026 0.441 . . . . 10.0 111.377 -179.715 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -120.73 140.41 51.69 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.317 -0.401 . . . . 10.0 110.892 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 80.42 -18.91 7.61 Favored Glycine 0 C--O 1.228 -0.268 0 N-CA-C 114.827 0.691 . . . . 10.0 114.827 178.045 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 152' ' ' VAL . . . . . 0.531 HG13 HD23 ' C' ' 19' ' ' LEU . 97.4 t -55.03 -47.65 76.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 117.353 0.576 . . . . 10.0 112.38 -179.012 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.08 -51.37 69.44 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.857 -179.522 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -60.91 -45.2 95.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.972 -0.558 . . . . 10.0 112.399 -179.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 155' ' ' ALA . . . . . 0.435 ' HA ' ' CD1' ' C' ' 142' ' ' ILE . . . -57.37 -53.09 62.05 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.216 -0.447 . . . . 10.0 112.111 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -66.3 -36.93 84.21 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.125 0.416 . . . . 10.0 112.125 -179.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -67.76 -42.63 81.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.808 0.337 . . . . 10.0 110.984 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 75.1 m -68.45 -31.84 71.42 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.338 -0.392 . . . . 10.0 111.452 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 159' ' ' LEU . . . . . 0.749 HD22 HD13 ' C' ' 79' ' ' LEU . 53.7 tp -59.78 -42.69 93.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.917 0.389 . . . . 10.0 110.393 179.149 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 90.8 t -70.24 -37.36 71.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.91 -0.586 . . . . 10.0 109.799 179.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 161' ' ' ARG . . . . . 0.461 ' NH1' ' HB3' ' B' ' 131' ' ' GLN . 6.4 ttp-105 -61.11 -37.67 83.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.517 -0.765 . . . . 10.0 110.599 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -63.3 -35.95 82.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.95 179.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 54.9 mt -68.01 -40.22 82.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 109.413 -0.588 . . . . 10.0 109.413 178.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 31.3 mtp180 -63.97 -39.77 94.89 Favored 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 108.906 -0.776 . . . . 10.0 108.906 178.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -61.99 -40.92 97.28 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.043 -0.98 . . . . 10.0 109.823 178.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 166' ' ' HIS . . . . . 0.407 ' HB2' ' HG3' ' C' ' 110' ' ' PRO . 44.5 t-80 -62.48 -45.79 91.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.296 -0.411 . . . . 10.0 110.467 179.468 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 68.1 mttm . . . . . 0 C--O 1.234 0.267 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.273 179.318 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 6.6 tmtm? . . . . . 0 N--CA 1.463 0.209 0 CA-C-O 120.977 0.418 . . . . 10.0 111.659 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 81.9 mt -71.25 -25.72 62.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.307 -0.406 . . . . 10.0 111.95 -179.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 72.5 mt -85.98 -40.13 16.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.908 0.385 . . . . 10.0 110.478 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -60.14 -46.72 88.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.749 -0.66 . . . . 10.0 110.327 178.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 206' ' ' ASN . . . . . 0.404 ' HA ' HD22 ' A' ' 206' ' ' ASN . 9.8 m120 -68.24 -30.88 70.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.552 -0.749 . . . . 10.0 111.127 179.631 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 9.6 t90 -65.68 -35.1 79.81 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 116.232 -0.44 . . . . 10.0 110.408 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -62.9 -40.56 97.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.382 -0.372 . . . . 10.0 110.685 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 1.4 m -64.0 -33.95 76.89 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.143 0.496 . . . . 10.0 109.809 178.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 59.3 t -72.93 -44.04 58.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 109.34 -0.615 . . . . 10.0 109.34 178.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 19.3 m -60.66 -44.53 96.32 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.606 -0.724 . . . . 10.0 111.176 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 2.2 p -63.54 -40.09 96.1 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.927 -0.397 . . . . 10.0 109.927 179.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 72.4 m -64.08 -42.0 97.1 Favored 'General case' 0 CA--C 1.529 0.156 0 N-CA-C 109.282 -0.636 . . . . 10.0 109.282 178.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -60.48 -45.71 92.74 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.394 178.592 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 16.7 m -60.05 -51.99 67.28 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.651 -0.704 . . . . 10.0 110.467 179.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -59.44 -41.73 90.26 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.274 -0.421 . . . . 10.0 111.131 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 217' ' ' LEU . . . . . 0.569 ' O ' ' HG ' ' A' ' 221' ' ' LEU . 18.2 mt -65.81 -44.51 85.43 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.598 179.651 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 218' ' ' ARG . . . . . 0.454 ' HA ' HD12 ' A' ' 221' ' ' LEU . 80.1 mtt180 -64.7 -41.84 95.72 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.534 -0.303 . . . . 10.0 111.299 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -65.24 -28.97 69.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.996 0.427 . . . . 10.0 110.771 179.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 220' ' ' GLN . . . . . 0.453 ' O ' HG23 ' A' ' 224' ' ' VAL . 8.1 tp-100 -85.28 -23.48 28.14 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.972 -0.558 . . . . 10.0 109.912 178.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 221' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' A' ' 217' ' ' LEU . 37.3 mt -61.42 -31.41 71.34 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.352 179.19 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -57.16 -65.37 3.62 Favored Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 110.932 -0.867 . . . . 10.0 110.932 178.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 223' ' ' PRO . . . . . 0.48 ' O ' ' HG3' ' A' ' 227' ' ' GLU . 62.9 Cg_exo -55.47 -38.75 93.71 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.518 2.145 . . . . 10.0 111.1 177.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 224' ' ' VAL . . . . . 0.458 HG22 ' HD3' ' D' ' 550' ' ' LYS . 44.8 t -57.99 -52.88 52.75 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.152 0 CA-C-N 116.63 -0.259 . . . . 10.0 110.917 179.539 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 8.5 p -65.9 -36.58 83.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.737 0.303 . . . . 10.0 110.85 -179.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -62.52 -52.54 63.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.7 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 227' ' ' GLU . . . . . 0.48 ' HG3' ' O ' ' A' ' 223' ' ' PRO . 24.9 mt-10 -66.17 -39.8 90.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.797 179.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -63.22 -43.33 98.41 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.968 -0.56 . . . . 10.0 109.912 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -66.97 -37.62 84.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.794 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -59.97 -45.79 91.54 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.598 0.713 . . . . 10.0 109.198 178.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -67.43 -39.93 85.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.043 -0.981 . . . . 10.0 109.528 178.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 24.1 mt -60.19 -41.09 92.19 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 116.101 -0.5 . . . . 10.0 110.02 179.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -64.08 -36.87 85.42 Favored 'General case' 0 C--O 1.221 -0.401 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.535 179.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 71.9 mttt -69.95 -38.76 76.22 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.969 -0.752 . . . . 10.0 108.969 178.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -63.73 -48.24 77.84 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.484 -0.78 . . . . 10.0 109.626 178.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 1.2 p -68.78 -31.73 70.96 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.22 179.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 237' ' ' GLU . . . . . 0.436 ' HG2' HE21 ' A' ' 241' ' ' GLN . 25.4 tt0 -59.81 -49.13 78.92 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 109.145 -0.687 . . . . 10.0 109.145 177.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -62.15 -42.28 99.72 Favored Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 110.53 -1.028 . . . . 10.0 110.53 178.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 239' ' ' LEU . . . . . 0.516 ' HA ' ' HB2' ' A' ' 242' ' ' GLU . 52.1 mt -66.55 -26.9 67.35 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.616 0.246 . . . . 10.0 111.576 179.56 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 46.2 mtt180 -69.85 -41.02 75.42 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.185 -0.672 . . . . 10.0 109.185 178.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 241' ' ' GLN . . . . . 0.436 HE21 ' HG2' ' A' ' 237' ' ' GLU . 51.6 mt-30 -72.27 -37.14 69.11 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.529 -0.915 . . . . 10.0 108.529 178.343 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 242' ' ' GLU . . . . . 0.516 ' HB2' ' HA ' ' A' ' 239' ' ' LEU . 8.3 mm-40 -64.29 -33.2 75.28 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 115.02 -0.991 . . . . 10.0 109.81 178.48 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 243' ' ' MET . . . . . 0.497 ' HG3' HD12 ' A' ' 247' ' ' LEU . 38.4 ttm -58.96 -38.39 78.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.008 0.432 . . . . 10.0 110.014 179.323 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 4.7 m -77.14 9.19 3.21 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 115.792 -0.64 . . . . 10.0 111.331 179.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -129.87 -65.56 0.83 Allowed 'General case' 0 C--O 1.223 -0.29 0 N-CA-C 109.583 -0.525 . . . . 10.0 109.583 178.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 246' ' ' ASP . . . . . 0.554 ' HA ' ' CZ ' ' D' ' 528' ' ' ARG . 4.7 t70 -54.14 -39.12 66.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.584 -0.734 . . . . 10.0 111.763 -179.306 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 247' ' ' LEU . . . . . 0.497 HD12 ' HG3' ' A' ' 243' ' ' MET . 35.4 mt -96.82 -42.63 7.87 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.947 0.351 . . . . 10.0 111.947 -179.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -65.01 -45.85 83.79 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.918 0.71 . . . . 10.0 112.918 -179.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -66.49 -39.3 88.66 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-O 120.992 0.425 . . . . 10.0 110.119 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 250' ' ' VAL . . . . . 0.673 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 1.6 p -71.4 -28.97 33.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.384 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 251' ' ' LYS . . . . . 0.486 ' O ' HG12 ' A' ' 254' ' ' VAL . 71.0 tttt -80.05 -36.49 35.62 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.409 0.623 . . . . 10.0 109.773 179.55 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -69.55 -34.32 74.04 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.828 -0.624 . . . . 10.0 109.797 178.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -91.73 -15.37 28.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.691 -0.686 . . . . 10.0 112.024 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 254' ' ' VAL . . . . . 0.673 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.9 OUTLIER -63.8 -25.23 37.73 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 CA-C-O 120.717 0.294 . . . . 10.0 110.724 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 255' ' ' GLN . . . . . 0.504 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 36.0 mt-30 -66.21 -63.47 3.11 Favored Pre-proline 0 CA--C 1.534 0.356 0 CA-C-N 116.057 -0.519 . . . . 10.0 110.869 179.183 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 256' ' ' PRO . . . . . 0.504 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 20.6 Cg_endo -62.44 -32.06 80.76 Favored 'Trans proline' 0 C--N 1.358 1.038 0 C-N-CA 121.784 1.656 . . . . 10.0 112.228 179.18 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 9.5 m-30 -67.96 -51.1 51.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.542 -0.299 . . . . 10.0 110.343 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 258' ' ' LEU . . . . . 0.419 ' O ' ' HB2' ' A' ' 262' ' ' GLN . 22.2 mt -70.7 -34.18 71.68 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 116.64 -0.255 . . . . 10.0 110.715 179.246 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -63.63 -48.76 75.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.507 -0.315 . . . . 10.0 110.672 179.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 260' ' ' ASP . . . . . 0.753 ' HA ' ' HE2' ' A' ' 263' ' ' LYS . 25.4 t70 -63.05 -46.64 86.55 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.338 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 2.7 m-30 -64.4 -28.75 69.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 10.0 110.443 179.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 262' ' ' GLN . . . . . 0.419 ' HB2' ' O ' ' A' ' 258' ' ' LEU . 0.3 OUTLIER -70.42 -46.25 64.3 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 109.277 -0.638 . . . . 10.0 109.277 178.469 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 263' ' ' LYS . . . . . 0.753 ' HE2' ' HA ' ' A' ' 260' ' ' ASP . 27.2 mtmt -61.25 -41.25 96.59 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.209 -0.663 . . . . 10.0 109.209 178.54 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 264' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -64.41 -45.39 87.81 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.706 -0.679 . . . . 10.0 109.368 178.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 1.3 m95 -61.17 -41.51 96.9 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.273 -0.421 . . . . 10.0 110.314 179.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -57.36 -48.34 79.29 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.411 -0.589 . . . . 10.0 109.411 178.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 267' ' ' GLU . . . . . 0.417 ' O ' ' HG ' ' A' ' 271' ' ' LEU . 99.4 mt-10 -64.09 -45.07 90.31 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 115.709 -0.678 . . . . 10.0 110.251 178.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 268' ' ' GLU . . . . . 0.51 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 24.6 mt-10 -56.76 -46.2 81.59 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.865 179.629 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 73.5 mmm -69.45 -39.91 77.48 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.866 -0.606 . . . . 10.0 110.509 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -66.55 -43.9 83.82 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.669 -0.242 . . . . 10.0 110.879 179.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 271' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 267' ' ' GLU . 86.7 mt -59.83 -34.64 73.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.149 0.499 . . . . 10.0 109.912 179.05 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 272' ' ' TYR . . . . . 0.456 ' HD1' ' HA ' ' A' ' 272' ' ' TYR . 0.7 OUTLIER -80.65 -36.6 32.27 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.725 -0.67 . . . . 10.0 111.061 179.289 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 273' ' ' ARG . . . . . 0.409 ' O ' HG12 ' A' ' 276' ' ' VAL . 72.4 mtt180 -69.49 -40.43 77.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.488 -0.324 . . . . 10.0 111.097 179.603 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -68.02 -31.22 70.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.03 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 275' ' ' LYS . . . . . 0.577 ' HD2' HD21 ' D' ' 499' ' ' LEU . 57.2 mttp -92.08 -28.08 17.36 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.733 0.642 . . . . 10.0 112.733 -179.138 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 276' ' ' VAL . . . . . 0.409 HG12 ' O ' ' A' ' 273' ' ' ARG . 5.2 p -61.3 -32.57 53.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 112.227 0.455 . . . . 10.0 112.227 -178.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 277' ' ' GLU . . . . . 0.429 ' HB2' ' HD3' ' A' ' 278' ' ' PRO . 6.3 mt-10 -64.19 -60.71 8.09 Favored Pre-proline 0 C--N 1.327 -0.41 0 N-CA-C 112.097 0.406 . . . . 10.0 112.097 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 278' ' ' PRO . . . . . 0.429 ' HD3' ' HB2' ' A' ' 277' ' ' GLU . 19.8 Cg_endo -62.28 -35.28 74.69 Favored 'Trans proline' 0 C--N 1.354 0.851 0 C-N-CA 121.779 1.652 . . . . 10.0 111.524 178.613 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 279' ' ' LEU . . . . . 0.54 HD22 ' HE3' ' D' ' 495' ' ' LYS . 39.2 mt -66.3 -47.25 74.19 Favored 'General case' 0 C--O 1.226 -0.155 0 CA-C-N 116.483 -0.326 . . . . 10.0 110.781 179.134 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -61.84 -35.88 79.55 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.872 -0.418 . . . . 10.0 109.872 179.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -62.07 -50.08 73.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.74 179.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -68.38 -37.29 80.26 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.929 -0.308 . . . . 10.0 110.78 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 283' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' A' ' 279' ' ' LEU . 92.1 mt -63.6 -40.76 97.76 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 109.399 -0.593 . . . . 10.0 109.399 178.659 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -65.54 -43.15 90.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.78 -0.646 . . . . 10.0 109.44 178.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -59.85 -49.25 78.46 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.868 -0.605 . . . . 10.0 109.466 178.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -60.5 -42.11 98.95 Favored Glycine 0 N--CA 1.441 -1.024 0 N-CA-C 110.996 -0.842 . . . . 10.0 110.996 178.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -61.08 -44.98 96.55 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 110.218 -0.289 . . . . 10.0 110.218 179.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 288' ' ' ARG . . . . . 0.456 ' O ' ' HB2' ' A' ' 292' ' ' HIS . 16.9 mtt180 -58.65 -48.52 80.78 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.343 179.232 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 6.1 tm0? -63.62 -42.95 98.13 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.987 -0.551 . . . . 10.0 111.101 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 58.3 mttt -65.92 -42.75 89.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 10.0 110.543 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 71.5 mt -67.08 -35.55 80.06 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.288 -0.634 . . . . 10.0 109.288 178.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 292' ' ' HIS . . . . . 0.456 ' HB2' ' O ' ' A' ' 288' ' ' ARG . 0.2 OUTLIER -65.96 -47.5 74.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.56 -0.745 . . . . 10.0 109.485 178.858 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.17 -34.99 72.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.987 -0.552 . . . . 10.0 109.578 179.116 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 31.6 mt -68.95 -45.82 69.76 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 115.521 -0.763 . . . . 10.0 109.589 178.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 295' ' ' GLN . . . . . 0.412 ' HA ' ' HB2' ' A' ' 298' ' ' LEU . 47.5 mt-30 -63.04 -32.8 74.25 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.161 0.505 . . . . 10.0 110.664 179.235 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 296' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 292' ' ' HIS . 75.1 mm-40 -65.06 -14.93 61.69 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.692 -0.685 . . . . 10.0 110.487 179.203 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . 0.569 ' HB3' HD12 ' A' ' 301' ' ' LEU . 33.5 mmtp -114.08 -35.7 4.97 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.044 -0.526 . . . . 10.0 110.654 179.256 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 298' ' ' LEU . . . . . 0.412 ' HB2' ' HA ' ' A' ' 295' ' ' GLN . 21.7 mt -57.49 -34.8 69.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.251 -0.431 . . . . 10.0 111.587 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 299' ' ' SER . . . . . 0.469 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 3.4 m -74.14 -62.1 1.11 Allowed Pre-proline 0 C--N 1.324 -0.508 0 N-CA-C 112.313 0.486 . . . . 10.0 112.313 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 300' ' ' PRO . . . . . 0.469 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 29.1 Cg_endo -63.83 -50.71 2.88 Favored 'Trans proline' 0 C--N 1.358 1.05 0 C-N-CA 121.745 1.63 . . . . 10.0 112.816 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 301' ' ' LEU . . . . . 0.79 HD22 ' HG2' ' D' ' 473' ' ' LYS . 75.6 mt -68.32 -24.55 64.84 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 110.091 -0.337 . . . . 10.0 110.091 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -74.65 -49.76 10.43 Favored Glycine 0 N--CA 1.446 -0.699 0 N-CA-C 110.119 -1.192 . . . . 10.0 110.119 178.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -60.87 -40.78 94.26 Favored 'General case' 0 CA--C 1.519 -0.236 0 N-CA-C 108.873 -0.788 . . . . 10.0 108.873 178.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -63.34 -37.24 86.5 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.503 -0.771 . . . . 10.0 109.859 178.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 8.5 tpt -68.19 -39.34 82.49 Favored 'General case' 0 CA--C 1.516 -0.341 0 N-CA-C 109.933 -0.395 . . . . 10.0 109.933 179.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 306' ' ' ARG . . . . . 0.502 ' O ' ' HG3' ' A' ' 310' ' ' ARG . 3.8 mtt180 -67.71 -39.0 84.37 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.755 -0.657 . . . . 10.0 109.48 178.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 307' ' ' ASP . . . . . 0.638 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 34.6 t70 -69.15 -41.57 77.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.004 -0.544 . . . . 10.0 109.898 178.697 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 308' ' ' ARG . . . . . 0.435 ' HG3' HD11 ' D' ' 469' ' ' LEU . 9.3 mmt180 -66.51 -32.86 74.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.938 -0.573 . . . . 10.0 109.55 178.072 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 309' ' ' ALA . . . . . 0.441 ' HA ' ' HB2' ' A' ' 312' ' ' HIS . . . -66.16 -33.69 76.34 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 109.061 -0.718 . . . . 10.0 109.061 177.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 310' ' ' ARG . . . . . 0.638 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 91.8 mtt180 -59.2 -51.26 70.74 Favored 'General case' 0 C--O 1.221 -0.407 0 N-CA-C 108.612 -0.884 . . . . 10.0 108.612 178.199 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -65.76 -39.22 90.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.413 179.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 312' ' ' HIS . . . . . 0.441 ' HB2' ' HA ' ' A' ' 309' ' ' ALA . 0.5 OUTLIER -58.34 -51.75 68.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 10.0 110.49 179.713 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 76.3 t -73.59 -36.97 48.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.549 -0.751 . . . . 10.0 111.077 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 314' ' ' ASP . . . . . 0.438 ' HB2' ' O ' ' A' ' 310' ' ' ARG . 8.8 t70 -60.67 -49.75 76.26 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.865 -0.421 . . . . 10.0 109.865 179.484 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -62.39 -36.2 81.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.631 -0.713 . . . . 10.0 109.854 179.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 7.1 mt -65.9 -47.46 74.72 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-N 115.748 -0.66 . . . . 10.0 109.307 178.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 21.6 mtm105 -60.58 -46.67 89.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.339 -0.391 . . . . 10.0 110.952 179.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 48.7 m -59.79 -29.09 67.98 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.932 -0.576 . . . . 10.0 111.121 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -90.03 -37.13 14.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.429 -0.35 . . . . 10.0 110.966 179.455 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 60.0 mt -65.85 -31.87 73.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.569 -0.287 . . . . 10.0 111.606 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -55.29 -60.86 7.13 Favored Pre-proline 0 CA--C 1.535 0.372 0 O-C-N 123.085 0.241 . . . . 10.0 111.545 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -66.32 -37.18 24.84 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 121.423 1.415 . . . . 10.0 110.915 178.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 323' ' ' TYR . . . . . 0.474 ' O ' ' HG ' ' A' ' 327' ' ' LEU . 9.2 m-30 -58.72 -47.73 83.57 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.357 -0.383 . . . . 10.0 111.808 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 14.8 p -63.1 -40.23 97.03 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 123.134 0.271 . . . . 10.0 111.08 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 325' ' ' ASP . . . . . 0.693 ' HA ' ' HD2' ' A' ' 328' ' ' ARG . 1.3 m-20 -66.04 -40.02 90.66 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.448 -0.575 . . . . 10.0 109.448 178.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . 0.446 ' O ' ' HG3' ' A' ' 330' ' ' ARG . 26.6 mt-10 -65.11 -38.65 91.36 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 108.686 -0.857 . . . . 10.0 108.686 177.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . 0.533 HD23 ' HD2' ' A' ' 330' ' ' ARG . 32.7 mt -66.55 -36.31 82.35 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.962 -0.563 . . . . 10.0 109.882 178.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 328' ' ' ARG . . . . . 0.693 ' HD2' ' HA ' ' A' ' 325' ' ' ASP . 86.9 mtt180 -61.99 -43.83 98.01 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.003 -0.74 . . . . 10.0 109.003 178.466 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -66.42 -38.88 88.43 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.819 -0.628 . . . . 10.0 109.316 178.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 330' ' ' ARG . . . . . 0.734 HH21 ' HB3' ' D' ' 447' ' ' GLU . 32.2 mtt180 -60.86 -48.08 83.43 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 109.392 -0.596 . . . . 10.0 109.392 178.251 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 67.6 mt -62.35 -43.65 98.32 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.543 -0.753 . . . . 10.0 110.259 179.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -61.03 -51.9 67.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.286 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -60.02 -43.98 94.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.668 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 7.7 mmt180 -63.93 -47.41 80.64 Favored 'General case' 0 C--O 1.225 -0.209 0 CA-C-N 116.296 -0.411 . . . . 10.0 109.91 179.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 335' ' ' LEU . . . . . 0.416 ' O ' ' HG3' ' A' ' 339' ' ' LYS . 49.8 mt -61.78 -42.63 99.25 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 116.28 -0.418 . . . . 10.0 110.774 179.464 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -60.33 -47.38 86.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.644 -0.253 . . . . 10.0 110.563 179.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -65.2 -44.2 89.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.224 -0.443 . . . . 10.0 109.958 179.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 54.7 mt -65.53 -19.68 66.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.75 -0.659 . . . . 10.0 111.094 179.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 339' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' A' ' 335' ' ' LEU . 74.5 mttt -81.84 -40.98 21.69 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.653 -0.499 . . . . 10.0 109.653 178.196 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -67.49 -55.82 12.03 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 108.527 -0.916 . . . . 10.0 108.527 178.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -62.32 -43.87 97.82 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.15 -0.932 . . . . 10.0 110.098 179.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 342' ' ' GLY . . . . . 0.404 ' O ' ' HG ' ' A' ' 346' ' ' LEU . . . -60.25 -47.73 89.64 Favored Glycine 0 C--O 1.227 -0.318 0 CA-C-N 115.707 -0.678 . . . . 10.0 112.032 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -61.44 -42.42 99.76 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.752 -0.737 . . . . 10.0 111.399 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -64.62 -42.49 95.48 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 110.093 -0.336 . . . . 10.0 110.093 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 41.1 mtm180 -66.94 -41.16 87.43 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.381 179.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 346' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 342' ' ' GLY . 75.6 mt -57.76 -47.68 81.8 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 110.038 -0.356 . . . . 10.0 110.038 179.073 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -65.83 -41.26 92.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.06 178.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -61.85 -45.7 92.66 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.824 -0.625 . . . . 10.0 110.245 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -65.23 -30.03 70.88 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.417 179.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -67.58 -46.71 71.84 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 109.434 -0.58 . . . . 10.0 109.434 178.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 351' ' ' ALA . . . . . 0.53 ' O ' ' HG2' ' A' ' 355' ' ' GLU . . . -64.8 -41.21 95.99 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.755 -0.831 . . . . 10.0 108.755 178.041 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 352' ' ' LYS . . . . . 0.499 ' HG3' ' OE2' ' D' ' 425' ' ' GLU . 5.7 mtmm -59.4 -45.9 90.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.572 -0.74 . . . . 10.0 109.695 178.711 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . 0.426 ' O ' ' HG ' ' A' ' 357' ' ' LEU . . . -62.4 -40.18 95.65 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.841 -0.618 . . . . 10.0 109.781 178.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 25.7 m -60.99 -45.42 94.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.489 . . . . 10.0 110.136 178.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 355' ' ' GLU . . . . . 0.53 ' HG2' ' O ' ' A' ' 351' ' ' ALA . 49.3 mm-40 -66.52 -39.9 88.87 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.062 0.458 . . . . 10.0 110.04 179.55 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -65.76 -36.12 82.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.068 178.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 357' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 353' ' ' ALA . 46.1 mt -64.33 -42.05 96.48 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.14 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 358' ' ' SER . . . . . 0.405 ' O ' ' HG2' ' A' ' 362' ' ' GLU . 0.0 OUTLIER -61.45 -49.59 76.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.892 0.377 . . . . 10.0 110.468 179.376 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 359' ' ' THR . . . . . 0.408 ' CG2' ' HB3' ' D' ' 414' ' ' LYS . 1.5 m -66.19 -30.04 70.43 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.447 179.024 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 7.3 tt -70.38 -32.71 70.49 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.12 -0.696 . . . . 10.0 109.12 178.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 30.8 m -67.0 -31.03 71.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.961 -0.563 . . . . 10.0 109.801 179.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 362' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 358' ' ' SER . 4.2 mm-40 -68.98 -15.55 63.51 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.63 0.728 . . . . 10.0 109.329 178.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 363' ' ' LYS . . . . . 0.655 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 82.3 mttt -97.12 -43.03 7.57 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.545 -0.909 . . . . 10.0 108.545 178.122 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -64.16 -31.87 73.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.358 -0.837 . . . . 10.0 112.604 -179.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 365' ' ' LYS . . . . . 0.995 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 57.9 mttt -105.86 -75.0 0.02 OUTLIER Pre-proline 0 CA--C 1.538 0.489 0 N-CA-C 113.107 0.78 . . . . 10.0 113.107 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 366' ' ' PRO . . . . . 0.995 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 35.2 Cg_exo -58.28 -51.54 7.36 Favored 'Trans proline' 0 C--N 1.354 0.832 0 C-N-CA 122.269 1.979 . . . . 10.0 113.63 -178.63 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 367' ' ' ALA . . . . . 0.655 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -61.29 -53.39 57.44 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.586 0.217 . . . . 10.0 111.586 -179.355 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 368' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 368' ' ' LEU . 15.9 mt -58.64 -38.51 78.26 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.773 -0.194 . . . . 10.0 111.474 179.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -64.46 -49.95 69.42 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.835 -0.431 . . . . 10.0 109.835 179.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -60.58 -37.67 82.07 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.328 179.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 49.9 mt -66.68 -42.94 85.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.703 -0.681 . . . . 10.0 110.164 179.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 372' ' ' ARG . . . . . 0.423 ' O ' ' HG ' ' A' ' 376' ' ' LEU . 57.8 mtt85 -66.5 -40.24 89.14 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.738 -0.468 . . . . 10.0 109.738 178.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -63.66 -20.6 65.83 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.034 178.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -93.99 -35.11 6.19 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 110.824 -0.91 . . . . 10.0 110.824 178.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 375' ' ' LEU . . . . . 0.497 ' O ' ' HG ' ' A' ' 379' ' ' LEU . 41.4 mt -65.97 -39.61 90.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.825 -0.188 . . . . 10.0 111.112 179.269 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 376' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 372' ' ' ARG . 92.3 mt -50.57 -60.23 5.79 Favored Pre-proline 0 CA--C 1.537 0.473 0 N-CA-C 112.892 0.701 . . . . 10.0 112.892 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -64.27 -32.2 62.32 Favored 'Trans proline' 0 C--N 1.355 0.873 0 C-N-CA 122.109 1.873 . . . . 10.0 111.496 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 25.1 t -65.73 -39.99 86.48 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 N-CA-C 109.612 -0.514 . . . . 10.0 109.612 178.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 379' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 375' ' ' LEU . 88.8 mt -62.37 -35.43 79.15 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.097 -0.501 . . . . 10.0 110.098 178.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 380' ' ' GLU . . . . . 0.429 ' O ' HG23 ' A' ' 384' ' ' VAL . 31.3 mt-10 -60.89 -49.87 75.71 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.447 -0.575 . . . . 10.0 109.447 179.253 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.25 -42.03 90.15 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.989 -0.551 . . . . 10.0 110.218 179.21 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -64.45 -42.88 95.71 Favored 'General case' 0 C--O 1.221 -0.445 0 CA-C-N 115.724 -0.671 . . . . 10.0 110.835 179.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 383' ' ' LYS . . . . . 0.429 ' O ' ' HG ' ' A' ' 387' ' ' LEU . 93.9 mttt -62.28 -46.26 89.57 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.818 0.342 . . . . 10.0 110.589 179.558 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 384' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 380' ' ' GLU . 89.5 t -61.05 -49.78 83.29 Favored 'Isoleucine or valine' 0 C--O 1.236 0.395 0 CA-C-N 116.097 -0.502 . . . . 10.0 110.992 179.606 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 8.7 p -65.78 -35.43 80.69 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.389 -0.369 . . . . 10.0 111.275 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -61.54 -45.26 94.93 Favored 'General case' 0 CA--C 1.52 -0.202 0 N-CA-C 109.319 -0.623 . . . . 10.0 109.319 178.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 387' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 383' ' ' LYS . 79.0 mt -64.31 -40.52 96.09 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.146 179.045 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 388' ' ' SER . . . . . 0.521 ' HB3' ' HD3' ' D' ' 594' ' ' LYS . 38.3 m -63.24 -45.27 92.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.913 -0.585 . . . . 10.0 109.931 179.086 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -64.41 -41.85 96.41 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.921 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 26.7 mt -58.69 -48.86 79.67 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.158 -0.474 . . . . 10.0 109.946 179.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -60.99 -41.24 96.1 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.487 179.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -56.35 -55.71 30.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 10.0 111.467 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -61.93 -35.62 78.96 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.208 -0.451 . . . . 10.0 111.618 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 23.7 m -67.53 -44.84 77.37 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.369 -0.378 . . . . 10.0 111.293 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -68.99 -40.91 78.46 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.41 0.522 . . . . 10.0 112.41 -179.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 396' ' ' LYS . . . . . 0.639 ' HE2' ' HA ' ' D' ' 587' ' ' ALA . 13.5 mptt -75.36 -36.06 61.03 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 113.512 0.93 . . . . 10.0 113.512 -177.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 64.8 mt -92.59 14.5 16.74 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.45 0.537 . . . . 10.0 112.45 -179.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 64.1 t30 . . . . . 0 C--N 1.323 -0.55 0 CA-C-N 116.662 -0.245 . . . . 10.0 110.885 179.558 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 2.9 mm? . . . . . 0 C--O 1.235 0.299 0 CA-C-O 121.499 0.666 . . . . 10.0 109.839 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -87.74 7.69 29.11 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.443 -0.799 . . . . 10.0 110.471 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 75.7 mt -61.72 -39.44 91.52 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.725 -0.671 . . . . 10.0 109.677 179.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 36.7 mt -63.85 -38.13 89.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.652 -0.703 . . . . 10.0 110.633 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -62.22 -53.27 57.62 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 115.897 -0.592 . . . . 10.0 109.719 179.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 404' ' ' ASN . . . . . 0.558 ' O ' HG23 ' D' ' 408' ' ' VAL . 59.1 t30 -60.05 -40.6 89.99 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.656 -0.702 . . . . 10.0 110.696 -179.622 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 4.7 m95 -56.39 -43.64 79.48 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.376 -0.375 . . . . 10.0 111.06 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -64.87 -43.59 92.46 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.935 0.398 . . . . 10.0 110.194 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 1.8 m -61.0 -42.18 97.95 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.678 -0.692 . . . . 10.0 110.733 178.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 408' ' ' VAL . . . . . 0.558 HG23 ' O ' ' D' ' 404' ' ' ASN . 61.7 t -65.86 -41.79 90.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 121.012 0.434 . . . . 10.0 109.866 178.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 19.8 m -63.7 -31.67 72.91 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.311 178.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 27.2 m -64.3 -45.63 87.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.348 179.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 411' ' ' THR . . . . . 0.434 HG22 ' HE2' ' A' ' 363' ' ' LYS . 0.0 OUTLIER -67.01 -33.05 74.72 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 120.708 0.29 . . . . 10.0 110.701 179.74 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 11.7 m-30 -65.86 -45.52 81.83 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.426 -0.583 . . . . 10.0 109.426 178.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 13.3 m -62.97 -38.22 90.24 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 109.35 -0.611 . . . . 10.0 109.35 178.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 414' ' ' LYS . . . . . 0.408 ' HB3' ' CG2' ' A' ' 359' ' ' THR . 29.3 mmtt -65.6 -35.14 79.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.686 -0.688 . . . . 10.0 110.505 178.496 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 415' ' ' LEU . . . . . 0.543 ' HA ' HE21 ' D' ' 418' ' ' GLN . 0.4 OUTLIER -67.38 -40.8 85.73 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.422 -0.584 . . . . 10.0 109.422 179.006 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -66.01 -34.94 79.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.39 -0.823 . . . . 10.0 109.829 178.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -66.07 -34.78 78.85 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.784 -0.643 . . . . 10.0 109.854 178.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 418' ' ' GLN . . . . . 0.543 HE21 ' HA ' ' D' ' 415' ' ' LEU . 46.8 mt-30 -72.65 -48.69 37.25 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 108.866 -0.79 . . . . 10.0 108.866 178.368 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 14.0 mt -45.52 -46.51 13.96 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-N 115.05 -0.977 . . . . 10.0 112.901 -179.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -48.97 -77.81 0.11 Allowed Glycine 0 C--N 1.334 0.426 0 O-C-N 123.677 0.611 . . . . 10.0 113.276 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 421' ' ' PRO . . . . . 0.551 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 52.7 Cg_exo -57.38 -36.4 98.85 Favored 'Trans proline' 0 C--O 1.233 0.275 0 C-N-CA 122.571 2.181 . . . . 10.0 112.717 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 25.7 t -62.25 -48.31 89.02 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.343 0 N-CA-C 112.079 0.4 . . . . 10.0 112.079 -179.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 25.5 p -68.67 -35.74 77.61 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 121.058 -0.257 . . . . 10.0 110.768 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -57.05 -51.33 69.68 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.172 -0.467 . . . . 10.0 109.767 178.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 425' ' ' GLU . . . . . 0.551 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 10.4 pt-20 -76.92 -27.73 55.02 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-N 116.272 -0.422 . . . . 10.0 111.195 179.4 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 426' ' ' PHE . . . . . 0.513 ' O ' ' HG ' ' D' ' 430' ' ' LEU . 40.7 t80 -64.5 -42.0 96.1 Favored 'General case' 0 CA--C 1.52 -0.191 0 N-CA-C 109.602 -0.518 . . . . 10.0 109.602 178.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 427' ' ' TRP . . . . . 0.445 ' O ' ' HG3' ' D' ' 431' ' ' GLU . 38.8 m0 -67.62 -40.03 84.7 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.977 -0.749 . . . . 10.0 108.977 178.568 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -63.56 -39.45 94.42 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 108.511 -0.922 . . . . 10.0 108.511 178.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 429' ' ' ASN . . . . . 0.413 ' HA ' ' HD2' ' D' ' 432' ' ' LYS . 2.8 t30 -65.22 -42.61 93.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.171 -0.922 . . . . 10.0 109.459 178.373 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 430' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' D' ' 426' ' ' PHE . 57.1 mt -60.46 -35.36 75.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.005 -0.543 . . . . 10.0 109.572 178.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 431' ' ' GLU . . . . . 0.445 ' HG3' ' O ' ' D' ' 427' ' ' TRP . 94.2 mt-10 -69.19 -35.95 76.81 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.71 -0.677 . . . . 10.0 109.61 177.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 432' ' ' LYS . . . . . 0.413 ' HD2' ' HA ' ' D' ' 429' ' ' ASN . 31.5 mttp -64.44 -46.66 82.19 Favored 'General case' 0 CA--C 1.519 -0.243 0 N-CA-C 107.921 -1.14 . . . . 10.0 107.921 177.567 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -62.49 -49.86 73.7 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 114.961 -1.018 . . . . 10.0 110.857 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 1.5 p -59.61 -50.87 72.21 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 121.302 -0.159 . . . . 10.0 111.226 179.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 435' ' ' GLU . . . . . 0.468 ' O ' ' HG3' ' D' ' 439' ' ' GLN . 25.6 mm-40 -60.8 -49.37 77.77 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.61 0.243 . . . . 10.0 110.678 179.415 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -58.74 -47.07 92.26 Favored Glycine 0 N--CA 1.453 -0.218 0 N-CA-C 111.518 -0.633 . . . . 10.0 111.518 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 61.9 mt -64.86 -33.94 77.19 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 110.275 -0.269 . . . . 10.0 110.275 179.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 438' ' ' ARG . . . . . 0.603 ' HA ' ' HB2' ' D' ' 441' ' ' MET . 69.2 mtt180 -62.08 -37.67 85.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.521 -0.308 . . . . 10.0 111.409 179.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 439' ' ' GLN . . . . . 0.468 ' HG3' ' O ' ' D' ' 435' ' ' GLU . 69.6 mt-30 -56.37 -51.34 68.68 Favored 'General case' 0 C--O 1.235 0.299 0 O-C-N 123.653 0.596 . . . . 10.0 110.22 179.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.28 -23.81 47.06 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.221 -0.9 . . . . 10.0 110.762 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 441' ' ' MET . . . . . 0.603 ' HB2' ' HA ' ' D' ' 438' ' ' ARG . 2.3 mmm -62.9 -49.82 73.3 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.885 179.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.28 -41.21 98.97 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 109.427 -0.582 . . . . 10.0 109.427 179.177 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -63.02 -39.77 95.76 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.004 179.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 444' ' ' ASP . . . . . 0.721 ' O ' ' HB ' ' D' ' 448' ' ' VAL . 3.6 t0 -69.99 -50.19 44.1 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.389 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 83.4 mt -63.94 -55.47 22.29 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.835 0.68 . . . . 10.0 112.835 -179.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 446' ' ' GLU . . . . . 0.402 ' HA ' ' HD2' ' D' ' 449' ' ' LYS . 26.8 mm-40 -58.7 -50.22 74.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.727 0.298 . . . . 10.0 111.675 -178.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 447' ' ' GLU . . . . . 0.734 ' HB3' HH21 ' A' ' 330' ' ' ARG . 29.6 tt0 -67.36 -29.46 69.0 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.771 -0.372 . . . . 10.0 111.113 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 448' ' ' VAL . . . . . 0.721 ' HB ' ' O ' ' D' ' 444' ' ' ASP . 0.5 OUTLIER -63.7 -32.4 56.76 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.343 0 N-CA-C 109.837 -0.431 . . . . 10.0 109.837 179.102 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 449' ' ' LYS . . . . . 0.402 ' HD2' ' HA ' ' D' ' 446' ' ' GLU . 77.6 mttt -67.9 -43.51 79.1 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.722 -0.844 . . . . 10.0 108.722 178.527 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -78.88 6.65 8.66 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.214 -0.903 . . . . 10.0 110.472 179.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 451' ' ' LYS . . . . . 0.648 ' O ' ' HB2' ' D' ' 455' ' ' TYR . 43.5 mttm -115.76 -47.73 2.79 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.184 179.028 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 80.1 t -67.6 -42.22 86.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 10.0 111.516 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -55.32 -58.78 13.4 Favored Pre-proline 0 CA--C 1.536 0.412 0 C-N-CA 121.175 -0.21 . . . . 10.0 111.2 179.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -67.54 -24.08 42.56 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 121.762 1.641 . . . . 10.0 111.774 178.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 455' ' ' TYR . . . . . 0.648 ' HB2' ' O ' ' D' ' 451' ' ' LYS . 1.3 t80 -70.32 -40.69 74.03 Favored 'General case' 0 CA--C 1.52 -0.186 0 N-CA-C 109.051 -0.722 . . . . 10.0 109.051 178.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 17.5 mt -65.76 -39.72 91.34 Favored 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 108.653 -0.869 . . . . 10.0 108.653 177.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -63.08 -45.88 90.02 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 115.535 -0.757 . . . . 10.0 109.372 178.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -61.96 -43.54 98.63 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.251 -0.886 . . . . 10.0 110.338 179.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -67.11 -46.49 74.04 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.503 179.208 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -55.77 -38.99 70.62 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.447 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 461' ' ' LYS . . . . . 0.42 ' O ' ' HG3' ' D' ' 465' ' ' GLU . 56.0 mttt -59.76 -48.56 81.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 10.0 110.193 179.154 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 26.6 mtmm -70.14 -35.28 73.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.703 179.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 31.3 m0 -63.75 -43.52 96.21 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.374 -0.602 . . . . 10.0 109.374 178.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -66.59 -37.38 84.8 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.331 178.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 465' ' ' GLU . . . . . 0.461 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 38.4 mt-10 -61.75 -50.7 71.33 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 108.437 -0.949 . . . . 10.0 108.437 177.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.32 -43.94 95.91 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.685 -0.688 . . . . 10.0 110.086 179.027 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 34.6 ttm -57.15 -51.29 69.89 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.132 -0.486 . . . . 10.0 110.498 179.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -65.34 -34.12 77.57 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.638 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 469' ' ' LEU . . . . . 0.665 HD22 ' HE3' ' D' ' 473' ' ' LYS . 60.7 mt -67.59 -37.93 83.3 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-N 116.28 -0.418 . . . . 10.0 109.883 178.359 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -65.67 -30.19 70.85 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.896 0.379 . . . . 10.0 110.42 179.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 471' ' ' ARG . . . . . 0.802 ' HA ' ' HG3' ' D' ' 475' ' ' GLU . 66.7 mtt180 -79.32 -23.72 43.28 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.075 0.464 . . . . 10.0 111.013 179.104 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -99.51 -8.03 25.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.214 -0.448 . . . . 10.0 111.572 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 473' ' ' LYS . . . . . 0.79 ' HG2' HD22 ' A' ' 301' ' ' LEU . 92.3 mttt -123.0 -66.92 0.98 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.577 -0.283 . . . . 10.0 111.518 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 474' ' ' VAL . . . . . 0.431 ' O ' ' HB2' ' D' ' 478' ' ' ARG . 52.9 t -54.81 -48.2 73.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 10.0 112.15 -179.055 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 475' ' ' GLU . . . . . 0.802 ' HG3' ' HA ' ' D' ' 471' ' ' ARG . 14.8 mt-10 -58.24 -59.49 13.19 Favored Pre-proline 0 CA--C 1.533 0.299 0 N-CA-C 112.213 0.449 . . . . 10.0 112.213 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 476' ' ' PRO . . . . . 0.732 ' HD3' ' HB2' ' D' ' 475' ' ' GLU . 38.2 Cg_exo -60.04 -41.82 49.3 Favored 'Trans proline' 0 C--N 1.353 0.813 0 C-N-CA 121.811 1.674 . . . . 10.0 111.83 178.629 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 29.3 mt -62.39 -32.87 73.75 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-O 120.769 0.319 . . . . 10.0 110.237 178.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 478' ' ' ARG . . . . . 0.431 ' HB2' ' O ' ' D' ' 474' ' ' VAL . 68.8 ttt180 -63.6 -39.6 94.8 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.604 -0.725 . . . . 10.0 109.335 179.087 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -68.15 -44.33 76.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.79 -0.641 . . . . 10.0 109.533 178.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -63.52 -42.19 98.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.947 -0.57 . . . . 10.0 110.096 178.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 19.8 mt -67.0 -29.76 69.67 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.416 -0.586 . . . . 10.0 109.416 178.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -70.82 -40.64 72.33 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 108.65 -0.87 . . . . 10.0 108.65 178.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 483' ' ' GLU . . . . . 0.402 ' OE2' ' HD2' ' D' ' 486' ' ' ARG . 0.8 OUTLIER -65.51 -43.19 90.86 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.079 -0.712 . . . . 10.0 109.079 178.388 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -65.16 -35.69 92.0 Favored Glycine 0 N--CA 1.446 -0.689 0 N-CA-C 110.381 -1.087 . . . . 10.0 110.381 178.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 485' ' ' ALA . . . . . 0.412 ' O ' ' HG ' ' D' ' 489' ' ' LEU . . . -67.75 -42.95 80.99 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 109.532 -0.544 . . . . 10.0 109.532 178.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 486' ' ' ARG . . . . . 0.402 ' HD2' ' OE2' ' D' ' 483' ' ' GLU . 70.5 mtt180 -62.13 -42.14 98.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.466 . . . . 10.0 109.892 178.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 487' ' ' GLN . . . . . 0.429 ' O ' ' HG3' ' D' ' 491' ' ' GLU . 1.9 mm100 -66.1 -43.01 88.49 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.631 -0.713 . . . . 10.0 109.373 178.348 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 62.8 tttt -64.6 -36.89 85.71 Favored 'General case' 0 C--O 1.225 -0.185 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.055 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 489' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' D' ' 485' ' ' ALA . 66.9 mt -64.54 -39.84 94.5 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 109.059 -0.719 . . . . 10.0 109.059 178.109 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 37.5 t-80 -64.67 -46.96 80.22 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.068 -1.086 . . . . 10.0 108.068 177.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 491' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' D' ' 487' ' ' GLN . 80.4 mt-10 -55.51 -44.98 77.11 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.521 -0.763 . . . . 10.0 109.055 178.259 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 55.8 mt -64.11 -49.44 72.2 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.643 -0.708 . . . . 10.0 110.919 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -60.39 -36.5 78.25 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.491 -0.322 . . . . 10.0 111.333 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -69.03 -4.8 18.36 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 116.019 -0.537 . . . . 10.0 111.22 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 495' ' ' LYS . . . . . 0.575 ' O ' ' HB2' ' D' ' 499' ' ' LEU . 29.1 mttp -120.92 -46.04 2.35 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.447 179.47 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 496' ' ' LEU . . . . . 0.483 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 99.2 mt -60.69 -24.96 66.04 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.248 -0.433 . . . . 10.0 112.035 -179.72 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 497' ' ' SER . . . . . 0.519 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 4.0 m -82.82 -65.46 0.23 Allowed Pre-proline 0 CA--C 1.538 0.517 0 C-N-CA 120.804 -0.359 . . . . 10.0 111.642 179.298 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 498' ' ' PRO . . . . . 0.519 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 32.1 Cg_endo -64.66 -50.39 2.48 Favored 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 121.721 1.614 . . . . 10.0 112.075 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 499' ' ' LEU . . . . . 0.577 HD21 ' HD2' ' A' ' 275' ' ' LYS . 56.4 mt -69.49 -29.72 67.44 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.906 -0.405 . . . . 10.0 109.906 179.247 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 500' ' ' GLY . . . . . 0.483 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -64.77 -47.26 85.14 Favored Glycine 0 N--CA 1.451 -0.345 0 N-CA-C 110.852 -0.899 . . . . 10.0 110.852 179.048 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -67.16 -36.22 81.36 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.164 -0.68 . . . . 10.0 109.164 178.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 502' ' ' GLU . . . . . 0.495 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 21.8 tt0 -63.87 -43.3 96.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.628 -0.715 . . . . 10.0 110.273 178.693 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 503' ' ' MET . . . . . 0.57 ' HA ' ' HD2' ' D' ' 506' ' ' ARG . 33.5 mmm -61.93 -42.48 99.15 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 109.558 -0.534 . . . . 10.0 109.558 179.06 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 504' ' ' ARG . . . . . 0.468 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 67.6 mtt85 -63.83 -37.19 86.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.899 -0.592 . . . . 10.0 109.628 178.374 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 505' ' ' ASP . . . . . 0.475 ' HA ' ' HD2' ' D' ' 508' ' ' ARG . 9.1 t0 -68.26 -37.47 80.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.633 -0.712 . . . . 10.0 109.874 179.417 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 506' ' ' ARG . . . . . 0.57 ' HD2' ' HA ' ' D' ' 503' ' ' MET . 47.1 mtt180 -62.57 -42.42 99.54 Favored 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 108.064 -1.087 . . . . 10.0 108.064 177.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -60.74 -43.35 98.02 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 114.905 -1.043 . . . . 10.0 109.48 178.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 508' ' ' ARG . . . . . 0.475 ' HD2' ' HA ' ' D' ' 505' ' ' ASP . 70.5 mtt180 -58.21 -45.25 87.99 Favored 'General case' 0 C--O 1.223 -0.335 0 O-C-N 123.507 0.504 . . . . 10.0 109.673 178.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -62.14 -48.7 78.96 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.659 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 510' ' ' HIS . . . . . 0.408 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 15.8 m-70 -64.05 -47.31 80.67 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.206 -0.452 . . . . 10.0 111.213 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 511' ' ' VAL . . . . . 0.498 ' O ' ' HG3' ' D' ' 515' ' ' ARG . 55.8 t -63.24 -43.06 98.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.451 -0.34 . . . . 10.0 110.445 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 512' ' ' ASP . . . . . 0.877 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 9.5 t70 -61.9 -39.33 91.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.048 0.452 . . . . 10.0 109.806 179.231 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -66.21 -45.54 80.4 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 108.513 -0.921 . . . . 10.0 108.513 178.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 514' ' ' LEU . . . . . 0.563 ' HA ' ' HB2' ' D' ' 517' ' ' HIS . 89.7 mt -60.88 -27.34 68.06 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 115.644 -0.707 . . . . 10.0 110.743 179.305 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 515' ' ' ARG . . . . . 0.877 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 89.7 mtt180 -65.43 -35.14 80.04 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.294 -0.632 . . . . 10.0 109.294 178.254 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.37 7.32 45.64 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.849 179.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 517' ' ' HIS . . . . . 0.563 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 34.8 m170 -113.37 -65.54 1.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.502 179.368 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 90.9 mt -66.95 -43.5 82.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.708 -0.678 . . . . 10.0 112.697 -178.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 519' ' ' ALA . . . . . 0.643 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -58.6 -57.56 25.66 Favored Pre-proline 0 N--CA 1.466 0.353 0 N-CA-C 112.356 0.502 . . . . 10.0 112.356 -179.568 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 520' ' ' PRO . . . . . 0.643 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 36.4 Cg_exo -62.1 -32.64 83.45 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 121.79 1.66 . . . . 10.0 110.763 178.199 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 521' ' ' TYR . . . . . 0.4 ' HB2' ' O ' ' D' ' 517' ' ' HIS . 24.2 t80 -65.98 -43.53 87.56 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.244 -0.435 . . . . 10.0 110.745 179.461 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 1.7 p -67.21 -32.61 73.78 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 109.516 -0.55 . . . . 10.0 109.516 178.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 523' ' ' ASP . . . . . 0.539 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 0.6 OUTLIER -65.87 -41.41 91.63 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 108.7 -0.852 . . . . 10.0 108.7 177.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -68.43 -37.98 80.76 Favored 'General case' 0 CA--C 1.519 -0.218 0 N-CA-C 108.603 -0.888 . . . . 10.0 108.603 177.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 40.8 mt -62.31 -36.74 83.1 Favored 'General case' 0 C--O 1.219 -0.548 0 CA-C-N 115.352 -0.84 . . . . 10.0 109.349 178.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 526' ' ' ARG . . . . . 0.539 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 77.6 mtt180 -64.02 -39.54 94.33 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.546 -0.538 . . . . 10.0 109.546 178.175 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -66.48 -42.05 88.06 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.316 -0.624 . . . . 10.0 109.316 178.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 528' ' ' ARG . . . . . 0.554 ' CZ ' ' HA ' ' A' ' 246' ' ' ASP . 58.9 mtt180 -68.58 -48.69 63.56 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.5 -0.773 . . . . 10.0 110.589 179.36 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 40.6 mt -62.67 -30.76 71.63 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-N 115.978 -0.556 . . . . 10.0 110.796 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -61.21 -41.27 96.54 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.279 -0.637 . . . . 10.0 109.279 178.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -77.46 -42.58 35.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.63 -0.713 . . . . 10.0 109.462 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 532' ' ' ARG . . . . . 0.478 ' O ' ' HG ' ' D' ' 536' ' ' LEU . 17.5 ttm180 -58.74 -46.9 86.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.664 -0.698 . . . . 10.0 110.053 179.21 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 81.9 mt -69.33 -34.38 74.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.177 178.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 534' ' ' GLU . . . . . 0.431 ' HA ' ' HE3' ' D' ' 537' ' ' LYS . 38.4 tt0 -62.04 -44.21 97.19 Favored 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 109.112 -0.699 . . . . 10.0 109.112 178.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -64.59 -39.97 94.69 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.535 -0.757 . . . . 10.0 109.549 178.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 536' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' D' ' 532' ' ' ARG . 74.4 mt -67.85 -32.63 73.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.666 179.086 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 537' ' ' LYS . . . . . 0.431 ' HE3' ' HA ' ' D' ' 534' ' ' GLU . 43.5 mtmt -74.45 -41.4 60.87 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.359 -0.608 . . . . 10.0 109.359 178.353 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -65.16 -47.63 76.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.813 -0.63 . . . . 10.0 109.769 178.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -65.97 -42.21 90.19 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-N 115.466 -0.788 . . . . 10.0 109.239 178.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -63.14 -40.09 98.74 Favored Glycine 0 N--CA 1.446 -0.697 0 CA-C-N 115.799 -0.637 . . . . 10.0 112.182 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -66.73 -45.96 79.58 Favored Glycine 0 N--CA 1.449 -0.5 0 N-CA-C 111.127 -0.789 . . . . 10.0 111.127 179.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -64.78 -46.05 83.76 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.9 -0.407 . . . . 10.0 109.9 179.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 48.6 mtt180 -63.42 -30.76 71.83 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 115.774 -0.648 . . . . 10.0 111.135 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 544' ' ' LEU . . . . . 0.562 ' O ' ' HB2' ' D' ' 548' ' ' HIS . 6.2 mt -65.81 -42.09 91.08 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 109.297 -0.631 . . . . 10.0 109.297 178.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -68.03 -40.84 82.83 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.443 -0.577 . . . . 10.0 109.443 178.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -64.75 -47.78 76.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.585 -0.734 . . . . 10.0 110.475 179.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -67.83 -34.44 76.73 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.142 -0.481 . . . . 10.0 111.0 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 548' ' ' HIS . . . . . 0.562 ' HB2' ' O ' ' D' ' 544' ' ' LEU . 3.4 t-80 -66.46 -44.18 83.47 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.443 -0.947 . . . . 10.0 108.443 178.229 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -63.78 -49.68 71.97 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 115.437 -0.801 . . . . 10.0 109.291 178.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 550' ' ' LYS . . . . . 0.458 ' HD3' HG22 ' A' ' 224' ' ' VAL . 0.0 OUTLIER -59.38 -36.87 76.58 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.95 179.412 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -66.89 -39.7 87.54 Favored 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 109.007 -0.738 . . . . 10.0 109.007 178.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 26.6 m -65.09 -48.64 72.98 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.494 -0.776 . . . . 10.0 109.419 178.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -59.17 -45.63 90.52 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-N 115.802 -0.636 . . . . 10.0 110.46 179.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 25.5 t60 -63.98 -37.38 87.22 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 115.976 -0.556 . . . . 10.0 110.229 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 555' ' ' LEU . . . . . 0.456 ' HA ' HD12 ' D' ' 558' ' ' LEU . 36.7 tp -60.58 -43.47 97.31 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.171 -0.468 . . . . 10.0 110.249 179.453 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.63 -39.92 95.37 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.879 179.175 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -71.2 -32.26 68.62 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 116.478 -0.328 . . . . 10.0 110.278 178.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 558' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' D' ' 555' ' ' LEU . 29.8 mt -63.91 -48.62 75.88 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-N 115.865 -0.607 . . . . 10.0 109.594 178.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 3.2 p -70.38 -34.26 72.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.211 -0.45 . . . . 10.0 110.29 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -60.83 -37.47 82.12 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.405 179.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.76 -19.18 22.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.945 -0.571 . . . . 10.0 111.241 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -64.79 -48.92 72.7 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.408 -0.36 . . . . 10.0 111.315 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 563' ' ' LYS . . . . . 0.452 ' HB2' ' CD ' ' D' ' 564' ' ' PRO . 61.5 mttt -55.29 -61.03 6.69 Favored Pre-proline 0 C--N 1.328 -0.339 0 N-CA-C 112.491 0.552 . . . . 10.0 112.491 -179.423 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 564' ' ' PRO . . . . . 0.452 ' CD ' ' HB2' ' D' ' 563' ' ' LYS . 20.4 Cg_endo -59.94 -40.45 62.14 Favored 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 122.103 1.868 . . . . 10.0 112.116 -179.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -61.39 -50.7 71.83 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-O 120.779 0.323 . . . . 10.0 110.223 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 67.3 mt -63.0 -45.8 90.67 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.916 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -59.4 -52.45 65.56 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.576 0.213 . . . . 10.0 111.576 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.86 -37.33 84.25 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.601 -0.272 . . . . 10.0 111.481 -178.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 34.8 mt -67.16 -45.24 77.61 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 110.209 -0.293 . . . . 10.0 110.209 178.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -64.29 -51.7 62.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.762 0.315 . . . . 10.0 110.269 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -69.33 -6.72 31.54 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.971 -0.559 . . . . 10.0 111.87 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -100.53 -44.24 2.18 Favored Glycine 0 N--CA 1.442 -0.95 0 N-CA-C 110.317 -1.113 . . . . 10.0 110.317 178.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 573' ' ' LEU . . . . . 0.467 ' O ' ' HG ' ' D' ' 577' ' ' LEU . 75.0 mt -64.7 -39.87 94.39 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 122.187 0.195 . . . . 10.0 111.374 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 74.4 mt -52.42 -61.21 4.86 Favored Pre-proline 0 CA--C 1.539 0.551 0 N-CA-C 112.655 0.613 . . . . 10.0 112.655 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -65.88 -33.39 43.02 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 121.864 1.709 . . . . 10.0 111.167 178.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 8.9 t -64.57 -39.5 85.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.485 -0.325 . . . . 10.0 110.273 178.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 577' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' D' ' 573' ' ' LEU . 78.9 mt -65.06 -42.62 94.05 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 109.782 -0.451 . . . . 10.0 109.782 178.371 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -64.03 -35.99 82.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.362 179.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 17.0 m -73.75 -35.73 65.05 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.799 -0.637 . . . . 10.0 109.475 178.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -68.01 -34.02 75.71 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 116.173 -0.467 . . . . 10.0 109.761 178.62 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -59.97 -36.79 77.89 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 115.889 -0.596 . . . . 10.0 109.7 178.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 60.9 t -62.17 -49.82 82.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 109.567 -0.531 . . . . 10.0 109.567 178.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.29 -27.27 67.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.709 -0.678 . . . . 10.0 111.261 179.549 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -76.28 -53.16 8.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.749 179.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 86.9 mt -56.06 -47.24 78.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.626 -0.716 . . . . 10.0 111.699 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 11.8 p -64.74 -45.97 84.2 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.769 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 587' ' ' ALA . . . . . 0.639 ' HA ' ' HE2' ' A' ' 396' ' ' LYS . . . -59.81 -52.84 63.74 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 116.244 -0.435 . . . . 10.0 111.093 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 81.2 mt -56.98 -44.26 82.5 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.976 -0.556 . . . . 10.0 111.366 -179.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -64.11 -53.85 43.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.325 -0.398 . . . . 10.0 111.193 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -62.26 -36.37 81.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.236 -0.438 . . . . 10.0 111.493 -179.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -65.28 -47.15 77.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.62 -0.264 . . . . 10.0 110.486 179.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 11.5 m -61.11 -33.04 72.75 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.055 0.455 . . . . 10.0 110.974 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -74.84 -41.3 60.13 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.062 0.458 . . . . 10.0 111.469 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 594' ' ' LYS . . . . . 0.521 ' HD3' ' HB3' ' A' ' 388' ' ' SER . 0.2 OUTLIER -79.78 -16.77 54.89 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.975 0.417 . . . . 10.0 111.632 -179.81 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 77.3 mt -112.67 30.62 6.98 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.149 0.499 . . . . 10.0 109.696 178.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.033 -0.53 . . . . 10.0 111.438 -179.667 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.235 0.313 0 CA-C-O 120.958 0.409 . . . . 10.0 110.817 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -73.31 135.87 44.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.76 -0.655 . . . . 10.0 109.852 179.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -104.92 139.86 39.02 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.526 -0.306 . . . . 10.0 110.81 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -133.92 123.29 24.44 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.52 -0.309 . . . . 10.0 110.317 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 39.1 mttm -92.59 112.15 24.0 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.4 -0.364 . . . . 10.0 110.428 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.421 HD22 ' HG ' ' B' ' 159' ' ' LEU . 15.4 mt -114.01 124.68 52.73 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.997 -178.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . 0.518 HG11 ' CD2' ' B' ' 71' ' ' TYR . 97.2 t -114.11 128.6 71.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.332 179.499 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.74 HG12 ' HD2' ' B' ' 16' ' ' LYS . 2.6 t -87.35 118.5 33.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.075 0.464 . . . . 10.0 109.999 179.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.407 HG23 ' HA ' ' B' ' 80' ' ' CYS . 9.9 m -115.46 151.31 17.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 120.904 0.383 . . . . 10.0 111.164 -179.203 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 148.36 -179.6 25.08 Favored Glycine 0 N--CA 1.442 -0.93 0 N-CA-C 110.601 -0.999 . . . . 10.0 110.601 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.31 -173.74 1.16 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.414 0.626 . . . . 10.0 111.485 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -102.41 139.9 37.41 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.624 -0.716 . . . . 10.0 109.871 179.034 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . 0.736 ' HA2' ' HE1' ' B' ' 32' ' ' TYR . . . 91.6 1.06 71.71 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.792 -0.718 . . . . 10.0 112.151 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 27.7 m -79.91 -23.85 11.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 111.545 0.202 . . . . 10.0 111.545 -179.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.74 31.64 3.61 Favored Glycine 0 C--O 1.225 -0.407 0 C-N-CA 120.707 -0.759 . . . . 10.0 113.545 178.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . 0.74 ' HD2' HG12 ' B' ' 8' ' ' VAL . 10.1 mtmm -65.53 -38.75 90.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.934 0.367 . . . . 10.0 110.384 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 2.9 m -74.02 -41.32 62.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.8 -0.636 . . . . 10.0 110.219 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.35 -45.7 80.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.973 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 89.6 mt -63.37 -44.94 93.31 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.361 -0.381 . . . . 10.0 110.987 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 41.3 m -64.69 -42.62 95.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.036 0.446 . . . . 10.0 110.781 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 78.6 mt -64.46 -34.93 72.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.839 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' GLN . . . . . 0.748 ' HB3' ' HG3' ' B' ' 149' ' ' ARG . 14.6 mm-40 -69.9 -12.76 61.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.2 0.524 . . . . 10.0 110.896 178.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.429 HD22 ' CD2' ' B' ' 156' ' ' PHE . 30.1 tp -100.36 -42.06 6.78 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.934 -0.576 . . . . 10.0 110.872 179.65 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 41.0 mm -84.8 -67.19 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.176 -0.466 . . . . 10.0 111.997 -179.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -76.26 -23.14 54.46 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.536 -0.302 . . . . 10.0 111.72 -179.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 29.7 m-80 68.25 50.08 0.78 Allowed 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 113.516 0.932 . . . . 10.0 113.516 178.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -162.25 166.52 25.33 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.916 -0.402 . . . . 10.0 109.916 178.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -105.51 141.75 36.44 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.077 0.465 . . . . 10.0 111.632 -179.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 2.2 m -115.56 127.75 73.03 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 CA-C-N 115.793 -0.64 . . . . 10.0 110.006 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -90.66 -19.0 24.11 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.439 0.638 . . . . 10.0 110.348 179.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -81.47 140.66 34.48 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.58 -0.736 . . . . 10.0 109.592 179.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . 0.736 ' HE1' ' HA2' ' B' ' 13' ' ' GLY . 33.5 t80 -89.8 114.75 26.52 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.545 0.212 . . . . 10.0 110.453 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -113.4 101.2 53.3 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.081 179.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.27 115.2 2.21 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 123.083 2.522 . . . . 10.0 112.256 -179.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -97.44 101.97 13.63 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.845 -179.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 31.5 mm -72.32 -52.64 22.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 108.987 -0.746 . . . . 10.0 108.987 179.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -165.58 95.04 0.62 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.091 -0.959 . . . . 10.0 109.392 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -133.98 138.41 45.42 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.655 -0.498 . . . . 10.0 109.655 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 28.9 p -124.98 155.21 40.0 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.5 0.556 . . . . 10.0 112.5 -178.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -135.7 152.21 50.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.949 -0.568 . . . . 10.0 109.89 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -122.96 134.7 54.33 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.692 0.282 . . . . 10.0 110.936 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 40.2 tttp -145.13 136.65 25.27 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.468 -0.333 . . . . 10.0 110.775 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -104.27 123.32 47.15 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.956 -0.757 . . . . 10.0 108.956 178.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 2.4 m -134.2 166.31 29.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 112.729 0.64 . . . . 10.0 112.729 -177.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 14.9 t -105.44 92.34 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.323 -0.853 . . . . 10.0 109.609 179.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 35.3 mt -103.53 122.87 56.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.662 -0.244 . . . . 10.0 110.673 -178.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 59.63 20.56 9.17 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.917 -0.583 . . . . 10.0 112.039 179.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.72 3.14 64.54 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.868 -0.682 . . . . 10.0 112.345 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -109.15 120.76 43.49 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.808 0.337 . . . . 10.0 111.036 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 6.1 m -78.83 108.89 12.61 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.201 -1.037 . . . . 10.0 108.201 178.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -126.89 159.77 32.95 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.632 0.605 . . . . 10.0 112.632 -177.428 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 41.7 tp -107.48 122.68 47.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.377 -0.829 . . . . 10.0 109.103 179.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 35.3 mt -100.21 129.21 46.2 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 112.251 0.463 . . . . 10.0 112.251 -178.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -104.3 98.59 8.36 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.466 -1.309 . . . . 10.0 107.466 178.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 6.9 mt -98.88 136.77 28.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.36 -0.382 . . . . 10.0 111.972 -177.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 49.2 tp -136.73 118.35 14.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.05 -0.523 . . . . 10.0 111.064 179.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . 0.481 ' OD1' ' HE2' ' B' ' 16' ' ' LYS . 16.0 t0 -98.68 132.87 43.73 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 109.59 -0.522 . . . . 10.0 109.59 178.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . 0.524 HG21 ' CE1' ' B' ' 71' ' ' TYR . 0.9 OUTLIER -121.26 153.76 37.24 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.084 0.468 . . . . 10.0 111.914 -179.352 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.69 125.7 26.09 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.704 -0.68 . . . . 10.0 111.383 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -96.83 31.19 7.85 Favored Glycine 0 N--CA 1.451 -0.364 0 N-CA-C 110.562 -1.015 . . . . 10.0 110.562 179.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -88.89 13.29 13.02 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.453 -0.374 . . . . 10.0 111.363 -179.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.447 ' HB3' ' H ' ' B' ' 63' ' ' GLU . 58.4 mm-40 59.33 -161.98 0.25 Allowed 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.654 -0.703 . . . . 10.0 111.894 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . 0.447 ' H ' ' HB3' ' B' ' 62' ' ' GLU . 4.9 tm-20 73.13 -42.33 0.53 Allowed 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.677 0.61 . . . . 10.0 111.76 179.342 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' TYR . . . . . 0.687 ' HB3' ' HB3' ' B' ' 67' ' ' MET . 33.3 m-85 -75.28 65.63 1.64 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.847 0.356 . . . . 10.0 111.46 -179.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.9 -50.5 28.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.174 0.511 . . . . 10.0 110.692 179.664 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.7 -21.62 63.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.656 -0.702 . . . . 10.0 111.532 -179.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . 0.687 ' HB3' ' HB3' ' B' ' 64' ' ' TYR . 37.9 ttp -79.97 -20.86 44.56 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.006 0.432 . . . . 10.0 110.238 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' ARG . . . . . 0.53 ' HG3' ' OH ' ' B' ' 71' ' ' TYR . 1.7 ttp180 -70.64 -49.1 51.09 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.972 -0.558 . . . . 10.0 111.311 -179.616 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.468 ' O ' ' HG3' ' B' ' 73' ' ' ARG . 0.9 OUTLIER -51.11 -39.43 56.15 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.548 -179.565 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -49.83 -61.85 1.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.339 -0.846 . . . . 10.0 112.669 -179.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' TYR . . . . . 0.53 ' OH ' ' HG3' ' B' ' 68' ' ' ARG . 42.0 p90 -79.05 -19.3 51.74 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 113.466 0.913 . . . . 10.0 113.466 -178.688 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . 0.512 ' HA ' ' HZ ' ' B' ' 78' ' ' PHE . 43.8 mtt -65.07 -30.09 71.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.038 0.447 . . . . 10.0 111.32 179.63 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . 0.468 ' HG3' ' O ' ' B' ' 69' ' ' ASP . 71.5 mtt180 -72.32 -41.89 66.02 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.512 -0.313 . . . . 10.0 111.02 179.371 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 35.2 m -78.63 -42.64 28.29 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.632 0.604 . . . . 10.0 112.632 -178.313 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -56.16 124.35 34.13 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.981 -0.628 . . . . 10.0 113.0 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -89.94 -40.32 12.45 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.036 0.446 . . . . 10.0 110.144 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -122.19 130.28 7.92 Favored Glycine 0 N--CA 1.442 -0.922 0 N-CA-C 110.56 -1.016 . . . . 10.0 110.56 179.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . 0.643 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 92.2 m-85 -110.31 122.48 47.77 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.544 0.688 . . . . 10.0 111.668 -179.01 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.473 HD23 HG13 ' B' ' 8' ' ' VAL . 20.0 tp -95.85 100.72 12.38 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.471 -0.786 . . . . 10.0 109.879 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . 0.407 ' HA ' HG23 ' B' ' 9' ' ' VAL . 0.5 OUTLIER -83.43 107.8 16.17 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.396 -0.365 . . . . 10.0 110.294 179.246 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . 0.472 ' HA ' ' O ' ' B' ' 114' ' ' VAL . 72.4 t -112.4 123.91 68.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.038 0.447 . . . . 10.0 111.037 -179.186 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 42.1 p90 -122.84 165.26 16.94 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.16 -0.682 . . . . 10.0 109.16 179.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.518 ' HB3' ' HB3' ' B' ' 86' ' ' ASN . . . -103.09 130.26 50.19 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.808 -0.441 . . . . 10.0 109.808 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . 0.668 HD13 ' HA ' ' B' ' 118' ' ' CYS . 29.5 pt -64.5 -16.88 20.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 111.855 0.317 . . . . 10.0 111.855 -179.478 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 23.2 p-10 -104.66 13.88 30.77 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.19 0.519 . . . . 10.0 110.365 179.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.518 ' HB3' ' HB3' ' B' ' 83' ' ' ALA . 17.6 t-20 -138.57 87.29 2.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.598 -0.728 . . . . 10.0 109.815 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.55 -29.77 66.62 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.999 -0.546 . . . . 10.0 112.255 -179.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 24.6 tptp -60.2 -45.06 94.45 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.407 -0.361 . . . . 10.0 110.58 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 93.1 p -64.77 -30.39 71.4 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-O 120.863 0.363 . . . . 10.0 110.645 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -70.83 -39.69 72.87 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.424 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -70.24 -32.51 70.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.476 179.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 92' ' ' ASP . . . . . 0.487 ' HA ' ' HD2' ' B' ' 95' ' ' HIS . 2.3 m-20 -68.25 -21.17 64.84 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.888 -0.596 . . . . 10.0 112.371 -179.689 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 47.9 mm -56.99 -46.36 84.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.66 0.267 . . . . 10.0 111.126 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -63.18 -36.47 83.74 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.044 0.45 . . . . 10.0 111.089 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 95' ' ' HIS . . . . . 0.487 ' HD2' ' HA ' ' B' ' 92' ' ' ASP . 99.7 m-70 -66.53 -41.91 88.02 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.978 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -71.49 -42.25 68.3 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.119 -0.492 . . . . 10.0 110.025 179.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 97' ' ' ARG . . . . . 0.44 ' HD3' ' HE2' ' B' ' 101' ' ' LYS . 2.9 tmt_? -56.06 -48.91 75.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.841 -0.618 . . . . 10.0 111.484 -179.455 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -65.28 -35.38 80.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.642 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -69.71 -45.03 69.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.472 -0.331 . . . . 10.0 111.08 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . 0.431 HG13 ' HE1' ' B' ' 72' ' ' MET . 94.7 mt -55.49 -47.2 78.76 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.027 179.522 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 101' ' ' LYS . . . . . 0.463 ' HB2' ' HE3' ' B' ' 101' ' ' LYS . 30.6 mtmt -64.57 -24.74 67.7 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.554 -0.748 . . . . 10.0 112.022 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 25.6 ttm180 -77.21 -47.41 20.3 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.89 0.376 . . . . 10.0 110.309 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 39.5 t -63.79 -45.19 97.9 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 CA-C-N 115.773 -0.649 . . . . 10.0 111.058 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . 0.47 ' HD2' ' HE2' ' B' ' 78' ' ' PHE . 26.7 mtpp -80.29 -16.74 53.96 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.65 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 26.8 t70 54.14 66.44 1.23 Allowed 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.288 -0.869 . . . . 10.0 111.37 -179.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 34.8 t -171.66 140.77 1.37 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.511 -0.768 . . . . 10.0 110.282 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -83.7 -18.85 36.53 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.191 -0.67 . . . . 10.0 109.191 178.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -96.98 85.74 3.82 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.688 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 73.5 t -122.61 119.55 28.18 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 116.185 -0.462 . . . . 10.0 109.935 179.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -58.08 110.9 0.7 Allowed 'Trans proline' 0 C--O 1.237 0.458 0 C-N-CA 123.014 2.476 . . . . 10.0 111.664 179.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 111' ' ' MET . . . . . 0.643 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 50.9 mtm -142.64 147.32 35.58 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.635 -0.711 . . . . 10.0 110.171 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 88.8 t -130.66 126.2 60.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 109.506 -0.553 . . . . 10.0 109.506 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 21.0 tp -85.07 112.11 20.36 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.833 -0.432 . . . . 10.0 109.833 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 114' ' ' VAL . . . . . 0.472 ' O ' ' HA ' ' B' ' 81' ' ' VAL . 99.1 t -123.35 130.99 73.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.193 -178.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -101.64 134.22 11.65 Favored Glycine 0 N--CA 1.442 -0.934 0 N-CA-C 110.567 -1.013 . . . . 10.0 110.567 178.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -106.51 164.78 11.78 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.87 0.335 . . . . 10.0 110.445 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . 0.686 ' HB3' HD12 ' B' ' 120' ' ' LEU . 82.9 mttt 65.18 28.25 12.16 Favored 'General case' 0 N--CA 1.463 0.211 0 O-C-N 123.722 0.639 . . . . 10.0 111.625 179.579 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 118' ' ' CYS . . . . . 0.668 ' HA ' HD13 ' B' ' 84' ' ' ILE . 60.3 m -66.62 -10.74 48.9 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 112.754 0.65 . . . . 10.0 112.754 -179.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -91.2 -4.87 55.67 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.897 0.38 . . . . 10.0 110.824 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . 0.686 HD12 ' HB3' ' B' ' 117' ' ' LYS . 14.1 mt -80.95 129.58 67.01 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.75 179.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 121' ' ' PRO . . . . . 0.499 ' HD3' ' HA ' ' B' ' 120' ' ' LEU . 14.9 Cg_exo -69.17 153.49 71.56 Favored 'Trans proline' 0 C--O 1.235 0.325 0 C-N-CA 123.008 2.472 . . . . 10.0 112.092 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 7.4 m 61.5 76.79 0.35 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.676 -0.693 . . . . 10.0 111.988 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 123' ' ' ARG . . . . . 0.593 ' HB3' HD12 ' B' ' 84' ' ' ILE . 6.4 ptp180 -86.48 159.95 19.15 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.768 -0.651 . . . . 10.0 111.014 -179.658 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.38 -39.45 5.66 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.119 -0.491 . . . . 10.0 109.691 178.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 125' ' ' VAL . . . . . 0.561 ' O ' ' HD3' ' B' ' 123' ' ' ARG . 61.6 t -89.64 118.82 35.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 109.231 -0.655 . . . . 10.0 109.231 178.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 126' ' ' ASP . . . . . 0.6 ' O ' ' HG2' ' B' ' 129' ' ' GLN . 11.6 t70 -82.0 137.76 35.04 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.708 -179.406 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 11.3 m -56.62 -36.55 69.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.066 0.46 . . . . 10.0 111.312 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.14 -49.39 74.07 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.667 -0.697 . . . . 10.0 111.259 -179.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . 0.6 ' HG2' ' O ' ' B' ' 126' ' ' ASP . 3.1 pt20 -70.54 -34.65 72.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.048 0.451 . . . . 10.0 111.666 -179.241 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.79 -41.19 88.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.563 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -71.3 -31.45 67.45 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.926 -0.579 . . . . 10.0 110.47 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -64.06 -40.06 95.44 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 109.47 -0.567 . . . . 10.0 109.47 178.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 23.3 tp -67.78 -40.65 83.95 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.851 -0.613 . . . . 10.0 109.588 178.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.75 -37.0 85.72 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.086 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 135' ' ' ARG . . . . . 0.572 ' HG3' ' HG2' ' C' ' 161' ' ' ARG . 0.3 OUTLIER -64.1 -42.36 96.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.476 179.41 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 23.9 m -70.96 -17.28 62.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.458 0.647 . . . . 10.0 110.911 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 9.6 m-30 -90.46 -39.77 12.42 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.528 -0.76 . . . . 10.0 109.596 178.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 95.12 15.89 43.09 Favored Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 110.723 -0.951 . . . . 10.0 110.723 -179.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 47.4 pt -114.01 157.74 41.22 Favored Pre-proline 0 C--N 1.321 -0.638 0 N-CA-C 110.167 -0.308 . . . . 10.0 110.167 -179.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo -74.94 149.27 36.74 Favored 'Trans proline' 0 C--O 1.236 0.422 0 C-N-CA 122.784 2.323 . . . . 10.0 112.575 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -119.42 134.59 55.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.767 -0.651 . . . . 10.0 109.52 179.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 142' ' ' ILE . . . . . 0.409 ' CD1' ' HA ' ' B' ' 155' ' ' ALA . 26.9 mt -133.32 137.05 53.99 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 CA-C-O 120.99 0.424 . . . . 10.0 111.739 -179.239 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -99.23 121.55 41.21 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 108.594 -0.891 . . . . 10.0 108.594 178.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 144' ' ' THR . . . . . 0.505 HG22 ' HA3' ' B' ' 151' ' ' GLY . 72.0 p -134.28 179.24 6.39 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.564 0.697 . . . . 10.0 112.545 -178.079 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 3.0 t -153.21 126.15 8.4 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.822 -1.081 . . . . 10.0 108.429 178.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -78.54 -30.51 47.01 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.915 -0.402 . . . . 10.0 109.915 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -63.11 -35.45 80.32 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.673 -0.694 . . . . 10.0 111.136 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 32.2 p -104.85 -11.66 16.65 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 121.02 -0.272 . . . . 10.0 111.558 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 149' ' ' ARG . . . . . 0.748 ' HG3' ' HB3' ' B' ' 22' ' ' GLN . 2.8 ttt-85 63.7 25.38 14.2 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.196 0.522 . . . . 10.0 111.127 -178.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -91.57 129.65 37.51 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.238 -179.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 151' ' ' GLY . . . . . 0.505 ' HA3' HG22 ' B' ' 144' ' ' THR . . . 85.63 -8.87 70.21 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.992 -0.623 . . . . 10.0 112.208 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 54.7 t -56.22 -42.28 72.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.015 0.436 . . . . 10.0 111.369 -179.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -67.54 -50.37 58.97 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.779 0.323 . . . . 10.0 111.025 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -56.3 -41.1 75.39 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.887 -0.597 . . . . 10.0 111.892 -178.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 155' ' ' ALA . . . . . 0.409 ' HA ' ' CD1' ' B' ' 142' ' ' ILE . . . -59.1 -53.9 53.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.964 -0.562 . . . . 10.0 111.568 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 156' ' ' PHE . . . . . 0.429 ' CD2' HD22 ' B' ' 23' ' ' LEU . 18.7 m-85 -68.58 -35.74 77.78 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.223 -0.444 . . . . 10.0 112.186 -178.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -61.12 -45.3 95.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.073 0.463 . . . . 10.0 110.578 179.191 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 22.8 m -69.18 -34.09 74.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.817 -0.628 . . . . 10.0 110.791 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 159' ' ' LEU . . . . . 0.421 ' HG ' HD22 ' B' ' 6' ' ' LEU . 32.9 tp -60.02 -42.74 95.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.023 -0.535 . . . . 10.0 111.314 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 62.8 t -74.39 -40.57 49.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.717 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 161' ' ' ARG . . . . . 0.891 ' HG2' ' HG3' ' C' ' 135' ' ' ARG . 7.5 ttp180 -57.5 -37.11 72.45 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.454 -0.794 . . . . 10.0 111.75 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -62.77 -37.17 85.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.386 -0.37 . . . . 10.0 110.837 179.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 59.2 mt -65.42 -42.63 93.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 N-CA-C 109.327 -0.62 . . . . 10.0 109.327 179.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 -60.94 -41.74 96.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 10.0 109.713 178.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 165' ' ' LYS . . . . . 0.47 ' HB2' ' HD3' ' C' ' 135' ' ' ARG . 34.7 ttmt . . . . . 0 C--O 1.235 0.291 0 CA-C-N 115.537 -0.756 . . . . 10.0 110.327 179.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 4.2 m . . . . . 0 N--CA 1.45 -0.43 0 CA-C-O 120.739 0.304 . . . . 10.0 110.351 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -81.17 129.76 34.72 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.365 -0.38 . . . . 10.0 110.646 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -90.19 138.86 31.18 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.916 -0.402 . . . . 10.0 109.916 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -133.78 120.55 20.66 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 110.096 -0.335 . . . . 10.0 110.096 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 5' ' ' LYS . . . . . 0.49 ' HA ' ' HB3' ' C' ' 54' ' ' ASP . 58.1 mttm -85.53 106.09 16.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.948 0.404 . . . . 10.0 111.063 -179.247 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . 0.458 ' O ' ' HA ' ' C' ' 55' ' ' ILE . 44.2 mt -106.68 118.62 37.15 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.687 -0.688 . . . . 10.0 110.781 -179.119 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 58.1 t -106.63 128.35 61.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.544 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.686 HG12 ' HD2' ' C' ' 16' ' ' LYS . 4.6 t -93.45 119.65 41.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 109.627 -0.508 . . . . 10.0 109.627 179.465 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 7.0 m -116.94 140.98 37.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.959 0.409 . . . . 10.0 111.154 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 166.57 168.23 28.44 Favored Glycine 0 N--CA 1.444 -0.809 0 C-N-CA 120.598 -0.811 . . . . 10.0 111.464 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.39 -164.93 0.09 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.732 0.777 . . . . 10.0 112.805 -179.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -86.02 142.96 28.38 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.395 -0.82 . . . . 10.0 111.976 -179.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 59.35 30.47 67.91 Favored Glycine 0 N--CA 1.448 -0.543 0 CA-C-N 115.493 -0.776 . . . . 10.0 114.663 178.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 22.4 m -89.76 -28.33 5.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 117.634 0.717 . . . . 10.0 111.663 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . 0.414 ' HA3' ' ND2' ' C' ' 116' ' ' ASN . . . 118.82 18.89 4.6 Favored Glycine 0 C--O 1.227 -0.284 0 C-N-CA 120.654 -0.784 . . . . 10.0 114.243 178.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . 0.686 ' HD2' HG12 ' C' ' 8' ' ' VAL . 15.5 mtmm -62.03 -42.94 99.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.398 0.618 . . . . 10.0 111.024 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 24.5 m -72.87 -43.56 62.39 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.916 -0.583 . . . . 10.0 110.06 179.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.76 -47.21 83.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.356 -0.384 . . . . 10.0 111.413 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 19' ' ' LEU . . . . . 0.403 HD23 HG22 ' C' ' 152' ' ' VAL . 36.0 mt -59.73 -47.89 83.85 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.984 0.421 . . . . 10.0 110.77 179.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 11.8 m -65.85 -49.16 69.15 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 115.603 -0.726 . . . . 10.0 112.205 -179.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 88.7 mt -60.48 -39.19 80.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.034 0.445 . . . . 10.0 110.891 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 22' ' ' GLN . . . . . 0.572 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 1.7 mm100 -69.01 -15.02 63.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.17 -0.468 . . . . 10.0 111.524 179.436 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 18.4 tp -97.94 -37.38 9.82 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.172 0.511 . . . . 10.0 110.871 179.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 41.7 mm -79.13 -63.61 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.077 -0.51 . . . . 10.0 111.347 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 25' ' ' GLN . . . . . 0.42 ' HB2' ' HD2' ' C' ' 27' ' ' HIS . 69.4 mt-30 -89.06 -18.01 28.16 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.715 0.265 . . . . 10.0 111.715 -179.09 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 26' ' ' ASN . . . . . 0.572 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 24.5 m-80 67.67 40.96 2.37 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 113.583 0.957 . . . . 10.0 113.583 178.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 27' ' ' HIS . . . . . 0.42 ' HD2' ' HB2' ' C' ' 25' ' ' GLN . 3.9 p80 -141.75 152.19 43.57 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.15 -0.477 . . . . 10.0 109.893 178.422 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -104.49 130.54 52.41 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.966 0.412 . . . . 10.0 110.813 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 2.9 m -96.24 145.46 8.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.02 -0.537 . . . . 10.0 110.203 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -101.43 -17.34 16.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.317 0.579 . . . . 10.0 110.186 179.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -92.23 140.28 29.77 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.461 -0.79 . . . . 10.0 110.289 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -86.98 119.79 27.56 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.997 -0.547 . . . . 10.0 111.131 -179.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . 0.404 ' HA ' ' HD3' ' C' ' 34' ' ' PRO . 19.1 t70 -111.74 115.06 51.61 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.218 -0.447 . . . . 10.0 110.362 178.605 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 34' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' C' ' 33' ' ' ASP . 22.1 Cg_exo -66.27 100.86 0.48 Allowed 'Trans proline' 0 N--CA 1.462 -0.357 0 C-N-CA 122.551 2.167 . . . . 10.0 111.466 179.655 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -88.5 132.95 34.29 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.344 179.688 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . 0.717 ' HA ' ' HB2' ' C' ' 59' ' ' ALA . 48.0 mm -104.78 -58.04 4.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.028 -0.73 . . . . 10.0 109.028 178.401 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -152.01 89.79 1.48 Allowed 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.713 -0.676 . . . . 10.0 110.24 179.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -128.16 130.18 47.66 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 110.055 -0.35 . . . . 10.0 110.055 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 22.6 p -120.48 151.92 38.7 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.22 0.533 . . . . 10.0 112.425 -178.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -133.07 154.67 50.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.741 -0.663 . . . . 10.0 109.405 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -123.4 124.14 42.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.967 0.413 . . . . 10.0 111.068 -179.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -137.34 135.19 36.83 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.458 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -110.18 114.15 27.41 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.06 0.457 . . . . 10.0 110.477 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 5.9 m -127.27 169.03 19.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.967 -0.56 . . . . 10.0 111.129 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 47.0 t -96.93 99.79 9.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.938 0.399 . . . . 10.0 110.412 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 49.6 mt -107.25 119.81 57.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.299 -0.41 . . . . 10.0 110.794 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 66.93 8.35 6.02 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.249 -0.887 . . . . 10.0 112.24 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 111.68 -18.66 24.51 Favored Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.701 -0.762 . . . . 10.0 112.539 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 49' ' ' GLU . . . . . 0.483 ' HB3' ' NH2' ' C' ' 164' ' ' ARG . 45.1 tt0 -104.6 137.22 42.76 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.607 0.242 . . . . 10.0 110.47 -179.613 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -69.71 127.13 31.87 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.673 -0.491 . . . . 10.0 109.673 179.279 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 9.1 m -125.16 135.2 52.4 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 112.065 0.395 . . . . 10.0 112.065 -178.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 53.2 tp -94.84 104.43 16.33 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.077 -1.083 . . . . 10.0 108.077 178.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 32.1 mt -82.45 116.25 21.82 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 112.628 0.603 . . . . 10.0 112.628 -177.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . 0.49 ' HB3' ' HA ' ' C' ' 5' ' ' LYS . 32.7 t70 -98.59 88.85 4.2 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 107.436 -1.32 . . . . 10.0 107.436 177.339 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 55' ' ' ILE . . . . . 0.458 ' HA ' ' O ' ' C' ' 6' ' ' LEU . 21.3 mt -93.61 135.1 29.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.765 -0.652 . . . . 10.0 111.736 -177.643 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 22.5 tp -133.33 122.77 24.3 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.88 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 57' ' ' ASP . . . . . 0.57 ' OD1' ' HE2' ' C' ' 16' ' ' LYS . 24.5 t0 -87.25 132.65 33.84 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 109.215 -0.661 . . . . 10.0 109.215 178.618 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 44.8 p -103.16 149.99 24.1 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.92 0.39 . . . . 10.0 111.427 -178.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 59' ' ' ALA . . . . . 0.717 ' HB2' ' HA ' ' C' ' 36' ' ' ILE . . . -69.27 111.93 5.51 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.356 179.123 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -85.4 25.76 6.14 Favored Glycine 0 C--O 1.23 -0.121 0 C-N-CA 120.839 -0.696 . . . . 10.0 112.983 -179.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -95.18 6.81 48.02 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.529 0.204 . . . . 10.0 110.973 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 62' ' ' GLU . . . . . 0.452 ' HA ' ' OE1' ' C' ' 62' ' ' GLU . 0.7 OUTLIER 62.59 -148.76 0.36 Allowed 'General case' 0 C--O 1.236 0.367 0 N-CA-C 109.46 -0.57 . . . . 10.0 109.46 -178.678 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 72.28 -49.29 0.69 Allowed 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 112.604 0.594 . . . . 10.0 112.604 178.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 64' ' ' TYR . . . . . 0.736 ' HB3' ' HB3' ' C' ' 67' ' ' MET . 54.8 m-85 -75.93 70.71 2.69 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.597 0.592 . . . . 10.0 112.597 -178.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.18 -25.66 52.07 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.925 0.393 . . . . 10.0 110.721 179.477 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -91.83 -35.99 13.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.495 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 67' ' ' MET . . . . . 0.736 ' HB3' ' HB3' ' C' ' 64' ' ' TYR . 34.7 ttp -67.16 -25.56 66.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.387 0.613 . . . . 10.0 110.928 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 68' ' ' ARG . . . . . 0.606 ' HA ' ' CZ ' ' C' ' 71' ' ' TYR . 0.2 OUTLIER -66.07 -31.24 72.0 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.668 -0.697 . . . . 10.0 111.477 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -59.31 -36.41 75.57 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 112.746 0.647 . . . . 10.0 112.746 -178.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -64.25 -59.83 3.93 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 113.138 0.792 . . . . 10.0 113.138 -178.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 71' ' ' TYR . . . . . 0.606 ' CZ ' ' HA ' ' C' ' 68' ' ' ARG . 7.8 p90 -69.06 -21.92 64.06 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.043 1.127 . . . . 10.0 114.043 -178.615 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 72' ' ' MET . . . . . 0.605 ' HE1' HG13 ' C' ' 100' ' ' ILE . 26.6 mtt -72.91 -28.93 62.75 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.122 0.487 . . . . 10.0 111.127 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 36.7 ttm105 -86.12 -35.34 20.25 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.419 179.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 3.3 m -79.5 -23.22 43.11 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.806 -0.634 . . . . 10.0 111.836 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -82.08 143.99 23.44 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.595 -0.812 . . . . 10.0 113.588 -179.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -102.09 -54.13 2.77 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.307 0.575 . . . . 10.0 109.791 179.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -106.34 132.28 11.05 Favored Glycine 0 N--CA 1.445 -0.703 0 N-CA-C 110.816 -0.914 . . . . 10.0 110.816 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 78' ' ' PHE . . . . . 0.701 ' HB2' ' HG2' ' C' ' 111' ' ' MET . 97.6 m-85 -113.96 124.4 52.08 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.182 0.515 . . . . 10.0 111.939 -179.255 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 16.8 tp -98.81 107.82 20.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.747 -0.66 . . . . 10.0 109.963 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 80' ' ' CYS . . . . . 0.615 ' HB3' HD12 ' C' ' 93' ' ' ILE . 4.2 m -82.85 92.76 7.34 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.45 -179.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 62.7 t -95.22 130.28 44.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.087 0.47 . . . . 10.0 111.543 -179.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 82' ' ' PHE . . . . . 0.594 ' HB2' ' HB2' ' C' ' 89' ' ' SER . 29.4 p90 -144.22 147.85 34.16 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.697 -0.683 . . . . 10.0 109.847 178.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -88.0 134.37 33.75 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.489 -0.323 . . . . 10.0 110.168 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 84' ' ' ILE . . . . . . . . . . . . . 29.6 pt -69.0 -15.73 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.953 0.406 . . . . 10.0 111.858 -179.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 26.4 p-10 -104.15 22.47 14.67 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.45 0.643 . . . . 10.0 110.056 179.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 86' ' ' ASN . . . . . 0.536 ' OD1' ' HB3' ' C' ' 88' ' ' LYS . 38.0 t-20 -147.13 99.39 3.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.609 -0.723 . . . . 10.0 110.518 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 1.8 m -63.46 -26.89 68.93 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.003 -0.544 . . . . 10.0 111.932 -179.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 88' ' ' LYS . . . . . 0.536 ' HB3' ' OD1' ' C' ' 86' ' ' ASN . 21.6 tptp -57.51 -49.38 76.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.682 -0.236 . . . . 10.0 110.52 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 89' ' ' SER . . . . . 0.594 ' HB2' ' HB2' ' C' ' 82' ' ' PHE . 0.1 OUTLIER -66.89 -27.2 67.32 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.052 -0.522 . . . . 10.0 111.918 -179.887 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -69.41 -49.58 53.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.834 0.349 . . . . 10.0 111.258 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -74.34 -23.86 59.1 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.362 -0.381 . . . . 10.0 111.034 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 92' ' ' ASP . . . . . 0.435 ' O ' ' HD2' ' C' ' 96' ' ' TYR . 3.1 m-20 -64.92 -25.73 68.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.913 -0.585 . . . . 10.0 111.466 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 93' ' ' ILE . . . . . 0.615 HD12 ' HB3' ' C' ' 80' ' ' CYS . 36.8 mm -54.93 -41.7 59.59 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 CA-C-O 120.962 0.411 . . . . 10.0 110.653 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -61.46 -43.77 98.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.937 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 60.8 m-70 -62.97 -43.12 99.65 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.618 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 96' ' ' TYR . . . . . 0.435 ' HD2' ' O ' ' C' ' 92' ' ' ASP . 31.2 m-85 -64.84 -44.36 90.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.622 179.521 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 35.0 ttt-85 -56.88 -45.13 82.73 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 116.303 -0.408 . . . . 10.0 111.389 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -64.12 -43.73 94.42 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.464 -0.335 . . . . 10.0 111.075 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 99' ' ' GLN . . . . . 0.401 ' O ' HG23 ' C' ' 103' ' ' VAL . 42.8 tt0 -64.04 -43.53 95.27 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.927 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 100' ' ' ILE . . . . . 0.605 HG13 ' HE1' ' C' ' 72' ' ' MET . 77.0 mt -60.56 -50.38 80.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.085 0.469 . . . . 10.0 110.284 179.607 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 101' ' ' LYS . . . . . 0.489 ' HD2' ' HA ' ' C' ' 107' ' ' GLU . 5.2 mtmp? -63.98 -28.31 69.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.876 -0.602 . . . . 10.0 111.796 -179.6 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 14.0 ttm180 -75.13 -48.95 21.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.575 179.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 103' ' ' VAL . . . . . 0.401 HG23 ' O ' ' C' ' 99' ' ' GLN . 87.2 t -63.48 -48.06 88.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.881 -179.464 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -77.55 -15.68 59.11 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.803 0.335 . . . . 10.0 111.411 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 28.6 t70 57.34 53.44 7.59 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.518 -0.764 . . . . 10.0 111.207 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 15.9 t -161.05 143.04 12.18 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.507 -0.77 . . . . 10.0 109.97 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 107' ' ' GLU . . . . . 0.489 ' HA ' ' HD2' ' C' ' 101' ' ' LYS . 1.3 tp10 -85.1 -24.21 28.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.155 179.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -96.25 96.61 8.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.177 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 60.6 t -130.59 129.75 22.8 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.135 -0.484 . . . . 10.0 109.913 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -62.56 99.72 0.21 Allowed 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.602 2.202 . . . . 10.0 111.928 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 111' ' ' MET . . . . . 0.701 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 85.2 mtp -132.24 144.08 50.37 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.214 -179.576 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 68.9 t -129.28 132.12 67.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.311 -0.404 . . . . 10.0 110.547 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 19.8 tp -87.31 120.68 28.85 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.742 -0.466 . . . . 10.0 109.742 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 4.7 t -123.79 118.66 54.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 112.598 0.592 . . . . 10.0 112.598 -179.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -93.34 127.32 8.97 Favored Glycine 0 N--CA 1.443 -0.874 0 N-CA-C 109.188 -1.565 . . . . 10.0 109.188 177.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 116' ' ' ASN . . . . . 0.414 ' ND2' ' HA3' ' C' ' 15' ' ' GLY . 65.7 t30 -112.86 164.92 12.83 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 112.493 0.553 . . . . 10.0 112.493 -178.255 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 117' ' ' LYS . . . . . 0.457 ' HB3' HD12 ' C' ' 120' ' ' LEU . 81.1 mttt 70.76 32.5 2.47 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 113.134 0.79 . . . . 10.0 113.134 179.125 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 118' ' ' CYS . . . . . . . . . . . . . 91.5 m -75.2 11.05 1.27 Allowed 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.491 0.552 . . . . 10.0 112.491 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -97.92 -15.33 20.2 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.659 0.742 . . . . 10.0 109.244 179.14 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 120' ' ' LEU . . . . . 0.457 HD12 ' HB3' ' C' ' 117' ' ' LYS . 15.9 mt -88.61 145.53 35.44 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.123 -0.944 . . . . 10.0 111.204 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -84.73 177.13 5.73 Favored 'Trans proline' 0 N--CA 1.455 -0.744 0 C-N-CA 122.44 2.093 . . . . 10.0 110.598 178.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 1.6 m 56.86 68.13 0.9 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.008 0.432 . . . . 10.0 111.061 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 123' ' ' ARG . . . . . 0.458 ' HD3' ' O ' ' C' ' 125' ' ' VAL . 5.1 ptp180 -80.56 137.27 36.39 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.152 -0.477 . . . . 10.0 111.789 -179.462 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.19 -42.28 10.53 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.321 0.582 . . . . 10.0 109.893 179.38 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 125' ' ' VAL . . . . . 0.458 ' O ' ' HD3' ' C' ' 123' ' ' ARG . 58.2 t -89.65 128.74 41.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.533 -0.758 . . . . 10.0 109.617 179.107 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 126' ' ' ASP . . . . . 0.557 ' O ' ' HG2' ' C' ' 129' ' ' GLN . 1.7 t0 -90.38 139.73 30.39 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.779 -179.542 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 127' ' ' THR . . . . . 0.42 ' O ' ' HG3' ' C' ' 131' ' ' GLN . 5.5 m -60.87 -45.29 95.13 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.405 -0.361 . . . . 10.0 111.31 -179.197 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 4.9 ptmt -57.08 -36.39 70.52 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 113.881 1.067 . . . . 10.0 113.881 -178.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 129' ' ' GLN . . . . . 0.557 ' HG2' ' O ' ' C' ' 126' ' ' ASP . 2.8 pt20 -74.32 -22.57 59.19 Favored 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 111.973 0.36 . . . . 10.0 111.973 -179.191 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -93.32 -27.13 16.97 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.024 179.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 131' ' ' GLN . . . . . 0.559 ' HB3' ' CZ ' ' B' ' 161' ' ' ARG . 82.2 mt-30 -60.15 -60.44 3.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.557 -0.747 . . . . 10.0 112.182 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 132' ' ' ASP . . . . . 0.55 ' HA ' ' HD2' ' B' ' 161' ' ' ARG . 18.6 t70 -69.81 -22.4 63.31 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.741 0.305 . . . . 10.0 111.666 -179.716 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 56.4 tp -64.02 -43.51 95.39 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.757 -0.831 . . . . 10.0 108.757 178.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 134' ' ' ALA . . . . . 0.412 ' HB1' HG13 ' C' ' 139' ' ' ILE . . . -73.62 -29.15 62.19 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.607 -0.724 . . . . 10.0 110.503 179.113 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 135' ' ' ARG . . . . . 0.891 ' HG3' ' HG2' ' B' ' 161' ' ' ARG . 6.4 tmm_? -64.25 -42.9 96.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.886 179.502 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 8.7 t -58.39 -34.35 70.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.951 -179.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -93.77 -24.44 17.8 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.029 0.442 . . . . 10.0 111.735 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 86.71 43.1 6.19 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.867 -0.683 . . . . 10.0 112.152 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 139' ' ' ILE . . . . . 0.412 HG13 ' HB1' ' C' ' 134' ' ' ALA . 10.6 pt -122.24 145.73 45.02 Favored Pre-proline 0 C--N 1.326 -0.421 0 N-CA-C 110.422 -0.214 . . . . 10.0 110.422 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 140' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' C' ' 139' ' ' ILE . 16.3 Cg_exo -68.37 147.63 72.01 Favored 'Trans proline' 0 C--O 1.236 0.399 0 C-N-CA 122.916 2.41 . . . . 10.0 112.197 -179.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -130.12 119.42 23.0 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.812 -0.631 . . . . 10.0 110.546 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 54.8 mt -119.65 133.63 65.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.077 -0.712 . . . . 10.0 109.077 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -125.02 105.85 9.5 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 110.264 -0.273 . . . . 10.0 110.264 -179.603 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 144' ' ' THR . . . . . 0.5 ' HB ' ' H ' ' C' ' 145' ' ' SER . 0.1 OUTLIER -149.54 -146.81 0.21 Allowed 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 111.691 0.256 . . . . 10.0 111.691 -179.774 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 145' ' ' SER . . . . . 0.5 ' H ' ' HB ' ' C' ' 144' ' ' THR . 28.8 t -154.65 143.19 20.64 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.009 0.433 . . . . 10.0 111.257 -178.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -77.68 -32.66 53.23 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.279 -0.637 . . . . 10.0 109.279 178.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -56.8 -39.87 74.92 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.107 -0.952 . . . . 10.0 111.13 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 148' ' ' THR . . . . . 0.421 ' C ' ' H ' ' C' ' 150' ' ' GLN . 0.0 OUTLIER -90.39 -9.83 46.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 10.0 111.575 -179.848 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 73.65 -28.98 0.19 Allowed 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.653 0.781 . . . . 10.0 112.323 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 150' ' ' GLN . . . . . 0.421 ' H ' ' C ' ' C' ' 148' ' ' THR . 56.6 tt0 -62.91 127.21 30.2 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.868 -0.605 . . . . 10.0 110.499 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 99.2 -16.8 58.81 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.91 -0.662 . . . . 10.0 112.867 179.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 152' ' ' VAL . . . . . 0.403 HG22 HD23 ' C' ' 19' ' ' LEU . 98.8 t -68.0 -39.64 81.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.715 0.293 . . . . 10.0 111.076 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -59.64 -54.08 50.61 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.81 0.338 . . . . 10.0 110.589 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -63.04 -33.81 76.24 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.867 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -56.4 -32.08 64.47 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.374 -0.375 . . . . 10.0 111.624 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -101.3 -27.68 13.05 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.405 -0.361 . . . . 10.0 111.283 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -66.96 -55.5 14.25 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.33 0.493 . . . . 10.0 112.33 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 158' ' ' THR . . . . . 0.414 ' O ' ' HG2' ' C' ' 162' ' ' GLU . 22.9 m -60.21 -34.92 74.32 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 120.683 0.277 . . . . 10.0 111.508 -179.529 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 57.1 tp -58.4 -46.8 85.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 10.0 111.312 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 98.6 t -66.77 -37.88 80.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.195 0.522 . . . . 10.0 110.355 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 161' ' ' ARG . . . . . 0.572 ' HG2' ' HG3' ' B' ' 135' ' ' ARG . 8.9 ttp180 -64.59 -34.71 78.9 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.571 -0.74 . . . . 10.0 111.061 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 162' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' C' ' 158' ' ' THR . 5.0 mm-40 -66.87 -31.99 72.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.351 -0.386 . . . . 10.0 110.668 179.23 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 57.2 mt -65.67 -38.11 81.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 108.922 -0.77 . . . . 10.0 108.922 178.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 164' ' ' ARG . . . . . 0.483 ' NH2' ' HB3' ' C' ' 49' ' ' GLU . 69.3 mtt180 -69.47 -44.53 70.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.123 -0.944 . . . . 10.0 109.114 178.605 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 31.7 ttmt -59.71 -40.13 86.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.78 -0.646 . . . . 10.0 110.753 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 19.8 t-80 -55.76 -46.83 77.78 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.06 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 96.4 mttt . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 116.075 -0.511 . . . . 10.0 111.03 -179.547 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? . . . . . 0 C--O 1.236 0.342 0 N-CA-C 111.56 0.208 . . . . 10.0 111.56 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 89.0 mt -68.48 -34.16 75.44 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.065 0.394 . . . . 10.0 112.065 -179.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 73.7 mt -68.58 -50.66 50.0 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.132 -0.485 . . . . 10.0 111.034 -179.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.26 -38.28 86.14 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 121.014 0.435 . . . . 10.0 111.314 179.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 206' ' ' ASN . . . . . 0.487 HD22 ' HA ' ' A' ' 206' ' ' ASN . 1.6 m120 -72.61 -26.54 61.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.253 -0.431 . . . . 10.0 111.271 179.639 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 7.8 t90 -70.31 -28.37 65.12 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.649 -0.5 . . . . 10.0 109.649 179.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -63.16 -34.19 77.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.9 -0.591 . . . . 10.0 110.356 179.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.99 -29.24 67.4 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.305 0.574 . . . . 10.0 109.906 178.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 23.4 t -74.44 -40.81 49.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 108.81 -0.811 . . . . 10.0 108.81 178.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 22.4 m -60.62 -45.72 92.97 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.568 -0.742 . . . . 10.0 110.331 179.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 2.8 p -64.66 -45.39 86.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.356 -0.383 . . . . 10.0 110.67 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 88.8 m -59.79 -45.33 92.64 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.327 178.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -64.1 -37.91 89.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.562 179.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 215' ' ' SER . . . . . 0.566 ' O ' ' HG3' ' A' ' 219' ' ' GLU . 61.6 m -62.26 -46.28 89.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.072 -0.513 . . . . 10.0 109.83 179.047 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -65.4 -39.39 92.14 Favored 'General case' 0 CA--C 1.521 -0.137 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.032 179.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 217' ' ' LEU . . . . . 0.434 ' O ' ' HG ' ' A' ' 221' ' ' LEU . 52.7 mt -59.45 -42.56 92.25 Favored 'General case' 0 C--O 1.226 -0.159 0 CA-C-N 115.888 -0.596 . . . . 10.0 109.957 178.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 50.2 mtt180 -67.87 -37.28 81.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.076 -0.511 . . . . 10.0 111.227 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 219' ' ' GLU . . . . . 0.566 ' HG3' ' O ' ' A' ' 215' ' ' SER . 41.7 mt-10 -67.3 -25.83 66.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.126 0.489 . . . . 10.0 109.922 179.137 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 220' ' ' GLN . . . . . 0.431 ' O ' HG23 ' A' ' 224' ' ' VAL . 7.8 tp-100 -88.68 -32.4 18.01 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.71 -0.677 . . . . 10.0 109.362 178.579 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 221' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 217' ' ' LEU . 26.2 mt -57.8 -31.99 67.11 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.971 -0.559 . . . . 10.0 111.15 179.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -58.39 -67.44 2.19 Favored Glycine 0 C--N 1.332 0.318 0 N-CA-C 110.344 -1.103 . . . . 10.0 110.344 178.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -53.51 -36.26 79.43 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.662 2.242 . . . . 10.0 110.663 177.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 224' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 220' ' ' GLN . 24.9 t -58.99 -52.89 55.24 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.209 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.792 178.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 225' ' ' THR . . . . . 0.542 ' O ' ' HB2' ' A' ' 229' ' ' TRP . 2.4 p -65.1 -35.16 80.25 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.986 -0.285 . . . . 10.0 110.722 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -65.74 -55.64 16.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.841 0.353 . . . . 10.0 110.475 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -65.05 -41.1 95.47 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.099 -0.5 . . . . 10.0 111.862 -179.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -63.87 -47.15 81.83 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.597 -0.274 . . . . 10.0 110.636 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 229' ' ' TRP . . . . . 0.542 ' HB2' ' O ' ' A' ' 225' ' ' THR . 1.2 m-90 -68.37 -35.75 78.17 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.408 -0.36 . . . . 10.0 110.805 179.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -60.49 -48.44 81.75 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.483 -0.562 . . . . 10.0 109.483 178.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 231' ' ' ASN . . . . . 0.942 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 42.4 m-80 -68.62 -33.23 73.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.831 -0.622 . . . . 10.0 109.934 178.349 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 232' ' ' LEU . . . . . 0.49 ' HB2' ' HA ' ' A' ' 229' ' ' TRP . 9.8 mt -64.02 -36.71 84.88 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 115.928 -0.578 . . . . 10.0 109.446 178.404 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 233' ' ' GLU . . . . . 0.418 ' O ' ' HB2' ' A' ' 237' ' ' GLU . 14.9 mm-40 -65.89 -28.65 69.11 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-N 115.776 -0.647 . . . . 10.0 110.49 178.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 234' ' ' LYS . . . . . 0.942 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 57.3 mttt -74.86 -43.78 52.61 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.798 -0.816 . . . . 10.0 108.798 178.05 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -63.14 -45.48 91.73 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.838 -0.619 . . . . 10.0 109.986 178.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 6.5 p -66.72 -35.43 80.1 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.096 -0.502 . . . . 10.0 109.658 178.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 237' ' ' GLU . . . . . 0.418 ' HB2' ' O ' ' A' ' 233' ' ' GLU . 29.6 tt0 -61.02 -46.11 92.06 Favored 'General case' 0 C--O 1.231 0.081 0 N-CA-C 108.522 -0.918 . . . . 10.0 108.522 177.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -59.51 -46.53 93.79 Favored Glycine 0 N--CA 1.444 -0.827 0 N-CA-C 110.562 -1.015 . . . . 10.0 110.562 177.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 239' ' ' LEU . . . . . 0.419 ' HA ' HD23 ' A' ' 239' ' ' LEU . 17.5 mt -63.38 -33.21 75.03 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-O 120.515 0.198 . . . . 10.0 110.993 178.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 240' ' ' ARG . . . . . 0.403 ' HD2' ' HA ' ' A' ' 237' ' ' GLU . 57.5 mtt180 -67.32 -41.25 85.61 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.327 -0.62 . . . . 10.0 109.327 178.494 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -70.4 -41.63 72.73 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-N 115.711 -0.677 . . . . 10.0 109.648 178.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -67.89 -24.85 65.27 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-N 115.773 -0.649 . . . . 10.0 109.997 179.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 243' ' ' MET . . . . . 0.405 ' HG3' HD12 ' A' ' 247' ' ' LEU . 59.7 ttm -63.42 -30.84 71.9 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.54 -0.541 . . . . 10.0 109.54 178.567 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 3.6 m -76.91 5.64 7.56 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.553 -0.748 . . . . 10.0 110.742 179.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 245' ' ' LYS . . . . . 0.487 ' O ' ' HB2' ' A' ' 249' ' ' GLU . 36.0 mttm -130.54 -50.16 1.07 Allowed 'General case' 0 C--O 1.224 -0.246 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.104 179.022 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 246' ' ' ASP . . . . . 0.443 ' O ' ' HB ' ' A' ' 250' ' ' VAL . 0.3 OUTLIER -59.18 -59.34 5.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.665 179.605 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 247' ' ' LEU . . . . . 0.433 ' O ' HG12 ' A' ' 250' ' ' VAL . 20.5 mt -74.49 -35.63 63.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.462 -179.69 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -63.79 -55.48 22.76 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.621 -0.263 . . . . 10.0 111.457 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 249' ' ' GLU . . . . . 0.487 ' HB2' ' O ' ' A' ' 245' ' ' LYS . 0.7 OUTLIER -65.04 -37.65 88.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.723 -0.217 . . . . 10.0 111.012 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 250' ' ' VAL . . . . . 0.851 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 0.7 OUTLIER -63.51 -32.17 55.7 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.636 0 C-N-CA 120.531 -0.468 . . . . 10.0 111.08 179.798 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 251' ' ' LYS . . . . . 0.426 ' O ' HG12 ' A' ' 254' ' ' VAL . 95.4 mttt -85.86 -35.83 20.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.158 0.504 . . . . 10.0 111.078 179.463 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -70.58 -35.71 73.19 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.15 0.5 . . . . 10.0 110.246 179.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 31.3 mtpt -91.39 -20.89 21.32 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.016 -0.538 . . . . 10.0 111.802 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 254' ' ' VAL . . . . . 0.851 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 1.9 p -63.36 -26.2 40.25 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 C-N-CA 120.61 -0.436 . . . . 10.0 110.816 179.714 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 255' ' ' GLN . . . . . 0.5 ' HB2' ' CD ' ' A' ' 256' ' ' PRO . 46.1 mt-30 -63.87 -62.89 4.55 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.29 -0.413 . . . . 10.0 110.332 179.048 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 256' ' ' PRO . . . . . 0.5 ' CD ' ' HB2' ' A' ' 255' ' ' GLN . 18.4 Cg_endo -62.67 -30.25 78.5 Favored 'Trans proline' 0 C--N 1.359 1.117 0 C-N-CA 121.833 1.689 . . . . 10.0 111.322 178.062 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 5.5 m-30 -65.5 -56.57 11.67 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.102 0.477 . . . . 10.0 109.901 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 258' ' ' LEU . . . . . 0.516 ' HG ' HG22 ' A' ' 254' ' ' VAL . 40.1 mt -64.57 -38.58 91.51 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.746 -0.661 . . . . 10.0 111.019 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -61.42 -40.61 95.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.972 0.415 . . . . 10.0 110.407 179.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -67.13 -48.42 68.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.898 -0.592 . . . . 10.0 109.955 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -64.84 -45.98 83.85 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.952 -0.567 . . . . 10.0 111.17 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -59.26 -46.06 89.52 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.415 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 263' ' ' LYS . . . . . 0.599 ' O ' ' HG3' ' A' ' 267' ' ' GLU . 0.3 OUTLIER -61.66 -50.62 71.78 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.977 -0.556 . . . . 10.0 110.224 179.736 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 264' ' ' LYS . . . . . 0.842 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 67.0 mttt -62.21 -40.56 96.53 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.306 -0.406 . . . . 10.0 111.252 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 5.5 m95 -65.67 -35.75 81.67 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.906 -0.405 . . . . 10.0 109.906 178.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -65.06 -42.51 94.12 Favored 'General case' 0 CA--C 1.519 -0.223 0 N-CA-C 108.194 -1.039 . . . . 10.0 108.194 178.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 267' ' ' GLU . . . . . 0.599 ' HG3' ' O ' ' A' ' 263' ' ' LYS . 49.9 mt-10 -62.21 -43.29 99.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.618 -0.719 . . . . 10.0 109.263 178.059 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 268' ' ' GLU . . . . . 0.5 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 18.5 mt-10 -61.64 -42.19 98.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.529 -0.759 . . . . 10.0 110.065 179.333 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 90.2 mmm -65.67 -41.56 92.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.619 -0.719 . . . . 10.0 109.921 178.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -58.95 -48.52 81.22 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.34 0.591 . . . . 10.0 109.564 178.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 271' ' ' LEU . . . . . 0.428 ' O ' ' HB2' ' A' ' 275' ' ' LYS . 73.6 mt -61.86 -44.22 97.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.251 -0.886 . . . . 10.0 110.742 179.623 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -65.38 -38.22 89.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.178 -0.465 . . . . 10.0 111.019 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 43.8 mtt180 -69.85 -44.53 69.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.438 -0.346 . . . . 10.0 110.467 179.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -68.78 -15.87 63.63 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.686 179.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 275' ' ' LYS . . . . . 0.728 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 12.4 mptt -92.82 -46.64 7.44 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.014 -0.539 . . . . 10.0 110.313 179.193 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 3.0 p -54.08 -31.42 21.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 113.164 0.802 . . . . 10.0 113.164 -178.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -64.47 -64.06 3.14 Favored Pre-proline 0 CA--C 1.535 0.37 0 N-CA-C 111.732 0.271 . . . . 10.0 111.732 179.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -63.86 -36.55 49.86 Favored 'Trans proline' 0 C--N 1.355 0.884 0 C-N-CA 121.762 1.641 . . . . 10.0 111.98 178.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 279' ' ' LEU . . . . . 0.728 ' HG ' ' O ' ' A' ' 275' ' ' LYS . 22.1 mt -61.33 -40.66 95.04 Favored 'General case' 0 CA--C 1.521 -0.169 0 C-N-CA 121.187 -0.205 . . . . 10.0 110.672 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 30.2 mtt180 -68.34 -30.95 70.03 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.466 -0.333 . . . . 10.0 110.288 179.092 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -66.2 -45.94 79.03 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.06 -0.719 . . . . 10.0 109.06 178.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -62.87 -44.47 96.03 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.402 -0.817 . . . . 10.0 109.206 178.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 10.2 mt -62.68 -44.93 95.0 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.796 179.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -63.35 -51.69 64.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.535 -0.302 . . . . 10.0 111.172 -179.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -65.35 -40.4 93.56 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 121.012 -0.275 . . . . 10.0 111.158 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -63.16 -47.83 84.93 Favored Glycine 0 N--CA 1.446 -0.663 0 N-CA-C 110.483 -1.047 . . . . 10.0 110.483 178.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -64.46 -35.14 79.96 Favored 'General case' 0 C--O 1.22 -0.45 0 N-CA-C 110.056 -0.35 . . . . 10.0 110.056 179.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 57.6 mtt180 -57.43 -48.63 78.63 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 116.387 -0.37 . . . . 10.0 110.119 179.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -65.79 -46.59 78.14 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.249 179.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 69.4 mttt -60.39 -40.43 90.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.27 -0.423 . . . . 10.0 111.12 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 28.3 mt -68.37 -42.65 78.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.223 178.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -64.89 -40.56 95.28 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.783 -0.451 . . . . 10.0 109.783 178.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -62.02 -37.2 84.01 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.542 -0.91 . . . . 10.0 108.542 178.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 294' ' ' LEU . . . . . 0.411 ' O ' ' HG ' ' A' ' 298' ' ' LEU . 3.5 mt -69.11 -49.41 57.3 Favored 'General case' 0 C--O 1.221 -0.418 0 CA-C-N 115.088 -0.96 . . . . 10.0 109.724 178.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -59.19 -37.45 77.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.839 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -67.32 -9.34 40.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.003 -0.544 . . . . 10.0 111.166 179.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . 0.447 ' HD3' ' HA ' ' A' ' 297' ' ' LYS . 29.4 mmtp -113.47 -39.93 3.97 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.426 178.669 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 298' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 294' ' ' LEU . 96.5 mt -58.25 -30.26 66.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.225 -0.443 . . . . 10.0 111.224 179.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 299' ' ' SER . . . . . 0.49 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 2.7 m -75.42 -63.87 0.64 Allowed Pre-proline 0 CA--C 1.537 0.453 0 CA-C-N 116.197 -0.456 . . . . 10.0 111.906 179.338 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 300' ' ' PRO . . . . . 0.49 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 28.6 Cg_endo -63.3 -46.05 10.69 Favored 'Trans proline' 0 C--N 1.36 1.133 0 C-N-CA 121.791 1.66 . . . . 10.0 112.581 -179.705 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 301' ' ' LEU . . . . . 0.714 HD22 ' HG2' ' D' ' 473' ' ' LYS . 73.1 mt -69.04 -27.66 65.86 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 109.965 -0.383 . . . . 10.0 109.965 179.583 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -69.32 -49.12 41.04 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 109.573 -1.411 . . . . 10.0 109.573 178.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -60.59 -44.3 96.39 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 109.116 -0.698 . . . . 10.0 109.116 178.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -60.6 -41.93 95.76 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.438 -0.801 . . . . 10.0 109.868 178.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 10.6 tpt -63.16 -44.27 95.96 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 116.172 -0.467 . . . . 10.0 109.952 179.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 58.0 mtt180 -63.99 -45.21 90.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.28 179.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 307' ' ' ASP . . . . . 0.894 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 19.6 t70 -64.37 -39.53 94.05 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.993 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 308' ' ' ARG . . . . . 0.491 ' HG3' HD21 ' D' ' 469' ' ' LEU . 24.6 mmt180 -72.32 -34.81 68.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 10.0 109.802 178.562 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 309' ' ' ALA . . . . . 0.517 ' HA ' ' HB2' ' A' ' 312' ' ' HIS . . . -64.28 -32.49 74.1 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 109.251 -0.648 . . . . 10.0 109.251 178.548 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 310' ' ' ARG . . . . . 0.894 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 79.3 mtt180 -58.88 -52.53 65.33 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 109.096 -0.705 . . . . 10.0 109.096 178.472 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -67.81 -36.93 81.29 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.125 179.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 312' ' ' HIS . . . . . 0.517 ' HB2' ' HA ' ' A' ' 309' ' ' ALA . 0.1 OUTLIER -53.53 -53.44 51.5 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.761 -0.654 . . . . 10.0 110.074 178.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 32.7 t -78.51 -32.78 16.59 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 CA-C-N 115.471 -0.786 . . . . 10.0 111.597 -179.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -57.62 -48.07 80.44 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-O 120.752 0.311 . . . . 10.0 111.207 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -63.62 -41.12 98.31 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.203 179.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 21.1 mt -66.12 -48.96 69.13 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.406 179.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 19.9 ttm105 -59.3 -47.92 83.59 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.827 -179.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 18.2 m -67.13 -20.45 65.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.989 -0.55 . . . . 10.0 111.069 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -89.81 -33.21 16.6 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.961 0.41 . . . . 10.0 110.204 178.479 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 73.9 mt -69.82 -33.72 72.71 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.982 -0.554 . . . . 10.0 111.462 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -53.63 -58.52 12.68 Favored Pre-proline 0 CA--C 1.538 0.507 0 N-CA-C 112.578 0.584 . . . . 10.0 112.578 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -72.28 -33.25 9.37 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 121.526 1.484 . . . . 10.0 111.662 179.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 8.2 m-30 -63.33 -42.56 98.97 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 116.484 -0.326 . . . . 10.0 110.967 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 324' ' ' SER . . . . . 0.458 ' O ' ' HG3' ' A' ' 328' ' ' ARG . 29.2 p -69.24 -31.45 70.01 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.999 -0.371 . . . . 10.0 109.999 179.339 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -66.85 -45.65 77.5 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.069 -0.715 . . . . 10.0 109.069 178.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . 0.425 ' O ' ' HG3' ' A' ' 330' ' ' ARG . 57.8 mt-10 -65.6 -34.82 79.11 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.611 -0.885 . . . . 10.0 108.611 177.517 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . 0.445 ' O ' ' HG ' ' A' ' 331' ' ' LEU . 0.6 OUTLIER -61.64 -38.07 86.35 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.714 -0.675 . . . . 10.0 109.45 178.498 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 328' ' ' ARG . . . . . 0.458 ' HG3' ' O ' ' A' ' 324' ' ' SER . 49.4 mtt180 -62.39 -41.93 99.03 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 109.351 -0.611 . . . . 10.0 109.351 178.271 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -66.32 -39.14 89.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.783 -0.644 . . . . 10.0 109.309 178.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 330' ' ' ARG . . . . . 0.909 HH21 ' HB3' ' D' ' 447' ' ' GLU . 18.1 mtt180 -63.76 -47.48 80.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.558 -0.746 . . . . 10.0 109.59 178.706 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 331' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 327' ' ' LEU . 93.0 mt -62.34 -42.44 99.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.751 -0.658 . . . . 10.0 110.154 179.266 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -61.2 -51.71 67.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.505 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -60.29 -45.93 91.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.645 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 43.5 mtt-85 -61.45 -47.46 85.62 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.674 179.241 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 55.1 mt -64.27 -41.46 96.91 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.101 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -63.27 -45.89 89.4 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.321 -0.252 . . . . 10.0 110.321 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -64.07 -39.11 93.36 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.404 -0.591 . . . . 10.0 109.404 178.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 1.9 mt -67.1 -31.28 71.64 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.808 179.275 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -79.73 -38.93 32.26 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.754 0.311 . . . . 10.0 110.316 178.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -67.51 -54.44 20.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.055 0.455 . . . . 10.0 109.82 179.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -68.93 -39.26 79.7 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.021 -0.536 . . . . 10.0 109.971 179.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -60.86 -41.19 99.14 Favored Glycine 0 N--CA 1.449 -0.49 0 CA-C-N 115.83 -0.623 . . . . 10.0 111.625 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -60.76 -39.42 96.7 Favored Glycine 0 N--CA 1.451 -0.34 0 N-CA-C 110.876 -0.889 . . . . 10.0 110.876 178.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -69.81 -41.27 75.24 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.734 -0.469 . . . . 10.0 109.734 178.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 39.8 mtm180 -64.44 -39.91 94.74 Favored 'General case' 0 C--O 1.227 -0.126 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.173 178.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 30.6 mt -64.12 -46.3 84.76 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 116.143 -0.48 . . . . 10.0 109.792 178.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.93 -41.02 90.85 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.352 -0.61 . . . . 10.0 109.352 179.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 348' ' ' GLU . . . . . 0.437 ' OE1' ' HB2' ' D' ' 429' ' ' ASN . 34.4 mt-10 -67.33 -45.09 77.47 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.466 -0.788 . . . . 10.0 109.892 178.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 349' ' ' TYR . . . . . 0.417 ' HD1' ' HA ' ' A' ' 349' ' ' TYR . 1.3 m-30 -59.86 -42.08 92.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.271 -0.422 . . . . 10.0 111.351 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 54.1 m-70 -63.56 -45.33 90.99 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.871 -0.418 . . . . 10.0 109.871 178.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -63.75 -48.83 75.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.21 179.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 352' ' ' LYS . . . . . 0.409 ' HE2' ' HB3' ' A' ' 348' ' ' GLU . 12.6 mtmm -59.94 -39.06 84.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.369 179.163 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . 0.475 ' O ' ' HG ' ' A' ' 357' ' ' LEU . . . -60.95 -43.71 98.3 Favored 'General case' 0 CA--C 1.519 -0.213 0 N-CA-C 109.579 -0.526 . . . . 10.0 109.579 178.679 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 39.2 m -64.99 -38.36 90.72 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.303 -0.629 . . . . 10.0 109.303 178.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -63.55 -43.97 95.53 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.1 -0.5 . . . . 10.0 109.746 178.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -64.72 -37.0 86.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.788 -0.642 . . . . 10.0 109.389 178.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 357' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 353' ' ' ALA . 84.4 mt -68.36 -33.56 74.49 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.437 179.141 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 49.7 m -61.21 -42.05 97.93 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.26 0.552 . . . . 10.0 109.972 178.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -79.85 -30.52 40.37 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.043 178.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 65.3 tp -65.07 -29.38 70.26 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 109.115 -0.698 . . . . 10.0 109.115 178.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 361' ' ' SER . . . . . 0.467 ' O ' ' HG3' ' A' ' 365' ' ' LYS . 34.8 m -62.6 -33.34 74.79 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.93 -0.577 . . . . 10.0 109.817 178.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -68.98 -22.9 64.07 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.006 178.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 363' ' ' LYS . . . . . 0.772 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 74.5 mttt -94.51 -23.79 17.55 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.752 -0.658 . . . . 10.0 109.985 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -80.63 -36.43 32.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.742 -0.663 . . . . 10.0 112.166 -179.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 365' ' ' LYS . . . . . 0.613 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 1.6 mttt -109.88 -69.67 0.03 OUTLIER Pre-proline 0 CA--C 1.536 0.429 0 N-CA-C 112.984 0.735 . . . . 10.0 112.984 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 366' ' ' PRO . . . . . 0.613 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 52.7 Cg_exo -55.12 -63.98 0.17 Allowed 'Trans proline' 0 C--N 1.356 0.924 0 C-N-CA 122.595 2.196 . . . . 10.0 113.482 -179.045 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 367' ' ' ALA . . . . . 0.772 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -56.12 -47.13 78.7 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.995 0.368 . . . . 10.0 111.995 -179.308 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 1.5 mt -62.86 -42.53 99.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.559 -0.291 . . . . 10.0 111.478 -179.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -63.97 -45.79 87.53 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.991 -0.374 . . . . 10.0 109.991 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -60.66 -42.46 97.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.064 -0.516 . . . . 10.0 109.684 179.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 45.6 mt -62.61 -46.09 89.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.706 -0.679 . . . . 10.0 110.218 178.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -61.12 -46.83 88.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 10.0 110.65 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -61.88 -30.4 70.84 Favored 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 115.92 -0.582 . . . . 10.0 111.11 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -84.56 -31.7 23.88 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.756 -0.735 . . . . 10.0 111.661 179.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 28.3 mt -71.14 -33.7 70.32 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 111.796 0.295 . . . . 10.0 111.796 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 48.8 mt -51.83 -58.32 11.58 Favored Pre-proline 0 CA--C 1.534 0.344 0 N-CA-C 112.55 0.574 . . . . 10.0 112.55 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_endo -64.26 -31.8 62.94 Favored 'Trans proline' 0 C--N 1.354 0.843 0 C-N-CA 121.888 1.725 . . . . 10.0 111.317 178.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 47.1 t -64.57 -43.89 96.79 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.097 0 N-CA-C 109.409 -0.589 . . . . 10.0 109.409 178.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 379' ' ' LEU . . . . . 0.459 ' O ' ' HG3' ' A' ' 383' ' ' LYS . 96.6 mt -68.61 -30.65 69.43 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.452 -0.573 . . . . 10.0 109.452 178.514 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 380' ' ' GLU . . . . . 0.408 ' O ' HG23 ' A' ' 384' ' ' VAL . 34.7 tt0 -64.77 -50.59 66.22 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.21 -0.663 . . . . 10.0 109.21 179.003 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 1.4 p -65.18 -30.0 70.87 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 109.354 -0.61 . . . . 10.0 109.354 178.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 382' ' ' PHE . . . . . 0.489 ' O ' ' HB2' ' A' ' 386' ' ' PHE . 0.2 OUTLIER -64.77 -44.13 91.04 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 115.687 -0.688 . . . . 10.0 109.324 178.262 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 383' ' ' LYS . . . . . 0.459 ' HG3' ' O ' ' A' ' 379' ' ' LEU . 83.0 mttt -62.76 -45.14 94.08 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.362 -0.607 . . . . 10.0 109.362 178.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 384' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 380' ' ' GLU . 87.4 t -57.9 -49.19 81.95 Favored 'Isoleucine or valine' 0 C--O 1.232 0.152 0 CA-C-N 115.509 -0.769 . . . . 10.0 111.045 179.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 5.2 p -70.75 -38.0 73.47 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 111.964 0.357 . . . . 10.0 111.964 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 386' ' ' PHE . . . . . 0.489 ' HB2' ' O ' ' A' ' 382' ' ' PHE . 0.3 OUTLIER -62.92 -49.6 74.16 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.828 0.347 . . . . 10.0 110.566 179.591 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 387' ' ' LEU . . . . . 0.473 ' O ' ' HG3' ' A' ' 391' ' ' GLU . 81.3 mt -60.29 -42.15 94.84 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.012 -0.54 . . . . 10.0 111.796 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 388' ' ' SER . . . . . 0.461 ' HB2' ' HE2' ' D' ' 594' ' ' LYS . 3.5 p -70.49 -36.48 73.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.719 0.295 . . . . 10.0 110.784 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -66.49 -38.07 86.47 Favored 'General case' 0 CA--C 1.522 -0.13 0 N-CA-C 109.905 -0.406 . . . . 10.0 109.905 178.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 390' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 386' ' ' PHE . 86.6 mt -60.86 -38.73 86.55 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.766 -0.652 . . . . 10.0 109.823 178.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 391' ' ' GLU . . . . . 0.473 ' HG3' ' O ' ' A' ' 387' ' ' LEU . 53.3 mt-10 -68.67 -37.88 79.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.839 -0.619 . . . . 10.0 109.506 178.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -60.13 -46.13 90.69 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.329 179.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -61.7 -48.33 81.25 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.153 178.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 27.4 m -56.88 -45.4 82.58 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.959 -0.564 . . . . 10.0 112.074 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -63.28 -30.47 71.61 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.762 0.653 . . . . 10.0 112.762 -178.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 396' ' ' LYS . . . . . 0.563 ' HZ3' ' HA ' ' D' ' 587' ' ' ALA . 1.6 mptt -106.28 11.4 31.13 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 113.096 0.776 . . . . 10.0 113.096 -178.736 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 19.8 mt -127.75 -20.03 3.99 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.654 0.264 . . . . 10.0 111.414 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 . . . . . 0 C--N 1.326 -0.443 0 CA-C-N 116.438 -0.346 . . . . 10.0 110.875 -179.406 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 2.5 mm? . . . . . 0 CA--C 1.52 -0.187 0 CA-C-O 121.295 0.569 . . . . 10.0 110.434 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -85.34 6.37 26.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.765 -0.652 . . . . 10.0 111.154 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 43.2 mt -61.36 -37.63 84.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.715 -0.675 . . . . 10.0 110.988 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 96.7 mt -64.06 -43.37 95.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.788 -0.642 . . . . 10.0 111.068 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.94 -37.78 82.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.162 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 404' ' ' ASN . . . . . 0.445 ' O ' HG23 ' D' ' 408' ' ' VAL . 27.1 t-20 -64.46 -48.01 76.89 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.123 -0.489 . . . . 10.0 110.559 179.387 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 11.8 m95 -63.02 -26.46 68.86 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.91 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -63.7 -48.48 76.94 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 109.434 -0.58 . . . . 10.0 109.434 178.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 7.1 m -60.82 -34.97 75.34 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.067 178.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 408' ' ' VAL . . . . . 0.445 HG23 ' O ' ' D' ' 404' ' ' ASN . 53.5 t -68.14 -39.88 82.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 N-CA-C 109.414 -0.587 . . . . 10.0 109.414 179.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 28.3 m -66.13 -40.84 90.97 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.729 -0.668 . . . . 10.0 109.727 179.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 14.6 m -61.07 -47.19 87.49 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.485 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.39 -33.46 75.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.339 -0.391 . . . . 10.0 110.963 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -65.24 -39.03 92.15 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 108.848 -0.797 . . . . 10.0 108.848 177.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 413' ' ' SER . . . . . 0.493 ' O ' ' HG3' ' D' ' 417' ' ' GLU . 33.1 m -66.95 -44.12 81.41 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.411 -0.813 . . . . 10.0 108.885 178.219 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 53.0 mmtt -62.19 -31.34 71.85 Favored 'General case' 0 C--O 1.226 -0.148 0 CA-C-N 115.97 -0.559 . . . . 10.0 109.994 178.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 14.8 tp -64.78 -45.32 86.8 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.118 -0.697 . . . . 10.0 109.118 178.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 62.0 mtt85 -68.76 -34.44 75.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.737 -0.665 . . . . 10.0 110.727 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 417' ' ' GLU . . . . . 0.493 ' HG3' ' O ' ' D' ' 413' ' ' SER . 35.1 mt-10 -65.57 -21.67 66.62 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 116.0 -0.546 . . . . 10.0 109.918 178.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -89.17 -51.18 5.72 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 108.708 -0.849 . . . . 10.0 108.708 177.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 67.1 mt -47.58 -50.53 23.76 Favored 'General case' 0 C--O 1.226 -0.143 0 CA-C-N 115.09 -0.959 . . . . 10.0 112.452 -179.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -47.5 -74.49 0.24 Allowed Glycine 0 CA--C 1.525 0.685 0 O-C-N 123.368 0.418 . . . . 10.0 113.669 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -60.38 -39.71 64.44 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.802 2.335 . . . . 10.0 112.767 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 37.6 t -60.75 -48.8 87.2 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.229 0 N-CA-C 112.126 0.417 . . . . 10.0 112.126 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 32.6 p -64.43 -33.75 76.59 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-O 120.775 0.321 . . . . 10.0 110.845 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -62.95 -51.17 67.91 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.623 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -73.67 -25.17 60.13 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.578 -0.449 . . . . 10.0 110.084 178.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 426' ' ' PHE . . . . . 0.519 ' O ' ' HG ' ' D' ' 430' ' ' LEU . 30.1 t80 -67.27 -34.89 78.38 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.345 -0.983 . . . . 10.0 108.345 177.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 427' ' ' TRP . . . . . 0.438 ' O ' ' HG3' ' D' ' 431' ' ' GLU . 7.5 m95 -61.83 -48.27 81.34 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.71 -0.848 . . . . 10.0 108.71 178.121 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -62.41 -35.85 80.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.547 -0.751 . . . . 10.0 110.129 178.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 429' ' ' ASN . . . . . 0.437 ' HB2' ' OE1' ' A' ' 348' ' ' GLU . 4.9 t30 -63.79 -45.52 89.31 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.733 -0.667 . . . . 10.0 109.22 178.016 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 430' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' D' ' 426' ' ' PHE . 88.7 mt -63.31 -41.09 98.9 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.664 -0.698 . . . . 10.0 109.61 178.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 431' ' ' GLU . . . . . 0.438 ' HG3' ' O ' ' D' ' 427' ' ' TRP . 11.7 mt-10 -63.77 -39.56 94.55 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.2 178.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -62.11 -40.61 96.48 Favored 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 109.181 -0.674 . . . . 10.0 109.181 178.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -66.73 -50.01 64.17 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.332 -0.849 . . . . 10.0 110.705 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 2.9 p -61.53 -47.99 83.04 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.967 -0.293 . . . . 10.0 111.32 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -64.73 -45.33 86.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.682 0.277 . . . . 10.0 111.223 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -63.46 -46.22 93.05 Favored Glycine 0 N--CA 1.448 -0.553 0 N-CA-C 111.385 -0.686 . . . . 10.0 111.385 179.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 437' ' ' LEU . . . . . 0.624 ' O ' ' HB2' ' D' ' 441' ' ' MET . 85.6 mt -66.3 -29.81 70.09 Favored 'General case' 0 C--O 1.218 -0.557 0 N-CA-C 110.618 -0.141 . . . . 10.0 110.618 179.204 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 31.5 mtt180 -64.75 -30.91 71.93 Favored 'General case' 0 CA--C 1.522 -0.129 0 O-C-N 123.012 0.195 . . . . 10.0 110.621 179.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -62.92 -46.74 86.39 Favored 'General case' 0 N--CA 1.457 -0.114 0 CA-C-N 116.143 -0.48 . . . . 10.0 110.246 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -82.72 -26.21 32.18 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.903 178.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 441' ' ' MET . . . . . 0.624 ' HB2' ' O ' ' D' ' 437' ' ' LEU . 0.0 OUTLIER -63.13 -48.03 80.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.421 -0.354 . . . . 10.0 111.019 -179.626 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 2.9 p -61.84 -44.22 97.27 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 109.54 -0.541 . . . . 10.0 109.54 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 443' ' ' LYS . . . . . 0.403 ' O ' ' HB2' ' D' ' 447' ' ' GLU . 28.7 mtpp -62.56 -42.01 99.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.584 -0.735 . . . . 10.0 110.02 178.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 444' ' ' ASP . . . . . 0.64 ' O ' ' HB ' ' D' ' 448' ' ' VAL . 4.1 t0 -63.55 -49.17 74.5 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.196 -0.456 . . . . 10.0 110.95 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 445' ' ' LEU . . . . . 0.501 ' O ' HG12 ' D' ' 448' ' ' VAL . 54.3 mt -65.53 -51.64 58.43 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.26 0.467 . . . . 10.0 112.26 -179.509 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -63.42 -44.51 94.39 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 111.945 0.35 . . . . 10.0 111.945 -179.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 447' ' ' GLU . . . . . 0.909 ' HB3' HH21 ' A' ' 330' ' ' ARG . 11.6 tt0 -71.57 -28.9 64.15 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.93 -0.308 . . . . 10.0 110.975 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 448' ' ' VAL . . . . . 0.64 ' HB ' ' O ' ' D' ' 444' ' ' ASP . 0.3 OUTLIER -69.23 -30.14 45.05 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 CA-C-O 121.074 0.464 . . . . 10.0 110.215 179.418 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -65.83 -35.47 80.78 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.236 -1.024 . . . . 10.0 108.236 177.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -92.02 19.23 6.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.074 -0.966 . . . . 10.0 110.006 179.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 451' ' ' LYS . . . . . 0.587 ' O ' ' HB2' ' D' ' 455' ' ' TYR . 51.8 mttm -126.79 -51.41 1.46 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.612 -0.722 . . . . 10.0 110.12 179.583 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 452' ' ' VAL . . . . . 0.503 HG23 HG22 ' D' ' 448' ' ' VAL . 62.9 t -69.37 -48.47 67.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 10.0 111.037 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -51.29 -58.88 9.08 Favored Pre-proline 0 CA--C 1.537 0.444 0 N-CA-C 111.914 0.338 . . . . 10.0 111.914 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -63.4 -26.8 70.84 Favored 'Trans proline' 0 C--N 1.357 1.007 0 C-N-CA 121.935 1.757 . . . . 10.0 112.027 179.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 455' ' ' TYR . . . . . 0.587 ' HB2' ' O ' ' D' ' 451' ' ' LYS . 0.0 OUTLIER -75.94 -31.37 59.06 Favored 'General case' 0 CA--C 1.519 -0.236 0 N-CA-C 109.773 -0.454 . . . . 10.0 109.773 179.093 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 456' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' D' ' 452' ' ' VAL . 84.6 mt -63.57 -38.19 90.2 Favored 'General case' 0 CA--C 1.514 -0.412 0 N-CA-C 108.27 -1.011 . . . . 10.0 108.27 177.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -69.3 -43.49 73.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.182 -0.917 . . . . 10.0 109.133 178.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -60.44 -41.68 94.55 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 115.641 -0.709 . . . . 10.0 109.885 178.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -71.33 -40.73 70.57 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.444 -0.798 . . . . 10.0 110.053 178.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -58.06 -40.05 80.0 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.423 179.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 461' ' ' LYS . . . . . 0.457 ' O ' ' HG3' ' D' ' 465' ' ' GLU . 52.2 mttt -59.64 -50.18 74.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.037 -0.528 . . . . 10.0 109.896 178.765 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 26.3 mtmm -67.24 -36.01 80.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.82 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 8.5 m0 -65.0 -40.55 95.12 Favored 'General case' 0 CA--C 1.515 -0.394 0 N-CA-C 109.349 -0.612 . . . . 10.0 109.349 178.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -68.98 -40.32 78.87 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.72 -0.673 . . . . 10.0 109.25 178.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 465' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' D' ' 461' ' ' LYS . 42.7 mt-10 -57.44 -52.01 67.1 Favored 'General case' 0 C--O 1.222 -0.382 0 N-CA-C 108.577 -0.898 . . . . 10.0 108.577 177.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 466' ' ' GLU . . . . . 0.418 ' HG3' ' CZ ' ' D' ' 470' ' ' TYR . 1.7 tp10 -60.95 -45.36 95.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.703 -0.68 . . . . 10.0 110.747 179.602 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 40.3 ttm -58.29 -49.7 76.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.429 -0.35 . . . . 10.0 110.526 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -66.25 -37.95 86.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.475 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 469' ' ' LEU . . . . . 0.554 HD22 ' HE3' ' D' ' 473' ' ' LYS . 54.7 mt -62.9 -43.89 97.58 Favored 'General case' 0 C--O 1.222 -0.343 0 O-C-N 123.574 0.546 . . . . 10.0 110.282 178.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 470' ' ' TYR . . . . . 0.418 ' CZ ' ' HG3' ' D' ' 466' ' ' GLU . 19.2 m-30 -61.33 -32.06 71.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.073 0.463 . . . . 10.0 110.441 179.222 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 471' ' ' ARG . . . . . 0.879 ' HA ' ' HG3' ' D' ' 475' ' ' GLU . 91.5 mtt180 -72.82 -23.78 60.82 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.434 179.212 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -104.67 -0.23 27.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.128 0.49 . . . . 10.0 111.397 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 473' ' ' LYS . . . . . 0.714 ' HG2' HD22 ' A' ' 301' ' ' LEU . 97.8 mttt -125.62 -73.53 0.63 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.906 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 58.1 t -53.69 -45.31 60.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 N-CA-C 112.367 0.506 . . . . 10.0 112.367 -178.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 475' ' ' GLU . . . . . 0.879 ' HG3' ' HA ' ' D' ' 471' ' ' ARG . 3.3 mt-10 -58.54 -61.09 8.33 Favored Pre-proline 0 CA--C 1.535 0.397 0 N-CA-C 112.575 0.583 . . . . 10.0 112.575 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -61.69 -33.96 84.83 Favored 'Trans proline' 0 C--N 1.353 0.806 0 C-N-CA 121.708 1.605 . . . . 10.0 111.154 178.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 20.2 mt -63.46 -36.85 85.11 Favored 'General case' 0 C--O 1.221 -0.403 0 N-CA-C 109.411 -0.588 . . . . 10.0 109.411 178.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 478' ' ' ARG . . . . . 0.449 ' O ' ' HB2' ' D' ' 482' ' ' GLN . 29.9 mtt180 -63.85 -28.72 70.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.438 -0.346 . . . . 10.0 110.377 178.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -74.06 -46.2 44.65 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 108.627 -0.879 . . . . 10.0 108.627 178.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.42 -40.96 96.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.85 -0.614 . . . . 10.0 109.426 178.302 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 53.9 mt -66.74 -29.61 69.62 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 115.693 -0.685 . . . . 10.0 110.115 178.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 482' ' ' GLN . . . . . 0.449 ' HB2' ' O ' ' D' ' 478' ' ' ARG . 15.9 tt0 -70.72 -43.27 69.27 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 108.675 -0.861 . . . . 10.0 108.675 178.468 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -64.91 -43.66 92.09 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.566 -0.743 . . . . 10.0 109.122 178.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -63.83 -38.84 96.73 Favored Glycine 0 N--CA 1.446 -0.657 0 N-CA-C 110.819 -0.912 . . . . 10.0 110.819 178.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -65.57 -44.89 85.33 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 109.438 -0.578 . . . . 10.0 109.438 178.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 80.1 mtt180 -57.75 -44.93 86.45 Favored 'General case' 0 CA--C 1.52 -0.205 0 N-CA-C 108.924 -0.769 . . . . 10.0 108.924 178.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 487' ' ' GLN . . . . . 0.423 ' O ' ' HG3' ' D' ' 491' ' ' GLU . 8.0 mm100 -62.98 -47.29 83.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.207 -0.906 . . . . 10.0 111.196 179.012 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 29.1 tttt -62.49 -40.0 95.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.006 0.431 . . . . 10.0 110.023 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 84.5 mt -64.23 -37.11 86.3 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 109.325 -0.62 . . . . 10.0 109.325 178.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -63.96 -45.66 88.16 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 108.55 -0.907 . . . . 10.0 108.55 178.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 491' ' ' GLU . . . . . 0.423 ' HG3' ' O ' ' D' ' 487' ' ' GLN . 51.3 mt-10 -58.98 -41.66 88.13 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 115.779 -0.646 . . . . 10.0 109.289 178.411 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 41.8 mt -67.59 -44.38 78.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.369 -0.832 . . . . 10.0 110.777 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -61.08 -33.84 73.97 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 121.232 0.539 . . . . 10.0 110.273 179.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -73.55 0.05 13.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.505 -0.771 . . . . 10.0 111.387 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 495' ' ' LYS . . . . . 0.574 ' O ' ' HB2' ' D' ' 499' ' ' LEU . 30.7 mttp -121.92 -38.64 2.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.874 -0.603 . . . . 10.0 109.392 178.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 496' ' ' LEU . . . . . 0.455 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 79.8 mt -60.82 -32.95 72.3 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.975 -0.557 . . . . 10.0 111.78 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 497' ' ' SER . . . . . 0.577 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 6.0 m -76.69 -65.37 0.41 Allowed Pre-proline 0 CA--C 1.54 0.579 0 N-CA-C 112.036 0.384 . . . . 10.0 112.036 179.598 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 498' ' ' PRO . . . . . 0.577 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 33.0 Cg_endo -65.41 -55.2 0.48 Allowed 'Trans proline' 0 C--N 1.354 0.828 0 C-N-CA 121.928 1.752 . . . . 10.0 113.068 -179.344 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 499' ' ' LEU . . . . . 0.574 ' HB2' ' O ' ' D' ' 495' ' ' LYS . 45.2 mt -66.11 -28.4 68.78 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 110.44 -0.208 . . . . 10.0 110.44 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 500' ' ' GLY . . . . . 0.455 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -66.46 -47.54 69.32 Favored Glycine 0 N--CA 1.447 -0.58 0 N-CA-C 109.682 -1.367 . . . . 10.0 109.682 178.084 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -63.29 -39.28 94.15 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 108.842 -0.799 . . . . 10.0 108.842 177.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 502' ' ' GLU . . . . . 0.489 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 34.9 mt-10 -59.79 -48.47 81.55 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 115.63 -0.713 . . . . 10.0 109.353 178.408 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 81.4 mmm -58.95 -38.06 78.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.028 0.442 . . . . 10.0 110.573 179.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 504' ' ' ARG . . . . . 0.417 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 61.8 mtt180 -67.51 -44.68 77.84 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 109.47 -0.567 . . . . 10.0 109.47 178.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -65.86 -40.28 91.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.763 179.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 506' ' ' ARG . . . . . 0.5 ' HD3' ' OE1' ' A' ' 268' ' ' GLU . 46.0 mtt180 -62.8 -45.43 92.65 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 108.39 -0.967 . . . . 10.0 108.39 178.23 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -60.27 -38.77 84.58 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.821 -0.627 . . . . 10.0 109.506 178.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 508' ' ' ARG . . . . . 0.417 ' HG3' ' O ' ' D' ' 504' ' ' ARG . 49.3 mtt180 -61.64 -48.69 79.72 Favored 'General case' 0 C--O 1.218 -0.577 0 N-CA-C 109.21 -0.663 . . . . 10.0 109.21 178.1 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 509' ' ' ALA . . . . . 0.842 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -62.48 -37.44 85.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.3 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 510' ' ' HIS . . . . . 0.572 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 20.2 m-70 -70.41 -52.12 24.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.294 -0.412 . . . . 10.0 110.434 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 511' ' ' VAL . . . . . 0.436 ' O ' ' HG3' ' D' ' 515' ' ' ARG . 77.4 t -63.21 -42.54 96.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.439 -0.346 . . . . 10.0 111.14 179.753 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -61.05 -37.26 82.01 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.638 -0.504 . . . . 10.0 109.638 179.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 513' ' ' ALA . . . . . 0.433 ' HB2' ' NZ ' ' A' ' 264' ' ' LYS . . . -66.43 -45.64 79.18 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.631 -0.877 . . . . 10.0 108.631 178.07 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 514' ' ' LEU . . . . . 0.585 ' HA ' ' HB2' ' D' ' 517' ' ' HIS . 89.9 mt -57.99 -27.4 63.45 Favored 'General case' 0 C--O 1.23 0.06 0 CA-C-N 115.915 -0.584 . . . . 10.0 111.184 179.47 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 515' ' ' ARG . . . . . 0.436 ' HG3' ' O ' ' D' ' 511' ' ' VAL . 75.0 mtt180 -63.79 -23.63 67.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.028 0.442 . . . . 10.0 110.067 178.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 1.5 m -118.92 -1.17 11.05 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.171 0.51 . . . . 10.0 110.332 179.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 517' ' ' HIS . . . . . 0.585 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 36.7 m170 -106.58 -45.2 4.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.09 -0.504 . . . . 10.0 111.624 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 54.0 mt -94.89 -46.03 7.03 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.777 0.288 . . . . 10.0 111.777 -179.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 519' ' ' ALA . . . . . 0.719 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -54.31 -58.77 12.31 Favored Pre-proline 0 CA--C 1.537 0.462 0 N-CA-C 112.22 0.452 . . . . 10.0 112.22 -179.681 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 520' ' ' PRO . . . . . 0.719 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 32.4 Cg_exo -63.31 -28.11 72.01 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 121.951 1.767 . . . . 10.0 110.633 178.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 521' ' ' TYR . . . . . 0.435 ' HB2' ' O ' ' D' ' 517' ' ' HIS . 40.0 t80 -64.33 -48.18 76.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.975 -0.557 . . . . 10.0 109.958 179.169 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 522' ' ' SER . . . . . 0.491 ' O ' ' HG3' ' D' ' 526' ' ' ARG . 0.3 OUTLIER -64.9 -31.22 72.36 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.598 -0.519 . . . . 10.0 109.598 178.849 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -68.13 -46.18 71.57 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.933 -0.576 . . . . 10.0 109.475 178.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -65.91 -32.74 74.41 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.738 -0.664 . . . . 10.0 109.258 178.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 525' ' ' LEU . . . . . 0.497 ' O ' ' HG ' ' D' ' 529' ' ' LEU . 33.8 mt -66.36 -35.97 81.68 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.313 178.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 526' ' ' ARG . . . . . 0.491 ' HG3' ' O ' ' D' ' 522' ' ' SER . 77.6 mtt180 -58.74 -35.09 72.15 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.396 -0.366 . . . . 10.0 110.496 179.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -66.5 -37.95 86.18 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.103 -0.498 . . . . 10.0 110.184 179.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 528' ' ' ARG . . . . . 0.424 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 28.8 mtt180 -74.95 -42.58 57.4 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.311 -0.626 . . . . 10.0 109.311 179.251 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 529' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' D' ' 525' ' ' LEU . 70.8 mt -63.04 -30.99 72.03 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 115.699 -0.682 . . . . 10.0 110.937 179.388 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 530' ' ' ALA . . . . . 0.489 ' O ' ' HB2' ' D' ' 534' ' ' GLU . . . -63.86 -36.68 84.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.145 0.498 . . . . 10.0 109.767 178.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -78.16 -36.87 47.05 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.418 -0.81 . . . . 10.0 109.022 179.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -62.82 -51.16 68.13 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.595 -0.73 . . . . 10.0 109.841 178.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 61.6 mt -66.11 -34.18 77.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.795 -0.639 . . . . 10.0 110.265 179.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 534' ' ' GLU . . . . . 0.489 ' HB2' ' O ' ' D' ' 530' ' ' ALA . 31.6 tt0 -61.78 -46.94 87.38 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.504 -0.554 . . . . 10.0 109.504 178.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -66.12 -39.82 90.19 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.287 -0.87 . . . . 10.0 109.362 179.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 31.9 mt -63.97 -34.45 78.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.221 -0.445 . . . . 10.0 111.352 179.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 38.6 mtmt -79.45 -37.92 35.84 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.218 -0.446 . . . . 10.0 111.136 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.06 -53.53 9.79 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.607 0.241 . . . . 10.0 111.055 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -68.49 -32.33 72.23 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.122 -0.695 . . . . 10.0 109.122 179.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 540' ' ' GLY . . . . . 0.423 ' O ' ' HG ' ' D' ' 544' ' ' LEU . . . -69.54 -44.94 61.79 Favored Glycine 0 N--CA 1.443 -0.833 0 N-CA-C 110.427 -1.069 . . . . 10.0 110.427 178.44 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -61.75 -42.34 99.74 Favored Glycine 0 N--CA 1.448 -0.505 0 N-CA-C 110.554 -1.019 . . . . 10.0 110.554 178.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -62.19 -45.89 91.38 Favored 'General case' 0 N--CA 1.453 -0.275 0 N-CA-C 109.122 -0.696 . . . . 10.0 109.122 178.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 543' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' D' ' 543' ' ' ARG . 41.8 mtt180 -64.93 -34.6 78.81 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.287 179.077 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 544' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' D' ' 540' ' ' GLY . 31.3 mt -63.42 -38.58 91.71 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.266 -0.642 . . . . 10.0 109.266 178.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -69.58 -41.47 75.76 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 108.863 -0.792 . . . . 10.0 108.863 178.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -63.06 -49.1 75.87 Favored 'General case' 0 N--CA 1.461 0.076 0 CA-C-N 115.676 -0.693 . . . . 10.0 109.872 178.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -62.67 -38.47 90.45 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.208 179.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 20.2 t-80 -66.61 -45.34 79.45 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.698 0.285 . . . . 10.0 110.264 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 549' ' ' ALA . . . . . 0.614 ' O ' ' HG3' ' D' ' 553' ' ' GLU . . . -65.73 -43.86 87.73 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.33 -0.618 . . . . 10.0 109.33 178.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 550' ' ' LYS . . . . . 0.451 ' HB2' ' HE2' ' D' ' 550' ' ' LYS . 2.5 ttmm -65.28 -24.35 67.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.765 -0.652 . . . . 10.0 111.351 179.683 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -67.07 -43.56 82.31 Favored 'General case' 0 CA--C 1.516 -0.355 0 N-CA-C 108.815 -0.809 . . . . 10.0 108.815 178.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.48 -33.66 67.14 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.737 -0.665 . . . . 10.0 109.467 178.642 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 553' ' ' GLU . . . . . 0.614 ' HG3' ' O ' ' D' ' 549' ' ' ALA . 38.6 mt-10 -61.03 -51.25 70.01 Favored 'General case' 0 CA--C 1.52 -0.192 0 N-CA-C 108.741 -0.837 . . . . 10.0 108.741 178.135 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -68.32 -27.86 66.66 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.126 -0.943 . . . . 10.0 110.206 179.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 54.8 tp -63.77 -42.91 97.7 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.432 -0.581 . . . . 10.0 109.432 178.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 7.8 m -66.21 -32.36 73.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.356 -0.838 . . . . 10.0 109.708 178.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 37.7 m -72.78 -39.62 66.6 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.764 -0.653 . . . . 10.0 109.274 178.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 50.9 mt -64.35 -48.57 75.02 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 115.626 -0.716 . . . . 10.0 110.52 179.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 5.3 p -64.52 -36.51 84.43 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.649 0.261 . . . . 10.0 110.538 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -60.89 -31.36 70.85 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.548 179.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.34 26.73 10.37 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.563 179.472 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -120.69 -51.8 2.14 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.829 -0.623 . . . . 10.0 109.655 178.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 563' ' ' LYS . . . . . 0.474 ' HB2' ' HD3' ' D' ' 564' ' ' PRO . 94.9 mttt -56.6 -60.69 8.51 Favored Pre-proline 0 CA--C 1.534 0.348 0 CA-C-N 115.76 -0.654 . . . . 10.0 112.226 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 564' ' ' PRO . . . . . 0.474 ' HD3' ' HB2' ' D' ' 563' ' ' LYS . 57.8 Cg_endo -70.83 -26.45 22.54 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 121.483 1.456 . . . . 10.0 111.422 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -64.64 -53.22 51.0 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 116.361 -0.382 . . . . 10.0 110.198 179.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 95.6 mt -61.68 -39.33 91.05 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.876 0.37 . . . . 10.0 110.173 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -61.48 -56.29 21.75 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.947 179.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -63.88 -43.88 94.72 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.807 -0.633 . . . . 10.0 111.812 -179.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 19.5 mt -60.38 -44.17 95.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.403 -0.362 . . . . 10.0 111.102 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 570' ' ' ARG . . . . . 0.431 HH11 ' HD2' ' D' ' 570' ' ' ARG . 56.5 mtt85 -68.31 -42.38 79.49 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.949 -0.301 . . . . 10.0 110.743 179.124 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -64.86 -19.13 65.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.35 -0.387 . . . . 10.0 110.708 179.034 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -95.54 -31.08 7.67 Favored Glycine 0 N--CA 1.447 -0.605 0 N-CA-C 110.721 -0.952 . . . . 10.0 110.721 178.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 573' ' ' LEU . . . . . 0.488 ' HA ' HG12 ' D' ' 576' ' ' VAL . 13.8 mt -69.64 -37.12 76.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.362 -0.419 . . . . 10.0 111.06 179.274 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 574' ' ' LEU . . . . . 0.612 ' O ' ' HG2' ' D' ' 578' ' ' GLU . 43.6 mt -55.16 -62.72 3.86 Favored Pre-proline 0 CA--C 1.535 0.382 0 N-CA-C 111.979 0.363 . . . . 10.0 111.979 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 575' ' ' PRO . . . . . 0.442 ' HD3' ' HB2' ' D' ' 574' ' ' LEU . 30.2 Cg_endo -64.12 -34.62 56.9 Favored 'Trans proline' 0 C--N 1.354 0.839 0 C-N-CA 122.003 1.802 . . . . 10.0 112.244 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 576' ' ' VAL . . . . . 0.488 HG12 ' HA ' ' D' ' 573' ' ' LEU . 0.5 OUTLIER -66.02 -38.0 81.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 120.371 -0.532 . . . . 10.0 110.286 179.626 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 577' ' ' LEU . . . . . 0.409 ' O ' ' HG3' ' D' ' 581' ' ' LYS . 34.2 mt -69.92 -36.52 75.4 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 109.834 -0.432 . . . . 10.0 109.834 178.753 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 578' ' ' GLU . . . . . 0.612 ' HG2' ' O ' ' D' ' 574' ' ' LEU . 21.3 mm-40 -61.7 -42.83 99.47 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 108.715 -0.846 . . . . 10.0 108.715 177.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 10.8 m -67.6 -38.22 83.67 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.361 -0.836 . . . . 10.0 110.155 179.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 6.6 m-30 -65.14 -40.06 93.89 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-N 115.931 -0.577 . . . . 10.0 109.951 178.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 581' ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' D' ' 577' ' ' LEU . 92.8 mttt -57.79 -47.49 82.4 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.334 -0.617 . . . . 10.0 109.334 178.562 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 88.8 t -60.1 -41.82 87.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.846 -0.616 . . . . 10.0 111.385 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -71.12 -40.98 71.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.794 0.33 . . . . 10.0 111.288 -179.472 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -70.56 -39.95 73.65 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.552 -0.295 . . . . 10.0 111.214 179.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 585' ' ' LEU . . . . . 0.403 ' O ' ' HB2' ' D' ' 589' ' ' GLU . 23.9 mt -59.6 -49.9 75.95 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.485 -0.325 . . . . 10.0 110.164 179.112 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 6.2 p -66.47 -37.42 85.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.516 179.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 587' ' ' ALA . . . . . 0.563 ' HA ' ' HZ3' ' A' ' 396' ' ' LYS . . . -59.64 -57.97 10.6 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.15 -0.477 . . . . 10.0 110.679 179.206 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 63.2 mt -61.19 -43.09 99.44 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.256 -0.429 . . . . 10.0 111.175 -179.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 589' ' ' GLU . . . . . 0.475 ' O ' ' HG3' ' D' ' 593' ' ' LYS . 20.1 tt0 -59.32 -54.81 42.51 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.924 -0.58 . . . . 10.0 111.307 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -67.38 -30.13 69.83 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.274 0.472 . . . . 10.0 112.274 -179.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 1.4 m-30 -63.8 -45.74 88.31 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.05 0.453 . . . . 10.0 110.078 178.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 4.9 m -64.56 -20.06 66.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.653 -0.703 . . . . 10.0 111.341 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 593' ' ' LYS . . . . . 0.475 ' HG3' ' O ' ' D' ' 589' ' ' GLU . 83.3 mttt -82.25 -41.89 19.61 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.082 0.468 . . . . 10.0 110.26 179.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 594' ' ' LYS . . . . . 0.461 ' HE2' ' HB2' ' A' ' 388' ' ' SER . 11.9 mptt -74.57 -32.37 62.38 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.706 -0.679 . . . . 10.0 111.393 -179.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 87.3 mt -104.77 26.19 9.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.004 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 . . . . . 0 C--N 1.326 -0.415 0 CA-C-N 116.196 -0.457 . . . . 10.0 111.497 -179.592 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 15.2 m . . . . . 0 C--O 1.235 0.314 0 CA-C-O 121.054 0.454 . . . . 10.0 110.793 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.59 134.16 35.18 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.348 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -103.17 131.18 50.4 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.0 0.428 . . . . 10.0 110.824 179.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -119.52 116.29 25.78 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.117 -0.697 . . . . 10.0 109.117 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.684 ' HA ' ' HB3' ' B' ' 54' ' ' ASP . 47.5 mttm -81.95 115.18 21.0 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.701 0.286 . . . . 10.0 110.955 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 8.4 mt -114.91 126.16 54.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.198 -0.455 . . . . 10.0 111.235 -178.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 40.1 t -111.83 125.2 69.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.225 -0.443 . . . . 10.0 109.828 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 8.0 t -90.79 112.15 24.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.316 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.4 HG23 ' HA ' ' B' ' 80' ' ' CYS . 17.5 m -108.57 144.92 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.086 -0.506 . . . . 10.0 111.073 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 158.77 164.38 14.24 Favored Glycine 0 N--CA 1.443 -0.878 0 N-CA-C 110.472 -1.051 . . . . 10.0 110.472 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.78 161.88 28.11 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.06 0.457 . . . . 10.0 110.968 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -73.36 118.38 16.24 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.289 0.566 . . . . 10.0 111.318 -179.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 122.65 -10.45 9.08 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.706 -0.759 . . . . 10.0 112.793 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 25.9 m -76.03 -15.35 15.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.861 0.362 . . . . 10.0 111.724 -179.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 89.42 25.45 28.22 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.929 -0.653 . . . . 10.0 112.664 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . 0.481 ' H ' ' HG2' ' B' ' 16' ' ' LYS . 3.8 ptmm? -60.33 -34.86 74.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.584 0.23 . . . . 10.0 111.597 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 48.7 m -72.82 -45.91 55.93 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.697 -0.483 . . . . 10.0 109.697 179.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.96 -44.78 78.78 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.724 -0.671 . . . . 10.0 111.531 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.466 HD11 ' HB2' ' B' ' 116' ' ' ASN . 53.4 mt -59.88 -40.62 89.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.261 -0.427 . . . . 10.0 111.021 179.57 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 16.4 m -70.03 -45.24 67.6 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.108 -0.497 . . . . 10.0 110.659 179.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 95.5 mt -61.97 -34.75 64.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.761 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' GLN . . . . . 0.533 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 6.1 mm-40 -64.97 -19.49 66.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.115 -0.493 . . . . 10.0 111.563 179.493 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.403 HD22 ' CD2' ' B' ' 156' ' ' PHE . 11.1 tp -97.34 -36.46 10.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.071 0.462 . . . . 10.0 110.975 179.511 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 43.0 mm -79.31 -50.02 18.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.017 -0.538 . . . . 10.0 112.192 -178.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . 0.496 ' HB2' ' HD2' ' B' ' 27' ' ' HIS . 78.8 mt-30 -106.68 -5.24 18.71 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.169 0.433 . . . . 10.0 112.169 -178.048 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . 0.533 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 89.4 m-20 56.12 44.15 25.71 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.992 -0.549 . . . . 10.0 112.473 179.325 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . 0.496 ' HD2' ' HB2' ' B' ' 25' ' ' GLN . 1.6 p80 -149.29 157.87 43.7 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.467 -0.333 . . . . 10.0 110.273 179.498 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -101.95 141.42 34.83 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.182 -0.463 . . . . 10.0 111.194 -179.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 16.2 m -100.71 129.02 52.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.781 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -90.78 -31.3 16.57 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.404 0.621 . . . . 10.0 110.128 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -86.94 145.85 26.38 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.323 -0.853 . . . . 10.0 110.783 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -102.16 115.8 31.32 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.945 -0.571 . . . . 10.0 110.673 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -109.54 127.63 26.84 Favored Pre-proline 0 C--N 1.32 -0.715 0 CA-C-N 115.664 -0.698 . . . . 10.0 110.054 179.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -57.6 112.39 1.12 Allowed 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.706 2.271 . . . . 10.0 111.317 179.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . 0.435 HG21 ' OD2' ' B' ' 57' ' ' ASP . 12.1 m -95.81 119.39 34.22 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.236 -0.438 . . . . 10.0 111.707 -179.026 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.634 ' HA ' ' HB2' ' B' ' 59' ' ' ALA . 50.4 mm -100.86 -47.89 11.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 108.567 -0.901 . . . . 10.0 108.567 178.042 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -159.27 101.37 1.56 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.673 -0.694 . . . . 10.0 110.376 179.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -107.89 117.95 35.47 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.25 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 4.4 p -106.84 118.76 37.54 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.897 0.38 . . . . 10.0 110.838 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -129.88 136.38 49.46 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.286 -0.415 . . . . 10.0 111.245 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.47 ' HD2' ' OD1' ' B' ' 54' ' ' ASP . 0.3 OUTLIER -120.1 142.79 48.57 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.224 179.565 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 37.7 tttp -154.58 151.26 28.65 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.215 -0.661 . . . . 10.0 109.215 -179.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -129.68 121.82 27.73 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.842 0.353 . . . . 10.0 110.417 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . 0.508 HG23 HG13 ' B' ' 46' ' ' ILE . 6.3 m -135.72 173.28 14.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.481 -179.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 3.1 t -98.58 89.39 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.637 -0.505 . . . . 10.0 109.637 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . 0.508 HG13 HG23 ' B' ' 44' ' ' VAL . 78.0 mt -89.46 114.06 26.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.908 -179.457 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 59.91 28.2 17.67 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.693 -0.685 . . . . 10.0 111.684 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.8 -6.58 79.64 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.374 -0.917 . . . . 10.0 112.696 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -106.42 113.61 27.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.655 0.264 . . . . 10.0 110.867 -179.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.47 110.92 8.14 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.859 -0.793 . . . . 10.0 108.859 178.312 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -130.19 158.71 38.98 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 112.209 0.448 . . . . 10.0 112.209 -178.122 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 36.4 tp -97.5 126.63 42.9 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.535 -0.757 . . . . 10.0 109.976 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 6.5 mp -92.32 109.75 21.14 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.745 -0.661 . . . . 10.0 110.616 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . 0.684 ' HB3' ' HA ' ' B' ' 5' ' ' LYS . 26.2 t70 -93.55 80.52 4.32 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.279 -1.008 . . . . 10.0 108.279 178.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 8.7 mt -86.97 135.59 24.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 112.776 0.658 . . . . 10.0 112.776 -177.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 38.7 tp -131.92 105.67 7.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.589 -0.732 . . . . 10.0 110.245 179.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . 0.435 ' OD2' HG21 ' B' ' 35' ' ' THR . 25.0 t0 -93.12 103.69 15.96 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.288 -0.634 . . . . 10.0 109.288 179.66 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.33 154.86 18.42 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 112.581 0.586 . . . . 10.0 112.581 -178.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' ALA . . . . . 0.634 ' HB2' ' HA ' ' B' ' 36' ' ' ILE . . . -54.52 139.77 36.78 Favored 'General case' 0 C--N 1.334 -0.101 0 N-CA-C 112.781 0.66 . . . . 10.0 112.781 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -119.73 30.82 5.59 Favored Glycine 0 N--CA 1.45 -0.411 0 N-CA-C 110.523 -1.031 . . . . 10.0 110.523 179.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -95.81 26.84 3.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.252 -0.474 . . . . 10.0 110.636 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 57.66 -161.11 0.23 Allowed 'General case' 0 C--O 1.238 0.481 0 CA-C-N 115.463 -0.79 . . . . 10.0 111.642 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 75.4 -44.48 0.53 Allowed 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.861 -0.609 . . . . 10.0 112.533 178.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' TYR . . . . . 0.58 ' O ' ' HB2' ' B' ' 68' ' ' ARG . 63.3 m-85 -72.49 78.73 1.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.008 0.432 . . . . 10.0 111.034 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.94 -50.26 7.65 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.803 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.59 -28.73 33.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 10.0 111.121 -179.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . 0.4 ' HB3' ' HB3' ' B' ' 64' ' ' TYR . 22.5 ttt -73.87 -33.67 64.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.469 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' ARG . . . . . 0.742 ' HA ' ' CE2' ' B' ' 71' ' ' TYR . 7.5 ttp180 -62.31 -32.96 73.78 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.487 -0.324 . . . . 10.0 111.185 -179.383 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -60.77 -26.72 67.46 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.695 -0.684 . . . . 10.0 111.921 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -66.4 -60.97 2.26 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 112.347 0.499 . . . . 10.0 112.347 -178.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' TYR . . . . . 0.742 ' CE2' ' HA ' ' B' ' 68' ' ' ARG . 0.1 OUTLIER -66.72 -27.58 67.74 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.7 0.63 . . . . 10.0 112.7 -178.92 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . 0.433 ' HA ' ' CZ ' ' B' ' 78' ' ' PHE . 54.6 mtt -72.76 -12.85 61.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.459 0.647 . . . . 10.0 110.76 179.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -91.23 -45.46 8.62 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.67 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 2.5 m -80.72 -32.04 35.91 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.688 0.625 . . . . 10.0 112.688 -178.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.74 150.77 51.87 Favored Glycine 0 C--O 1.226 -0.384 0 C-N-CA 120.427 -0.892 . . . . 10.0 112.216 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -107.44 -45.84 3.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 117.084 0.442 . . . . 10.0 111.022 -179.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' GLY . . . . . 0.53 ' HA3' HD11 ' B' ' 163' ' ' ILE . . . -109.98 137.86 14.5 Favored Glycine 0 N--CA 1.445 -0.73 0 N-CA-C 110.983 -0.847 . . . . 10.0 110.983 179.278 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . 0.643 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 94.1 m-85 -118.43 114.57 23.09 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.157 0.503 . . . . 10.0 111.8 -179.266 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.509 HD13 HD22 ' B' ' 159' ' ' LEU . 9.2 tp -91.93 108.99 20.32 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.503 -0.771 . . . . 10.0 109.569 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . 0.521 ' HB3' HD12 ' B' ' 93' ' ' ILE . 6.8 m -87.06 101.05 13.09 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.625 -179.543 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 43.8 t -103.35 128.42 56.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.941 0.4 . . . . 10.0 111.246 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 21.6 p90 -133.94 172.12 13.25 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.226 -0.443 . . . . 10.0 109.96 179.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -116.57 131.94 56.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.48 -0.327 . . . . 10.0 111.408 -179.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . 0.578 HD12 ' HB3' ' B' ' 123' ' ' ARG . 15.6 pt -66.05 -23.04 31.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.962 -0.563 . . . . 10.0 111.592 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 19.6 p-10 -96.83 17.58 16.38 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.52 179.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -143.85 89.7 2.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.791 -0.641 . . . . 10.0 110.171 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -57.39 -30.96 65.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.816 -0.629 . . . . 10.0 111.565 -179.562 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -58.38 -47.38 84.04 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.708 -0.678 . . . . 10.0 111.304 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . 0.51 ' O ' HG12 ' B' ' 93' ' ' ILE . 96.0 p -62.74 -30.42 71.42 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.532 -0.304 . . . . 10.0 111.712 -179.49 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -64.07 -39.98 95.25 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.573 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -77.55 -31.25 53.14 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.16 179.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -60.7 -33.75 73.34 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.853 -0.612 . . . . 10.0 111.105 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 93' ' ' ILE . . . . . 0.521 HD12 ' HB3' ' B' ' 80' ' ' CYS . 51.2 mm -57.04 -37.55 55.64 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.912 179.697 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 61.3 t60 -65.57 -47.51 75.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.925 -0.58 . . . . 10.0 110.133 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 60.9 m-70 -61.79 -37.92 86.15 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.014 -0.539 . . . . 10.0 110.815 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -63.95 -46.52 84.33 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 115.967 -0.561 . . . . 10.0 110.268 179.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 97' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' B' ' 97' ' ' ARG . 37.8 ttt-85 -58.83 -41.78 87.71 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.941 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -60.14 -42.33 94.62 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.046 -0.525 . . . . 10.0 111.541 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 99' ' ' GLN . . . . . 0.53 ' O ' HG23 ' B' ' 103' ' ' VAL . 48.9 tt0 -69.91 -45.21 68.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.399 -0.364 . . . . 10.0 111.09 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 84.4 mt -54.79 -44.37 71.14 Favored 'Isoleucine or valine' 0 C--O 1.238 0.487 0 CA-C-O 121.02 0.438 . . . . 10.0 110.834 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 101' ' ' LYS . . . . . 0.41 ' HB2' ' HE3' ' B' ' 101' ' ' LYS . 25.5 mtmt -66.37 -26.67 67.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.728 -0.669 . . . . 10.0 111.163 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 23.8 ttm180 -78.99 -41.1 29.84 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.942 0.401 . . . . 10.0 110.742 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 103' ' ' VAL . . . . . 0.53 HG23 ' O ' ' B' ' 99' ' ' GLN . 45.2 t -62.3 -51.49 71.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.037 -179.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -85.57 -10.6 55.69 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.378 -0.374 . . . . 10.0 111.625 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 55.68 41.45 30.44 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.691 0.758 . . . . 10.0 110.361 -178.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 10.7 t -140.77 135.86 31.92 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.043 -0.981 . . . . 10.0 109.573 -179.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -85.47 -23.82 27.64 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.265 0.555 . . . . 10.0 110.384 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -99.17 89.48 4.25 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.185 -0.461 . . . . 10.0 111.035 -179.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 55.0 t -121.08 129.65 25.19 Favored Pre-proline 0 C--O 1.236 0.394 0 CA-C-N 115.692 -0.685 . . . . 10.0 109.643 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -62.45 106.88 0.52 Allowed 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.805 2.337 . . . . 10.0 111.587 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 111' ' ' MET . . . . . 0.643 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 64.7 mtm -135.64 151.79 50.58 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.917 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . 0.419 ' HB ' HD12 ' B' ' 79' ' ' LEU . 92.4 t -132.52 133.8 59.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 109.686 -0.487 . . . . 10.0 109.686 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 16.8 tp -89.75 114.4 26.09 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.077 0.465 . . . . 10.0 109.802 179.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 63.2 t -113.06 122.5 67.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.961 -0.563 . . . . 10.0 111.355 -178.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -102.46 109.88 3.64 Favored Glycine 0 N--CA 1.447 -0.576 0 N-CA-C 110.811 -0.916 . . . . 10.0 110.811 178.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 116' ' ' ASN . . . . . 0.466 ' HB2' HD11 ' B' ' 19' ' ' LEU . 66.0 t30 -92.71 165.49 12.93 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 117.076 0.438 . . . . 10.0 111.24 -179.492 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 83.7 mttt 62.01 31.45 17.97 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 112.63 0.604 . . . . 10.0 112.63 179.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 118' ' ' CYS . . . . . 0.412 ' HA ' ' CD1' ' B' ' 84' ' ' ILE . 60.4 m -72.98 1.18 9.36 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.651 0.611 . . . . 10.0 112.651 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -101.09 1.76 39.67 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.825 0.345 . . . . 10.0 110.916 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . 0.433 ' HA ' ' HD3' ' B' ' 121' ' ' PRO . 54.9 mt -85.89 145.2 40.63 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.377 -0.374 . . . . 10.0 111.112 179.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 121' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' B' ' 120' ' ' LEU . 5.8 Cg_exo -79.46 150.7 22.25 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 122.996 2.464 . . . . 10.0 111.106 179.106 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 53.6 m 63.87 81.99 0.19 Allowed 'General case' 0 C--O 1.236 0.392 0 N-CA-C 112.63 0.604 . . . . 10.0 112.63 -179.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 123' ' ' ARG . . . . . 0.578 ' HB3' HD12 ' B' ' 84' ' ' ILE . 6.1 ptp180 -100.27 139.8 35.42 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.866 -0.606 . . . . 10.0 110.44 179.598 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 2.7 m -88.13 -43.56 11.57 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.091 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 125' ' ' VAL . . . . . 0.455 ' HB ' ' HA ' ' B' ' 84' ' ' ILE . 47.9 t -89.49 113.45 25.91 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 CA-C-N 115.839 -0.618 . . . . 10.0 109.639 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 126' ' ' ASP . . . . . 0.559 ' HB3' ' HG2' ' B' ' 128' ' ' LYS . 7.7 m-20 -80.53 149.32 30.03 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.534 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.52 -37.69 79.02 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.772 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 128' ' ' LYS . . . . . 0.559 ' HG2' ' HB3' ' B' ' 126' ' ' ASP . 14.8 ptpt -54.96 -45.13 74.89 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 113.147 0.795 . . . . 10.0 113.147 -179.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -75.61 -35.59 60.49 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.921 -0.312 . . . . 10.0 111.792 -179.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -69.16 -42.43 75.93 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.208 0.528 . . . . 10.0 111.042 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -68.38 -40.52 81.35 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.917 -0.583 . . . . 10.0 111.737 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 132' ' ' ASP . . . . . 0.415 ' HB2' ' HB3' ' C' ' 47' ' ' ASP . 17.8 t70 -63.23 -38.63 91.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.943 0.401 . . . . 10.0 110.617 179.428 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 21.7 tp -65.88 -44.89 84.02 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.118 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -58.39 -45.19 88.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.796 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 135' ' ' ARG . . . . . 0.547 ' HD3' ' CG ' ' C' ' 161' ' ' ARG . 33.6 ttp85 -59.93 -43.39 94.98 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.011 -0.54 . . . . 10.0 110.721 179.651 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 19.2 m -63.08 -23.72 67.57 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.032 -0.531 . . . . 10.0 111.873 -179.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 19.5 m-30 -99.36 -5.55 29.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.911 0.386 . . . . 10.0 111.659 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 76.44 28.04 60.42 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.939 -0.648 . . . . 10.0 113.041 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 45.4 pt -119.45 153.31 53.79 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 116.598 0.199 . . . . 10.0 110.737 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -86.32 153.84 9.35 Favored 'Trans proline' 0 N--CA 1.46 -0.455 0 C-N-CA 122.536 2.157 . . . . 10.0 111.602 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -124.44 132.65 53.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.469 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 2.6 mp -133.89 127.12 51.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.155 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -79.88 135.23 36.39 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 108.977 -0.749 . . . . 10.0 108.977 178.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 47.6 p -136.81 -178.77 5.33 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.518 0.675 . . . . 10.0 111.62 -178.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 10.5 t -167.26 119.39 0.92 Allowed 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 107.878 -1.156 . . . . 10.0 107.878 178.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -76.79 -27.9 55.43 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.977 -0.749 . . . . 10.0 108.977 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -63.77 -46.19 86.39 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.78 -1.1 . . . . 10.0 111.635 179.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 40.6 p -101.87 -0.95 33.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.922 0.391 . . . . 10.0 111.077 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 30.1 ttt-85 59.77 46.51 11.41 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.688 -0.687 . . . . 10.0 111.231 -179.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -96.42 125.58 41.02 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.619 -0.718 . . . . 10.0 110.739 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 65.2 12.36 55.05 Favored Glycine 0 C--N 1.335 0.484 0 C-N-CA 121.46 -0.4 . . . . 10.0 113.896 178.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 31.2 t -59.57 -44.83 94.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.697 0.248 . . . . 10.0 111.505 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -75.86 -41.92 50.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.239 -0.437 . . . . 10.0 110.444 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -56.96 -37.72 71.97 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.614 0.598 . . . . 10.0 112.614 -178.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -56.58 -51.56 68.15 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.024 0.44 . . . . 10.0 111.079 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 156' ' ' PHE . . . . . 0.403 ' CD2' HD22 ' B' ' 23' ' ' LEU . 77.2 m-85 -70.09 -39.47 75.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.995 -0.548 . . . . 10.0 111.02 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -57.41 -48.37 79.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.677 179.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 158' ' ' THR . . . . . 0.5 ' O ' ' HG2' ' B' ' 162' ' ' GLU . 30.9 m -62.5 -43.56 98.52 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.954 -0.567 . . . . 10.0 111.196 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 159' ' ' LEU . . . . . 0.509 HD22 HD13 ' B' ' 79' ' ' LEU . 30.0 tp -58.55 -50.73 72.73 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.642 0.258 . . . . 10.0 111.264 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 74.3 t -61.25 -41.94 91.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.313 0.578 . . . . 10.0 110.263 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 22.1 ttp180 -62.86 -38.89 92.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.573 -0.739 . . . . 10.0 111.037 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 162' ' ' GLU . . . . . 0.5 ' HG2' ' O ' ' B' ' 158' ' ' THR . 60.4 mm-40 -65.61 -39.99 92.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.643 -0.253 . . . . 10.0 110.556 179.291 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 163' ' ' ILE . . . . . 0.53 HD11 ' HA3' ' B' ' 77' ' ' GLY . 67.3 mt -63.28 -44.39 99.13 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 N-CA-C 109.304 -0.628 . . . . 10.0 109.304 178.622 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 164' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' B' ' 164' ' ' ARG . 39.0 ttm180 -63.04 -42.73 99.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.712 -0.676 . . . . 10.0 109.332 179.102 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 30.9 ttmt . . . . . 0 C--N 1.332 -0.186 0 CA-C-N 115.546 -0.752 . . . . 10.0 109.507 178.871 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 7.4 m . . . . . 0 N--CA 1.455 -0.211 0 CA-C-O 120.526 0.203 . . . . 10.0 111.044 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 2' ' ' THR . . . . . 0.623 ' HB ' ' CE2' ' C' ' 4' ' ' TYR . 0.0 OUTLIER -85.81 120.47 27.26 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.482 -0.327 . . . . 10.0 110.219 179.521 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -87.77 131.2 34.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.698 0.285 . . . . 10.0 110.619 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 4' ' ' TYR . . . . . 0.623 ' CE2' ' HB ' ' C' ' 2' ' ' THR . 97.8 m-85 -129.45 119.36 23.65 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.301 -0.408 . . . . 10.0 110.39 179.449 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 48.5 mttm -87.83 113.8 23.83 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.034 0.445 . . . . 10.0 110.016 179.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . 0.43 ' O ' ' HA ' ' C' ' 55' ' ' ILE . 17.3 mt -113.31 126.2 55.13 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.852 -0.613 . . . . 10.0 111.211 -178.05 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 46.4 t -112.88 123.66 68.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.295 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 3.0 t -87.12 123.14 39.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.229 -0.656 . . . . 10.0 109.229 179.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 27.7 m -119.13 156.73 21.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.975 0.417 . . . . 10.0 111.795 -179.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 146.11 171.32 15.45 Favored Glycine 0 N--CA 1.444 -0.788 0 N-CA-C 110.998 -0.841 . . . . 10.0 110.998 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.37 164.34 23.15 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.721 0.296 . . . . 10.0 110.412 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.54 142.47 37.35 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.955 -0.298 . . . . 10.0 110.509 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 91.48 3.49 69.08 Favored Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 116.007 -0.542 . . . . 10.0 113.466 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 14' ' ' VAL . . . . . 0.508 ' CG2' ' HG3' ' C' ' 16' ' ' LYS . 33.8 m -80.48 -30.91 12.55 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 N-CA-C 112.789 0.663 . . . . 10.0 112.789 -179.57 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 118.84 18.64 4.67 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.299 -0.953 . . . . 10.0 113.255 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . 0.508 ' HG3' ' CG2' ' C' ' 14' ' ' VAL . 54.1 mtmt -59.11 -41.72 88.83 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.022 0.439 . . . . 10.0 111.024 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 49.9 m -77.41 -38.46 49.73 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.145 -0.479 . . . . 10.0 110.446 -179.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.16 -43.02 96.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.401 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 19' ' ' LEU . . . . . 0.419 HD22 HG22 ' C' ' 152' ' ' VAL . 79.7 mt -64.74 -44.94 88.53 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.823 179.13 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 30.5 m -63.22 -46.67 85.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.969 -0.56 . . . . 10.0 111.554 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 98.2 mt -61.39 -34.07 59.56 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 CA-C-O 120.949 0.404 . . . . 10.0 110.485 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 22' ' ' GLN . . . . . 0.456 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 4.9 mm-40 -68.72 -13.89 62.67 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.586 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 24.6 tp -104.53 -36.3 7.57 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 120.961 0.41 . . . . 10.0 110.62 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 45.8 mm -76.74 -65.48 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.433 -0.349 . . . . 10.0 111.438 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -93.95 -13.93 26.52 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.901 0.382 . . . . 10.0 111.06 -179.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 26' ' ' ASN . . . . . 0.456 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 57.3 m-80 66.88 50.26 1.11 Allowed 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 113.545 0.943 . . . . 10.0 113.545 178.485 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 25.1 p80 -149.58 154.23 38.35 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.783 -0.19 . . . . 10.0 110.729 178.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -98.61 137.98 36.46 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.749 -0.205 . . . . 10.0 111.198 -179.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 2.0 m -103.13 123.3 56.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.457 . . . . 10.0 110.808 179.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -82.59 -22.13 34.95 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.27 0.557 . . . . 10.0 110.8 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -94.68 135.03 36.63 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.801 -0.636 . . . . 10.0 110.462 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -66.12 132.47 48.58 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.706 -0.225 . . . . 10.0 110.67 -179.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . 0.419 ' HA ' ' HD3' ' C' ' 34' ' ' PRO . 19.2 t70 -111.49 108.37 56.54 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 116.459 -0.337 . . . . 10.0 111.217 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 34' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' C' ' 33' ' ' ASP . 3.3 Cg_exo -81.14 70.42 7.49 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 123.2 2.6 . . . . 10.0 111.167 179.64 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.28 156.45 36.35 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.132 -0.485 . . . . 10.0 111.498 -179.659 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 37.1 mm -102.23 -68.1 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 108.982 -0.747 . . . . 10.0 108.982 178.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -159.27 81.19 0.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.334 -0.848 . . . . 10.0 109.447 179.522 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -102.47 141.74 34.79 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.676 0.274 . . . . 10.0 111.108 -179.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -113.58 142.35 46.07 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.086 -0.506 . . . . 10.0 110.692 -179.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -132.38 135.56 46.22 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.537 -0.301 . . . . 10.0 110.406 -179.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -116.57 128.71 55.66 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.196 0.443 . . . . 10.0 112.196 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 34.8 tttp -142.74 133.48 25.35 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.813 -0.631 . . . . 10.0 109.694 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -107.69 110.79 22.73 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.846 0.355 . . . . 10.0 110.754 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 44' ' ' VAL . . . . . 0.478 HG23 HG13 ' C' ' 46' ' ' ILE . 3.8 m -122.82 -178.44 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.688 -179.683 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -113.09 69.92 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.967 0.413 . . . . 10.0 111.522 -179.183 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 46' ' ' ILE . . . . . 0.662 HD11 HD11 ' C' ' 53' ' ' LEU . 64.8 mt -73.92 124.47 31.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 CA-C-N 116.022 -0.535 . . . . 10.0 110.399 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 47' ' ' ASP . . . . . 0.415 ' HB3' ' HB2' ' B' ' 132' ' ' ASP . 66.6 m-20 67.04 14.65 9.91 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.899 -179.467 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.05 -39.81 2.65 Favored Glycine 0 N--CA 1.45 -0.417 0 CA-C-N 116.091 -0.504 . . . . 10.0 112.544 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -75.79 137.69 40.7 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.823 0.344 . . . . 10.0 111.704 -179.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 1.3 m -75.33 121.51 22.33 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.568 -0.901 . . . . 10.0 108.568 179.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -130.07 143.93 51.06 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.06 0.457 . . . . 10.0 112.068 -178.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 50.8 tp -97.74 112.58 24.41 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.677 -0.86 . . . . 10.0 108.677 178.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . 0.662 HD11 HD11 ' C' ' 46' ' ' ILE . 23.5 mt -94.42 124.5 38.48 Favored 'General case' 0 C--N 1.313 -1.017 0 N-CA-C 112.399 0.518 . . . . 10.0 112.399 -178.294 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -105.69 93.22 4.53 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.976 -1.12 . . . . 10.0 107.976 178.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 55' ' ' ILE . . . . . 0.43 ' HA ' ' O ' ' C' ' 6' ' ' LEU . 0.5 OUTLIER -91.11 146.83 5.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.216 -0.447 . . . . 10.0 111.922 -178.452 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 60.7 tp -133.51 121.17 21.78 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 115.677 -0.692 . . . . 10.0 111.072 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -93.3 109.13 20.67 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.551 -0.75 . . . . 10.0 109.377 179.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 72.7 p -97.9 156.45 16.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.344 -0.389 . . . . 10.0 111.485 -178.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -82.18 128.72 34.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.198 -0.455 . . . . 10.0 110.811 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -99.41 32.21 7.43 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.754 -0.736 . . . . 10.0 112.18 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -89.94 12.3 17.88 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.563 0.22 . . . . 10.0 111.417 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 62' ' ' GLU . . . . . 0.629 ' HG3' ' H ' ' C' ' 63' ' ' GLU . 3.3 tp10 63.76 -160.54 0.3 Allowed 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.982 -0.554 . . . . 10.0 111.495 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 63' ' ' GLU . . . . . 0.629 ' H ' ' HG3' ' C' ' 62' ' ' GLU . 2.8 tt0 73.76 -49.32 0.68 Allowed 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 123.639 0.776 . . . . 10.0 113.046 178.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 64' ' ' TYR . . . . . 0.501 ' HB3' ' HB2' ' C' ' 67' ' ' MET . 23.7 m-85 -73.97 76.85 1.68 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.362 0.504 . . . . 10.0 112.362 -178.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.03 -41.67 15.57 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.888 -0.597 . . . . 10.0 110.282 179.265 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.52 -38.24 41.09 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.057 -0.519 . . . . 10.0 110.682 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 67' ' ' MET . . . . . 0.501 ' HB2' ' HB3' ' C' ' 64' ' ' TYR . 92.0 mtp -70.21 -16.13 63.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.094 0.473 . . . . 10.0 110.727 179.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 68' ' ' ARG . . . . . 0.551 ' HA ' ' CZ ' ' C' ' 71' ' ' TYR . 2.2 ttp180 -76.88 -35.22 57.58 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.65 -0.704 . . . . 10.0 110.478 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 69' ' ' ASP . . . . . 0.422 ' OD1' HG22 ' C' ' 103' ' ' VAL . 0.4 OUTLIER -58.39 -39.68 80.29 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.666 -0.697 . . . . 10.0 111.705 -178.728 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -54.85 -60.31 3.54 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 113.294 0.85 . . . . 10.0 113.294 -178.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 71' ' ' TYR . . . . . 0.551 ' CZ ' ' HA ' ' C' ' 68' ' ' ARG . 3.6 p90 -75.22 -21.48 58.61 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.263 0.838 . . . . 10.0 113.263 -178.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 72' ' ' MET . . . . . 0.916 ' HA ' ' HZ ' ' C' ' 78' ' ' PHE . 31.7 mtt -66.89 -38.84 87.03 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.12 0.486 . . . . 10.0 111.223 179.753 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 23.5 ttm105 -76.31 -24.82 54.36 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 6.4 m -86.12 -22.12 27.26 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.606 -179.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -72.22 141.12 30.8 Favored Glycine 0 C--O 1.239 0.428 0 C-N-CA 120.757 -0.735 . . . . 10.0 114.048 -178.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -95.84 -35.38 11.52 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 109.415 -0.587 . . . . 10.0 109.415 178.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -139.5 142.77 13.09 Favored Glycine 0 N--CA 1.445 -0.751 0 N-CA-C 110.498 -1.041 . . . . 10.0 110.498 179.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 78' ' ' PHE . . . . . 0.916 ' HZ ' ' HA ' ' C' ' 72' ' ' MET . 38.6 m-85 -120.23 125.25 47.68 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.258 0.551 . . . . 10.0 112.125 -179.04 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 79' ' ' LEU . . . . . 0.467 HD13 HD22 ' C' ' 159' ' ' LEU . 12.0 tp -96.16 106.25 18.42 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.451 -0.795 . . . . 10.0 109.907 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 80' ' ' CYS . . . . . 0.405 ' HB3' HG23 ' C' ' 93' ' ' ILE . 3.9 m -81.67 93.21 6.72 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.114 -0.493 . . . . 10.0 109.685 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 59.6 t -99.59 126.75 52.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.321 -0.399 . . . . 10.0 111.558 -178.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -134.4 168.04 19.64 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.301 -0.629 . . . . 10.0 109.301 178.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 83' ' ' ALA . . . . . 0.407 ' HB3' ' HB3' ' C' ' 86' ' ' ASN . . . -104.37 127.27 52.01 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 110.038 -0.356 . . . . 10.0 110.038 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 84' ' ' ILE . . . . . 0.552 HD12 ' HB3' ' C' ' 123' ' ' ARG . 17.5 pt -64.13 -19.57 25.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.474 -0.33 . . . . 10.0 111.681 -179.664 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 -97.38 6.01 48.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.414 -0.357 . . . . 10.0 110.94 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 86' ' ' ASN . . . . . 0.407 ' HB3' ' HB3' ' C' ' 83' ' ' ALA . 22.9 t-20 -133.77 98.9 4.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.066 0.46 . . . . 10.0 110.792 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.25 -37.17 74.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.679 -0.692 . . . . 10.0 112.219 -179.28 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -56.22 -48.59 76.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.888 0.375 . . . . 10.0 111.372 -179.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 84.4 p -61.48 -31.48 71.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.283 -0.417 . . . . 10.0 111.832 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -68.02 -45.34 74.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.704 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -70.32 -33.39 71.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.964 -0.562 . . . . 10.0 111.274 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.06 -25.48 65.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.717 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 93' ' ' ILE . . . . . 0.405 HG23 ' HB3' ' C' ' 80' ' ' CYS . 50.2 mm -61.77 -32.17 53.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.986 179.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -65.99 -41.47 91.06 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.548 -0.538 . . . . 10.0 109.548 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -61.42 -41.1 96.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.6 -0.727 . . . . 10.0 110.021 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -67.25 -43.13 82.66 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.75 -0.659 . . . . 10.0 110.943 179.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -54.91 -48.54 72.93 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-O 120.744 0.307 . . . . 10.0 111.812 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -68.07 -39.56 82.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.415 -0.357 . . . . 10.0 111.637 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 99' ' ' GLN . . . . . 0.566 ' O ' HG23 ' C' ' 103' ' ' VAL . 24.0 tt0 -62.57 -51.49 67.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.451 . . . . 10.0 111.154 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 76.2 mt -56.34 -44.02 78.69 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 CA-C-O 120.978 0.418 . . . . 10.0 110.985 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -62.09 -32.9 73.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.803 -0.635 . . . . 10.0 111.57 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 7.3 tmm_? -78.52 -37.37 43.22 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.609 -0.269 . . . . 10.0 110.979 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 103' ' ' VAL . . . . . 0.566 HG23 ' O ' ' C' ' 99' ' ' GLN . 98.3 t -62.22 -52.97 53.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.29 -0.414 . . . . 10.0 111.498 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -86.15 -5.5 59.19 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.555 -0.293 . . . . 10.0 111.579 -179.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 36.6 t70 51.64 63.37 2.27 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.536 -0.756 . . . . 10.0 111.803 -178.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 63.4 m -156.89 142.14 17.31 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.524 -0.762 . . . . 10.0 109.715 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -84.93 -20.17 31.08 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.09 0.471 . . . . 10.0 110.547 179.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -112.35 96.53 6.06 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.821 -179.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -122.71 130.63 24.56 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 115.742 -0.663 . . . . 10.0 109.345 179.664 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -56.53 105.13 0.16 Allowed 'Trans proline' 0 C--O 1.235 0.362 0 C-N-CA 122.988 2.459 . . . . 10.0 112.364 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 111' ' ' MET . . . . . . . . . . . . . 65.7 mtt -130.97 149.49 52.57 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.967 -0.56 . . . . 10.0 110.42 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 112' ' ' VAL . . . . . 0.419 ' HB ' HD12 ' C' ' 79' ' ' LEU . 77.0 t -135.79 125.3 40.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 108.93 -0.767 . . . . 10.0 108.93 178.264 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 16.1 tp -84.37 119.24 24.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.898 0.38 . . . . 10.0 110.201 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 65.2 t -120.3 121.74 66.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.107 0.479 . . . . 10.0 111.358 -178.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -100.65 102.26 2.42 Favored Glycine 0 N--CA 1.448 -0.536 0 N-CA-C 110.775 -0.93 . . . . 10.0 110.775 178.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -87.65 168.92 12.59 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.81 0.338 . . . . 10.0 111.672 -178.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 82.2 mttt 67.72 31.66 5.82 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 115.41 -0.814 . . . . 10.0 111.623 179.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 118' ' ' CYS . . . . . 0.55 ' HA ' ' CD1' ' C' ' 84' ' ' ILE . 58.5 m -71.33 -1.26 12.28 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 112.375 0.509 . . . . 10.0 112.375 -179.589 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -89.22 -25.42 21.76 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.5 -0.555 . . . . 10.0 109.5 178.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 61.1 mt -70.85 126.69 92.18 Favored Pre-proline 0 N--CA 1.449 -0.486 0 CA-C-N 115.848 -0.615 . . . . 10.0 110.577 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -75.26 158.65 41.08 Favored 'Trans proline' 0 CA--C 1.529 0.235 0 C-N-CA 122.942 2.428 . . . . 10.0 111.992 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 12.8 m 64.26 66.09 0.64 Allowed 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.756 0.789 . . . . 10.0 111.934 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 123' ' ' ARG . . . . . 0.552 ' HB3' HD12 ' C' ' 84' ' ' ILE . 16.3 ptp180 -79.29 151.27 31.19 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.254 -0.885 . . . . 10.0 111.034 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.74 -37.9 12.1 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.47 -0.332 . . . . 10.0 110.509 178.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 58.0 t -98.24 121.04 48.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 109.788 -0.449 . . . . 10.0 109.788 179.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 126' ' ' ASP . . . . . 0.512 ' OD1' ' HG2' ' C' ' 128' ' ' LYS . 9.8 t70 -77.44 152.18 34.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.575 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 5.9 m -60.55 -43.51 97.13 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.165 -0.471 . . . . 10.0 110.975 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 128' ' ' LYS . . . . . 0.512 ' HG2' ' OD1' ' C' ' 126' ' ' ASP . 15.3 ptpt -63.78 -46.0 87.2 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.708 0.633 . . . . 10.0 112.708 -178.437 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -65.76 -31.71 72.84 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 120.772 -0.371 . . . . 10.0 111.058 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -75.35 -42.3 54.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.305 0.574 . . . . 10.0 109.982 179.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -66.05 -36.07 82.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.78 -0.645 . . . . 10.0 110.647 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -60.06 -40.2 88.65 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.389 0.614 . . . . 10.0 109.984 178.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 20.1 tp -66.69 -37.83 85.53 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.655 -0.702 . . . . 10.0 110.335 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.25 -34.13 77.31 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.802 -0.636 . . . . 10.0 109.801 178.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 3.8 tmm_? -60.79 -44.18 97.14 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.517 -0.765 . . . . 10.0 110.441 179.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 12.1 m -64.74 -31.77 73.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.07 -0.514 . . . . 10.0 111.726 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 13.7 m-30 -83.8 -24.64 30.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.133 0.492 . . . . 10.0 110.509 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 85.45 21.91 52.71 Favored Glycine 0 N--CA 1.444 -0.77 0 N-CA-C 111.224 -0.75 . . . . 10.0 111.224 -178.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 45.3 pt -113.98 158.69 38.63 Favored Pre-proline 0 C--N 1.327 -0.4 0 N-CA-C 110.214 -0.291 . . . . 10.0 110.214 -179.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -84.86 152.45 11.32 Favored 'Trans proline' 0 N--CA 1.462 -0.367 0 C-N-CA 122.971 2.447 . . . . 10.0 112.22 -179.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -122.65 134.17 54.5 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.389 -0.597 . . . . 10.0 109.389 179.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 65.9 mt -133.93 131.88 56.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.743 0.306 . . . . 10.0 110.596 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 143' ' ' GLU . . . . . 0.541 ' HB3' ' SG ' ' C' ' 118' ' ' CYS . 55.0 mt-10 -86.77 128.68 35.03 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.758 -0.83 . . . . 10.0 108.758 178.632 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 144' ' ' THR . . . . . 0.454 HG22 ' HA3' ' C' ' 151' ' ' GLY . 61.1 p -131.25 174.09 10.4 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.744 0.783 . . . . 10.0 112.255 -178.363 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 11.2 t -162.64 114.76 1.61 Allowed 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 114.675 -1.148 . . . . 10.0 108.347 178.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -66.56 -28.22 68.36 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.659 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 67.9 tttt -59.31 -33.05 70.64 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.999 -0.546 . . . . 10.0 111.811 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -120.72 8.19 10.58 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 111.914 0.339 . . . . 10.0 111.914 -179.255 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 55.81 14.14 1.25 Allowed 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 113.576 0.954 . . . . 10.0 113.576 179.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -76.02 133.59 40.35 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.388 -0.369 . . . . 10.0 111.328 -179.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 151' ' ' GLY . . . . . 0.454 ' HA3' HG22 ' C' ' 144' ' ' THR . . . 81.01 -17.4 11.78 Favored Glycine 0 C--N 1.332 0.335 0 CA-C-N 115.987 -0.551 . . . . 10.0 113.635 179.206 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 152' ' ' VAL . . . . . 0.419 HG22 HD22 ' C' ' 19' ' ' LEU . 96.2 t -53.91 -50.25 54.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.904 0.383 . . . . 10.0 111.813 -178.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -59.37 -58.5 8.34 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.101 -0.499 . . . . 10.0 111.526 -179.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -57.76 -36.5 72.2 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.715 0.635 . . . . 10.0 112.715 -178.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -56.13 -50.65 70.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.641 0.258 . . . . 10.0 111.368 179.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -73.17 -35.26 66.39 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.379 -0.373 . . . . 10.0 111.13 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 4.3 m-30 -63.14 -49.12 75.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.404 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 40.3 m -63.09 -37.52 87.54 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.387 179.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 159' ' ' LEU . . . . . 0.467 HD22 HD13 ' C' ' 79' ' ' LEU . 45.0 tp -55.42 -47.88 75.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.528 179.597 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 160' ' ' VAL . . . . . 0.416 ' HA ' HD12 ' C' ' 163' ' ' ILE . 79.3 t -70.14 -41.26 78.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.577 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 161' ' ' ARG . . . . . 0.547 ' CG ' ' HD3' ' B' ' 135' ' ' ARG . 20.1 ttp-105 -59.86 -41.31 91.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.637 -0.71 . . . . 10.0 111.963 -179.537 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -62.19 -35.55 79.17 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.893 0.377 . . . . 10.0 111.249 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 163' ' ' ILE . . . . . 0.433 HG13 ' O ' ' C' ' 159' ' ' LEU . 54.8 mt -62.21 -43.56 98.06 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 N-CA-C 108.932 -0.766 . . . . 10.0 108.932 178.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -63.27 -40.89 98.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.236 -0.893 . . . . 10.0 109.875 179.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -61.89 -45.42 93.82 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.737 -0.665 . . . . 10.0 110.771 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 29.1 t-80 -61.05 -50.98 71.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.906 -0.588 . . . . 10.0 111.18 -179.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 97.2 mttt . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.126 -0.488 . . . . 10.0 111.708 -179.869 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.854 0.359 . . . . 10.0 111.378 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 58.7 mt -70.64 -28.74 65.04 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.303 -0.408 . . . . 10.0 111.108 -179.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 89.5 mt -71.64 -48.81 45.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.15 -0.477 . . . . 10.0 110.675 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -61.62 -41.47 97.52 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.638 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 206' ' ' ASN . . . . . 0.463 ' O ' HG23 ' A' ' 210' ' ' VAL . 8.7 m120 -69.2 -35.02 75.79 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 116.115 -0.493 . . . . 10.0 111.228 179.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 9.3 t90 -63.43 -32.33 73.74 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.129 0.49 . . . . 10.0 110.517 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -63.61 -39.38 94.23 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.743 -0.662 . . . . 10.0 109.892 178.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.04 -31.49 72.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.309 0.576 . . . . 10.0 110.482 179.508 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 210' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 206' ' ' ASN . 33.5 t -74.59 -47.21 40.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.789 -0.641 . . . . 10.0 109.758 178.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 46.7 m -60.44 -43.45 96.82 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.69 -0.687 . . . . 10.0 111.728 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 4.0 p -61.8 -37.35 84.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.965 0.412 . . . . 10.0 110.5 179.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 53.1 m -65.98 -43.66 87.2 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.489 -0.56 . . . . 10.0 109.489 178.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -60.8 -44.07 97.34 Favored 'General case' 0 C--N 1.334 -0.095 0 CA-C-N 115.892 -0.595 . . . . 10.0 110.961 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 46.8 m -63.03 -46.31 88.17 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.318 -0.401 . . . . 10.0 111.072 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 22.7 mttt -65.32 -32.07 73.53 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.002 0.429 . . . . 10.0 110.374 178.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 217' ' ' LEU . . . . . 0.53 ' O ' ' HG ' ' A' ' 221' ' ' LEU . 19.3 mt -68.86 -45.44 71.04 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 108.975 -0.75 . . . . 10.0 108.975 177.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 218' ' ' ARG . . . . . 0.585 ' HA ' HD12 ' A' ' 221' ' ' LEU . 43.4 mtt180 -62.79 -37.21 85.77 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.737 179.347 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -64.67 -27.34 68.86 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.938 0.399 . . . . 10.0 110.614 178.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -90.08 -28.65 18.87 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.335 179.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 221' ' ' LEU . . . . . 0.585 HD12 ' HA ' ' A' ' 218' ' ' ARG . 66.0 mt -56.75 -37.36 70.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.725 -0.67 . . . . 10.0 111.219 179.597 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 222' ' ' GLY . . . . . 0.444 ' O ' ' HG3' ' A' ' 226' ' ' GLN . . . -56.12 -66.54 2.77 Favored Glycine 0 C--N 1.332 0.308 0 N-CA-C 111.51 -0.636 . . . . 10.0 111.51 178.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_exo -53.72 -42.99 61.77 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.466 2.111 . . . . 10.0 111.439 178.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 40.3 t -57.68 -52.4 58.04 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.177 0 CA-C-N 116.566 -0.288 . . . . 10.0 111.771 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 225' ' ' THR . . . . . 0.454 ' O ' ' HB2' ' A' ' 229' ' ' TRP . 15.5 p -61.38 -44.14 97.67 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 121.21 -0.196 . . . . 10.0 111.246 -179.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 226' ' ' GLN . . . . . 0.444 ' HG3' ' O ' ' A' ' 222' ' ' GLY . 23.4 mt-30 -62.04 -47.91 82.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.465 -0.334 . . . . 10.0 111.637 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -70.11 -39.1 75.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.539 -0.3 . . . . 10.0 110.918 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 21.3 t80 -65.63 -42.71 91.19 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.991 -0.374 . . . . 10.0 109.991 179.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 229' ' ' TRP . . . . . 0.454 ' HB2' ' O ' ' A' ' 225' ' ' THR . 0.0 OUTLIER -64.29 -36.19 83.3 Favored 'General case' 0 CA--C 1.521 -0.153 0 N-CA-C 109.677 -0.49 . . . . 10.0 109.677 178.741 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.86 -43.7 95.33 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.133 -0.692 . . . . 10.0 109.133 178.246 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 231' ' ' ASN . . . . . 0.942 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 55.6 m-20 -68.1 -31.47 71.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.468 -0.787 . . . . 10.0 109.84 178.675 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 57.9 mt -70.92 -42.36 69.98 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 108.992 -0.744 . . . . 10.0 108.992 178.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -61.42 -34.37 75.27 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.411 178.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 234' ' ' LYS . . . . . 0.942 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 48.5 mttt -63.77 -47.48 80.8 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 108.873 -0.788 . . . . 10.0 108.873 177.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.72 -43.27 99.23 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.403 -0.817 . . . . 10.0 109.913 179.193 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 3.9 m -68.46 -34.62 76.26 Favored 'General case' 0 C--O 1.224 -0.275 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.048 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -61.56 -46.5 89.64 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 108.615 -0.883 . . . . 10.0 108.615 178.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -61.83 -42.9 99.8 Favored Glycine 0 N--CA 1.444 -0.768 0 N-CA-C 110.175 -1.17 . . . . 10.0 110.175 178.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 239' ' ' LEU . . . . . 0.493 ' HA ' ' HB2' ' A' ' 242' ' ' GLU . 43.1 mt -66.04 -29.55 69.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.769 -0.215 . . . . 10.0 111.172 178.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 57.6 mtt180 -70.14 -40.34 74.85 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.17 -0.678 . . . . 10.0 109.17 178.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -71.46 -35.03 70.74 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.577 -0.897 . . . . 10.0 108.577 177.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 242' ' ' GLU . . . . . 0.493 ' HB2' ' HA ' ' A' ' 239' ' ' LEU . 6.6 mt-10 -67.54 -38.19 83.83 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-N 115.196 -0.911 . . . . 10.0 109.506 178.138 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 243' ' ' MET . . . . . 0.632 ' HG3' HD12 ' A' ' 247' ' ' LEU . 43.1 ttm -61.01 -33.72 73.7 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.353 0.597 . . . . 10.0 109.821 179.304 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 4.5 m -76.83 6.56 5.92 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.76 -0.655 . . . . 10.0 110.922 179.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 38.5 mttm -130.78 -59.04 1.02 Allowed 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.096 179.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 246' ' ' ASP . . . . . 0.55 ' HB2' ' HD3' ' D' ' 528' ' ' ARG . 16.0 t70 -56.06 -54.19 47.99 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.927 -0.579 . . . . 10.0 111.052 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 247' ' ' LEU . . . . . 0.632 HD12 ' HG3' ' A' ' 243' ' ' MET . 6.7 mt -75.17 -35.5 61.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.149 -0.478 . . . . 10.0 111.415 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -64.65 -48.02 76.35 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.512 -0.313 . . . . 10.0 111.262 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -66.29 -40.09 89.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.101 -0.499 . . . . 10.0 110.038 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 250' ' ' VAL . . . . . 0.782 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 1.9 p -66.19 -35.48 75.1 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.447 0 C-N-CA 120.831 -0.347 . . . . 10.0 110.981 179.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -74.55 -36.13 63.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.13 0.49 . . . . 10.0 110.976 179.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 252' ' ' ALA . . . . . 0.412 ' HA ' ' NE2' ' A' ' 255' ' ' GLN . . . -74.98 -42.73 57.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.694 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 70.0 mttt -79.54 -23.25 42.98 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.363 0.505 . . . . 10.0 112.363 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 254' ' ' VAL . . . . . 0.782 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.8 OUTLIER -60.08 -27.19 38.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.957 -0.297 . . . . 10.0 110.931 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 255' ' ' GLN . . . . . 0.582 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 24.8 mt-30 -63.84 -65.08 2.25 Favored Pre-proline 0 N--CA 1.452 -0.35 0 CA-C-N 116.11 -0.496 . . . . 10.0 111.301 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 256' ' ' PRO . . . . . 0.582 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 32.6 Cg_endo -65.81 -30.06 49.93 Favored 'Trans proline' 0 C--N 1.358 1.042 0 C-N-CA 121.809 1.672 . . . . 10.0 112.103 179.48 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 6.2 m-30 -67.24 -53.77 27.02 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.756 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 19.4 mt -70.07 -33.35 71.81 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 116.426 -0.352 . . . . 10.0 110.51 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 259' ' ' ASP . . . . . 0.559 ' O ' ' HB2' ' A' ' 263' ' ' LYS . 15.6 t70 -60.79 -40.21 91.77 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.655 -0.498 . . . . 10.0 109.655 178.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -70.45 -43.92 68.89 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.448 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -63.56 -48.85 75.77 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.244 179.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -63.43 -37.82 88.75 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.764 -0.653 . . . . 10.0 110.27 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 263' ' ' LYS . . . . . 0.559 ' HB2' ' O ' ' A' ' 259' ' ' ASP . 26.5 ttmt -61.16 -46.61 89.83 Favored 'General case' 0 CA--C 1.519 -0.227 0 N-CA-C 109.585 -0.524 . . . . 10.0 109.585 178.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 264' ' ' LYS . . . . . 0.847 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 54.3 mttt -64.56 -41.23 96.45 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.816 -0.629 . . . . 10.0 109.808 178.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 16.8 m95 -62.9 -35.61 80.63 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.06 178.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 266' ' ' GLN . . . . . 0.427 ' O ' ' HG2' ' A' ' 270' ' ' GLU . 45.4 mt-30 -61.79 -47.45 85.11 Favored 'General case' 0 C--O 1.233 0.237 0 N-CA-C 108.822 -0.807 . . . . 10.0 108.822 178.159 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -63.06 -43.49 98.48 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 115.831 -0.622 . . . . 10.0 109.474 178.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 268' ' ' GLU . . . . . 0.459 ' HG3' ' O ' ' A' ' 264' ' ' LYS . 26.7 mt-10 -58.36 -43.6 88.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.751 -0.659 . . . . 10.0 110.406 179.057 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 56.4 mmm -63.66 -43.02 97.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.785 -0.643 . . . . 10.0 109.691 178.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 270' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 266' ' ' GLN . 6.3 mm-40 -63.85 -47.02 82.4 Favored 'General case' 0 C--O 1.224 -0.256 0 CA-C-N 116.084 -0.507 . . . . 10.0 109.921 179.119 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 72.2 mt -59.43 -42.9 92.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.395 179.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 272' ' ' TYR . . . . . 0.426 ' HD1' ' HA ' ' A' ' 272' ' ' TYR . 0.7 OUTLIER -67.84 -36.05 79.66 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.848 179.457 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 273' ' ' ARG . . . . . 0.457 ' HA ' HG12 ' A' ' 276' ' ' VAL . 69.9 mtt180 -72.55 -35.44 68.03 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.921 0.391 . . . . 10.0 110.712 179.265 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -75.01 -20.16 59.75 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.248 179.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 275' ' ' LYS . . . . . 0.642 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 8.2 mptt -95.57 -41.43 8.94 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.735 -0.666 . . . . 10.0 111.347 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 276' ' ' VAL . . . . . 0.457 HG12 ' HA ' ' A' ' 273' ' ' ARG . 7.8 p -55.96 -35.41 40.71 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.262 0 N-CA-C 112.86 0.689 . . . . 10.0 112.86 -178.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 277' ' ' GLU . . . . . 0.412 ' HB2' ' HD3' ' A' ' 278' ' ' PRO . 7.6 mt-10 -61.3 -63.01 4.82 Favored Pre-proline 0 CA--C 1.538 0.494 0 N-CA-C 112.379 0.511 . . . . 10.0 112.379 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 278' ' ' PRO . . . . . 0.465 ' O ' ' HG3' ' A' ' 282' ' ' GLU . 27.5 Cg_endo -64.51 -37.21 39.41 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 121.731 1.621 . . . . 10.0 112.146 179.051 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 279' ' ' LEU . . . . . 0.642 ' HG ' ' O ' ' A' ' 275' ' ' LYS . 19.0 mt -64.26 -46.58 83.13 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.864 -0.153 . . . . 10.0 111.242 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 31.7 ttm180 -64.87 -32.78 74.64 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.629 -0.508 . . . . 10.0 109.629 178.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -64.54 -45.78 85.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.97 -0.559 . . . . 10.0 109.543 178.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 282' ' ' GLU . . . . . 0.465 ' HG3' ' O ' ' A' ' 278' ' ' PRO . 90.1 mt-10 -65.11 -40.98 95.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.558 -0.746 . . . . 10.0 109.615 178.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 84.7 mt -67.27 -32.84 74.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.98 -0.554 . . . . 10.0 110.61 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 -72.48 -50.2 27.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 10.0 109.887 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -63.63 -43.32 97.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 10.0 109.695 178.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -61.12 -41.72 99.56 Favored Glycine 0 N--CA 1.445 -0.766 0 N-CA-C 110.522 -1.031 . . . . 10.0 110.522 178.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -63.9 -45.77 87.86 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 109.27 -0.641 . . . . 10.0 109.27 178.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 288' ' ' ARG . . . . . 0.724 ' O ' ' HB2' ' A' ' 292' ' ' HIS . 62.5 mtt180 -55.92 -47.95 76.57 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.648 179.413 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 7.5 tm0? -66.26 -53.04 41.62 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.897 0.332 . . . . 10.0 111.897 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 290' ' ' LYS . . . . . 0.45 ' O ' ' HG ' ' A' ' 294' ' ' LEU . 70.5 mttt -60.89 -47.0 88.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.389 -0.369 . . . . 10.0 111.976 -179.13 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 291' ' ' LEU . . . . . 0.427 HD23 HD12 ' A' ' 294' ' ' LEU . 97.0 mt -67.05 -31.46 71.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.503 -0.317 . . . . 10.0 110.418 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 292' ' ' HIS . . . . . 0.724 ' HB2' ' O ' ' A' ' 288' ' ' ARG . 1.0 OUTLIER -64.26 -45.05 89.78 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 109.436 -0.579 . . . . 10.0 109.436 179.07 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.99 -36.55 81.82 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.691 -0.686 . . . . 10.0 109.632 178.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 294' ' ' LEU . . . . . 0.455 ' O ' ' HG ' ' A' ' 298' ' ' LEU . 77.1 mt -67.54 -41.91 83.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.911 -0.586 . . . . 10.0 109.635 178.357 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -64.68 -36.08 83.13 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.593 -0.521 . . . . 10.0 109.593 178.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -67.2 -10.79 54.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.349 -0.841 . . . . 10.0 110.406 179.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . 0.401 ' HB3' HD12 ' A' ' 301' ' ' LEU . 22.9 mmtp -109.06 -32.46 7.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.179 178.411 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 298' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 294' ' ' LEU . 66.0 mt -61.08 -30.39 70.31 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.118 -0.492 . . . . 10.0 111.527 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 299' ' ' SER . . . . . 0.448 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 12.9 m -75.66 -63.01 0.7 Allowed Pre-proline 0 C--N 1.324 -0.511 0 CA-C-O 119.304 -0.379 . . . . 10.0 111.877 179.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 300' ' ' PRO . . . . . 0.448 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 32.2 Cg_endo -63.42 -53.11 1.56 Allowed 'Trans proline' 0 C--N 1.358 1.046 0 C-N-CA 121.884 1.723 . . . . 10.0 112.401 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 301' ' ' LEU . . . . . 0.623 ' HB3' ' HE3' ' D' ' 473' ' ' LYS . 85.0 mt -65.93 -28.12 68.69 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-O 120.866 0.365 . . . . 10.0 110.061 179.719 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 302' ' ' GLY . . . . . 0.49 ' O ' ' HG3' ' A' ' 306' ' ' ARG . . . -68.84 -55.58 10.88 Favored Glycine 0 N--CA 1.448 -0.516 0 N-CA-C 110.989 -0.844 . . . . 10.0 110.989 178.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -60.07 -40.17 88.57 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.417 -0.586 . . . . 10.0 109.417 178.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -59.18 -47.39 85.5 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.347 -0.842 . . . . 10.0 109.744 178.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 12.8 tpt -63.88 -42.65 97.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.282 178.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 306' ' ' ARG . . . . . 0.49 ' HG3' ' O ' ' A' ' 302' ' ' GLY . 77.5 mtt180 -60.04 -52.3 65.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.885 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 307' ' ' ASP . . . . . 0.768 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 5.4 t70 -63.33 -38.91 92.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.421 -0.354 . . . . 10.0 111.021 -179.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 308' ' ' ARG . . . . . 0.521 ' HG3' HD21 ' D' ' 469' ' ' LEU . 21.6 mmt180 -68.15 -36.82 80.27 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.458 -0.337 . . . . 10.0 110.109 178.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -64.97 -38.06 89.72 Favored 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 108.905 -0.776 . . . . 10.0 108.905 178.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 310' ' ' ARG . . . . . 0.768 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 90.6 mtt180 -59.32 -43.79 92.65 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.481 -0.781 . . . . 10.0 109.261 178.099 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -68.04 -40.6 82.84 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.96 -0.564 . . . . 10.0 109.912 179.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -56.61 -52.48 64.69 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.673 -0.694 . . . . 10.0 110.089 179.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 24.6 t -74.05 -29.74 26.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.749 -0.66 . . . . 10.0 111.423 -179.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -62.52 -47.81 82.27 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.906 0.384 . . . . 10.0 110.322 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -64.88 -37.64 88.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.789 -0.641 . . . . 10.0 109.688 178.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 316' ' ' LEU . . . . . 0.408 ' O ' ' HG ' ' A' ' 320' ' ' LEU . 52.5 mt -66.98 -42.76 84.55 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-N 115.68 -0.691 . . . . 10.0 110.421 179.062 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 317' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' ' 317' ' ' ARG . 23.2 ttm105 -64.1 -47.38 80.28 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.948 -0.39 . . . . 10.0 109.948 179.255 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 26.5 m -62.52 -29.17 70.36 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.25 179.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -82.85 -39.97 20.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.506 179.314 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 320' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 316' ' ' LEU . 32.4 mt -66.12 -31.29 72.07 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.322 0.49 . . . . 10.0 112.322 -179.564 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 321' ' ' ALA . . . . . 0.43 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -51.8 -60.99 4.87 Favored Pre-proline 0 CA--C 1.54 0.591 0 N-CA-C 112.169 0.433 . . . . 10.0 112.169 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 322' ' ' PRO . . . . . 0.479 ' O ' ' HG3' ' A' ' 326' ' ' GLU . 54.1 Cg_endo -71.74 -31.57 12.91 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 121.748 1.632 . . . . 10.0 111.254 178.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 10.1 m-30 -61.68 -50.13 73.73 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-N 116.691 -0.231 . . . . 10.0 110.742 179.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 27.3 p -64.59 -37.52 87.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.899 0.381 . . . . 10.0 110.337 179.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.41 -43.95 97.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 10.0 110.36 179.029 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . 0.479 ' HG3' ' O ' ' A' ' 322' ' ' PRO . 31.6 mt-10 -75.1 -27.12 59.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.27 179.091 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 23.5 mt -66.11 -34.18 77.48 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 108.369 -0.974 . . . . 10.0 108.369 177.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 62.9 mtt180 -68.74 -35.68 77.42 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 108.646 -0.872 . . . . 10.0 108.646 177.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -65.26 -42.05 93.63 Favored 'General case' 0 CA--C 1.521 -0.168 0 N-CA-C 108.574 -0.899 . . . . 10.0 108.574 177.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 330' ' ' ARG . . . . . 0.488 ' O ' ' HG2' ' A' ' 334' ' ' ARG . 79.2 mtt180 -60.39 -52.15 66.45 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.117 -0.947 . . . . 10.0 108.516 177.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 331' ' ' LEU . . . . . 0.575 ' O ' ' HG ' ' A' ' 335' ' ' LEU . 67.6 mt -55.57 -43.8 76.27 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 115.646 -0.707 . . . . 10.0 110.304 179.038 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -59.21 -50.72 72.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.018 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -59.8 -41.94 92.32 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.332 -0.395 . . . . 10.0 110.482 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 334' ' ' ARG . . . . . 0.488 ' HG2' ' O ' ' A' ' 330' ' ' ARG . 26.3 mmt180 -63.51 -50.12 70.85 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.777 -0.647 . . . . 10.0 109.748 179.23 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 335' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' A' ' 331' ' ' LEU . 73.2 mt -61.93 -39.29 91.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 10.0 111.394 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -62.23 -50.44 71.76 Favored 'General case' 0 CA--C 1.519 -0.223 0 N-CA-C 109.769 -0.456 . . . . 10.0 109.769 179.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -62.49 -42.78 99.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.035 -0.53 . . . . 10.0 109.922 179.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 338' ' ' LEU . . . . . 0.44 ' O ' ' HA3' ' A' ' 342' ' ' GLY . 84.6 mt -63.18 -24.37 67.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.71 -0.677 . . . . 10.0 111.928 179.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -88.03 -47.42 8.54 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.48 0.181 . . . . 10.0 110.829 179.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -63.28 -52.92 60.06 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.228 0.537 . . . . 10.0 109.99 178.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -71.92 -34.33 68.99 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.576 -0.738 . . . . 10.0 109.957 179.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 342' ' ' GLY . . . . . 0.44 ' HA3' ' O ' ' A' ' 338' ' ' LEU . . . -64.31 -42.5 97.75 Favored Glycine 0 N--CA 1.452 -0.291 0 CA-C-N 115.749 -0.659 . . . . 10.0 111.883 179.638 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -61.66 -40.98 99.5 Favored Glycine 0 N--CA 1.448 -0.56 0 N-CA-C 110.657 -0.977 . . . . 10.0 110.657 178.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -63.33 -42.83 99.0 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.426 -0.583 . . . . 10.0 109.426 178.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 59.0 mtm180 -64.74 -39.72 94.1 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.259 179.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 60.1 mt -62.41 -47.95 81.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.07 -0.513 . . . . 10.0 110.717 179.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.61 -45.86 90.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.032 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -63.32 -47.03 83.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.694 -0.684 . . . . 10.0 110.683 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -62.17 -34.96 77.4 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.007 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -67.02 -46.22 75.14 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.007 -0.542 . . . . 10.0 109.614 178.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -63.22 -44.48 95.14 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 115.801 -0.636 . . . . 10.0 110.295 179.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 12.9 mttm -63.28 -37.43 87.21 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.609 179.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -61.41 -44.71 96.66 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.669 -0.493 . . . . 10.0 109.669 179.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 1.5 m -65.05 -34.96 79.68 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.034 -0.53 . . . . 10.0 109.95 178.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -62.69 -45.65 91.81 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 109.283 -0.636 . . . . 10.0 109.283 178.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 356' ' ' HIS . . . . . 0.475 ' O ' ' HB2' ' A' ' 360' ' ' LEU . 61.9 m-70 -67.99 -35.84 79.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.457 -0.792 . . . . 10.0 110.031 179.451 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 59.3 mt -64.79 -41.92 95.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 10.0 111.074 179.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 46.6 m -61.38 -45.68 93.37 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.842 0.353 . . . . 10.0 110.806 179.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 1.1 p -73.53 -27.61 61.44 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-O 121.073 0.463 . . . . 10.0 109.877 179.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 360' ' ' LEU . . . . . 0.746 HD12 ' HD2' ' A' ' 363' ' ' LYS . 13.9 tp -68.58 -30.64 69.44 Favored 'General case' 0 C--O 1.224 -0.278 0 N-CA-C 109.098 -0.705 . . . . 10.0 109.098 178.352 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 51.0 m -65.99 -29.53 69.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.58 -0.736 . . . . 10.0 109.548 178.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -70.18 -20.87 63.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.551 0.691 . . . . 10.0 109.213 178.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 363' ' ' LYS . . . . . 0.746 ' HD2' HD12 ' A' ' 360' ' ' LEU . 90.1 mttt -91.22 -34.62 14.91 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.355 -0.839 . . . . 10.0 109.254 178.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 364' ' ' ALA . . . . . 0.5 ' HA ' HD12 ' A' ' 368' ' ' LEU . . . -74.49 -38.89 62.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.609 -0.723 . . . . 10.0 112.519 -179.206 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 365' ' ' LYS . . . . . 0.999 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 91.6 mttt -94.71 -76.49 0.03 OUTLIER Pre-proline 0 CA--C 1.536 0.429 0 N-CA-C 112.895 0.702 . . . . 10.0 112.895 -179.54 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 366' ' ' PRO . . . . . 0.999 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 31.3 Cg_exo -59.9 -53.15 3.43 Favored 'Trans proline' 0 C--N 1.359 1.104 0 C-N-CA 122.572 2.182 . . . . 10.0 113.72 -178.576 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 367' ' ' ALA . . . . . 0.721 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -59.37 -56.77 17.8 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.245 0.461 . . . . 10.0 112.245 -178.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 368' ' ' LEU . . . . . 0.5 HD12 ' HA ' ' A' ' 364' ' ' ALA . 13.0 mt -58.27 -40.07 80.88 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 112.147 0.425 . . . . 10.0 112.147 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.81 -51.11 71.14 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 123.139 0.274 . . . . 10.0 110.294 179.41 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -64.78 -31.64 72.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.334 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 371' ' ' LEU . . . . . 0.507 ' O ' ' HG ' ' A' ' 375' ' ' LEU . 42.1 mt -65.48 -44.67 86.38 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.968 -0.753 . . . . 10.0 108.968 178.262 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 372' ' ' ARG . . . . . 0.427 ' HG3' ' O ' ' A' ' 368' ' ' LEU . 58.7 mtt180 -63.59 -43.62 96.4 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.96 -0.564 . . . . 10.0 109.697 178.763 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -66.25 -26.46 67.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.387 -0.824 . . . . 10.0 111.084 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -86.9 -33.74 12.07 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 121.132 -0.556 . . . . 10.0 111.94 179.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 375' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 371' ' ' LEU . 73.5 mt -71.85 -37.18 70.28 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.684 0.253 . . . . 10.0 111.684 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 25.1 mt -50.47 -58.41 9.99 Favored Pre-proline 0 CA--C 1.537 0.476 0 N-CA-C 113.322 0.86 . . . . 10.0 113.322 -179.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -62.88 -26.65 74.58 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 122.068 1.845 . . . . 10.0 111.548 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 41.1 t -69.83 -46.78 73.09 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 N-CA-C 108.579 -0.897 . . . . 10.0 108.579 178.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 379' ' ' LEU . . . . . 0.507 ' O ' ' HG3' ' A' ' 383' ' ' LYS . 52.0 mt -63.16 -34.9 78.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.41 -0.814 . . . . 10.0 109.277 178.591 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -60.32 -48.4 81.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.677 -0.692 . . . . 10.0 109.894 178.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 1.2 p -66.55 -35.04 79.26 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 120.983 0.42 . . . . 10.0 109.932 179.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -64.82 -33.28 75.62 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-N 115.759 -0.655 . . . . 10.0 110.765 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 383' ' ' LYS . . . . . 0.507 ' HG3' ' O ' ' A' ' 379' ' ' LEU . 97.5 mttt -59.02 -43.48 91.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.086 0.47 . . . . 10.0 109.789 179.192 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 21.2 t -63.85 -41.57 92.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.757 -0.656 . . . . 10.0 109.538 179.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 4.2 m -65.1 -43.89 90.58 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.815 -0.629 . . . . 10.0 110.937 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -64.5 -49.7 70.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 10.0 111.095 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 387' ' ' LEU . . . . . 0.519 ' O ' ' HG3' ' A' ' 391' ' ' GLU . 95.3 mt -61.31 -44.68 96.8 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.056 -0.52 . . . . 10.0 112.365 -179.337 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 388' ' ' SER . . . . . 0.589 ' HB2' ' HE2' ' D' ' 594' ' ' LYS . 11.7 p -61.86 -40.79 96.6 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.61 -0.268 . . . . 10.0 111.058 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -60.51 -43.01 97.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.13 179.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 81.9 mt -59.31 -41.34 88.83 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.464 -0.789 . . . . 10.0 109.776 179.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 391' ' ' GLU . . . . . 0.519 ' HG3' ' O ' ' A' ' 387' ' ' LEU . 35.5 mt-10 -66.06 -45.63 80.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.559 -0.746 . . . . 10.0 110.128 179.037 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -60.16 -47.57 85.38 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.09 -0.504 . . . . 10.0 112.042 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -59.61 -43.54 93.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.693 0.282 . . . . 10.0 111.315 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 7.2 m -71.01 -31.98 68.63 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.344 0.498 . . . . 10.0 112.344 -179.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -79.12 -36.55 40.44 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.137 0.421 . . . . 10.0 112.137 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 396' ' ' LYS . . . . . 0.712 ' HE2' ' HA ' ' D' ' 587' ' ' ALA . 14.7 mptt -91.92 -39.13 11.87 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 114.318 1.229 . . . . 10.0 114.318 -177.75 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 95.9 mt -105.16 16.35 25.93 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.86 0.689 . . . . 10.0 112.86 -177.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 45.4 t30 . . . . . 0 C--N 1.324 -0.529 0 CA-C-N 116.786 -0.188 . . . . 10.0 110.88 179.353 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 2.6 mm? . . . . . 0 CA--C 1.517 -0.293 0 CA-C-O 121.293 0.568 . . . . 10.0 109.872 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -115.76 28.05 8.9 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.244 -0.889 . . . . 10.0 109.76 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 92.7 mt -63.89 -32.58 74.15 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.792 -0.64 . . . . 10.0 111.175 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 23.0 mt -70.37 -34.45 72.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.944 0.402 . . . . 10.0 109.938 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -63.5 -53.86 45.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.63 -0.713 . . . . 10.0 110.737 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -66.05 -37.92 87.05 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.881 -0.599 . . . . 10.0 111.649 -179.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 17.2 t90 -62.59 -41.77 99.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.388 -0.369 . . . . 10.0 110.512 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -60.6 -31.84 70.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.288 -0.415 . . . . 10.0 110.577 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 2.0 m -65.48 -46.09 81.12 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.238 -0.652 . . . . 10.0 109.238 178.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 17.4 t -63.76 -37.58 80.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.852 -0.613 . . . . 10.0 109.629 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 27.3 m -62.37 -42.9 99.78 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.92 -0.582 . . . . 10.0 109.431 178.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 18.9 m -62.63 -41.47 99.03 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.833 -0.621 . . . . 10.0 109.703 178.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 411' ' ' THR . . . . . 0.567 ' O ' ' HG ' ' D' ' 415' ' ' LEU . 16.8 m -61.31 -45.02 96.18 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 115.671 -0.695 . . . . 10.0 110.249 178.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -58.74 -45.03 90.61 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.196 -0.456 . . . . 10.0 109.899 178.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 413' ' ' SER . . . . . 0.509 ' O ' ' HG3' ' D' ' 417' ' ' GLU . 4.6 m -60.67 -42.8 97.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.737 -0.665 . . . . 10.0 109.832 178.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 34.5 mmtt -62.42 -34.72 77.31 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.054 178.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 415' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' D' ' 411' ' ' THR . 92.2 mt -66.48 -40.12 89.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.008 -0.542 . . . . 10.0 109.583 179.152 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 416' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' D' ' 416' ' ' ARG . 28.7 mtt180 -67.36 -34.93 78.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.62 179.492 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 417' ' ' GLU . . . . . 0.509 ' HG3' ' O ' ' D' ' 413' ' ' SER . 42.8 mt-10 -65.74 -25.19 67.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 10.0 109.801 178.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -86.32 -53.53 4.96 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 108.722 -0.844 . . . . 10.0 108.722 178.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 72.1 mt -47.81 -38.42 15.84 Favored 'General case' 0 CA--C 1.522 -0.13 0 CA-C-N 115.352 -0.84 . . . . 10.0 112.578 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 420' ' ' GLY . . . . . 0.489 ' O ' ' HG3' ' D' ' 424' ' ' GLN . . . -53.1 -77.5 0.14 Allowed Glycine 0 CA--C 1.522 0.479 0 O-C-N 123.553 0.533 . . . . 10.0 112.339 179.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 421' ' ' PRO . . . . . 0.542 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 34.2 Cg_exo -61.62 -36.35 76.02 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.737 2.291 . . . . 10.0 112.056 179.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 4.9 t -56.14 -49.54 75.45 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.36 0 CA-C-N 116.552 -0.295 . . . . 10.0 111.559 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 22.9 p -65.48 -32.87 74.71 Favored 'General case' 0 C--O 1.226 -0.15 0 C-N-CA 120.893 -0.323 . . . . 10.0 111.652 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 424' ' ' GLN . . . . . 0.489 ' HG3' ' O ' ' D' ' 420' ' ' GLY . 68.0 mt-30 -64.59 -53.81 41.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.877 0.37 . . . . 10.0 110.132 179.327 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 425' ' ' GLU . . . . . 0.542 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 10.2 pt-20 -70.2 -30.09 67.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.31 -0.405 . . . . 10.0 110.614 179.502 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 426' ' ' PHE . . . . . 0.495 ' O ' ' HG ' ' D' ' 430' ' ' LEU . 17.6 t80 -67.87 -41.18 83.24 Favored 'General case' 0 C--O 1.221 -0.412 0 N-CA-C 109.191 -0.67 . . . . 10.0 109.191 178.347 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 2.6 m0 -64.57 -42.96 95.32 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.086 -0.709 . . . . 10.0 109.086 178.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 428' ' ' ASP . . . . . 0.465 ' O ' ' HG3' ' D' ' 432' ' ' LYS . 29.0 t70 -64.71 -36.15 83.36 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.062 -0.718 . . . . 10.0 109.062 178.291 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -65.98 -42.53 89.71 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.642 -0.874 . . . . 10.0 108.642 177.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 430' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' D' ' 426' ' ' PHE . 85.6 mt -60.18 -37.96 81.78 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-N 115.486 -0.779 . . . . 10.0 108.951 178.143 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -62.46 -40.62 97.22 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 115.69 -0.687 . . . . 10.0 109.42 178.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 432' ' ' LYS . . . . . 0.465 ' HG3' ' O ' ' D' ' 428' ' ' ASP . 54.7 mttp -65.94 -38.38 88.49 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.695 -0.854 . . . . 10.0 108.695 178.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -67.51 -52.76 35.21 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.702 -0.681 . . . . 10.0 111.209 179.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 7.2 p -59.94 -49.92 75.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.593 0.235 . . . . 10.0 111.068 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -64.94 -37.52 87.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.781 0.324 . . . . 10.0 110.975 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -66.61 -47.14 70.65 Favored Glycine 0 C--O 1.227 -0.303 0 N-CA-C 110.889 -0.884 . . . . 10.0 110.889 178.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 90.8 mt -64.65 -35.47 81.14 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 109.95 -0.389 . . . . 10.0 109.95 179.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 438' ' ' ARG . . . . . 0.567 ' HA ' ' HB2' ' D' ' 441' ' ' MET . 78.3 mtt180 -64.6 -30.74 71.77 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.193 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -64.41 -41.23 96.74 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.601 -0.518 . . . . 10.0 109.601 179.031 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -77.74 -37.13 49.95 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.119 -0.697 . . . . 10.0 109.119 178.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 441' ' ' MET . . . . . 0.567 ' HB2' ' HA ' ' D' ' 438' ' ' ARG . 57.9 mmm -61.5 -46.02 91.77 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 115.511 -0.768 . . . . 10.0 112.333 -179.506 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 2.3 p -57.98 -46.62 84.87 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-O 121.072 0.463 . . . . 10.0 110.307 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -66.67 -44.22 82.41 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.668 -0.696 . . . . 10.0 110.203 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 444' ' ' ASP . . . . . 0.574 ' O ' ' HB ' ' D' ' 448' ' ' VAL . 2.4 t70 -61.4 -44.9 96.35 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.819 -179.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 445' ' ' LEU . . . . . 0.578 ' O ' HG12 ' D' ' 448' ' ' VAL . 56.1 mt -67.08 -43.07 83.55 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.199 0.444 . . . . 10.0 112.199 -179.507 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -71.82 -45.95 59.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.025 0.441 . . . . 10.0 111.251 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 447' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.73 -28.19 67.44 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.991 -0.55 . . . . 10.0 111.614 -179.6 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 448' ' ' VAL . . . . . 0.578 HG12 ' O ' ' D' ' 445' ' ' LEU . 0.5 OUTLIER -65.09 -28.17 44.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 C-N-CA 120.976 -0.29 . . . . 10.0 110.71 179.355 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -67.19 -33.67 75.89 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.006 -0.738 . . . . 10.0 109.006 178.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -87.5 8.26 25.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.237 -0.892 . . . . 10.0 110.333 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 35.6 mmtm -118.56 -52.24 2.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.821 178.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 452' ' ' VAL . . . . . 0.53 HG23 HG22 ' D' ' 448' ' ' VAL . 78.5 t -60.45 -43.87 95.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.917 -0.583 . . . . 10.0 111.13 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -55.31 -61.53 5.88 Favored Pre-proline 0 CA--C 1.54 0.561 0 N-CA-C 112.153 0.427 . . . . 10.0 112.153 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 454' ' ' PRO . . . . . 0.427 ' HA ' ' HB3' ' D' ' 457' ' ' ASP . 36.7 Cg_endo -67.44 -30.34 36.33 Favored 'Trans proline' 0 C--N 1.355 0.918 0 C-N-CA 122.145 1.897 . . . . 10.0 112.758 179.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 455' ' ' TYR . . . . . 0.44 ' O ' ' HB2' ' D' ' 459' ' ' PHE . 12.1 t80 -67.02 -49.83 64.01 Favored 'General case' 0 CA--C 1.521 -0.143 0 N-CA-C 109.761 -0.459 . . . . 10.0 109.761 179.311 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 21.6 mt -66.96 -33.83 76.43 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.542 -0.54 . . . . 10.0 109.542 178.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 457' ' ' ASP . . . . . 0.427 ' HB3' ' HA ' ' D' ' 454' ' ' PRO . 11.9 t70 -62.03 -55.32 30.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.767 -0.651 . . . . 10.0 110.009 178.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -64.25 -35.57 81.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.475 179.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 459' ' ' PHE . . . . . 0.44 ' HB2' ' O ' ' D' ' 455' ' ' TYR . 0.2 OUTLIER -64.56 -47.86 77.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.07 -0.513 . . . . 10.0 109.95 178.842 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -61.99 -37.67 85.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.092 -0.504 . . . . 10.0 110.1 179.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -62.73 -42.68 99.78 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.995 -0.548 . . . . 10.0 109.546 178.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.86 -33.92 74.6 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.663 -0.699 . . . . 10.0 109.52 178.473 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 38.9 m0 -66.26 -42.18 88.88 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 109.301 -0.629 . . . . 10.0 109.301 178.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -63.03 -47.5 82.74 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 108.975 -0.75 . . . . 10.0 108.975 178.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 465' ' ' GLU . . . . . 0.471 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 40.2 mt-10 -54.88 -52.17 63.67 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.617 -0.719 . . . . 10.0 109.74 178.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 466' ' ' GLU . . . . . 0.45 ' HG3' ' CE2' ' D' ' 470' ' ' TYR . 4.3 tp10 -62.79 -41.54 99.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.431 -0.804 . . . . 10.0 111.231 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 45.1 ttm -61.31 -44.59 96.96 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.817 0.341 . . . . 10.0 110.439 179.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -65.81 -39.13 90.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.951 -0.568 . . . . 10.0 109.614 178.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 469' ' ' LEU . . . . . 0.521 HD21 ' HG3' ' A' ' 308' ' ' ARG . 84.7 mt -64.11 -41.66 97.18 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.661 -0.7 . . . . 10.0 109.469 178.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 470' ' ' TYR . . . . . 0.45 ' CE2' ' HG3' ' D' ' 466' ' ' GLU . 11.6 m-30 -68.16 -29.35 68.21 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 110.042 -0.355 . . . . 10.0 110.042 178.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -72.61 -16.97 61.72 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.466 -0.568 . . . . 10.0 109.466 177.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -112.82 6.01 17.78 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.027 179.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 473' ' ' LYS . . . . . 0.623 ' HE3' ' HB3' ' A' ' 301' ' ' LEU . 47.7 mttp -125.04 -65.78 1.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.78 -0.646 . . . . 10.0 110.436 179.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 60.8 t -63.25 -40.76 90.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.028 -0.533 . . . . 10.0 111.091 -179.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -57.91 -59.89 11.73 Favored Pre-proline 0 CA--C 1.531 0.247 0 N-CA-C 112.249 0.462 . . . . 10.0 112.249 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -63.15 -36.5 57.8 Favored 'Trans proline' 0 C--N 1.354 0.86 0 C-N-CA 121.574 1.516 . . . . 10.0 110.824 178.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 11.1 mt -60.97 -37.68 83.26 Favored 'General case' 0 C--O 1.223 -0.306 0 N-CA-C 109.617 -0.512 . . . . 10.0 109.617 178.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 24.3 mtt180 -60.09 -36.02 76.47 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 109.418 -0.586 . . . . 10.0 109.418 178.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -73.53 -43.27 60.39 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.661 -0.7 . . . . 10.0 110.18 179.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.74 -43.33 96.79 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.642 -0.503 . . . . 10.0 109.642 178.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 66.2 mt -68.94 -30.95 69.5 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-N 115.948 -0.569 . . . . 10.0 109.765 178.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -64.4 -49.47 71.43 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.125 -0.694 . . . . 10.0 109.125 178.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -66.1 -41.44 90.59 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.944 -0.571 . . . . 10.0 109.53 178.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -62.2 -43.48 99.05 Favored Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 111.512 -0.635 . . . . 10.0 111.512 179.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -68.08 -39.54 82.9 Favored 'General case' 0 CA--C 1.517 -0.312 0 N-CA-C 109.907 -0.405 . . . . 10.0 109.907 179.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 -64.6 -42.82 95.32 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 109.641 -0.503 . . . . 10.0 109.641 178.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -65.52 -43.45 90.02 Favored 'General case' 0 C--O 1.221 -0.412 0 N-CA-C 109.235 -0.654 . . . . 10.0 109.235 178.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -63.29 -39.0 93.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.099 178.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 18.8 mt -62.48 -45.46 92.92 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.023 -0.732 . . . . 10.0 109.023 178.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 16.7 t-160 -62.27 -48.49 79.7 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.992 -0.744 . . . . 10.0 108.992 178.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -55.07 -47.12 75.31 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.297 179.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 492' ' ' LEU . . . . . 0.483 ' O ' ' HG ' ' D' ' 496' ' ' LEU . 12.9 mt -68.14 -40.94 82.31 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 116.08 -0.509 . . . . 10.0 111.513 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -63.58 -31.62 72.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.815 0.341 . . . . 10.0 111.334 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -76.48 1.86 15.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.246 0.546 . . . . 10.0 110.307 178.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 495' ' ' LYS . . . . . 0.628 ' HE3' HD22 ' A' ' 279' ' ' LEU . 27.5 mttp -120.55 -38.34 2.89 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.547 -0.751 . . . . 10.0 109.54 178.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 496' ' ' LEU . . . . . 0.539 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 96.1 mt -62.84 -22.87 66.98 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 115.963 -0.562 . . . . 10.0 111.433 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 497' ' ' SER . . . . . 0.465 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 19.8 m -83.17 -63.22 0.26 Allowed Pre-proline 0 CA--C 1.541 0.6 0 CA-C-N 116.62 -0.264 . . . . 10.0 111.467 178.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 498' ' ' PRO . . . . . 0.465 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 31.8 Cg_endo -63.38 -48.75 5.47 Favored 'Trans proline' 0 C--N 1.357 0.976 0 C-N-CA 122.092 1.861 . . . . 10.0 111.971 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 499' ' ' LEU . . . . . 0.453 ' HB2' ' O ' ' D' ' 495' ' ' LYS . 46.1 mt -76.22 -29.36 57.55 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 116.714 -0.221 . . . . 10.0 110.765 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 500' ' ' GLY . . . . . 0.539 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -64.49 -50.11 61.17 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.577 -0.82 . . . . 10.0 111.113 179.558 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -70.68 -31.23 68.05 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 178.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 502' ' ' GLU . . . . . 0.469 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 33.9 tt0 -65.62 -47.39 75.8 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.627 -0.715 . . . . 10.0 109.895 178.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 503' ' ' MET . . . . . 0.411 ' HA ' ' HD2' ' D' ' 506' ' ' ARG . 79.6 mmm -60.25 -37.64 81.02 Favored 'General case' 0 CA--C 1.52 -0.2 0 N-CA-C 109.575 -0.528 . . . . 10.0 109.575 178.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -68.29 -40.35 81.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.615 178.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 505' ' ' ASP . . . . . 0.935 ' HA ' ' HD2' ' D' ' 508' ' ' ARG . 6.8 t70 -66.58 -36.39 82.51 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.73 -0.47 . . . . 10.0 109.73 178.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 506' ' ' ARG . . . . . 0.469 ' HG3' ' O ' ' D' ' 502' ' ' GLU . 63.6 mtt180 -63.86 -48.33 77.17 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 107.333 -1.358 . . . . 10.0 107.333 177.13 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -58.57 -38.27 77.53 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 114.972 -1.013 . . . . 10.0 109.803 178.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 508' ' ' ARG . . . . . 0.935 ' HD2' ' HA ' ' D' ' 505' ' ' ASP . 92.9 mtt180 -59.4 -46.58 88.3 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 109.246 -0.65 . . . . 10.0 109.246 178.347 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 509' ' ' ALA . . . . . 0.847 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -63.33 -38.21 90.26 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.455 -0.793 . . . . 10.0 111.191 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 510' ' ' HIS . . . . . 0.569 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 84.4 m-70 -72.31 -45.38 60.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.456 -0.338 . . . . 10.0 110.257 179.061 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 39.8 t -63.07 -42.06 95.19 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.084 179.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 512' ' ' ASP . . . . . 0.546 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 17.8 t70 -66.88 -35.35 79.82 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-N 116.075 -0.511 . . . . 10.0 109.909 179.341 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -62.55 -43.15 99.51 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.82 -0.807 . . . . 10.0 108.82 178.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 514' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' D' ' 510' ' ' HIS . 83.4 mt -61.25 -25.31 67.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.708 -0.678 . . . . 10.0 110.471 179.337 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 515' ' ' ARG . . . . . 0.546 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 78.0 mtt180 -68.57 -30.01 68.69 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.586 -0.524 . . . . 10.0 109.586 178.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.78 -17.02 17.89 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.403 179.368 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 33.8 m170 -97.18 -78.31 0.48 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.034 -0.53 . . . . 10.0 111.53 -179.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 39.2 mt -60.15 -45.29 93.56 Favored 'General case' 0 C--O 1.232 0.147 0 N-CA-C 113.586 0.958 . . . . 10.0 113.586 -178.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 519' ' ' ALA . . . . . 0.729 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -52.84 -61.6 4.52 Favored Pre-proline 0 CA--C 1.535 0.4 0 N-CA-C 112.893 0.701 . . . . 10.0 112.893 -178.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 520' ' ' PRO . . . . . 0.729 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 24.1 Cg_exo -65.6 -40.07 19.12 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 121.782 1.655 . . . . 10.0 111.515 179.044 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -59.05 -40.64 85.73 Favored 'General case' 0 C--O 1.226 -0.15 0 CA-C-N 116.501 -0.318 . . . . 10.0 111.694 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 522' ' ' SER . . . . . 0.439 ' O ' ' HG3' ' D' ' 526' ' ' ARG . 78.0 p -62.7 -36.01 81.55 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.919 -0.312 . . . . 10.0 110.875 179.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 523' ' ' ASP . . . . . 0.537 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 18.5 t70 -72.3 -39.81 67.98 Favored 'General case' 0 CA--C 1.52 -0.176 0 N-CA-C 109.879 -0.415 . . . . 10.0 109.879 178.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -65.62 -32.89 74.7 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 108.66 -0.867 . . . . 10.0 108.66 178.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 525' ' ' LEU . . . . . 0.533 HD23 ' HD2' ' D' ' 528' ' ' ARG . 0.6 OUTLIER -71.71 -31.35 66.64 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 114.983 -1.008 . . . . 10.0 109.039 177.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 526' ' ' ARG . . . . . 0.537 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 64.2 mtt180 -61.96 -34.66 76.54 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 116.125 -0.488 . . . . 10.0 109.744 178.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -64.27 -40.78 96.68 Favored 'General case' 0 C--N 1.333 -0.109 0 N-CA-C 109.004 -0.739 . . . . 10.0 109.004 178.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 528' ' ' ARG . . . . . 0.55 ' HD3' ' HB2' ' A' ' 246' ' ' ASP . 67.3 mtt180 -68.61 -42.95 77.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.248 -0.887 . . . . 10.0 108.93 178.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 96.5 mt -62.57 -40.06 95.65 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-N 115.712 -0.676 . . . . 10.0 109.898 178.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -62.99 -44.46 95.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.887 -0.597 . . . . 10.0 109.812 178.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -63.53 -42.31 98.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.025 -0.534 . . . . 10.0 109.668 178.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 18.0 ttm180 -65.47 -42.89 91.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.747 -0.66 . . . . 10.0 110.038 179.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 58.9 mt -66.93 -36.39 82.15 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.696 -0.483 . . . . 10.0 109.696 179.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -61.94 -47.34 85.31 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.633 -0.877 . . . . 10.0 108.633 178.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -63.72 -40.85 97.76 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.462 -0.79 . . . . 10.0 109.278 178.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 13.3 mt -60.67 -35.6 76.64 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.804 -0.635 . . . . 10.0 111.056 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -78.03 -43.17 30.16 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.957 0.408 . . . . 10.0 110.968 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -65.36 -50.32 66.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.537 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -73.23 -36.65 66.48 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.734 -0.469 . . . . 10.0 109.734 179.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -63.8 -43.9 97.01 Favored Glycine 0 N--CA 1.445 -0.715 0 CA-C-N 115.586 -0.734 . . . . 10.0 111.546 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -61.04 -39.19 96.73 Favored Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 110.594 -1.003 . . . . 10.0 110.594 178.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -67.5 -42.69 82.46 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 109.241 -0.651 . . . . 10.0 109.241 178.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 543' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' D' ' 543' ' ' ARG . 49.2 mtt180 -62.79 -41.84 99.45 Favored 'General case' 0 C--O 1.222 -0.381 0 CA-C-N 115.762 -0.654 . . . . 10.0 109.859 178.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 72.1 mt -59.74 -41.66 91.41 Favored 'General case' 0 CA--C 1.519 -0.227 0 N-CA-C 109.756 -0.461 . . . . 10.0 109.756 178.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -62.99 -47.0 85.01 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.771 -0.65 . . . . 10.0 109.345 178.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -61.88 -45.19 94.83 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.794 178.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -61.39 -43.7 98.41 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.41 -0.359 . . . . 10.0 110.735 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -66.4 -39.44 89.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.09 179.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -66.61 -45.06 80.37 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.611 -0.515 . . . . 10.0 109.611 179.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.79 -25.79 63.96 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.967 -0.561 . . . . 10.0 110.52 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -65.62 -42.45 91.55 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.759 -0.46 . . . . 10.0 109.759 178.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -65.45 -42.74 92.05 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 108.991 -0.744 . . . . 10.0 108.991 178.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -65.43 -43.0 91.86 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.859 -0.61 . . . . 10.0 109.974 179.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 27.2 t60 -60.19 -45.61 92.55 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 108.836 -0.802 . . . . 10.0 108.836 178.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 26.3 tp -64.29 -38.69 91.93 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 115.81 -0.632 . . . . 10.0 109.923 178.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 54.6 m -60.29 -44.38 95.43 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.414 179.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.09 -33.53 70.28 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.921 0.391 . . . . 10.0 110.712 178.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 48.5 mt -64.15 -51.64 62.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.118 -0.492 . . . . 10.0 109.976 179.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 4.9 m -66.3 -36.34 82.69 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 109.621 -0.511 . . . . 10.0 109.621 179.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -59.4 -35.14 73.39 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-N 115.586 -0.734 . . . . 10.0 110.23 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.21 -40.27 12.98 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.902 -0.59 . . . . 10.0 111.234 179.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -52.77 -44.51 66.59 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.57 0.582 . . . . 10.0 112.57 -179.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 563' ' ' LYS . . . . . 0.499 ' HB2' ' HD3' ' D' ' 564' ' ' PRO . 94.8 mttt -55.34 -63.59 2.92 Favored Pre-proline 0 CA--C 1.537 0.453 0 N-CA-C 112.813 0.672 . . . . 10.0 112.813 -179.447 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 564' ' ' PRO . . . . . 0.499 ' HD3' ' HB2' ' D' ' 563' ' ' LYS . 53.8 Cg_endo -69.65 -34.46 14.9 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 122.055 1.836 . . . . 10.0 112.969 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -63.88 -55.13 25.07 Favored 'General case' 0 CA--C 1.522 -0.11 0 C-N-CA 121.209 -0.196 . . . . 10.0 111.147 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 46.4 mt -59.06 -41.35 87.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.657 0.265 . . . . 10.0 110.794 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -64.69 -48.22 75.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.265 -0.425 . . . . 10.0 111.204 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.5 -37.87 89.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.727 0.299 . . . . 10.0 110.486 179.546 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 59.5 mt -62.87 -43.37 98.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.052 -0.522 . . . . 10.0 109.616 178.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 570' ' ' ARG . . . . . 0.456 ' O ' ' HG ' ' D' ' 574' ' ' LEU . 64.1 mtt180 -66.88 -49.62 65.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.22 -0.445 . . . . 10.0 110.522 178.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -62.93 -21.45 66.07 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.776 -0.647 . . . . 10.0 111.488 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -92.12 -43.44 4.38 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.68 -0.772 . . . . 10.0 111.199 178.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 21.4 mt -65.06 -37.38 87.38 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.276 0.472 . . . . 10.0 112.276 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 574' ' ' LEU . . . . . 0.514 ' O ' ' HG2' ' D' ' 578' ' ' GLU . 56.1 mt -51.62 -62.57 2.85 Favored Pre-proline 0 CA--C 1.535 0.386 0 N-CA-C 112.907 0.706 . . . . 10.0 112.907 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.51 -34.48 33.44 Favored 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 121.706 1.604 . . . . 10.0 111.909 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 24.9 t -64.77 -45.51 94.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.603 0.239 . . . . 10.0 110.656 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 63.1 mt -65.62 -40.92 93.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.494 -0.321 . . . . 10.0 110.584 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 578' ' ' GLU . . . . . 0.518 ' O ' HG23 ' D' ' 582' ' ' VAL . 23.4 mm-40 -61.79 -41.27 97.53 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.967 -0.382 . . . . 10.0 109.967 178.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 16.6 m -68.14 -38.55 82.3 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.892 -0.595 . . . . 10.0 109.707 178.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -60.87 -42.39 97.81 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.033 -0.531 . . . . 10.0 109.833 178.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -59.06 -37.38 76.91 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.231 178.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 582' ' ' VAL . . . . . 0.518 HG23 ' O ' ' D' ' 578' ' ' GLU . 52.3 t -64.42 -47.4 89.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 109.544 -0.539 . . . . 10.0 109.544 178.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 10.7 p -66.66 -30.82 71.17 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.987 179.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -70.74 -44.56 66.54 Favored 'General case' 0 CA--C 1.521 -0.146 0 N-CA-C 109.66 -0.496 . . . . 10.0 109.66 178.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 73.8 mt -59.04 -47.89 83.57 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.629 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 1.3 p -65.43 -33.59 76.3 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.542 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 587' ' ' ALA . . . . . 0.712 ' HA ' ' HE2' ' A' ' 396' ' ' LYS . . . -68.14 -47.75 67.24 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.679 -0.489 . . . . 10.0 109.679 178.763 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 99.2 mt -58.93 -47.59 84.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.859 -0.61 . . . . 10.0 110.589 179.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 589' ' ' GLU . . . . . 0.525 ' O ' ' HG3' ' D' ' 593' ' ' LYS . 3.9 mt-10 -56.89 -47.58 80.19 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.414 -0.357 . . . . 10.0 110.569 179.184 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 590' ' ' GLU . . . . . 0.494 ' HG3' ' NZ ' ' A' ' 396' ' ' LYS . 7.3 mm-40 -63.38 -46.14 87.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.92 -0.582 . . . . 10.0 111.161 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -60.62 -38.31 84.34 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.323 -0.399 . . . . 10.0 110.97 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 28.7 m -63.94 -31.02 72.06 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.704 179.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 593' ' ' LYS . . . . . 0.525 ' HG3' ' O ' ' D' ' 589' ' ' GLU . 87.2 mttt -76.67 -47.46 22.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.559 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 594' ' ' LYS . . . . . 0.589 ' HE2' ' HB2' ' A' ' 388' ' ' SER . 5.2 mptt -70.34 -33.5 71.56 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.887 -0.597 . . . . 10.0 111.962 -179.032 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 94.6 mt -103.73 39.74 1.56 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.038 0.447 . . . . 10.0 110.77 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 . . . . . 0 C--N 1.321 -0.638 0 CA-C-N 116.399 -0.364 . . . . 10.0 111.064 179.785 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 2.5 m . . . . . 0 N--CA 1.456 -0.175 0 CA-C-O 120.761 0.315 . . . . 10.0 110.344 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' THR . . . . . 0.589 ' HB ' ' CE2' ' B' ' 4' ' ' TYR . 0.2 OUTLIER -104.97 143.64 32.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.277 -0.42 . . . . 10.0 110.379 179.62 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -101.6 134.05 45.33 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.554 -0.294 . . . . 10.0 110.519 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' TYR . . . . . 0.589 ' CE2' ' HB ' ' B' ' 2' ' ' THR . 99.1 m-85 -133.11 129.75 38.35 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.376 -0.375 . . . . 10.0 110.992 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 54.7 mttm -97.57 108.02 20.64 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.412 -0.358 . . . . 10.0 110.177 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 62.0 mt -107.85 133.9 51.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.262 -0.427 . . . . 10.0 110.899 -178.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . 0.506 HG11 ' HD2' ' B' ' 71' ' ' TYR . 65.4 t -121.13 122.49 67.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.094 0.473 . . . . 10.0 110.802 179.283 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.423 HG12 ' HE2' ' B' ' 16' ' ' LYS . 41.5 t -89.85 109.57 20.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 109.395 -0.594 . . . . 10.0 109.395 179.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 4.7 m -109.18 169.1 3.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.091 -0.504 . . . . 10.0 111.258 -179.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 138.08 -176.57 20.63 Favored Glycine 0 N--CA 1.444 -0.816 0 N-CA-C 110.941 -0.864 . . . . 10.0 110.941 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.45 168.26 17.63 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.754 0.277 . . . . 10.0 110.681 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -80.18 152.59 29.1 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.036 0.446 . . . . 10.0 111.333 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 75.86 11.65 84.48 Favored Glycine 0 CA--C 1.519 0.341 0 CA-C-N 115.729 -0.669 . . . . 10.0 113.805 179.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.458 ' HA ' ' HB2' ' B' ' 83' ' ' ALA . 33.3 m -84.33 -17.09 10.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 117.228 0.514 . . . . 10.0 111.731 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 97.83 21.51 18.46 Favored Glycine 0 N--CA 1.448 -0.528 0 CA-C-N 115.936 -0.575 . . . . 10.0 111.802 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . 0.423 ' HE2' HG12 ' B' ' 8' ' ' VAL . 10.6 ptmm? -66.23 -38.64 88.41 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.728 -0.236 . . . . 10.0 111.197 -179.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.18 -38.95 75.48 Favored 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 109.236 -0.653 . . . . 10.0 109.236 179.493 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.47 -45.09 94.97 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.381 -0.827 . . . . 10.0 109.896 179.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 36.4 mt -60.03 -43.97 94.95 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.17 179.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . 0.415 ' O ' HG12 ' B' ' 24' ' ' ILE . 21.8 m -63.9 -51.15 65.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.841 179.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 85.4 mt -62.22 -33.5 59.1 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-N 116.484 -0.325 . . . . 10.0 111.535 -179.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' GLN . . . . . 0.587 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 2.1 mm-40 -63.39 -30.52 71.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.475 -0.33 . . . . 10.0 111.758 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 6.2 tp -92.69 -39.19 11.41 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.121 0.486 . . . . 10.0 111.195 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.621 HD11 HD13 ' B' ' 55' ' ' ILE . 49.3 mm -70.88 -51.61 34.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.95 -0.568 . . . . 10.0 112.385 -179.039 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -105.4 -9.53 17.5 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.862 0.69 . . . . 10.0 112.862 -178.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . 0.587 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 2.2 m-80 68.93 33.81 3.4 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 113.354 0.872 . . . . 10.0 113.354 178.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 16.8 p80 -145.89 155.07 42.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.625 0.25 . . . . 10.0 111.158 178.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -105.12 135.95 45.52 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.055 0.455 . . . . 10.0 111.831 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 1.6 m -101.22 114.89 41.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.828 -0.624 . . . . 10.0 110.241 178.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -76.0 -30.56 58.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.993 -179.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -78.51 155.68 29.66 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.374 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -88.82 133.59 34.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.474 -0.33 . . . . 10.0 110.372 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -126.5 109.88 23.24 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-O 120.636 0.255 . . . . 10.0 111.528 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo -66.94 118.73 5.79 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.881 2.387 . . . . 10.0 111.262 179.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 88.9 m -94.05 142.28 27.57 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.897 -0.592 . . . . 10.0 111.765 -178.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 48.1 mm -105.84 -45.29 8.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 107.915 -1.143 . . . . 10.0 107.915 178.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -178.33 99.17 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 114.719 -1.128 . . . . 10.0 108.438 179.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -112.73 128.04 56.3 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 111.983 0.364 . . . . 10.0 111.983 -178.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -125.5 116.62 22.08 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.144 178.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -119.51 147.15 44.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.421 -0.354 . . . . 10.0 111.464 -179.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 2.3 mpp_? -109.5 135.02 51.19 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.731 0.3 . . . . 10.0 111.048 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 37.5 tptt -139.05 118.94 13.25 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.338 179.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . 0.429 ' HA ' ' O ' ' B' ' 51' ' ' CYS . 9.0 tt0 -108.26 113.94 27.43 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.883 0.373 . . . . 10.0 110.588 178.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 3.9 m -135.43 176.52 8.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.766 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 22.0 t -101.49 95.43 3.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.24 -0.436 . . . . 10.0 109.839 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . 0.417 HD11 HD11 ' B' ' 53' ' ' LEU . 46.6 mt -97.23 116.39 39.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.876 -179.29 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . 0.59 ' HA ' ' HB3' ' C' ' 128' ' ' LYS . 3.8 m-20 62.74 15.86 8.49 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.176 -0.92 . . . . 10.0 111.928 179.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.16 -7.85 54.96 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.641 -0.79 . . . . 10.0 111.863 -179.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -106.17 121.84 44.98 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.708 0.289 . . . . 10.0 110.503 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.51 122.12 17.31 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.959 -0.756 . . . . 10.0 108.959 178.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' CYS . . . . . 0.429 ' O ' ' HA ' ' B' ' 43' ' ' GLN . 11.6 m -126.94 136.36 52.17 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.34 0.496 . . . . 10.0 112.34 -178.247 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 55.2 tp -98.46 101.87 13.44 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 107.751 -1.203 . . . . 10.0 107.751 177.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . 0.417 HD11 HD11 ' B' ' 46' ' ' ILE . 29.4 mt -92.31 126.83 37.56 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 112.799 0.666 . . . . 10.0 112.799 -177.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -105.49 99.41 9.02 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 107.18 -1.415 . . . . 10.0 107.18 176.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' ILE . . . . . 0.682 HG12 ' HE1' ' B' ' 156' ' ' PHE . 4.2 mp -90.58 119.96 38.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.977 -0.556 . . . . 10.0 111.537 -178.032 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 52.8 tp -108.44 117.21 33.56 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.623 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -103.64 112.14 24.93 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.028 -0.533 . . . . 10.0 111.418 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . 0.494 HG21 ' CE1' ' B' ' 71' ' ' TYR . 0.7 OUTLIER -111.99 139.24 47.66 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.809 -0.812 . . . . 10.0 108.809 178.125 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' ALA . . . . . 0.4 ' HB1' ' HG3' ' B' ' 61' ' ' GLN . . . -76.15 135.32 39.8 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.077 0.465 . . . . 10.0 111.595 -178.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -94.24 56.09 2.09 Favored Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 110.857 -0.897 . . . . 10.0 110.857 179.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . 0.4 ' HG3' ' HB1' ' B' ' 59' ' ' ALA . 33.4 mt-30 -96.0 16.19 18.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.753 -0.223 . . . . 10.0 111.501 -178.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.403 ' HG3' ' H ' ' B' ' 63' ' ' GLU . 2.7 tp10 64.34 -175.27 0.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.88 -0.6 . . . . 10.0 111.331 179.547 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . 0.403 ' H ' ' HG3' ' B' ' 62' ' ' GLU . 0.8 OUTLIER 71.35 -9.05 0.94 Allowed 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.84 0.681 . . . . 10.0 112.84 179.853 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' TYR . . . . . 0.665 ' HB3' ' HB3' ' B' ' 67' ' ' MET . 13.8 m-85 -95.04 45.8 1.11 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.858 0.361 . . . . 10.0 111.099 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.89 -36.37 81.09 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.041 -0.527 . . . . 10.0 111.644 -179.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.33 -32.45 18.41 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 121.077 -0.249 . . . . 10.0 111.322 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . 0.665 ' HB3' ' HB3' ' B' ' 64' ' ' TYR . 27.6 ttt -71.53 -33.78 69.47 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.21 -0.45 . . . . 10.0 111.478 -179.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' ARG . . . . . 0.498 ' HA ' ' CE1' ' B' ' 71' ' ' TYR . 1.0 OUTLIER -59.05 -39.05 80.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.788 179.841 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.73 -25.13 67.8 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.371 -0.831 . . . . 10.0 111.777 -179.116 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -69.71 -71.13 0.24 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.983 0.734 . . . . 10.0 112.983 -178.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' TYR . . . . . 0.506 ' HD2' HG11 ' B' ' 7' ' ' VAL . 51.8 p90 -62.67 -28.73 70.13 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 113.922 1.082 . . . . 10.0 113.922 -177.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 49.8 mtt -69.61 -25.76 64.11 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.006 0.431 . . . . 10.0 111.795 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 16.1 ttm180 -74.68 -37.71 62.6 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.748 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.07 -32.47 22.82 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.205 0.446 . . . . 10.0 112.205 -179.253 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.71 136.0 49.15 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 121.221 -0.514 . . . . 10.0 113.342 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -96.34 -50.46 4.77 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.25 -0.648 . . . . 10.0 109.25 179.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -112.05 136.5 13.57 Favored Glycine 0 N--CA 1.446 -0.648 0 N-CA-C 110.927 -0.869 . . . . 10.0 110.927 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . 0.781 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 96.7 m-85 -116.56 130.95 57.04 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.278 0.561 . . . . 10.0 112.125 -178.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 12.5 tp -106.36 100.36 9.9 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.459 -0.791 . . . . 10.0 109.254 179.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 3.7 m -80.35 93.17 5.9 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.253 -0.431 . . . . 10.0 110.641 -179.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 52.5 t -95.45 126.72 47.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.008 -0.542 . . . . 10.0 111.512 -178.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 82' ' ' PHE . . . . . 0.707 ' HB2' ' HB2' ' B' ' 89' ' ' SER . 24.3 p90 -137.12 149.03 47.06 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.676 -0.693 . . . . 10.0 109.827 179.356 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.458 ' HB2' ' HA ' ' B' ' 14' ' ' VAL . . . -88.27 126.24 35.07 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.02 -0.733 . . . . 10.0 109.02 179.336 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . 0.909 HD12 ' HD3' ' B' ' 123' ' ' ARG . 20.0 pt -71.09 -6.35 7.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 112.546 0.572 . . . . 10.0 112.546 -179.068 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . 0.449 ' OD1' ' HD2' ' B' ' 117' ' ' LYS . 4.2 p-10 -97.65 2.77 50.19 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.163 0.506 . . . . 10.0 110.112 178.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.433 ' HB3' ' OG ' ' B' ' 89' ' ' SER . 38.9 t-20 -135.54 107.53 7.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.681 -0.69 . . . . 10.0 110.019 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -61.07 -33.01 72.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.882 -0.599 . . . . 10.0 112.067 -179.506 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -56.89 -43.76 81.65 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.969 0.359 . . . . 10.0 111.969 -179.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . 0.707 ' HB2' ' HB2' ' B' ' 82' ' ' PHE . 0.0 OUTLIER -62.89 -34.31 77.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.864 0.364 . . . . 10.0 110.829 179.58 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -72.31 -41.52 66.49 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.514 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -67.4 -33.84 76.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.014 -0.539 . . . . 10.0 110.742 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.74 -16.49 63.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.836 -0.62 . . . . 10.0 112.118 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 93' ' ' ILE . . . . . 0.472 HD11 ' HB3' ' B' ' 82' ' ' PHE . 34.1 mm -59.5 -43.31 90.42 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-O 120.807 0.337 . . . . 10.0 110.971 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 35.2 t60 -68.9 -35.52 76.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.444 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -65.67 -47.45 75.46 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.703 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 96' ' ' TYR . . . . . 0.413 ' O ' HG13 ' B' ' 100' ' ' ILE . 5.5 m-85 -64.58 -30.85 71.88 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.595 179.634 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 42.8 ttt-85 -63.78 -49.19 73.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.846 -0.615 . . . . 10.0 110.295 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -60.8 -37.4 81.82 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.892 -0.595 . . . . 10.0 110.26 179.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 99' ' ' GLN . . . . . 0.492 ' O ' HG23 ' B' ' 103' ' ' VAL . 36.4 tp60 -59.21 -55.11 39.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.44 -0.8 . . . . 10.0 110.273 179.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . 0.413 HG13 ' O ' ' B' ' 96' ' ' TYR . 56.4 mt -57.66 -41.06 78.49 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 CA-C-N 116.205 -0.452 . . . . 10.0 111.49 -179.451 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? -61.7 -31.47 71.61 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.992 -0.549 . . . . 10.0 112.231 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? -89.13 -35.37 16.31 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.719 0.295 . . . . 10.0 111.081 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 103' ' ' VAL . . . . . 0.492 HG23 ' O ' ' B' ' 99' ' ' GLN . 70.1 t -64.41 -49.01 82.77 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-N 116.434 -0.348 . . . . 10.0 111.717 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -90.1 -12.37 38.55 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.49 -0.323 . . . . 10.0 111.638 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 37.4 t70 58.82 56.27 4.19 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.786 0.803 . . . . 10.0 111.168 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 41.2 t -153.71 146.39 24.22 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.554 -0.748 . . . . 10.0 110.055 -179.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -96.59 -3.74 42.42 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.174 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -127.9 107.49 9.9 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.994 -0.548 . . . . 10.0 111.03 -179.688 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 66.2 t -142.56 131.75 11.93 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.162 -0.472 . . . . 10.0 109.75 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -59.85 106.78 0.35 Allowed 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.823 2.349 . . . . 10.0 111.639 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 111' ' ' MET . . . . . 0.781 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 58.5 mtm -136.65 141.27 43.18 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.065 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 79.4 t -124.27 133.78 68.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.103 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 17.8 tp -85.77 112.58 21.2 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.42 -0.585 . . . . 10.0 109.42 179.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 53.5 t -112.78 114.97 48.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 112.365 0.506 . . . . 10.0 112.365 -178.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -98.26 111.56 4.27 Favored Glycine 0 N--CA 1.448 -0.561 0 N-CA-C 110.084 -1.206 . . . . 10.0 110.084 178.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -97.07 166.03 11.78 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.842 0.321 . . . . 10.0 111.685 -178.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . 0.449 ' HD2' ' OD1' ' B' ' 85' ' ' ASN . 89.8 mttt 71.52 42.45 0.67 Allowed 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.568 -0.742 . . . . 10.0 112.79 179.077 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 118' ' ' CYS . . . . . 0.863 ' HA ' HD11 ' B' ' 84' ' ' ILE . 65.5 m -75.61 -15.63 60.32 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.991 -0.55 . . . . 10.0 110.475 179.459 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -72.61 -33.65 66.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.088 178.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 75.7 mt -73.04 116.23 48.49 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.375 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -72.7 175.15 10.67 Favored 'Trans proline' 0 C--O 1.235 0.356 0 C-N-CA 122.694 2.263 . . . . 10.0 112.19 -179.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 5.5 m 60.5 39.94 17.61 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.958 -0.564 . . . . 10.0 110.817 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 123' ' ' ARG . . . . . 0.909 ' HD3' HD12 ' B' ' 84' ' ' ILE . 10.2 ptt180 -65.61 138.19 57.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.616 -0.72 . . . . 10.0 111.937 -179.572 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.71 -37.62 35.25 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.935 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 57.5 t -90.38 113.59 26.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.131 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 126' ' ' ASP . . . . . 0.47 ' OD1' ' HG2' ' B' ' 128' ' ' LYS . 1.0 OUTLIER -74.18 147.32 42.68 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.607 -179.689 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 3.9 m -62.5 -45.84 91.18 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.255 -0.429 . . . . 10.0 112.109 -178.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 128' ' ' LYS . . . . . 0.47 ' HG2' ' OD1' ' B' ' 126' ' ' ASP . 18.5 pttm -63.58 -39.36 94.19 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.732 0.641 . . . . 10.0 112.732 -178.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -68.93 -28.5 66.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.801 0.334 . . . . 10.0 111.433 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -82.15 -39.05 23.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.956 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -69.91 -43.34 71.89 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.056 -0.52 . . . . 10.0 111.89 -179.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -63.92 -31.12 72.2 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.238 0.542 . . . . 10.0 110.592 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 14.1 tp -66.87 -42.59 85.37 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.801 -0.636 . . . . 10.0 109.356 178.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.38 -33.5 75.86 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.485 -0.78 . . . . 10.0 109.729 179.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 2.7 ttp180 -61.43 -40.37 94.19 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.732 -0.667 . . . . 10.0 110.026 178.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 32.6 t -70.63 -34.89 72.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.295 179.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 21.7 m-30 -72.12 -38.16 69.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.979 -0.555 . . . . 10.0 111.124 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 100.74 28.76 6.85 Favored Glycine 0 N--CA 1.449 -0.463 0 N-CA-C 111.104 -0.798 . . . . 10.0 111.104 -179.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 32.2 pt -129.27 163.9 43.05 Favored Pre-proline 0 C--O 1.234 0.271 0 CA-C-N 115.502 -0.349 . . . . 10.0 110.172 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -91.46 144.21 3.15 Favored 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 122.469 2.113 . . . . 10.0 112.667 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -112.16 133.25 54.41 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.194 -0.669 . . . . 10.0 109.194 178.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 57.1 mt -130.87 136.58 57.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.697 0.284 . . . . 10.0 111.222 -179.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -86.49 127.24 34.85 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 108.648 -0.871 . . . . 10.0 108.648 178.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 72.1 p -134.22 167.08 21.34 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.653 0.739 . . . . 10.0 112.213 -178.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -163.19 109.85 1.17 Allowed 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.97 -1.013 . . . . 10.0 108.454 177.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -63.82 -35.9 82.14 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.021 -0.536 . . . . 10.0 111.137 -178.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -63.09 -32.7 74.14 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.272 -0.422 . . . . 10.0 111.792 -179.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 1.1 m -101.43 -6.16 24.37 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.966 0.358 . . . . 10.0 111.966 -179.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 149' ' ' ARG . . . . . 0.436 ' O ' ' HG3' ' B' ' 149' ' ' ARG . 12.8 tpt180 61.91 34.96 16.59 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 122.131 0.967 . . . . 10.0 110.171 -179.578 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -107.17 132.93 52.49 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.872 -0.604 . . . . 10.0 111.069 -179.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 79.16 -5.61 58.89 Favored Glycine 0 N--CA 1.452 -0.261 0 CA-C-N 115.955 -0.566 . . . . 10.0 113.721 178.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 152' ' ' VAL . . . . . 0.433 HG21 ' HD2' ' B' ' 149' ' ' ARG . 28.8 t -61.14 -55.75 22.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.903 0.382 . . . . 10.0 110.829 -179.217 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -64.15 -35.57 81.2 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.998 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -63.03 -53.26 56.59 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.995 -0.548 . . . . 10.0 111.514 -179.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -57.69 -46.79 83.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.943 -0.571 . . . . 10.0 112.036 -179.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 156' ' ' PHE . . . . . 0.682 ' HE1' HG12 ' B' ' 55' ' ' ILE . 28.0 m-85 -62.65 -47.9 81.68 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 112.198 0.444 . . . . 10.0 112.198 -179.276 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -63.69 -46.64 84.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.056 0.455 . . . . 10.0 111.113 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 158' ' ' THR . . . . . 0.595 ' HA ' ' HE ' ' B' ' 161' ' ' ARG . 91.1 m -59.63 -38.28 80.9 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 113.073 0.768 . . . . 10.0 113.073 -179.206 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 24.0 tp -60.93 -37.08 81.04 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.948 0.404 . . . . 10.0 110.913 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 49.0 t -69.26 -35.62 68.64 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 CA-C-N 115.898 -0.592 . . . . 10.0 109.837 179.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 161' ' ' ARG . . . . . 0.595 ' HE ' ' HA ' ' B' ' 158' ' ' THR . 0.9 OUTLIER -62.3 -40.23 95.61 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.903 -0.59 . . . . 10.0 110.509 179.183 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -67.08 -34.22 77.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.047 -0.524 . . . . 10.0 111.18 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 73.9 mt -64.68 -46.17 93.12 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.154 0 N-CA-C 109.692 -0.484 . . . . 10.0 109.692 179.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 49.9 mtt85 -64.55 -40.02 94.82 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.466 -0.568 . . . . 10.0 109.466 178.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt . . . . . 0 C--N 1.332 -0.174 0 CA-C-N 115.11 -0.95 . . . . 10.0 110.776 179.701 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 13.9 m . . . . . 0 CA--C 1.531 0.214 0 CA-C-O 120.635 0.255 . . . . 10.0 111.126 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 2.2 m -78.11 128.74 34.27 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 110.117 -0.327 . . . . 10.0 110.117 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 3' ' ' GLU . . . . . 0.444 ' HA ' ' HB3' ' C' ' 52' ' ' LEU . 25.9 tt0 -87.96 143.11 27.28 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.38 -0.373 . . . . 10.0 111.379 -179.117 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 4' ' ' TYR . . . . . 0.43 ' CD2' ' HB3' ' C' ' 51' ' ' CYS . 97.0 m-85 -137.09 106.68 6.15 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.514 -0.551 . . . . 10.0 109.514 179.446 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 5' ' ' LYS . . . . . 0.589 ' HA ' ' HB3' ' C' ' 54' ' ' ASP . 36.3 mtmm -88.46 113.22 23.82 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.887 0.375 . . . . 10.0 110.316 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . 0.606 HD12 HG12 ' C' ' 55' ' ' ILE . 0.0 OUTLIER -120.2 126.8 51.53 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.296 -0.411 . . . . 10.0 111.089 -177.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 97.9 t -107.19 124.43 63.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 109.649 -0.5 . . . . 10.0 109.649 179.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.448 HG12 ' HG3' ' C' ' 16' ' ' LYS . 2.9 t -89.32 118.76 35.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.172 0.51 . . . . 10.0 109.687 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 16.2 m -117.39 159.41 17.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.305 -0.407 . . . . 10.0 111.302 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.62 177.27 34.55 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 110.843 -0.903 . . . . 10.0 110.843 -179.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.01 -168.15 1.69 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.905 0.383 . . . . 10.0 111.492 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -81.4 132.81 35.34 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.256 0.55 . . . . 10.0 112.457 -179.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 65.13 35.24 91.49 Favored Glycine 0 CA--C 1.517 0.194 0 CA-C-N 115.446 -0.797 . . . . 10.0 114.657 178.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 29.6 m -93.2 -8.35 10.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 120.871 0.367 . . . . 10.0 111.686 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . 0.519 ' HA3' ' ND2' ' C' ' 116' ' ' ASN . . . 93.65 23.01 24.73 Favored Glycine 0 N--CA 1.452 -0.248 0 N-CA-C 110.929 -0.868 . . . . 10.0 110.929 -178.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . 0.448 ' HG3' HG12 ' C' ' 8' ' ' VAL . 35.5 ttmt -60.72 -36.83 79.84 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.073 -0.564 . . . . 10.0 110.897 -179.284 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 31.2 m -91.79 -33.02 15.15 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.211 -0.449 . . . . 10.0 111.364 -179.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.15 -46.68 85.26 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.639 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 19' ' ' LEU . . . . . 0.478 ' HG ' ' HB2' ' C' ' 146' ' ' ALA . 32.2 mt -65.04 -47.41 77.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.695 179.008 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 23.6 m -58.8 -45.33 90.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.991 -0.55 . . . . 10.0 111.979 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 91.9 mt -65.12 -32.21 57.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.818 0.342 . . . . 10.0 110.874 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 22' ' ' GLN . . . . . 0.658 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 10.1 mm-40 -68.52 -21.06 64.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.444 -0.344 . . . . 10.0 111.417 179.352 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 4.5 tp -92.72 -36.31 12.99 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.149 0.5 . . . . 10.0 110.417 179.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 24' ' ' ILE . . . . . 0.536 HD11 HD12 ' C' ' 55' ' ' ILE . 50.2 mm -82.58 -68.9 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.073 -0.512 . . . . 10.0 111.36 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 25' ' ' GLN . . . . . 0.417 ' HB3' ' CD2' ' C' ' 27' ' ' HIS . 83.1 mm-40 -78.18 -25.9 47.36 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.064 -0.516 . . . . 10.0 111.251 -179.551 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 26' ' ' ASN . . . . . 0.658 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 48.2 m-80 73.88 38.47 0.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.33 -0.85 . . . . 10.0 112.895 179.165 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 27' ' ' HIS . . . . . 0.417 ' CD2' ' HB3' ' C' ' 25' ' ' GLN . 23.9 p80 -148.07 154.25 39.97 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.123 -0.49 . . . . 10.0 110.306 178.521 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 28' ' ' PHE . . . . . 0.461 ' HB2' ' NE2' ' C' ' 22' ' ' GLN . 69.4 t80 -95.72 134.31 38.8 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.999 0.428 . . . . 10.0 111.609 -178.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 2.5 m -102.51 113.79 40.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.842 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -81.85 -18.61 43.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.109 0.48 . . . . 10.0 110.572 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -83.92 125.91 32.48 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.823 -0.626 . . . . 10.0 109.527 179.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -66.44 118.87 10.69 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.255 0.55 . . . . 10.0 111.419 -179.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -115.81 105.91 50.76 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.818 -0.628 . . . . 10.0 109.699 179.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -76.28 62.3 6.84 Favored 'Trans proline' 0 CA--C 1.532 0.398 0 C-N-CA 122.959 2.439 . . . . 10.0 112.446 -179.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.88 124.79 21.01 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.907 -0.588 . . . . 10.0 111.037 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . 0.707 ' HA ' ' HB2' ' C' ' 59' ' ' ALA . 38.1 mm -82.35 -53.05 12.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 123.455 0.472 . . . . 10.0 110.394 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -154.15 99.44 2.23 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.885 -0.598 . . . . 10.0 110.402 -179.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -118.77 141.15 48.89 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.444 -0.344 . . . . 10.0 110.658 -179.403 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.91 131.67 56.06 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.888 0.375 . . . . 10.0 110.986 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -129.5 138.87 51.62 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.316 -0.402 . . . . 10.0 111.119 -179.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . 0.522 ' HD2' ' OD2' ' C' ' 54' ' ' ASP . 0.9 OUTLIER -116.16 143.17 45.85 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.529 -0.305 . . . . 10.0 110.461 179.825 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 52.0 tttp -152.28 132.23 13.37 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-O 121.007 0.432 . . . . 10.0 110.97 179.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -101.47 111.95 24.35 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.987 -0.746 . . . . 10.0 108.987 179.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 3.7 m -132.23 165.7 31.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.9 0.381 . . . . 10.0 111.245 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 93.6 t -103.04 111.68 33.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 109.547 -0.538 . . . . 10.0 109.547 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 24.1 mt -119.97 120.76 64.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.491 -0.322 . . . . 10.0 110.938 -179.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 47' ' ' ASP . . . . . 0.439 ' OD1' ' HD2' ' C' ' 161' ' ' ARG . 4.0 m-20 62.7 23.57 14.04 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.575 -0.739 . . . . 10.0 112.325 179.448 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.52 8.38 64.1 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.989 -0.624 . . . . 10.0 113.065 179.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -121.66 140.65 52.01 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 110.292 -0.262 . . . . 10.0 110.292 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 56.1 m -78.9 112.73 16.36 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 107.999 -1.111 . . . . 10.0 107.999 178.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 51' ' ' CYS . . . . . 0.43 ' HB3' ' CD2' ' C' ' 4' ' ' TYR . 12.8 m -108.62 135.79 49.28 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 112.767 0.655 . . . . 10.0 112.767 -177.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 52' ' ' LEU . . . . . 0.444 ' HB3' ' HA ' ' C' ' 3' ' ' GLU . 29.8 tp -99.38 101.88 13.29 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.382 -0.97 . . . . 10.0 108.382 178.295 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 49.2 mt -83.48 122.35 28.42 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 112.678 0.621 . . . . 10.0 112.678 -178.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . 0.589 ' HB3' ' HA ' ' C' ' 5' ' ' LYS . 9.4 t70 -107.85 86.62 2.33 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.077 -1.453 . . . . 10.0 107.077 177.514 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 55' ' ' ILE . . . . . 0.606 HG12 HD12 ' C' ' 6' ' ' LEU . 9.5 mt -85.81 138.36 19.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.809 -0.632 . . . . 10.0 111.97 -176.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 36.3 tp -127.8 112.94 15.33 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.763 179.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -93.8 112.22 24.04 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.07 -0.715 . . . . 10.0 109.07 179.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 33.9 p -102.36 174.25 5.99 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.369 -0.378 . . . . 10.0 111.721 -178.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 59' ' ' ALA . . . . . 0.707 ' HB2' ' HA ' ' C' ' 36' ' ' ILE . . . -96.17 135.49 37.9 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.25 0.548 . . . . 10.0 110.703 179.206 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -106.54 35.77 4.83 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.73 -0.748 . . . . 10.0 111.875 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -97.92 18.16 16.54 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 111.7 0.259 . . . . 10.0 111.7 -179.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 62' ' ' GLU . . . . . 0.58 ' HG3' ' H ' ' C' ' 63' ' ' GLU . 4.1 tp10 62.59 -172.26 0.16 Allowed 'General case' 0 CA--C 1.532 0.256 0 O-C-N 123.25 0.344 . . . . 10.0 111.109 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 63' ' ' GLU . . . . . 0.58 ' H ' ' HG3' ' C' ' 62' ' ' GLU . 26.8 tt0 73.87 2.8 4.31 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 122.963 0.505 . . . . 10.0 111.72 179.511 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 64' ' ' TYR . . . . . 0.753 ' HB3' ' HB3' ' C' ' 67' ' ' MET . 14.4 m-85 -112.63 47.23 1.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.186 0.517 . . . . 10.0 111.123 -179.068 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -44.05 97.84 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.583 -0.735 . . . . 10.0 111.436 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -82.09 -36.45 27.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.21 0.529 . . . . 10.0 110.186 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 67' ' ' MET . . . . . 0.753 ' HB3' ' HB3' ' C' ' 64' ' ' TYR . 19.3 ttt -61.28 -33.91 74.32 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.802 -0.635 . . . . 10.0 110.368 179.34 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 68' ' ' ARG . . . . . 0.462 ' HA ' ' CZ ' ' C' ' 71' ' ' TYR . 1.6 ttp180 -60.19 -48.02 83.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.163 -0.471 . . . . 10.0 110.429 179.552 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.62 -37.52 78.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.859 179.469 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -54.65 -45.3 73.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.182 -0.917 . . . . 10.0 112.545 -179.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 71' ' ' TYR . . . . . 0.462 ' CZ ' ' HA ' ' C' ' 68' ' ' ARG . 15.5 p90 -91.89 -23.18 19.72 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 113.228 0.825 . . . . 10.0 113.228 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 72' ' ' MET . . . . . 0.416 ' HE2' HG13 ' C' ' 100' ' ' ILE . 44.6 mtt -64.3 -27.68 69.2 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.334 0.588 . . . . 10.0 111.459 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 73' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' C' ' 73' ' ' ARG . 32.2 mtm105 -79.95 -14.8 58.33 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.869 -0.605 . . . . 10.0 112.255 -179.544 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 1.8 m -107.0 -41.41 5.18 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.079 0.4 . . . . 10.0 112.079 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -58.46 116.15 8.11 Favored Glycine 0 C--N 1.329 0.184 0 C-N-CA 121.293 -0.48 . . . . 10.0 113.132 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . 0.412 ' HG3' ' HB2' ' C' ' 5' ' ' LYS . 62.6 mt-10 -73.99 -42.88 59.75 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.889 -0.412 . . . . 10.0 109.889 -179.526 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -122.65 143.58 15.43 Favored Glycine 0 N--CA 1.445 -0.715 0 N-CA-C 110.534 -1.027 . . . . 10.0 110.534 179.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 78' ' ' PHE . . . . . 0.437 ' HB2' ' HG2' ' C' ' 111' ' ' MET . 77.8 m-85 -118.41 126.33 51.84 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 117.195 0.497 . . . . 10.0 111.863 -178.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 79' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' C' ' 79' ' ' LEU . 11.1 tp -97.53 106.38 18.69 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.812 -0.631 . . . . 10.0 109.694 179.621 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 4.2 m -83.43 88.32 6.99 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.031 0.443 . . . . 10.0 111.02 -179.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 99.0 t -95.92 128.93 46.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.02 -0.536 . . . . 10.0 110.979 -179.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 82' ' ' PHE . . . . . 0.415 ' HB3' HD11 ' C' ' 93' ' ' ILE . 39.3 p90 -138.9 169.62 17.45 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.217 -0.66 . . . . 10.0 109.217 179.091 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 83' ' ' ALA . . . . . 0.42 ' HB3' ' HB3' ' C' ' 86' ' ' ASN . . . -106.9 133.92 50.83 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 110.076 -0.342 . . . . 10.0 110.076 -179.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 84' ' ' ILE . . . . . 0.777 HD12 ' HB3' ' C' ' 123' ' ' ARG . 12.5 pt -66.94 -15.36 19.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 111.819 0.303 . . . . 10.0 111.819 -179.283 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 9.8 p-10 -103.04 9.17 38.69 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.151 0.501 . . . . 10.0 110.103 179.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 86' ' ' ASN . . . . . 0.42 ' HB3' ' HB3' ' C' ' 83' ' ' ALA . 53.5 t-20 -127.97 97.24 4.73 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.455 -0.793 . . . . 10.0 109.588 179.572 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 1.4 m -63.9 -35.93 82.28 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.933 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 23.4 tptp -60.69 -37.23 80.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.88 0.371 . . . . 10.0 111.301 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 95.1 p -68.16 -28.4 67.26 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.681 -0.408 . . . . 10.0 110.482 179.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -76.97 -35.58 57.11 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 109.064 -0.717 . . . . 10.0 109.064 178.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -68.77 -37.11 79.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.657 -0.701 . . . . 10.0 110.23 178.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 92' ' ' ASP . . . . . 0.462 ' HA ' ' HD2' ' C' ' 95' ' ' HIS . 0.2 OUTLIER -66.97 -17.71 65.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.593 -0.73 . . . . 10.0 112.063 -179.08 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 93' ' ' ILE . . . . . 0.415 HD11 ' HB3' ' C' ' 82' ' ' PHE . 49.0 mm -57.95 -42.18 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 N-CA-C 109.75 -0.463 . . . . 10.0 109.75 179.262 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 94' ' ' HIS . . . . . 0.522 ' HD2' ' HG2' ' C' ' 98' ' ' GLU . 4.1 t-160 -65.72 -46.05 80.42 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.61 -0.723 . . . . 10.0 109.441 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 95' ' ' HIS . . . . . 0.462 ' HD2' ' HA ' ' C' ' 92' ' ' ASP . 98.5 m-70 -60.07 -44.06 95.0 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.539 -0.755 . . . . 10.0 111.732 -179.445 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 96' ' ' TYR . . . . . 0.416 ' O ' HG13 ' C' ' 100' ' ' ILE . 4.7 m-85 -65.52 -50.06 66.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.359 -0.382 . . . . 10.0 111.409 179.534 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -56.12 -48.63 75.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.273 -0.421 . . . . 10.0 111.574 -179.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . 0.522 ' HG2' ' HD2' ' C' ' 94' ' ' HIS . 24.5 mm-40 -61.09 -30.83 70.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.213 -0.449 . . . . 10.0 112.191 -179.397 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -75.15 -42.48 55.99 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.027 -0.36 . . . . 10.0 110.027 179.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 100' ' ' ILE . . . . . 0.416 HG13 ' O ' ' C' ' 96' ' ' TYR . 81.2 mt -57.04 -47.39 83.68 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.214 179.531 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -56.35 -39.66 73.21 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.747 -0.66 . . . . 10.0 112.085 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -77.5 -46.94 20.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.656 0.265 . . . . 10.0 111.71 -179.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 68.9 t -63.58 -44.54 98.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.793 0.33 . . . . 10.0 111.601 -179.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 15.8 tttp -82.36 -10.78 58.94 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.537 -0.301 . . . . 10.0 110.988 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 12.2 t70 56.03 50.52 13.59 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.546 -0.752 . . . . 10.0 111.355 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 9.6 t -149.99 157.08 42.79 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 116.143 -0.48 . . . . 10.0 110.925 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -95.18 -29.42 14.54 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.728 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -114.61 111.37 21.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.96 0.409 . . . . 10.0 110.747 -178.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 109' ' ' VAL . . . . . 0.422 ' HA ' ' HD3' ' C' ' 110' ' ' PRO . 59.9 t -127.94 134.66 26.46 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 115.965 -0.561 . . . . 10.0 109.661 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 110' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' C' ' 109' ' ' VAL . 38.6 Cg_exo -61.89 108.5 0.66 Allowed 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.868 2.379 . . . . 10.0 111.654 179.224 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 111' ' ' MET . . . . . 0.437 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 32.3 mtm -138.25 152.19 48.34 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.397 -179.732 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 69.0 t -134.49 128.01 50.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.374 -0.602 . . . . 10.0 109.374 178.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 15.5 tp -83.8 114.22 21.47 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.404 -0.591 . . . . 10.0 109.404 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 60.5 t -117.58 117.84 56.44 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.475 0 CA-C-N 116.136 -0.483 . . . . 10.0 111.207 -178.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -98.85 118.22 6.1 Favored Glycine 0 N--CA 1.448 -0.561 0 N-CA-C 110.516 -1.033 . . . . 10.0 110.516 178.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 116' ' ' ASN . . . . . 0.519 ' ND2' ' HA3' ' C' ' 15' ' ' GLY . 64.9 t30 -100.84 167.48 10.26 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.971 0.385 . . . . 10.0 111.5 -178.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 117' ' ' LYS . . . . . 0.486 ' HB3' HD12 ' C' ' 120' ' ' LEU . 83.6 mttt 64.48 26.8 13.47 Favored 'General case' 0 N--CA 1.461 0.097 0 CA-C-N 115.741 -0.663 . . . . 10.0 111.35 179.678 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 118' ' ' CYS . . . . . 0.645 ' HA ' HD13 ' C' ' 84' ' ' ILE . 59.4 m -64.36 -18.02 64.27 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.952 0.723 . . . . 10.0 112.952 -179.343 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -90.32 2.08 55.89 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.789 0.328 . . . . 10.0 111.804 -179.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 120' ' ' LEU . . . . . 0.486 HD12 ' HB3' ' C' ' 117' ' ' LYS . 17.1 mt -81.58 140.98 48.12 Favored Pre-proline 0 C--O 1.236 0.37 0 CA-C-N 116.383 -0.371 . . . . 10.0 110.459 179.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 121' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' C' ' 120' ' ' LEU . 21.2 Cg_exo -66.85 138.41 48.41 Favored 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 122.788 2.325 . . . . 10.0 113.158 -179.393 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 55.4 m 60.88 92.13 0.05 Allowed 'General case' 0 C--O 1.234 0.265 0 N-CA-C 113.637 0.977 . . . . 10.0 113.637 178.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 123' ' ' ARG . . . . . 0.777 ' HB3' HD12 ' C' ' 84' ' ' ILE . 11.8 ptp180 -89.34 147.2 24.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.013 179.509 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 7.9 p -94.6 -30.31 14.42 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.838 0.351 . . . . 10.0 110.16 178.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 125' ' ' VAL . . . . . 0.501 ' O ' ' HD3' ' C' ' 123' ' ' ARG . 64.4 t -95.43 120.55 44.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.115 179.006 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 126' ' ' ASP . . . . . 0.464 ' O ' ' HG2' ' C' ' 129' ' ' GLN . 0.6 OUTLIER -72.94 140.88 47.74 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.185 179.629 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 1.8 m -63.24 -35.27 79.79 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.749 0.309 . . . . 10.0 110.467 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 128' ' ' LYS . . . . . 0.59 ' HB3' ' HA ' ' B' ' 47' ' ' ASP . 43.1 mtmt -54.86 -54.73 38.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.765 -0.652 . . . . 10.0 111.638 179.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 129' ' ' GLN . . . . . 0.464 ' HG2' ' O ' ' C' ' 126' ' ' ASP . 4.6 pt20 -62.41 -35.2 78.47 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 120.882 0.372 . . . . 10.0 111.826 -179.438 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.4 -41.26 85.21 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.038 0.447 . . . . 10.0 110.271 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -70.83 -39.02 73.25 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.861 -0.608 . . . . 10.0 110.028 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -63.87 -45.3 90.07 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.578 -0.737 . . . . 10.0 110.81 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 37.0 tp -59.83 -44.25 94.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.299 179.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 134' ' ' ALA . . . . . 0.438 ' HB1' ' O ' ' C' ' 139' ' ' ILE . . . -63.27 -37.07 85.79 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.762 -0.654 . . . . 10.0 110.215 179.283 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -61.71 -45.87 92.09 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.762 -0.653 . . . . 10.0 111.155 179.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 14.7 m -69.08 -35.9 77.03 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.124 -0.489 . . . . 10.0 111.509 -179.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -78.28 -18.33 55.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.438 -0.346 . . . . 10.0 111.563 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 78.87 21.43 68.46 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 121.027 -0.606 . . . . 10.0 112.157 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 139' ' ' ILE . . . . . 0.438 ' O ' ' HB1' ' C' ' 134' ' ' ALA . 44.9 pt -115.59 154.9 47.89 Favored Pre-proline 0 C--N 1.324 -0.518 0 N-CA-C 110.394 -0.225 . . . . 10.0 110.394 -179.513 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -77.62 148.29 25.81 Favored 'Trans proline' 0 C--O 1.233 0.267 0 C-N-CA 122.572 2.182 . . . . 10.0 113.122 -179.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -120.7 127.66 52.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.709 -0.678 . . . . 10.0 109.641 178.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 54.3 mt -130.96 130.97 64.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.864 0.364 . . . . 10.0 111.305 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -84.41 131.01 34.72 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.418 -0.956 . . . . 10.0 108.418 177.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 144' ' ' THR . . . . . 0.406 HG22 ' HA3' ' C' ' 151' ' ' GLY . 43.7 p -133.14 172.57 12.48 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.685 0.755 . . . . 10.0 112.35 -178.277 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 10.0 t -153.39 116.56 4.59 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.002 -0.999 . . . . 10.0 108.341 178.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 146' ' ' ALA . . . . . 0.478 ' HB2' ' HG ' ' C' ' 19' ' ' LEU . . . -76.13 -29.99 58.04 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.236 -0.653 . . . . 10.0 109.236 179.505 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 75.7 tttt -65.12 -44.07 89.94 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 114.792 -1.095 . . . . 10.0 111.64 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.46 -0.97 34.29 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.062 0.393 . . . . 10.0 112.062 -179.053 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 149' ' ' ARG . . . . . 0.474 ' HG3' ' HB3' ' C' ' 22' ' ' GLN . 20.4 ttt-85 56.71 49.23 14.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.283 0.563 . . . . 10.0 112.118 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -115.26 128.78 56.36 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.582 -0.735 . . . . 10.0 110.652 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 151' ' ' GLY . . . . . 0.406 ' HA3' HG22 ' C' ' 144' ' ' THR . . . 86.21 -1.1 87.59 Favored Glycine 0 CA--C 1.516 0.12 0 CA-C-N 116.042 -0.526 . . . . 10.0 113.55 178.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 152' ' ' VAL . . . . . 0.409 HG23 ' H ' ' C' ' 152' ' ' VAL . 3.2 t -63.43 -56.81 14.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.887 0.375 . . . . 10.0 111.306 -178.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -60.08 -41.99 93.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.645 -0.707 . . . . 10.0 110.312 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -62.09 -47.35 85.02 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.976 -0.556 . . . . 10.0 112.163 -179.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -57.0 -53.91 52.7 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.284 -0.416 . . . . 10.0 111.648 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -62.08 -43.8 98.06 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.088 -0.505 . . . . 10.0 111.78 -179.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -63.84 -44.12 94.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.963 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 158' ' ' THR . . . . . 0.671 ' HA ' ' HE ' ' C' ' 161' ' ' ARG . 55.5 m -60.08 -39.18 85.19 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.614 0.598 . . . . 10.0 112.614 -179.435 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 44.7 tp -58.47 -35.26 71.91 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.898 0.38 . . . . 10.0 110.704 179.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 62.2 t -64.61 -39.02 84.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.145 179.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 161' ' ' ARG . . . . . 0.671 ' HE ' ' HA ' ' C' ' 158' ' ' THR . 0.1 OUTLIER -62.27 -39.98 94.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.95 -0.568 . . . . 10.0 109.96 179.04 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -68.26 -31.16 70.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.676 -0.693 . . . . 10.0 111.147 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 95.6 mt -67.1 -44.86 87.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 N-CA-C 109.534 -0.543 . . . . 10.0 109.534 178.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 37.5 mtt85 -67.53 -38.45 84.25 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.561 -0.533 . . . . 10.0 109.561 178.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -59.57 -38.81 82.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.268 -0.878 . . . . 10.0 109.771 179.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -65.01 -47.96 75.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.323 -0.853 . . . . 10.0 110.418 179.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 97.1 mttt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 115.944 -0.571 . . . . 10.0 111.036 -179.894 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 8.2 tmtm? . . . . . 0 CA--C 1.523 -0.096 0 CA-C-O 120.607 0.242 . . . . 10.0 111.437 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 86.4 mt -68.01 -36.42 79.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.92 0.391 . . . . 10.0 110.791 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 54.2 mt -69.78 -39.79 76.42 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.656 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -68.97 -44.34 73.12 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.721 -0.672 . . . . 10.0 110.663 179.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -73.94 -14.22 61.01 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.037 -0.529 . . . . 10.0 111.912 -179.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 21.3 t90 -69.51 -32.62 71.59 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 108.806 -0.813 . . . . 10.0 108.806 178.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -62.57 -40.7 97.72 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.371 -0.831 . . . . 10.0 110.478 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.38 -40.75 91.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.773 -0.649 . . . . 10.0 110.354 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 39.0 t -70.59 -40.03 76.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.041 178.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 26.5 m -59.76 -46.1 90.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.702 -0.681 . . . . 10.0 111.637 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 2.7 p -65.86 -45.03 83.64 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.049 0.452 . . . . 10.0 110.238 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 213' ' ' THR . . . . . 0.623 ' O ' ' HG ' ' A' ' 217' ' ' LEU . 39.2 m -58.23 -46.27 86.2 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.05 178.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.8 -40.35 88.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.573 179.273 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 14.2 m -62.65 -46.59 87.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.227 -0.442 . . . . 10.0 109.991 179.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 40.5 mmtt -60.86 -41.51 96.05 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.965 -0.562 . . . . 10.0 109.885 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 217' ' ' LEU . . . . . 0.623 ' HG ' ' O ' ' A' ' 213' ' ' THR . 88.9 mt -64.15 -42.58 96.71 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.3 179.262 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 24.4 ttm180 -65.78 -40.32 91.88 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.312 -0.403 . . . . 10.0 110.676 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -66.48 -27.94 68.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.014 0.435 . . . . 10.0 110.356 178.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -82.63 -28.93 30.42 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.74 -0.664 . . . . 10.0 109.411 178.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 221' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 221' ' ' LEU . 13.9 mt -55.86 -41.58 74.58 Favored 'General case' 0 C--O 1.225 -0.196 0 CA-C-N 116.264 -0.425 . . . . 10.0 111.58 179.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -53.21 -67.84 1.93 Allowed Glycine 0 CA--C 1.518 0.263 0 N-CA-C 111.435 -0.666 . . . . 10.0 111.435 179.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -51.73 -44.9 41.54 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.996 2.464 . . . . 10.0 111.371 178.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 224' ' ' VAL . . . . . 0.634 HG22 ' HD3' ' D' ' 550' ' ' LYS . 25.0 t -55.43 -48.76 76.64 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-O 120.636 0.255 . . . . 10.0 110.694 179.316 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 225' ' ' THR . . . . . 0.444 ' O ' ' HB2' ' A' ' 229' ' ' TRP . 30.4 m -62.6 -44.67 95.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.068 -0.515 . . . . 10.0 109.971 179.541 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -61.72 -51.72 67.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.329 -0.396 . . . . 10.0 111.241 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -60.31 -47.36 86.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.921 -0.581 . . . . 10.0 111.257 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -64.68 -43.12 94.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.342 -0.39 . . . . 10.0 110.947 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 229' ' ' TRP . . . . . 0.444 ' HB2' ' O ' ' A' ' 225' ' ' THR . 1.1 m-90 -65.6 -37.01 85.41 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 116.272 -0.422 . . . . 10.0 111.46 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -59.35 -44.65 92.64 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.34 -0.615 . . . . 10.0 109.34 178.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 231' ' ' ASN . . . . . 0.688 ' HA ' ' HE2' ' A' ' 234' ' ' LYS . 78.6 m-20 -69.22 -34.61 75.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.483 -0.781 . . . . 10.0 109.611 178.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 41.9 mt -67.42 -32.8 73.93 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.976 -0.556 . . . . 10.0 109.522 178.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 233' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 229' ' ' TRP . 13.5 mm-40 -65.58 -42.96 91.15 Favored 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 109.048 -0.723 . . . . 10.0 109.048 178.059 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 234' ' ' LYS . . . . . 0.688 ' HE2' ' HA ' ' A' ' 231' ' ' ASN . 13.0 mtmt -69.09 -32.4 71.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.745 -0.661 . . . . 10.0 109.26 178.429 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.5 -48.48 66.98 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 115.733 -0.667 . . . . 10.0 109.892 178.753 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 2.5 p -67.18 -40.65 86.58 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.051 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -59.01 -44.67 91.72 Favored 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 109.622 -0.51 . . . . 10.0 109.622 178.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -59.22 -46.4 93.88 Favored Glycine 0 N--CA 1.448 -0.502 0 N-CA-C 110.7 -0.96 . . . . 10.0 110.7 178.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 239' ' ' LEU . . . . . 0.567 ' HA ' ' HB2' ' A' ' 242' ' ' GLU . 14.5 mt -68.37 -27.51 66.3 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.686 0.279 . . . . 10.0 111.691 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -68.96 -38.02 79.16 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.246 0.546 . . . . 10.0 109.689 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -75.88 -36.22 59.58 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.413 -0.958 . . . . 10.0 108.413 177.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 242' ' ' GLU . . . . . 0.567 ' HB2' ' HA ' ' A' ' 239' ' ' LEU . 1.1 mt-10 -64.13 -37.95 89.31 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 115.046 -0.979 . . . . 10.0 109.962 178.26 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 243' ' ' MET . . . . . 0.653 ' HG3' HD12 ' A' ' 247' ' ' LEU . 48.7 ttm -55.84 -36.59 67.69 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.699 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 2.3 m -68.52 0.89 3.54 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.848 -0.615 . . . . 10.0 111.745 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -133.3 -56.09 0.91 Allowed 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.136 179.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 246' ' ' ASP . . . . . 0.595 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 17.4 t70 -55.94 -41.5 74.74 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.706 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 247' ' ' LEU . . . . . 0.653 HD12 ' HG3' ' A' ' 243' ' ' MET . 17.4 mt -98.44 -40.76 8.12 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.151 0.426 . . . . 10.0 112.151 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -61.95 -43.93 97.81 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.934 -0.306 . . . . 10.0 111.614 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -68.36 -34.44 76.08 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.953 -0.299 . . . . 10.0 111.043 179.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 250' ' ' VAL . . . . . 0.789 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 0.8 OUTLIER -66.96 -22.29 29.34 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.513 0 C-N-CA 120.681 -0.408 . . . . 10.0 110.668 179.768 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 251' ' ' LYS . . . . . 0.5 ' HG3' ' O ' ' A' ' 247' ' ' LEU . 82.3 mttt -86.47 -46.61 10.04 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.371 -0.603 . . . . 10.0 109.371 178.174 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -64.14 -37.35 87.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.978 -0.555 . . . . 10.0 110.967 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -86.36 -15.65 39.82 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.213 -0.449 . . . . 10.0 111.464 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 254' ' ' VAL . . . . . 0.789 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.3 OUTLIER -67.99 -25.69 32.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.654 -0.418 . . . . 10.0 110.727 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 255' ' ' GLN . . . . . 0.587 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 31.2 mt-30 -60.28 -62.2 6.41 Favored Pre-proline 0 N--CA 1.452 -0.336 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.513 179.384 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 256' ' ' PRO . . . . . 0.587 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 38.3 Cg_endo -68.35 -28.91 32.54 Favored 'Trans proline' 0 C--N 1.356 0.921 0 C-N-CA 121.62 1.546 . . . . 10.0 111.68 178.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 6.7 m-30 -65.81 -54.59 24.85 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-O 120.87 0.367 . . . . 10.0 110.678 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 258' ' ' LEU . . . . . 0.564 ' HG ' HG22 ' A' ' 254' ' ' VAL . 62.6 mt -66.7 -35.04 79.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.371 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -63.47 -46.76 84.72 Favored 'General case' 0 CA--C 1.517 -0.324 0 O-C-N 123.41 0.444 . . . . 10.0 110.036 178.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -56.58 -53.29 59.31 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.187 179.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -63.41 -41.65 98.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.569 -0.742 . . . . 10.0 111.467 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.54 -40.98 85.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.537 0.208 . . . . 10.0 111.101 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.32 -44.99 95.22 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.08 -0.711 . . . . 10.0 109.08 179.302 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 264' ' ' LYS . . . . . 0.595 ' NZ ' ' HB2' ' D' ' 513' ' ' ALA . 78.2 mttt -68.4 -36.6 79.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.689 -0.687 . . . . 10.0 109.755 178.461 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -63.12 -39.09 93.66 Favored 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 109.585 -0.524 . . . . 10.0 109.585 178.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -59.58 -49.47 77.65 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 108.883 -0.784 . . . . 10.0 108.883 178.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -64.25 -41.16 97.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.656 -0.702 . . . . 10.0 110.39 179.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 268' ' ' GLU . . . . . 0.471 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 4.9 mt-10 -60.87 -44.31 97.23 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.951 -0.388 . . . . 10.0 109.951 178.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 90.9 mmm -68.17 -42.73 79.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.947 -0.57 . . . . 10.0 110.063 179.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -60.77 -50.22 74.33 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 116.227 -0.442 . . . . 10.0 109.843 179.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 271' ' ' LEU . . . . . 0.49 ' O ' ' HD3' ' A' ' 275' ' ' LYS . 39.0 mt -60.28 -39.18 85.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.064 -0.517 . . . . 10.0 109.89 178.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 272' ' ' TYR . . . . . 0.422 ' HD1' ' HA ' ' A' ' 272' ' ' TYR . 0.5 OUTLIER -63.23 -50.87 68.51 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.174 -0.466 . . . . 10.0 109.948 178.644 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 61.0 mtt85 -63.59 -38.57 91.63 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.62 -0.264 . . . . 10.0 110.985 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 44.4 mm-40 -63.9 -25.81 68.32 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.646 179.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 275' ' ' LYS . . . . . 0.622 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 11.1 mptt -93.33 -30.69 15.0 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.963 -0.562 . . . . 10.0 109.855 178.46 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 276' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 272' ' ' TYR . 4.2 t -55.59 -45.42 78.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 10.0 111.746 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 277' ' ' GLU . . . . . 0.405 ' HB2' ' CD ' ' A' ' 278' ' ' PRO . 12.7 mt-10 -58.87 -61.14 8.36 Favored Pre-proline 0 C--O 1.234 0.262 0 N-CA-C 112.729 0.64 . . . . 10.0 112.729 -179.509 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 278' ' ' PRO . . . . . 0.405 ' CD ' ' HB2' ' A' ' 277' ' ' GLU . 20.4 Cg_endo -60.89 -42.38 38.09 Favored 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 122.026 1.817 . . . . 10.0 112.347 179.35 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 279' ' ' LEU . . . . . 0.756 HD22 ' HE3' ' D' ' 495' ' ' LYS . 20.0 mt -63.36 -41.61 98.84 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 121.007 -0.277 . . . . 10.0 110.875 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -62.21 -42.05 98.94 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 109.397 -0.594 . . . . 10.0 109.397 178.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -62.88 -46.84 85.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.804 -0.634 . . . . 10.0 110.038 179.193 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -59.08 -48.53 81.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.195 179.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 94.1 mt -62.86 -39.04 93.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.593 -0.731 . . . . 10.0 110.577 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -64.22 -50.36 68.32 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.677 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -62.09 -41.62 98.38 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.207 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -64.21 -47.22 87.15 Favored Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 110.767 -0.933 . . . . 10.0 110.767 178.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -58.58 -40.65 83.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.601 0.239 . . . . 10.0 110.42 179.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -56.59 -46.82 80.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.477 179.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 11.0 tm0? -72.43 -49.2 35.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.86 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -57.6 -43.38 84.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.09 -0.504 . . . . 10.0 112.128 -179.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 92.3 mt -72.84 -38.39 67.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.641 -0.254 . . . . 10.0 111.126 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 24.0 t-80 -65.06 -36.93 85.9 Favored 'General case' 0 CA--C 1.521 -0.155 0 N-CA-C 108.663 -0.866 . . . . 10.0 108.663 178.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -60.88 -36.2 78.59 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 115.235 -0.893 . . . . 10.0 109.006 178.18 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 13.4 mt -71.04 -42.42 69.52 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 115.503 -0.771 . . . . 10.0 109.853 178.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 295' ' ' GLN . . . . . 0.457 ' HA ' ' HB2' ' A' ' 298' ' ' LEU . 66.3 mt-30 -62.43 -30.89 71.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.376 179.371 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -67.5 -9.32 41.19 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.792 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . 0.565 ' HB3' HD12 ' A' ' 301' ' ' LEU . 58.7 mmtt -112.74 -37.8 4.76 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.617 -0.883 . . . . 10.0 108.617 178.117 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 298' ' ' LEU . . . . . 0.542 ' O ' ' HA3' ' A' ' 302' ' ' GLY . 43.6 mt -57.69 -32.17 67.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.524 -0.762 . . . . 10.0 111.978 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 299' ' ' SER . . . . . 0.844 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 1.1 m -87.31 -67.3 0.16 Allowed Pre-proline 0 CA--C 1.537 0.461 0 N-CA-C 112.137 0.421 . . . . 10.0 112.137 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 300' ' ' PRO . . . . . 0.844 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 43.4 Cg_exo -59.6 -55.85 1.55 Allowed 'Trans proline' 0 C--N 1.355 0.887 0 C-N-CA 122.28 1.987 . . . . 10.0 112.63 -179.606 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 301' ' ' LEU . . . . . 0.565 HD12 ' HB3' ' A' ' 297' ' ' LYS . 88.9 mt -73.87 -21.24 60.17 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.06 0.457 . . . . 10.0 110.385 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 302' ' ' GLY . . . . . 0.542 ' HA3' ' O ' ' A' ' 298' ' ' LEU . . . -70.53 -52.58 15.71 Favored Glycine 0 N--CA 1.443 -0.852 0 N-CA-C 111.017 -0.833 . . . . 10.0 111.017 178.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -65.33 -34.57 78.64 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.675 -0.491 . . . . 10.0 109.675 178.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -63.02 -41.33 99.52 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.603 -0.726 . . . . 10.0 109.479 178.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 7.4 tpt -66.04 -42.76 89.12 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.659 -0.7 . . . . 10.0 109.513 178.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 306' ' ' ARG . . . . . 0.48 ' O ' ' HG3' ' A' ' 310' ' ' ARG . 70.4 mtt180 -59.51 -44.67 93.07 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.299 178.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 307' ' ' ASP . . . . . 0.506 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 27.6 t70 -65.97 -41.87 90.6 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.828 179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 308' ' ' ARG . . . . . 0.656 ' HG3' HD21 ' D' ' 469' ' ' LEU . 19.8 mmt180 -65.48 -31.98 73.35 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.258 -0.645 . . . . 10.0 109.258 178.411 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 309' ' ' ALA . . . . . 0.52 ' HA ' ' HB2' ' A' ' 312' ' ' HIS . . . -68.43 -35.88 78.24 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 108.906 -0.776 . . . . 10.0 108.906 178.265 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 310' ' ' ARG . . . . . 0.506 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 75.9 mtt180 -58.71 -42.77 89.41 Favored 'General case' 0 CA--C 1.516 -0.335 0 N-CA-C 108.998 -0.741 . . . . 10.0 108.998 177.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -71.34 -38.81 71.61 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.663 -0.699 . . . . 10.0 109.557 178.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 312' ' ' HIS . . . . . 0.52 ' HB2' ' HA ' ' A' ' 309' ' ' ALA . 0.1 OUTLIER -54.9 -51.26 66.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.437 -0.801 . . . . 10.0 109.521 178.443 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 313' ' ' VAL . . . . . 0.583 ' HA ' HD12 ' A' ' 316' ' ' LEU . 21.1 t -76.68 -29.72 18.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.541 -0.754 . . . . 10.0 111.522 -179.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -63.03 -48.51 78.46 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.548 -0.538 . . . . 10.0 109.548 179.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -59.38 -36.81 76.48 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.011 -0.737 . . . . 10.0 109.011 178.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 316' ' ' LEU . . . . . 0.583 HD12 ' HA ' ' A' ' 313' ' ' VAL . 44.8 mt -66.12 -53.49 37.24 Favored 'General case' 0 C--O 1.219 -0.548 0 CA-C-N 115.32 -0.855 . . . . 10.0 109.38 178.512 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 17.5 mtm105 -56.09 -43.13 77.75 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.184 0.439 . . . . 10.0 112.184 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 2.0 m -69.88 -23.1 63.2 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.01 0.374 . . . . 10.0 112.01 -179.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 7.9 m170 -97.56 -41.7 8.03 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 111.779 0.288 . . . . 10.0 111.779 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 93.3 mt -64.17 -33.57 76.1 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.917 0.34 . . . . 10.0 111.917 -179.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 321' ' ' ALA . . . . . 0.404 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -55.94 -62.47 4.62 Favored Pre-proline 0 CA--C 1.535 0.392 0 C-N-CA 121.079 -0.248 . . . . 10.0 111.497 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 322' ' ' PRO . . . . . 0.404 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 28.6 Cg_endo -66.12 -33.44 40.53 Favored 'Trans proline' 0 C--N 1.354 0.834 0 C-N-CA 121.393 1.396 . . . . 10.0 111.125 178.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 323' ' ' TYR . . . . . 0.429 ' O ' ' HG ' ' A' ' 327' ' ' LEU . 10.0 m-30 -61.78 -47.72 83.91 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.553 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 324' ' ' SER . . . . . 0.458 ' HA ' HD12 ' A' ' 327' ' ' LEU . 25.0 p -66.53 -37.74 85.67 Favored 'General case' 0 CA--C 1.517 -0.301 0 O-C-N 123.279 0.362 . . . . 10.0 110.338 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 325' ' ' ASP . . . . . 0.805 ' HA ' ' HD2' ' A' ' 328' ' ' ARG . 8.1 t0 -64.35 -39.11 93.23 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.247 0.546 . . . . 10.0 109.668 179.128 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -70.67 -30.6 67.23 Favored 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 108.906 -0.775 . . . . 10.0 108.906 177.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . 0.695 HD23 ' HD2' ' A' ' 330' ' ' ARG . 67.9 mt -69.77 -32.28 70.7 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 108.672 -0.862 . . . . 10.0 108.672 178.121 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 328' ' ' ARG . . . . . 0.805 ' HD2' ' HA ' ' A' ' 325' ' ' ASP . 83.1 mtt180 -63.37 -38.66 92.0 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 108.701 -0.852 . . . . 10.0 108.701 177.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -66.55 -41.44 88.69 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 108.709 -0.849 . . . . 10.0 108.709 177.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 330' ' ' ARG . . . . . 0.866 HH21 ' HB3' ' D' ' 447' ' ' GLU . 34.3 mtt180 -59.41 -49.53 77.45 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 115.533 -0.758 . . . . 10.0 109.873 178.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 25.0 mt -56.96 -44.95 83.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.681 -0.69 . . . . 10.0 110.233 179.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 332' ' ' ALA . . . . . 0.473 ' O ' ' HB2' ' A' ' 336' ' ' GLU . . . -63.31 -42.7 99.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.607 179.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -66.45 -48.78 68.84 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.791 179.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 28.4 mmt180 -60.82 -51.69 68.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.855 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 335' ' ' LEU . . . . . 0.576 ' O ' ' HB2' ' A' ' 339' ' ' LYS . 35.7 mt -64.05 -37.88 89.05 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.152 0.427 . . . . 10.0 112.152 -179.237 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . 0.473 ' HB2' ' O ' ' A' ' 332' ' ' ALA . 11.2 tt0 -65.61 -44.14 87.46 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.765 -0.374 . . . . 10.0 110.543 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -65.83 -45.04 83.72 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 109.937 -0.394 . . . . 10.0 109.937 179.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 89.9 mt -72.06 -11.63 60.84 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.85 -0.614 . . . . 10.0 111.697 179.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 339' ' ' LYS . . . . . 0.576 ' HB2' ' O ' ' A' ' 335' ' ' LEU . 46.9 tttt -89.16 -45.94 9.19 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.924 0.393 . . . . 10.0 110.098 179.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -66.15 -48.16 71.7 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 108.831 -0.803 . . . . 10.0 108.831 178.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 341' ' ' ASN . . . . . 0.412 ' O ' ' HG3' ' A' ' 345' ' ' ARG . 15.2 t-20 -70.31 -35.77 73.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.347 -0.842 . . . . 10.0 109.045 178.342 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -62.12 -45.54 95.85 Favored Glycine 0 N--CA 1.448 -0.538 0 CA-C-N 115.681 -0.69 . . . . 10.0 111.78 179.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -62.83 -37.88 95.59 Favored Glycine 0 N--CA 1.445 -0.715 0 N-CA-C 110.58 -1.008 . . . . 10.0 110.58 178.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 344' ' ' ALA . . . . . 0.505 ' O ' ' HB2' ' A' ' 348' ' ' GLU . . . -64.95 -43.2 93.46 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 109.685 -0.487 . . . . 10.0 109.685 178.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 345' ' ' ARG . . . . . 0.483 ' HG2' ' OD1' ' D' ' 429' ' ' ASN . 49.9 mtm180 -63.52 -44.1 95.25 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.102 -0.499 . . . . 10.0 109.818 179.005 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 47.7 mt -60.65 -54.84 40.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.72 -0.673 . . . . 10.0 110.773 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.26 -43.2 82.81 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.216 0.532 . . . . 10.0 110.635 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 348' ' ' GLU . . . . . 0.514 ' HB3' ' HE2' ' A' ' 352' ' ' LYS . 2.7 tt0 -64.7 -46.15 83.58 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.601 -0.727 . . . . 10.0 110.113 179.56 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -63.05 -31.85 73.08 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.747 0.277 . . . . 10.0 111.747 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 32.3 m-70 -66.01 -40.13 90.83 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.604 -0.887 . . . . 10.0 108.604 177.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -68.86 -41.44 78.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.399 -0.819 . . . . 10.0 109.44 178.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 352' ' ' LYS . . . . . 0.514 ' HE2' ' HB3' ' A' ' 348' ' ' GLU . 38.4 mttm -61.97 -44.22 97.2 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.023 -0.732 . . . . 10.0 109.023 178.448 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -61.79 -32.78 73.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.648 -0.705 . . . . 10.0 109.982 179.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 57.7 m -66.0 -43.2 88.42 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.794 -0.817 . . . . 10.0 108.794 179.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -63.94 -38.64 91.83 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.533 -0.543 . . . . 10.0 109.533 177.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 -64.71 -40.21 94.97 Favored 'General case' 0 C--O 1.223 -0.333 0 N-CA-C 109.303 -0.629 . . . . 10.0 109.303 178.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 68.6 mt -66.66 -38.0 85.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.568 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 20.2 m -63.11 -40.62 98.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.254 179.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.32 -32.02 54.99 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.521 -0.548 . . . . 10.0 109.521 179.185 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 30.6 tp -66.18 -30.12 70.53 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-N 115.717 -0.674 . . . . 10.0 109.446 178.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 50.5 m -63.09 -33.78 76.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.831 -0.622 . . . . 10.0 109.331 178.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 362' ' ' GLU . . . . . 0.623 ' HA ' ' HD2' ' A' ' 366' ' ' PRO . 20.7 mm-40 -72.34 -17.76 61.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.825 -0.625 . . . . 10.0 110.195 178.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 363' ' ' LYS . . . . . 0.674 ' HE2' HG23 ' D' ' 411' ' ' THR . 81.1 mttt -92.38 -38.08 12.22 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.01 179.056 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -80.51 -19.64 45.38 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.539 -0.755 . . . . 10.0 112.582 -179.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 365' ' ' LYS . . . . . 1.012 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 71.2 mttt -113.97 -77.41 0.01 OUTLIER Pre-proline 0 CA--C 1.538 0.506 0 N-CA-C 112.547 0.573 . . . . 10.0 112.547 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 366' ' ' PRO . . . . . 1.012 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 35.4 Cg_exo -58.37 -51.03 8.21 Favored 'Trans proline' 0 C--N 1.357 0.99 0 C-N-CA 121.846 1.697 . . . . 10.0 112.755 -179.356 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 367' ' ' ALA . . . . . 0.658 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -63.35 -44.53 94.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.562 -0.29 . . . . 10.0 111.373 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 368' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 368' ' ' LEU . 2.7 mt -61.57 -44.88 96.22 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 121.014 -0.274 . . . . 10.0 110.917 179.674 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -63.81 -39.36 94.06 Favored 'General case' 0 C--O 1.224 -0.245 0 N-CA-C 109.485 -0.561 . . . . 10.0 109.485 178.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -62.33 -48.11 81.27 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.591 -0.731 . . . . 10.0 109.605 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 371' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 367' ' ' ALA . 92.6 mt -64.73 -40.37 95.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.795 179.463 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 78.8 mtt180 -63.65 -49.69 72.24 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.698 179.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -64.84 -27.3 68.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.706 179.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -79.68 -42.07 11.95 Favored Glycine 0 N--CA 1.444 -0.774 0 C-N-CA 120.783 -0.722 . . . . 10.0 112.005 179.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 375' ' ' LEU . . . . . 0.465 ' O ' ' HG ' ' A' ' 379' ' ' LEU . 51.7 mt -76.57 -28.46 56.24 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.752 0.649 . . . . 10.0 112.752 -179.498 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 19.0 mt -49.69 -57.94 10.7 Favored Pre-proline 0 CA--C 1.537 0.457 0 N-CA-C 112.876 0.695 . . . . 10.0 112.876 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.72 -22.41 50.12 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 121.898 1.732 . . . . 10.0 111.318 179.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 76.7 t -72.31 -40.03 64.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 108.535 -0.913 . . . . 10.0 108.535 178.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 379' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 375' ' ' LEU . 72.5 mt -64.66 -36.89 85.71 Favored 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 108.816 -0.809 . . . . 10.0 108.816 178.104 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -63.85 -49.15 73.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.619 -0.718 . . . . 10.0 110.123 178.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.37 -35.26 79.89 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.23 179.43 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.7 -39.4 91.35 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 115.926 -0.579 . . . . 10.0 109.693 178.527 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 383' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 379' ' ' LEU . 86.2 mttt -62.55 -34.55 77.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.98 -0.555 . . . . 10.0 109.513 178.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 87.1 t -67.36 -46.47 83.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.816 -0.629 . . . . 10.0 109.604 179.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.98 -41.5 95.37 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.923 0.392 . . . . 10.0 110.383 179.312 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 386' ' ' PHE . . . . . 0.435 ' O ' ' HG ' ' A' ' 390' ' ' LEU . 1.7 m-85 -60.34 -51.25 70.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.73 -0.668 . . . . 10.0 111.206 179.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 90.2 mt -60.27 -44.24 95.5 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.3 -0.409 . . . . 10.0 111.023 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 388' ' ' SER . . . . . 0.54 ' HB3' ' HE2' ' D' ' 594' ' ' LYS . 19.8 m -62.38 -44.26 96.87 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.892 -0.594 . . . . 10.0 110.448 179.489 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -63.79 -43.55 95.99 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.548 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 390' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 386' ' ' PHE . 70.4 mt -59.1 -43.0 91.83 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.509 -0.314 . . . . 10.0 110.471 179.33 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -62.98 -37.4 86.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.779 -0.646 . . . . 10.0 110.312 178.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 392' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 388' ' ' SER . 68.7 mm-40 -61.42 -40.7 95.4 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.464 179.173 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -64.86 -42.42 94.89 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.8 -0.636 . . . . 10.0 110.702 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 394' ' ' THR . . . . . 0.407 ' O ' ' HB3' ' A' ' 398' ' ' ASN . 1.1 m -70.73 -35.25 72.61 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.853 0.359 . . . . 10.0 110.467 179.565 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -71.18 -41.78 69.89 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.941 0.719 . . . . 10.0 112.941 -179.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 396' ' ' LYS . . . . . 0.621 ' HE2' ' HA ' ' D' ' 587' ' ' ALA . 13.7 mptt -93.15 -40.11 10.67 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 114.246 1.202 . . . . 10.0 114.246 -177.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 82.7 mt -83.45 -3.0 57.18 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.137 0.421 . . . . 10.0 112.137 -179.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 398' ' ' ASN . . . . . 0.407 ' HB3' ' O ' ' A' ' 394' ' ' THR . 30.3 t30 . . . . . 0 C--N 1.322 -0.617 0 CA-C-N 116.366 -0.379 . . . . 10.0 110.201 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 2.3 mm? . . . . . 0 CA--C 1.52 -0.186 0 CA-C-O 121.403 0.62 . . . . 10.0 110.106 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 4.5 mtpm? -122.53 17.62 10.45 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.247 -0.888 . . . . 10.0 109.516 179.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 71.8 mt -66.67 -40.9 88.79 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.409 -0.814 . . . . 10.0 110.148 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 84.5 mt -64.28 -35.34 80.52 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.652 -0.704 . . . . 10.0 109.841 178.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -64.63 -43.6 93.18 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.53 -0.759 . . . . 10.0 109.883 179.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 404' ' ' ASN . . . . . 0.434 ' O ' HG23 ' D' ' 408' ' ' VAL . 25.2 t-20 -70.86 -39.11 73.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.267 179.426 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -60.83 -37.37 81.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.975 -0.557 . . . . 10.0 111.159 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -61.61 -44.54 96.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.441 -0.345 . . . . 10.0 110.135 179.146 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.28 -42.01 85.61 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.972 -0.558 . . . . 10.0 109.972 178.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 408' ' ' VAL . . . . . 0.434 HG23 ' O ' ' D' ' 404' ' ' ASN . 46.3 t -65.43 -39.8 86.34 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 CA-C-N 115.91 -0.586 . . . . 10.0 109.75 179.061 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 27.4 m -62.97 -43.57 98.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.713 -0.676 . . . . 10.0 109.914 179.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 410' ' ' SER . . . . . 0.414 ' O ' ' HG2' ' D' ' 414' ' ' LYS . 7.6 m -62.39 -35.53 79.49 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 109.453 -0.573 . . . . 10.0 109.453 178.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 411' ' ' THR . . . . . 0.674 HG23 ' HE2' ' A' ' 363' ' ' LYS . 45.4 m -61.42 -45.34 94.72 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.574 -0.739 . . . . 10.0 109.688 178.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -68.03 -35.19 77.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.812 179.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 15.9 m -61.36 -46.44 90.22 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.608 -0.516 . . . . 10.0 109.608 179.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 414' ' ' LYS . . . . . 0.414 ' HG2' ' O ' ' D' ' 410' ' ' SER . 24.9 mmtt -66.09 -29.38 69.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.778 -0.647 . . . . 10.0 110.19 179.27 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 10.7 mt -70.25 -40.44 74.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.05 -0.523 . . . . 10.0 109.707 178.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 81.1 mtt180 -68.18 -32.8 73.31 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.815 -0.63 . . . . 10.0 110.375 179.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -67.05 -27.2 67.19 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.664 -0.698 . . . . 10.0 109.614 178.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -81.19 -49.43 10.82 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.391 -0.822 . . . . 10.0 109.075 178.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 81.6 mt -44.76 -42.91 8.13 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.18 -0.918 . . . . 10.0 112.387 -179.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -54.17 -79.27 0.09 OUTLIER Glycine 0 C--N 1.333 0.377 0 C-N-CA 121.118 -0.563 . . . . 10.0 112.569 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 421' ' ' PRO . . . . . 0.524 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 50.6 Cg_exo -55.56 -38.73 93.82 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.937 2.425 . . . . 10.0 112.433 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 20.7 t -58.77 -44.63 90.65 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 CA-C-N 116.586 -0.279 . . . . 10.0 111.692 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 33.9 p -73.64 -33.78 64.67 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.651 -0.42 . . . . 10.0 110.363 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -58.31 -51.83 68.16 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.424 -0.584 . . . . 10.0 109.424 178.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 425' ' ' GLU . . . . . 0.524 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 12.2 pt-20 -75.96 -26.04 56.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.884 -0.598 . . . . 10.0 111.051 179.65 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 426' ' ' PHE . . . . . 0.42 ' O ' ' HG ' ' D' ' 430' ' ' LEU . 46.2 t80 -65.95 -44.55 84.67 Favored 'General case' 0 CA--C 1.514 -0.412 0 N-CA-C 109.121 -0.696 . . . . 10.0 109.121 178.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 12.3 m0 -65.5 -38.83 90.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.465 -0.788 . . . . 10.0 109.498 178.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -65.86 -40.79 92.0 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.023 -0.732 . . . . 10.0 109.023 178.039 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 429' ' ' ASN . . . . . 0.483 ' OD1' ' HG2' ' A' ' 345' ' ' ARG . 4.8 t30 -62.69 -45.85 90.88 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.694 -0.854 . . . . 10.0 108.694 177.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 430' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' D' ' 426' ' ' PHE . 52.0 mt -58.3 -37.97 76.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.409 -0.814 . . . . 10.0 110.266 178.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -64.51 -42.22 95.93 Favored 'General case' 0 CA--C 1.523 -0.066 0 CA-C-N 116.561 -0.29 . . . . 10.0 110.432 178.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 36.0 mttp -64.35 -44.18 92.25 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 109.076 -0.713 . . . . 10.0 109.076 178.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 433' ' ' GLU . . . . . 0.567 ' O ' ' HG ' ' D' ' 437' ' ' LEU . 22.9 mt-10 -64.04 -55.35 22.87 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.393 -0.821 . . . . 10.0 110.887 179.683 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 16.9 p -57.15 -45.56 83.48 Favored 'General case' 0 C--O 1.226 -0.174 0 CA-C-N 116.339 -0.391 . . . . 10.0 111.674 -179.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -60.56 -46.92 88.4 Favored 'General case' 0 CA--C 1.519 -0.225 0 O-C-N 122.954 0.159 . . . . 10.0 110.691 179.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -60.66 -47.38 91.45 Favored Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 110.597 -1.001 . . . . 10.0 110.597 178.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 437' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' D' ' 433' ' ' GLU . 54.3 mt -63.71 -35.19 79.75 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-O 120.652 0.263 . . . . 10.0 110.546 179.301 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 42.3 mtt180 -62.96 -41.83 99.64 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.781 -0.451 . . . . 10.0 109.781 179.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -67.18 -37.45 83.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.065 -0.516 . . . . 10.0 109.966 178.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -67.76 -43.67 79.32 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.712 -0.676 . . . . 10.0 109.534 178.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 96.6 mmm -70.42 -35.28 73.32 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.254 -0.885 . . . . 10.0 113.172 -178.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 2.5 p -63.84 -48.89 74.97 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.529 -0.545 . . . . 10.0 109.529 179.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -64.13 -36.55 84.4 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.694 -0.684 . . . . 10.0 109.22 178.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -63.77 -56.18 17.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.138 -0.937 . . . . 10.0 110.391 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 445' ' ' LEU . . . . . 0.401 ' O ' ' HG3' ' D' ' 449' ' ' LYS . 79.6 mt -60.34 -46.32 90.35 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.299 0.481 . . . . 10.0 112.299 -179.113 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -60.91 -44.94 96.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.121 0.486 . . . . 10.0 110.637 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 447' ' ' GLU . . . . . 0.866 ' HB3' HH21 ' A' ' 330' ' ' ARG . 20.2 tt0 -72.01 -27.63 62.86 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.197 179.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 448' ' ' VAL . . . . . 0.411 HG23 HH22 ' A' ' 330' ' ' ARG . 2.0 t -61.9 -42.15 93.58 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.307 0 N-CA-C 108.895 -0.78 . . . . 10.0 108.895 178.47 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 449' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' D' ' 445' ' ' LEU . 78.3 mttt -65.36 -38.58 90.49 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.232 -0.655 . . . . 10.0 109.232 178.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -79.06 5.07 12.73 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.579 -0.737 . . . . 10.0 111.288 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 451' ' ' LYS . . . . . 0.562 ' O ' ' HB2' ' D' ' 455' ' ' TYR . 60.0 mttm -121.19 -48.84 2.2 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.588 179.602 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 96.7 t -63.94 -40.79 90.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.477 -0.329 . . . . 10.0 111.366 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -56.97 -59.3 12.99 Favored Pre-proline 0 CA--C 1.535 0.371 0 C-N-CA 120.895 -0.322 . . . . 10.0 111.478 179.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -67.28 -30.31 37.4 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 121.779 1.652 . . . . 10.0 111.796 178.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 455' ' ' TYR . . . . . 0.562 ' HB2' ' O ' ' D' ' 451' ' ' LYS . 3.6 t80 -68.78 -40.84 79.46 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-O 120.561 0.22 . . . . 10.0 110.579 179.419 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 456' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' D' ' 456' ' ' LEU . 17.5 mt -65.58 -40.65 92.99 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 109.025 -0.732 . . . . 10.0 109.025 178.569 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -65.24 -44.46 88.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.486 -0.779 . . . . 10.0 109.514 178.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -62.53 -45.74 91.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.691 -0.686 . . . . 10.0 110.257 179.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.72 -40.66 88.5 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.517 178.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 460' ' ' GLN . . . . . 0.489 ' HA ' ' HB2' ' D' ' 463' ' ' TRP . 52.3 mt-30 -64.8 -29.24 70.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.765 0.317 . . . . 10.0 110.202 178.686 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 461' ' ' LYS . . . . . 0.436 ' O ' ' HG3' ' D' ' 465' ' ' GLU . 40.7 mttt -65.14 -45.34 85.42 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 108.339 -0.986 . . . . 10.0 108.339 177.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 27.1 mtmm -71.74 -35.39 70.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.182 -0.917 . . . . 10.0 110.01 178.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 463' ' ' TRP . . . . . 0.489 ' HB2' ' HA ' ' D' ' 460' ' ' GLN . 13.1 m0 -63.65 -39.81 95.29 Favored 'General case' 0 CA--C 1.518 -0.254 0 N-CA-C 109.267 -0.642 . . . . 10.0 109.267 178.317 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -63.81 -44.22 93.93 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 108.953 -0.758 . . . . 10.0 108.953 178.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 465' ' ' GLU . . . . . 0.481 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 27.0 mt-10 -57.61 -52.29 66.02 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 108.751 -0.833 . . . . 10.0 108.751 177.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -55.61 -47.61 76.25 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 115.554 -0.748 . . . . 10.0 110.487 179.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 2.7 mtm -61.99 -46.91 87.18 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.378 -0.374 . . . . 10.0 111.125 179.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -65.69 -34.42 78.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.842 0.353 . . . . 10.0 110.088 179.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 469' ' ' LEU . . . . . 0.656 HD21 ' HG3' ' A' ' 308' ' ' ARG . 64.0 mt -68.08 -38.5 82.44 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 115.89 -0.595 . . . . 10.0 109.575 178.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 11.4 m-30 -63.33 -41.61 98.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.112 0.482 . . . . 10.0 110.105 178.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 471' ' ' ARG . . . . . 0.877 ' HA ' ' HG3' ' D' ' 475' ' ' GLU . 81.5 mtt180 -72.81 -13.84 61.39 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.74 179.284 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -116.99 24.71 11.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.391 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 473' ' ' LYS . . . . . 0.534 ' HB2' ' O ' ' D' ' 469' ' ' LEU . 3.2 mttp -153.79 -66.82 0.14 Allowed 'General case' 0 C--O 1.221 -0.41 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.071 179.309 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 99.7 t -58.82 -44.75 91.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.83 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 475' ' ' GLU . . . . . 0.877 ' HG3' ' HA ' ' D' ' 471' ' ' ARG . 10.9 mt-10 -60.99 -58.69 17.43 Favored Pre-proline 0 CA--C 1.535 0.366 0 N-CA-C 111.675 0.25 . . . . 10.0 111.675 179.152 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 476' ' ' PRO . . . . . 0.773 ' HD3' ' HB2' ' D' ' 475' ' ' GLU . 52.3 Cg_exo -56.62 -38.29 95.85 Favored 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 121.851 1.701 . . . . 10.0 110.951 178.309 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 477' ' ' LEU . . . . . 0.469 HD21 ' HG3' ' A' ' 297' ' ' LYS . 34.4 mt -67.47 -31.81 72.22 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 116.3 -0.409 . . . . 10.0 110.098 179.087 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 478' ' ' ARG . . . . . 0.403 ' O ' ' HB2' ' D' ' 482' ' ' GLN . 28.8 mtt180 -64.71 -38.82 92.28 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 109.61 -0.515 . . . . 10.0 109.61 178.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -70.61 -43.32 69.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.766 -0.652 . . . . 10.0 109.497 178.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -61.96 -46.17 90.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.639 -0.71 . . . . 10.0 109.584 178.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 57.3 mt -70.75 -27.53 64.01 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.85 179.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 482' ' ' GLN . . . . . 0.403 ' HB2' ' O ' ' D' ' 478' ' ' ARG . 0.9 OUTLIER -67.53 -42.87 82.06 Favored 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 107.884 -1.154 . . . . 10.0 107.884 178.22 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -66.87 -44.25 81.4 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 108.641 -0.874 . . . . 10.0 108.641 178.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -62.01 -36.43 92.88 Favored Glycine 0 N--CA 1.447 -0.601 0 N-CA-C 111.086 -0.806 . . . . 10.0 111.086 178.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -69.94 -36.32 75.2 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.931 -0.396 . . . . 10.0 109.931 178.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 69.7 mtt180 -66.46 -41.57 88.85 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 108.747 -0.834 . . . . 10.0 108.747 178.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -65.34 -45.62 83.5 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 108.623 -0.88 . . . . 10.0 108.623 178.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 488' ' ' LYS . . . . . 0.493 ' O ' ' HG ' ' D' ' 492' ' ' LEU . 87.2 tttt -59.03 -44.07 91.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.519 -0.764 . . . . 10.0 109.953 179.054 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 489' ' ' LEU . . . . . 0.418 ' O ' ' HG3' ' D' ' 493' ' ' GLN . 2.5 mt -63.54 -39.53 94.65 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.971 -0.559 . . . . 10.0 109.815 178.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 16.1 t-160 -64.1 -45.48 88.45 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 108.791 -0.818 . . . . 10.0 108.791 178.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -58.02 -45.19 87.3 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 108.942 -0.762 . . . . 10.0 108.942 178.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 492' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' D' ' 488' ' ' LYS . 92.6 mt -64.57 -39.73 94.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.546 -0.752 . . . . 10.0 111.38 179.319 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 493' ' ' GLN . . . . . 0.418 ' HG3' ' O ' ' D' ' 489' ' ' LEU . 87.9 mt-30 -57.72 -43.07 85.03 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.045 0.45 . . . . 10.0 110.578 179.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -76.86 14.2 0.89 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.471 -0.786 . . . . 10.0 111.505 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 495' ' ' LYS . . . . . 0.756 ' HE3' HD22 ' A' ' 279' ' ' LEU . 18.1 mttp -131.49 -46.15 0.98 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.209 178.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 496' ' ' LEU . . . . . 0.56 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 82.5 mt -64.28 -25.94 68.27 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.112 -0.495 . . . . 10.0 111.022 179.564 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 497' ' ' SER . . . . . 0.559 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 2.3 m -84.52 -65.46 0.22 Allowed Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 116.434 -0.348 . . . . 10.0 111.845 179.47 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 498' ' ' PRO . . . . . 0.559 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 24.9 Cg_endo -62.89 -56.83 0.51 Allowed 'Trans proline' 0 C--N 1.358 1.056 0 C-N-CA 121.658 1.572 . . . . 10.0 112.438 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 499' ' ' LEU . . . . . 0.422 ' HB2' ' O ' ' D' ' 495' ' ' LYS . 10.1 mt -69.21 -29.96 68.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.471 0.177 . . . . 10.0 110.78 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 500' ' ' GLY . . . . . 0.56 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -64.35 -51.5 51.99 Favored Glycine 0 N--CA 1.449 -0.462 0 N-CA-C 111.431 -0.668 . . . . 10.0 111.431 179.377 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -70.87 -30.67 67.11 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.999 -0.371 . . . . 10.0 109.999 178.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 502' ' ' GLU . . . . . 0.576 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 31.3 tt0 -64.78 -46.59 81.45 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.018 -0.537 . . . . 10.0 109.619 179.037 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 503' ' ' MET . . . . . 0.535 ' HA ' ' HD2' ' D' ' 506' ' ' ARG . 74.4 mmm -61.66 -38.12 86.59 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 116.22 -0.445 . . . . 10.0 109.884 179.045 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 504' ' ' ARG . . . . . 0.444 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 51.3 mtt180 -66.06 -37.06 84.88 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.146 178.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 505' ' ' ASP . . . . . 0.418 ' O ' ' HB2' ' D' ' 508' ' ' ARG . 18.7 t70 -69.93 -36.24 75.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.303 0.573 . . . . 10.0 109.634 178.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 506' ' ' ARG . . . . . 0.576 ' HG3' ' O ' ' D' ' 502' ' ' GLU . 65.3 mtt180 -63.3 -45.68 90.23 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 107.365 -1.346 . . . . 10.0 107.365 177.287 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -59.39 -37.69 78.61 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 115.23 -0.896 . . . . 10.0 109.749 179.021 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 508' ' ' ARG . . . . . 0.444 ' HG3' ' O ' ' D' ' 504' ' ' ARG . 70.6 mtt180 -59.42 -45.75 90.67 Favored 'General case' 0 C--O 1.224 -0.279 0 N-CA-C 108.722 -0.844 . . . . 10.0 108.722 178.075 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 509' ' ' ALA . . . . . 0.566 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -65.53 -34.97 79.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.826 -0.625 . . . . 10.0 110.547 179.669 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 510' ' ' HIS . . . . . 0.509 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 41.6 m-70 -68.37 -48.41 64.83 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.085 0.469 . . . . 10.0 109.77 178.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 511' ' ' VAL . . . . . 0.443 ' O ' ' HG3' ' D' ' 515' ' ' ARG . 75.7 t -65.31 -41.91 92.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.709 -0.678 . . . . 10.0 110.246 179.539 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 512' ' ' ASP . . . . . 0.491 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 20.8 t0 -61.26 -37.52 83.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.165 179.395 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 513' ' ' ALA . . . . . 0.595 ' HB2' ' NZ ' ' A' ' 264' ' ' LYS . . . -66.49 -46.59 75.77 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.197 -0.668 . . . . 10.0 109.197 178.364 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 514' ' ' LEU . . . . . 0.628 ' HA ' ' HB2' ' D' ' 517' ' ' HIS . 69.7 mt -58.18 -23.65 56.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.522 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 515' ' ' ARG . . . . . 0.491 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 78.9 mtt180 -67.75 -25.5 65.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.968 0.413 . . . . 10.0 110.088 178.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 2.5 m -112.23 -13.92 13.42 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.159 0.504 . . . . 10.0 110.058 179.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 517' ' ' HIS . . . . . 0.628 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 16.9 m170 -91.15 -56.76 3.03 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.928 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 59.1 mt -90.3 -49.71 6.38 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 113.363 0.875 . . . . 10.0 113.363 -177.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 519' ' ' ALA . . . . . 0.684 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -46.3 -60.11 4.06 Favored Pre-proline 0 N--CA 1.47 0.558 0 N-CA-C 113.715 1.006 . . . . 10.0 113.715 -178.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 520' ' ' PRO . . . . . 0.684 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 31.5 Cg_exo -62.97 -30.72 76.95 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.002 1.802 . . . . 10.0 111.338 179.195 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 521' ' ' TYR . . . . . 0.412 ' HB2' ' O ' ' D' ' 517' ' ' HIS . 9.9 t80 -64.83 -41.27 95.88 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.859 -0.609 . . . . 10.0 110.35 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 522' ' ' SER . . . . . 0.41 ' O ' ' HG3' ' D' ' 526' ' ' ARG . 0.0 OUTLIER -62.11 -37.3 84.58 Favored 'General case' 0 CA--C 1.52 -0.176 0 N-CA-C 109.938 -0.393 . . . . 10.0 109.938 178.753 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 523' ' ' ASP . . . . . 0.733 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 16.0 t70 -67.17 -37.82 84.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.22 0.533 . . . . 10.0 109.815 179.065 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -71.54 -35.17 70.56 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 108.662 -0.866 . . . . 10.0 108.662 178.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 525' ' ' LEU . . . . . 0.464 HD23 ' HD2' ' D' ' 528' ' ' ARG . 16.3 mt -64.19 -32.59 74.23 Favored 'General case' 0 C--O 1.22 -0.469 0 N-CA-C 108.784 -0.821 . . . . 10.0 108.784 178.078 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 526' ' ' ARG . . . . . 0.733 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 87.6 mtt180 -64.03 -37.19 86.52 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.274 -0.639 . . . . 10.0 109.274 178.423 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -67.43 -41.12 85.3 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.288 -0.634 . . . . 10.0 109.288 178.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 528' ' ' ARG . . . . . 0.595 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 93.7 mtt180 -67.23 -48.39 67.95 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.362 -0.835 . . . . 10.0 109.488 179.041 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 82.9 mt -62.7 -28.23 69.8 Favored 'General case' 0 C--O 1.222 -0.374 0 CA-C-N 115.835 -0.62 . . . . 10.0 110.592 179.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -65.68 -37.78 87.44 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.089 -0.708 . . . . 10.0 109.089 178.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -73.32 -39.62 65.13 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.754 -0.832 . . . . 10.0 108.754 178.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 7.7 ttm180 -62.37 -45.23 94.13 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.348 -0.842 . . . . 10.0 109.05 178.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 533' ' ' LEU . . . . . 0.411 ' O ' ' HG3' ' D' ' 537' ' ' LYS . 31.6 mt -64.15 -42.01 96.94 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.936 -0.574 . . . . 10.0 109.946 178.684 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -60.02 -43.08 95.51 Favored 'General case' 0 CA--C 1.522 -0.108 0 CA-C-N 116.096 -0.502 . . . . 10.0 109.975 179.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -65.13 -37.32 87.05 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 109.336 -0.616 . . . . 10.0 109.336 178.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 76.3 mt -71.97 -22.57 61.42 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.936 -0.574 . . . . 10.0 110.397 178.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 537' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' D' ' 533' ' ' LEU . 96.5 mttt -83.72 -37.89 22.11 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.757 -0.831 . . . . 10.0 108.757 178.372 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 22.3 tp10 -68.54 -57.81 5.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.368 -0.833 . . . . 10.0 109.518 178.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -67.67 -34.16 76.36 Favored 'General case' 0 CA--C 1.514 -0.425 0 N-CA-C 109.188 -0.671 . . . . 10.0 109.188 179.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -63.54 -48.82 74.44 Favored Glycine 0 N--CA 1.451 -0.351 0 CA-C-N 115.772 -0.649 . . . . 10.0 111.644 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -64.13 -42.97 97.84 Favored Glycine 0 N--CA 1.445 -0.708 0 N-CA-C 111.072 -0.811 . . . . 10.0 111.072 179.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -61.97 -49.88 74.34 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 110.04 -0.356 . . . . 10.0 110.04 178.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 60.7 mtt180 -60.81 -30.01 69.81 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-N 116.189 -0.459 . . . . 10.0 110.827 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 14.7 mt -64.32 -46.0 85.42 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.39 -0.596 . . . . 10.0 109.39 178.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -66.08 -44.24 85.02 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 109.351 -0.611 . . . . 10.0 109.351 179.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 546' ' ' GLU . . . . . 0.437 ' O ' ' HB2' ' D' ' 550' ' ' LYS . 67.7 mt-10 -59.86 -45.01 93.78 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-N 115.533 -0.758 . . . . 10.0 109.922 178.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -66.16 -40.7 90.71 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.923 179.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -62.02 -42.24 98.94 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 109.683 -0.488 . . . . 10.0 109.683 178.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -69.31 -47.36 64.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.616 -0.72 . . . . 10.0 109.288 178.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 550' ' ' LYS . . . . . 0.634 ' HD3' HG22 ' A' ' 224' ' ' VAL . 0.0 OUTLIER -59.58 -37.28 78.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.879 -0.6 . . . . 10.0 110.965 179.812 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -65.02 -42.29 94.55 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 116.117 -0.492 . . . . 10.0 109.866 179.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 5.8 m -69.56 -41.66 75.58 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.121 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 78.2 mt-10 -61.33 -47.4 86.07 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 108.928 -0.768 . . . . 10.0 108.928 178.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 554' ' ' HIS . . . . . 0.408 ' O ' ' HG ' ' D' ' 558' ' ' LEU . 32.4 t60 -62.87 -44.01 97.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.41 -0.814 . . . . 10.0 109.936 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 23.7 tp -61.21 -36.95 81.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.108 0.48 . . . . 10.0 109.723 179.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 44.0 m -65.8 -47.98 73.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.777 -0.647 . . . . 10.0 109.785 179.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 1.5 p -66.73 -31.21 71.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.79 0.329 . . . . 10.0 110.341 178.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 558' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' D' ' 554' ' ' HIS . 38.2 mt -66.49 -56.71 9.6 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.075 178.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 5.4 p -65.24 -31.19 72.23 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 116.512 -0.313 . . . . 10.0 111.556 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -62.72 -32.86 74.05 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.154 -0.475 . . . . 10.0 109.722 178.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 561' ' ' LYS . . . . . 0.522 ' HA ' ' HE3' ' D' ' 561' ' ' LYS . 0.0 OUTLIER -93.84 -36.59 12.17 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.342 179.829 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -55.03 -47.75 74.33 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.665 0.617 . . . . 10.0 112.665 -178.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 563' ' ' LYS . . . . . 0.523 ' O ' ' HG2' ' D' ' 567' ' ' GLU . 98.4 mttt -54.97 -63.74 2.67 Favored Pre-proline 0 CA--C 1.531 0.222 0 N-CA-C 112.383 0.512 . . . . 10.0 112.383 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 564' ' ' PRO . . . . . 0.439 ' O ' ' HB2' ' D' ' 568' ' ' ASP . 20.2 Cg_endo -62.49 -29.07 78.28 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 122.114 1.876 . . . . 10.0 112.465 179.674 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -70.91 -53.51 14.79 Favored 'General case' 0 C--O 1.222 -0.381 0 C-N-CA 121.127 -0.229 . . . . 10.0 110.799 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 62.8 mt -59.67 -43.26 94.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.756 -0.202 . . . . 10.0 110.964 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 567' ' ' GLU . . . . . 0.523 ' HG2' ' O ' ' D' ' 563' ' ' LYS . 62.0 mm-40 -62.45 -51.55 67.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.379 -0.373 . . . . 10.0 110.493 179.421 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 568' ' ' ASP . . . . . 0.439 ' HB2' ' O ' ' D' ' 564' ' ' PRO . 0.4 OUTLIER -65.32 -36.61 84.57 Favored 'General case' 0 CA--C 1.521 -0.14 0 CA-C-O 120.788 0.328 . . . . 10.0 111.492 -179.763 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 23.0 mt -62.02 -46.26 89.99 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.752 -0.462 . . . . 10.0 109.752 178.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 570' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' D' ' 570' ' ' ARG . 25.8 mtt85 -68.77 -43.63 75.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.352 -0.386 . . . . 10.0 110.237 179.208 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -64.12 -19.26 65.14 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.301 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -96.84 -33.12 6.2 Favored Glycine 0 N--CA 1.443 -0.834 0 N-CA-C 110.662 -0.975 . . . . 10.0 110.662 178.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 573' ' ' LEU . . . . . 0.582 ' HA ' HG12 ' D' ' 576' ' ' VAL . 11.1 mt -73.8 -41.12 62.82 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 122.344 0.258 . . . . 10.0 111.627 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 574' ' ' LEU . . . . . 0.464 ' HB2' ' HD3' ' D' ' 575' ' ' PRO . 96.1 mt -50.32 -60.18 5.77 Favored Pre-proline 0 CA--C 1.537 0.459 0 N-CA-C 112.455 0.539 . . . . 10.0 112.455 -179.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 575' ' ' PRO . . . . . 0.464 ' HD3' ' HB2' ' D' ' 574' ' ' LEU . 44.0 Cg_endo -70.45 -30.03 19.67 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 121.851 1.701 . . . . 10.0 112.342 179.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 576' ' ' VAL . . . . . 0.582 HG12 ' HA ' ' D' ' 573' ' ' LEU . 0.4 OUTLIER -70.04 -32.93 53.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 120.558 -0.457 . . . . 10.0 110.74 179.663 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 577' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' D' ' 573' ' ' LEU . 51.1 mt -65.43 -38.73 90.76 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 108.93 -0.767 . . . . 10.0 108.93 178.555 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 578' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' D' ' 574' ' ' LEU . 7.7 mm-40 -63.45 -42.97 98.66 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.948 -0.76 . . . . 10.0 108.948 178.609 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 51.1 m -64.76 -40.46 95.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.705 -0.679 . . . . 10.0 110.087 178.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -63.98 -40.69 96.95 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.101 -0.5 . . . . 10.0 109.818 178.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 581' ' ' LYS . . . . . 0.431 ' HG3' ' O ' ' D' ' 577' ' ' LEU . 95.7 mttt -56.95 -47.86 79.7 Favored 'General case' 0 C--O 1.225 -0.197 0 CA-C-N 115.866 -0.607 . . . . 10.0 109.89 179.128 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 60.5 t -59.34 -43.48 90.19 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.715 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 1.4 p -71.96 -27.48 62.81 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.088 0.47 . . . . 10.0 111.223 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 584' ' ' PHE . . . . . 0.433 ' O ' ' HG ' ' D' ' 588' ' ' LEU . 9.1 m-85 -79.58 -44.71 20.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.766 179.095 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 88.6 mt -60.51 -46.86 88.57 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.794 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 8.2 p -62.05 -34.81 76.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.232 0.539 . . . . 10.0 110.158 179.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 587' ' ' ALA . . . . . 0.621 ' HA ' ' HE2' ' A' ' 396' ' ' LYS . . . -68.61 -47.64 66.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.735 -0.666 . . . . 10.0 109.736 179.055 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 588' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' D' ' 584' ' ' PHE . 71.5 mt -57.76 -48.41 79.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 10.0 111.009 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -57.84 -50.11 74.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.832 -0.622 . . . . 10.0 111.422 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -68.64 -41.89 78.76 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.809 0.67 . . . . 10.0 112.809 -179.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -59.82 -40.07 87.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.778 0.323 . . . . 10.0 110.975 179.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 19.0 m -68.64 -29.58 68.1 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.096 0.474 . . . . 10.0 110.452 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -75.35 -36.93 60.9 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.087 0.47 . . . . 10.0 110.601 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 594' ' ' LYS . . . . . 0.54 ' HE2' ' HB3' ' A' ' 388' ' ' SER . 11.1 mptt -74.1 -32.11 63.08 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.836 -0.62 . . . . 10.0 111.176 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 95.8 mt -105.08 26.04 9.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.099 -0.501 . . . . 10.0 111.673 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 . . . . . 0 C--N 1.323 -0.577 0 CA-C-N 116.511 -0.313 . . . . 10.0 111.041 -179.954 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--O 1.233 0.202 0 CA-C-O 120.926 0.393 . . . . 10.0 110.512 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' THR . . . . . 0.448 ' HB ' ' CE2' ' B' ' 4' ' ' TYR . 0.0 OUTLIER -116.99 134.11 55.16 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.903 -0.59 . . . . 10.0 109.958 179.223 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -95.01 139.83 30.82 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.418 -0.355 . . . . 10.0 110.993 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' TYR . . . . . 0.448 ' CE2' ' HB ' ' B' ' 2' ' ' THR . 90.0 m-85 -133.94 113.99 12.79 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.288 -0.415 . . . . 10.0 110.74 179.439 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.777 ' HA ' ' HB3' ' B' ' 54' ' ' ASP . 45.8 mttm -79.72 115.46 19.34 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.648 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.517 ' O ' ' HA ' ' B' ' 55' ' ' ILE . 18.8 mt -112.75 111.79 22.82 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.796 -179.01 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 45.6 t -100.41 123.56 53.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 110.056 -0.35 . . . . 10.0 110.056 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.534 HG12 ' HD2' ' B' ' 16' ' ' LYS . 2.9 t -88.62 115.39 28.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.123 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 28.0 m -113.84 146.52 18.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.974 0.416 . . . . 10.0 111.316 -179.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.31 -163.05 34.23 Favored Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 110.818 -0.913 . . . . 10.0 110.818 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -94.74 -177.0 4.05 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.003 0.43 . . . . 10.0 110.984 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -97.29 136.78 37.28 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.022 0.439 . . . . 10.0 110.369 179.356 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 95.94 6.86 59.0 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.72 -0.752 . . . . 10.0 111.772 -179.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.433 ' CG2' ' HG3' ' B' ' 16' ' ' LYS . 33.9 m -89.97 -27.66 5.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.673 0.273 . . . . 10.0 111.654 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 110.06 22.8 6.38 Favored Glycine 0 CA--C 1.518 0.257 0 C-N-CA 120.321 -0.943 . . . . 10.0 114.383 179.101 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . 0.534 ' HD2' HG12 ' B' ' 8' ' ' VAL . 5.8 mtmt -59.44 -33.43 71.26 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.084 0.469 . . . . 10.0 111.908 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 17.4 m -79.97 -43.39 22.14 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.613 -0.514 . . . . 10.0 109.613 179.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.69 -46.7 83.97 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 115.834 -0.621 . . . . 10.0 111.124 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 69.1 mt -57.97 -45.45 86.69 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.102 0.477 . . . . 10.0 110.569 178.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 32.5 m -65.72 -44.22 86.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.439 -0.8 . . . . 10.0 111.578 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 87.7 mt -64.69 -39.35 85.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.333 -0.394 . . . . 10.0 110.607 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' GLN . . . . . 0.554 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 11.6 mm-40 -62.4 -27.47 69.11 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.925 -0.58 . . . . 10.0 111.295 179.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.418 HD22 ' CD2' ' B' ' 156' ' ' PHE . 14.2 tp -86.6 -17.6 33.51 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.9 0.381 . . . . 10.0 110.831 179.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 36.1 mm -97.44 -67.53 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 112.139 0.422 . . . . 10.0 112.139 -179.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -90.2 -11.13 41.95 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.892 0.331 . . . . 10.0 111.892 -178.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . 0.554 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 4.6 m-80 60.18 46.25 10.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.766 -0.652 . . . . 10.0 112.656 179.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -147.06 148.02 31.22 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 116.161 -0.472 . . . . 10.0 109.858 178.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -90.31 138.18 31.74 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.098 0.475 . . . . 10.0 111.687 -179.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 2.7 m -106.44 107.22 22.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.581 -0.736 . . . . 10.0 110.041 179.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -75.29 -25.42 57.91 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.141 -0.482 . . . . 10.0 110.534 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -79.07 130.07 35.12 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.177 -0.675 . . . . 10.0 109.177 179.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -90.27 115.73 27.71 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.355 0.598 . . . . 10.0 110.942 -179.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . 0.452 ' HA ' ' HD3' ' B' ' 34' ' ' PRO . 23.5 t70 -110.71 128.57 25.12 Favored Pre-proline 0 C--N 1.319 -0.736 0 CA-C-N 115.633 -0.712 . . . . 10.0 110.468 179.128 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' B' ' 33' ' ' ASP . 22.0 Cg_exo -66.55 85.14 0.29 Allowed 'Trans proline' 0 C--O 1.233 0.251 0 C-N-CA 122.677 2.251 . . . . 10.0 111.94 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.61 109.43 7.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.778 -0.646 . . . . 10.0 110.342 179.468 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.7 ' HA ' ' HB2' ' B' ' 59' ' ' ALA . 47.4 mm -85.44 -50.38 14.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.855 0.359 . . . . 10.0 110.532 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -160.79 106.22 1.42 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.004 -0.543 . . . . 10.0 110.53 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -144.6 134.08 23.28 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.285 -0.416 . . . . 10.0 109.911 179.706 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 6.1 p -116.26 162.94 16.73 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.379 -0.373 . . . . 10.0 111.168 -179.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -140.52 148.64 41.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.347 -179.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -117.79 133.13 56.25 Favored 'General case' 0 C--O 1.236 0.376 0 O-C-N 123.32 0.388 . . . . 10.0 110.243 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . 0.441 ' HE3' ' CG1' ' B' ' 44' ' ' VAL . 46.4 tttp -150.2 142.21 23.94 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 110.132 -0.322 . . . . 10.0 110.132 -179.03 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -117.86 120.88 39.24 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.834 -0.432 . . . . 10.0 109.834 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . 0.441 ' CG1' ' HE3' ' B' ' 42' ' ' LYS . 3.6 m -134.5 159.14 42.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.99 0.424 . . . . 10.0 112.094 -179.214 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 9.7 t -97.32 89.63 2.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 109.285 -0.635 . . . . 10.0 109.285 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 49.9 mt -89.19 119.58 36.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.597 -178.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . 0.704 ' HB3' ' HB2' ' C' ' 132' ' ' ASP . 9.3 m-20 68.66 -71.73 0.11 Allowed 'General case' 0 N--CA 1.468 0.471 0 O-C-N 123.84 0.712 . . . . 10.0 110.712 -179.65 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -164.16 15.42 0.1 Allowed Glycine 0 N--CA 1.449 -0.488 0 N-CA-C 110.569 -1.012 . . . . 10.0 110.569 178.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -128.98 134.61 48.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.806 0.336 . . . . 10.0 110.907 -179.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 18.1 m -81.08 108.91 15.15 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.995 -0.743 . . . . 10.0 108.995 178.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' CYS . . . . . 0.415 ' HB3' ' CD2' ' B' ' 4' ' ' TYR . 6.1 m -107.64 140.06 41.23 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.018 -0.537 . . . . 10.0 112.056 -178.499 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 36.3 tp -97.46 115.71 28.3 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.529 -0.915 . . . . 10.0 108.529 178.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 29.6 mt -82.7 120.36 25.49 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.912 -0.585 . . . . 10.0 112.257 -178.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . 0.777 ' HB3' ' HA ' ' B' ' 5' ' ' LYS . 16.2 t70 -108.97 63.88 0.61 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.727 -1.212 . . . . 10.0 107.727 178.17 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' ILE . . . . . 0.517 ' HA ' ' O ' ' B' ' 6' ' ' LEU . 42.3 mt -78.7 140.71 16.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 114.7 -1.136 . . . . 10.0 112.535 -177.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 11.3 tp -144.78 123.29 12.43 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.532 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -103.24 129.53 50.21 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.849 -0.426 . . . . 10.0 109.849 179.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . 0.59 HG21 ' CE1' ' B' ' 71' ' ' TYR . 0.0 OUTLIER -109.76 162.07 14.81 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.615 -0.266 . . . . 10.0 110.601 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' ALA . . . . . 0.7 ' HB2' ' HA ' ' B' ' 36' ' ' ILE . . . -71.49 121.95 19.57 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.376 0.607 . . . . 10.0 112.043 -179.112 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -93.46 35.92 3.94 Favored Glycine 0 N--CA 1.449 -0.483 0 N-CA-C 110.781 -0.927 . . . . 10.0 110.781 178.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . 0.426 HE21 ' HB3' ' B' ' 61' ' ' GLN . 15.0 mt-30 -96.68 11.06 36.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.555 -0.323 . . . . 10.0 111.182 -179.174 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 65.75 -172.49 0.19 Allowed 'General case' 0 N--CA 1.464 0.273 0 O-C-N 123.693 0.62 . . . . 10.0 112.19 -179.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 66.19 28.81 10.0 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.711 0.767 . . . . 10.0 110.184 -178.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' TYR . . . . . 0.483 ' HB3' ' HB3' ' B' ' 67' ' ' MET . 38.3 m-85 -130.72 37.75 3.78 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.337 -0.847 . . . . 10.0 110.13 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.71 -44.49 90.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.84 -0.618 . . . . 10.0 111.029 179.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.07 -38.27 61.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.106 0.479 . . . . 10.0 110.691 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . 0.483 ' HB3' ' HB3' ' B' ' 64' ' ' TYR . 43.0 tpp -66.22 -33.84 76.67 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.67 179.592 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' ARG . . . . . 0.443 ' HA ' ' CZ ' ' B' ' 71' ' ' TYR . 1.5 tpp180 -57.1 -47.83 80.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.73 -0.668 . . . . 10.0 110.836 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.84 -21.06 65.66 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.666 -0.697 . . . . 10.0 112.383 -179.029 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -75.65 -67.25 0.69 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.925 0.713 . . . . 10.0 112.925 -178.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' TYR . . . . . 0.59 ' CE1' HG21 ' B' ' 58' ' ' THR . 18.7 p90 -67.62 -23.95 65.42 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 113.878 1.066 . . . . 10.0 113.878 -178.024 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . 0.415 ' HG2' ' CE1' ' B' ' 78' ' ' PHE . 43.8 mtt -70.04 -25.49 63.59 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 111.79 0.293 . . . . 10.0 111.79 -179.552 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -71.2 -44.78 64.74 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.057 0.456 . . . . 10.0 110.939 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 4.1 m -79.02 -23.85 44.05 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.941 -0.572 . . . . 10.0 112.38 -179.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -63.26 133.57 42.5 Favored Glycine 0 CA--C 1.521 0.407 0 C-N-CA 121.326 -0.464 . . . . 10.0 113.619 -179.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -91.1 -54.18 4.05 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.869 -0.419 . . . . 10.0 109.869 179.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -118.18 142.74 17.25 Favored Glycine 0 N--CA 1.446 -0.684 0 N-CA-C 110.923 -0.871 . . . . 10.0 110.923 179.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . 0.592 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 95.4 m-85 -116.74 124.42 49.6 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.415 0.626 . . . . 10.0 112.052 -178.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.463 HD12 ' HB ' ' B' ' 112' ' ' VAL . 13.1 tp -97.85 110.37 22.95 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.617 -0.72 . . . . 10.0 109.74 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . 0.436 ' HB3' HD12 ' B' ' 93' ' ' ILE . 21.5 m -86.61 99.29 11.61 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.845 -0.428 . . . . 10.0 109.845 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 94.5 t -105.55 122.66 59.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 112.215 0.45 . . . . 10.0 112.215 -179.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 43.1 p90 -129.71 165.24 22.25 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.038 -0.727 . . . . 10.0 109.038 178.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.43 ' HB1' ' OD1' ' B' ' 85' ' ' ASN . . . -103.97 135.0 46.31 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 110.318 -0.253 . . . . 10.0 110.318 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . 0.591 HD13 ' HA ' ' B' ' 118' ' ' CYS . 16.3 pt -68.27 -14.05 17.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.886 0.374 . . . . 10.0 111.305 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . 0.43 ' OD1' ' HB1' ' B' ' 83' ' ' ALA . 22.3 p-10 -105.64 14.12 28.88 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.261 179.332 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -135.58 97.2 3.61 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.287 0.565 . . . . 10.0 110.784 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.36 -32.68 73.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.943 -0.571 . . . . 10.0 111.863 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 20.2 tptp -62.74 -44.91 94.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.338 -0.392 . . . . 10.0 110.73 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . 0.473 ' O ' HG12 ' B' ' 93' ' ' ILE . 90.2 p -64.35 -35.02 79.52 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.838 0.352 . . . . 10.0 111.792 -179.36 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -63.2 -46.1 88.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.805 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -74.05 -33.67 63.79 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.034 -0.53 . . . . 10.0 111.136 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.91 -27.92 67.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.951 -0.568 . . . . 10.0 111.436 -179.45 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 93' ' ' ILE . . . . . 0.473 HG12 ' O ' ' B' ' 89' ' ' SER . 34.7 mm -59.43 -39.36 78.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.054 179.729 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -62.3 -41.61 98.66 Favored 'General case' 0 C--O 1.232 0.179 0 N-CA-C 109.964 -0.384 . . . . 10.0 109.964 179.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 70.8 m-70 -63.47 -40.14 96.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.872 -0.604 . . . . 10.0 110.195 179.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -65.26 -41.03 94.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.87 -0.604 . . . . 10.0 109.794 178.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -57.66 -46.89 83.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.729 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -66.09 -35.4 80.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.758 -0.656 . . . . 10.0 110.633 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 99' ' ' GLN . . . . . 0.441 ' O ' HG23 ' B' ' 103' ' ' VAL . 2.0 tp60 -64.72 -51.9 59.96 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.55 179.372 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 68.3 mt -55.82 -45.35 79.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-N 116.028 -0.533 . . . . 10.0 111.076 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 14.6 mtmt -60.92 -34.08 74.14 Favored 'General case' 0 CA--C 1.522 -0.113 0 CA-C-N 116.11 -0.496 . . . . 10.0 111.943 -179.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -78.77 -42.05 28.97 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.461 -0.336 . . . . 10.0 111.128 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 103' ' ' VAL . . . . . 0.441 HG23 ' O ' ' B' ' 99' ' ' GLN . 97.1 t -63.57 -51.99 63.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.504 -0.316 . . . . 10.0 111.538 -179.533 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -81.91 -23.06 36.45 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.437 0.532 . . . . 10.0 112.437 -178.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 25.0 t70 63.15 79.64 0.25 Allowed 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 116.066 -0.515 . . . . 10.0 110.654 -179.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 33.3 t -170.96 150.01 3.05 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.748 -0.66 . . . . 10.0 109.59 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -90.68 -23.96 20.59 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.592 0.711 . . . . 10.0 109.223 178.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.86 113.43 26.91 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.434 -0.803 . . . . 10.0 109.842 179.36 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . 0.405 ' HA ' ' HD3' ' B' ' 110' ' ' PRO . 88.0 t -133.24 127.27 19.85 Favored Pre-proline 0 C--N 1.325 -0.461 0 N-CA-C 109.331 -0.618 . . . . 10.0 109.331 -179.492 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 110' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 20.5 Cg_exo -66.72 101.93 0.59 Allowed 'Trans proline' 0 C--O 1.236 0.406 0 C-N-CA 122.796 2.331 . . . . 10.0 111.613 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 111' ' ' MET . . . . . 0.592 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 43.6 mtm -132.49 155.43 48.59 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.811 -0.632 . . . . 10.0 111.095 -179.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . 0.463 ' HB ' HD12 ' B' ' 79' ' ' LEU . 77.5 t -136.39 128.68 45.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 108.839 -0.8 . . . . 10.0 108.839 179.203 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 15.2 tp -87.41 113.65 23.3 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.513 -0.551 . . . . 10.0 109.513 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 89.4 t -119.88 122.13 67.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-O 121.076 0.465 . . . . 10.0 111.82 -178.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -99.66 124.91 8.39 Favored Glycine 0 N--CA 1.442 -0.954 0 N-CA-C 109.552 -1.419 . . . . 10.0 109.552 178.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -105.85 164.18 12.14 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 117.071 0.435 . . . . 10.0 111.196 -179.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . 0.443 ' HB3' HD12 ' B' ' 120' ' ' LEU . 45.7 mttm 69.52 30.8 3.92 Favored 'General case' 0 N--CA 1.461 0.111 0 O-C-N 123.853 0.721 . . . . 10.0 111.762 179.364 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 118' ' ' CYS . . . . . 0.591 ' HA ' HD13 ' B' ' 84' ' ' ILE . 88.4 m -66.53 -19.92 65.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.326 -0.397 . . . . 10.0 111.663 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.03 -13.94 60.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.3 -0.409 . . . . 10.0 111.437 179.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . 0.443 HD12 ' HB3' ' B' ' 117' ' ' LYS . 63.0 mt -76.93 139.93 66.36 Favored Pre-proline 0 N--CA 1.454 -0.26 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.685 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_endo -80.24 164.11 22.04 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 122.666 2.244 . . . . 10.0 112.204 179.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 1.4 m 59.54 57.36 3.31 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.786 -0.643 . . . . 10.0 111.253 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 123' ' ' ARG . . . . . 0.54 ' HB3' HD12 ' B' ' 84' ' ' ILE . 6.7 ptp180 -62.64 131.57 49.43 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.894 -0.594 . . . . 10.0 111.73 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 1.8 m -82.66 -40.99 19.95 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.596 -0.729 . . . . 10.0 109.503 179.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 62.7 t -93.92 129.44 44.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.064 -0.516 . . . . 10.0 109.726 179.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 126' ' ' ASP . . . . . 0.445 ' O ' ' HG2' ' B' ' 129' ' ' GLN . 8.1 t70 -88.07 142.71 27.56 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.183 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . 0.638 HG23 ' HE2' ' B' ' 141' ' ' PHE . 9.9 m -62.4 -39.31 92.83 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.279 -0.418 . . . . 10.0 111.499 -179.276 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -61.72 -44.66 96.49 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.18 0.437 . . . . 10.0 112.18 -178.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . 0.445 ' HG2' ' O ' ' B' ' 126' ' ' ASP . 5.3 pt20 -67.48 -29.75 69.27 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.586 -0.446 . . . . 10.0 111.091 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -74.72 -35.42 62.68 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.553 -0.536 . . . . 10.0 109.553 178.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -65.2 -42.05 93.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.453 179.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -62.55 -41.87 99.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.095 -0.502 . . . . 10.0 109.81 178.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 14.8 tp -64.32 -44.48 91.43 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.861 -0.609 . . . . 10.0 109.564 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.13 -38.85 92.79 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.303 178.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 8.0 ttm180 -64.11 -35.05 79.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.859 -0.609 . . . . 10.0 110.195 179.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 15.7 m -69.08 -36.63 77.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.719 -0.673 . . . . 10.0 110.717 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -79.09 -42.44 26.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.018 0.437 . . . . 10.0 110.26 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 107.67 -1.53 34.21 Favored Glycine 0 N--CA 1.449 -0.449 0 N-CA-C 110.702 -0.959 . . . . 10.0 110.702 -178.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 42.7 pt -90.28 160.16 40.39 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 115.341 -0.429 . . . . 10.0 111.293 -179.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -82.39 152.16 15.64 Favored 'Trans proline' 0 N--CA 1.46 -0.494 0 C-N-CA 123.028 2.485 . . . . 10.0 111.904 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 141' ' ' PHE . . . . . 0.638 ' HE2' HG23 ' B' ' 127' ' ' THR . 45.5 t80 -119.76 128.57 53.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.369 179.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 31.5 mt -129.47 132.17 66.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.466 -0.334 . . . . 10.0 111.363 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -96.88 124.66 40.92 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.051 -0.722 . . . . 10.0 109.051 178.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 27.0 p -142.81 176.01 9.38 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.617 0.599 . . . . 10.0 112.617 -178.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -149.19 119.79 7.47 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-N 114.911 -1.04 . . . . 10.0 108.888 178.433 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -65.74 -38.59 89.54 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.951 0.405 . . . . 10.0 110.55 -179.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 147' ' ' LYS . . . . . 0.468 ' HB3' ' HE2' ' B' ' 147' ' ' LYS . 17.9 ttpt -62.95 -31.52 72.63 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.619 -0.718 . . . . 10.0 112.001 -179.563 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.87 -14.1 30.24 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 112.938 0.718 . . . . 10.0 112.938 -178.553 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 149' ' ' ARG . . . . . 0.747 HH21 ' HB ' ' B' ' 152' ' ' VAL . 3.1 tpm_? 59.15 39.0 23.49 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 121.64 0.733 . . . . 10.0 110.335 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -124.69 131.01 53.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.899 -0.591 . . . . 10.0 111.616 -179.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 77.88 -16.37 6.98 Favored Glycine 0 C--N 1.333 0.373 0 CA-C-N 115.894 -0.593 . . . . 10.0 114.117 178.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 152' ' ' VAL . . . . . 0.747 ' HB ' HH21 ' B' ' 149' ' ' ARG . 45.2 t -60.93 -40.25 84.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 120.807 0.337 . . . . 10.0 111.769 -178.693 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -62.67 -39.57 94.35 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.596 -0.52 . . . . 10.0 109.596 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -70.1 -36.4 74.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.31 -0.859 . . . . 10.0 111.961 -178.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -56.57 -49.45 74.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.522 -0.308 . . . . 10.0 111.105 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 156' ' ' PHE . . . . . 0.418 ' CD2' HD22 ' B' ' 23' ' ' LEU . 72.1 m-85 -68.4 -38.8 81.62 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 116.123 -0.49 . . . . 10.0 110.344 179.532 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -58.34 -42.15 86.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.918 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 23.7 m -64.73 -41.61 95.82 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.725 -0.67 . . . . 10.0 111.62 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 159' ' ' LEU . . . . . 0.417 ' O ' HG13 ' B' ' 163' ' ' ILE . 36.0 tp -60.1 -42.56 94.93 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.928 0.394 . . . . 10.0 110.961 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 96.7 t -65.39 -40.47 88.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.209 0.528 . . . . 10.0 110.483 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 11.3 ttp180 -65.56 -33.61 76.32 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.653 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -65.84 -35.81 81.71 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.496 179.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 163' ' ' ILE . . . . . 0.417 HG13 ' O ' ' B' ' 159' ' ' LEU . 58.0 mt -65.94 -35.52 75.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.086 0.469 . . . . 10.0 110.058 178.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 14.7 mtt85 -67.75 -32.97 73.93 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.326 -0.62 . . . . 10.0 109.326 178.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 18.2 ttmt . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 108.787 -0.82 . . . . 10.0 108.787 178.355 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 CA--C 1.529 0.172 0 CA-C-O 120.732 0.301 . . . . 10.0 110.892 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 2' ' ' THR . . . . . 0.484 ' HB ' ' CE2' ' C' ' 4' ' ' TYR . 0.0 OUTLIER -76.63 126.74 31.51 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 116.577 -0.283 . . . . 10.0 110.296 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -90.09 135.13 33.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.773 0.32 . . . . 10.0 111.013 -179.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 4' ' ' TYR . . . . . 0.484 ' CE2' ' HB ' ' C' ' 2' ' ' THR . 99.1 m-85 -131.43 114.74 15.32 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.132 -0.485 . . . . 10.0 109.826 179.398 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 58.5 mttm -85.39 112.23 20.65 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.907 0.384 . . . . 10.0 110.915 -179.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . 0.477 ' O ' ' HA ' ' C' ' 55' ' ' ILE . 13.7 mt -116.6 129.87 56.41 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.979 -178.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 39.3 t -120.33 130.0 74.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.346 -0.388 . . . . 10.0 110.456 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.685 HG12 ' HD2' ' C' ' 16' ' ' LYS . 3.1 t -95.98 119.69 44.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 109.33 -0.619 . . . . 10.0 109.33 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 29.6 m -120.19 149.72 22.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.9 0.381 . . . . 10.0 111.136 -179.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 153.79 161.47 10.42 Favored Glycine 0 N--CA 1.448 -0.539 0 CA-C-N 115.703 -0.68 . . . . 10.0 111.759 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.52 155.16 22.73 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.015 0.436 . . . . 10.0 111.002 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.17 144.08 40.74 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.905 0.383 . . . . 10.0 110.803 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 97.88 -22.82 38.83 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.458 -0.877 . . . . 10.0 112.835 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 14' ' ' VAL . . . . . 0.455 HG11 ' HB3' ' C' ' 89' ' ' SER . 3.4 m -76.95 -17.43 14.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.78 0.29 . . . . 10.0 111.75 -179.284 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . 0.439 ' O ' ' HG2' ' C' ' 16' ' ' LYS . . . 98.64 118.97 4.05 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.416 -0.897 . . . . 10.0 112.378 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . 0.685 ' HD2' HG12 ' C' ' 8' ' ' VAL . 17.7 mtmm -151.81 -49.47 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.232 0.539 . . . . 10.0 109.832 -179.437 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.08 -43.97 77.35 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 115.71 -0.677 . . . . 10.0 110.034 179.616 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.44 -41.76 85.81 Favored 'General case' 0 CA--C 1.528 0.103 0 CA-C-N 116.222 -0.445 . . . . 10.0 110.793 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 78.6 mt -57.6 -46.65 83.8 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 121.28 0.562 . . . . 10.0 110.34 178.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 5.3 m -70.36 -43.51 70.03 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.458 -0.792 . . . . 10.0 111.024 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 92.5 mt -62.04 -31.72 52.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.276 -0.42 . . . . 10.0 111.056 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 22' ' ' GLN . . . . . 0.573 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 4.1 mm-40 -63.87 -17.49 63.22 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.165 0.431 . . . . 10.0 112.165 179.563 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . 0.779 ' HG ' ' HE2' ' C' ' 42' ' ' LYS . 17.6 tp -104.97 -30.06 10.05 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.22 -0.445 . . . . 10.0 110.216 179.044 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 24' ' ' ILE . . . . . 0.403 HD13 ' HD2' ' C' ' 42' ' ' LYS . 41.6 mm -80.29 -66.02 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.068 -0.515 . . . . 10.0 110.914 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 25' ' ' GLN . . . . . 0.42 ' HB2' ' HD2' ' C' ' 27' ' ' HIS . 75.9 mt-30 -91.34 -10.65 40.51 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.198 -0.455 . . . . 10.0 110.495 -179.558 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 26' ' ' ASN . . . . . 0.573 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 56.2 m-80 60.05 51.56 5.72 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.099 -0.955 . . . . 10.0 113.415 178.223 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 27' ' ' HIS . . . . . 0.42 ' HD2' ' HB2' ' C' ' 25' ' ' GLN . 3.2 p80 -156.25 155.18 31.91 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.755 -0.202 . . . . 10.0 111.345 178.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -94.39 119.43 33.12 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.976 0.417 . . . . 10.0 111.871 -179.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 44.2 t -92.71 99.69 10.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.596 -0.729 . . . . 10.0 109.47 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -77.19 -28.19 53.88 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.061 -0.518 . . . . 10.0 111.794 -179.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -76.41 106.62 8.14 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.352 -0.385 . . . . 10.0 110.422 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -58.85 119.43 7.17 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.101 0.477 . . . . 10.0 111.629 -179.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -131.81 111.54 14.73 Favored Pre-proline 0 C--N 1.32 -0.696 0 CA-C-N 115.824 -0.625 . . . . 10.0 109.944 178.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -48.51 137.71 25.32 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 123.352 2.701 . . . . 10.0 112.699 -179.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.64 95.15 3.42 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.718 -0.673 . . . . 10.0 110.326 -179.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . 0.702 ' HA ' ' HB2' ' C' ' 59' ' ' ALA . 4.5 tt -75.68 -37.63 36.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.898 -0.592 . . . . 10.0 111.501 -179.521 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -155.4 114.42 3.57 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.253 -0.43 . . . . 10.0 110.31 -179.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -158.73 125.37 4.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.501 -0.318 . . . . 10.0 110.241 179.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 1.3 p -119.83 137.33 54.05 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.014 0.435 . . . . 10.0 111.407 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -118.32 143.87 46.28 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.0 -0.546 . . . . 10.0 109.852 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -117.81 132.31 56.46 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.459 -0.337 . . . . 10.0 110.336 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 42' ' ' LYS . . . . . 0.779 ' HE2' ' HG ' ' C' ' 23' ' ' LEU . 59.0 tttp -146.7 135.87 22.62 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.758 -179.378 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . 0.465 ' HG2' HG22 ' C' ' 50' ' ' THR . 11.6 tt0 -108.89 118.39 36.66 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.28 -0.637 . . . . 10.0 109.28 179.44 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 15.1 m -133.98 162.68 38.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.915 0.388 . . . . 10.0 111.777 -179.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 84.8 t -93.61 112.35 26.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.246 -0.434 . . . . 10.0 110.119 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 46' ' ' ILE . . . . . 0.438 HG23 ' HD2' ' C' ' 157' ' ' TYR . 71.9 mt -124.99 124.1 66.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 109.708 -0.478 . . . . 10.0 109.708 179.616 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 63.68 25.74 14.33 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 123.581 0.551 . . . . 10.0 111.453 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 79.28 22.38 65.33 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.886 -0.673 . . . . 10.0 112.142 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -136.81 130.33 31.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.472 0.177 . . . . 10.0 110.642 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 50' ' ' THR . . . . . 0.465 HG22 ' HG2' ' C' ' 43' ' ' GLN . 0.4 OUTLIER -70.27 117.23 11.57 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.406 -0.59 . . . . 10.0 109.406 178.749 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 4.4 m -113.43 135.66 53.64 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.503 -0.317 . . . . 10.0 111.555 -178.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 63.3 tp -98.37 104.13 16.14 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 107.513 -1.291 . . . . 10.0 107.513 178.113 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . 0.402 HD22 HD11 ' C' ' 6' ' ' LEU . 52.3 mt -91.3 126.8 36.49 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 113.023 0.749 . . . . 10.0 113.023 -177.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -107.91 93.93 4.8 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 107.021 -1.474 . . . . 10.0 107.021 177.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 55' ' ' ILE . . . . . 0.477 ' HA ' ' O ' ' C' ' 6' ' ' LEU . 1.8 mp -100.47 129.65 50.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.315 -0.402 . . . . 10.0 111.796 -177.552 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 8.9 tp -122.44 128.16 50.55 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.82 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 57' ' ' ASP . . . . . 0.412 ' OD1' ' HE2' ' C' ' 16' ' ' LYS . 18.3 t0 -96.73 132.73 42.12 Favored 'General case' 0 CA--C 1.519 -0.227 0 N-CA-C 108.761 -0.829 . . . . 10.0 108.761 178.139 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 30.4 p -111.09 154.44 24.25 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.905 0.383 . . . . 10.0 110.518 -179.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 59' ' ' ALA . . . . . 0.702 ' HB2' ' HA ' ' C' ' 36' ' ' ILE . . . -78.6 130.5 35.99 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.104 0.478 . . . . 10.0 110.637 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -92.0 27.04 10.72 Favored Glycine 0 N--CA 1.447 -0.603 0 N-CA-C 111.138 -0.785 . . . . 10.0 111.138 179.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -77.02 -7.96 56.58 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 122.426 0.29 . . . . 10.0 111.043 -179.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 62' ' ' GLU . . . . . 0.452 ' CD ' HH12 ' C' ' 68' ' ' ARG . 16.6 mm-40 67.98 -170.17 0.19 Allowed 'General case' 0 C--O 1.234 0.265 0 O-C-N 123.782 0.676 . . . . 10.0 110.677 -178.304 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 63.16 39.82 9.47 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-O 121.374 0.607 . . . . 10.0 110.348 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 64' ' ' TYR . . . . . 0.444 ' HB3' ' HB3' ' C' ' 67' ' ' MET . 37.7 m-85 -128.79 45.05 2.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.371 -0.831 . . . . 10.0 108.838 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -52.69 -39.01 61.54 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.889 -1.051 . . . . 10.0 113.075 -178.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -97.69 -35.34 10.6 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.211 0.448 . . . . 10.0 112.211 -179.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 67' ' ' MET . . . . . 0.444 ' HB3' ' HB3' ' C' ' 64' ' ' TYR . 23.3 ttt -60.74 -34.07 73.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.402 -0.363 . . . . 10.0 111.341 -179.278 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 68' ' ' ARG . . . . . 0.549 ' HG2' ' HE3' ' C' ' 72' ' ' MET . 3.1 tpp180 -59.91 -45.85 91.24 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.886 0.374 . . . . 10.0 111.439 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -56.55 -35.38 68.07 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.565 -0.743 . . . . 10.0 112.192 -179.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -59.09 -57.1 14.55 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 112.471 0.545 . . . . 10.0 112.471 -179.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 71' ' ' TYR . . . . . 0.529 ' CZ ' ' HA ' ' C' ' 68' ' ' ARG . 14.5 p90 -78.34 -27.98 47.14 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 113.231 0.826 . . . . 10.0 113.231 -178.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 72' ' ' MET . . . . . 0.549 ' HE3' ' HG2' ' C' ' 68' ' ' ARG . 47.7 mtt -65.8 -27.65 68.42 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.41 0.624 . . . . 10.0 111.022 179.326 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 73' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' C' ' 73' ' ' ARG . 6.4 ttm180 -81.58 -16.84 50.36 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.709 -0.678 . . . . 10.0 110.646 179.45 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 13.5 m -98.11 -48.53 5.08 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.475 0.546 . . . . 10.0 112.475 -179.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -62.17 149.9 47.13 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 121.233 -0.508 . . . . 10.0 113.954 -179.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -102.86 -55.23 2.47 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.818 -0.438 . . . . 10.0 109.818 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -106.17 123.05 7.3 Favored Glycine 0 N--CA 1.443 -0.874 0 N-CA-C 111.109 -0.796 . . . . 10.0 111.109 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 78' ' ' PHE . . . . . 0.471 ' HB2' ' HG2' ' C' ' 111' ' ' MET . 93.0 m-85 -107.16 130.71 54.67 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.135 0.493 . . . . 10.0 111.291 -179.147 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 79' ' ' LEU . . . . . 0.48 HD12 ' HB ' ' C' ' 112' ' ' VAL . 7.2 tp -99.69 113.49 25.99 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.256 179.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 80' ' ' CYS . . . . . 0.584 ' HB3' HD12 ' C' ' 93' ' ' ILE . 3.7 m -88.73 103.89 16.38 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.076 -0.511 . . . . 10.0 109.661 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 18.8 t -106.3 137.4 36.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.292 0.567 . . . . 10.0 111.751 -178.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -143.55 160.57 40.38 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.528 -0.76 . . . . 10.0 108.95 178.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 83' ' ' ALA . . . . . 0.519 ' HB3' ' HB3' ' C' ' 86' ' ' ASN . . . -96.31 134.17 39.77 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.889 -0.325 . . . . 10.0 110.129 179.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 84' ' ' ILE . . . . . 0.62 HD13 ' HA ' ' C' ' 118' ' ' CYS . 18.8 pt -60.86 -22.05 25.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 112.267 0.469 . . . . 10.0 112.267 -179.434 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -108.47 23.83 13.94 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.254 0.55 . . . . 10.0 110.716 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 86' ' ' ASN . . . . . 0.519 ' HB3' ' HB3' ' C' ' 83' ' ' ALA . 40.9 t-20 -139.76 96.29 3.05 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.78 -0.645 . . . . 10.0 110.012 179.442 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 4.8 m -64.96 -32.45 74.18 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.844 -0.616 . . . . 10.0 111.446 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 88' ' ' LYS . . . . . 0.443 ' HB3' ' OD1' ' C' ' 86' ' ' ASN . 19.9 tptp -56.49 -48.38 77.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.259 -0.428 . . . . 10.0 110.721 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 89' ' ' SER . . . . . 0.455 ' HB3' HG11 ' C' ' 14' ' ' VAL . 56.9 p -64.25 -31.52 72.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.869 -0.605 . . . . 10.0 111.53 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -68.68 -42.75 77.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.999 0.428 . . . . 10.0 110.251 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -65.94 -36.36 83.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.769 -0.65 . . . . 10.0 110.392 179.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.19 -25.92 68.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.481 -0.781 . . . . 10.0 112.079 -179.592 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 93' ' ' ILE . . . . . 0.584 HD12 ' HB3' ' C' ' 80' ' ' CYS . 40.8 mm -55.19 -42.75 67.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 O-C-N 123.257 0.348 . . . . 10.0 110.702 179.64 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -60.58 -49.84 75.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.217 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -60.22 -46.98 87.9 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.878 -0.601 . . . . 10.0 111.5 -179.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -60.89 -43.07 99.01 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.614 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 97' ' ' ARG . . . . . 0.518 ' NH1' ' HE2' ' C' ' 101' ' ' LYS . 15.1 ttt-85 -61.43 -47.41 85.87 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.249 -0.432 . . . . 10.0 111.05 -179.602 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . 0.515 ' HA ' ' HE3' ' C' ' 101' ' ' LYS . 26.9 mm-40 -64.0 -38.18 90.15 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.197 -0.456 . . . . 10.0 111.646 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -66.39 -43.28 86.27 Favored 'General case' 0 C--N 1.331 -0.198 0 O-C-N 123.151 0.282 . . . . 10.0 110.765 179.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 84.6 mt -56.44 -46.14 82.02 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 CA-C-O 121.065 0.46 . . . . 10.0 109.883 179.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 101' ' ' LYS . . . . . 0.518 ' HE2' ' NH1' ' C' ' 97' ' ' ARG . 5.0 mtmp? -66.26 -28.36 68.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.626 -0.715 . . . . 10.0 111.713 -179.56 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? -76.74 -40.05 49.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.17 0.51 . . . . 10.0 109.997 179.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 72.1 t -67.05 -47.57 81.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.067 -0.515 . . . . 10.0 111.038 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -80.31 -13.05 59.5 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.286 -0.416 . . . . 10.0 111.551 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 31.2 t0 58.58 45.56 16.01 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.763 -0.653 . . . . 10.0 111.123 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 7.4 t -148.9 154.52 39.56 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.815 -0.63 . . . . 10.0 110.085 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -98.03 -15.34 20.09 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.117 0.484 . . . . 10.0 110.431 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -106.9 96.41 6.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.758 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 109' ' ' VAL . . . . . 0.419 ' HA ' ' HD3' ' C' ' 110' ' ' PRO . 46.9 t -129.77 128.47 22.98 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 115.847 -0.615 . . . . 10.0 109.655 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 110' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' C' ' 109' ' ' VAL . 24.1 Cg_exo -64.97 112.4 2.01 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.741 2.294 . . . . 10.0 111.478 179.079 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 111' ' ' MET . . . . . 0.471 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 44.5 mtm -138.79 152.79 48.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.397 -179.645 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 112' ' ' VAL . . . . . 0.48 ' HB ' HD12 ' C' ' 79' ' ' LEU . 88.5 t -133.21 130.75 57.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.032 -0.531 . . . . 10.0 109.84 179.381 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 30.0 tp -90.0 122.47 33.04 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.586 -0.524 . . . . 10.0 109.586 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 93.0 t -125.75 129.97 72.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.041 0.448 . . . . 10.0 111.703 -178.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -102.83 107.72 3.15 Favored Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 110.228 -1.149 . . . . 10.0 110.228 178.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -87.42 162.19 17.44 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-O 120.841 0.353 . . . . 10.0 111.631 -178.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 86.0 mttt 64.4 34.81 10.11 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.42 -0.809 . . . . 10.0 111.726 179.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 118' ' ' CYS . . . . . 0.62 ' HA ' HD13 ' C' ' 84' ' ' ILE . 1.6 m -67.63 -8.9 38.45 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.277 -0.419 . . . . 10.0 112.074 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -91.32 5.06 50.72 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.499 -0.318 . . . . 10.0 110.819 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 33.2 mt -91.09 145.44 31.65 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 116.344 -0.389 . . . . 10.0 110.697 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -84.62 164.27 12.32 Favored 'Trans proline' 0 N--CA 1.46 -0.445 0 C-N-CA 122.617 2.212 . . . . 10.0 111.548 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 18.4 m 57.93 56.5 4.67 Favored 'General case' 0 C--O 1.233 0.199 0 O-C-N 123.828 0.705 . . . . 10.0 111.836 179.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 123' ' ' ARG . . . . . 0.607 ' HB3' HD12 ' C' ' 84' ' ' ILE . 5.7 ptp180 -68.73 141.1 55.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.821 -0.627 . . . . 10.0 110.822 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -93.27 -39.31 11.05 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.972 -179.513 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 46.7 t -94.73 129.43 44.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.929 0.395 . . . . 10.0 110.386 179.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -84.51 150.51 25.21 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.186 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 127' ' ' THR . . . . . 0.614 HG23 ' HE2' ' C' ' 141' ' ' PHE . 7.0 m -67.82 -35.21 78.21 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.602 -0.272 . . . . 10.0 111.024 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 128' ' ' LYS . . . . . 0.638 ' HB3' ' HA ' ' B' ' 47' ' ' ASP . 0.0 OUTLIER -58.99 -50.66 73.24 Favored 'General case' 0 C--O 1.227 -0.094 0 CA-C-N 116.352 -0.386 . . . . 10.0 111.494 -179.574 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -63.68 -35.85 81.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.732 0.301 . . . . 10.0 111.498 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.7 -39.4 84.38 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.052 0.453 . . . . 10.0 109.861 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -72.05 -44.03 63.99 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.924 -0.58 . . . . 10.0 111.115 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 132' ' ' ASP . . . . . 0.704 ' HB2' ' HB3' ' B' ' 47' ' ' ASP . 37.5 t70 -60.27 -39.71 87.78 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.655 179.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 26.8 tp -67.99 -44.3 76.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 10.0 109.96 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.79 -32.74 74.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.673 -0.694 . . . . 10.0 110.192 179.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -58.0 -48.58 79.61 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.552 -0.749 . . . . 10.0 110.633 179.379 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 13.1 m -73.29 -22.89 60.25 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.941 -0.572 . . . . 10.0 111.318 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 7.4 m-30 -80.14 -27.03 39.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.238 0.542 . . . . 10.0 109.827 179.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 85.03 19.29 59.5 Favored Glycine 0 C--N 1.32 -0.347 0 N-CA-C 111.275 -0.73 . . . . 10.0 111.275 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 39.2 pt -117.21 157.93 45.77 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 115.845 -0.178 . . . . 10.0 110.594 -179.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -85.7 159.62 10.61 Favored 'Trans proline' 0 N--CA 1.462 -0.344 0 C-N-CA 122.532 2.155 . . . . 10.0 112.411 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 141' ' ' PHE . . . . . 0.614 ' HE2' HG23 ' C' ' 127' ' ' THR . 47.7 t80 -125.25 132.14 53.0 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.148 -0.478 . . . . 10.0 109.769 179.387 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 19.6 mt -128.72 139.29 52.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.444 -0.343 . . . . 10.0 110.703 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -98.39 128.23 44.69 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.727 -0.842 . . . . 10.0 108.727 178.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 41.9 p -133.41 -177.28 4.46 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.717 0.77 . . . . 10.0 112.887 -178.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 5.6 t -167.94 116.31 0.75 Allowed 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 107.208 -1.404 . . . . 10.0 107.208 179.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.18 -22.41 61.29 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.497 -0.557 . . . . 10.0 109.497 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -65.65 -43.65 88.78 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.389 -0.823 . . . . 10.0 111.29 179.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 12.6 p -100.83 -17.48 16.86 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.508 -0.315 . . . . 10.0 111.761 -179.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 149' ' ' ARG . . . . . 0.4 ' O ' ' HG3' ' C' ' 149' ' ' ARG . 0.5 OUTLIER 67.43 9.85 7.32 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-O 121.895 0.855 . . . . 10.0 110.751 -178.406 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -71.6 105.96 3.85 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.743 -1.117 . . . . 10.0 112.001 -178.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 86.79 4.22 82.68 Favored Glycine 0 CA--C 1.517 0.205 0 C-N-CA 120.933 -0.651 . . . . 10.0 114.188 178.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 72.2 t -62.32 -43.22 97.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 117.207 0.503 . . . . 10.0 111.432 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.66 -29.14 68.35 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.321 -0.4 . . . . 10.0 111.717 -179.354 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -58.34 -34.78 71.02 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.825 0.345 . . . . 10.0 110.925 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.75 -39.3 91.11 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.115 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -69.7 -45.52 68.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.275 179.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 157' ' ' TYR . . . . . 0.438 ' HD2' HG23 ' C' ' 46' ' ' ILE . 55.2 m-85 -58.29 -49.33 77.51 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.327 179.713 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 158' ' ' THR . . . . . 0.446 ' O ' ' HG2' ' C' ' 162' ' ' GLU . 43.4 m -66.52 -40.21 89.06 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.38 -0.827 . . . . 10.0 112.188 -179.495 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 16.8 tp -59.68 -42.93 94.02 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.976 0.417 . . . . 10.0 110.751 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 92.1 t -68.05 -36.43 75.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.043 178.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 28.2 ttp-105 -62.13 -37.47 85.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.715 -0.675 . . . . 10.0 110.822 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 162' ' ' GLU . . . . . 0.727 ' HA ' ' HE2' ' C' ' 165' ' ' LYS . 69.3 mm-40 -64.34 -45.14 89.15 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.189 -0.459 . . . . 10.0 110.311 179.207 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 65.6 mt -63.28 -39.87 86.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.126 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 46.1 mtt85 -60.8 -47.7 85.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.326 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 165' ' ' LYS . . . . . 0.727 ' HE2' ' HA ' ' C' ' 162' ' ' GLU . 44.2 mtmt -60.58 -38.02 83.24 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 120.971 0.415 . . . . 10.0 110.514 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -65.04 -23.67 67.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.365 -0.834 . . . . 10.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 96.2 mttt . . . . . 0 C--N 1.325 -0.496 0 CA-C-N 116.184 -0.462 . . . . 10.0 111.321 -179.858 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 5.3 tmtm? . . . . . 0 CA--C 1.527 0.093 0 CA-C-O 120.912 0.387 . . . . 10.0 111.111 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 43.4 mt -67.64 -36.77 81.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.517 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 33.4 mt -68.51 -44.85 73.75 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.997 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 205' ' ' ASP . . . . . 0.404 ' O ' ' HB3' ' A' ' 208' ' ' ASP . 11.7 t70 -70.69 -44.19 67.47 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.342 -0.39 . . . . 10.0 111.763 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.4 -34.38 76.61 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.761 0.315 . . . . 10.0 110.38 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 67.9 t90 -65.49 -35.61 81.4 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 109.352 -0.61 . . . . 10.0 109.352 178.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 208' ' ' ASP . . . . . 0.404 ' HB3' ' O ' ' A' ' 205' ' ' ASP . 16.9 t70 -61.33 -45.26 95.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.644 -0.707 . . . . 10.0 110.323 179.266 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.56 -45.79 92.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.115 0.484 . . . . 10.0 110.151 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 94.5 t -59.99 -44.5 94.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.546 -0.752 . . . . 10.0 110.283 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 26.2 m -63.1 -39.97 96.26 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.869 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 15.7 m -63.18 -42.0 99.3 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 109.866 -0.42 . . . . 10.0 109.866 178.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 213' ' ' THR . . . . . 0.843 ' HA ' ' HE2' ' D' ' 561' ' ' LYS . 20.9 m -61.49 -51.81 67.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.05 -0.523 . . . . 10.0 109.687 178.621 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 214' ' ' PHE . . . . . 0.521 ' HA ' HD12 ' A' ' 217' ' ' LEU . 6.8 m-85 -56.74 -40.42 75.73 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.085 -0.507 . . . . 10.0 111.427 179.556 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 215' ' ' SER . . . . . 0.491 ' O ' ' HG3' ' A' ' 219' ' ' GLU . 27.6 m -61.83 -50.09 73.66 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.356 -0.384 . . . . 10.0 110.617 179.496 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 19.3 mttt -62.97 -34.91 78.51 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-N 116.422 -0.354 . . . . 10.0 110.217 179.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 217' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' ' 213' ' ' THR . 96.4 mt -64.12 -44.05 93.4 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-N 115.905 -0.588 . . . . 10.0 109.795 178.586 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 218' ' ' ARG . . . . . 0.424 ' HA ' HD12 ' A' ' 221' ' ' LEU . 6.1 mtp85 -64.94 -37.53 87.95 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.4 -0.364 . . . . 10.0 110.931 179.074 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 219' ' ' GLU . . . . . 0.491 ' HG3' ' O ' ' A' ' 215' ' ' SER . 46.1 mt-10 -64.13 -35.78 81.87 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.286 178.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -81.53 -32.68 32.18 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 116.066 -0.515 . . . . 10.0 109.972 178.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 221' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' A' ' 218' ' ' ARG . 18.4 mt -56.23 -33.87 65.79 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.074 -0.512 . . . . 10.0 111.267 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -55.72 -70.2 1.04 Allowed Glycine 0 C--N 1.334 0.42 0 C-N-CA 120.642 -0.79 . . . . 10.0 111.283 178.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -53.06 -39.36 80.03 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.801 2.334 . . . . 10.0 111.347 178.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 31.8 t -58.74 -52.77 56.09 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 O-C-N 123.134 0.272 . . . . 10.0 111.444 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 225' ' ' THR . . . . . 0.434 ' O ' ' HB2' ' A' ' 229' ' ' TRP . 7.6 p -64.47 -34.79 79.02 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.826 -0.35 . . . . 10.0 110.79 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -66.31 -43.87 85.02 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.77 -0.456 . . . . 10.0 109.77 178.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -65.83 -45.07 83.62 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.802 -0.635 . . . . 10.0 109.874 178.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -60.85 -46.01 92.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.546 178.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 229' ' ' TRP . . . . . 0.434 ' HB2' ' O ' ' A' ' 225' ' ' THR . 0.2 OUTLIER -64.36 -35.67 81.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.38 179.412 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -63.31 -47.46 82.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.962 -0.563 . . . . 10.0 109.75 179.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -70.84 -40.63 72.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.486 . . . . 10.0 111.253 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 232' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 232' ' ' LEU . 20.6 mt -62.73 -38.5 90.75 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.506 179.447 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 233' ' ' GLU . . . . . 0.559 ' HA ' ' OG1' ' A' ' 236' ' ' THR . 4.0 mm-40 -67.25 -28.86 68.39 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.432 179.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 74.3 mttt -70.37 -36.79 74.35 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.172 -1.047 . . . . 10.0 108.172 177.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.75 -48.18 64.4 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.472 -0.786 . . . . 10.0 109.838 178.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 236' ' ' THR . . . . . 0.559 ' OG1' ' HA ' ' A' ' 233' ' ' GLU . 0.9 OUTLIER -63.4 -35.68 81.2 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.401 -0.592 . . . . 10.0 109.401 178.812 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 237' ' ' GLU . . . . . 0.524 ' HG2' ' NE2' ' A' ' 241' ' ' GLN . 42.8 tt0 -59.24 -47.85 83.81 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 108.771 -0.826 . . . . 10.0 108.771 178.354 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -64.12 -40.48 98.13 Favored Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 110.677 -0.969 . . . . 10.0 110.677 178.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 58.6 mt -63.83 -33.9 76.73 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.604 0.24 . . . . 10.0 110.549 179.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 55.7 mtt180 -69.76 -39.93 76.4 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.797 -0.446 . . . . 10.0 109.797 179.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 241' ' ' GLN . . . . . 0.524 ' NE2' ' HG2' ' A' ' 237' ' ' GLU . 57.5 mt-30 -69.45 -42.26 75.17 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.944 -0.761 . . . . 10.0 108.944 178.382 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -66.49 -22.12 66.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.185 -0.916 . . . . 10.0 110.937 179.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 243' ' ' MET . . . . . 0.819 ' HG3' HD12 ' A' ' 247' ' ' LEU . 46.3 ttm -64.65 -29.48 70.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.38 0.61 . . . . 10.0 109.483 178.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 1.8 m -80.11 7.76 8.56 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.362 -0.836 . . . . 10.0 110.522 179.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 245' ' ' LYS . . . . . 0.434 ' O ' ' HB2' ' A' ' 249' ' ' GLU . 40.3 mttm -127.69 -61.75 1.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.239 -1.023 . . . . 10.0 108.239 178.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 246' ' ' ASP . . . . . 0.654 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 10.5 t70 -54.46 -59.42 4.71 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.914 -1.039 . . . . 10.0 112.003 -179.381 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 247' ' ' LEU . . . . . 0.819 HD12 ' HG3' ' A' ' 243' ' ' MET . 58.9 mt -79.56 -35.93 39.05 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.92 -179.263 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -63.01 -48.24 79.64 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 121.107 -0.237 . . . . 10.0 111.246 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 249' ' ' GLU . . . . . 0.434 ' HB2' ' O ' ' A' ' 245' ' ' LYS . 3.8 mt-10 -69.75 -33.7 72.8 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 111.639 0.237 . . . . 10.0 111.639 179.623 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 250' ' ' VAL . . . . . 0.63 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 0.9 OUTLIER -65.1 -28.12 43.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 C-N-CA 120.684 -0.407 . . . . 10.0 110.101 179.226 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 251' ' ' LYS . . . . . 0.546 ' O ' HG12 ' A' ' 254' ' ' VAL . 91.9 mttt -82.93 -42.2 17.94 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-O 121.357 0.599 . . . . 10.0 109.871 178.599 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -65.33 -32.18 73.7 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.924 -0.58 . . . . 10.0 109.738 179.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 70.4 mttt -90.24 -19.71 23.84 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.874 -0.603 . . . . 10.0 111.218 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 254' ' ' VAL . . . . . 0.63 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.5 OUTLIER -61.51 -31.08 49.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-O 120.728 0.299 . . . . 10.0 110.627 -179.882 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 255' ' ' GLN . . . . . 0.542 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 37.5 mt-30 -63.97 -62.32 5.43 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.124 179.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 256' ' ' PRO . . . . . 0.542 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 36.6 Cg_endo -67.46 -34.09 27.36 Favored 'Trans proline' 0 C--N 1.356 0.924 0 C-N-CA 121.968 1.779 . . . . 10.0 112.477 178.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 5.4 m-30 -63.25 -53.3 55.09 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.03 0.443 . . . . 10.0 110.522 179.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 258' ' ' LEU . . . . . 0.452 ' O ' ' HB2' ' A' ' 262' ' ' GLN . 31.2 mt -66.82 -39.29 87.65 Favored 'General case' 0 C--O 1.219 -0.532 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.181 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -57.03 -51.74 68.06 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 123.408 0.443 . . . . 10.0 111.756 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -58.74 -48.19 82.05 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.383 -0.372 . . . . 10.0 111.142 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -68.7 -35.53 77.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.916 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 262' ' ' GLN . . . . . 0.452 ' HB2' ' O ' ' A' ' 258' ' ' LEU . 42.6 tt0 -66.71 -41.76 87.44 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.041 -0.726 . . . . 10.0 109.041 179.513 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 263' ' ' LYS . . . . . 0.443 ' O ' ' HG3' ' A' ' 267' ' ' GLU . 4.3 ttmt -61.65 -50.62 71.81 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.265 -0.88 . . . . 10.0 108.847 178.544 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 264' ' ' LYS . . . . . 0.652 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 75.1 mttt -62.69 -39.8 95.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.411 -0.813 . . . . 10.0 110.874 179.277 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -63.31 -42.57 99.03 Favored 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 110.033 -0.358 . . . . 10.0 110.033 178.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -61.51 -45.1 95.63 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 108.818 -0.808 . . . . 10.0 108.818 178.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 267' ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' A' ' 263' ' ' LYS . 43.7 mt-10 -60.59 -43.6 97.2 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.806 -0.634 . . . . 10.0 110.002 178.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 268' ' ' GLU . . . . . 0.492 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 25.1 mt-10 -61.8 -41.59 97.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.824 -0.625 . . . . 10.0 110.539 179.245 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 79.6 mmm -67.5 -42.65 82.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.831 -0.622 . . . . 10.0 109.887 179.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -62.07 -44.66 96.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.997 0.427 . . . . 10.0 109.955 178.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 44.0 mt -63.9 -37.84 88.88 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.741 -0.663 . . . . 10.0 109.981 178.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 272' ' ' TYR . . . . . 0.48 ' HD1' ' HA ' ' A' ' 272' ' ' TYR . 0.4 OUTLIER -67.9 -34.91 77.55 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 115.672 -0.694 . . . . 10.0 109.948 178.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 273' ' ' ARG . . . . . 0.644 ' HA ' HG12 ' A' ' 276' ' ' VAL . 72.2 mtt180 -75.65 -44.0 44.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.656 179.138 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -60.99 -25.75 67.09 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 116.002 -0.545 . . . . 10.0 109.95 179.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 275' ' ' LYS . . . . . 0.754 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 0.2 OUTLIER -91.22 -46.06 8.29 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.427 178.858 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 276' ' ' VAL . . . . . 0.644 HG12 ' HA ' ' A' ' 273' ' ' ARG . 2.4 p -56.02 -32.85 34.46 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.158 0 N-CA-C 113.039 0.755 . . . . 10.0 113.039 -178.313 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -60.82 -62.31 6.23 Favored Pre-proline 0 CA--C 1.538 0.502 0 N-CA-C 112.018 0.377 . . . . 10.0 112.018 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 278' ' ' PRO . . . . . 0.43 ' O ' ' HG3' ' A' ' 282' ' ' GLU . 37.5 Cg_endo -68.15 -35.92 18.25 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 121.705 1.603 . . . . 10.0 111.789 178.289 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 279' ' ' LEU . . . . . 0.955 HD22 ' HE3' ' D' ' 495' ' ' LYS . 8.4 mt -61.16 -43.93 98.12 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 121.017 -0.273 . . . . 10.0 111.148 -179.667 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 280' ' ' ARG . . . . . 0.413 ' O ' ' HB2' ' A' ' 284' ' ' GLN . 42.0 mtt180 -63.08 -33.91 76.46 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 109.851 -0.426 . . . . 10.0 109.851 179.284 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -69.12 -44.49 72.3 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.151 -0.477 . . . . 10.0 109.797 179.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 282' ' ' GLU . . . . . 0.43 ' HG3' ' O ' ' A' ' 278' ' ' PRO . 46.2 mt-10 -64.13 -48.01 77.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.917 -0.583 . . . . 10.0 109.775 178.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 77.8 mt -60.14 -39.37 86.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.757 -0.656 . . . . 10.0 109.855 178.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 284' ' ' GLN . . . . . 0.413 ' HB2' ' O ' ' A' ' 280' ' ' ARG . 38.4 tt0 -64.73 -45.91 84.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.234 179.304 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -62.6 -47.47 83.63 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 109.568 -0.53 . . . . 10.0 109.568 178.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -60.4 -40.57 97.77 Favored Glycine 0 N--CA 1.443 -0.875 0 N-CA-C 111.052 -0.819 . . . . 10.0 111.052 179.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -67.07 -44.33 80.37 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.103 -0.332 . . . . 10.0 110.103 179.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 89.2 mtt180 -54.04 -53.11 57.54 Favored 'General case' 0 C--N 1.331 -0.199 0 O-C-N 123.462 0.476 . . . . 10.0 110.215 179.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 11.0 tm0? -63.06 -47.12 84.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.855 -0.611 . . . . 10.0 111.397 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 47.2 mttp -58.98 -42.99 91.3 Favored 'General case' 0 CA--C 1.522 -0.126 0 CA-C-O 120.884 0.373 . . . . 10.0 110.938 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 90.7 mt -68.08 -39.44 82.92 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.11 -0.496 . . . . 10.0 110.04 178.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 292' ' ' HIS . . . . . 0.507 ' O ' ' HG2' ' A' ' 296' ' ' GLU . 3.5 m170 -61.86 -43.92 97.87 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.026 178.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -60.24 -39.52 87.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.697 -0.683 . . . . 10.0 109.569 178.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 77.2 mt -67.17 -42.29 84.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.885 -0.598 . . . . 10.0 109.515 178.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -61.47 -33.18 73.32 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.057 -0.52 . . . . 10.0 110.449 178.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 296' ' ' GLU . . . . . 0.507 ' HG2' ' O ' ' A' ' 292' ' ' HIS . 18.9 mm-40 -63.46 -18.16 63.47 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 115.96 -0.563 . . . . 10.0 110.417 179.283 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . 0.62 ' HB3' HD12 ' A' ' 301' ' ' LEU . 28.9 mmtp -109.65 -32.7 7.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.37 179.422 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 66.9 mt -61.8 -28.85 69.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 10.0 111.282 179.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 299' ' ' SER . . . . . 0.546 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 7.0 m -79.22 -68.24 0.23 Allowed Pre-proline 0 CA--C 1.538 0.501 0 N-CA-C 112.668 0.618 . . . . 10.0 112.668 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 300' ' ' PRO . . . . . 0.546 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 37.0 Cg_endo -65.53 -52.24 1.12 Allowed 'Trans proline' 0 C--N 1.356 0.928 0 C-N-CA 121.972 1.781 . . . . 10.0 112.778 -179.024 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 301' ' ' LEU . . . . . 0.693 HD13 ' HG2' ' D' ' 473' ' ' LYS . 94.3 mt -66.45 -27.8 68.09 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.839 0.352 . . . . 10.0 110.297 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -67.4 -49.84 48.58 Favored Glycine 0 N--CA 1.445 -0.755 0 N-CA-C 110.226 -1.149 . . . . 10.0 110.226 178.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -64.76 -41.3 96.0 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.858 -0.423 . . . . 10.0 109.858 178.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -61.55 -41.75 97.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.947 -0.57 . . . . 10.0 110.065 179.072 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 305' ' ' MET . . . . . 0.425 ' SD ' HD13 ' D' ' 469' ' ' LEU . 11.2 tpt -63.26 -39.23 94.01 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.479 -0.564 . . . . 10.0 109.479 179.179 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 58.6 mtt180 -68.06 -40.27 82.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.914 -0.584 . . . . 10.0 110.35 179.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 307' ' ' ASP . . . . . 0.519 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 27.0 t70 -68.22 -42.96 79.0 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.208 -0.451 . . . . 10.0 109.863 179.215 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 308' ' ' ARG . . . . . 0.535 ' HG3' HD21 ' D' ' 469' ' ' LEU . 25.6 mmt180 -65.31 -34.93 79.5 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.731 -0.84 . . . . 10.0 108.731 177.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 309' ' ' ALA . . . . . 0.406 ' O ' HG23 ' A' ' 313' ' ' VAL . . . -64.52 -38.45 91.04 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 108.943 -0.762 . . . . 10.0 108.943 178.012 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 310' ' ' ARG . . . . . 0.519 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 88.2 mtt180 -57.95 -48.25 80.52 Favored 'General case' 0 C--O 1.223 -0.302 0 N-CA-C 108.725 -0.843 . . . . 10.0 108.725 177.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -63.6 -39.53 94.62 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.619 -0.719 . . . . 10.0 110.314 179.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -59.22 -51.78 68.52 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 121.127 0.489 . . . . 10.0 109.703 179.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 313' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 309' ' ' ALA . 45.1 t -70.06 -32.86 52.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.505 -0.77 . . . . 10.0 110.775 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -63.77 -48.35 77.3 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.156 0.503 . . . . 10.0 110.014 179.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -61.17 -37.63 83.58 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.529 -0.76 . . . . 10.0 109.299 178.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 75.7 mt -68.36 -43.74 76.76 Favored 'General case' 0 C--O 1.221 -0.402 0 CA-C-N 115.472 -0.786 . . . . 10.0 109.777 178.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 317' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 317' ' ' ARG . 14.9 mtm105 -59.25 -44.01 92.41 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.785 0.326 . . . . 10.0 110.824 179.481 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 3.2 m -66.72 -24.35 66.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.6 -0.727 . . . . 10.0 111.469 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 14.6 m80 -93.2 -46.56 7.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.504 -0.317 . . . . 10.0 111.556 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 96.5 mt -60.71 -31.5 70.79 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.347 0.499 . . . . 10.0 112.347 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 321' ' ' ALA . . . . . 0.408 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -58.2 -63.63 3.73 Favored Pre-proline 0 CA--C 1.536 0.407 0 N-CA-C 111.575 0.213 . . . . 10.0 111.575 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 322' ' ' PRO . . . . . 0.408 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 38.0 Cg_endo -67.87 -27.66 36.92 Favored 'Trans proline' 0 C--N 1.356 0.942 0 C-N-CA 121.495 1.463 . . . . 10.0 111.311 178.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -62.59 -48.96 77.16 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.284 179.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 324' ' ' SER . . . . . 0.472 ' HA ' ' HB2' ' A' ' 327' ' ' LEU . 10.8 p -69.36 -33.48 73.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.901 0.381 . . . . 10.0 110.005 179.359 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.85 -41.72 98.16 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 108.846 -0.798 . . . . 10.0 108.846 178.703 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -76.13 -33.1 59.42 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.572 -0.74 . . . . 10.0 109.938 178.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . 0.472 ' HB2' ' HA ' ' A' ' 324' ' ' SER . 16.3 mt -61.07 -35.26 76.47 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 108.952 -0.758 . . . . 10.0 108.952 178.252 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 328' ' ' ARG . . . . . 0.419 ' HG3' ' O ' ' A' ' 324' ' ' SER . 84.5 mtt180 -60.57 -44.33 96.31 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.861 -0.792 . . . . 10.0 108.861 177.77 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -64.72 -44.3 90.66 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.809 -0.632 . . . . 10.0 109.624 178.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 330' ' ' ARG . . . . . 0.635 HH21 ' HB3' ' D' ' 447' ' ' GLU . 29.6 mtt-85 -57.97 -54.06 51.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.553 -0.749 . . . . 10.0 110.457 179.408 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 30.8 mt -61.49 -43.47 98.81 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-N 115.99 -0.55 . . . . 10.0 111.173 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -60.49 -43.88 96.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.658 0.266 . . . . 10.0 110.57 179.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -61.52 -45.85 92.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.024 -0.534 . . . . 10.0 109.714 178.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 334' ' ' ARG . . . . . 0.458 ' HD3' ' CD ' ' D' ' 440' ' ' GLU . 30.4 mmt180 -62.8 -42.98 99.94 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.817 -0.628 . . . . 10.0 109.694 178.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 335' ' ' LEU . . . . . 0.591 ' O ' ' HB2' ' A' ' 339' ' ' LYS . 61.5 mt -64.06 -45.9 86.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.727 -0.67 . . . . 10.0 111.437 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -65.88 -41.98 90.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.424 -0.353 . . . . 10.0 111.417 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -65.52 -47.57 75.52 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.152 0.501 . . . . 10.0 109.655 178.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 49.2 mt -69.78 -14.6 62.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.035 -0.529 . . . . 10.0 111.116 178.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 339' ' ' LYS . . . . . 0.591 ' HB2' ' O ' ' A' ' 335' ' ' LEU . 31.7 tttt -82.69 -48.63 10.67 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.34 -0.615 . . . . 10.0 109.34 178.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -67.13 -46.16 74.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.106 0.479 . . . . 10.0 109.86 178.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 341' ' ' ASN . . . . . 0.451 HD21 ' HB3' ' D' ' 432' ' ' LYS . 27.9 t-20 -71.4 -36.46 71.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.995 -0.548 . . . . 10.0 109.851 179.248 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -62.96 -43.76 98.41 Favored Glycine 0 N--CA 1.45 -0.384 0 N-CA-C 111.297 -0.721 . . . . 10.0 111.297 179.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 343' ' ' GLY . . . . . 0.442 ' HA2' HD12 ' A' ' 346' ' ' LEU . . . -61.66 -36.77 93.17 Favored Glycine 0 N--CA 1.452 -0.295 0 N-CA-C 111.18 -0.768 . . . . 10.0 111.18 178.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -67.59 -44.37 78.29 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.454 -0.572 . . . . 10.0 109.454 178.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 65.8 mtm180 -64.6 -37.78 88.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.6 -0.727 . . . . 10.0 110.343 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 346' ' ' LEU . . . . . 0.442 HD12 ' HA2' ' A' ' 343' ' ' GLY . 72.5 mt -59.57 -54.33 47.72 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.469 -0.567 . . . . 10.0 109.469 178.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.77 -42.67 93.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.67 -0.695 . . . . 10.0 110.568 179.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 348' ' ' GLU . . . . . 0.491 ' O ' ' HG3' ' A' ' 352' ' ' LYS . 2.2 mt-10 -63.41 -47.03 83.66 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.112 -0.495 . . . . 10.0 111.027 179.32 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -61.6 -34.27 75.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.551 -0.295 . . . . 10.0 110.264 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 29.6 m-70 -65.67 -42.83 90.87 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.052 -0.721 . . . . 10.0 109.052 177.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -65.0 -41.87 94.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.383 -0.826 . . . . 10.0 109.657 179.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 352' ' ' LYS . . . . . 0.491 ' HG3' ' O ' ' A' ' 348' ' ' GLU . 34.4 mttm -62.84 -43.72 98.05 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.181 -0.674 . . . . 10.0 109.181 178.394 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -61.74 -38.21 87.11 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.709 -0.678 . . . . 10.0 109.394 178.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 29.1 m -61.68 -40.96 96.82 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.513 -0.551 . . . . 10.0 109.513 178.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -67.15 -44.34 80.04 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.132 -0.485 . . . . 10.0 109.876 178.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 27.3 m-70 -62.26 -39.66 93.62 Favored 'General case' 0 C--O 1.226 -0.164 0 CA-C-N 115.687 -0.688 . . . . 10.0 110.949 179.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 83.5 mt -68.8 -38.06 79.7 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.287 -0.415 . . . . 10.0 111.041 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 41.4 m -64.22 -45.67 87.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.432 . . . . 10.0 110.367 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 1.2 p -73.53 -28.9 62.13 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.19 179.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 56.7 tp -63.65 -30.44 71.55 Favored 'General case' 0 CA--C 1.521 -0.158 0 N-CA-C 109.243 -0.651 . . . . 10.0 109.243 178.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 49.0 m -61.99 -32.6 73.08 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.882 -0.599 . . . . 10.0 109.64 178.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -67.87 -26.54 66.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.12 0.486 . . . . 10.0 110.313 178.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 363' ' ' LYS . . . . . 0.708 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 80.0 mttt -90.42 -30.85 17.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.131 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 364' ' ' ALA . . . . . 0.599 ' HA ' HD12 ' A' ' 368' ' ' LEU . . . -83.51 -24.49 31.67 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 113.06 0.763 . . . . 10.0 113.06 -178.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 365' ' ' LYS . . . . . 0.959 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 85.1 mttt -110.98 -75.14 0.02 OUTLIER Pre-proline 0 CA--C 1.533 0.327 0 N-CA-C 112.841 0.682 . . . . 10.0 112.841 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 366' ' ' PRO . . . . . 0.959 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 31.4 Cg_exo -59.54 -55.31 1.84 Allowed 'Trans proline' 0 C--N 1.357 1.016 0 C-N-CA 122.206 1.938 . . . . 10.0 112.919 -179.163 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 367' ' ' ALA . . . . . 0.708 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -62.44 -45.65 92.12 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.764 0.283 . . . . 10.0 111.764 -179.368 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 368' ' ' LEU . . . . . 0.599 HD12 ' HA ' ' A' ' 364' ' ' ALA . 0.9 OUTLIER -62.64 -44.26 96.72 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.592 -0.276 . . . . 10.0 111.306 -179.738 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -63.66 -41.88 98.15 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.817 -0.438 . . . . 10.0 109.817 179.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -61.13 -41.46 96.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.296 -0.865 . . . . 10.0 109.631 179.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 371' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 367' ' ' ALA . 85.4 mt -66.41 -42.21 88.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.611 -0.722 . . . . 10.0 110.275 178.571 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 372' ' ' ARG . . . . . 0.494 ' O ' ' HG ' ' A' ' 376' ' ' LEU . 98.8 mtt180 -62.87 -47.55 82.86 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.143 -0.48 . . . . 10.0 110.688 179.474 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -65.09 -21.63 66.84 Favored 'General case' 0 C--O 1.23 0.065 0 CA-C-N 116.043 -0.526 . . . . 10.0 111.139 179.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -89.46 -35.62 7.87 Favored Glycine 0 N--CA 1.449 -0.489 0 N-CA-C 111.58 -0.608 . . . . 10.0 111.58 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 36.4 mt -73.23 -29.6 62.89 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.605 0.224 . . . . 10.0 111.605 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 376' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 372' ' ' ARG . 54.4 mt -54.68 -59.91 9.26 Favored Pre-proline 0 CA--C 1.536 0.425 0 N-CA-C 112.429 0.529 . . . . 10.0 112.429 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -61.14 -34.48 89.19 Favored 'Trans proline' 0 C--N 1.356 0.922 0 C-N-CA 121.813 1.675 . . . . 10.0 110.94 178.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 54.6 t -63.11 -44.54 99.53 Favored 'Isoleucine or valine' 0 C--O 1.231 0.126 0 N-CA-C 109.554 -0.536 . . . . 10.0 109.554 178.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 379' ' ' LEU . . . . . 0.441 ' O ' ' HG3' ' A' ' 383' ' ' LYS . 66.2 mt -64.37 -39.29 93.59 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.019 178.478 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -61.91 -43.12 99.49 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.899 -0.591 . . . . 10.0 110.461 178.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 2.3 p -70.92 -33.59 70.69 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.96 -0.385 . . . . 10.0 109.96 178.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -65.33 -34.9 79.41 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.027 179.006 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 383' ' ' LYS . . . . . 0.441 ' HG3' ' O ' ' A' ' 379' ' ' LEU . 95.6 mttt -60.27 -39.36 86.53 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 108.938 -0.764 . . . . 10.0 108.938 177.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 72.2 t -63.81 -40.53 89.39 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 N-CA-C 109.04 -0.726 . . . . 10.0 109.04 178.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 1.3 m -64.81 -43.25 93.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.734 -0.667 . . . . 10.0 109.994 179.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -66.67 -47.29 72.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.346 -0.388 . . . . 10.0 111.573 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 387' ' ' LEU . . . . . 0.477 ' O ' ' HG3' ' A' ' 391' ' ' GLU . 27.7 mt -58.34 -46.91 85.34 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.37 -0.377 . . . . 10.0 111.309 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 388' ' ' SER . . . . . 0.4 ' O ' ' HG2' ' A' ' 392' ' ' GLU . 12.4 p -67.24 -44.17 80.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.6 -0.273 . . . . 10.0 110.906 179.651 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -57.6 -47.88 80.94 Favored 'General case' 0 CA--C 1.523 -0.081 0 CA-C-N 116.29 -0.413 . . . . 10.0 110.742 179.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 84.4 mt -56.02 -45.14 79.22 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.05 0.452 . . . . 10.0 110.153 179.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 391' ' ' GLU . . . . . 0.477 ' HG3' ' O ' ' A' ' 387' ' ' LEU . 27.4 mt-10 -63.77 -45.18 90.95 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.414 179.447 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 392' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 388' ' ' SER . 58.2 mm-40 -57.49 -48.19 79.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.922 0.392 . . . . 10.0 110.97 179.507 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -64.49 -39.36 93.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.98 -0.555 . . . . 10.0 111.485 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 11.7 m -70.21 -31.53 69.01 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.85 0.357 . . . . 10.0 111.254 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -77.76 -39.07 45.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.925 0.393 . . . . 10.0 111.956 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 396' ' ' LYS . . . . . 0.746 ' HE2' ' HA ' ' D' ' 587' ' ' ALA . 14.0 mptt -85.09 -33.98 22.31 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 113.459 0.911 . . . . 10.0 113.459 -178.323 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 78.7 mt -94.77 -18.25 21.41 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.413 0.523 . . . . 10.0 112.413 -179.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 46.4 t30 . . . . . 0 C--N 1.328 -0.368 0 CA-C-O 120.616 0.245 . . . . 10.0 111.134 -179.82 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' D' D ' 399' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' D' ' 399' ' ' LEU . 3.2 mm? . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 121.244 0.545 . . . . 10.0 110.464 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 400' ' ' LYS . . . . . 0.456 ' HB2' ' HE2' ' D' ' 400' ' ' LYS . 3.6 mppt? -124.67 24.01 7.89 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.54 -0.755 . . . . 10.0 110.596 179.656 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 41.3 mt -74.59 -38.5 62.6 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.516 -0.766 . . . . 10.0 110.69 -179.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 36.5 mt -63.89 -38.46 91.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.87 -0.605 . . . . 10.0 110.316 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -69.13 -39.21 79.03 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.479 -0.782 . . . . 10.0 110.54 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 404' ' ' ASN . . . . . 0.481 ' O ' HG23 ' D' ' 408' ' ' VAL . 26.4 t-20 -68.33 -45.76 72.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.685 -0.689 . . . . 10.0 110.431 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -61.58 -30.11 70.46 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.767 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -62.07 -48.88 78.22 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.618 -0.512 . . . . 10.0 109.618 178.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 1.2 m -62.53 -37.52 86.39 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.017 178.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 408' ' ' VAL . . . . . 0.481 HG23 ' O ' ' D' ' 404' ' ' ASN . 58.1 t -65.17 -37.42 80.14 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 N-CA-C 109.477 -0.564 . . . . 10.0 109.477 178.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 53.7 m -64.53 -38.5 91.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.957 -0.565 . . . . 10.0 109.752 178.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 5.1 m -62.12 -39.57 92.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.041 -0.527 . . . . 10.0 109.724 178.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 20.6 m -64.86 -42.42 94.89 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.083 -0.508 . . . . 10.0 109.687 178.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 412' ' ' PHE . . . . . 0.495 ' HD1' HD12 ' D' ' 415' ' ' LEU . 12.4 m-85 -64.48 -37.96 89.34 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.547 -0.538 . . . . 10.0 109.547 178.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 413' ' ' SER . . . . . 0.419 ' O ' ' HG3' ' D' ' 417' ' ' GLU . 19.8 m -63.93 -40.25 96.03 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.234 -0.654 . . . . 10.0 109.234 178.49 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 414' ' ' LYS . . . . . 0.524 ' HA ' ' HD3' ' D' ' 414' ' ' LYS . 46.0 mmtt -64.36 -35.98 82.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.998 -0.546 . . . . 10.0 109.945 178.507 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 415' ' ' LEU . . . . . 0.495 HD12 ' HD1' ' D' ' 412' ' ' PHE . 95.6 mt -65.56 -39.27 91.48 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.148 -0.686 . . . . 10.0 109.148 178.622 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 77.2 mtt180 -68.84 -35.47 76.99 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.772 -0.649 . . . . 10.0 110.618 179.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 417' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' D' ' 413' ' ' SER . 42.1 mt-10 -70.75 -20.21 62.65 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 121.256 0.55 . . . . 10.0 110.313 178.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -90.15 -49.51 6.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.573 -0.739 . . . . 10.0 109.69 178.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 59.6 mt -47.8 -47.37 31.02 Favored 'General case' 0 N--CA 1.461 0.11 0 CA-C-N 115.523 -0.762 . . . . 10.0 112.138 -179.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -52.05 -74.7 0.27 Allowed Glycine 0 CA--C 1.52 0.374 0 C-N-CA 121.273 -0.489 . . . . 10.0 112.998 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 421' ' ' PRO . . . . . 0.41 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 50.3 Cg_exo -55.15 -41.7 76.04 Favored 'Trans proline' 0 CA--C 1.531 0.357 0 C-N-CA 122.908 2.405 . . . . 10.0 112.343 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 31.5 t -60.46 -44.19 95.8 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 N-CA-C 112.623 0.601 . . . . 10.0 112.623 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 25.2 p -71.41 -34.46 70.37 Favored 'General case' 0 N--CA 1.462 0.17 0 C-N-CA 120.809 -0.357 . . . . 10.0 111.29 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -59.96 -50.67 72.84 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.67 -0.493 . . . . 10.0 109.67 179.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 425' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 12.6 pt-20 -73.06 -25.99 61.12 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.251 178.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 426' ' ' PHE . . . . . 0.575 ' O ' ' HG ' ' D' ' 430' ' ' LEU . 29.6 t80 -65.93 -41.78 90.93 Favored 'General case' 0 C--O 1.222 -0.368 0 N-CA-C 109.107 -0.701 . . . . 10.0 109.107 178.683 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 26.7 m0 -65.34 -37.74 88.0 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.53 -0.545 . . . . 10.0 109.53 178.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -65.6 -42.04 92.1 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.594 -0.891 . . . . 10.0 108.594 177.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 429' ' ' ASN . . . . . 0.457 ' HA ' ' HD2' ' D' ' 432' ' ' LYS . 8.3 t30 -65.55 -40.56 92.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.654 -0.703 . . . . 10.0 109.738 178.208 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 430' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' D' ' 426' ' ' PHE . 48.4 mt -57.39 -42.92 83.15 Favored 'General case' 0 CA--C 1.517 -0.318 0 N-CA-C 109.378 -0.601 . . . . 10.0 109.378 178.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -65.8 -45.6 81.78 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.983 -0.553 . . . . 10.0 109.807 178.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 432' ' ' LYS . . . . . 0.457 ' HD2' ' HA ' ' D' ' 429' ' ' ASN . 36.7 mttt -54.93 -44.86 74.65 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 109.577 -0.527 . . . . 10.0 109.577 178.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 433' ' ' GLU . . . . . 0.531 ' O ' ' HG ' ' D' ' 437' ' ' LEU . 63.0 mt-10 -67.57 -56.81 7.98 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.647 -0.706 . . . . 10.0 110.913 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 7.5 p -55.39 -53.35 57.3 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.755 0.65 . . . . 10.0 112.755 -178.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 435' ' ' GLU . . . . . 0.615 ' O ' ' HG3' ' D' ' 439' ' ' GLN . 6.1 mm-40 -60.68 -42.6 97.43 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-O 120.386 0.136 . . . . 10.0 110.793 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -62.26 -49.31 75.71 Favored Glycine 0 C--N 1.333 0.382 0 N-CA-C 110.99 -0.844 . . . . 10.0 110.99 179.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 437' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' D' ' 433' ' ' GLU . 84.1 mt -65.03 -32.02 73.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.556 0.217 . . . . 10.0 110.563 179.372 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 438' ' ' ARG . . . . . 0.433 ' HA ' ' HB2' ' D' ' 441' ' ' MET . 69.9 mtt180 -66.86 -32.31 73.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.563 -0.29 . . . . 10.0 110.888 179.451 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 439' ' ' GLN . . . . . 0.615 ' HG3' ' O ' ' D' ' 435' ' ' GLU . 96.2 mt-30 -64.81 -42.36 95.06 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 109.768 -0.456 . . . . 10.0 109.768 179.42 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 440' ' ' GLU . . . . . 0.458 ' CD ' ' HD3' ' A' ' 334' ' ' ARG . 0.9 OUTLIER -80.82 -25.32 37.86 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.451 178.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 441' ' ' MET . . . . . 0.433 ' HB2' ' HA ' ' D' ' 438' ' ' ARG . 47.9 mmm -74.59 -41.03 61.2 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.106 -0.497 . . . . 10.0 112.033 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 1.6 p -62.5 -42.91 99.82 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 108.911 -0.774 . . . . 10.0 108.911 178.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -63.42 -41.91 98.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.227 -0.897 . . . . 10.0 109.244 178.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -62.09 -50.13 73.16 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-N 115.415 -0.811 . . . . 10.0 110.224 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 97.6 mt -62.19 -46.39 89.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.872 -179.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -63.62 -46.84 83.89 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.777 0.322 . . . . 10.0 110.925 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 447' ' ' GLU . . . . . 0.635 ' HB3' HH21 ' A' ' 330' ' ' ARG . 1.1 tt0 -69.46 -25.42 64.07 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 109.813 -0.44 . . . . 10.0 109.813 179.534 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 448' ' ' VAL . . . . . 0.439 HG23 HH22 ' A' ' 330' ' ' ARG . 1.2 t -65.52 -38.07 81.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 109.296 -0.631 . . . . 10.0 109.296 178.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 84.3 mttt -65.24 -33.5 76.14 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.905 -0.776 . . . . 10.0 108.905 178.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -84.95 1.5 47.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.925 -1.034 . . . . 10.0 110.649 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 451' ' ' LYS . . . . . 0.589 ' O ' ' HB2' ' D' ' 455' ' ' TYR . 35.4 mmtm -111.13 -47.67 3.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.147 179.478 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 72.3 t -57.47 -45.15 85.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.046 -0.525 . . . . 10.0 111.793 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -57.72 -61.23 7.71 Favored Pre-proline 0 CA--C 1.536 0.412 0 N-CA-C 112.973 0.731 . . . . 10.0 112.973 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_endo -63.37 -29.63 72.34 Favored 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 121.56 1.506 . . . . 10.0 111.579 178.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 455' ' ' TYR . . . . . 0.589 ' HB2' ' O ' ' D' ' 451' ' ' LYS . 1.8 t80 -67.91 -43.75 78.51 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.097 -0.705 . . . . 10.0 109.097 178.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 17.8 mt -68.74 -40.71 79.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.554 -0.748 . . . . 10.0 109.949 178.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -59.68 -51.43 69.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.471 179.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 458' ' ' ASP . . . . . 0.447 ' HA ' ' HD2' ' D' ' 461' ' ' LYS . 34.8 t70 -64.9 -38.64 91.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.965 -0.562 . . . . 10.0 110.828 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 2.2 m-30 -66.72 -45.2 79.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.035 -0.529 . . . . 10.0 110.432 179.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -61.91 -35.0 77.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.382 -0.372 . . . . 10.0 110.508 179.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 461' ' ' LYS . . . . . 0.447 ' HD2' ' HA ' ' D' ' 458' ' ' ASP . 58.8 mttt -61.94 -49.25 76.88 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 108.827 -0.805 . . . . 10.0 108.827 178.173 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 6.9 mtmm -65.38 -37.2 86.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.483 -0.781 . . . . 10.0 110.64 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 28.4 m0 -64.4 -40.75 96.41 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.362 -0.607 . . . . 10.0 109.362 178.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -64.62 -46.42 82.67 Favored 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 109.355 -0.609 . . . . 10.0 109.355 178.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 465' ' ' GLU . . . . . 0.529 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 39.2 mt-10 -57.21 -51.86 67.65 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.171 178.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.75 -42.88 98.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.574 179.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 42.0 ttm -62.65 -41.95 99.34 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.957 0.408 . . . . 10.0 110.384 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -70.11 -32.13 70.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.065 0.46 . . . . 10.0 109.785 178.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 469' ' ' LEU . . . . . 0.535 HD21 ' HG3' ' A' ' 308' ' ' ARG . 47.6 mt -66.87 -36.28 81.95 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.143 -0.688 . . . . 10.0 109.143 178.186 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 19.4 m-30 -65.58 -32.24 73.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.312 0.577 . . . . 10.0 109.785 178.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 471' ' ' ARG . . . . . 0.798 ' HA ' ' HG3' ' D' ' 475' ' ' GLU . 65.0 mtt180 -74.4 -23.51 58.97 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.586 -0.733 . . . . 10.0 110.707 179.086 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -101.04 -5.84 25.23 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.123 -0.489 . . . . 10.0 111.15 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 473' ' ' LYS . . . . . 0.693 ' HG2' HD13 ' A' ' 301' ' ' LEU . 58.2 mttp -125.92 -74.9 0.59 Allowed 'General case' 0 C--O 1.221 -0.414 0 CA-C-N 116.446 -0.343 . . . . 10.0 111.272 -179.656 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 44.4 t -52.24 -45.14 43.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 112.603 0.594 . . . . 10.0 112.603 -179.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 475' ' ' GLU . . . . . 0.798 ' HG3' ' HA ' ' D' ' 471' ' ' ARG . 9.6 mt-10 -59.43 -60.94 8.95 Favored Pre-proline 0 C--N 1.328 -0.365 0 N-CA-C 112.917 0.71 . . . . 10.0 112.917 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -63.5 -34.28 65.39 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 121.832 1.688 . . . . 10.0 111.67 178.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 477' ' ' LEU . . . . . 0.565 ' HA ' ' HB2' ' D' ' 480' ' ' GLU . 29.1 mt -67.84 -25.69 65.67 Favored 'General case' 0 CA--C 1.52 -0.21 0 N-CA-C 109.98 -0.378 . . . . 10.0 109.98 178.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 478' ' ' ARG . . . . . 0.418 ' O ' ' HB2' ' D' ' 482' ' ' GLN . 12.8 mtt-85 -66.14 -30.16 70.59 Favored 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 108.336 -0.986 . . . . 10.0 108.336 178.076 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 479' ' ' ALA . . . . . 0.4 ' O ' ' HB3' ' D' ' 482' ' ' GLN . . . -81.81 -36.28 28.55 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.458 -0.792 . . . . 10.0 108.866 178.136 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 480' ' ' GLU . . . . . 0.565 ' HB2' ' HA ' ' D' ' 477' ' ' LEU . 0.6 OUTLIER -60.34 -48.57 81.19 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 108.316 -0.994 . . . . 10.0 108.316 177.832 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 94.3 mt -73.26 -22.64 60.34 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.207 -0.906 . . . . 10.0 110.008 178.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 482' ' ' GLN . . . . . 0.418 ' HB2' ' O ' ' D' ' 478' ' ' ARG . 4.6 tp60 -67.27 -56.1 11.21 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 108.828 -0.804 . . . . 10.0 108.828 178.457 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.84 -31.06 71.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.791 -0.641 . . . . 10.0 109.595 178.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -67.14 -48.52 58.98 Favored Glycine 0 N--CA 1.449 -0.498 0 N-CA-C 110.363 -1.095 . . . . 10.0 110.363 178.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -65.57 -39.05 91.21 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 110.137 -0.319 . . . . 10.0 110.137 178.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -59.46 -47.32 85.93 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 109.525 -0.546 . . . . 10.0 109.525 178.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 487' ' ' GLN . . . . . 0.515 ' O ' ' HG3' ' D' ' 491' ' ' GLU . 11.0 mm100 -65.36 -43.46 90.76 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-N 115.829 -0.623 . . . . 10.0 109.67 178.499 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -59.34 -46.16 89.37 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 123.347 0.405 . . . . 10.0 110.146 179.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 69.2 mt -64.6 -37.55 87.94 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.224 178.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -64.21 -46.85 82.06 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.384 -0.969 . . . . 10.0 108.384 178.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 491' ' ' GLU . . . . . 0.515 ' HG3' ' O ' ' D' ' 487' ' ' GLN . 43.5 mt-10 -57.55 -44.19 85.03 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 108.497 -0.927 . . . . 10.0 108.497 178.145 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 492' ' ' LEU . . . . . 0.541 ' O ' ' HG ' ' D' ' 496' ' ' LEU . 64.3 mt -63.0 -57.28 11.23 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 115.356 -0.838 . . . . 10.0 111.024 179.565 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -54.36 -40.55 68.22 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.856 0.36 . . . . 10.0 111.778 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -62.91 -17.18 61.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.677 -0.692 . . . . 10.0 111.463 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 495' ' ' LYS . . . . . 0.955 ' HE3' HD22 ' A' ' 279' ' ' LEU . 15.2 mttp -110.59 -30.73 7.5 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.266 -0.424 . . . . 10.0 110.541 179.013 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 496' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' D' ' 492' ' ' LEU . 98.6 mt -63.84 -33.15 75.04 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.199 -0.455 . . . . 10.0 111.421 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 497' ' ' SER . . . . . 0.412 ' HB2' ' CD ' ' D' ' 498' ' ' PRO . 11.8 m -69.77 -61.75 2.84 Favored Pre-proline 0 C--N 1.324 -0.507 0 C-N-CA 120.869 -0.332 . . . . 10.0 111.37 178.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 498' ' ' PRO . . . . . 0.412 ' CD ' ' HB2' ' D' ' 497' ' ' SER . 27.9 Cg_endo -62.16 -46.46 12.7 Favored 'Trans proline' 0 C--N 1.356 0.926 0 C-N-CA 121.845 1.696 . . . . 10.0 111.921 179.36 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 499' ' ' LEU . . . . . 0.512 ' HB2' ' O ' ' D' ' 495' ' ' LYS . 29.8 mt -68.24 -32.05 71.97 Favored 'General case' 0 CA--C 1.517 -0.314 0 C-N-CA 121.016 -0.274 . . . . 10.0 111.073 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -66.33 -46.94 74.73 Favored Glycine 0 N--CA 1.451 -0.351 0 N-CA-C 110.153 -1.179 . . . . 10.0 110.153 178.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -62.42 -39.55 93.66 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.206 -0.665 . . . . 10.0 109.206 178.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 502' ' ' GLU . . . . . 0.567 ' HG2' ' HE ' ' D' ' 506' ' ' ARG . 32.5 tt0 -67.21 -47.03 72.09 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.285 -0.87 . . . . 10.0 110.342 179.54 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 503' ' ' MET . . . . . 0.629 ' HA ' ' HD2' ' D' ' 506' ' ' ARG . 77.2 mmm -59.69 -40.0 86.42 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.781 179.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 61.8 mtt180 -68.94 -37.65 79.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.061 178.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 505' ' ' ASP . . . . . 0.407 ' HA ' ' HD2' ' D' ' 508' ' ' ARG . 0.5 OUTLIER -68.39 -37.14 80.1 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 109.343 -0.614 . . . . 10.0 109.343 178.583 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 506' ' ' ARG . . . . . 0.629 ' HD2' ' HA ' ' D' ' 503' ' ' MET . 45.2 mtt180 -63.47 -45.54 90.31 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 107.425 -1.324 . . . . 10.0 107.425 177.322 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -60.38 -41.11 93.09 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 115.486 -0.779 . . . . 10.0 109.652 179.175 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 508' ' ' ARG . . . . . 0.407 ' HD2' ' HA ' ' D' ' 505' ' ' ASP . 77.8 mtt180 -59.86 -44.98 93.85 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.197 -0.668 . . . . 10.0 109.197 178.466 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 509' ' ' ALA . . . . . 0.652 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -63.85 -35.08 79.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.634 -0.712 . . . . 10.0 110.832 179.451 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -74.67 -50.82 16.24 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.046 -0.524 . . . . 10.0 110.202 179.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 511' ' ' VAL . . . . . 0.474 ' O ' ' HG3' ' D' ' 515' ' ' ARG . 77.9 t -61.51 -44.42 98.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.403 -0.362 . . . . 10.0 110.723 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 512' ' ' ASP . . . . . 0.689 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 29.2 t70 -63.75 -34.31 77.59 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 121.115 0.483 . . . . 10.0 110.224 179.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -68.65 -49.66 57.32 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.55 -0.907 . . . . 10.0 108.55 177.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 514' ' ' LEU . . . . . 0.604 ' HA ' ' HB2' ' D' ' 517' ' ' HIS . 91.7 mt -58.29 -25.62 62.04 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.77 -0.65 . . . . 10.0 111.212 179.419 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 515' ' ' ARG . . . . . 0.689 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 90.4 mtt180 -62.73 -38.54 90.92 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-O 121.187 0.517 . . . . 10.0 110.034 178.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -100.3 -5.14 27.89 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.978 -0.555 . . . . 10.0 110.953 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 517' ' ' HIS . . . . . 0.604 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 20.7 m170 -98.93 -44.81 6.2 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.114 -0.494 . . . . 10.0 112.096 -179.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 84.0 mt -95.3 -47.72 6.2 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 113.235 0.828 . . . . 10.0 113.235 -177.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 519' ' ' ALA . . . . . 0.621 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -54.26 -59.02 11.18 Favored Pre-proline 0 CA--C 1.535 0.399 0 N-CA-C 113.676 0.991 . . . . 10.0 113.676 -178.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 520' ' ' PRO . . . . . 0.621 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 31.1 Cg_exo -62.32 -36.09 69.61 Favored 'Trans proline' 0 C--N 1.354 0.846 0 C-N-CA 121.772 1.648 . . . . 10.0 111.029 179.31 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 521' ' ' TYR . . . . . 0.467 ' HA ' ' OE1' ' D' ' 524' ' ' GLU . 24.2 t80 -66.8 -32.99 74.63 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.583 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 522' ' ' SER . . . . . 0.521 ' O ' ' HG3' ' D' ' 526' ' ' ARG . 67.1 m -65.84 -36.96 84.91 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.504 -0.554 . . . . 10.0 109.504 178.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 523' ' ' ASP . . . . . 0.436 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 10.1 t70 -70.44 -34.97 73.06 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.214 -0.661 . . . . 10.0 109.214 178.664 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 524' ' ' GLU . . . . . 0.467 ' OE1' ' HA ' ' D' ' 521' ' ' TYR . 74.8 mt-10 -68.84 -36.52 78.28 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 107.957 -1.127 . . . . 10.0 107.957 177.403 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 29.9 mt -65.85 -36.77 84.37 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.311 -0.859 . . . . 10.0 108.996 177.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 526' ' ' ARG . . . . . 0.521 ' HG3' ' O ' ' D' ' 522' ' ' SER . 77.9 mtt180 -58.93 -41.78 88.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.069 179.041 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -61.46 -45.17 95.37 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.189 0.519 . . . . 10.0 109.627 178.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 528' ' ' ARG . . . . . 0.654 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 89.5 mtt180 -66.55 -42.47 87.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.65 -0.705 . . . . 10.0 109.819 179.24 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 77.2 mt -64.75 -34.79 79.18 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.36 -0.382 . . . . 10.0 110.132 179.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 530' ' ' ALA . . . . . 0.488 ' O ' ' HB2' ' D' ' 534' ' ' GLU . . . -64.65 -42.65 95.27 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.587 -0.524 . . . . 10.0 109.587 178.735 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -72.08 -34.28 68.57 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-O 121.194 0.521 . . . . 10.0 109.981 178.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 16.5 ttm180 -67.53 -48.41 67.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.912 -0.586 . . . . 10.0 109.733 178.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 533' ' ' LEU . . . . . 0.663 HD23 HD12 ' D' ' 536' ' ' LEU . 83.8 mt -68.81 -24.93 64.45 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.893 -0.594 . . . . 10.0 109.42 178.686 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 534' ' ' GLU . . . . . 0.488 ' HB2' ' O ' ' D' ' 530' ' ' ALA . 12.9 tt0 -64.1 -46.05 85.92 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 108.244 -1.021 . . . . 10.0 108.244 178.471 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -64.3 -39.58 94.2 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.015 -0.735 . . . . 10.0 109.015 178.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 536' ' ' LEU . . . . . 0.663 HD12 HD23 ' D' ' 533' ' ' LEU . 91.7 mt -66.19 -28.11 68.5 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.577 -0.738 . . . . 10.0 110.736 179.501 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 43.5 mtmt -81.94 -44.87 16.17 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.818 -0.438 . . . . 10.0 109.818 178.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -62.17 -56.05 22.6 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.861 -0.609 . . . . 10.0 109.863 179.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -70.05 -27.91 65.03 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.856 -0.611 . . . . 10.0 109.664 179.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -64.76 -44.58 94.6 Favored Glycine 0 N--CA 1.446 -0.655 0 N-CA-C 110.329 -1.108 . . . . 10.0 110.329 178.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -63.63 -37.44 94.74 Favored Glycine 0 N--CA 1.45 -0.384 0 N-CA-C 110.392 -1.083 . . . . 10.0 110.392 178.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -67.2 -42.72 83.69 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.351 -0.611 . . . . 10.0 109.351 178.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 543' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' D' ' 543' ' ' ARG . 49.6 mtt85 -60.11 -40.06 88.38 Favored 'General case' 0 C--O 1.222 -0.381 0 CA-C-N 115.418 -0.81 . . . . 10.0 109.978 178.446 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 87.8 mt -63.1 -43.87 97.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.802 0.334 . . . . 10.0 110.304 179.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -62.48 -45.58 92.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.981 -0.554 . . . . 10.0 109.565 178.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 546' ' ' GLU . . . . . 0.591 ' O ' ' HD2' ' D' ' 550' ' ' LYS . 28.2 mt-10 -63.87 -46.31 85.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.542 -0.754 . . . . 10.0 110.246 178.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -55.59 -44.84 77.3 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.317 -0.401 . . . . 10.0 110.271 179.44 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -66.03 -42.4 89.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.272 -0.422 . . . . 10.0 110.722 179.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -64.28 -45.49 87.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.805 -0.634 . . . . 10.0 110.211 179.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 550' ' ' LYS . . . . . 0.591 ' HD2' ' O ' ' D' ' 546' ' ' GLU . 0.0 OUTLIER -68.62 -34.74 76.28 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.211 -0.449 . . . . 10.0 110.363 179.655 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -62.93 -44.67 95.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.186 179.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -67.06 -43.84 81.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.07 -0.513 . . . . 10.0 110.368 179.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -60.74 -48.59 81.12 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 109.584 -0.524 . . . . 10.0 109.584 178.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -59.05 -51.82 68.42 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.533 -0.758 . . . . 10.0 109.783 179.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 46.8 tp -57.81 -39.99 78.91 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.45 -0.341 . . . . 10.0 110.977 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 50.7 m -61.73 -46.63 88.79 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 109.781 -0.452 . . . . 10.0 109.781 179.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 557' ' ' THR . . . . . 0.457 ' HA ' ' HB3' ' D' ' 560' ' ' GLU . 41.0 p -73.89 -19.84 60.59 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 120.943 0.402 . . . . 10.0 111.294 179.392 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 36.9 mt -74.77 -53.71 8.68 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.161 -0.681 . . . . 10.0 109.161 178.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 5.5 m -65.16 -29.34 70.16 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.547 -0.538 . . . . 10.0 109.547 178.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 560' ' ' GLU . . . . . 0.457 ' HB3' ' HA ' ' D' ' 557' ' ' THR . 3.1 tt0 -58.46 -33.58 69.9 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.209 -0.905 . . . . 10.0 110.247 178.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 561' ' ' LYS . . . . . 0.843 ' HE2' ' HA ' ' A' ' 213' ' ' THR . 49.4 mttp -99.46 -33.12 10.8 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 116.009 -0.542 . . . . 10.0 110.806 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -52.57 -44.92 66.21 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.281 -0.418 . . . . 10.0 111.931 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -64.68 -62.34 5.09 Favored Pre-proline 0 CA--C 1.537 0.444 0 N-CA-C 112.891 0.7 . . . . 10.0 112.891 -179.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -60.15 -36.34 89.02 Favored 'Trans proline' 0 C--N 1.355 0.883 0 C-N-CA 121.955 1.77 . . . . 10.0 112.317 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 565' ' ' ALA . . . . . 0.525 ' O ' ' HG ' ' D' ' 569' ' ' LEU . . . -66.08 -47.74 73.27 Favored 'General case' 0 C--O 1.224 -0.252 0 N-CA-C 110.025 -0.361 . . . . 10.0 110.025 179.169 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 566' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' D' ' 566' ' ' LEU . 16.7 mt -62.05 -40.11 94.67 Favored 'General case' 0 CA--C 1.52 -0.197 0 N-CA-C 110.012 -0.366 . . . . 10.0 110.012 179.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -62.44 -48.09 81.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.309 -0.405 . . . . 10.0 110.126 179.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.31 -39.58 94.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.173 179.548 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 569' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' D' ' 565' ' ' ALA . 67.8 mt -63.23 -49.44 74.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.019 178.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 570' ' ' ARG . . . . . 0.668 ' O ' ' HG ' ' D' ' 574' ' ' LEU . 87.5 mtt180 -61.46 -53.51 55.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.87 0.367 . . . . 10.0 110.39 179.472 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -62.76 -19.5 64.04 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.755 -0.657 . . . . 10.0 111.632 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -90.06 -34.19 8.38 Favored Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 111.069 -0.812 . . . . 10.0 111.069 178.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 573' ' ' LEU . . . . . 0.728 ' HA ' HG12 ' D' ' 576' ' ' VAL . 67.5 mt -72.39 -34.14 67.7 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 122.207 0.203 . . . . 10.0 110.825 179.431 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 574' ' ' LEU . . . . . 0.668 ' HG ' ' O ' ' D' ' 570' ' ' ARG . 73.5 mt -49.49 -59.55 6.46 Favored Pre-proline 0 CA--C 1.536 0.436 0 N-CA-C 112.714 0.635 . . . . 10.0 112.714 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 575' ' ' PRO . . . . . 0.596 ' HD3' ' HB2' ' D' ' 574' ' ' LEU . 72.0 Cg_endo -77.09 -35.56 1.72 Allowed 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 121.846 1.697 . . . . 10.0 112.274 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 576' ' ' VAL . . . . . 0.728 HG12 ' HA ' ' D' ' 573' ' ' LEU . 0.4 OUTLIER -63.42 -36.93 78.11 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.078 0 C-N-CA 120.951 -0.3 . . . . 10.0 111.642 -179.277 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 30.1 mt -66.06 -38.2 87.72 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 109.766 -0.457 . . . . 10.0 109.766 179.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 578' ' ' GLU . . . . . 0.411 ' O ' HG23 ' D' ' 582' ' ' VAL . 52.3 mm-40 -64.41 -47.5 78.92 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.972 -0.558 . . . . 10.0 109.517 179.117 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 16.2 m -60.51 -38.86 85.75 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.044 -0.525 . . . . 10.0 110.125 178.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 5.0 m-30 -67.28 -39.56 86.05 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.282 178.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 83.2 mttt -62.69 -45.43 92.83 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 109.835 -0.431 . . . . 10.0 109.835 178.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 582' ' ' VAL . . . . . 0.411 HG23 ' O ' ' D' ' 578' ' ' GLU . 84.1 t -58.71 -47.17 89.77 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 CA-C-N 115.73 -0.668 . . . . 10.0 110.44 179.055 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 1.3 p -66.16 -35.64 81.01 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.659 -0.246 . . . . 10.0 111.172 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -67.3 -44.29 79.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.025 0.44 . . . . 10.0 110.28 178.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 63.7 mt -62.14 -46.99 86.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.812 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 2.6 p -64.83 -31.96 73.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.036 0.446 . . . . 10.0 110.535 179.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 587' ' ' ALA . . . . . 0.746 ' HA ' ' HE2' ' A' ' 396' ' ' LYS . . . -71.05 -52.15 21.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.523 179.215 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 96.3 mt -58.52 -42.38 87.58 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.0 -0.546 . . . . 10.0 111.451 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -61.94 -54.21 44.98 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.371 -0.377 . . . . 10.0 111.081 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -63.76 -36.2 83.1 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.43 -0.35 . . . . 10.0 111.5 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 3.0 m-30 -62.11 -45.15 94.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.933 0.397 . . . . 10.0 110.407 178.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 22.8 m -68.87 -28.15 66.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 10.0 111.254 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -73.38 -40.49 64.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.98 0.419 . . . . 10.0 110.612 179.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 9.8 mptt -77.47 -52.39 9.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.291 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 64.9 mt -87.76 65.27 8.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.183 0.516 . . . . 10.0 110.397 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 . . . . . 0 C--N 1.326 -0.431 0 CA-C-N 115.796 -0.638 . . . . 10.0 110.724 -179.728 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 8.2 m . . . . . 0 N--CA 1.455 -0.193 0 CA-C-O 120.681 0.277 . . . . 10.0 110.579 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 1.4 m -77.84 120.89 23.37 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.935 0.398 . . . . 10.0 110.384 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.426 ' HA ' ' HB3' ' B' ' 52' ' ' LEU . 22.0 tt0 -79.65 141.8 36.15 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.048 -0.524 . . . . 10.0 110.375 -179.553 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -137.86 107.75 6.31 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.665 0.269 . . . . 10.0 110.285 179.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.552 ' HA ' ' HB3' ' B' ' 54' ' ' ASP . 44.9 mttm -78.49 112.91 16.03 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.994 -0.548 . . . . 10.0 111.037 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.827 HD12 HG12 ' B' ' 55' ' ' ILE . 6.0 mt -111.28 122.51 48.04 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.899 -0.592 . . . . 10.0 110.622 -179.143 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 42.2 t -111.34 117.73 55.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 109.801 -0.444 . . . . 10.0 109.801 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 11.4 t -84.84 122.49 38.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 109.438 -0.579 . . . . 10.0 109.438 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 17.4 m -117.82 166.68 11.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 120.778 0.323 . . . . 10.0 111.457 -179.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 138.95 -176.32 20.99 Favored Glycine 0 N--CA 1.444 -0.796 0 N-CA-C 111.045 -0.822 . . . . 10.0 111.045 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -88.37 -171.17 3.25 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.704 0.288 . . . . 10.0 110.405 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.67 156.6 18.92 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.099 0.476 . . . . 10.0 111.116 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 79.83 -15.43 15.11 Favored Glycine 0 N--CA 1.446 -0.677 0 CA-C-N 115.903 -0.589 . . . . 10.0 114.442 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.559 HG23 ' HG3' ' B' ' 16' ' ' LYS . 32.6 m -65.88 -25.74 36.93 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 CA-C-N 117.695 0.747 . . . . 10.0 112.523 -178.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 97.6 31.63 6.65 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.695 -0.764 . . . . 10.0 113.15 179.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . 0.559 ' HG3' HG23 ' B' ' 14' ' ' VAL . 50.9 mtpt -55.28 -57.87 10.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.923 0.392 . . . . 10.0 110.538 179.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.81 -36.51 82.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.579 -0.737 . . . . 10.0 111.535 -179.164 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.96 -39.48 78.21 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 120.757 0.313 . . . . 10.0 110.436 179.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 64.7 mt -65.18 -42.44 93.63 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.76 178.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.12 -44.81 78.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 10.0 110.625 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 79.8 mt -59.09 -37.35 67.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.862 -0.608 . . . . 10.0 111.207 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' GLN . . . . . 0.627 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 7.1 mm-40 -68.84 -17.9 64.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.368 -0.378 . . . . 10.0 111.943 179.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 3.3 tp -99.89 -28.45 13.11 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.051 0.453 . . . . 10.0 110.754 179.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 49.1 mm -84.68 -54.72 8.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.02 -0.536 . . . . 10.0 111.5 -179.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . 0.423 ' HB2' ' HD2' ' B' ' 27' ' ' HIS . 83.7 mt-30 -99.39 -11.48 21.12 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.251 -0.432 . . . . 10.0 111.256 -179.105 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . 0.627 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 0.5 OUTLIER 63.3 42.78 6.65 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.021 -0.536 . . . . 10.0 112.211 179.071 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . 0.423 ' HD2' ' HB2' ' B' ' 25' ' ' GLN . 2.1 p80 -151.05 159.74 44.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.356 -0.384 . . . . 10.0 110.888 179.359 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' PHE . . . . . 0.447 ' HB2' ' NE2' ' B' ' 22' ' ' GLN . 53.7 t80 -97.83 139.5 33.59 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.984 0.421 . . . . 10.0 111.269 -179.272 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 3.4 m -100.96 116.48 44.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.339 179.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -80.67 -25.92 37.92 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.938 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -85.71 130.45 34.56 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.105 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -82.34 114.18 20.63 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 109.904 -0.406 . . . . 10.0 109.904 179.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . 0.452 ' HA ' ' HD3' ' B' ' 34' ' ' PRO . 4.5 t70 -111.36 123.0 36.07 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.966 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' B' ' 33' ' ' ASP . 16.0 Cg_exo -69.7 80.83 0.84 Allowed 'Trans proline' 0 N--CA 1.46 -0.475 0 C-N-CA 122.547 2.165 . . . . 10.0 110.837 179.191 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.44 102.18 3.13 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.477 179.662 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.638 ' HA ' ' HB2' ' B' ' 59' ' ' ALA . 46.5 mm -80.81 -49.7 18.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 123.411 0.445 . . . . 10.0 110.688 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -153.1 101.89 2.6 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.911 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -142.51 146.18 34.44 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.314 -0.624 . . . . 10.0 109.314 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . 0.552 ' HB3' HD12 ' B' ' 56' ' ' LEU . 1.9 p -134.27 153.53 51.81 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 111.996 0.369 . . . . 10.0 111.996 -179.034 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -138.99 137.43 36.35 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.002 -0.545 . . . . 10.0 110.094 -179.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.522 ' HA ' ' O ' ' B' ' 53' ' ' LEU . 1.0 OUTLIER -111.15 121.22 44.75 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.649 0.261 . . . . 10.0 110.61 -179.913 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 55.3 tttp -129.46 121.99 28.4 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.783 0.325 . . . . 10.0 111.065 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -93.87 120.26 33.89 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.156 -0.683 . . . . 10.0 109.156 179.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 2.8 m -138.71 165.74 23.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.397 -0.365 . . . . 10.0 111.414 -178.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 44.9 t -100.49 107.91 22.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.374 -0.602 . . . . 10.0 109.374 179.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 12.0 mt -124.82 130.28 73.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.372 -0.377 . . . . 10.0 110.519 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 60.41 24.02 13.57 Favored 'General case' 0 N--CA 1.464 0.27 0 O-C-N 123.654 0.596 . . . . 10.0 112.168 179.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 86.32 9.83 75.39 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.998 -0.62 . . . . 10.0 113.004 179.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -123.72 142.62 50.9 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.787 0.327 . . . . 10.0 111.239 -179.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 3.9 m -83.61 105.76 14.79 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 107.657 -1.238 . . . . 10.0 107.657 178.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 5.5 m -102.37 142.54 33.42 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 112.409 0.522 . . . . 10.0 112.409 -177.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.426 ' HB3' ' HA ' ' B' ' 3' ' ' GLU . 67.9 tp -105.11 99.21 8.83 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.078 -1.082 . . . . 10.0 108.078 178.099 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . 0.622 HD22 HD11 ' B' ' 6' ' ' LEU . 42.1 mt -75.59 116.74 16.62 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 112.824 0.676 . . . . 10.0 112.824 -178.189 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . 0.552 ' HB3' ' HA ' ' B' ' 5' ' ' LYS . 39.4 t0 -105.27 79.79 1.52 Allowed 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 107.419 -1.326 . . . . 10.0 107.419 178.119 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' ILE . . . . . 0.827 HG12 HD12 ' B' ' 6' ' ' LEU . 0.8 OUTLIER -91.17 141.89 13.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.718 -0.674 . . . . 10.0 112.299 -176.941 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.552 HD12 ' HB3' ' B' ' 39' ' ' SER . 3.3 tt -141.33 131.49 24.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.75 -0.659 . . . . 10.0 110.44 179.588 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . 0.415 ' OD1' ' HE2' ' B' ' 16' ' ' LYS . 18.0 t0 -97.37 132.52 43.01 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 109.862 -0.421 . . . . 10.0 109.862 178.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 22.0 p -100.69 163.81 12.16 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.01 -0.541 . . . . 10.0 111.19 -178.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' ALA . . . . . 0.638 ' HB2' ' HA ' ' B' ' 36' ' ' ILE . . . -80.45 115.7 20.12 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.775 0.321 . . . . 10.0 110.514 179.54 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -86.62 39.32 3.08 Favored Glycine 0 CA--C 1.52 0.378 0 C-N-CA 120.747 -0.739 . . . . 10.0 112.707 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -111.8 13.11 21.01 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.489 0.185 . . . . 10.0 111.366 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.471 ' HB3' ' H ' ' B' ' 63' ' ' GLU . 39.7 mm-40 59.99 -161.09 0.28 Allowed 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.269 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . 0.471 ' H ' ' HB3' ' B' ' 62' ' ' GLU . 3.7 mm-40 71.78 -39.14 0.44 Allowed 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 113.469 0.914 . . . . 10.0 113.469 179.077 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -77.11 44.45 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 111.984 0.365 . . . . 10.0 111.984 -179.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.33 -37.46 87.36 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.486 -0.325 . . . . 10.0 110.533 179.635 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.79 -39.24 90.75 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.648 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 90.4 mtp -77.53 -23.32 50.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.613 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' ARG . . . . . 0.716 ' HB3' HE22 ' B' ' 99' ' ' GLN . 5.5 ttp180 -61.34 -43.56 98.67 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.58 -0.736 . . . . 10.0 111.974 -179.342 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -65.09 -26.36 68.19 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.688 0.28 . . . . 10.0 111.092 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -65.51 -63.86 1.0 Allowed 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.332 0.493 . . . . 10.0 112.332 -178.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' TYR . . . . . 0.689 ' CZ ' ' HA ' ' B' ' 68' ' ' ARG . 4.3 p90 -66.92 -19.7 65.77 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 112.881 0.697 . . . . 10.0 112.881 -178.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . 0.613 ' HE2' HG13 ' B' ' 100' ' ' ILE . 42.5 mtt -70.73 -25.79 63.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.191 0.519 . . . . 10.0 110.5 179.155 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 41.9 ttm105 -79.95 -43.76 21.5 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.786 -0.643 . . . . 10.0 110.459 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -75.84 -28.13 58.1 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.946 -0.57 . . . . 10.0 111.833 -179.405 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -70.02 137.44 28.27 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.65 -0.786 . . . . 10.0 113.538 -178.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -97.49 -45.1 6.56 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.077 0.465 . . . . 10.0 109.942 179.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' GLY . . . . . 0.4 ' HA3' HD11 ' B' ' 163' ' ' ILE . . . -121.98 137.06 11.29 Favored Glycine 0 N--CA 1.448 -0.507 0 N-CA-C 110.554 -1.018 . . . . 10.0 110.554 179.069 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . 0.423 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 93.2 m-85 -115.91 124.75 51.39 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.475 0.655 . . . . 10.0 111.716 -179.018 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.46 HD11 HG21 ' B' ' 114' ' ' VAL . 19.7 tp -96.85 108.89 21.66 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.476 -0.784 . . . . 10.0 110.186 -179.551 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . 0.432 ' HB3' HD12 ' B' ' 93' ' ' ILE . 18.6 m -87.23 102.27 14.32 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.902 -0.407 . . . . 10.0 109.902 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 66.2 t -107.54 132.88 53.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.129 0.49 . . . . 10.0 111.306 -178.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 33.0 p90 -139.97 163.48 32.57 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.723 -0.671 . . . . 10.0 109.544 179.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.596 ' HB3' ' HB3' ' B' ' 86' ' ' ASN . . . -97.92 131.85 44.02 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.867 -0.42 . . . . 10.0 109.867 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . 0.642 HD13 ' HA ' ' B' ' 118' ' ' CYS . 29.5 pt -64.84 -18.24 23.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 112.339 0.496 . . . . 10.0 112.339 -178.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 15.7 p-10 -107.63 12.79 27.26 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 121.253 0.549 . . . . 10.0 110.885 179.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.596 ' HB3' ' HB3' ' B' ' 83' ' ' ALA . 18.0 t-20 -131.2 90.61 2.9 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.453 -0.794 . . . . 10.0 109.473 179.637 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -65.17 -25.31 67.67 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.145 -0.48 . . . . 10.0 112.063 -178.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 25.7 tptp -58.69 -48.64 80.42 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.281 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 78.5 p -66.21 -26.34 67.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.076 -0.511 . . . . 10.0 111.347 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -67.96 -36.9 80.87 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.205 -0.452 . . . . 10.0 110.96 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -73.81 -34.99 64.83 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.83 0.348 . . . . 10.0 110.708 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -61.62 -22.88 65.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.779 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 93' ' ' ILE . . . . . 0.432 HD12 ' HB3' ' B' ' 80' ' ' CYS . 50.4 mm -58.83 -36.43 61.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.315 -0.402 . . . . 10.0 110.728 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 64.5 t60 -70.89 -45.03 65.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.756 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -60.18 -44.86 94.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.299 -0.409 . . . . 10.0 111.24 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -63.93 -46.83 82.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.08 -0.509 . . . . 10.0 109.875 178.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 17.3 ttt180 -54.82 -46.69 74.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.425 -0.807 . . . . 10.0 111.492 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -65.06 -31.75 73.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.026 -0.534 . . . . 10.0 112.328 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 99' ' ' GLN . . . . . 0.716 HE22 ' HB3' ' B' ' 68' ' ' ARG . 32.3 tt0 -74.7 -44.64 49.06 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 121.044 -0.262 . . . . 10.0 110.978 179.617 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . 0.613 HG13 ' HE2' ' B' ' 72' ' ' MET . 77.9 mt -55.58 -47.06 79.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.355 0.597 . . . . 10.0 109.898 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -70.28 -17.11 63.09 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.536 -0.757 . . . . 10.0 112.266 -179.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 8.5 tmm_? -85.41 -43.26 13.78 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.654 -0.499 . . . . 10.0 109.654 178.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 103' ' ' VAL . . . . . 0.455 HG23 ' O ' ' B' ' 99' ' ' GLN . 54.9 t -65.6 -43.68 93.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.406 179.352 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -87.64 -7.28 57.65 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.348 -179.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 30.4 t70 48.23 66.96 0.92 Allowed 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 112.899 0.703 . . . . 10.0 112.899 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 40.5 t -166.15 150.15 7.76 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.869 -0.605 . . . . 10.0 110.002 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -97.4 -4.16 38.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.94 0.4 . . . . 10.0 110.718 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -113.82 86.98 2.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.07 -0.514 . . . . 10.0 110.769 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 58.7 t -121.74 132.11 24.3 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.312 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -64.62 101.92 0.39 Allowed 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.932 2.421 . . . . 10.0 111.771 179.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 111' ' ' MET . . . . . 0.423 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 54.1 mtm -134.09 141.47 47.17 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.149 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 92.0 t -127.26 132.21 69.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 109.589 -0.522 . . . . 10.0 109.589 179.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 19.6 tp -90.4 118.33 29.8 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.103 -0.703 . . . . 10.0 109.103 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 114' ' ' VAL . . . . . 0.46 HG21 HD11 ' B' ' 79' ' ' LEU . 68.9 t -117.59 120.91 66.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.146 0.498 . . . . 10.0 111.815 -178.339 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -91.56 117.65 5.26 Favored Glycine 0 N--CA 1.444 -0.817 0 N-CA-C 109.437 -1.465 . . . . 10.0 109.437 178.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -100.5 160.49 14.31 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 112.388 0.514 . . . . 10.0 112.388 -178.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 82.6 mttt 64.11 36.18 9.88 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 114.858 -1.064 . . . . 10.0 111.866 179.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 118' ' ' CYS . . . . . 0.642 ' HA ' HD13 ' B' ' 84' ' ' ILE . 91.3 m -67.69 -9.16 41.13 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.485 0.55 . . . . 10.0 112.485 -179.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.68 -17.37 51.37 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.636 0.255 . . . . 10.0 110.694 179.577 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 89.4 mt -80.85 141.59 51.42 Favored Pre-proline 0 C--N 1.332 -0.186 0 CA-C-N 116.187 -0.46 . . . . 10.0 111.169 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -87.13 174.4 5.33 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 122.543 2.162 . . . . 10.0 111.56 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 36.3 m 58.26 51.97 7.89 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.333 0.587 . . . . 10.0 112.051 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 123' ' ' ARG . . . . . 0.502 ' HB3' HD12 ' B' ' 84' ' ' ILE . 11.9 ptp180 -76.16 148.51 37.73 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.775 -0.648 . . . . 10.0 110.741 179.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 16.9 p -96.28 -35.1 11.36 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.016 0.436 . . . . 10.0 110.076 179.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 40.8 t -96.71 110.82 25.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.051 -0.522 . . . . 10.0 109.841 179.012 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 126' ' ' ASP . . . . . 0.506 ' O ' ' HG2' ' B' ' 129' ' ' GLN . 2.0 t70 -78.58 159.49 28.09 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.943 -0.391 . . . . 10.0 109.943 179.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.13 -49.67 76.32 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 112.935 0.716 . . . . 10.0 112.935 -178.548 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 128' ' ' LYS . . . . . 0.639 ' HB2' ' HA ' ' C' ' 47' ' ' ASP . 0.0 OUTLIER -56.47 -39.59 73.46 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 113.719 1.007 . . . . 10.0 113.719 -178.743 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . 0.506 ' HG2' ' O ' ' B' ' 126' ' ' ASP . 17.4 pt20 -67.97 -27.45 66.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.032 0.444 . . . . 10.0 111.666 -178.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -88.15 -36.6 16.76 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.571 -0.529 . . . . 10.0 109.571 179.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -67.25 -46.3 74.14 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 115.831 -0.622 . . . . 10.0 111.909 -179.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -61.95 -42.17 98.81 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.948 0.404 . . . . 10.0 110.579 179.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 133' ' ' LEU . . . . . 0.429 HD12 ' HA ' ' B' ' 133' ' ' LEU . 10.9 tp -63.0 -47.6 82.42 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.012 -0.54 . . . . 10.0 110.376 179.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.81 -37.9 89.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.5 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 135' ' ' ARG . . . . . 0.488 ' HD3' ' HB2' ' C' ' 165' ' ' LYS . 5.5 tmm_? -63.27 -38.75 92.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.62 -0.718 . . . . 10.0 110.225 179.355 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 21.9 t -65.82 -42.97 89.93 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.86 -0.609 . . . . 10.0 111.232 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -75.72 -35.4 60.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.336 -0.393 . . . . 10.0 111.841 -179.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 102.27 35.48 3.88 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.786 -0.721 . . . . 10.0 112.154 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 139' ' ' ILE . . . . . 0.405 ' HA ' ' HD3' ' B' ' 140' ' ' PRO . 34.3 pt -121.99 148.57 51.81 Favored Pre-proline 0 C--N 1.326 -0.431 0 N-CA-C 110.224 -0.287 . . . . 10.0 110.224 179.549 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 140' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' B' ' 139' ' ' ILE . 7.4 Cg_exo -74.82 149.94 38.35 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 122.831 2.354 . . . . 10.0 111.735 179.615 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -132.69 127.24 34.37 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.009 -0.541 . . . . 10.0 109.949 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 49.5 mt -134.29 134.13 55.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.562 -0.29 . . . . 10.0 110.738 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 143' ' ' GLU . . . . . 0.49 ' HB3' ' SG ' ' B' ' 118' ' ' CYS . 26.4 mt-10 -86.5 135.67 33.37 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.6 -0.889 . . . . 10.0 108.6 177.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 20.3 p -132.72 162.31 31.75 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.159 0.8 . . . . 10.0 113.159 -178.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 29.1 t -154.85 103.62 2.44 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.099 -1.075 . . . . 10.0 108.099 178.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 146' ' ' ALA . . . . . 0.474 ' HB1' ' HG3' ' B' ' 22' ' ' GLN . . . -64.74 -34.91 79.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.996 -0.547 . . . . 10.0 111.515 -179.125 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -61.21 -28.05 68.87 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.213 0.449 . . . . 10.0 112.213 -179.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 14.0 p -105.8 -3.7 21.69 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 121.124 -0.231 . . . . 10.0 111.307 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 149' ' ' ARG . . . . . 0.654 HH21 ' HB ' ' B' ' 152' ' ' VAL . 0.8 OUTLIER 57.11 37.47 28.57 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 121.233 0.54 . . . . 10.0 110.858 179.712 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -117.0 131.09 57.04 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.566 0.58 . . . . 10.0 112.566 -178.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 76.64 -8.75 26.09 Favored Glycine 0 C--N 1.333 0.363 0 N-CA-C 115.077 0.791 . . . . 10.0 115.077 177.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 152' ' ' VAL . . . . . 0.654 ' HB ' HH21 ' B' ' 149' ' ' ARG . 61.7 t -65.52 -43.27 94.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 117.462 0.631 . . . . 10.0 111.616 -178.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -62.06 -42.02 98.75 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.776 -0.453 . . . . 10.0 109.776 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -57.81 -43.33 85.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.187 -0.915 . . . . 10.0 111.999 -179.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -58.19 -45.7 87.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 10.0 111.42 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -69.01 -40.51 78.65 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.369 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 6.2 m-30 -65.33 -41.62 93.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 10.0 111.416 -179.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 35.0 m -66.22 -42.14 89.11 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.982 -0.554 . . . . 10.0 112.257 -179.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 62.6 tp -61.83 -42.09 98.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.683 0.278 . . . . 10.0 111.687 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 91.8 t -62.12 -39.37 83.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.341 0.591 . . . . 10.0 110.118 179.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 161' ' ' ARG . . . . . 0.404 ' HG2' ' HG3' ' C' ' 135' ' ' ARG . 9.9 ttp180 -62.39 -38.81 91.05 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.338 -0.846 . . . . 10.0 110.891 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -64.76 -37.33 87.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.298 -0.41 . . . . 10.0 111.086 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 163' ' ' ILE . . . . . 0.4 HD11 ' HA3' ' B' ' 77' ' ' GLY . 44.5 mt -69.64 -47.16 72.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 109.8 -0.445 . . . . 10.0 109.8 179.344 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 41.0 ttm105 -60.21 -38.19 82.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.606 -0.725 . . . . 10.0 109.541 179.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 115.469 -0.787 . . . . 10.0 110.422 179.498 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 CA-C-O 120.89 0.376 . . . . 10.0 111.284 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 2' ' ' THR . . . . . 0.618 ' HB ' ' CE2' ' C' ' 4' ' ' TYR . 0.3 OUTLIER -81.67 126.66 32.04 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.292 -0.413 . . . . 10.0 109.966 -179.378 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -90.52 132.59 35.6 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.382 -0.372 . . . . 10.0 110.844 -179.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 4' ' ' TYR . . . . . 0.618 ' CE2' ' HB ' ' C' ' 2' ' ' THR . 98.2 m-85 -128.44 106.54 9.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.51 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 5' ' ' LYS . . . . . 0.607 ' HA ' ' HB3' ' C' ' 54' ' ' ASP . 41.3 mttm -81.13 111.1 17.27 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.28 -0.418 . . . . 10.0 109.901 179.468 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . 0.464 ' O ' ' HA ' ' C' ' 55' ' ' ILE . 18.2 mt -113.27 125.65 54.54 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.897 -178.655 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 43.9 t -113.36 122.55 67.71 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 N-CA-C 109.942 -0.392 . . . . 10.0 109.942 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.726 HG12 ' HD2' ' C' ' 16' ' ' LYS . 3.0 t -87.38 114.92 27.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 108.987 -0.746 . . . . 10.0 108.987 179.622 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . 0.507 ' HB ' ' HD1' ' C' ' 96' ' ' TYR . 15.1 m -113.4 148.3 16.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.119 0.485 . . . . 10.0 111.425 -179.309 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 154.84 171.83 21.98 Favored Glycine 0 N--CA 1.444 -0.803 0 N-CA-C 111.16 -0.776 . . . . 10.0 111.16 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.66 -175.58 0.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.336 0.589 . . . . 10.0 112.181 -179.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.2 146.27 25.46 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.756 -0.657 . . . . 10.0 110.913 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 73.5 13.11 80.27 Favored Glycine 0 CA--C 1.523 0.543 0 CA-C-N 115.806 -0.634 . . . . 10.0 114.28 179.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 32.0 m -84.81 -25.56 6.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 112.788 0.662 . . . . 10.0 112.788 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 115.39 16.52 7.06 Favored Glycine 0 C--N 1.334 0.446 0 C-N-CA 120.297 -0.954 . . . . 10.0 114.418 179.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . 0.726 ' HD2' HG12 ' C' ' 8' ' ' VAL . 21.1 mtmm -59.54 -40.55 87.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.044 0.449 . . . . 10.0 112.053 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 43.2 m -75.51 -44.08 45.63 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 110.092 -0.336 . . . . 10.0 110.092 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.33 -49.91 68.64 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.881 -0.6 . . . . 10.0 111.661 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 78.2 mt -60.82 -45.38 94.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.398 -0.365 . . . . 10.0 111.493 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 14.6 m -66.32 -49.83 65.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.261 -0.427 . . . . 10.0 111.298 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 94.3 mt -60.38 -34.87 59.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.561 -0.29 . . . . 10.0 111.374 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 22' ' ' GLN . . . . . 0.695 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 2.8 mm-40 -61.58 -24.47 66.69 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.483 0.549 . . . . 10.0 112.483 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . 0.779 HD21 ' HA ' ' C' ' 153' ' ' ASP . 7.6 mp -106.25 -28.43 10.43 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 111.686 0.254 . . . . 10.0 111.686 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 24' ' ' ILE . . . . . 0.439 HD11 HD12 ' C' ' 55' ' ' ILE . 43.6 mm -78.0 -57.34 5.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-O 120.791 0.329 . . . . 10.0 110.866 179.419 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -96.89 -14.77 21.57 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.36 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 26' ' ' ASN . . . . . 0.695 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 21.9 m-80 66.13 52.49 1.16 Allowed 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 113.87 1.063 . . . . 10.0 113.87 178.511 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -162.52 161.94 27.17 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.559 -0.291 . . . . 10.0 110.293 178.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -101.63 137.6 39.73 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.939 0.4 . . . . 10.0 111.208 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 11.1 m -97.44 128.28 48.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.202 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -94.36 -29.55 14.95 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.504 0.669 . . . . 10.0 109.295 179.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -80.17 138.9 36.95 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.48 -0.782 . . . . 10.0 110.626 -179.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -89.77 113.32 24.84 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.587 -179.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -127.61 108.47 20.76 Favored Pre-proline 0 C--N 1.321 -0.633 0 C-N-CA 120.928 -0.309 . . . . 10.0 111.008 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_exo -58.73 130.36 36.62 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 122.729 2.286 . . . . 10.0 111.498 179.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 35' ' ' THR . . . . . 0.501 ' CG2' ' HB2' ' C' ' 38' ' ' ASP . 2.2 m -104.46 123.63 47.82 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.494 -179.262 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 45.5 mm -83.82 -57.18 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.872 0.368 . . . . 10.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -161.74 78.84 0.55 Allowed 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.48 -0.563 . . . . 10.0 109.48 -179.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 38' ' ' ASP . . . . . 0.501 ' HB2' ' CG2' ' C' ' 35' ' ' THR . 0.1 OUTLIER -111.76 127.36 55.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.186 -179.196 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.06 149.46 30.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.978 -0.555 . . . . 10.0 111.391 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -137.7 141.76 41.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.708 -0.678 . . . . 10.0 109.483 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' C' ' 53' ' ' LEU . 1.7 mpp_? -115.57 130.05 56.73 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.732 0.301 . . . . 10.0 110.939 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 56.8 tttp -133.52 133.64 42.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -108.92 106.48 16.48 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.814 -0.439 . . . . 10.0 109.814 179.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 1.5 m -128.36 161.45 36.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 120.966 0.412 . . . . 10.0 111.21 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -93.81 106.88 18.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.312 179.143 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 68.1 mt -113.12 119.41 60.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.456 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 47' ' ' ASP . . . . . 0.664 ' HB2' HH12 ' C' ' 164' ' ' ARG . 19.7 m-20 63.24 32.23 15.03 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.159 -0.928 . . . . 10.0 111.431 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.68 -4.56 78.44 Favored Glycine 0 C--N 1.33 0.25 0 CA-C-N 115.753 -0.658 . . . . 10.0 113.035 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -110.57 133.53 53.22 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.653 0.263 . . . . 10.0 110.988 -178.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.41 125.92 27.98 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.274 -0.639 . . . . 10.0 109.274 178.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 17.3 m -123.76 131.69 53.65 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 112.396 0.517 . . . . 10.0 112.396 -178.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 41.5 tp -100.13 102.55 13.9 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 107.874 -1.158 . . . . 10.0 107.874 177.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . 0.408 ' O ' ' HA ' ' C' ' 41' ' ' ARG . 19.0 mt -86.17 127.6 34.75 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 113.186 0.809 . . . . 10.0 113.186 -177.41 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . 0.607 ' HB3' ' HA ' ' C' ' 5' ' ' LYS . 18.6 t0 -108.08 87.83 2.59 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 107.341 -1.355 . . . . 10.0 107.341 177.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 55' ' ' ILE . . . . . 0.464 ' HA ' ' O ' ' C' ' 6' ' ' LEU . 3.1 mt -93.55 147.25 5.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.038 -0.528 . . . . 10.0 112.028 -176.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 9.6 tp -147.62 130.02 15.75 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.372 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 57' ' ' ASP . . . . . 0.617 ' OD1' ' HE2' ' C' ' 16' ' ' LYS . 29.0 t0 -91.08 138.58 31.49 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 109.721 -0.474 . . . . 10.0 109.721 178.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 33.2 p -103.97 147.83 26.91 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.22 0.533 . . . . 10.0 111.792 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.81 103.32 5.84 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.733 -0.667 . . . . 10.0 109.769 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -82.99 22.51 6.75 Favored Glycine 0 C--O 1.228 -0.221 0 C-N-CA 121.199 -0.525 . . . . 10.0 113.081 -179.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -91.18 1.61 56.97 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.176 -0.676 . . . . 10.0 109.176 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 62' ' ' GLU . . . . . 0.462 ' HB3' ' H ' ' C' ' 63' ' ' GLU . 40.0 mm-40 67.77 -157.94 0.21 Allowed 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.401 -0.818 . . . . 10.0 111.444 -179.354 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 63' ' ' GLU . . . . . 0.462 ' H ' ' HB3' ' C' ' 62' ' ' GLU . 1.3 tt0 76.2 -24.3 0.22 Allowed 'General case' 0 N--CA 1.466 0.347 0 O-C-N 123.609 0.568 . . . . 10.0 111.582 -179.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 64' ' ' TYR . . . . . 0.599 ' HB3' ' HB3' ' C' ' 67' ' ' MET . 47.4 m-85 -96.13 79.87 3.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.528 -0.306 . . . . 10.0 110.532 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -78.11 -59.62 2.71 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.011 -0.54 . . . . 10.0 111.048 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.72 -35.48 65.09 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.85 -0.614 . . . . 10.0 111.981 -179.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 67' ' ' MET . . . . . 0.599 ' HB3' ' HB3' ' C' ' 64' ' ' TYR . 27.5 ttt -61.4 -35.58 77.91 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.153 0.501 . . . . 10.0 110.937 179.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 68' ' ' ARG . . . . . 0.645 ' O ' ' HG2' ' C' ' 72' ' ' MET . 13.4 ttp180 -65.72 -32.28 73.75 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.883 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.38 -23.83 67.43 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.318 -0.401 . . . . 10.0 111.344 -179.567 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -62.22 -58.88 6.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.478 -0.328 . . . . 10.0 111.655 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 71' ' ' TYR . . . . . 0.593 ' CE2' ' HA ' ' C' ' 68' ' ' ARG . 0.1 OUTLIER -72.45 -14.04 61.59 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.446 0.535 . . . . 10.0 112.446 -179.53 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 72' ' ' MET . . . . . 0.645 ' HG2' ' O ' ' C' ' 68' ' ' ARG . 19.3 mmt -69.43 -22.29 63.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.113 0.482 . . . . 10.0 110.538 179.227 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 73' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' C' ' 73' ' ' ARG . 68.6 mtt85 -86.12 -49.38 7.81 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.649 -179.323 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.34 -40.17 74.25 Favored 'General case' 0 C--O 1.238 0.45 0 O-C-N 123.348 0.405 . . . . 10.0 111.925 -179.247 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.73 135.38 38.23 Favored Glycine 0 C--N 1.333 0.376 0 O-C-N 123.579 0.549 . . . . 10.0 112.922 -179.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -100.9 -52.79 3.21 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.841 -0.429 . . . . 10.0 109.841 179.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 77' ' ' GLY . . . . . 0.444 ' HA2' ' HB2' ' C' ' 110' ' ' PRO . . . -102.11 124.71 8.29 Favored Glycine 0 N--CA 1.441 -0.998 0 N-CA-C 111.1 -0.8 . . . . 10.0 111.1 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 78' ' ' PHE . . . . . 0.459 ' HB2' ' HG3' ' C' ' 111' ' ' MET . 96.9 m-85 -105.6 122.59 46.35 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.414 0.626 . . . . 10.0 111.513 -179.511 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 79' ' ' LEU . . . . . 0.533 HD23 HG13 ' C' ' 8' ' ' VAL . 18.5 tp -96.66 97.65 9.54 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.452 -0.794 . . . . 10.0 109.66 -179.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 80' ' ' CYS . . . . . 0.776 ' HB3' HD12 ' C' ' 93' ' ' ILE . 79.4 m -79.67 101.32 8.31 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.959 0.409 . . . . 10.0 110.294 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 62.0 t -106.73 129.49 60.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.857 -0.61 . . . . 10.0 111.554 -179.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -135.67 167.67 20.69 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.636 -0.711 . . . . 10.0 109.451 179.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -106.38 135.18 48.32 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.486 -0.325 . . . . 10.0 110.193 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 84' ' ' ILE . . . . . 0.495 HD12 ' HB3' ' C' ' 123' ' ' ARG . 39.9 pt -68.02 -12.36 15.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 112.316 0.487 . . . . 10.0 112.316 -179.622 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -97.7 -13.66 21.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.245 0.545 . . . . 10.0 110.04 179.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 48.6 t-20 -106.81 93.91 4.82 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.966 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.23 -35.68 74.09 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.609 -0.723 . . . . 10.0 112.099 -179.098 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 14.6 tttp -65.07 -40.04 94.11 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.496 -0.32 . . . . 10.0 111.619 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 89' ' ' SER . . . . . 0.491 ' HA ' ' HB2' ' C' ' 92' ' ' ASP . 95.2 p -61.02 -28.18 68.86 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.842 0.353 . . . . 10.0 111.412 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 92.6 t80 -69.73 -36.93 76.28 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.416 0.626 . . . . 10.0 109.33 178.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -80.06 -27.86 39.31 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.6 -0.727 . . . . 10.0 109.705 179.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 92' ' ' ASP . . . . . 0.491 ' HB2' ' HA ' ' C' ' 89' ' ' SER . 0.2 OUTLIER -58.92 -35.73 73.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.547 -0.751 . . . . 10.0 110.664 178.948 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 93' ' ' ILE . . . . . 0.776 HD12 ' HB3' ' C' ' 80' ' ' CYS . 51.5 mm -59.17 -39.12 77.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.74 -0.664 . . . . 10.0 111.07 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -59.5 -41.07 89.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.39 -0.368 . . . . 10.0 110.321 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 31.1 m-70 -74.01 -39.76 63.37 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.954 -0.566 . . . . 10.0 110.894 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 96' ' ' TYR . . . . . 0.507 ' HD1' ' HB ' ' C' ' 9' ' ' VAL . 3.2 m-85 -63.91 -46.97 82.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.718 179.391 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -57.51 -42.44 82.78 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.951 -0.568 . . . . 10.0 111.245 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -66.46 -37.39 85.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.293 -0.412 . . . . 10.0 111.72 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 99' ' ' GLN . . . . . 0.621 ' O ' HG23 ' C' ' 103' ' ' VAL . 21.7 tt0 -63.53 -45.71 89.34 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.337 -0.616 . . . . 10.0 109.337 179.315 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 100' ' ' ILE . . . . . 0.513 HG12 ' SD ' ' C' ' 72' ' ' MET . 81.9 mt -56.81 -46.76 83.5 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 CA-C-N 115.713 -0.676 . . . . 10.0 110.387 179.467 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 101' ' ' LYS . . . . . 0.483 ' HB3' ' HE2' ' C' ' 101' ' ' LYS . 31.3 mtpt -59.98 -39.22 84.96 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.837 -0.62 . . . . 10.0 111.174 179.512 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 8.2 tmm_? -70.11 -46.51 64.68 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.477 -0.783 . . . . 10.0 111.706 -179.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 103' ' ' VAL . . . . . 0.621 HG23 ' O ' ' C' ' 99' ' ' GLN . 40.1 t -62.86 -50.85 78.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 112.067 0.395 . . . . 10.0 112.067 -179.304 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 22.4 mtpp -79.8 -16.12 56.13 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 112.546 0.573 . . . . 10.0 112.546 -178.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 3.7 t70 60.01 48.06 9.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.686 0.755 . . . . 10.0 110.591 -179.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 44.8 m -147.79 139.96 24.28 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.578 -0.737 . . . . 10.0 110.981 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 26.8 tp10 -77.74 -42.21 34.99 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.444 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -96.54 107.99 20.49 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.095 -0.502 . . . . 10.0 111.14 -179.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 88.2 t -131.55 133.96 24.96 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.851 -0.613 . . . . 10.0 109.662 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 110' ' ' PRO . . . . . 0.451 ' HG3' ' HB2' ' C' ' 166' ' ' HIS . 51.9 Cg_exo -55.43 110.42 0.55 Allowed 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 122.552 2.168 . . . . 10.0 110.991 179.082 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 111' ' ' MET . . . . . 0.459 ' HG3' ' HB2' ' C' ' 78' ' ' PHE . 9.9 ttm -142.87 146.72 34.37 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.297 -178.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 88.6 t -133.79 131.47 56.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 109.573 -0.529 . . . . 10.0 109.573 179.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 113' ' ' LEU . . . . . 0.432 ' O ' ' HA ' ' C' ' 141' ' ' PHE . 15.4 tp -92.54 117.2 29.7 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.247 -0.649 . . . . 10.0 109.247 179.742 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 70.0 t -124.67 130.52 73.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 121.194 0.521 . . . . 10.0 111.898 -179.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -107.96 125.45 7.91 Favored Glycine 0 N--CA 1.444 -0.793 0 N-CA-C 110.285 -1.126 . . . . 10.0 110.285 178.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -103.38 168.42 9.17 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.943 0.372 . . . . 10.0 110.625 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 93.9 mttt 66.71 29.91 8.4 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 123.409 0.684 . . . . 10.0 112.001 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 118' ' ' CYS . . . . . 0.466 ' HA ' ' CD1' ' C' ' 84' ' ' ILE . 53.5 m -70.93 -6.7 40.55 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.32 0.489 . . . . 10.0 112.32 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -87.25 -8.67 56.54 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.295 -0.411 . . . . 10.0 110.216 179.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 1.7 mt -98.89 132.38 23.82 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.834 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.57 -174.73 2.12 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.993 2.462 . . . . 10.0 111.862 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 12.4 m 60.44 42.22 14.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.886 -0.597 . . . . 10.0 111.724 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 123' ' ' ARG . . . . . 0.575 ' HD3' ' O ' ' C' ' 125' ' ' VAL . 5.9 ptp180 -73.57 145.47 45.45 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.366 -0.379 . . . . 10.0 110.925 179.736 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 1.3 p -101.96 -18.24 15.76 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.193 0.52 . . . . 10.0 110.608 179.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 125' ' ' VAL . . . . . 0.575 ' O ' ' HD3' ' C' ' 123' ' ' ARG . 59.8 t -104.52 124.06 58.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.688 -0.687 . . . . 10.0 111.109 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 126' ' ' ASP . . . . . 0.402 ' HB2' ' HG2' ' C' ' 129' ' ' GLN . 0.8 OUTLIER -83.99 147.95 27.16 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.914 -0.585 . . . . 10.0 110.237 -179.781 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 127' ' ' THR . . . . . 0.622 HG23 ' HE2' ' C' ' 141' ' ' PHE . 10.7 m -68.39 -40.28 81.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.918 0.39 . . . . 10.0 110.401 179.686 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt -60.43 -47.74 84.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.666 -0.697 . . . . 10.0 110.78 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 129' ' ' GLN . . . . . 0.402 ' HG2' ' HB2' ' C' ' 126' ' ' ASP . 3.0 pt20 -66.64 -31.93 72.93 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.863 0.363 . . . . 10.0 111.256 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.14 -37.56 69.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.191 0.519 . . . . 10.0 109.735 179.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -71.3 -32.82 69.09 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.604 -0.725 . . . . 10.0 111.089 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -64.2 -41.64 96.98 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.276 0.56 . . . . 10.0 109.567 178.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 22.1 tp -67.58 -39.29 84.87 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.528 -0.76 . . . . 10.0 109.264 178.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.77 -36.47 84.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.532 -0.758 . . . . 10.0 109.894 179.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 135' ' ' ARG . . . . . 0.404 ' HG3' ' HG2' ' B' ' 161' ' ' ARG . 2.6 tmm_? -65.3 -38.26 89.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.989 -0.55 . . . . 10.0 109.832 179.389 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 9.7 t -66.56 -35.69 80.83 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.163 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 19.8 m-30 -79.82 -37.65 34.66 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.048 -0.523 . . . . 10.0 110.826 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 92.66 33.88 7.24 Favored Glycine 0 N--CA 1.446 -0.69 0 N-CA-C 110.48 -1.048 . . . . 10.0 110.48 -179.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 139' ' ' ILE . . . . . 0.428 HG21 ' HB3' ' C' ' 111' ' ' MET . 48.0 pt -126.02 157.24 70.13 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 115.635 -0.282 . . . . 10.0 110.381 -179.064 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_endo -79.35 150.53 22.45 Favored 'Trans proline' 0 CA--C 1.532 0.395 0 C-N-CA 122.253 1.969 . . . . 10.0 112.273 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 141' ' ' PHE . . . . . 0.622 ' HE2' HG23 ' C' ' 127' ' ' THR . 54.7 t80 -122.6 121.88 37.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.047 179.211 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 142' ' ' ILE . . . . . 0.425 HD12 ' HA ' ' C' ' 155' ' ' ALA . 59.6 mt -123.99 123.94 67.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.248 -0.433 . . . . 10.0 111.647 -179.056 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -84.06 129.59 34.9 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.409 -0.96 . . . . 10.0 108.409 178.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 46.5 p -135.45 168.54 19.03 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.564 0.697 . . . . 10.0 112.681 -178.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 13.7 t -146.61 113.2 5.99 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.192 -1.04 . . . . 10.0 108.192 178.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -65.11 -26.34 68.17 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.236 -0.438 . . . . 10.0 111.246 -179.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 31.1 mtpt -71.21 -22.82 61.96 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.824 0.676 . . . . 10.0 112.824 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -123.68 2.72 8.9 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.972 0.36 . . . . 10.0 111.972 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 14.7 ttt85 57.91 30.47 19.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.36 0.6 . . . . 10.0 110.22 -178.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -66.76 99.71 0.63 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.356 -0.838 . . . . 10.0 112.712 -178.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 61.36 16.46 49.62 Favored Glycine 0 CA--C 1.52 0.403 0 CA-C-N 115.751 -0.659 . . . . 10.0 114.663 178.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 49.5 t -64.96 -39.62 86.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 117.231 0.516 . . . . 10.0 110.424 -179.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 153' ' ' ASP . . . . . 0.779 ' HA ' HD21 ' C' ' 23' ' ' LEU . 0.4 OUTLIER -66.54 -45.1 80.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.892 -0.595 . . . . 10.0 110.355 -179.899 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -64.98 -40.22 94.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.593 -0.731 . . . . 10.0 112.073 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 155' ' ' ALA . . . . . 0.425 ' HA ' HD12 ' C' ' 142' ' ' ILE . . . -57.77 -43.93 85.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.684 179.66 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 156' ' ' PHE . . . . . 0.49 ' CD2' HD22 ' C' ' 23' ' ' LEU . 9.2 m-30 -69.43 -38.79 78.02 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.562 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 13.0 m-30 -63.35 -40.16 96.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.127 0.489 . . . . 10.0 110.645 179.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 158' ' ' THR . . . . . 0.607 ' HA ' ' HE ' ' C' ' 161' ' ' ARG . 92.6 m -62.52 -32.32 73.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.752 -0.658 . . . . 10.0 111.212 179.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 159' ' ' LEU . . . . . 0.455 ' HG ' HD22 ' C' ' 6' ' ' LEU . 38.0 tp -63.08 -34.25 77.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.35 0.595 . . . . 10.0 109.888 178.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 62.2 t -71.63 -37.29 62.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.695 -0.684 . . . . 10.0 109.688 178.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 161' ' ' ARG . . . . . 0.607 ' HE ' ' HA ' ' C' ' 158' ' ' THR . 0.9 OUTLIER -61.81 -38.61 88.75 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.726 -0.67 . . . . 10.0 109.932 179.242 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -62.33 -38.57 89.98 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.991 -0.549 . . . . 10.0 111.195 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 62.6 mt -64.01 -46.72 93.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-O 120.901 0.382 . . . . 10.0 110.448 179.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 164' ' ' ARG . . . . . 0.664 HH12 ' HB2' ' C' ' 47' ' ' ASP . 81.0 mtt180 -62.37 -40.88 97.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.902 -0.59 . . . . 10.0 109.664 179.306 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 165' ' ' LYS . . . . . 0.488 ' HB2' ' HD3' ' B' ' 135' ' ' ARG . 33.9 ttmt -62.41 -46.85 86.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.388 -0.823 . . . . 10.0 110.089 179.312 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 166' ' ' HIS . . . . . 0.451 ' HB2' ' HG3' ' C' ' 110' ' ' PRO . 15.3 t-80 -55.08 -50.41 69.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.603 -0.726 . . . . 10.0 110.721 179.588 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 47.4 mttt . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 116.338 -0.392 . . . . 10.0 111.544 -179.567 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 10.9 tttm . . . . . 0 C--O 1.233 0.204 0 CA-C-O 120.945 0.403 . . . . 10.0 110.716 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 91.2 mt -65.03 -34.95 79.66 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.003 -0.544 . . . . 10.0 111.416 -179.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 93.7 mt -71.53 -43.93 65.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.441 -0.345 . . . . 10.0 111.213 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -69.22 -45.03 70.86 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.326 -0.397 . . . . 10.0 110.924 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 206' ' ' ASN . . . . . 0.498 ' O ' HG23 ' A' ' 210' ' ' VAL . 3.2 m120 -59.27 -39.18 82.1 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 116.259 -0.428 . . . . 10.0 109.926 178.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 66.8 t90 -61.55 -40.4 94.56 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.733 -0.667 . . . . 10.0 109.846 179.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -61.93 -41.71 98.27 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.468 179.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 4.4 m -59.9 -40.59 89.27 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.003 179.022 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 210' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 206' ' ' ASN . 39.8 t -69.84 -41.34 79.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.971 -0.559 . . . . 10.0 109.893 179.043 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 24.7 m -57.25 -48.16 79.57 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.75 -0.659 . . . . 10.0 111.508 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 13.9 m -63.53 -39.91 95.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.378 -0.374 . . . . 10.0 110.6 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 34.4 m -63.0 -37.72 88.3 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.109 0.48 . . . . 10.0 109.989 179.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -64.54 -43.29 94.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.731 -0.668 . . . . 10.0 110.059 178.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 23.3 m -64.24 -45.95 85.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.048 -0.523 . . . . 10.0 110.103 179.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 47.6 mmtt -58.63 -44.63 90.07 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.181 0.515 . . . . 10.0 109.977 178.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 217' ' ' LEU . . . . . 0.436 HD21 ' HE1' ' D' ' 554' ' ' HIS . 28.3 mt -66.24 -36.34 82.75 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.69 -0.686 . . . . 10.0 111.207 179.574 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 218' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 218' ' ' ARG . 13.1 mtt85 -70.51 -38.01 74.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.589 -0.278 . . . . 10.0 110.908 179.666 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -64.74 -40.32 95.1 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.475 -0.565 . . . . 10.0 109.475 178.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -72.28 -28.76 63.32 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.435 -0.802 . . . . 10.0 109.441 178.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 2.0 mt -59.81 -31.01 69.31 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 116.143 -0.481 . . . . 10.0 111.024 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -56.04 -69.11 1.37 Allowed Glycine 0 C--N 1.33 0.213 0 N-CA-C 110.737 -0.945 . . . . 10.0 110.737 178.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_exo -55.85 -38.87 93.95 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.527 2.151 . . . . 10.0 110.737 177.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 8.7 t -55.46 -51.13 60.48 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-N 116.606 -0.27 . . . . 10.0 111.243 179.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 225' ' ' THR . . . . . 0.454 ' O ' ' HB2' ' A' ' 229' ' ' TRP . 2.3 p -67.03 -34.32 77.46 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 110.235 -0.283 . . . . 10.0 110.235 179.382 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -64.86 -52.38 56.93 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.152 -0.477 . . . . 10.0 110.084 178.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 227' ' ' GLU . . . . . 0.485 ' HG2' ' HG2' ' D' ' 546' ' ' GLU . 1.1 mp0 -58.37 -48.54 80.27 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 123.546 0.529 . . . . 10.0 110.464 179.147 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -59.75 -49.78 76.37 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.062 -0.517 . . . . 10.0 111.392 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 229' ' ' TRP . . . . . 0.454 ' HB2' ' O ' ' A' ' 225' ' ' THR . 0.8 OUTLIER -65.02 -39.93 94.12 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.207 -0.451 . . . . 10.0 110.975 179.902 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -58.15 -44.72 88.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.209 0.528 . . . . 10.0 110.189 179.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 231' ' ' ASN . . . . . 0.734 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 69.4 m-20 -71.45 -36.99 71.43 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.823 -0.626 . . . . 10.0 109.94 178.761 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 34.8 mt -62.21 -34.48 76.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.869 -0.605 . . . . 10.0 110.019 178.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -61.63 -39.17 90.33 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-N 116.014 -0.539 . . . . 10.0 110.083 178.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 234' ' ' LYS . . . . . 0.734 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 43.2 mttt -67.9 -34.43 76.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.981 -0.554 . . . . 10.0 109.51 179.03 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -71.62 -48.35 48.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.476 -0.783 . . . . 10.0 110.332 178.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 11.8 p -64.49 -41.13 96.64 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 109.803 -0.443 . . . . 10.0 109.803 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -63.33 -45.11 92.8 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 109.345 -0.613 . . . . 10.0 109.345 178.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -59.96 -45.84 95.17 Favored Glycine 0 N--CA 1.444 -0.831 0 N-CA-C 110.851 -0.9 . . . . 10.0 110.851 178.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 73.0 mt -66.02 -31.06 71.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.441 0.162 . . . . 10.0 111.033 179.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 240' ' ' ARG . . . . . 0.523 ' O ' ' HB3' ' A' ' 243' ' ' MET . 62.2 mtt180 -70.59 -36.91 73.81 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 109.153 -0.684 . . . . 10.0 109.153 178.649 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -73.27 -38.63 65.87 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.826 -0.805 . . . . 10.0 108.826 178.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -70.04 -19.12 63.31 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 115.604 -0.725 . . . . 10.0 110.049 178.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 243' ' ' MET . . . . . 0.755 ' HG3' HD12 ' A' ' 247' ' ' LEU . 33.4 ttm -62.83 -32.68 73.94 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.813 -0.81 . . . . 10.0 108.813 178.55 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -76.02 2.45 12.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.337 -0.847 . . . . 10.0 110.386 179.539 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 44.3 mttm -124.56 -61.15 1.35 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.94 -0.573 . . . . 10.0 109.923 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 246' ' ' ASP . . . . . 0.574 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 0.6 OUTLIER -57.27 -58.19 9.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.054 -0.521 . . . . 10.0 111.717 -179.524 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 247' ' ' LEU . . . . . 0.755 HD12 ' HG3' ' A' ' 243' ' ' MET . 82.9 mt -75.84 -43.45 45.82 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.168 0.432 . . . . 10.0 112.168 -179.137 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -59.14 -51.26 70.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.409 -0.359 . . . . 10.0 111.77 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -68.61 -32.79 72.93 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.95 0.352 . . . . 10.0 111.95 -179.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 250' ' ' VAL . . . . . 0.511 HG12 ' O ' ' A' ' 247' ' ' LEU . 1.8 p -68.56 -29.49 44.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 120.291 -0.564 . . . . 10.0 110.269 179.102 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 251' ' ' LYS . . . . . 0.48 ' HA ' ' HB ' ' A' ' 254' ' ' VAL . 90.0 mttt -83.98 -41.4 17.33 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.209 0.528 . . . . 10.0 109.848 178.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -62.95 -39.45 94.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.342 0.591 . . . . 10.0 109.695 178.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -87.79 -3.81 58.92 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.683 -0.69 . . . . 10.0 110.635 179.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 254' ' ' VAL . . . . . 0.48 ' HB ' ' HA ' ' A' ' 251' ' ' LYS . 0.3 OUTLIER -67.5 -31.66 53.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 109.872 -0.418 . . . . 10.0 109.872 179.634 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 255' ' ' GLN . . . . . 0.421 ' HB2' ' CD ' ' A' ' 256' ' ' PRO . 36.4 mt-30 -65.06 -62.53 4.64 Favored Pre-proline 0 N--CA 1.45 -0.451 0 CA-C-N 115.823 -0.626 . . . . 10.0 111.521 179.739 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 256' ' ' PRO . . . . . 0.421 ' CD ' ' HB2' ' A' ' 255' ' ' GLN . 13.4 Cg_endo -57.62 -35.68 98.76 Favored 'Trans proline' 0 C--N 1.357 0.977 0 C-N-CA 121.948 1.765 . . . . 10.0 112.447 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 4.6 m-30 -68.95 -53.63 19.77 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.864 0.364 . . . . 10.0 110.719 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 43.7 mt -65.03 -43.73 91.44 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-N 116.523 -0.308 . . . . 10.0 110.896 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 259' ' ' ASP . . . . . 0.465 ' O ' ' HB2' ' A' ' 263' ' ' LYS . 4.2 t70 -57.55 -45.56 84.98 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 123.529 0.518 . . . . 10.0 111.265 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -64.22 -51.71 62.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.29 -0.414 . . . . 10.0 111.053 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -66.05 -36.9 84.47 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 115.914 -0.584 . . . . 10.0 112.182 -179.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -69.51 -39.38 77.61 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.98 -0.378 . . . . 10.0 109.98 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 263' ' ' LYS . . . . . 0.473 ' HB2' ' HE3' ' A' ' 263' ' ' LYS . 15.2 ttmt -63.01 -45.04 94.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.868 -0.605 . . . . 10.0 109.37 178.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 264' ' ' LYS . . . . . 0.64 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 77.7 mttt -68.62 -41.09 79.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.587 -0.733 . . . . 10.0 110.245 178.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 1.9 m95 -59.75 -38.46 81.82 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.343 -0.614 . . . . 10.0 109.343 178.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -62.61 -45.83 91.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.837 -0.619 . . . . 10.0 109.589 178.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -64.48 -41.63 96.36 Favored 'General case' 0 C--O 1.232 0.146 0 N-CA-C 109.471 -0.566 . . . . 10.0 109.471 178.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 268' ' ' GLU . . . . . 0.544 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 16.3 mt-10 -59.14 -45.43 90.97 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.747 -0.66 . . . . 10.0 110.276 178.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 79.8 mmm -68.41 -43.77 76.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.789 -0.641 . . . . 10.0 110.588 179.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -60.48 -50.21 74.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.735 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 81.0 mt -61.47 -35.94 79.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.04 0.448 . . . . 10.0 110.237 179.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 272' ' ' TYR . . . . . 0.447 ' HD1' ' HA ' ' A' ' 272' ' ' TYR . 0.2 OUTLIER -67.52 -37.67 83.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.198 178.734 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 273' ' ' ARG . . . . . 0.534 ' HA ' HG12 ' A' ' 276' ' ' VAL . 97.8 mtt180 -75.55 -31.71 60.16 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.357 -0.383 . . . . 10.0 111.025 179.026 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -71.91 -21.34 61.64 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.304 -0.628 . . . . 10.0 109.304 178.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 275' ' ' LYS . . . . . 0.713 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 7.4 mptt -96.89 -37.44 10.22 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 115.656 -0.702 . . . . 10.0 110.924 179.13 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 276' ' ' VAL . . . . . 0.534 HG12 ' HA ' ' A' ' 273' ' ' ARG . 4.1 p -55.53 -33.61 33.06 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.236 0 N-CA-C 112.733 0.642 . . . . 10.0 112.733 -178.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 83.1 mt-10 -65.12 -62.37 4.84 Favored Pre-proline 0 CA--C 1.535 0.378 0 N-CA-C 111.632 0.234 . . . . 10.0 111.632 179.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -62.42 -35.39 72.49 Favored 'Trans proline' 0 C--N 1.354 0.831 0 C-N-CA 121.557 1.505 . . . . 10.0 111.839 178.385 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 279' ' ' LEU . . . . . 0.724 HD22 ' HE3' ' D' ' 495' ' ' LYS . 17.1 mt -65.46 -44.81 86.04 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.624 0.249 . . . . 10.0 110.455 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 33.9 ttm180 -65.0 -35.88 82.62 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.541 -0.54 . . . . 10.0 109.541 179.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -64.0 -44.93 91.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.997 -0.547 . . . . 10.0 109.721 178.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -65.23 -43.0 92.87 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.606 -0.516 . . . . 10.0 109.606 178.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 37.4 mt -63.55 -40.81 97.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.664 -0.698 . . . . 10.0 110.533 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -63.68 -53.0 58.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.737 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -63.73 -40.96 98.03 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.99 0.424 . . . . 10.0 110.373 179.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -63.49 -43.0 98.8 Favored Glycine 0 N--CA 1.446 -0.699 0 N-CA-C 110.71 -0.956 . . . . 10.0 110.71 178.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -64.67 -47.11 79.65 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.792 -0.447 . . . . 10.0 109.792 179.06 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 61.6 mtt180 -52.32 -47.04 66.22 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.941 179.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 5.1 tm0? -60.24 -51.0 71.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.852 179.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 42.1 mttt -67.15 -34.79 78.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.808 -0.633 . . . . 10.0 111.681 -178.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 80.6 mt -68.63 -43.07 77.1 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.013 -0.366 . . . . 10.0 110.013 179.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -66.8 -36.33 82.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.014 -0.539 . . . . 10.0 109.727 178.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.73 -39.41 94.0 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 109.063 -0.717 . . . . 10.0 109.063 178.29 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 63.3 mt -67.76 -43.28 80.22 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-N 115.705 -0.68 . . . . 10.0 110.275 179.07 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -61.56 -39.93 92.9 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.976 0.417 . . . . 10.0 110.477 179.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -64.12 -9.3 15.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.416 -0.811 . . . . 10.0 112.105 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . 0.554 ' O ' ' HB2' ' A' ' 301' ' ' LEU . 17.1 mmtp -116.94 -26.92 6.72 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.884 0.373 . . . . 10.0 109.999 178.365 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 298' ' ' LEU . . . . . 0.488 ' O ' ' HA3' ' A' ' 302' ' ' GLY . 28.4 mt -72.13 -30.87 65.47 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.175 -0.466 . . . . 10.0 111.557 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 299' ' ' SER . . . . . 0.442 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 6.6 m -77.67 -63.97 0.44 Allowed Pre-proline 0 C--N 1.323 -0.554 0 N-CA-C 112.68 0.622 . . . . 10.0 112.68 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 300' ' ' PRO . . . . . 0.442 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 18.9 Cg_endo -61.58 -51.99 3.57 Favored 'Trans proline' 0 C--N 1.356 0.939 0 C-N-CA 122.122 1.881 . . . . 10.0 112.425 -179.387 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 301' ' ' LEU . . . . . 0.722 ' HB3' ' HE3' ' D' ' 473' ' ' LYS . 81.1 mt -71.9 -20.77 61.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.944 0.402 . . . . 10.0 110.241 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 302' ' ' GLY . . . . . 0.488 ' HA3' ' O ' ' A' ' 298' ' ' LEU . . . -73.28 -53.02 8.0 Favored Glycine 0 N--CA 1.449 -0.462 0 N-CA-C 110.627 -0.989 . . . . 10.0 110.627 179.096 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 303' ' ' GLU . . . . . 0.466 ' HA ' ' HD2' ' A' ' 306' ' ' ARG . 2.7 mt-10 -64.03 -38.51 91.34 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.784 -0.45 . . . . 10.0 109.784 179.186 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.53 -44.14 95.09 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.452 -0.573 . . . . 10.0 109.452 178.405 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 305' ' ' MET . . . . . 0.427 ' SD ' HD13 ' D' ' 469' ' ' LEU . 9.9 tpt -64.56 -37.63 88.2 Favored 'General case' 0 C--O 1.226 -0.163 0 N-CA-C 109.23 -0.656 . . . . 10.0 109.23 178.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 306' ' ' ARG . . . . . 0.466 ' HD2' ' HA ' ' A' ' 303' ' ' GLU . 80.2 mtt180 -63.92 -41.4 97.66 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.971 -0.559 . . . . 10.0 109.56 178.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 307' ' ' ASP . . . . . 0.515 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 32.0 t70 -68.9 -36.92 78.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.942 -0.572 . . . . 10.0 109.901 179.235 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 308' ' ' ARG . . . . . 0.436 ' HG3' HD21 ' D' ' 469' ' ' LEU . 25.2 mmt180 -68.33 -33.79 74.94 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.013 -0.736 . . . . 10.0 109.013 177.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -64.99 -37.91 89.21 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.306 -0.998 . . . . 10.0 108.306 177.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 310' ' ' ARG . . . . . 0.515 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 79.0 mtt180 -60.83 -42.08 97.02 Favored 'General case' 0 C--O 1.223 -0.309 0 N-CA-C 108.55 -0.907 . . . . 10.0 108.55 177.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -67.53 -39.37 85.04 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.778 -0.646 . . . . 10.0 109.9 178.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -59.74 -52.32 66.0 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 108.983 -0.747 . . . . 10.0 108.983 178.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 91.0 t -67.2 -37.37 79.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.397 -0.82 . . . . 10.0 111.13 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -60.17 -45.4 93.21 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-O 120.937 0.398 . . . . 10.0 110.094 179.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -63.5 -39.77 95.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.864 -0.607 . . . . 10.0 109.738 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 74.8 mt -65.47 -51.03 63.0 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 115.715 -0.675 . . . . 10.0 110.069 178.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 19.1 ttm180 -57.72 -49.41 76.63 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.005 -0.543 . . . . 10.0 111.077 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 16.7 m -64.4 -31.21 72.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.225 -0.443 . . . . 10.0 111.652 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 319' ' ' HIS . . . . . 0.426 ' O ' ' HD2' ' A' ' 322' ' ' PRO . 0.4 OUTLIER -83.08 -41.36 18.69 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.957 -0.297 . . . . 10.0 111.44 179.793 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 320' ' ' LEU . . . . . 0.484 ' HA ' ' HB2' ' A' ' 323' ' ' TYR . 85.3 mt -71.7 -18.27 62.17 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.607 -0.27 . . . . 10.0 111.572 -179.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 321' ' ' ALA . . . . . 0.495 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -55.85 -58.87 13.54 Favored Pre-proline 0 CA--C 1.538 0.489 0 N-CA-C 112.017 0.376 . . . . 10.0 112.017 179.758 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 322' ' ' PRO . . . . . 0.495 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 59.8 Cg_endo -76.34 -27.72 7.67 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 121.499 1.466 . . . . 10.0 110.869 178.218 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 323' ' ' TYR . . . . . 0.484 ' HB2' ' HA ' ' A' ' 320' ' ' LEU . 10.5 m-30 -63.12 -42.16 99.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.18 -0.464 . . . . 10.0 111.674 -179.663 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 324' ' ' SER . . . . . 0.497 ' O ' ' HG3' ' A' ' 328' ' ' ARG . 5.7 p -64.59 -38.08 89.79 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.039 -0.356 . . . . 10.0 110.039 179.572 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -67.17 -46.53 73.71 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 115.838 -0.619 . . . . 10.0 109.399 178.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.8 -34.9 76.73 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.013 178.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 22.8 mt -65.54 -37.47 86.82 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.36 -0.607 . . . . 10.0 109.36 177.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 328' ' ' ARG . . . . . 0.497 ' HG3' ' O ' ' A' ' 324' ' ' SER . 66.1 mtt180 -65.83 -38.12 88.04 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 108.856 -0.794 . . . . 10.0 108.856 178.092 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -63.26 -42.28 99.14 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 108.933 -0.766 . . . . 10.0 108.933 178.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 330' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 330' ' ' ARG . 50.1 mtt-85 -64.23 -49.11 73.25 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-N 115.575 -0.738 . . . . 10.0 109.714 178.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 72.3 mt -58.18 -44.39 87.98 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.758 -0.655 . . . . 10.0 110.312 179.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -60.69 -50.19 74.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.482 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -60.99 -42.93 99.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.686 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 72.5 mtt-85 -65.63 -48.39 72.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.192 -0.458 . . . . 10.0 111.086 179.388 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 49.7 mt -61.65 -39.98 93.26 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.288 -0.414 . . . . 10.0 110.921 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -67.95 -44.56 76.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.567 -0.288 . . . . 10.0 110.828 179.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -63.64 -46.98 83.2 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.905 -0.406 . . . . 10.0 109.905 179.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 75.2 mt -69.64 -16.38 63.36 Favored 'General case' 0 C--O 1.225 -0.235 0 CA-C-N 115.93 -0.577 . . . . 10.0 111.806 179.427 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 13.4 tttt -75.99 -45.1 36.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.276 0.56 . . . . 10.0 109.726 178.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -71.46 -44.58 64.51 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.551 -0.907 . . . . 10.0 108.551 178.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 341' ' ' ASN . . . . . 0.449 ' O ' ' HG3' ' A' ' 345' ' ' ARG . 18.4 t-20 -62.75 -52.01 64.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 114.935 -1.03 . . . . 10.0 109.705 179.301 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -62.45 -40.02 98.55 Favored Glycine 0 N--CA 1.449 -0.474 0 CA-C-N 115.795 -0.639 . . . . 10.0 111.886 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -61.53 -39.7 97.7 Favored Glycine 0 N--CA 1.453 -0.212 0 N-CA-C 111.003 -0.839 . . . . 10.0 111.003 179.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -70.63 -41.37 72.28 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.486 -0.561 . . . . 10.0 109.486 178.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 345' ' ' ARG . . . . . 0.449 ' HG3' ' O ' ' A' ' 341' ' ' ASN . 52.5 mtm180 -62.42 -41.18 98.5 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.611 -0.722 . . . . 10.0 110.223 179.193 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 80.5 mt -63.15 -43.39 98.45 Favored 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 109.872 -0.418 . . . . 10.0 109.872 178.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.15 -40.89 91.41 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 109.372 -0.603 . . . . 10.0 109.372 178.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 348' ' ' GLU . . . . . 0.45 ' HB3' ' HE2' ' A' ' 352' ' ' LYS . 15.8 mt-10 -69.61 -41.55 75.55 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.588 -0.733 . . . . 10.0 109.919 178.412 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -59.76 -40.76 89.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.403 179.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 28.8 m-70 -64.25 -41.23 97.05 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.676 -0.49 . . . . 10.0 109.676 178.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -65.16 -47.15 78.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.741 -0.663 . . . . 10.0 109.857 178.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 352' ' ' LYS . . . . . 0.45 ' HE2' ' HB3' ' A' ' 348' ' ' GLU . 24.8 mttm -61.15 -42.4 98.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.952 -0.567 . . . . 10.0 109.951 178.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.38 -39.16 82.44 Favored 'General case' 0 C--O 1.224 -0.282 0 N-CA-C 109.493 -0.558 . . . . 10.0 109.493 178.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 27.3 m -63.97 -43.2 96.49 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.962 -0.563 . . . . 10.0 109.981 178.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -65.89 -38.88 89.91 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.004 0.43 . . . . 10.0 110.345 178.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 36.4 m-70 -68.69 -28.68 67.07 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.849 -0.614 . . . . 10.0 109.906 178.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 40.0 mt -77.04 -43.93 32.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.96 -0.564 . . . . 10.0 111.285 179.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -61.48 -37.89 85.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.027 0.441 . . . . 10.0 110.428 179.672 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 4.0 p -77.24 -28.04 53.53 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.175 0.512 . . . . 10.0 110.048 178.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 60.3 tp -69.35 -31.37 69.75 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.733 -0.667 . . . . 10.0 109.202 178.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 32.8 m -61.22 -32.18 71.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.031 178.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 362' ' ' GLU . . . . . 0.506 ' HA ' ' HD2' ' A' ' 366' ' ' PRO . 28.0 mm-40 -69.36 -25.74 64.33 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.75 -0.659 . . . . 10.0 109.97 178.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 363' ' ' LYS . . . . . 0.746 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 88.2 mttt -86.69 -40.54 14.98 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.064 -0.516 . . . . 10.0 109.624 178.608 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -70.93 -27.99 64.18 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.684 -0.689 . . . . 10.0 112.607 -178.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 365' ' ' LYS . . . . . 1.051 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 21.7 mttt -110.78 -78.53 0.01 OUTLIER Pre-proline 0 CA--C 1.54 0.572 0 N-CA-C 113.223 0.823 . . . . 10.0 113.223 -179.573 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 366' ' ' PRO . . . . . 1.051 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 52.3 Cg_exo -55.92 -54.14 4.52 Favored 'Trans proline' 0 C--N 1.36 1.16 0 C-N-CA 122.525 2.15 . . . . 10.0 113.512 -178.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 367' ' ' ALA . . . . . 0.746 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -60.63 -52.19 66.2 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.44 0.162 . . . . 10.0 111.231 -179.715 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 2.5 mt -59.3 -36.39 75.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.385 -0.37 . . . . 10.0 111.412 179.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -69.7 -43.42 72.46 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.303 -0.258 . . . . 10.0 110.303 179.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -62.46 -40.92 98.18 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 108.854 -0.795 . . . . 10.0 108.854 178.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 371' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 367' ' ' ALA . 95.9 mt -65.62 -46.58 78.72 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-N 115.42 -0.809 . . . . 10.0 109.92 178.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 372' ' ' ARG . . . . . 0.599 ' O ' ' HG ' ' A' ' 376' ' ' LEU . 43.6 mtt180 -61.65 -49.37 76.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.762 179.478 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -64.81 -25.51 67.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.038 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -85.71 -32.76 17.72 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.869 -0.682 . . . . 10.0 111.433 179.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 60.6 mt -74.81 -28.42 60.7 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 122.034 0.134 . . . . 10.0 111.154 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 376' ' ' LEU . . . . . 0.599 ' HG ' ' O ' ' A' ' 372' ' ' ARG . 90.0 mt -50.85 -59.95 6.48 Favored Pre-proline 0 CA--C 1.535 0.388 0 O-C-N 123.178 0.299 . . . . 10.0 111.727 179.44 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -64.78 -25.71 60.62 Favored 'Trans proline' 0 C--N 1.359 1.116 0 C-N-CA 121.909 1.739 . . . . 10.0 111.433 179.022 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 41.6 t -68.32 -42.16 84.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 N-CA-C 109.229 -0.656 . . . . 10.0 109.229 178.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 94.8 mt -66.85 -34.9 78.81 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.993 -0.548 . . . . 10.0 109.65 178.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 380' ' ' GLU . . . . . 0.468 ' HG3' ' O ' ' A' ' 376' ' ' LEU . 7.6 mt-10 -69.07 -46.47 67.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.593 179.032 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 2.4 p -64.85 -36.06 83.12 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.387 -0.597 . . . . 10.0 109.387 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 382' ' ' PHE . . . . . 0.41 ' O ' ' HD1' ' A' ' 386' ' ' PHE . 0.6 OUTLIER -64.92 -37.19 86.8 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 115.674 -0.694 . . . . 10.0 109.981 178.261 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -58.27 -42.44 86.53 Favored 'General case' 0 C--O 1.231 0.122 0 N-CA-C 109.462 -0.569 . . . . 10.0 109.462 178.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 47.6 t -63.24 -38.43 82.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.746 -0.661 . . . . 10.0 109.854 178.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 5.9 m -70.15 -42.69 72.21 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.844 179.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 386' ' ' PHE . . . . . 0.41 ' HD1' ' O ' ' A' ' 382' ' ' PHE . 20.2 m-85 -66.27 -48.01 71.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.787 -179.583 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 92.6 mt -59.47 -43.38 93.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.344 -0.389 . . . . 10.0 111.328 -179.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 388' ' ' SER . . . . . 0.831 ' HB2' ' HE3' ' D' ' 594' ' ' LYS . 15.0 p -68.84 -41.46 78.47 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 116.578 -0.283 . . . . 10.0 110.768 179.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -61.11 -44.84 96.73 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.45 -0.341 . . . . 10.0 110.85 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 82.2 mt -62.31 -38.35 89.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.127 179.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -65.76 -41.37 92.18 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.723 -0.671 . . . . 10.0 109.855 178.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 392' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' A' ' 388' ' ' SER . 62.8 mm-40 -56.72 -47.0 80.95 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.132 0.491 . . . . 10.0 109.935 178.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -60.63 -47.5 85.95 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.604 -0.725 . . . . 10.0 110.642 179.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 394' ' ' THR . . . . . 0.547 ' O ' ' HB3' ' A' ' 398' ' ' ASN . 3.6 m -68.85 -21.4 64.28 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.805 -0.634 . . . . 10.0 112.285 -178.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -88.52 -38.29 15.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 122.213 -0.304 . . . . 10.0 111.563 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 396' ' ' LYS . . . . . 0.739 ' HE2' ' HA ' ' D' ' 587' ' ' ALA . 13.9 mptt -90.74 -32.3 16.2 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 113.546 0.943 . . . . 10.0 113.546 -178.092 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 85.7 mt -110.1 43.46 1.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.511 0.56 . . . . 10.0 112.511 -178.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 398' ' ' ASN . . . . . 0.547 ' HB3' ' O ' ' A' ' 394' ' ' THR . 49.6 t30 . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 116.575 -0.284 . . . . 10.0 110.698 179.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 399' ' ' LEU . . . . . 0.44 HD13 ' HA ' ' D' ' 399' ' ' LEU . 3.4 mm? . . . . . 0 N--CA 1.455 -0.18 0 CA-C-O 121.256 0.55 . . . . 10.0 110.333 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.07 22.28 16.23 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.587 -0.733 . . . . 10.0 109.831 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 59.7 mt -66.57 -17.28 64.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.655 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 72.9 mt -69.95 -30.7 68.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.824 -0.625 . . . . 10.0 109.54 178.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 403' ' ' ASP . . . . . 0.498 ' O ' ' HB3' ' D' ' 406' ' ' ASP . 58.1 m-20 -81.31 -41.88 21.45 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.693 -0.685 . . . . 10.0 109.562 179.252 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -63.22 -45.62 90.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.527 -0.76 . . . . 10.0 110.043 179.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -67.04 -28.19 68.02 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.149 0.5 . . . . 10.0 110.057 179.037 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 406' ' ' ASP . . . . . 0.498 ' HB3' ' O ' ' D' ' 403' ' ' ASP . 1.6 t70 -61.19 -44.34 97.45 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.788 -0.642 . . . . 10.0 109.356 178.468 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 1.3 m -62.9 -37.09 85.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.723 -0.671 . . . . 10.0 109.667 179.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 52.7 t -65.92 -34.49 70.63 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-N 115.442 -0.799 . . . . 10.0 109.331 178.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 17.7 m -68.41 -42.79 78.47 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.643 -0.708 . . . . 10.0 109.563 178.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 1.6 m -63.12 -44.79 94.66 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.008 -0.542 . . . . 10.0 110.34 179.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 411' ' ' THR . . . . . 0.617 ' O ' ' HG ' ' D' ' 415' ' ' LEU . 0.8 OUTLIER -64.48 -37.42 87.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.766 179.411 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -58.93 -46.79 87.11 Favored 'General case' 0 C--O 1.232 0.159 0 N-CA-C 109.682 -0.488 . . . . 10.0 109.682 178.11 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 8.0 m -65.52 -37.81 87.85 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.812 -0.631 . . . . 10.0 109.578 178.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 414' ' ' LYS . . . . . 0.479 ' HE3' ' HG3' ' A' ' 362' ' ' GLU . 29.6 mmtt -62.41 -37.44 85.84 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-O 121.233 0.539 . . . . 10.0 110.056 178.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 415' ' ' LEU . . . . . 0.617 ' HG ' ' O ' ' D' ' 411' ' ' THR . 92.7 mt -67.54 -37.25 82.45 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 109.232 -0.655 . . . . 10.0 109.232 178.684 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -68.44 -34.45 76.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.104 178.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -66.2 -22.35 66.34 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 115.779 -0.646 . . . . 10.0 109.815 178.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -90.94 -57.02 2.95 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.345 -0.843 . . . . 10.0 108.736 178.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 36.7 mt -43.5 -52.6 6.04 Favored 'General case' 0 C--O 1.222 -0.344 0 O-C-N 123.819 0.699 . . . . 10.0 112.611 -179.385 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -50.63 -78.05 0.11 Allowed Glycine 0 CA--C 1.524 0.607 0 C-N-CA 121.275 -0.488 . . . . 10.0 113.015 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -54.4 -40.18 84.2 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 123.134 2.556 . . . . 10.0 112.895 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 41.3 t -62.68 -49.39 83.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 112.405 0.52 . . . . 10.0 112.405 -179.146 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 26.0 p -61.94 -31.62 71.97 Favored 'General case' 0 C--N 1.333 -0.124 0 C-N-CA 120.581 -0.448 . . . . 10.0 111.237 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -59.43 -56.45 21.9 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.896 0.379 . . . . 10.0 110.217 179.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -74.08 -29.42 61.87 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.2 -0.455 . . . . 10.0 111.537 179.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 426' ' ' PHE . . . . . 0.482 ' O ' ' HG ' ' D' ' 430' ' ' LEU . 60.2 t80 -63.96 -41.13 97.66 Favored 'General case' 0 CA--C 1.52 -0.195 0 N-CA-C 109.371 -0.603 . . . . 10.0 109.371 178.763 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 427' ' ' TRP . . . . . 0.423 ' HA ' HD12 ' D' ' 430' ' ' LEU . 5.8 m95 -68.12 -37.44 81.12 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.843 -0.617 . . . . 10.0 109.614 178.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 428' ' ' ASP . . . . . 0.425 ' O ' ' HG3' ' D' ' 432' ' ' LYS . 27.8 t70 -67.57 -33.56 75.28 Favored 'General case' 0 C--N 1.334 -0.097 0 N-CA-C 108.744 -0.836 . . . . 10.0 108.744 177.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -64.26 -40.38 95.88 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.116 -1.068 . . . . 10.0 108.116 177.211 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 430' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' D' ' 426' ' ' PHE . 94.4 mt -62.73 -36.39 82.84 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.454 -0.794 . . . . 10.0 108.956 178.418 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -65.28 -40.94 94.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.002 -0.545 . . . . 10.0 109.808 178.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 432' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' D' ' 428' ' ' ASP . 57.2 mttp -63.31 -45.58 90.69 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.833 -0.803 . . . . 10.0 108.833 178.541 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 433' ' ' GLU . . . . . 0.493 ' O ' ' HG ' ' D' ' 437' ' ' LEU . 74.2 mt-10 -63.91 -51.2 65.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.547 -0.752 . . . . 10.0 111.716 179.447 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 434' ' ' THR . . . . . 0.41 ' HB ' ' CZ ' ' D' ' 438' ' ' ARG . 2.8 p -57.17 -47.69 80.59 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.659 0.244 . . . . 10.0 111.659 -179.437 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -64.83 -43.44 93.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.714 0.292 . . . . 10.0 110.9 179.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -62.72 -50.6 62.61 Favored Glycine 0 N--CA 1.45 -0.389 0 N-CA-C 111.031 -0.828 . . . . 10.0 111.031 179.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 437' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' D' ' 433' ' ' GLU . 89.6 mt -61.43 -30.42 70.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.788 0.328 . . . . 10.0 110.427 179.262 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 438' ' ' ARG . . . . . 0.41 ' CZ ' ' HB ' ' D' ' 434' ' ' THR . 24.9 mtt180 -67.2 -40.29 86.45 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-N 116.339 -0.391 . . . . 10.0 110.278 178.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -63.03 -39.23 94.14 Favored 'General case' 0 CA--C 1.522 -0.13 0 N-CA-C 109.31 -0.626 . . . . 10.0 109.31 178.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 440' ' ' GLU . . . . . 0.566 ' O ' ' HB2' ' D' ' 444' ' ' ASP . 50.3 mt-10 -71.43 -42.03 68.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.349 -0.841 . . . . 10.0 110.568 179.039 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 34.6 mmm -72.05 -38.88 69.41 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 113.385 0.883 . . . . 10.0 113.385 -179.052 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 9.4 p -63.01 -46.28 88.38 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.924 0.393 . . . . 10.0 109.954 179.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.2 -24.75 63.17 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.925 -0.58 . . . . 10.0 109.915 178.719 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 444' ' ' ASP . . . . . 0.566 ' HB2' ' O ' ' D' ' 440' ' ' GLU . 5.3 t70 -75.94 -58.63 3.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.58 179.74 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 445' ' ' LEU . . . . . 0.49 ' HA ' ' HB ' ' D' ' 448' ' ' VAL . 75.7 mt -63.26 -43.24 98.53 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 112.838 0.681 . . . . 10.0 112.838 -178.501 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -61.25 -40.77 95.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.072 0.463 . . . . 10.0 110.919 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 447' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -77.09 -24.55 51.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.635 -0.711 . . . . 10.0 109.582 178.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 448' ' ' VAL . . . . . 0.49 ' HB ' ' HA ' ' D' ' 445' ' ' LEU . 1.4 t -67.04 -36.0 75.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 N-CA-C 109.238 -0.653 . . . . 10.0 109.238 178.35 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.01 -26.79 69.02 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.429 -0.952 . . . . 10.0 108.429 177.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -100.01 20.6 14.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.204 -0.907 . . . . 10.0 109.804 178.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 451' ' ' LYS . . . . . 0.474 ' HE3' ' CD1' ' A' ' 323' ' ' TYR . 32.5 mmtm -128.03 -49.92 1.33 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.723 -0.671 . . . . 10.0 110.058 179.581 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 452' ' ' VAL . . . . . 0.444 HG23 HG13 ' D' ' 448' ' ' VAL . 61.8 t -64.49 -42.78 96.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.014 -0.539 . . . . 10.0 111.028 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -60.63 -57.63 25.13 Favored Pre-proline 0 CA--C 1.537 0.459 0 N-CA-C 112.567 0.58 . . . . 10.0 112.567 -179.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -63.06 -34.51 69.72 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 121.898 1.732 . . . . 10.0 111.638 179.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -70.03 -36.51 75.11 Favored 'General case' 0 C--O 1.224 -0.25 0 N-CA-C 109.978 -0.379 . . . . 10.0 109.978 178.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 2.0 mt -63.17 -43.18 98.97 Favored 'General case' 0 C--O 1.221 -0.427 0 N-CA-C 109.182 -0.673 . . . . 10.0 109.182 178.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -64.81 -43.81 91.92 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.286 -0.635 . . . . 10.0 109.286 178.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 458' ' ' ASP . . . . . 0.407 ' HB2' ' CE1' ' A' ' 319' ' ' HIS . 16.4 t70 -61.07 -45.55 94.29 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 115.372 -0.831 . . . . 10.0 110.618 179.37 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 459' ' ' PHE . . . . . 0.469 ' HD2' ' HA ' ' D' ' 459' ' ' PHE . 0.0 OUTLIER -69.05 -44.74 72.03 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.564 -0.743 . . . . 10.0 110.311 179.362 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -58.94 -39.27 81.11 Favored 'General case' 0 C--O 1.224 -0.237 0 CA-C-N 116.484 -0.325 . . . . 10.0 110.426 179.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 461' ' ' LYS . . . . . 0.439 ' O ' ' HG3' ' D' ' 465' ' ' GLU . 64.4 mttt -61.99 -44.65 96.28 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 110.028 -0.36 . . . . 10.0 110.028 178.617 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 21.6 mtmm -68.15 -36.99 80.55 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.573 -0.529 . . . . 10.0 109.573 179.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 35.6 m0 -64.06 -40.86 97.2 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 108.727 -0.842 . . . . 10.0 108.727 177.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -61.32 -48.44 81.35 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-N 115.476 -0.784 . . . . 10.0 109.027 178.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 465' ' ' GLU . . . . . 0.663 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 48.1 mt-10 -55.87 -57.03 13.78 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.47 -0.787 . . . . 10.0 109.481 179.042 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.22 -44.8 79.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.278 -0.419 . . . . 10.0 111.474 -179.632 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 61.1 mtm -62.97 -46.61 86.91 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.687 -0.233 . . . . 10.0 111.181 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -64.73 -37.46 87.67 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-O 121.02 0.438 . . . . 10.0 110.175 178.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 469' ' ' LEU . . . . . 0.663 ' HG ' ' O ' ' D' ' 465' ' ' GLU . 87.3 mt -64.48 -39.65 94.21 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 115.685 -0.689 . . . . 10.0 109.176 178.413 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 13.2 m-30 -65.51 -34.09 77.45 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 109.517 -0.549 . . . . 10.0 109.517 178.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 471' ' ' ARG . . . . . 0.967 ' HA ' ' HG3' ' D' ' 475' ' ' GLU . 75.7 mtt180 -69.76 -19.02 63.54 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.495 178.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -108.31 -1.6 19.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.968 -0.56 . . . . 10.0 110.666 179.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 473' ' ' LYS . . . . . 0.722 ' HE3' ' HB3' ' A' ' 301' ' ' LEU . 60.4 mttp -123.46 -70.98 0.74 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.403 -0.362 . . . . 10.0 110.785 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 474' ' ' VAL . . . . . 0.512 ' O ' ' HB2' ' D' ' 478' ' ' ARG . 60.8 t -57.23 -39.67 68.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.508 -0.314 . . . . 10.0 111.753 -179.579 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 475' ' ' GLU . . . . . 0.967 ' HG3' ' HA ' ' D' ' 471' ' ' ARG . 2.0 mm-40 -61.64 -60.23 11.0 Favored Pre-proline 0 CA--C 1.536 0.434 0 N-CA-C 112.798 0.666 . . . . 10.0 112.798 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -65.21 -36.45 36.43 Favored 'Trans proline' 0 C--N 1.355 0.878 0 C-N-CA 121.654 1.57 . . . . 10.0 111.547 178.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 29.6 mt -66.83 -28.45 68.37 Favored 'General case' 0 C--O 1.223 -0.303 0 CA-C-O 120.696 0.284 . . . . 10.0 110.253 178.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 478' ' ' ARG . . . . . 0.512 ' HB2' ' O ' ' D' ' 474' ' ' VAL . 11.5 ttt180 -62.52 -40.21 96.01 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.521 -0.918 . . . . 10.0 108.521 178.504 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 479' ' ' ALA . . . . . 0.441 ' HA ' ' OE1' ' D' ' 482' ' ' GLN . . . -71.66 -37.8 70.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.304 -0.862 . . . . 10.0 109.674 178.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.27 -42.94 92.71 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.371 -0.603 . . . . 10.0 109.371 179.042 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 55.7 mt -70.98 -27.5 63.75 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.592 -0.731 . . . . 10.0 109.76 178.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 482' ' ' GLN . . . . . 0.441 ' OE1' ' HA ' ' D' ' 479' ' ' ALA . 37.4 mt-30 -68.79 -47.09 67.0 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 108.725 -0.843 . . . . 10.0 108.725 177.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.6 -40.8 93.06 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.14 -0.689 . . . . 10.0 109.14 178.433 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -63.44 -38.85 97.01 Favored Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 110.571 -1.012 . . . . 10.0 110.571 178.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -68.05 -45.27 74.34 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 109.557 -0.534 . . . . 10.0 109.557 178.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 60.3 mtt85 -59.95 -42.25 93.65 Favored 'General case' 0 CA--C 1.515 -0.375 0 N-CA-C 109.829 -0.434 . . . . 10.0 109.829 178.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -46.54 88.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.711 -0.677 . . . . 10.0 109.345 178.243 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 16.1 tptm -63.04 -41.03 99.41 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.796 -0.638 . . . . 10.0 109.942 179.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 70.4 mt -64.91 -39.67 93.89 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.025 179.097 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 42.8 t60 -64.77 -45.65 85.47 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.99 -0.744 . . . . 10.0 108.99 178.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 -56.23 -42.2 76.93 Favored 'General case' 0 N--CA 1.457 -0.123 0 N-CA-C 108.45 -0.944 . . . . 10.0 108.45 178.054 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 50.4 mt -67.12 -42.64 84.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.281 -0.872 . . . . 10.0 110.961 179.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -57.55 -44.25 85.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.013 0.435 . . . . 10.0 110.87 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -73.24 7.95 1.94 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.855 -0.611 . . . . 10.0 111.712 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 495' ' ' LYS . . . . . 0.724 ' HE3' HD22 ' A' ' 279' ' ' LEU . 24.7 mttp -125.21 -44.33 1.89 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.144 0.497 . . . . 10.0 109.748 178.624 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 496' ' ' LEU . . . . . 0.559 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 95.4 mt -62.57 -26.49 68.61 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.677 -0.692 . . . . 10.0 111.834 -179.692 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 497' ' ' SER . . . . . 0.455 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 6.5 m -83.46 -62.59 0.28 Allowed Pre-proline 0 C--N 1.321 -0.658 0 C-N-CA 120.751 -0.379 . . . . 10.0 111.953 179.082 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 498' ' ' PRO . . . . . 0.455 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 21.7 Cg_endo -63.07 -48.65 6.07 Favored 'Trans proline' 0 C--N 1.358 1.054 0 C-N-CA 121.783 1.655 . . . . 10.0 112.116 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 499' ' ' LEU . . . . . 0.552 ' HB2' ' O ' ' D' ' 495' ' ' LYS . 42.7 mt -76.19 -27.02 56.73 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.853 0.359 . . . . 10.0 110.234 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 500' ' ' GLY . . . . . 0.559 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -67.19 -50.64 44.04 Favored Glycine 0 N--CA 1.446 -0.653 0 N-CA-C 110.083 -1.207 . . . . 10.0 110.083 178.492 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -66.6 -28.51 68.56 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 109.351 -0.611 . . . . 10.0 109.351 178.388 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 502' ' ' GLU . . . . . 0.418 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 30.6 tt0 -69.04 -45.54 70.19 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 109.235 -0.654 . . . . 10.0 109.235 178.451 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 503' ' ' MET . . . . . 0.51 ' HA ' ' HD2' ' D' ' 506' ' ' ARG . 83.8 mmm -61.05 -38.47 86.28 Favored 'General case' 0 CA--C 1.519 -0.228 0 N-CA-C 109.853 -0.425 . . . . 10.0 109.853 179.07 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 504' ' ' ARG . . . . . 0.408 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 92.5 mtt180 -69.05 -37.27 78.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.77 -0.65 . . . . 10.0 109.844 178.686 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -69.85 -36.19 75.34 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 109.462 -0.57 . . . . 10.0 109.462 178.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 506' ' ' ARG . . . . . 0.544 ' HD3' ' OE1' ' A' ' 268' ' ' GLU . 47.7 mtt180 -64.35 -41.69 96.62 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 107.327 -1.36 . . . . 10.0 107.327 177.019 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -60.5 -38.75 85.35 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.064 -0.971 . . . . 10.0 109.403 178.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 508' ' ' ARG . . . . . 0.408 ' HG3' ' O ' ' D' ' 504' ' ' ARG . 62.3 mtt180 -60.6 -47.61 85.44 Favored 'General case' 0 C--O 1.22 -0.457 0 N-CA-C 109.011 -0.737 . . . . 10.0 109.011 178.283 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 509' ' ' ALA . . . . . 0.64 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -65.78 -32.94 74.76 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.085 179.645 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 510' ' ' HIS . . . . . 0.421 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 4.1 m-70 -69.19 -55.53 10.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.939 -0.573 . . . . 10.0 109.601 178.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 511' ' ' VAL . . . . . 0.494 ' O ' ' HG3' ' D' ' 515' ' ' ARG . 58.3 t -64.31 -39.47 85.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.745 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -56.93 -43.99 82.02 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 109.477 -0.564 . . . . 10.0 109.477 178.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -61.64 -48.71 79.64 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.384 -0.826 . . . . 10.0 108.948 178.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 514' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' D' ' 510' ' ' HIS . 91.8 mt -58.43 -33.57 69.84 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.578 -0.737 . . . . 10.0 111.206 179.49 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 515' ' ' ARG . . . . . 0.494 ' HG3' ' O ' ' D' ' 511' ' ' VAL . 28.3 mtt180 -63.81 -28.37 69.81 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.82 0.343 . . . . 10.0 110.157 178.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.25 6.94 22.94 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.834 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 517' ' ' HIS . . . . . 0.402 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 32.6 m170 -117.72 -56.66 2.18 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.271 -0.422 . . . . 10.0 111.001 -179.585 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 79.8 mt -73.93 -51.68 15.3 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.121 -0.491 . . . . 10.0 111.624 -179.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 519' ' ' ALA . . . . . 0.68 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -50.46 -57.37 13.31 Favored Pre-proline 0 N--CA 1.466 0.344 0 N-CA-C 112.958 0.725 . . . . 10.0 112.958 -179.21 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 520' ' ' PRO . . . . . 0.68 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 43.0 Cg_exo -60.82 -41.21 47.61 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 121.988 1.792 . . . . 10.0 111.312 179.037 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -64.6 -42.76 95.35 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.297 -0.41 . . . . 10.0 111.492 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 522' ' ' SER . . . . . 0.413 ' HA ' HD12 ' D' ' 525' ' ' LEU . 7.3 p -63.98 -28.82 70.07 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.829 0.347 . . . . 10.0 110.82 179.327 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -70.21 -41.9 73.03 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 108.821 -0.807 . . . . 10.0 108.821 178.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -71.1 -31.43 67.78 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.243 -0.89 . . . . 10.0 109.132 178.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 525' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' D' ' 522' ' ' SER . 23.1 mt -63.08 -36.0 82.12 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 108.844 -0.799 . . . . 10.0 108.844 177.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 526' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' D' ' 526' ' ' ARG . 61.4 mtt85 -63.82 -37.82 88.81 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.537 -0.542 . . . . 10.0 109.537 178.672 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -65.19 -41.62 94.38 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.305 -0.628 . . . . 10.0 109.305 178.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 528' ' ' ARG . . . . . 0.574 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 92.5 mtt180 -67.49 -45.56 75.51 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.394 -0.821 . . . . 10.0 109.588 179.144 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 74.0 mt -63.26 -34.86 78.6 Favored 'General case' 0 C--O 1.219 -0.502 0 CA-C-N 115.713 -0.676 . . . . 10.0 110.147 179.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -64.19 -42.76 96.53 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 116.393 -0.367 . . . . 10.0 110.209 178.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -68.66 -38.35 80.35 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.407 -0.59 . . . . 10.0 109.407 178.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 532' ' ' ARG . . . . . 0.41 ' O ' ' HG ' ' D' ' 536' ' ' LEU . 7.4 ttm180 -65.93 -44.79 84.07 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.601 -0.727 . . . . 10.0 109.425 178.739 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 36.4 mt -66.04 -33.57 76.11 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 115.648 -0.705 . . . . 10.0 109.548 178.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -60.82 -44.72 96.54 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 108.505 -0.924 . . . . 10.0 108.505 178.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -70.42 -34.6 72.69 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.526 -0.761 . . . . 10.0 109.414 178.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 536' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' D' ' 532' ' ' ARG . 73.5 mt -68.44 -30.12 68.93 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.246 -0.433 . . . . 10.0 111.321 179.52 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -82.42 -35.88 27.18 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.194 -0.669 . . . . 10.0 109.194 178.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -68.0 -53.03 29.0 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.018 -0.734 . . . . 10.0 109.018 178.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -67.0 -34.25 77.34 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.462 -0.79 . . . . 10.0 109.279 178.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 540' ' ' GLY . . . . . 0.434 ' O ' ' HG ' ' D' ' 544' ' ' LEU . . . -63.16 -53.63 38.62 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 111.46 -0.656 . . . . 10.0 111.46 179.392 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 541' ' ' GLY . . . . . 0.6 ' HA2' HD12 ' D' ' 544' ' ' LEU . . . -58.81 -40.7 95.42 Favored Glycine 0 N--CA 1.451 -0.309 0 N-CA-C 111.211 -0.755 . . . . 10.0 111.211 178.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -63.85 -49.0 74.5 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 109.365 -0.605 . . . . 10.0 109.365 178.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 543' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' D' ' 543' ' ' ARG . 60.1 mtt85 -63.54 -31.14 72.22 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-N 115.998 -0.546 . . . . 10.0 111.3 179.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 544' ' ' LEU . . . . . 0.6 HD12 ' HA2' ' D' ' 541' ' ' GLY . 65.3 mt -62.82 -44.51 95.96 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.082 -0.711 . . . . 10.0 109.082 178.252 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -66.99 -41.3 87.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.731 -0.668 . . . . 10.0 109.984 178.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 546' ' ' GLU . . . . . 0.485 ' HG2' ' HG2' ' A' ' 227' ' ' GLU . 46.8 mt-10 -64.15 -47.35 80.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.598 178.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -58.86 -47.9 83.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.145 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -64.59 -41.54 96.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.102 -0.499 . . . . 10.0 111.183 179.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -61.09 -54.5 43.86 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.033 0.444 . . . . 10.0 110.067 179.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 550' ' ' LYS . . . . . 0.472 ' HD2' ' O ' ' D' ' 546' ' ' GLU . 0.0 OUTLIER -63.6 -30.61 71.7 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 116.086 -0.506 . . . . 10.0 110.621 179.76 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -68.98 -37.28 78.68 Favored 'General case' 0 CA--C 1.519 -0.243 0 N-CA-C 109.688 -0.486 . . . . 10.0 109.688 178.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 24.6 m -67.37 -45.52 76.03 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.982 -0.748 . . . . 10.0 108.982 178.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 553' ' ' GLU . . . . . 0.469 ' OE1' ' HE2' ' D' ' 550' ' ' LYS . 37.1 mt-10 -62.62 -40.82 98.17 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 109.17 -0.678 . . . . 10.0 109.17 178.413 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 554' ' ' HIS . . . . . 0.436 ' HE1' HD21 ' A' ' 217' ' ' LEU . 18.3 t60 -65.06 -38.75 91.84 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 109.201 -0.666 . . . . 10.0 109.201 178.382 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 36.9 tp -63.39 -40.76 98.1 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 109.779 -0.452 . . . . 10.0 109.779 178.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 14.4 m -65.23 -38.49 90.57 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 109.258 -0.645 . . . . 10.0 109.258 178.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 13.4 m -68.88 -33.45 73.8 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 108.861 -0.792 . . . . 10.0 108.861 178.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 40.0 mt -61.75 -49.83 74.84 Favored 'General case' 0 C--O 1.221 -0.417 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.771 178.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.41 -32.23 72.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.935 0.397 . . . . 10.0 110.2 178.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -64.2 -26.21 68.42 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.722 -0.672 . . . . 10.0 110.37 179.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 7.0 mptt -101.65 -43.2 5.94 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.397 -0.365 . . . . 10.0 111.402 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -55.76 -46.41 77.89 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.083 0.401 . . . . 10.0 112.083 -179.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 24.0 mmtp -53.99 -63.13 2.89 Favored Pre-proline 0 CA--C 1.538 0.501 0 N-CA-C 112.823 0.675 . . . . 10.0 112.823 -179.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -66.35 -35.26 32.09 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 121.743 1.629 . . . . 10.0 112.76 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 565' ' ' ALA . . . . . 0.51 ' O ' ' HB2' ' D' ' 569' ' ' LEU . . . -65.9 -51.31 59.81 Favored 'General case' 0 C--O 1.226 -0.179 0 C-N-CA 121.228 -0.189 . . . . 10.0 110.955 -179.385 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 65.3 mt -63.53 -46.28 86.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.696 -0.229 . . . . 10.0 110.966 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -62.12 -48.07 81.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.754 0.311 . . . . 10.0 111.462 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -66.0 -38.32 88.17 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.938 -0.305 . . . . 10.0 110.721 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 569' ' ' LEU . . . . . 0.51 ' HB2' ' O ' ' D' ' 565' ' ' ALA . 1.5 mt -63.0 -45.15 93.75 Favored 'General case' 0 C--O 1.225 -0.217 0 N-CA-C 109.28 -0.637 . . . . 10.0 109.28 178.533 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 570' ' ' ARG . . . . . 0.47 ' O ' ' HG ' ' D' ' 574' ' ' LEU . 81.3 mtt180 -61.64 -44.8 96.29 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.352 179.078 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -72.23 -13.73 61.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.474 -0.33 . . . . 10.0 111.562 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -95.16 -36.34 5.48 Favored Glycine 0 N--CA 1.449 -0.478 0 N-CA-C 111.187 -0.765 . . . . 10.0 111.187 179.016 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 573' ' ' LEU . . . . . 0.628 ' HA ' HG12 ' D' ' 576' ' ' VAL . 92.9 mt -72.52 -34.91 67.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.86 -0.17 . . . . 10.0 111.035 179.424 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 574' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' D' ' 570' ' ' ARG . 73.7 mt -50.77 -56.97 15.17 Favored Pre-proline 0 CA--C 1.536 0.44 0 N-CA-C 112.747 0.647 . . . . 10.0 112.747 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 575' ' ' PRO . . . . . 0.412 ' HD3' ' HB2' ' D' ' 574' ' ' LEU . 61.2 Cg_endo -74.94 -32.19 5.68 Favored 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 121.722 1.615 . . . . 10.0 112.181 179.635 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 576' ' ' VAL . . . . . 0.628 HG12 ' HA ' ' D' ' 573' ' ' LEU . 0.4 OUTLIER -67.3 -37.54 79.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 C-N-CA 120.998 -0.281 . . . . 10.0 111.472 -179.434 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 57.2 mt -64.14 -38.19 90.16 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 109.866 -0.42 . . . . 10.0 109.866 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 578' ' ' GLU . . . . . 0.421 ' O ' HG23 ' D' ' 582' ' ' VAL . 19.5 mm-40 -67.38 -42.45 83.37 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.152 179.165 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 55.7 m -63.54 -40.95 98.33 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 109.288 -0.634 . . . . 10.0 109.288 178.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -62.77 -40.83 98.53 Favored 'General case' 0 N--CA 1.457 -0.111 0 CA-C-N 115.968 -0.56 . . . . 10.0 109.945 178.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -58.63 -47.44 84.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.054 178.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 582' ' ' VAL . . . . . 0.421 HG23 ' O ' ' D' ' 578' ' ' GLU . 93.8 t -57.45 -48.99 81.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.607 -0.724 . . . . 10.0 110.64 179.636 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 5.7 p -65.82 -36.88 84.75 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.378 -0.373 . . . . 10.0 111.827 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 14.1 m-30 -70.04 -37.33 75.55 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.436 -0.347 . . . . 10.0 111.194 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 585' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' D' ' 585' ' ' LEU . 30.5 mt -61.04 -44.91 96.69 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.793 179.492 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.02 -36.41 77.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.388 0.613 . . . . 10.0 110.144 179.138 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 587' ' ' ALA . . . . . 0.739 ' HA ' ' HE2' ' A' ' 396' ' ' LYS . . . -63.76 -50.24 69.83 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.57 -0.741 . . . . 10.0 110.57 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 90.6 mt -62.06 -44.7 96.13 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.939 -0.573 . . . . 10.0 111.404 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -60.6 -52.27 65.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 10.0 111.009 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 590' ' ' GLU . . . . . 0.621 ' O ' ' HD3' ' D' ' 594' ' ' LYS . 6.2 mt-10 -63.13 -39.54 94.97 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 116.48 -0.327 . . . . 10.0 111.688 -179.547 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 2.4 m-30 -62.91 -40.14 96.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.987 0.422 . . . . 10.0 110.461 179.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 12.4 m -72.06 -25.15 61.67 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.2 -0.454 . . . . 10.0 110.272 179.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -70.86 -40.72 72.13 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.397 0.618 . . . . 10.0 109.531 178.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 594' ' ' LYS . . . . . 0.831 ' HE3' ' HB2' ' A' ' 388' ' ' SER . 11.4 mptt -71.83 -49.99 33.59 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.604 -0.726 . . . . 10.0 109.593 179.317 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 96.7 mt -90.11 61.08 5.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.894 -0.594 . . . . 10.0 109.958 179.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 . . . . . 0 C--N 1.321 -0.635 0 CA-C-N 115.615 -0.721 . . . . 10.0 111.432 -179.355 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 3.8 m . . . . . 0 C--O 1.233 0.233 0 CA-C-O 120.874 0.368 . . . . 10.0 110.929 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 2' ' ' THR . . . . . 0.419 ' HB ' ' CE2' ' B' ' 4' ' ' TYR . 0.2 OUTLIER -81.94 132.32 35.26 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.341 -0.39 . . . . 10.0 110.439 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -98.83 126.8 44.58 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.198 -0.297 . . . . 10.0 110.198 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' TYR . . . . . 0.456 ' CD2' ' HB3' ' B' ' 51' ' ' CYS . 96.6 m-85 -121.72 110.96 16.58 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.849 0.357 . . . . 10.0 110.796 -179.374 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.665 ' HA ' ' HB3' ' B' ' 54' ' ' ASP . 58.8 mttm -83.48 101.13 11.19 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.923 -0.58 . . . . 10.0 110.247 179.526 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.551 ' O ' ' HA ' ' B' ' 55' ' ' ILE . 26.1 mt -110.29 123.95 50.75 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.698 -0.683 . . . . 10.0 110.577 -178.661 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . 0.512 HG11 ' CD2' ' B' ' 71' ' ' TYR . 23.5 t -108.71 132.81 55.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.415 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.511 HG12 ' HD2' ' B' ' 16' ' ' LYS . 21.7 t -96.14 118.59 42.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 109.157 -0.683 . . . . 10.0 109.157 179.758 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 26.4 m -115.74 156.8 16.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.264 -0.425 . . . . 10.0 111.642 -179.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 156.16 164.49 13.39 Favored Glycine 0 N--CA 1.444 -0.826 0 N-CA-C 110.866 -0.893 . . . . 10.0 110.866 -179.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.23 -176.68 1.52 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.13 0.49 . . . . 10.0 111.607 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -76.77 137.07 39.06 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.033 -0.53 . . . . 10.0 111.937 -179.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 68.61 41.23 84.77 Favored Glycine 0 N--CA 1.453 -0.192 0 CA-C-N 115.354 -0.839 . . . . 10.0 114.569 178.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.647 ' HA ' ' HB2' ' B' ' 83' ' ' ALA . 30.9 m -106.92 -15.01 9.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 C-N-CA 120.489 -0.484 . . . . 10.0 111.498 179.472 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . 0.517 ' HA3' HD22 ' B' ' 116' ' ' ASN . . . 113.17 16.73 8.17 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.878 -0.677 . . . . 10.0 112.977 179.32 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . 0.511 ' HD2' HG12 ' B' ' 8' ' ' VAL . 2.5 mmmm -54.66 -58.52 7.18 Favored 'General case' 0 N--CA 1.462 0.132 0 N-CA-C 112.428 0.529 . . . . 10.0 112.428 -179.323 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 2.0 m -67.26 -41.06 86.17 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.061 0.393 . . . . 10.0 112.061 -178.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.0 -51.87 67.87 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.553 -0.294 . . . . 10.0 111.56 -179.338 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.617 HD23 ' HB2' ' B' ' 146' ' ' ALA . 65.7 mt -60.45 -47.42 86.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.36 -0.382 . . . . 10.0 111.834 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 24.3 m -64.46 -44.44 91.05 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.292 -0.413 . . . . 10.0 112.075 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 88.0 mt -67.14 -30.39 49.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.865 0.364 . . . . 10.0 110.586 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' GLN . . . . . 0.584 ' HG3' ' HB1' ' B' ' 146' ' ' ALA . 7.6 mm-40 -63.91 -25.75 68.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.973 0.416 . . . . 10.0 111.611 179.026 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 14.3 tp -92.39 -26.62 17.95 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.059 0.457 . . . . 10.0 110.864 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 49.1 mm -90.08 -59.89 2.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 112.51 0.559 . . . . 10.0 112.51 -179.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -95.32 -15.08 23.39 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.561 0.22 . . . . 10.0 111.51 -178.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . 0.504 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 11.6 m-80 63.2 53.02 2.33 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 114.065 1.135 . . . . 10.0 114.065 178.274 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 19.5 p80 -157.25 156.33 32.3 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.735 -0.469 . . . . 10.0 109.735 178.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -95.76 129.56 42.95 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.389 0.614 . . . . 10.0 111.912 -179.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -99.91 101.58 12.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.767 -0.651 . . . . 10.0 110.598 179.268 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -73.6 -24.92 60.12 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.365 0.603 . . . . 10.0 112.008 -179.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -85.3 117.28 24.13 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.755 -0.657 . . . . 10.0 110.451 179.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -66.35 124.45 22.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.012 0.434 . . . . 10.0 111.371 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -125.25 113.01 26.1 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.963 -0.562 . . . . 10.0 109.76 179.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -60.5 127.49 22.96 Favored 'Trans proline' 0 CA--C 1.518 -0.284 0 C-N-CA 122.93 2.42 . . . . 10.0 112.059 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 4.9 m -107.62 126.07 52.11 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.186 179.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 39.6 mm -88.32 -48.54 14.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 108.548 -0.908 . . . . 10.0 108.548 178.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -172.94 103.53 0.14 Allowed 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.389 -0.823 . . . . 10.0 109.569 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -125.61 141.71 51.88 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.568 0.223 . . . . 10.0 111.01 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -114.84 143.13 45.6 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.69 0.281 . . . . 10.0 110.722 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -136.97 134.57 36.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.819 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -114.34 140.95 48.22 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.821 0.343 . . . . 10.0 110.999 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -154.38 136.16 14.46 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.187 -0.46 . . . . 10.0 110.439 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -107.97 113.59 26.9 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.11 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 3.5 t -125.34 150.14 30.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.374 -0.376 . . . . 10.0 110.579 -179.347 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 2.7 t -88.82 68.92 0.64 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.412 0 CA-C-O 121.594 0.712 . . . . 10.0 109.567 179.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . 0.595 HD13 HG21 ' B' ' 160' ' ' VAL . 64.2 mt -72.41 115.88 13.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.026 -0.988 . . . . 10.0 111.171 -179.163 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 61.79 22.23 12.84 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.715 -0.675 . . . . 10.0 112.349 179.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.92 -6.14 76.44 Favored Glycine 0 C--O 1.226 -0.395 0 C-N-CA 120.804 -0.713 . . . . 10.0 111.665 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -102.84 124.85 49.12 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.614 -0.513 . . . . 10.0 109.614 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 3.1 m -73.95 102.67 4.19 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.098 -0.704 . . . . 10.0 109.098 179.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' CYS . . . . . 0.456 ' HB3' ' CD2' ' B' ' 4' ' ' TYR . 3.3 m -107.26 136.9 46.3 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.217 0.451 . . . . 10.0 112.217 -177.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 53.5 tp -98.82 107.72 20.23 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 107.762 -1.199 . . . . 10.0 107.762 177.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 48.9 mt -83.36 123.1 29.31 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.977 -0.556 . . . . 10.0 112.436 -178.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . 0.665 ' HB3' ' HA ' ' B' ' 5' ' ' LYS . 19.6 t70 -104.86 88.31 2.87 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 107.317 -1.364 . . . . 10.0 107.317 177.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' ILE . . . . . 0.551 ' HA ' ' O ' ' B' ' 6' ' ' LEU . 9.7 mt -88.83 140.06 16.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 115.464 -0.789 . . . . 10.0 111.906 -177.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 32.5 tp -131.74 118.04 19.42 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.99 -0.55 . . . . 10.0 111.056 179.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -99.7 104.43 16.16 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.744 -0.836 . . . . 10.0 108.744 178.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.47 161.66 13.53 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.179 -0.464 . . . . 10.0 112.01 -178.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.37 139.42 58.76 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.076 -0.511 . . . . 10.0 111.71 -179.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -123.29 27.92 5.69 Favored Glycine 0 C--O 1.227 -0.298 0 CA-C-N 115.626 -0.716 . . . . 10.0 111.43 179.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -98.16 37.31 1.45 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.513 -0.343 . . . . 10.0 110.97 -179.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 59.54 -162.33 0.25 Allowed 'General case' 0 C--O 1.234 0.262 0 O-C-N 123.495 0.497 . . . . 10.0 110.984 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 71.98 -49.03 0.69 Allowed 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 113.419 0.896 . . . . 10.0 113.419 178.363 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' TYR . . . . . 0.45 ' HB3' ' HB3' ' B' ' 67' ' ' MET . 58.6 m-85 -76.27 85.47 3.07 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 114.105 1.15 . . . . 10.0 114.105 -178.268 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.97 -41.41 8.41 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.23 -0.896 . . . . 10.0 109.622 178.418 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.24 -39.62 39.71 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.769 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . 0.45 ' HB3' ' HB3' ' B' ' 64' ' ' TYR . 27.8 ttt -64.56 -30.51 71.54 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.648 -0.705 . . . . 10.0 110.332 179.346 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' ARG . . . . . 0.617 ' HA ' ' CE1' ' B' ' 71' ' ' TYR . 12.4 ttp180 -69.5 -36.29 76.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.73 -0.668 . . . . 10.0 110.262 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.9 -20.36 65.78 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.506 -0.77 . . . . 10.0 111.974 -179.708 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -78.77 -63.46 1.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.494 0.553 . . . . 10.0 112.494 -178.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' TYR . . . . . 0.617 ' CE1' ' HA ' ' B' ' 68' ' ' ARG . 37.4 p90 -66.16 -18.27 65.24 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 113.333 0.864 . . . . 10.0 113.333 -178.154 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . 0.669 ' HA ' ' HZ ' ' B' ' 78' ' ' PHE . 22.5 mtt -67.43 -27.9 67.44 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.045 0.45 . . . . 10.0 110.07 178.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -75.34 -42.13 55.01 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.69 -0.686 . . . . 10.0 110.616 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 4.2 m -75.51 -44.1 45.48 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.089 -0.505 . . . . 10.0 112.001 -179.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -59.94 132.18 50.78 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 121.194 -0.526 . . . . 10.0 112.841 -179.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -96.19 -54.71 3.2 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 121.106 0.479 . . . . 10.0 109.73 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -103.02 134.02 11.66 Favored Glycine 0 N--CA 1.447 -0.579 0 N-CA-C 110.869 -0.892 . . . . 10.0 110.869 179.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . 0.669 ' HZ ' ' HA ' ' B' ' 72' ' ' MET . 58.5 m-85 -114.11 123.87 50.7 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.631 0.729 . . . . 10.0 112.481 -179.024 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.493 HD13 HD22 ' B' ' 159' ' ' LEU . 16.2 tp -97.71 107.94 20.55 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.22 -0.9 . . . . 10.0 109.092 179.186 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 16.4 m -87.95 96.54 10.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.312 -0.404 . . . . 10.0 110.319 -179.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 70.0 t -100.89 123.77 54.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.672 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 82' ' ' PHE . . . . . 0.72 ' HB2' ' HB2' ' B' ' 89' ' ' SER . 19.4 p90 -132.61 145.22 50.92 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.61 179.508 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.647 ' HB2' ' HA ' ' B' ' 14' ' ' VAL . . . -82.29 122.17 27.6 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 108.695 -0.854 . . . . 10.0 108.695 178.73 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . 0.598 HD11 ' HA ' ' B' ' 118' ' ' CYS . 46.6 pt -65.94 -9.76 9.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 112.509 0.559 . . . . 10.0 112.509 -178.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 23.4 p-10 -101.33 6.36 42.69 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.063 0.458 . . . . 10.0 110.96 179.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 42.3 t-20 -135.29 111.38 9.57 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.028 0.442 . . . . 10.0 110.356 179.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 4.5 m -65.11 -30.98 71.96 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.775 0.657 . . . . 10.0 112.775 -178.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 47.4 tttp -58.53 -41.59 85.87 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 121.056 -0.258 . . . . 10.0 111.368 -179.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . 0.72 ' HB2' ' HB2' ' B' ' 82' ' ' PHE . 0.1 OUTLIER -59.85 -41.64 91.87 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.585 -0.28 . . . . 10.0 110.956 -179.864 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -64.35 -35.32 80.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.167 0.508 . . . . 10.0 110.801 -179.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -78.66 -35.41 45.35 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 92' ' ' ASP . . . . . 0.836 ' HA ' ' HD2' ' B' ' 95' ' ' HIS . 0.2 OUTLIER -61.45 -32.26 72.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.883 -0.599 . . . . 10.0 111.235 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 93' ' ' ILE . . . . . 0.606 HG12 ' O ' ' B' ' 89' ' ' SER . 46.5 mm -61.92 -35.07 66.04 Favored 'Isoleucine or valine' 0 C--O 1.231 0.125 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.829 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -64.3 -37.81 88.82 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 109.869 -0.419 . . . . 10.0 109.869 179.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 95' ' ' HIS . . . . . 0.836 ' HD2' ' HA ' ' B' ' 92' ' ' ASP . 98.4 m-70 -64.44 -44.86 89.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.039 -0.528 . . . . 10.0 109.726 179.237 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 13.3 m-30 -62.54 -45.21 93.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.333 -0.849 . . . . 10.0 111.458 -179.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -55.74 -47.44 76.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.18 -0.464 . . . . 10.0 111.807 -179.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -70.02 -43.43 71.33 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.098 0.407 . . . . 10.0 112.098 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 99' ' ' GLN . . . . . 0.541 ' HG2' ' SD ' ' B' ' 72' ' ' MET . 62.8 tt0 -60.99 -40.21 92.64 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.627 0.251 . . . . 10.0 110.824 179.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 55.8 mt -56.77 -45.08 82.89 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-O 121.094 0.473 . . . . 10.0 110.038 179.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 101' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' B' ' 105' ' ' ASP . 43.1 mtmt -70.03 -18.13 63.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.01 -0.541 . . . . 10.0 111.364 -179.605 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 8.4 tmm_? -88.01 -29.77 20.47 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.245 179.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 103' ' ' VAL . . . . . 0.433 HG23 ' O ' ' B' ' 99' ' ' GLN . 89.5 t -80.27 -55.65 8.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.266 -0.425 . . . . 10.0 111.662 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -81.91 -17.99 45.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.629 -0.259 . . . . 10.0 111.293 -179.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . 0.407 ' HA ' ' O ' ' B' ' 101' ' ' LYS . 23.4 t0 61.27 44.22 10.0 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.47 0.652 . . . . 10.0 111.801 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 9.7 t -140.15 143.37 36.12 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.927 -0.579 . . . . 10.0 110.305 179.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -86.31 -34.41 20.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.818 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.16 92.3 9.14 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.99 0.424 . . . . 10.0 111.446 -179.045 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 47.3 t -125.81 118.06 24.22 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 115.664 -0.698 . . . . 10.0 109.448 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -59.06 112.06 1.1 Allowed 'Trans proline' 0 N--CA 1.473 0.307 0 C-N-CA 123.034 2.489 . . . . 10.0 112.113 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 111' ' ' MET . . . . . 0.616 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 60.6 mtm -137.6 146.26 43.77 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.176 -0.465 . . . . 10.0 110.477 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 50.2 t -125.72 129.89 72.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.534 -0.543 . . . . 10.0 109.534 179.163 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 31.4 tp -89.86 115.8 27.46 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.174 -0.676 . . . . 10.0 109.174 178.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 77.2 t -114.19 115.21 48.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 121.159 0.504 . . . . 10.0 111.766 -178.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -91.87 112.78 4.24 Favored Glycine 0 N--CA 1.445 -0.744 0 N-CA-C 109.412 -1.475 . . . . 10.0 109.412 178.322 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 116' ' ' ASN . . . . . 0.517 HD22 ' HA3' ' B' ' 15' ' ' GLY . 67.2 t30 -98.22 161.64 13.6 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 117.118 0.459 . . . . 10.0 112.135 -178.158 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 58.4 mttm 69.64 35.35 2.45 Favored 'General case' 0 N--CA 1.462 0.137 0 O-C-N 124.016 0.823 . . . . 10.0 111.942 179.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 118' ' ' CYS . . . . . 0.598 ' HA ' HD11 ' B' ' 84' ' ' ILE . 97.4 m -68.1 -22.09 64.92 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.358 0.503 . . . . 10.0 112.358 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -72.62 -21.2 61.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.747 0.308 . . . . 10.0 110.975 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 23.6 mt -65.79 132.95 94.91 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 10.0 111.317 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -75.88 143.73 26.68 Favored 'Trans proline' 0 N--CA 1.462 -0.344 0 C-N-CA 122.647 2.232 . . . . 10.0 112.28 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 2.3 m 62.54 67.4 0.71 Allowed 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.216 -0.902 . . . . 10.0 111.775 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -72.65 159.22 34.21 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.432 -0.804 . . . . 10.0 111.378 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 1.3 m -95.01 -47.91 6.2 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.233 -0.439 . . . . 10.0 111.149 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 125' ' ' VAL . . . . . 0.406 HG13 ' HG3' ' B' ' 129' ' ' GLN . 77.9 t -89.78 109.94 21.17 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 CA-C-O 121.195 0.522 . . . . 10.0 109.891 178.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 126' ' ' ASP . . . . . 0.477 ' HB3' ' HG2' ' B' ' 128' ' ' LYS . 0.2 OUTLIER -74.6 153.23 39.08 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.72 -0.673 . . . . 10.0 110.046 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 4.1 m -54.73 -34.62 62.72 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.123 -0.49 . . . . 10.0 111.125 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 128' ' ' LYS . . . . . 0.772 ' CB ' ' HA ' ' C' ' 47' ' ' ASP . 9.9 pttm -57.9 -62.13 2.03 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.668 -0.696 . . . . 10.0 112.835 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . 0.436 ' H ' ' HG3' ' B' ' 128' ' ' LYS . 4.9 pt20 -61.75 -31.31 71.48 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.066 0.395 . . . . 10.0 112.066 -178.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.32 -45.83 89.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.425 -0.352 . . . . 10.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -82.58 -20.48 36.43 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 120.878 0.37 . . . . 10.0 110.409 179.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -60.4 -40.64 91.67 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.813 -0.63 . . . . 10.0 110.673 179.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 27.6 tp -71.82 -23.99 61.64 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.926 -0.579 . . . . 10.0 111.011 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 134' ' ' ALA . . . . . 0.54 ' HA ' ' HB2' ' B' ' 137' ' ' TYR . . . -81.32 -7.22 59.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.067 -0.515 . . . . 10.0 112.11 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 42.9 ttm105 -57.9 -57.17 13.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.098 -0.501 . . . . 10.0 111.731 -179.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 5.9 t -89.78 18.51 5.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.277 0.561 . . . . 10.0 110.738 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 137' ' ' TYR . . . . . 0.54 ' HB2' ' HA ' ' B' ' 134' ' ' ALA . 3.6 m-30 -106.85 -54.4 2.48 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.868 -0.605 . . . . 10.0 109.997 179.214 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 101.4 -4.38 54.57 Favored Glycine 0 N--CA 1.452 -0.249 0 N-CA-C 111.422 -0.671 . . . . 10.0 111.422 -178.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 139' ' ' ILE . . . . . 0.403 HG12 ' HB3' ' B' ' 137' ' ' TYR . 36.6 pt -89.06 153.45 49.13 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 115.702 -0.249 . . . . 10.0 110.441 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -91.51 143.67 3.04 Favored 'Trans proline' 0 N--CA 1.456 -0.71 0 C-N-CA 122.535 2.157 . . . . 10.0 112.57 179.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -110.46 129.55 55.75 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.61 -0.723 . . . . 10.0 109.646 178.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 42.3 mt -125.18 130.92 72.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.572 -0.285 . . . . 10.0 111.002 -179.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 143' ' ' GLU . . . . . 0.471 ' HB3' ' SG ' ' B' ' 118' ' ' CYS . 36.2 mt-10 -87.07 121.16 29.15 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.575 -0.898 . . . . 10.0 108.575 178.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 144' ' ' THR . . . . . 0.676 HG22 ' HA3' ' B' ' 151' ' ' GLY . 59.3 p -135.28 -178.52 5.14 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.157 0.503 . . . . 10.0 112.164 -178.268 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 145' ' ' SER . . . . . 0.424 ' HB3' ' OG1' ' B' ' 148' ' ' THR . 0.1 OUTLIER -169.68 124.06 0.79 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.117 -0.947 . . . . 10.0 108.647 178.884 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 146' ' ' ALA . . . . . 0.617 ' HB2' HD23 ' B' ' 19' ' ' LEU . . . -66.38 -30.73 71.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.243 0.544 . . . . 10.0 110.604 -178.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -65.42 -36.64 84.54 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.638 -0.71 . . . . 10.0 112.492 -179.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 148' ' ' THR . . . . . 0.424 ' OG1' ' HB3' ' B' ' 145' ' ' SER . 0.7 OUTLIER -96.3 -16.15 21.51 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 113.321 0.86 . . . . 10.0 113.321 -178.466 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 149' ' ' ARG . . . . . 0.529 ' HD2' HG21 ' B' ' 152' ' ' VAL . 6.1 tpt180 63.78 41.55 6.81 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.677 0.751 . . . . 10.0 110.309 -179.305 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -121.04 122.02 39.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.785 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 151' ' ' GLY . . . . . 0.676 ' HA3' HG22 ' B' ' 144' ' ' THR . . . 93.67 -9.25 73.84 Favored Glycine 0 N--CA 1.45 -0.376 0 CA-C-N 115.796 -0.638 . . . . 10.0 113.139 179.565 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 152' ' ' VAL . . . . . 0.529 HG21 ' HD2' ' B' ' 149' ' ' ARG . 3.9 t -57.24 -63.96 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 CA-C-O 121.019 0.438 . . . . 10.0 111.193 -179.703 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -62.04 -29.23 70.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.976 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -64.44 -54.9 25.4 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.898 -0.592 . . . . 10.0 111.211 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -63.45 -45.56 90.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.922 -0.581 . . . . 10.0 112.043 -179.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -58.39 -44.36 88.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.563 -0.29 . . . . 10.0 111.346 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 157' ' ' TYR . . . . . 0.513 ' HE2' ' HB3' ' C' ' 128' ' ' LYS . 3.1 m-85 -65.27 -41.38 94.26 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.525 179.489 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 60.3 m -62.84 -40.2 96.72 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.832 -0.622 . . . . 10.0 111.342 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 159' ' ' LEU . . . . . 0.493 HD22 HD13 ' B' ' 79' ' ' LEU . 42.6 tp -60.95 -45.37 95.01 Favored 'General case' 0 C--N 1.334 -0.089 0 CA-C-O 120.865 0.364 . . . . 10.0 110.779 179.517 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 160' ' ' VAL . . . . . 0.715 ' HA ' HD12 ' B' ' 163' ' ' ILE . 60.0 t -66.82 -38.17 80.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.945 -0.571 . . . . 10.0 110.434 179.378 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 161' ' ' ARG . . . . . 0.513 ' HB3' ' HG3' ' C' ' 135' ' ' ARG . 46.6 mtm-85 -66.15 -30.97 71.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.094 -0.503 . . . . 10.0 111.079 178.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -65.18 -33.82 76.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.237 0.541 . . . . 10.0 109.926 178.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 163' ' ' ILE . . . . . 0.715 HD12 ' HA ' ' B' ' 160' ' ' VAL . 19.9 mt -70.27 -40.78 78.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.6 -0.727 . . . . 10.0 109.353 179.057 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 40.8 mtt85 -70.42 -35.29 73.32 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.417 -0.586 . . . . 10.0 109.417 178.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 165' ' ' LYS . . . . . 0.512 ' HB2' ' HD3' ' C' ' 135' ' ' ARG . 28.3 ttmt . . . . . 0 CA--C 1.518 -0.286 0 CA-C-N 115.428 -0.805 . . . . 10.0 109.048 178.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.233 0.217 0 CA-C-O 120.74 0.305 . . . . 10.0 110.65 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 2' ' ' THR . . . . . 0.515 ' HB ' ' CE2' ' C' ' 4' ' ' TYR . 0.1 OUTLIER -77.3 122.5 25.18 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.418 -179.68 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -94.43 140.54 29.69 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.39 -0.596 . . . . 10.0 109.39 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 4' ' ' TYR . . . . . 0.515 ' CE2' ' HB ' ' C' ' 2' ' ' THR . 98.3 m-85 -131.44 114.35 14.82 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.653 0.263 . . . . 10.0 110.921 -179.59 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 5' ' ' LYS . . . . . 0.655 ' HA ' ' HB3' ' C' ' 54' ' ' ASP . 29.2 mttm -78.42 115.09 17.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.895 179.586 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . 0.518 HD12 HG12 ' C' ' 55' ' ' ILE . 11.2 mt -116.05 121.04 41.01 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.077 -0.511 . . . . 10.0 111.349 -178.487 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . 0.522 HG23 ' HA3' ' C' ' 75' ' ' GLY . 87.6 t -107.02 119.88 57.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.139 -0.482 . . . . 10.0 109.844 179.553 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.558 HG12 ' HD2' ' C' ' 16' ' ' LYS . 39.9 t -88.82 111.53 22.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 109.677 -0.49 . . . . 10.0 109.677 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 4.3 m -112.29 147.18 16.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.42 -0.355 . . . . 10.0 110.649 -179.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.97 169.63 25.58 Favored Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 111.231 -0.748 . . . . 10.0 111.231 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.01 -175.25 1.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.996 0.427 . . . . 10.0 111.988 -179.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -85.17 142.75 29.24 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.023 -0.535 . . . . 10.0 111.948 -179.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 67.07 24.71 73.29 Favored Glycine 0 CA--C 1.519 0.285 0 CA-C-N 115.319 -0.855 . . . . 10.0 114.334 178.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 34.6 m -95.15 -12.62 8.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 117.346 0.573 . . . . 10.0 111.672 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . 0.448 ' HA3' ' ND2' ' C' ' 116' ' ' ASN . . . 108.71 20.48 8.07 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.742 -0.742 . . . . 10.0 112.661 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . 0.558 ' HD2' HG12 ' C' ' 8' ' ' VAL . 5.8 mtmm -57.54 -48.43 79.33 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.02 0.438 . . . . 10.0 111.324 -179.71 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 3.2 m -79.91 -38.14 33.15 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.691 -0.686 . . . . 10.0 111.104 -179.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.41 -51.34 68.71 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.361 -0.381 . . . . 10.0 111.287 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 19' ' ' LEU . . . . . 0.505 ' HB3' ' HZ ' ' C' ' 156' ' ' PHE . 64.5 mt -61.66 -51.88 66.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.849 0.357 . . . . 10.0 111.66 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 19.3 m -58.57 -39.86 81.51 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.098 -0.501 . . . . 10.0 111.966 -179.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 51.1 mt -66.34 -30.88 51.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.886 0.374 . . . . 10.0 111.034 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 22' ' ' GLN . . . . . 0.714 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 4.7 mm-40 -66.29 -28.38 68.65 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.901 0.381 . . . . 10.0 111.068 179.456 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 53.4 tp -84.03 -38.86 20.35 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.018 0.437 . . . . 10.0 110.868 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 24' ' ' ILE . . . . . 0.424 HG13 ' CD2' ' C' ' 40' ' ' TYR . 40.8 mm -83.68 -69.69 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.092 -0.503 . . . . 10.0 111.846 -179.089 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -75.23 -22.77 57.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.448 . . . . 10.0 111.458 -178.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 26' ' ' ASN . . . . . 0.714 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 8.9 m-80 71.46 31.06 2.37 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 113.717 1.006 . . . . 10.0 113.717 178.46 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 3.8 p80 -146.56 158.37 43.89 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 110.003 -0.369 . . . . 10.0 110.003 178.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -94.91 130.52 41.49 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.718 0.294 . . . . 10.0 110.469 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 1.2 m -98.9 110.6 26.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.885 -0.598 . . . . 10.0 110.036 179.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -79.37 -15.98 57.01 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.356 0.598 . . . . 10.0 110.419 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -80.21 127.16 32.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.813 -0.63 . . . . 10.0 110.065 179.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -78.9 112.28 15.92 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.233 -0.439 . . . . 10.0 111.015 -179.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -117.78 109.08 41.87 Favored Pre-proline 0 C--O 1.239 0.511 0 CA-C-N 116.378 -0.373 . . . . 10.0 110.448 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_exo -72.82 94.17 0.79 Allowed 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 122.521 2.148 . . . . 10.0 111.293 179.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.53 141.89 28.28 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.012 179.307 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . 0.704 ' HA ' ' HB2' ' C' ' 59' ' ' ALA . 37.5 mm -95.41 -45.67 13.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.215 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -159.69 103.2 1.54 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.23 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -117.74 137.92 52.38 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 120.736 -0.386 . . . . 10.0 111.113 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 3.7 m -101.84 136.37 41.79 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.449 -0.342 . . . . 10.0 111.534 -178.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 40' ' ' TYR . . . . . 0.683 ' HB2' ' HB ' ' C' ' 55' ' ' ILE . 98.5 m-85 -131.66 129.25 40.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.494 . . . . 10.0 110.183 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . 0.531 ' HA ' ' O ' ' C' ' 53' ' ' LEU . 0.5 OUTLIER -130.15 127.4 39.67 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 110.175 -0.305 . . . . 10.0 110.175 179.909 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 50.6 tttp -148.15 132.14 17.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.369 -0.378 . . . . 10.0 110.861 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -102.76 110.61 22.6 Favored 'General case' 0 C--N 1.323 -0.543 0 N-CA-C 110.291 -0.263 . . . . 10.0 110.291 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 6.7 m -130.09 174.45 12.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 120.798 0.333 . . . . 10.0 111.33 -179.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 17.4 t -99.47 107.12 20.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.069 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 59.9 mt -113.83 120.48 63.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.097 -0.501 . . . . 10.0 110.171 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 47' ' ' ASP . . . . . 0.772 ' HA ' ' CB ' ' B' ' 128' ' ' LYS . 65.9 m-20 61.92 33.58 17.37 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 123.793 0.683 . . . . 10.0 112.249 179.422 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.17 31.21 57.78 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.95 -0.643 . . . . 10.0 113.036 179.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -148.7 134.69 19.1 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.09 -0.337 . . . . 10.0 110.09 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 5.9 m -71.87 117.12 13.06 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 110.003 -0.369 . . . . 10.0 110.003 179.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 2.2 m -121.48 143.14 49.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.929 0.395 . . . . 10.0 111.677 -178.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 60.1 tp -101.91 111.41 23.67 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.112 -0.699 . . . . 10.0 109.112 178.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . 0.531 ' O ' ' HA ' ' C' ' 41' ' ' ARG . 38.3 mt -80.4 118.76 22.31 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.057 -0.519 . . . . 10.0 112.155 -179.284 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . 0.655 ' HB3' ' HA ' ' C' ' 5' ' ' LYS . 32.7 t70 -107.28 76.74 1.1 Allowed 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 107.476 -1.305 . . . . 10.0 107.476 177.763 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 55' ' ' ILE . . . . . 0.683 ' HB ' ' HB2' ' C' ' 40' ' ' TYR . 2.3 mt -87.99 148.4 4.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.193 -0.912 . . . . 10.0 112.362 -177.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 16.3 tp -138.86 121.88 16.75 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.762 -0.654 . . . . 10.0 110.52 179.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -90.18 114.37 26.32 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.775 -0.824 . . . . 10.0 108.775 179.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 62.1 p -94.96 170.19 9.6 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.077 -0.51 . . . . 10.0 112.137 -177.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 59' ' ' ALA . . . . . 0.704 ' HB2' ' HA ' ' C' ' 36' ' ' ILE . . . -90.75 127.77 36.44 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-O 121.098 0.475 . . . . 10.0 109.925 179.744 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -103.42 27.89 17.97 Favored Glycine 0 C--O 1.225 -0.46 0 C-N-CA 120.786 -0.721 . . . . 10.0 112.655 -179.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 61' ' ' GLN . . . . . 0.423 ' HB3' HE21 ' C' ' 61' ' ' GLN . 17.7 mt-30 -96.58 15.88 20.39 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.549 0.214 . . . . 10.0 111.402 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 60.49 -162.21 0.27 Allowed 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 115.997 -0.547 . . . . 10.0 111.501 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 71.7 -39.64 0.45 Allowed 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 113.156 0.799 . . . . 10.0 113.156 179.087 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 64' ' ' TYR . . . . . 0.639 ' HB3' ' HB3' ' C' ' 67' ' ' MET . 74.8 m-85 -74.4 67.5 1.45 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.012 0.434 . . . . 10.0 112.167 -179.452 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 1.3 m -72.03 -37.1 69.8 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.506 179.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.32 -42.22 23.42 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.1 -0.5 . . . . 10.0 111.075 -179.175 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 67' ' ' MET . . . . . 0.639 ' HB3' ' HB3' ' C' ' 64' ' ' TYR . 19.2 ttt -61.6 -37.03 82.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.702 -0.681 . . . . 10.0 110.866 -179.549 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 68' ' ' ARG . . . . . 0.587 ' HA ' ' CE2' ' C' ' 71' ' ' TYR . 7.1 ttp180 -62.33 -39.8 94.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.165 -0.471 . . . . 10.0 110.921 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -63.93 -40.62 96.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.635 -0.712 . . . . 10.0 111.018 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -54.52 -58.04 9.01 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 113.64 0.978 . . . . 10.0 113.64 -178.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 71' ' ' TYR . . . . . 0.587 ' CE2' ' HA ' ' C' ' 68' ' ' ARG . 2.3 p90 -75.79 -16.78 60.06 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 113.152 0.797 . . . . 10.0 113.152 -178.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 72' ' ' MET . . . . . 0.497 ' HE3' ' HG2' ' C' ' 68' ' ' ARG . 32.2 mtt -68.42 -31.04 70.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.559 0.695 . . . . 10.0 110.417 179.338 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 73' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' C' ' 73' ' ' ARG . 41.1 mtm105 -80.3 -9.73 59.74 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.649 -0.705 . . . . 10.0 111.095 179.516 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -100.26 -52.2 3.45 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.392 -0.367 . . . . 10.0 111.403 -179.757 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 75' ' ' GLY . . . . . 0.522 ' HA3' HG23 ' C' ' 7' ' ' VAL . . . -59.95 140.18 48.11 Favored Glycine 0 N--CA 1.452 -0.29 0 CA-C-N 115.988 -0.551 . . . . 10.0 113.313 -179.022 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . 0.488 ' HG3' ' HB2' ' C' ' 5' ' ' LYS . 36.5 mt-10 -92.82 -43.27 9.09 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.081 0.467 . . . . 10.0 109.967 179.573 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -118.41 135.08 11.32 Favored Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 111.198 -0.761 . . . . 10.0 111.198 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 78' ' ' PHE . . . . . 0.658 ' HB2' ' HG2' ' C' ' 111' ' ' MET . 96.0 m-85 -109.1 124.59 51.03 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.218 0.532 . . . . 10.0 111.903 -178.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 79' ' ' LEU . . . . . 0.458 HD13 HD22 ' C' ' 159' ' ' LEU . 14.2 tp -96.13 104.26 16.2 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.576 -0.738 . . . . 10.0 109.32 179.494 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 80' ' ' CYS . . . . . 0.585 ' HB3' HD12 ' C' ' 93' ' ' ILE . 3.4 m -83.13 97.3 8.73 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.413 -0.358 . . . . 10.0 110.134 -179.619 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 45.4 t -99.78 125.08 53.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.261 -0.427 . . . . 10.0 111.708 -178.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 11.4 p90 -133.17 163.88 28.29 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.004 -0.544 . . . . 10.0 109.566 178.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 83' ' ' ALA . . . . . 0.445 ' HB3' ' HB3' ' C' ' 86' ' ' ASN . . . -103.34 130.76 50.71 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.676 -0.491 . . . . 10.0 109.676 179.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 84' ' ' ILE . . . . . 0.702 HD12 ' HB3' ' C' ' 123' ' ' ARG . 23.6 pt -63.51 -21.57 28.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.844 0.354 . . . . 10.0 111.571 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -96.27 8.13 44.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.642 179.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 86' ' ' ASN . . . . . 0.445 ' HB3' ' HB3' ' C' ' 83' ' ' ALA . 19.2 t-20 -132.57 94.89 3.5 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.137 0.494 . . . . 10.0 110.865 -179.1 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.45 -29.82 69.26 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.733 -0.667 . . . . 10.0 111.367 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -58.89 -48.17 82.36 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.99 179.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 77.8 p -64.23 -27.34 68.99 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-O 120.761 0.315 . . . . 10.0 111.344 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 90' ' ' PHE . . . . . 0.421 ' HB2' HG21 ' C' ' 125' ' ' VAL . 90.6 t80 -67.32 -42.79 83.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.025 -0.534 . . . . 10.0 109.717 179.314 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -70.64 -35.07 72.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.999 -0.546 . . . . 10.0 109.782 179.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.16 -30.23 68.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.48 -0.782 . . . . 10.0 111.355 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 93' ' ' ILE . . . . . 0.585 HD12 ' HB3' ' C' ' 80' ' ' CYS . 43.8 mm -57.3 -49.82 78.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-N 116.495 -0.321 . . . . 10.0 111.125 179.429 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 79.8 t60 -61.69 -42.27 98.71 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.116 0.484 . . . . 10.0 110.098 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 42.3 m170 -64.9 -32.93 74.88 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.715 -0.675 . . . . 10.0 111.207 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 18.5 m-30 -72.49 -49.81 30.43 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.348 179.045 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 97' ' ' ARG . . . . . 0.459 ' CZ ' ' HD3' ' C' ' 101' ' ' LYS . 23.4 ttt-85 -56.83 -41.46 77.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.512 -179.155 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -61.41 -34.35 75.22 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.295 -0.411 . . . . 10.0 111.429 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -78.94 -39.65 34.06 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-O 120.897 0.379 . . . . 10.0 110.001 178.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 92.6 mt -57.13 -46.48 84.57 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.764 179.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 101' ' ' LYS . . . . . 0.459 ' HD3' ' CZ ' ' C' ' 97' ' ' ARG . 35.1 mtmt -66.43 -27.72 68.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.087 -0.506 . . . . 10.0 111.157 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 15.3 ttm180 -79.28 -47.21 16.3 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.965 -0.561 . . . . 10.0 111.12 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 86.2 t -62.77 -41.01 90.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 10.0 111.211 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 7.8 mttp -88.08 -8.73 55.08 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.355 -0.384 . . . . 10.0 111.061 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 11.0 t70 54.56 56.96 6.19 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.699 -0.682 . . . . 10.0 112.01 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 35.3 t -165.28 142.06 5.68 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.715 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -80.03 -24.23 40.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.381 0.61 . . . . 10.0 109.604 179.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -102.43 110.2 22.07 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.735 -0.666 . . . . 10.0 111.505 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 57.7 t -141.61 129.4 11.86 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 115.275 -0.875 . . . . 10.0 108.926 179.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -60.43 114.21 2.02 Favored 'Trans proline' 0 C--O 1.236 0.381 0 C-N-CA 122.576 2.184 . . . . 10.0 112.182 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 111' ' ' MET . . . . . 0.658 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 29.7 mtm -141.78 151.19 42.62 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.844 -179.784 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 112' ' ' VAL . . . . . 0.422 HG21 ' HA ' ' C' ' 159' ' ' LEU . 42.1 t -134.22 129.31 53.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.178 179.366 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 113' ' ' LEU . . . . . 0.605 ' HB3' ' HD1' ' C' ' 141' ' ' PHE . 0.5 OUTLIER -85.36 124.95 32.55 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.416 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 70.1 t -122.89 117.87 53.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.09 0.471 . . . . 10.0 111.422 -179.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -101.03 99.06 1.91 Allowed Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 109.999 -1.24 . . . . 10.0 109.999 178.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 116' ' ' ASN . . . . . 0.448 ' ND2' ' HA3' ' C' ' 15' ' ' GLY . 66.4 t30 -83.16 165.86 19.13 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.846 0.313 . . . . 10.0 111.846 -178.148 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 82.6 mttt 64.09 30.29 13.91 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 123.166 0.587 . . . . 10.0 111.658 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 118' ' ' CYS . . . . . 0.629 ' HA ' HD13 ' C' ' 84' ' ' ILE . 0.7 OUTLIER -69.55 1.67 3.86 Favored 'General case' 0 N--CA 1.463 0.193 0 N-CA-C 112.917 0.71 . . . . 10.0 112.917 -179.338 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -105.19 -0.94 26.0 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.905 0.383 . . . . 10.0 110.629 179.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 40.9 mt -87.77 134.87 34.64 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.222 -0.444 . . . . 10.0 110.505 179.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -68.81 156.24 66.06 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.882 2.388 . . . . 10.0 112.286 -179.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 19.8 m 61.71 72.9 0.49 Allowed 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 113.018 0.747 . . . . 10.0 113.018 179.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 123' ' ' ARG . . . . . 0.702 ' HB3' HD12 ' C' ' 84' ' ' ILE . 7.9 ptp180 -87.63 129.38 35.14 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.644 179.581 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -72.89 -45.44 58.22 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 120.751 0.31 . . . . 10.0 111.193 -179.742 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 125' ' ' VAL . . . . . 0.421 HG21 ' HB2' ' C' ' 90' ' ' PHE . 98.7 t -85.26 118.48 32.24 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.425 0 N-CA-C 109.436 -0.579 . . . . 10.0 109.436 178.614 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -67.65 148.0 51.94 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.908 -0.587 . . . . 10.0 109.654 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.16 -45.93 89.7 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.469 -0.332 . . . . 10.0 110.716 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 128' ' ' LYS . . . . . 0.513 ' HB3' ' HE2' ' B' ' 157' ' ' TYR . 14.2 ptpt -60.18 -48.39 81.92 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 113.095 0.776 . . . . 10.0 113.095 -179.097 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -67.94 -30.18 69.42 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.228 0.455 . . . . 10.0 112.228 -178.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.26 -41.79 66.34 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.709 -0.478 . . . . 10.0 109.709 179.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -67.71 -38.27 83.39 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.723 -0.671 . . . . 10.0 110.791 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -62.8 -37.47 86.86 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.836 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 7.0 tp -62.34 -42.98 99.83 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.749 -0.463 . . . . 10.0 109.749 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -68.47 -34.59 76.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.7 -0.682 . . . . 10.0 109.832 178.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 135' ' ' ARG . . . . . 0.513 ' HG3' ' HB3' ' B' ' 161' ' ' ARG . 6.6 tmm_? -61.28 -42.59 98.9 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.666 -0.697 . . . . 10.0 110.251 179.172 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 65.4 m -62.6 -33.68 75.48 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.123 -0.49 . . . . 10.0 110.828 179.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 21.8 m-30 -75.38 -32.14 60.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.834 -0.621 . . . . 10.0 109.845 179.085 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 94.77 26.31 13.31 Favored Glycine 0 N--CA 1.447 -0.571 0 N-CA-C 111.499 -0.64 . . . . 10.0 111.499 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 139' ' ' ILE . . . . . 0.606 ' HB ' ' HD2' ' C' ' 140' ' ' PRO . 29.2 pt -124.65 167.14 16.68 Favored Pre-proline 0 C--O 1.238 0.476 0 N-CA-C 110.49 -0.189 . . . . 10.0 110.49 -179.273 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 140' ' ' PRO . . . . . 0.606 ' HD2' ' HB ' ' C' ' 139' ' ' ILE . 86.7 Cg_endo -84.12 166.26 12.82 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.706 2.271 . . . . 10.0 112.802 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 141' ' ' PHE . . . . . 0.605 ' HD1' ' HB3' ' C' ' 113' ' ' LEU . 60.6 t80 -148.59 114.94 5.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.536 -0.756 . . . . 10.0 110.295 179.651 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 71.9 mt -117.95 135.84 57.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.018 0.437 . . . . 10.0 110.573 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 143' ' ' GLU . . . . . 0.405 ' HB3' ' SG ' ' C' ' 118' ' ' CYS . 37.3 mt-10 -69.27 140.14 54.42 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.459 -0.571 . . . . 10.0 109.459 179.075 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 144' ' ' THR . . . . . 0.461 HG22 HG22 ' C' ' 152' ' ' VAL . 0.0 OUTLIER -139.52 158.94 43.28 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.846 0.684 . . . . 10.0 112.846 -178.767 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 2.1 t -155.05 128.89 8.68 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.505 -0.77 . . . . 10.0 109.521 179.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -78.43 -14.25 59.47 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.228 0.537 . . . . 10.0 110.364 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -80.2 -48.34 13.26 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.68 -0.691 . . . . 10.0 111.019 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 148' ' ' THR . . . . . 0.404 ' HB ' ' HG3' ' C' ' 150' ' ' GLN . 38.8 p -90.87 -25.45 19.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.35 -0.386 . . . . 10.0 111.297 -179.261 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 9.6 ttt85 67.16 18.08 10.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.657 -0.701 . . . . 10.0 111.69 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 150' ' ' GLN . . . . . 0.404 ' HG3' ' HB ' ' C' ' 148' ' ' THR . 78.0 mt-30 -77.86 123.98 27.42 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.919 -0.582 . . . . 10.0 111.064 -179.661 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 74.5 -0.84 54.07 Favored Glycine 0 CA--C 1.517 0.187 0 CA-C-N 115.894 -0.594 . . . . 10.0 113.476 179.183 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 152' ' ' VAL . . . . . 0.461 HG22 HG22 ' C' ' 144' ' ' THR . 99.5 t -66.89 -45.55 87.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 120.55 0.214 . . . . 10.0 111.323 -179.131 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -57.76 -51.01 71.32 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.893 -0.594 . . . . 10.0 111.489 -179.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -69.69 -35.37 75.03 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.418 0.525 . . . . 10.0 112.418 -179.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -55.91 -42.39 75.96 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.669 0.271 . . . . 10.0 110.879 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 156' ' ' PHE . . . . . 0.505 ' HZ ' ' HB3' ' C' ' 19' ' ' LEU . 12.8 m-85 -67.3 -40.57 86.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.683 179.481 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 16.6 m-30 -68.71 -30.37 69.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.721 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 88.5 m -60.97 -33.2 72.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.994 -0.548 . . . . 10.0 111.479 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 159' ' ' LEU . . . . . 0.458 HD22 HD13 ' C' ' 79' ' ' LEU . 39.0 tp -63.57 -45.46 90.35 Favored 'General case' 0 C--O 1.23 0.078 0 CA-C-O 120.965 0.412 . . . . 10.0 110.072 179.361 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 79.4 t -64.86 -38.76 83.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.662 -0.699 . . . . 10.0 109.442 179.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 -61.67 -40.25 94.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.266 -0.879 . . . . 10.0 110.912 179.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -65.19 -36.6 84.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.427 -0.351 . . . . 10.0 110.99 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 163' ' ' ILE . . . . . 0.425 HG22 ' HE3' ' C' ' 167' ' ' LYS . 72.3 mt -64.57 -39.69 86.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.055 -0.72 . . . . 10.0 109.055 178.675 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 164' ' ' ARG . . . . . 0.467 ' NH1' ' HB2' ' C' ' 47' ' ' ASP . 69.7 mtt180 -65.41 -41.52 93.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.552 -0.749 . . . . 10.0 109.805 178.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 46.7 mtpt -63.59 -37.8 88.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.639 -0.71 . . . . 10.0 110.514 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 -61.82 -45.99 91.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.098 0.475 . . . . 10.0 110.547 179.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 167' ' ' LYS . . . . . 0.425 ' HE3' HG22 ' C' ' 163' ' ' ILE . 94.0 mttt . . . . . 0 C--N 1.326 -0.447 0 CA-C-O 121.217 0.532 . . . . 10.0 110.392 179.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 5.5 tmtm? . . . . . 0 C--O 1.233 0.193 0 CA-C-O 121.014 0.435 . . . . 10.0 111.297 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 74.1 mt -68.36 -19.86 64.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.032 -0.531 . . . . 10.0 111.475 -179.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 6.3 mp -86.83 -43.19 12.66 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.169 0.509 . . . . 10.0 109.94 179.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -61.22 -43.96 98.04 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.508 -0.769 . . . . 10.0 110.473 179.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -74.23 -22.41 59.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.848 -0.614 . . . . 10.0 111.985 -179.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 79.6 t90 -69.58 -38.2 77.25 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.375 -0.602 . . . . 10.0 109.375 179.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -60.62 -30.99 70.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.537 -0.756 . . . . 10.0 110.688 179.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 1.1 m -67.43 -24.0 65.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.214 179.127 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 24.3 t -82.06 -43.85 19.64 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 CA-C-N 116.007 -0.542 . . . . 10.0 109.704 179.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -61.6 -40.28 94.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.966 179.618 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 1.6 p -64.8 -39.83 94.23 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.667 -0.494 . . . . 10.0 109.667 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 213' ' ' THR . . . . . 0.43 ' O ' ' HG ' ' A' ' 217' ' ' LEU . 99.5 m -65.92 -45.38 82.13 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.615 -0.72 . . . . 10.0 109.62 178.532 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -59.31 -38.69 80.88 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.485 179.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 215' ' ' SER . . . . . 0.513 ' O ' ' HG3' ' A' ' 219' ' ' GLU . 57.7 m -61.94 -52.16 65.18 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.349 179.109 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 35.2 mmtt -60.06 -40.04 88.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.201 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 217' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 213' ' ' THR . 94.3 mt -63.49 -50.12 70.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.779 -0.646 . . . . 10.0 110.684 179.211 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 37.8 mtt180 -60.39 -35.61 76.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 10.0 111.484 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 219' ' ' GLU . . . . . 0.513 ' HG3' ' O ' ' A' ' 215' ' ' SER . 57.9 mt-10 -67.17 -46.85 72.74 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.115 178.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -67.35 -34.46 77.37 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.479 179.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 221' ' ' LEU . . . . . 0.424 ' HA ' ' HB ' ' A' ' 224' ' ' VAL . 28.0 mt -58.29 -27.67 64.28 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.832 -0.622 . . . . 10.0 111.973 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -59.0 -71.6 0.74 Allowed Glycine 0 N--CA 1.449 -0.449 0 N-CA-C 110.261 -1.136 . . . . 10.0 110.261 178.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -55.35 -32.34 81.03 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.429 2.086 . . . . 10.0 111.469 178.038 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 224' ' ' VAL . . . . . 0.438 ' O ' ' HB2' ' A' ' 228' ' ' PHE . 14.1 t -61.65 -53.02 53.95 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.207 0 N-CA-C 109.841 -0.429 . . . . 10.0 109.841 178.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 22.7 m -64.47 -36.36 83.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.39 -0.368 . . . . 10.0 110.352 179.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -62.58 -50.59 70.7 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.215 -0.448 . . . . 10.0 111.243 179.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -71.53 -33.4 69.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.964 0.412 . . . . 10.0 110.287 179.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 228' ' ' PHE . . . . . 0.438 ' HB2' ' O ' ' A' ' 224' ' ' VAL . 0.4 OUTLIER -62.76 -47.86 81.71 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.45 -0.574 . . . . 10.0 109.45 178.532 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -64.41 -37.14 86.47 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.879 -0.601 . . . . 10.0 109.839 178.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -60.72 -50.99 71.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.8 -0.636 . . . . 10.0 110.503 179.143 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 231' ' ' ASN . . . . . 0.743 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 86.8 m-20 -66.42 -35.1 79.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.189 -0.46 . . . . 10.0 110.398 179.266 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 32.5 mt -64.34 -38.12 89.92 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.145 -0.687 . . . . 10.0 109.145 178.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 233' ' ' GLU . . . . . 0.56 ' HA ' ' OG1' ' A' ' 236' ' ' THR . 5.8 mm-40 -66.74 -33.66 76.12 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 116.136 -0.484 . . . . 10.0 111.213 179.183 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 234' ' ' LYS . . . . . 0.743 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 59.4 mttt -67.92 -33.73 75.25 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.533 -0.914 . . . . 10.0 108.533 178.312 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 235' ' ' GLU . . . . . 0.454 ' O ' ' HG ' ' A' ' 239' ' ' LEU . 0.6 OUTLIER -74.2 -49.72 22.29 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.113 -0.949 . . . . 10.0 109.85 179.051 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 236' ' ' THR . . . . . 0.56 ' OG1' ' HA ' ' A' ' 233' ' ' GLU . 8.0 p -62.19 -38.44 89.12 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.26 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -62.79 -41.21 99.16 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 108.611 -0.885 . . . . 10.0 108.611 178.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -63.63 -43.83 97.36 Favored Glycine 0 N--CA 1.445 -0.738 0 N-CA-C 109.53 -1.428 . . . . 10.0 109.53 177.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 239' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 235' ' ' GLU . 84.6 mt -64.46 -29.82 70.86 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.891 0.377 . . . . 10.0 110.332 178.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 55.4 mtt180 -73.62 -41.15 63.19 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.576 -0.528 . . . . 10.0 109.576 178.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -68.96 -36.78 78.29 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.539 -0.911 . . . . 10.0 108.539 178.188 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -69.55 -27.36 65.08 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.051 -0.977 . . . . 10.0 110.092 178.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 243' ' ' MET . . . . . 0.73 ' HG3' HD12 ' A' ' 247' ' ' LEU . 56.7 ttm -63.04 -31.59 72.76 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.286 -0.635 . . . . 10.0 109.286 179.168 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 2.0 m -81.42 10.48 5.66 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 115.537 -0.756 . . . . 10.0 110.517 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 37.2 mmtm -130.3 -61.58 0.97 Allowed 'General case' 0 C--O 1.224 -0.273 0 CA-C-N 115.546 -0.752 . . . . 10.0 109.127 178.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 246' ' ' ASP . . . . . 0.614 ' O ' ' HB ' ' A' ' 250' ' ' VAL . 0.4 OUTLIER -55.17 -64.07 0.96 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.7 -0.682 . . . . 10.0 111.124 179.824 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 247' ' ' LEU . . . . . 0.73 HD12 ' HG3' ' A' ' 243' ' ' MET . 69.8 mt -72.67 -36.15 67.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.802 -0.635 . . . . 10.0 112.3 -178.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -63.06 -52.74 61.57 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 120.964 -0.294 . . . . 10.0 111.091 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -70.72 -34.36 71.82 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 121.109 -0.236 . . . . 10.0 110.86 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 250' ' ' VAL . . . . . 0.748 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 0.3 OUTLIER -63.18 -34.63 67.97 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.295 0 C-N-CA 120.871 -0.332 . . . . 10.0 110.771 179.679 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 251' ' ' LYS . . . . . 0.454 ' O ' HG12 ' A' ' 254' ' ' VAL . 93.0 mttt -83.41 -28.06 29.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.559 -0.291 . . . . 10.0 110.908 179.235 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -77.46 -37.99 50.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.022 0.439 . . . . 10.0 110.437 179.204 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -88.03 -17.4 31.24 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.793 -0.64 . . . . 10.0 111.653 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 254' ' ' VAL . . . . . 0.748 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 1.4 p -63.65 -24.28 35.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.898 0.38 . . . . 10.0 109.986 179.042 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 255' ' ' GLN . . . . . 0.516 ' HB2' ' CD ' ' A' ' 256' ' ' PRO . 28.1 mt-30 -62.83 -64.21 3.29 Favored Pre-proline 0 N--CA 1.45 -0.456 0 CA-C-N 115.723 -0.671 . . . . 10.0 110.709 179.517 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 256' ' ' PRO . . . . . 0.516 ' CD ' ' HB2' ' A' ' 255' ' ' GLN . 31.1 Cg_endo -65.55 -28.05 53.48 Favored 'Trans proline' 0 C--N 1.358 1.059 0 C-N-CA 121.894 1.729 . . . . 10.0 111.642 178.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -65.09 -54.29 32.27 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 109.4 -0.593 . . . . 10.0 109.4 179.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 65.0 mt -69.04 -36.57 77.86 Favored 'General case' 0 C--O 1.218 -0.556 0 CA-C-N 115.856 -0.611 . . . . 10.0 110.157 179.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 259' ' ' ASP . . . . . 0.412 ' O ' ' HB2' ' A' ' 263' ' ' LYS . 4.7 t70 -56.03 -43.65 77.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.927 0.394 . . . . 10.0 111.316 179.604 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -68.39 -50.57 52.03 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.119 -0.491 . . . . 10.0 111.048 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -67.02 -40.47 87.27 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.675 0.62 . . . . 10.0 112.675 -179.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -63.95 -41.69 97.53 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.861 -0.422 . . . . 10.0 109.861 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 263' ' ' LYS . . . . . 0.497 ' O ' ' HG3' ' A' ' 267' ' ' GLU . 2.2 ttmp? -64.31 -50.05 69.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.646 -0.706 . . . . 10.0 109.438 178.578 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 264' ' ' LYS . . . . . 0.707 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 60.0 mttt -61.07 -43.63 98.59 Favored 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 115.593 -0.731 . . . . 10.0 110.961 179.51 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 6.8 m95 -59.38 -40.94 88.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.888 0.375 . . . . 10.0 110.204 178.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 266' ' ' GLN . . . . . 0.412 ' O ' ' HG3' ' A' ' 270' ' ' GLU . 51.4 mt-30 -65.5 -44.08 88.14 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 109.406 -0.59 . . . . 10.0 109.406 178.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 267' ' ' GLU . . . . . 0.497 ' HG3' ' O ' ' A' ' 263' ' ' LYS . 38.7 mt-10 -63.59 -40.56 97.24 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.612 -0.514 . . . . 10.0 109.612 178.704 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 268' ' ' GLU . . . . . 0.545 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 20.4 mt-10 -61.5 -44.62 96.74 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.007 -0.542 . . . . 10.0 109.71 178.489 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 87.8 mmm -68.06 -37.9 81.83 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.523 -0.762 . . . . 10.0 110.628 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 270' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 266' ' ' GLN . 78.0 mt-10 -61.19 -45.77 93.22 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 109.567 -0.531 . . . . 10.0 109.567 178.435 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 96.6 mt -66.67 -38.84 87.64 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.617 -0.72 . . . . 10.0 110.029 179.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 272' ' ' TYR . . . . . 0.495 ' HD1' ' HA ' ' A' ' 272' ' ' TYR . 0.2 OUTLIER -66.7 -39.87 88.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.972 0.415 . . . . 10.0 110.905 179.16 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 273' ' ' ARG . . . . . 0.433 ' O ' HG12 ' A' ' 276' ' ' VAL . 46.9 mtt180 -73.3 -24.27 60.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 10.0 110.656 179.156 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -80.19 -44.31 20.03 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.245 -0.65 . . . . 10.0 109.245 178.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 275' ' ' LYS . . . . . 0.748 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 10.0 mptt -65.83 -37.08 85.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.553 -0.748 . . . . 10.0 110.943 179.415 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 276' ' ' VAL . . . . . 0.433 HG12 ' O ' ' A' ' 273' ' ' ARG . 1.2 p -59.48 -24.29 27.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 112.359 0.503 . . . . 10.0 112.359 -179.455 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 277' ' ' GLU . . . . . 0.522 ' HB2' ' CD ' ' A' ' 278' ' ' PRO . 7.1 mm-40 -62.22 -64.95 2.47 Favored Pre-proline 0 CA--C 1.536 0.407 0 C-N-CA 121.078 -0.249 . . . . 10.0 110.915 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 278' ' ' PRO . . . . . 0.522 ' CD ' ' HB2' ' A' ' 277' ' ' GLU . 31.9 Cg_endo -65.91 -33.27 43.18 Favored 'Trans proline' 0 C--N 1.355 0.89 0 C-N-CA 121.572 1.514 . . . . 10.0 111.085 178.563 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 279' ' ' LEU . . . . . 0.748 ' HG ' ' O ' ' A' ' 275' ' ' LYS . 10.7 mt -62.93 -44.43 96.1 Favored 'General case' 0 CA--C 1.523 -0.085 0 CA-C-N 116.556 -0.293 . . . . 10.0 110.896 179.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 -67.3 -37.45 83.38 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 109.544 -0.539 . . . . 10.0 109.544 179.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -61.98 -49.32 76.57 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.436 -0.579 . . . . 10.0 109.436 178.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -62.92 -45.35 92.92 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 116.15 -0.477 . . . . 10.0 110.23 178.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 10.3 mt -61.56 -32.81 72.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.544 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -73.61 -53.25 10.92 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.313 179.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -59.7 -46.51 88.85 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.133 0.492 . . . . 10.0 110.096 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -62.05 -43.48 99.09 Favored Glycine 0 N--CA 1.444 -0.773 0 CA-C-N 115.418 -0.81 . . . . 10.0 111.642 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -64.17 -42.2 96.81 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 110.109 -0.33 . . . . 10.0 110.109 178.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 81.7 mtt180 -57.43 -49.44 76.23 Favored 'General case' 0 C--N 1.333 -0.129 0 N-CA-C 109.853 -0.425 . . . . 10.0 109.853 179.004 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -61.58 -49.25 77.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.651 -0.704 . . . . 10.0 110.676 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 55.6 mttp -64.56 -34.03 77.29 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.181 -0.463 . . . . 10.0 111.241 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 20.7 mt -71.9 -40.19 69.04 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 109.263 -0.644 . . . . 10.0 109.263 178.255 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -36.4 83.83 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.291 -0.633 . . . . 10.0 109.291 178.375 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.41 -38.94 85.59 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.738 -0.838 . . . . 10.0 108.738 178.014 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 294' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 294' ' ' LEU . 7.9 mt -72.59 -45.55 58.58 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-N 115.681 -0.691 . . . . 10.0 110.557 179.097 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -61.07 -35.98 78.41 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.133 0.42 . . . . 10.0 112.133 -179.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -73.22 -1.21 16.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.948 0.404 . . . . 10.0 110.89 179.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . 0.471 ' O ' ' HB2' ' A' ' 301' ' ' LEU . 22.9 mmtp -121.79 -41.94 2.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.974 179.37 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 37.8 mt -61.06 -24.33 66.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.436 -0.347 . . . . 10.0 111.785 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 299' ' ' SER . . . . . 0.494 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 4.2 m -83.48 -63.78 0.25 Allowed Pre-proline 0 CA--C 1.538 0.509 0 N-CA-C 112.078 0.399 . . . . 10.0 112.078 179.679 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 300' ' ' PRO . . . . . 0.494 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 32.4 Cg_endo -64.41 -46.87 6.68 Favored 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 121.732 1.621 . . . . 10.0 112.139 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 301' ' ' LEU . . . . . 0.499 HD13 ' HG2' ' D' ' 473' ' ' LYS . 90.8 mt -71.96 -29.07 63.87 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 110.024 -0.361 . . . . 10.0 110.024 179.469 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -68.08 -47.24 60.63 Favored Glycine 0 N--CA 1.449 -0.458 0 N-CA-C 110.696 -0.962 . . . . 10.0 110.696 179.069 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -63.38 -41.98 98.82 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.98 -0.378 . . . . 10.0 109.98 178.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.02 -37.17 85.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.073 -0.512 . . . . 10.0 109.656 179.081 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 305' ' ' MET . . . . . 0.442 ' HB2' ' O ' ' A' ' 301' ' ' LEU . 11.7 tpt -62.02 -35.75 79.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.878 -0.601 . . . . 10.0 109.521 179.132 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 306' ' ' ARG . . . . . 0.477 ' O ' ' HG3' ' A' ' 310' ' ' ARG . 48.4 mtt180 -78.22 -37.26 45.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.888 -0.597 . . . . 10.0 109.941 178.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 307' ' ' ASP . . . . . 0.552 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 36.2 t70 -63.61 -45.75 88.9 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.599 -0.519 . . . . 10.0 109.599 178.599 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 308' ' ' ARG . . . . . 0.512 ' HG3' HD11 ' D' ' 469' ' ' LEU . 19.0 mmt180 -66.87 -32.58 73.94 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 108.985 -0.746 . . . . 10.0 108.985 178.166 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 309' ' ' ALA . . . . . 0.42 ' O ' HG23 ' A' ' 313' ' ' VAL . . . -64.82 -36.6 84.87 Favored 'General case' 0 CA--C 1.522 -0.126 0 N-CA-C 109.068 -0.715 . . . . 10.0 109.068 177.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 310' ' ' ARG . . . . . 0.552 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 81.5 mtt180 -59.92 -47.81 84.25 Favored 'General case' 0 C--O 1.22 -0.461 0 N-CA-C 108.878 -0.786 . . . . 10.0 108.878 178.444 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -66.92 -34.0 76.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.758 -0.655 . . . . 10.0 110.098 179.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -61.52 -50.75 71.45 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.422 -0.584 . . . . 10.0 109.422 178.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 313' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 309' ' ' ALA . 43.8 t -73.11 -30.21 30.88 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 CA-C-N 115.518 -0.765 . . . . 10.0 110.145 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 314' ' ' ASP . . . . . 0.409 ' HA ' ' NH2' ' A' ' 317' ' ' ARG . 11.9 t70 -61.51 -47.94 83.32 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.824 -0.436 . . . . 10.0 109.824 179.018 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -64.86 -38.57 91.43 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.132 -0.692 . . . . 10.0 109.132 178.318 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 28.7 mt -63.12 -51.87 64.82 Favored 'General case' 0 C--O 1.219 -0.507 0 CA-C-N 115.604 -0.725 . . . . 10.0 110.618 178.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 317' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 317' ' ' ARG . 42.1 mtm105 -59.04 -41.95 89.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.959 0.409 . . . . 10.0 110.971 179.463 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 56.0 m -64.88 -20.43 66.43 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.771 -0.65 . . . . 10.0 110.96 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 319' ' ' HIS . . . . . 0.443 ' CE1' ' HB2' ' D' ' 458' ' ' ASP . 11.7 m80 -100.3 -33.85 10.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.34 -0.391 . . . . 10.0 111.279 179.143 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 72.4 mt -66.71 -39.8 88.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.551 -0.295 . . . . 10.0 111.234 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -54.85 -56.78 23.88 Favored Pre-proline 0 CA--C 1.535 0.373 0 O-C-N 123.239 0.337 . . . . 10.0 111.793 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -66.41 -37.75 22.32 Favored 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 121.514 1.476 . . . . 10.0 111.862 178.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 10.3 m-30 -58.6 -52.5 65.41 Favored 'General case' 0 C--O 1.226 -0.168 0 CA-C-N 116.559 -0.292 . . . . 10.0 111.116 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 324' ' ' SER . . . . . 0.411 ' HA ' ' HB2' ' A' ' 327' ' ' LEU . 11.6 p -65.34 -40.37 93.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.515 -0.311 . . . . 10.0 110.932 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -61.25 -42.0 97.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.063 0.459 . . . . 10.0 110.579 179.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -77.45 -25.39 50.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.969 -0.56 . . . . 10.0 110.177 178.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . 0.63 HD23 ' HD2' ' A' ' 330' ' ' ARG . 9.4 mt -69.69 -34.16 73.55 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 109.569 -0.53 . . . . 10.0 109.569 178.326 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 69.7 mtt180 -61.05 -40.77 94.89 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 108.863 -0.791 . . . . 10.0 108.863 178.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -63.63 -40.43 96.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.456 -0.793 . . . . 10.0 109.11 178.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 330' ' ' ARG . . . . . 0.804 HH22 HG23 ' D' ' 448' ' ' VAL . 44.0 mtt180 -62.01 -51.73 66.82 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 109.04 -0.726 . . . . 10.0 109.04 178.33 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 331' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 327' ' ' LEU . 94.8 mt -56.15 -46.16 79.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.552 -0.749 . . . . 10.0 110.213 179.638 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -59.51 -48.83 80.14 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.375 179.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -60.2 -47.93 83.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.505 . . . . 10.0 110.629 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -60.86 -46.78 89.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.636 -0.711 . . . . 10.0 110.099 179.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 335' ' ' LEU . . . . . 0.589 ' O ' ' HB2' ' A' ' 339' ' ' LYS . 52.1 mt -61.21 -46.03 92.12 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 115.982 -0.554 . . . . 10.0 111.501 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -65.19 -45.59 84.2 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 123.237 0.336 . . . . 10.0 111.097 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -64.78 -51.02 64.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.489 -0.323 . . . . 10.0 110.569 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 90.8 mt -68.62 -15.36 63.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 10.0 112.055 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 339' ' ' LYS . . . . . 0.589 ' HB2' ' O ' ' A' ' 335' ' ' LEU . 70.4 tttt -85.47 -47.91 9.48 Favored 'General case' 0 CA--C 1.519 -0.224 0 N-CA-C 109.224 -0.658 . . . . 10.0 109.224 178.593 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -63.34 -49.74 72.71 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 109.199 -0.667 . . . . 10.0 109.199 178.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 341' ' ' ASN . . . . . 0.517 ' O ' ' HG3' ' A' ' 345' ' ' ARG . 14.6 t-20 -66.51 -37.07 84.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.596 -0.729 . . . . 10.0 109.281 178.144 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -61.68 -41.82 99.66 Favored Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 115.614 -0.721 . . . . 10.0 111.339 178.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -66.42 -39.86 94.27 Favored Glycine 0 N--CA 1.448 -0.512 0 N-CA-C 110.462 -1.055 . . . . 10.0 110.462 178.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -61.79 -43.25 99.23 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.942 -0.762 . . . . 10.0 108.942 178.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 345' ' ' ARG . . . . . 0.517 ' HG3' ' O ' ' A' ' 341' ' ' ASN . 32.5 mtm180 -64.9 -41.44 95.59 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 115.582 -0.736 . . . . 10.0 110.007 178.699 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 57.7 mt -61.3 -46.29 90.92 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.542 -0.299 . . . . 10.0 110.631 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -63.88 -40.66 97.05 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.07 179.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -67.61 -43.62 80.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.082 0.467 . . . . 10.0 110.492 178.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -62.5 -38.31 89.41 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.097 -0.501 . . . . 10.0 110.545 179.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -66.15 -39.66 89.98 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 120.96 0.409 . . . . 10.0 110.073 179.041 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -63.89 -47.83 79.08 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 109.023 -0.732 . . . . 10.0 109.023 178.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 15.7 mttm -61.77 -38.3 87.52 Favored 'General case' 0 N--CA 1.461 0.088 0 CA-C-N 115.582 -0.735 . . . . 10.0 110.012 178.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -62.64 -45.73 91.51 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.886 -0.413 . . . . 10.0 109.886 179.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 27.1 m -61.31 -39.29 89.92 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 109.411 -0.589 . . . . 10.0 109.411 178.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -66.19 -48.22 71.4 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 109.752 -0.462 . . . . 10.0 109.752 178.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -59.55 -37.12 77.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.827 178.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 55.8 mt -68.12 -36.15 79.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.967 0.413 . . . . 10.0 110.047 178.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 50.9 m -64.89 -44.64 88.94 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.01 179.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 359' ' ' THR . . . . . 0.651 HG22 ' HD2' ' D' ' 414' ' ' LYS . 0.0 OUTLIER -72.43 -26.75 61.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.174 0.511 . . . . 10.0 109.921 178.592 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 51.5 tp -69.7 -31.76 69.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.65 -0.704 . . . . 10.0 109.112 178.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 24.0 m -62.97 -32.77 74.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.648 -0.706 . . . . 10.0 109.42 178.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -68.55 -20.06 64.53 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.59 -0.732 . . . . 10.0 110.095 179.014 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 363' ' ' LYS . . . . . 0.778 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 85.7 mttt -93.74 -47.28 6.85 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.862 -0.608 . . . . 10.0 109.464 178.736 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -62.78 -32.04 73.13 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 113.267 0.84 . . . . 10.0 113.267 -178.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 365' ' ' LYS . . . . . 0.878 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 61.0 mttt -107.92 -73.32 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.437 0 N-CA-C 113.886 1.069 . . . . 10.0 113.886 -179.535 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 366' ' ' PRO . . . . . 0.878 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 35.0 Cg_exo -58.87 -54.8 2.43 Favored 'Trans proline' 0 C--N 1.355 0.885 0 C-N-CA 122.155 1.904 . . . . 10.0 113.571 -179.537 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 367' ' ' ALA . . . . . 0.778 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -61.91 -44.03 97.62 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 111.606 0.224 . . . . 10.0 111.606 -179.206 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 368' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 368' ' ' LEU . 1.0 OUTLIER -66.68 -35.0 79.11 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 110.334 -0.247 . . . . 10.0 110.334 179.389 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -62.05 -49.15 77.13 Favored 'General case' 0 CA--C 1.512 -0.509 0 N-CA-C 108.382 -0.97 . . . . 10.0 108.382 178.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -60.17 -38.73 84.1 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.886 -1.052 . . . . 10.0 110.301 179.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 18.4 mt -64.66 -47.56 78.01 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.016 178.402 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 372' ' ' ARG . . . . . 0.621 ' O ' ' HG ' ' A' ' 376' ' ' LEU . 87.4 mtt180 -62.15 -47.04 86.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.165 179.345 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -58.44 -33.75 70.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.613 -0.721 . . . . 10.0 111.445 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -85.36 -33.24 17.57 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.738 -0.744 . . . . 10.0 111.977 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 27.2 mt -69.27 -32.3 71.39 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.848 0.314 . . . . 10.0 111.848 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 376' ' ' LEU . . . . . 0.621 ' HG ' ' O ' ' A' ' 372' ' ' ARG . 95.2 mt -52.48 -62.21 3.57 Favored Pre-proline 0 CA--C 1.534 0.36 0 N-CA-C 112.457 0.54 . . . . 10.0 112.457 -179.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -63.86 -30.67 68.08 Favored 'Trans proline' 0 C--N 1.355 0.913 0 C-N-CA 121.728 1.619 . . . . 10.0 111.212 179.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 10.5 t -63.31 -45.85 97.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 N-CA-C 109.558 -0.534 . . . . 10.0 109.558 179.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 379' ' ' LEU . . . . . 0.468 ' O ' ' HG3' ' A' ' 383' ' ' LYS . 96.6 mt -64.25 -34.69 78.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.093 -0.503 . . . . 10.0 109.812 179.013 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 380' ' ' GLU . . . . . 0.587 ' HG3' ' O ' ' A' ' 376' ' ' LEU . 35.2 mt-10 -63.63 -46.25 86.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.314 179.299 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 1.5 p -68.57 -31.06 69.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.971 0.415 . . . . 10.0 110.176 178.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -64.25 -44.21 92.51 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 108.851 -0.796 . . . . 10.0 108.851 178.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 383' ' ' LYS . . . . . 0.468 ' HG3' ' O ' ' A' ' 379' ' ' LEU . 91.1 mttt -55.88 -50.7 69.92 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 115.62 -0.718 . . . . 10.0 109.185 178.275 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 89.9 t -56.86 -44.64 82.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.616 -0.72 . . . . 10.0 110.572 179.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 16.3 m -66.67 -36.56 82.82 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.296 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -71.63 -47.33 55.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.511 -0.313 . . . . 10.0 111.013 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 387' ' ' LEU . . . . . 0.466 ' O ' ' HG3' ' A' ' 391' ' ' GLU . 80.1 mt -60.33 -45.42 93.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.117 -0.492 . . . . 10.0 111.705 -179.377 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 388' ' ' SER . . . . . 0.675 ' HB2' ' HE2' ' D' ' 594' ' ' LYS . 9.7 p -65.8 -37.49 86.42 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.785 0.326 . . . . 10.0 110.781 179.676 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -64.39 -42.22 96.23 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.289 0.566 . . . . 10.0 109.496 179.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 90.6 mt -60.86 -40.08 91.57 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.484 -0.78 . . . . 10.0 109.444 178.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 391' ' ' GLU . . . . . 0.466 ' HG3' ' O ' ' A' ' 387' ' ' LEU . 50.6 mt-10 -61.45 -44.82 96.44 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.951 -0.568 . . . . 10.0 109.968 178.416 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -57.78 -45.87 85.39 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.257 -0.428 . . . . 10.0 110.786 179.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 393' ' ' TYR . . . . . 0.432 ' O ' ' HB2' ' A' ' 397' ' ' LEU . 20.8 m-85 -63.56 -36.65 84.48 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.165 0.507 . . . . 10.0 110.757 179.362 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 8.6 m -75.4 -23.29 57.04 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.092 0.473 . . . . 10.0 111.522 -179.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -91.19 -39.36 12.16 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 112.489 0.552 . . . . 10.0 112.489 -179.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 396' ' ' LYS . . . . . 0.809 ' HG2' ' HB2' ' D' ' 587' ' ' ALA . 13.8 mptt -91.69 -26.4 18.65 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 113.595 0.961 . . . . 10.0 113.595 -177.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 397' ' ' LEU . . . . . 0.432 ' HB2' ' O ' ' A' ' 393' ' ' TYR . 29.2 mt -108.76 11.05 26.59 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.874 -0.331 . . . . 10.0 111.664 -179.654 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 18.5 t30 . . . . . 0 C--N 1.321 -0.652 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.096 -179.924 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 CA--C 1.52 -0.181 0 CA-C-O 121.362 0.601 . . . . 10.0 110.453 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.63 30.8 1.46 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.417 -0.811 . . . . 10.0 110.841 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 85.0 mt -62.63 -47.87 81.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.975 -0.557 . . . . 10.0 109.664 179.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 33.8 mt -64.97 -35.17 80.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.883 -0.599 . . . . 10.0 110.388 178.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -64.33 -43.43 94.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.434 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -73.32 -40.12 64.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.06 179.098 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -36.44 78.39 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.424 179.577 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -59.39 -48.04 83.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.238 179.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.89 -42.39 99.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.594 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 98.8 t -62.78 -44.1 99.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.811 -0.632 . . . . 10.0 110.416 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 24.3 m -65.95 -36.39 83.21 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.433 179.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 36.1 m -64.05 -33.13 75.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.049 -0.523 . . . . 10.0 110.945 179.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -69.33 -31.81 70.5 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.839 -0.43 . . . . 10.0 109.839 178.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -67.79 -34.13 76.16 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 109.593 -0.521 . . . . 10.0 109.593 178.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 413' ' ' SER . . . . . 0.433 ' O ' ' HG3' ' D' ' 417' ' ' GLU . 9.7 m -63.48 -45.25 91.64 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 108.3 -1.0 . . . . 10.0 108.3 178.108 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 414' ' ' LYS . . . . . 0.651 ' HD2' HG22 ' A' ' 359' ' ' THR . 23.4 mmtt -65.35 -35.37 80.77 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 115.553 -0.749 . . . . 10.0 110.165 178.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 2.2 mt -64.71 -42.73 95.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.889 -0.596 . . . . 10.0 109.609 178.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 416' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' D' ' 416' ' ' ARG . 54.7 mtt180 -67.21 -38.22 84.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.811 -0.632 . . . . 10.0 109.972 179.031 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 417' ' ' GLU . . . . . 0.433 ' HG3' ' O ' ' D' ' 413' ' ' SER . 35.1 mt-10 -62.14 -37.47 85.3 Favored 'General case' 0 C--O 1.223 -0.31 0 N-CA-C 109.181 -0.674 . . . . 10.0 109.181 178.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -70.08 -53.1 18.94 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 109.213 -0.662 . . . . 10.0 109.213 178.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 74.2 mt -45.56 -44.49 12.84 Favored 'General case' 0 C--O 1.225 -0.209 0 CA-C-N 115.145 -0.934 . . . . 10.0 112.619 -179.115 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 420' ' ' GLY . . . . . 0.486 ' O ' ' HG3' ' D' ' 424' ' ' GLN . . . -48.19 -81.86 0.04 OUTLIER Glycine 0 CA--C 1.522 0.527 0 O-C-N 123.526 0.516 . . . . 10.0 113.822 -179.61 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 421' ' ' PRO . . . . . 0.576 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 39.1 Cg_exo -58.57 -41.48 64.1 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.746 2.297 . . . . 10.0 112.618 -179.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 38.0 t -54.74 -48.94 72.19 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.108 0 N-CA-C 112.309 0.485 . . . . 10.0 112.309 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 50.5 p -69.45 -33.91 73.63 Favored 'General case' 0 CA--C 1.519 -0.227 0 C-N-CA 120.776 -0.37 . . . . 10.0 111.172 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 424' ' ' GLN . . . . . 0.486 ' HG3' ' O ' ' D' ' 420' ' ' GLY . 61.6 mt-30 -63.73 -50.69 68.14 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 110.026 -0.361 . . . . 10.0 110.026 179.257 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 425' ' ' GLU . . . . . 0.576 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 11.1 pt-20 -72.05 -23.27 61.35 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.037 -0.356 . . . . 10.0 110.037 178.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 426' ' ' PHE . . . . . 0.478 ' O ' ' HG ' ' D' ' 430' ' ' LEU . 34.9 t80 -68.94 -43.84 74.24 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 108.222 -1.029 . . . . 10.0 108.222 177.655 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 427' ' ' TRP . . . . . 0.434 ' O ' ' HG3' ' D' ' 431' ' ' GLU . 5.6 m95 -66.67 -37.64 85.19 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.323 -0.991 . . . . 10.0 108.323 178.05 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 428' ' ' ASP . . . . . 0.421 ' O ' ' HG3' ' D' ' 432' ' ' LYS . 30.1 t70 -63.01 -36.74 84.58 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.339 -0.846 . . . . 10.0 108.976 177.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -72.89 -39.71 66.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.533 -0.758 . . . . 10.0 109.145 178.06 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 430' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' D' ' 426' ' ' PHE . 65.3 mt -56.77 -43.49 80.86 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 115.656 -0.702 . . . . 10.0 109.937 179.12 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 431' ' ' GLU . . . . . 0.434 ' HG3' ' O ' ' D' ' 427' ' ' TRP . 47.9 mt-10 -62.32 -39.27 92.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.942 179.366 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 432' ' ' LYS . . . . . 0.421 ' HG3' ' O ' ' D' ' 428' ' ' ASP . 48.7 mttp -63.76 -41.48 97.99 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.173 -0.677 . . . . 10.0 109.173 178.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -68.97 -50.26 50.65 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 114.998 -1.001 . . . . 10.0 111.314 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 2.7 p -59.5 -47.35 85.85 Favored 'General case' 0 CA--C 1.519 -0.244 0 C-N-CA 121.141 -0.224 . . . . 10.0 110.507 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 435' ' ' GLU . . . . . 0.642 ' O ' ' HG3' ' D' ' 439' ' ' GLN . 16.0 mm-40 -62.09 -47.4 84.8 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 121.045 -0.262 . . . . 10.0 110.401 178.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 436' ' ' GLY . . . . . 0.469 ' O ' ' HG3' ' D' ' 440' ' ' GLU . . . -57.3 -50.34 65.45 Favored Glycine 0 C--N 1.333 0.411 0 N-CA-C 111.105 -0.798 . . . . 10.0 111.105 179.065 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 96.3 mt -62.3 -37.86 87.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.582 0.229 . . . . 10.0 110.396 178.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 72.1 mtt180 -63.17 -37.51 87.49 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.373 -0.376 . . . . 10.0 110.672 179.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 439' ' ' GLN . . . . . 0.642 ' HG3' ' O ' ' D' ' 435' ' ' GLU . 89.4 mt-30 -63.59 -38.48 91.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.166 0.508 . . . . 10.0 109.638 178.717 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 440' ' ' GLU . . . . . 0.469 ' HG3' ' O ' ' D' ' 436' ' ' GLY . 35.0 mt-10 -74.71 -44.64 49.02 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.02 -0.536 . . . . 10.0 109.675 178.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 90.9 mmm -60.3 -38.15 82.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.299 -0.864 . . . . 10.0 112.908 -178.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 2.4 p -60.74 -51.31 69.91 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.93 0.395 . . . . 10.0 110.078 179.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 41.6 tttp -68.08 -39.77 82.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.159 179.243 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -59.61 -54.09 50.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 10.0 110.805 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 82.5 mt -63.85 -48.9 74.89 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.318 0.488 . . . . 10.0 112.318 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -61.11 -42.91 99.4 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-O 120.673 0.273 . . . . 10.0 110.749 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 447' ' ' GLU . . . . . 0.554 ' HB3' HH21 ' A' ' 330' ' ' ARG . 21.5 tt0 -68.39 -39.31 81.74 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.542 -0.54 . . . . 10.0 109.542 178.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 448' ' ' VAL . . . . . 0.804 HG23 HH22 ' A' ' 330' ' ' ARG . 2.1 t -60.57 -37.46 75.29 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.288 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.03 178.674 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 449' ' ' LYS . . . . . 0.447 ' O ' ' HG3' ' D' ' 453' ' ' GLN . 63.8 mttt -61.38 -32.65 72.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.181 0.515 . . . . 10.0 110.166 178.418 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -91.32 -4.07 56.2 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.498 179.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 451' ' ' LYS . . . . . 0.428 ' HG2' ' O ' ' D' ' 447' ' ' GLU . 35.3 mmtm -99.68 -39.56 8.21 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.895 0.378 . . . . 10.0 110.241 179.468 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 71.8 t -62.97 -35.75 72.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.151 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 453' ' ' GLN . . . . . 0.555 ' HB2' ' HD3' ' D' ' 454' ' ' PRO . 71.4 mt-30 -57.97 -62.48 5.4 Favored Pre-proline 0 CA--C 1.534 0.344 0 CA-C-N 116.658 -0.246 . . . . 10.0 111.6 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 454' ' ' PRO . . . . . 0.555 ' HD3' ' HB2' ' D' ' 453' ' ' GLN . 35.5 Cg_endo -65.74 -26.65 52.81 Favored 'Trans proline' 0 C--N 1.36 1.175 0 C-N-CA 121.609 1.539 . . . . 10.0 111.709 179.587 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -67.39 -50.38 59.87 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.595 -0.52 . . . . 10.0 109.595 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 456' ' ' LEU . . . . . 0.417 ' O ' ' HB2' ' D' ' 460' ' ' GLN . 32.2 mt -65.66 -35.52 81.02 Favored 'General case' 0 C--O 1.217 -0.608 0 CA-C-N 116.065 -0.516 . . . . 10.0 109.682 178.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -65.5 -51.7 58.11 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.101 -0.499 . . . . 10.0 110.27 179.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 458' ' ' ASP . . . . . 0.443 ' HB2' ' CE1' ' A' ' 319' ' ' HIS . 6.8 t70 -59.38 -43.86 92.83 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.368 -0.833 . . . . 10.0 110.848 179.652 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -72.34 -46.63 54.69 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.804 -0.634 . . . . 10.0 112.163 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 460' ' ' GLN . . . . . 0.417 ' HB2' ' O ' ' D' ' 456' ' ' LEU . 36.9 mt-30 -58.83 -39.43 81.22 Favored 'General case' 0 CA--C 1.515 -0.38 0 O-C-N 122.987 0.179 . . . . 10.0 110.881 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 461' ' ' LYS . . . . . 0.463 ' O ' ' HG3' ' D' ' 465' ' ' GLU . 21.6 mttt -62.95 -41.06 99.4 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.932 -0.395 . . . . 10.0 109.932 178.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 18.6 mtmm -68.21 -38.04 81.5 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.627 -0.509 . . . . 10.0 109.627 178.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 54.8 m0 -65.57 -43.9 88.38 Favored 'General case' 0 CA--C 1.516 -0.335 0 N-CA-C 109.101 -0.703 . . . . 10.0 109.101 178.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -59.19 -48.32 82.06 Favored 'General case' 0 CA--C 1.516 -0.361 0 N-CA-C 109.124 -0.695 . . . . 10.0 109.124 178.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 465' ' ' GLU . . . . . 0.507 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 46.6 mt-10 -54.84 -57.56 11.11 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 115.721 -0.672 . . . . 10.0 110.47 179.607 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -59.93 -38.25 81.82 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.057 -0.52 . . . . 10.0 111.872 -179.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 42.2 ttm -65.71 -47.37 75.58 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.031 0.443 . . . . 10.0 110.926 179.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 76.9 mt-10 -71.24 -27.73 63.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.409 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 469' ' ' LEU . . . . . 0.512 HD11 ' HG3' ' A' ' 308' ' ' ARG . 69.2 mt -74.2 -29.33 61.69 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 108.832 -0.803 . . . . 10.0 108.832 177.553 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 2.0 m-30 -64.49 -30.95 71.98 Favored 'General case' 0 N--CA 1.461 0.091 0 N-CA-C 109.292 -0.633 . . . . 10.0 109.292 178.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 471' ' ' ARG . . . . . 0.401 ' HA ' ' HG3' ' D' ' 475' ' ' GLU . 93.4 mtt180 -75.86 -11.74 60.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.796 -0.638 . . . . 10.0 110.053 179.245 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -117.71 9.52 13.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.189 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 473' ' ' LYS . . . . . 0.499 ' HG2' HD13 ' A' ' 301' ' ' LEU . 78.0 mttt -135.26 -65.53 0.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.647 -0.706 . . . . 10.0 110.766 179.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 87.1 t -62.93 -47.21 93.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.451 -0.341 . . . . 10.0 111.089 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 475' ' ' GLU . . . . . 0.401 ' HG3' ' HA ' ' D' ' 471' ' ' ARG . 9.8 mm-40 -56.44 -58.81 14.6 Favored Pre-proline 0 CA--C 1.537 0.475 0 N-CA-C 112.406 0.521 . . . . 10.0 112.406 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -63.56 -37.81 45.4 Favored 'Trans proline' 0 C--N 1.356 0.927 0 C-N-CA 121.737 1.625 . . . . 10.0 111.771 178.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 477' ' ' LEU . . . . . 0.494 ' HB2' ' O ' ' D' ' 473' ' ' LYS . 7.1 mt -65.01 -35.01 79.8 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 109.706 -0.479 . . . . 10.0 109.706 178.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 478' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' D' ' 478' ' ' ARG . 0.4 OUTLIER -67.39 -39.52 85.62 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.016 -0.735 . . . . 10.0 109.016 178.519 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -63.05 -42.01 99.63 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.128 -0.693 . . . . 10.0 109.128 178.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.91 -37.88 79.22 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 115.389 -0.823 . . . . 10.0 109.824 178.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 15.2 mt -66.95 -36.51 82.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.858 -0.61 . . . . 10.0 109.725 178.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.0 -44.73 83.97 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.991 -0.744 . . . . 10.0 108.991 178.473 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -66.57 -41.02 89.24 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 109.327 -0.62 . . . . 10.0 109.327 178.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -62.47 -40.12 98.69 Favored Glycine 0 N--CA 1.448 -0.527 0 N-CA-C 110.04 -1.224 . . . . 10.0 110.04 177.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -65.44 -39.32 91.93 Favored 'General case' 0 CA--C 1.516 -0.341 0 N-CA-C 109.18 -0.674 . . . . 10.0 109.18 178.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 73.6 mtt180 -62.94 -40.83 98.84 Favored 'General case' 0 CA--C 1.52 -0.176 0 N-CA-C 109.31 -0.626 . . . . 10.0 109.31 178.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -66.5 -48.79 68.7 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-N 115.631 -0.713 . . . . 10.0 109.389 178.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -61.5 -39.9 92.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.546 179.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 30.7 mt -64.18 -39.55 94.23 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.438 -0.578 . . . . 10.0 109.438 178.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 35.5 t60 -64.56 -43.24 94.55 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.239 -1.023 . . . . 10.0 108.239 178.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -58.61 -46.65 86.56 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 115.593 -0.73 . . . . 10.0 109.187 177.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 87.4 mt -63.52 -40.19 96.4 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-N 115.472 -0.785 . . . . 10.0 111.261 179.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -59.95 -35.3 74.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.155 0.503 . . . . 10.0 110.114 178.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -78.07 11.15 2.42 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.67 -0.695 . . . . 10.0 110.667 178.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 495' ' ' LYS . . . . . 0.739 ' HE3' HD22 ' A' ' 279' ' ' LEU . 11.6 mttp -132.11 -45.0 0.93 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.559 179.194 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 496' ' ' LEU . . . . . 0.513 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 97.1 mt -60.95 -32.44 71.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.987 -0.551 . . . . 10.0 111.649 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 497' ' ' SER . . . . . 0.412 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 15.9 m -78.17 -62.64 0.5 Allowed Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 116.385 -0.37 . . . . 10.0 111.926 179.086 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 498' ' ' PRO . . . . . 0.412 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 30.0 Cg_endo -63.23 -59.78 0.21 Allowed 'Trans proline' 0 C--N 1.356 0.96 0 C-N-CA 121.985 1.79 . . . . 10.0 112.451 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 499' ' ' LEU . . . . . 0.438 ' HB2' ' O ' ' D' ' 495' ' ' LYS . 17.4 mt -65.16 -32.42 74.1 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-N 116.771 -0.195 . . . . 10.0 110.948 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 500' ' ' GLY . . . . . 0.513 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -63.5 -48.12 80.99 Favored Glycine 0 N--CA 1.445 -0.755 0 N-CA-C 110.993 -0.843 . . . . 10.0 110.993 178.681 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -67.89 -35.65 78.86 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.13 -0.693 . . . . 10.0 109.13 178.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 502' ' ' GLU . . . . . 0.751 ' HG2' ' HE ' ' D' ' 506' ' ' ARG . 23.5 tt0 -63.54 -47.42 81.68 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 115.522 -0.763 . . . . 10.0 110.096 179.044 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 503' ' ' MET . . . . . 0.522 ' HA ' ' HD2' ' D' ' 506' ' ' ARG . 84.0 mmm -59.49 -38.13 80.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.004 0.431 . . . . 10.0 110.072 179.007 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 504' ' ' ARG . . . . . 0.511 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 81.3 mtt180 -66.54 -40.8 89.28 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.782 -0.644 . . . . 10.0 109.57 178.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -68.28 -37.33 80.58 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.126 -0.488 . . . . 10.0 109.801 178.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 506' ' ' ARG . . . . . 0.751 ' HE ' ' HG2' ' D' ' 502' ' ' GLU . 50.1 mtt180 -63.24 -43.58 97.66 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 107.783 -1.191 . . . . 10.0 107.783 177.569 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -60.17 -40.54 90.3 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.124 -0.944 . . . . 10.0 109.462 178.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 508' ' ' ARG . . . . . 0.511 ' HG3' ' O ' ' D' ' 504' ' ' ARG . 83.5 mtt180 -58.54 -50.33 74.18 Favored 'General case' 0 C--O 1.222 -0.368 0 N-CA-C 108.959 -0.756 . . . . 10.0 108.959 178.374 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 509' ' ' ALA . . . . . 0.707 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -58.54 -36.15 73.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.537 -0.756 . . . . 10.0 111.913 -179.71 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 510' ' ' HIS . . . . . 0.445 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 37.1 m-70 -76.67 -49.49 16.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.656 -0.247 . . . . 10.0 110.788 179.497 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 511' ' ' VAL . . . . . 0.479 ' O ' ' HG3' ' D' ' 515' ' ' ARG . 76.4 t -63.3 -42.75 97.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.511 -0.313 . . . . 10.0 110.676 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 512' ' ' ASP . . . . . 0.699 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 16.7 t70 -60.89 -36.37 79.07 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.157 0.503 . . . . 10.0 109.781 179.354 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -69.66 -44.15 71.13 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.637 -0.875 . . . . 10.0 108.637 178.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 514' ' ' LEU . . . . . 0.481 ' HA ' ' HB2' ' D' ' 517' ' ' HIS . 92.1 mt -60.1 -28.47 67.87 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 116.103 -0.498 . . . . 10.0 110.799 179.045 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 515' ' ' ARG . . . . . 0.699 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 79.7 mtt180 -66.42 -29.07 69.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.945 -0.57 . . . . 10.0 110.237 178.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -103.86 -6.49 21.32 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 115.753 -0.658 . . . . 10.0 110.733 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 517' ' ' HIS . . . . . 0.481 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 25.0 m170 -102.09 -55.68 2.43 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.0 -0.545 . . . . 10.0 111.461 -179.672 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 86.4 mt -78.35 -54.77 5.83 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.497 0.554 . . . . 10.0 112.497 -178.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 519' ' ' ALA . . . . . 0.626 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -48.78 -59.43 6.26 Favored Pre-proline 0 CA--C 1.537 0.462 0 N-CA-C 113.796 1.036 . . . . 10.0 113.796 -178.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 520' ' ' PRO . . . . . 0.626 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 45.1 Cg_exo -60.63 -37.28 80.77 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 121.725 1.617 . . . . 10.0 111.057 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -65.37 -37.24 86.43 Favored 'General case' 0 C--O 1.224 -0.276 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.265 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 522' ' ' SER . . . . . 0.4 ' O ' ' HG3' ' D' ' 526' ' ' ARG . 13.6 m -62.62 -37.59 86.91 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.097 0.475 . . . . 10.0 110.072 179.652 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -66.68 -38.83 87.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.875 -0.602 . . . . 10.0 109.649 179.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -70.83 -36.75 73.04 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.145 -0.687 . . . . 10.0 109.145 178.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 525' ' ' LEU . . . . . 0.481 HD23 ' HD2' ' D' ' 528' ' ' ARG . 66.2 mt -62.32 -34.59 76.92 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 109.232 -0.655 . . . . 10.0 109.232 178.264 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 526' ' ' ARG . . . . . 0.4 ' HG3' ' O ' ' D' ' 522' ' ' SER . 63.7 mtt180 -63.52 -40.63 97.53 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.546 -0.538 . . . . 10.0 109.546 178.395 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -63.16 -38.85 92.78 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.844 -0.617 . . . . 10.0 109.703 178.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 528' ' ' ARG . . . . . 0.589 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 96.8 mtt180 -71.4 -45.3 63.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.638 -0.71 . . . . 10.0 109.586 179.005 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 41.4 mt -62.89 -34.67 77.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.784 -0.644 . . . . 10.0 110.425 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -64.43 -38.18 90.12 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.22 -0.659 . . . . 10.0 109.22 178.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -67.62 -43.6 80.01 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.103 -0.703 . . . . 10.0 109.103 178.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 532' ' ' ARG . . . . . 0.421 ' O ' ' HG ' ' D' ' 536' ' ' LEU . 10.3 ttm180 -64.35 -40.66 96.31 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.711 -0.677 . . . . 10.0 109.633 178.418 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 16.0 mt -64.17 -38.72 92.09 Favored 'General case' 0 C--O 1.223 -0.291 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 178.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 534' ' ' GLU . . . . . 0.702 ' HA ' ' HE3' ' D' ' 537' ' ' LYS . 30.2 tt0 -63.15 -41.04 99.21 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.982 -0.747 . . . . 10.0 108.982 178.256 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -66.48 -41.68 88.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.547 -0.751 . . . . 10.0 109.491 178.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 536' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' D' ' 532' ' ' ARG . 49.2 mt -68.07 -24.28 65.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.718 179.143 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 537' ' ' LYS . . . . . 0.702 ' HE3' ' HA ' ' D' ' 534' ' ' GLU . 39.8 mtmt -81.1 -43.25 19.72 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.098 -0.704 . . . . 10.0 109.098 178.219 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -66.01 -48.58 70.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.774 -0.648 . . . . 10.0 109.563 179.255 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -75.19 -31.34 60.92 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.902 -0.59 . . . . 10.0 109.866 179.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -63.22 -52.58 46.19 Favored Glycine 0 N--CA 1.45 -0.431 0 N-CA-C 111.135 -0.786 . . . . 10.0 111.135 179.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -60.46 -38.71 95.25 Favored Glycine 0 N--CA 1.449 -0.479 0 N-CA-C 110.938 -0.865 . . . . 10.0 110.938 178.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -64.53 -50.26 68.04 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.8 -0.445 . . . . 10.0 109.8 178.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -59.85 -40.47 88.67 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 116.163 -0.471 . . . . 10.0 110.157 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 79.6 mt -64.27 -42.34 96.49 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-O 120.979 0.418 . . . . 10.0 109.881 179.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -62.01 -39.46 92.36 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.476 -0.564 . . . . 10.0 109.476 179.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -70.7 -44.16 67.49 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.565 -0.743 . . . . 10.0 109.854 178.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -59.67 -49.51 77.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.598 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 38.0 m-70 -64.71 -38.94 92.7 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.952 0.406 . . . . 10.0 110.659 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -66.72 -47.46 72.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.137 0.494 . . . . 10.0 109.939 179.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 550' ' ' LYS . . . . . 0.492 ' O ' ' HB2' ' D' ' 554' ' ' HIS . 0.0 OUTLIER -67.7 -23.02 65.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.723 -0.671 . . . . 10.0 110.477 179.501 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -68.13 -42.53 80.04 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.397 -0.594 . . . . 10.0 109.397 178.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 2.6 m -68.16 -41.11 82.01 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.784 -0.644 . . . . 10.0 109.297 178.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -63.23 -41.55 99.11 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 109.008 -0.738 . . . . 10.0 109.008 178.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 554' ' ' HIS . . . . . 0.492 ' HB2' ' O ' ' D' ' 550' ' ' LYS . 2.9 t60 -65.29 -41.25 94.31 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 115.556 -0.747 . . . . 10.0 109.083 178.44 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 30.1 tp -60.34 -47.28 86.71 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.607 -0.724 . . . . 10.0 110.698 179.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 2.9 p -64.72 -40.6 95.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.421 -0.354 . . . . 10.0 111.411 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 1.5 p -70.58 -33.4 71.04 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.845 0.355 . . . . 10.0 110.911 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 38.1 mt -70.36 -51.84 26.9 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.243 178.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 559' ' ' SER . . . . . 0.421 ' HA ' ' HB3' ' D' ' 562' ' ' ALA . 12.5 p -65.33 -33.97 77.23 Favored 'General case' 0 C--N 1.332 -0.155 0 O-C-N 123.265 0.353 . . . . 10.0 110.625 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -52.67 -37.55 58.97 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.144 178.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 36.2 mttp -99.15 -33.91 10.58 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.01 -0.541 . . . . 10.0 111.818 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 562' ' ' ALA . . . . . 0.421 ' HB3' ' HA ' ' D' ' 559' ' ' SER . . . -55.37 -37.66 67.81 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 111.857 0.317 . . . . 10.0 111.857 -179.587 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -65.5 -63.3 3.52 Favored Pre-proline 0 CA--C 1.539 0.521 0 N-CA-C 111.953 0.353 . . . . 10.0 111.953 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_endo -63.14 -35.25 65.55 Favored 'Trans proline' 0 C--N 1.354 0.844 0 C-N-CA 122.133 1.889 . . . . 10.0 112.085 179.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -63.58 -49.05 74.91 Favored 'General case' 0 CA--C 1.52 -0.196 0 C-N-CA 121.239 -0.184 . . . . 10.0 110.753 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 566' ' ' LEU . . . . . 0.467 HD23 ' HA ' ' D' ' 566' ' ' LEU . 11.5 mt -63.16 -39.89 95.97 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.783 -0.367 . . . . 10.0 110.179 179.565 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 567' ' ' GLU . . . . . 0.439 ' O ' ' HG3' ' D' ' 571' ' ' GLN . 6.7 mm-40 -62.4 -56.36 18.99 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.807 -0.633 . . . . 10.0 109.935 178.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -60.19 -45.18 94.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.493 -0.776 . . . . 10.0 111.761 -179.295 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 36.3 mt -58.23 -44.06 88.04 Favored 'General case' 0 C--O 1.223 -0.307 0 CA-C-N 116.506 -0.316 . . . . 10.0 110.638 179.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 570' ' ' ARG . . . . . 0.46 ' O ' ' HG ' ' D' ' 574' ' ' LEU . 62.7 mtt180 -69.14 -39.18 78.99 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.873 0.368 . . . . 10.0 110.09 178.713 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 571' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' D' ' 567' ' ' GLU . 72.2 mt-30 -65.56 -23.71 66.92 Favored 'General case' 0 C--O 1.228 -0.077 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.545 179.012 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -93.35 -36.9 5.76 Favored Glycine 0 N--CA 1.443 -0.856 0 N-CA-C 111.108 -0.797 . . . . 10.0 111.108 178.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 24.6 mt -60.59 -41.41 94.65 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 122.08 0.152 . . . . 10.0 111.34 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 574' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' D' ' 570' ' ' ARG . 94.9 mt -54.22 -62.09 4.46 Favored Pre-proline 0 CA--C 1.538 0.519 0 N-CA-C 113.171 0.804 . . . . 10.0 113.171 -179.562 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_endo -62.97 -37.27 54.7 Favored 'Trans proline' 0 C--N 1.355 0.887 0 C-N-CA 122.19 1.926 . . . . 10.0 112.08 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 34.6 t -64.77 -43.11 96.49 Favored 'Isoleucine or valine' 0 C--O 1.231 0.09 0 CA-C-N 116.433 -0.349 . . . . 10.0 110.463 179.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 577' ' ' LEU . . . . . 0.406 ' O ' ' HG3' ' D' ' 581' ' ' LYS . 29.9 mt -64.05 -37.85 88.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.449 -0.341 . . . . 10.0 110.486 179.076 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -62.24 -45.54 92.87 Favored 'General case' 0 C--N 1.334 -0.095 0 N-CA-C 109.406 -0.59 . . . . 10.0 109.406 178.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 39.8 m -65.37 -38.79 91.09 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.496 -0.557 . . . . 10.0 109.496 178.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -61.82 -40.64 95.98 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.533 -0.543 . . . . 10.0 109.533 178.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 581' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' D' ' 577' ' ' LEU . 92.9 mttt -61.02 -40.48 93.73 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.174 -0.466 . . . . 10.0 109.801 178.444 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 53.1 t -59.91 -50.23 80.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.469 179.222 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.71 -32.05 72.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 10.0 111.019 179.39 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 584' ' ' PHE . . . . . 0.535 ' O ' ' HG ' ' D' ' 588' ' ' LEU . 17.8 t80 -69.14 -51.12 41.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.881 -0.599 . . . . 10.0 110.137 179.637 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 82.1 mt -59.65 -49.97 75.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.506 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 9.1 p -59.85 -36.1 76.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.702 0.287 . . . . 10.0 111.284 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 587' ' ' ALA . . . . . 0.809 ' HB2' ' HG2' ' A' ' 396' ' ' LYS . . . -67.1 -49.45 64.95 Favored 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 109.87 -0.419 . . . . 10.0 109.87 178.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 588' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' D' ' 584' ' ' PHE . 80.3 mt -57.59 -48.33 79.67 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 115.896 -0.593 . . . . 10.0 111.0 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -57.38 -51.01 71.14 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 116.266 -0.425 . . . . 10.0 111.442 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -66.95 -38.39 86.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.672 -0.24 . . . . 10.0 111.577 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -61.73 -38.96 89.87 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-O 120.786 0.327 . . . . 10.0 110.27 178.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 29.6 m -64.46 -31.0 72.04 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.156 0.503 . . . . 10.0 110.571 179.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -81.51 -35.87 29.88 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.647 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 594' ' ' LYS . . . . . 0.675 ' HE2' ' HB2' ' A' ' 388' ' ' SER . 5.1 mptt -74.23 -37.82 63.71 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.135 0.493 . . . . 10.0 110.994 179.294 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 55.4 mt -102.73 54.22 0.78 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.004 -0.544 . . . . 10.0 109.878 179.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.283 -0.417 . . . . 10.0 110.301 179.656 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 C--O 1.234 0.26 0 CA-C-O 120.748 0.308 . . . . 10.0 110.66 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 2' ' ' THR . . . . . 0.436 ' HB ' ' CE2' ' B' ' 4' ' ' TYR . 0.2 OUTLIER -67.01 131.54 46.07 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 116.275 -0.421 . . . . 10.0 110.829 179.653 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -96.21 135.96 37.32 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.846 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' TYR . . . . . 0.436 ' CE2' ' HB ' ' B' ' 2' ' ' THR . 94.7 m-85 -131.27 124.43 30.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.259 -0.428 . . . . 10.0 110.252 179.397 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -88.91 105.61 17.87 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.186 179.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.521 HD11 HD13 ' B' ' 53' ' ' LEU . 17.7 mt -104.97 116.96 32.85 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.829 -178.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . 0.468 HG11 ' HD2' ' B' ' 71' ' ' TYR . 46.2 t -107.11 129.57 60.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.324 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.468 HG12 ' HD2' ' B' ' 16' ' ' LYS . 11.5 t -91.86 109.79 21.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.052 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 16.4 m -110.29 147.19 14.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.104 0.478 . . . . 10.0 111.145 -179.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 150.82 172.94 20.41 Favored Glycine 0 N--CA 1.445 -0.727 0 N-CA-C 110.946 -0.862 . . . . 10.0 110.946 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.27 -173.36 1.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.043 0.449 . . . . 10.0 111.451 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.29 150.88 19.76 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.116 0.484 . . . . 10.0 111.215 -179.665 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 71.22 20.14 77.87 Favored Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.248 -0.887 . . . . 10.0 113.601 179.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 26.8 m -98.76 -14.16 7.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.982 0.391 . . . . 10.0 111.875 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . 0.457 ' HA3' ' ND2' ' B' ' 116' ' ' ASN . . . 113.26 23.31 5.23 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.921 -0.657 . . . . 10.0 113.05 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . 0.468 ' HD2' HG12 ' B' ' 8' ' ' VAL . 1.5 mmmm -63.04 -52.41 62.94 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.075 0.464 . . . . 10.0 110.983 -179.591 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.05 -40.77 62.61 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.587 -179.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.42 -49.97 72.99 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.877 -0.601 . . . . 10.0 111.997 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 2.9 tp -60.47 -49.39 77.75 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.827 0.346 . . . . 10.0 110.959 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 7.4 m -61.75 -45.82 92.26 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.86 -0.609 . . . . 10.0 112.068 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.43 -34.85 69.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.789 0.328 . . . . 10.0 111.078 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' GLN . . . . . 0.707 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 7.0 mm-40 -65.91 -23.44 66.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.142 0.496 . . . . 10.0 111.062 179.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 36.8 tp -91.95 -39.67 11.56 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.828 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.467 HD11 HD12 ' B' ' 55' ' ' ILE . 51.0 mm -77.78 -64.31 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.046 -0.525 . . . . 10.0 112.2 -179.17 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -89.36 -10.54 46.25 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.398 -0.365 . . . . 10.0 111.71 -178.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . 0.707 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 40.5 m-80 63.42 35.73 11.93 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 114.206 1.187 . . . . 10.0 114.206 178.45 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -142.1 160.0 41.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.725 -0.216 . . . . 10.0 110.76 178.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' PHE . . . . . 0.421 ' HB2' ' NE2' ' B' ' 22' ' ' GLN . 63.5 t80 -104.34 126.65 51.62 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.227 0.537 . . . . 10.0 112.25 -178.656 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 3.3 m -90.85 125.19 43.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.511 -0.768 . . . . 10.0 109.725 178.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.15 -11.5 32.64 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.334 -0.393 . . . . 10.0 110.6 -179.646 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -93.5 138.42 31.81 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.171 -0.468 . . . . 10.0 110.243 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -75.71 120.72 21.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.489 -0.323 . . . . 10.0 111.224 -179.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . 0.439 ' HA ' ' HD2' ' B' ' 34' ' ' PRO . 25.9 t0 -127.34 101.06 25.37 Favored Pre-proline 0 C--O 1.237 0.437 0 CA-C-O 120.9 0.381 . . . . 10.0 111.647 179.471 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' PRO . . . . . 0.439 ' HD2' ' HA ' ' B' ' 33' ' ' ASP . 40.2 Cg_endo -68.42 106.38 1.41 Allowed 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 122.788 2.326 . . . . 10.0 112.056 179.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . 0.45 ' CG2' ' HB2' ' B' ' 38' ' ' ASP . 2.0 m -88.41 139.03 30.9 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.796 -0.638 . . . . 10.0 110.447 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.535 ' HA ' ' HB2' ' B' ' 59' ' ' ALA . 47.2 mm -93.12 -49.45 12.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 109.117 -0.697 . . . . 10.0 109.117 178.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -169.46 87.72 0.16 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.746 -0.661 . . . . 10.0 109.875 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . 0.45 ' HB2' ' CG2' ' B' ' 35' ' ' THR . 7.6 t0 -107.82 152.77 23.94 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.85 0.357 . . . . 10.0 110.357 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -126.41 136.13 52.29 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.218 -0.447 . . . . 10.0 111.246 -179.158 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -131.85 133.38 44.59 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.2 -0.455 . . . . 10.0 110.287 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.485 ' HD2' ' OD2' ' B' ' 54' ' ' ASP . 0.6 OUTLIER -113.46 139.37 48.98 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.446 -0.343 . . . . 10.0 110.603 -179.675 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 65.8 tttp -157.8 126.41 5.6 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.102 -0.499 . . . . 10.0 111.117 179.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . 0.445 ' HB3' HE21 ' B' ' 43' ' ' GLN . 5.4 tt0 -93.66 126.48 38.85 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.069 -0.514 . . . . 10.0 109.772 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 2.7 m -139.19 161.36 28.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.748 0.308 . . . . 10.0 111.032 -179.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 36.3 t -98.03 103.97 15.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.228 -0.656 . . . . 10.0 109.228 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 60.0 mt -115.27 127.78 72.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.181 -0.463 . . . . 10.0 111.011 -179.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . 0.567 ' OD1' ' HD2' ' B' ' 161' ' ' ARG . 55.3 m-20 68.61 8.3 6.62 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.827 -0.624 . . . . 10.0 111.842 179.352 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.59 -1.9 45.85 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.736 -0.745 . . . . 10.0 111.837 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -120.56 131.06 54.48 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.589 0.233 . . . . 10.0 110.583 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -74.59 131.0 40.59 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.049 -0.723 . . . . 10.0 109.049 179.441 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 50.0 m -136.0 150.04 49.07 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.04 0.448 . . . . 10.0 111.506 -179.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 53.4 tp -100.87 112.35 24.76 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.333 -0.988 . . . . 10.0 108.333 178.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . 0.521 HD13 HD11 ' B' ' 6' ' ' LEU . 43.9 mt -96.23 127.29 42.1 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.384 0.612 . . . . 10.0 112.397 -178.491 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . 0.485 ' OD2' ' HD2' ' B' ' 41' ' ' ARG . 23.0 t70 -101.21 97.36 7.89 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.142 -0.936 . . . . 10.0 108.477 178.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' ILE . . . . . 0.467 HD12 HD11 ' B' ' 24' ' ' ILE . 5.7 mt -89.41 133.28 31.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.567 -178.375 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 29.1 tp -123.17 104.23 9.04 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.286 0.565 . . . . 10.0 111.447 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -89.13 98.51 11.8 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.755 -0.831 . . . . 10.0 108.755 179.355 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.71 166.5 11.62 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.517 0.562 . . . . 10.0 112.517 -178.376 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' ALA . . . . . 0.535 ' HB2' ' HA ' ' B' ' 36' ' ' ILE . . . -65.18 154.16 38.85 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.697 -0.683 . . . . 10.0 112.2 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -135.29 33.58 2.42 Favored Glycine 0 N--CA 1.448 -0.545 0 N-CA-C 110.824 -0.91 . . . . 10.0 110.824 179.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -104.71 18.53 22.09 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.59 0.233 . . . . 10.0 111.344 -179.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.411 ' HB3' ' H ' ' B' ' 63' ' ' GLU . 1.0 OUTLIER 65.05 -158.98 0.29 Allowed 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.801 -0.636 . . . . 10.0 112.163 179.279 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . 0.411 ' H ' ' HB3' ' B' ' 62' ' ' GLU . 0.1 OUTLIER 73.44 -56.08 0.66 Allowed 'General case' 0 N--CA 1.464 0.248 0 O-C-N 123.783 0.677 . . . . 10.0 112.396 179.671 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' TYR . . . . . 0.659 ' HB3' ' HB3' ' B' ' 67' ' ' MET . 27.4 m-85 -64.79 93.0 0.1 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.777 0.658 . . . . 10.0 112.777 -178.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 5.4 m -94.74 -48.88 5.86 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.946 -0.57 . . . . 10.0 109.642 179.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.46 -38.01 86.39 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 116.211 -0.45 . . . . 10.0 111.065 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . 0.659 ' HB3' ' HB3' ' B' ' 64' ' ' TYR . 25.4 ttt -64.16 -37.25 86.77 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.183 179.405 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' ARG . . . . . 0.492 ' HA ' ' CE1' ' B' ' 71' ' ' TYR . 0.0 OUTLIER -59.99 -38.66 83.25 Favored 'General case' 0 C--N 1.334 -0.097 0 CA-C-N 115.53 -0.759 . . . . 10.0 111.282 -179.549 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.38 -20.96 66.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.762 -0.654 . . . . 10.0 112.316 -179.358 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -79.25 -65.75 0.96 Allowed 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 120.812 -0.355 . . . . 10.0 111.64 -179.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' TYR . . . . . 0.492 ' CE1' ' HA ' ' B' ' 68' ' ' ARG . 46.9 p90 -65.36 -29.75 70.5 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 113.752 1.019 . . . . 10.0 113.752 -178.423 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . 0.426 ' HB2' ' O ' ' B' ' 68' ' ' ARG . 35.1 mtt -71.48 -16.78 62.37 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-O 120.879 0.371 . . . . 10.0 111.228 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' B' ' 73' ' ' ARG . 41.4 ttm105 -85.62 -46.61 10.62 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.15 0.5 . . . . 10.0 110.302 179.535 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.31 -29.65 61.71 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.714 -0.676 . . . . 10.0 112.436 -179.024 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -61.41 138.74 47.21 Favored Glycine 0 C--N 1.329 0.172 0 C-N-CA 121.0 -0.619 . . . . 10.0 113.594 -178.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -98.67 -43.06 6.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.018 0.437 . . . . 10.0 110.101 179.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -123.11 132.02 8.43 Favored Glycine 0 N--CA 1.444 -0.818 0 N-CA-C 110.667 -0.973 . . . . 10.0 110.667 179.074 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . 0.743 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 98.3 m-85 -112.89 117.55 32.43 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.701 0.63 . . . . 10.0 112.701 -178.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.661 HD12 ' HB ' ' B' ' 112' ' ' VAL . 11.9 tp -88.32 105.16 17.39 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 108.941 -0.763 . . . . 10.0 108.941 179.436 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . 0.565 ' HB3' HD12 ' B' ' 93' ' ' ILE . 3.8 m -81.8 96.17 7.52 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.236 -179.739 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 25.3 t -98.24 127.8 50.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.234 0.54 . . . . 10.0 111.582 -178.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 82' ' ' PHE . . . . . 0.618 ' HE2' ' HG ' ' B' ' 113' ' ' LEU . 47.3 p90 -141.18 149.56 41.61 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.396 -0.82 . . . . 10.0 109.305 178.127 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.418 ' HB1' ' OD1' ' B' ' 85' ' ' ASN . . . -89.42 132.64 34.9 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.906 -0.405 . . . . 10.0 109.906 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . 0.488 HD13 ' HB3' ' B' ' 123' ' ' ARG . 2.5 pp -66.95 -17.26 22.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.882 0.372 . . . . 10.0 111.608 -179.67 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . 0.418 ' OD1' ' HB1' ' B' ' 83' ' ' ALA . 25.1 p-10 -100.1 19.53 16.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.595 179.411 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -139.29 113.22 8.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.283 179.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.74 -34.94 67.36 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.165 0.432 . . . . 10.0 112.165 -179.047 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 29.3 tptp -60.38 -50.99 71.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 10.0 111.392 -179.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 2.9 m -60.13 -34.98 74.27 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 112.233 0.457 . . . . 10.0 112.233 -179.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . 0.452 ' HB2' HG21 ' B' ' 125' ' ' VAL . 41.2 t80 -63.69 -51.11 66.52 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.764 0.316 . . . . 10.0 111.53 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -73.83 -18.86 60.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.458 -0.337 . . . . 10.0 111.731 -179.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -68.7 -24.14 64.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.744 0.307 . . . . 10.0 111.206 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 93' ' ' ILE . . . . . 0.565 HD12 ' HB3' ' B' ' 80' ' ' CYS . 51.8 mm -59.41 -37.9 72.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.769 -179.747 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 63.5 t60 -61.59 -45.96 91.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 10.0 110.396 179.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 62.2 m-70 -64.35 -37.12 86.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.766 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -69.45 -42.67 74.63 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.706 -0.679 . . . . 10.0 110.413 179.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 97' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' B' ' 97' ' ' ARG . 43.0 ttt-85 -60.74 -45.21 95.16 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 120.902 0.382 . . . . 10.0 110.43 179.334 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -62.66 -38.72 91.41 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.178 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 99' ' ' GLN . . . . . 0.461 ' O ' HG23 ' B' ' 103' ' ' VAL . 40.3 tt0 -64.52 -50.62 66.64 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.565 -0.743 . . . . 10.0 110.453 179.214 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . 0.441 HG21 HG11 ' B' ' 109' ' ' VAL . 76.8 mt -56.65 -44.18 80.61 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 CA-C-N 116.165 -0.47 . . . . 10.0 111.221 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 101' ' ' LYS . . . . . 0.424 ' HB2' ' HE3' ' B' ' 101' ' ' LYS . 36.3 mtmt -59.41 -36.61 76.16 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.297 -0.41 . . . . 10.0 111.496 179.723 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 6.8 tmm_? -74.22 -44.21 54.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.989 -0.551 . . . . 10.0 110.999 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 103' ' ' VAL . . . . . 0.461 HG23 ' O ' ' B' ' 99' ' ' GLN . 52.2 t -64.22 -42.76 96.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.528 -0.305 . . . . 10.0 111.698 -179.218 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -89.5 -6.16 56.66 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.367 0.506 . . . . 10.0 112.367 -179.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 32.6 t0 53.75 51.1 15.58 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 121.316 0.579 . . . . 10.0 110.728 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 27.0 t -163.01 144.5 9.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.326 -0.852 . . . . 10.0 109.891 -179.046 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -89.85 -27.93 19.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.852 0.358 . . . . 10.0 110.105 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -84.09 92.76 7.97 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.837 -0.619 . . . . 10.0 110.478 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . 0.441 HG11 HG21 ' B' ' 100' ' ' ILE . 62.1 t -127.19 127.06 24.34 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.488 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 110' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 18.0 Cg_exo -67.63 110.3 2.06 Favored 'Trans proline' 0 C--O 1.235 0.345 0 C-N-CA 122.891 2.394 . . . . 10.0 111.304 179.305 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 111' ' ' MET . . . . . 0.743 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 54.9 mtm -136.6 148.27 47.4 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.832 -0.622 . . . . 10.0 111.189 -179.461 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . 0.661 ' HB ' HD12 ' B' ' 79' ' ' LEU . 88.3 t -121.16 127.76 75.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.084 -0.507 . . . . 10.0 109.871 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . 0.618 ' HG ' ' HE2' ' B' ' 82' ' ' PHE . 13.5 tp -85.15 109.85 18.57 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.233 -0.654 . . . . 10.0 109.233 179.183 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 72.2 t -114.33 115.63 50.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.962 0.41 . . . . 10.0 112.041 -178.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -99.24 105.72 3.1 Favored Glycine 0 N--CA 1.446 -0.684 0 N-CA-C 109.058 -1.617 . . . . 10.0 109.058 177.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 116' ' ' ASN . . . . . 0.457 ' ND2' ' HA3' ' B' ' 15' ' ' GLY . 63.0 t30 -92.21 162.88 14.13 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 112.288 0.477 . . . . 10.0 112.288 -178.063 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 90.9 mttt 71.26 25.41 3.56 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.102 -0.954 . . . . 10.0 112.518 179.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 118' ' ' CYS . . . . . 0.424 ' HA ' HG12 ' B' ' 84' ' ' ILE . 18.7 m -63.32 -18.41 63.6 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 113.058 0.762 . . . . 10.0 113.058 -179.661 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -82.67 -5.93 59.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.773 0.321 . . . . 10.0 111.143 -179.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 45.8 mt -88.33 138.73 30.25 Favored Pre-proline 0 C--N 1.328 -0.36 0 N-CA-C 109.992 -0.373 . . . . 10.0 109.992 179.191 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -73.71 158.68 46.72 Favored 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 123.066 2.511 . . . . 10.0 112.438 -179.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 22.6 m 63.7 67.58 0.62 Allowed 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.707 -0.679 . . . . 10.0 112.305 178.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 123' ' ' ARG . . . . . 0.488 ' HB3' HD13 ' B' ' 84' ' ' ILE . 17.6 ptp180 -84.86 137.63 33.03 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.688 -0.687 . . . . 10.0 110.536 179.682 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.5 -33.27 20.38 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.745 -0.465 . . . . 10.0 109.745 179.096 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 125' ' ' VAL . . . . . 0.452 HG21 ' HB2' ' B' ' 90' ' ' PHE . 60.5 t -96.66 112.17 28.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.168 179.351 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 126' ' ' ASP . . . . . 0.473 ' HB3' ' HE3' ' B' ' 128' ' ' LYS . 0.7 OUTLIER -74.32 145.24 44.07 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.736 -0.666 . . . . 10.0 109.43 179.178 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 1.5 m -55.83 -37.3 68.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.234 0.54 . . . . 10.0 110.699 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 128' ' ' LYS . . . . . 0.6 ' HB3' ' HA ' ' C' ' 47' ' ' ASP . 20.4 mtmt -58.61 -56.99 15.0 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.146 -0.934 . . . . 10.0 111.806 -179.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -63.67 -26.84 68.85 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 111.924 0.342 . . . . 10.0 111.924 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -71.17 -49.7 41.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 10.0 109.913 179.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . 0.437 ' HG3' ' HD2' ' B' ' 141' ' ' PHE . 11.1 mt-30 -68.87 -29.87 68.26 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.167 179.24 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -61.81 -38.38 87.92 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.278 178.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 34.5 tp -70.79 -38.41 73.37 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.811 -0.632 . . . . 10.0 110.45 179.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -69.99 -31.05 68.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.66 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? -57.8 -44.69 86.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.634 -0.712 . . . . 10.0 111.115 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.1 -20.49 63.19 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.097 -0.501 . . . . 10.0 111.756 -179.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 20.5 m-30 -88.08 -42.71 12.2 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.258 0.551 . . . . 10.0 110.903 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 105.66 -0.01 39.64 Favored Glycine 0 N--CA 1.448 -0.54 0 N-CA-C 111.169 -0.772 . . . . 10.0 111.169 -179.217 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 45.2 pt -99.79 158.83 31.4 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 109.991 -0.374 . . . . 10.0 109.991 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -88.12 151.9 6.92 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.671 2.248 . . . . 10.0 113.405 -179.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 141' ' ' PHE . . . . . 0.437 ' HD2' ' HG3' ' B' ' 131' ' ' GLN . 27.7 t80 -112.65 134.84 53.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.652 -0.704 . . . . 10.0 109.377 178.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 13.6 mt -123.23 133.62 68.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.781 0.324 . . . . 10.0 111.619 -179.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -87.32 111.88 21.51 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.164 -1.05 . . . . 10.0 108.164 177.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -120.28 164.88 15.62 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.553 0.692 . . . . 10.0 112.211 -177.284 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 5.4 t -153.23 116.14 4.54 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 107.98 -1.119 . . . . 10.0 107.98 178.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.7 -29.23 61.12 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.62 -0.511 . . . . 10.0 109.62 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -62.43 -43.21 99.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.515 -0.766 . . . . 10.0 110.948 179.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 68.5 p -93.71 -19.87 20.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.945 0.402 . . . . 10.0 110.779 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 149' ' ' ARG . . . . . 0.534 ' HG3' ' HB3' ' B' ' 22' ' ' GLN . 23.2 ttt-85 72.69 15.05 4.95 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.579 -0.737 . . . . 10.0 111.474 -179.446 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 150' ' ' GLN . . . . . 0.449 HE22 ' NE2' ' C' ' 150' ' ' GLN . 35.6 tt0 -81.93 123.73 29.11 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.312 -0.404 . . . . 10.0 111.135 -179.704 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 84.36 -2.19 88.1 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 121.1 -0.571 . . . . 10.0 113.216 179.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 55.3 t -58.53 -51.25 73.96 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 N-CA-C 111.948 0.351 . . . . 10.0 111.948 -179.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -63.34 -44.19 95.57 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 110.156 -0.313 . . . . 10.0 110.156 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -58.94 -42.36 89.57 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.041 -0.527 . . . . 10.0 112.18 -179.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -53.53 -52.04 60.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.016 0.436 . . . . 10.0 111.124 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -69.03 -37.48 78.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.807 -0.633 . . . . 10.0 111.103 179.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -61.74 -40.64 95.81 Favored 'General case' 0 N--CA 1.457 -0.104 0 CA-C-O 120.934 0.397 . . . . 10.0 110.361 179.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 158' ' ' THR . . . . . 0.495 ' O ' ' HG2' ' B' ' 162' ' ' GLU . 22.1 m -60.99 -39.57 90.17 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.852 179.572 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 159' ' ' LEU . . . . . 0.489 HD23 ' HB3' ' B' ' 6' ' ' LEU . 15.2 tp -58.52 -40.19 82.2 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.731 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 39.4 t -67.31 -38.83 81.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.474 -0.565 . . . . 10.0 109.474 178.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 161' ' ' ARG . . . . . 0.567 ' HD2' ' OD1' ' B' ' 47' ' ' ASP . 0.2 OUTLIER -63.44 -39.54 94.76 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.022 179.065 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 162' ' ' GLU . . . . . 0.495 ' HG2' ' O ' ' B' ' 158' ' ' THR . 32.0 mm-40 -64.17 -41.42 97.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.857 -0.611 . . . . 10.0 110.692 179.436 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 163' ' ' ILE . . . . . 0.411 HG13 ' O ' ' B' ' 159' ' ' LEU . 79.9 mt -65.3 -43.24 95.12 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.122 0 N-CA-C 109.488 -0.56 . . . . 10.0 109.488 178.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 164' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' B' ' 164' ' ' ARG . 35.1 mtt180 -61.96 -39.01 90.68 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 116.129 -0.487 . . . . 10.0 109.881 178.77 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 165' ' ' LYS . . . . . 0.484 ' HG3' ' HG2' ' C' ' 135' ' ' ARG . 22.1 mtmt . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 115.956 -0.565 . . . . 10.0 110.205 179.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 8.5 m . . . . . 0 CA--C 1.529 0.141 0 CA-C-O 120.83 0.347 . . . . 10.0 111.545 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' C' C ' 2' ' ' THR . . . . . 0.401 ' HB ' ' CE2' ' C' ' 4' ' ' TYR . 0.2 OUTLIER -70.21 126.58 30.09 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.4 -0.364 . . . . 10.0 111.502 -179.215 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -97.87 135.0 40.24 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.784 -0.45 . . . . 10.0 109.784 179.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 4' ' ' TYR . . . . . 0.434 ' CE2' ' HB3' ' C' ' 51' ' ' CYS . 96.5 m-85 -125.26 114.08 18.47 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.425 -0.352 . . . . 10.0 110.921 -179.319 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 5' ' ' LYS . . . . . 0.556 ' HA ' ' HB3' ' C' ' 54' ' ' ASP . 51.3 mttm -85.71 119.65 26.27 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.543 -0.54 . . . . 10.0 109.543 179.029 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . 0.582 HD11 HG22 ' C' ' 160' ' ' VAL . 20.1 mt -124.58 133.54 53.25 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.011 0.434 . . . . 10.0 111.289 -178.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 58.7 t -113.31 129.25 69.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.048 -0.524 . . . . 10.0 110.212 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.504 HG12 ' HD2' ' C' ' 16' ' ' LYS . 3.0 t -92.35 109.73 21.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.595 -0.52 . . . . 10.0 109.595 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 15.9 m -106.49 150.18 9.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.481 -0.327 . . . . 10.0 111.446 -179.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 155.66 176.79 28.22 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 121.229 -0.51 . . . . 10.0 112.034 -179.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.88 -174.51 5.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.987 0.422 . . . . 10.0 111.363 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.67 144.14 26.04 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.847 0.356 . . . . 10.0 110.957 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.76 11.99 83.3 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 121.121 -0.562 . . . . 10.0 113.523 179.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 34.8 m -89.52 -21.49 6.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 117.407 0.603 . . . . 10.0 111.922 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 108.68 20.2 8.25 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.635 -0.793 . . . . 10.0 113.709 179.052 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . 0.504 ' HD2' HG12 ' C' ' 8' ' ' VAL . 33.6 mtmt -56.96 -45.17 83.03 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 112.126 0.417 . . . . 10.0 112.126 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.28 -39.09 55.18 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.644 -0.253 . . . . 10.0 110.64 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.91 -48.59 77.87 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.407 -0.36 . . . . 10.0 110.92 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 19' ' ' LEU . . . . . 0.568 ' HB3' ' HZ ' ' C' ' 156' ' ' PHE . 84.2 mt -61.4 -46.86 88.38 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.335 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 6.6 m -66.88 -46.16 75.84 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.133 -0.485 . . . . 10.0 112.106 -179.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 84.7 mt -61.58 -32.9 54.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.181 0.515 . . . . 10.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 22' ' ' GLN . . . . . 0.658 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 5.3 mm-40 -65.23 -27.28 68.56 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.547 -0.751 . . . . 10.0 111.268 179.661 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 16.6 tp -92.43 -34.26 14.2 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.973 0.416 . . . . 10.0 111.324 -179.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 50.8 mm -81.91 -59.3 2.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.207 -0.451 . . . . 10.0 112.114 -178.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -91.23 -16.35 27.77 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.694 0.283 . . . . 10.0 111.75 -178.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 26' ' ' ASN . . . . . 0.658 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 26.5 m-80 70.16 30.36 3.5 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 114.149 1.166 . . . . 10.0 114.149 178.144 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -137.21 156.4 48.36 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 120.929 -0.309 . . . . 10.0 110.748 179.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -93.88 135.33 35.32 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.086 0.469 . . . . 10.0 110.721 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 5.8 m -100.43 132.84 45.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.143 -0.481 . . . . 10.0 110.979 179.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -108.52 -9.63 15.34 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.975 0.893 . . . . 10.0 109.472 179.009 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -91.45 143.45 26.59 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.013 -0.994 . . . . 10.0 109.985 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -75.34 115.53 15.09 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.607 -0.269 . . . . 10.0 110.693 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -110.49 108.56 58.34 Favored Pre-proline 0 C--O 1.238 0.48 0 CA-C-N 116.286 -0.415 . . . . 10.0 111.708 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -75.69 77.66 3.29 Favored 'Trans proline' 0 N--CA 1.459 -0.559 0 C-N-CA 122.727 2.285 . . . . 10.0 110.514 178.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 35' ' ' THR . . . . . 0.45 HG22 ' HB2' ' C' ' 38' ' ' ASP . 0.2 OUTLIER -73.47 120.89 19.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.019 -0.537 . . . . 10.0 109.871 179.416 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . 0.891 ' HA ' ' HB2' ' C' ' 59' ' ' ALA . 27.1 mm -95.38 -46.01 13.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.073 0.463 . . . . 10.0 110.203 -179.759 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -164.83 91.57 0.56 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.776 -0.647 . . . . 10.0 109.271 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 38' ' ' ASP . . . . . 0.45 ' HB2' HG22 ' C' ' 35' ' ' THR . 0.3 OUTLIER -120.42 131.55 54.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.471 -0.331 . . . . 10.0 111.499 -179.001 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 4.4 m -100.64 144.64 29.37 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.796 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -135.29 136.25 41.48 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.314 -0.403 . . . . 10.0 110.24 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . 0.615 ' HA ' ' O ' ' C' ' 53' ' ' LEU . 0.2 OUTLIER -124.1 129.11 50.3 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.713 0.292 . . . . 10.0 110.648 179.19 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -143.2 146.83 34.03 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.51 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -104.03 120.94 42.13 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.504 -0.554 . . . . 10.0 109.504 179.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 31.2 m -127.65 150.37 33.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.137 0.494 . . . . 10.0 111.131 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 22.2 t -112.64 82.88 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.096 -0.705 . . . . 10.0 109.096 179.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 34.5 pt -107.98 139.25 30.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.589 -179.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 47' ' ' ASP . . . . . 0.6 ' HA ' ' HB3' ' B' ' 128' ' ' LYS . 11.2 m-20 61.87 15.98 7.6 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.406 -0.816 . . . . 10.0 111.219 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 86.09 14.0 67.73 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.888 -0.672 . . . . 10.0 111.767 -179.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -118.11 134.93 54.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.778 0.323 . . . . 10.0 110.865 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -86.77 103.16 14.94 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.03 -1.1 . . . . 10.0 108.03 178.25 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 51' ' ' CYS . . . . . 0.434 ' HB3' ' CE2' ' C' ' 4' ' ' TYR . 0.8 OUTLIER -108.3 144.59 35.61 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 112.627 0.603 . . . . 10.0 112.627 -178.353 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 62.9 tp -104.21 113.98 27.91 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 108.315 -0.994 . . . . 10.0 108.315 178.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . 0.615 ' O ' ' HA ' ' C' ' 41' ' ' ARG . 33.1 mt -85.13 121.35 27.76 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 112.711 0.634 . . . . 10.0 112.711 -178.002 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . 0.579 ' OD1' ' HD2' ' C' ' 41' ' ' ARG . 26.5 t70 -109.75 74.63 0.9 Allowed 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 107.447 -1.316 . . . . 10.0 107.447 178.182 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 55' ' ' ILE . . . . . 0.529 ' HA ' ' O ' ' C' ' 6' ' ' LEU . 2.5 mt -86.79 158.36 3.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.415 -0.811 . . . . 10.0 111.761 -177.571 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 6.6 tp -152.24 120.99 6.51 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.323 -0.398 . . . . 10.0 111.307 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -97.33 116.49 29.64 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 108.575 -0.898 . . . . 10.0 108.575 177.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 58' ' ' THR . . . . . 0.553 HG21 ' CE1' ' C' ' 71' ' ' TYR . 0.6 OUTLIER -107.98 157.49 18.18 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.258 -0.428 . . . . 10.0 111.612 -178.914 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 59' ' ' ALA . . . . . 0.891 ' HB2' ' HA ' ' C' ' 36' ' ' ILE . . . -65.96 121.03 14.17 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.814 -0.63 . . . . 10.0 112.623 -179.347 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -103.03 41.93 2.01 Favored Glycine 0 N--CA 1.448 -0.512 0 N-CA-C 110.382 -1.087 . . . . 10.0 110.382 178.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -94.14 13.13 24.15 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.651 -0.275 . . . . 10.0 111.713 -178.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 68.13 172.16 0.28 Allowed 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.062 -0.517 . . . . 10.0 111.845 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 67.42 39.65 2.87 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.316 0.579 . . . . 10.0 109.651 -179.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -131.02 35.55 3.94 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.151 -0.932 . . . . 10.0 110.269 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 1.9 m -62.71 -24.43 67.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.933 -0.576 . . . . 10.0 111.797 -179.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.15 -40.59 9.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.957 0.408 . . . . 10.0 110.96 179.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 67' ' ' MET . . . . . 0.458 ' HA ' ' OE1' ' C' ' 70' ' ' GLN . 21.2 ttt -67.5 -41.19 84.9 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.972 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 68' ' ' ARG . . . . . 0.695 ' HB3' HE22 ' C' ' 99' ' ' GLN . 6.8 ttp180 -66.91 -12.84 60.74 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.991 -0.549 . . . . 10.0 111.632 -179.504 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -81.49 -23.38 37.39 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.021 -0.536 . . . . 10.0 111.172 -179.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 70' ' ' GLN . . . . . 0.458 ' OE1' ' HA ' ' C' ' 67' ' ' MET . 38.4 mt-30 -74.61 -73.73 0.23 Allowed 'General case' 0 C--O 1.234 0.285 0 N-CA-C 112.768 0.655 . . . . 10.0 112.768 -178.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 71' ' ' TYR . . . . . 0.629 ' CZ ' ' HA ' ' C' ' 68' ' ' ARG . 15.1 p90 -60.54 -11.32 6.74 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.426 0.899 . . . . 10.0 113.426 -178.176 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 72' ' ' MET . . . . . 0.586 ' SD ' ' HA ' ' C' ' 100' ' ' ILE . 26.2 ttm -71.84 -24.46 61.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.339 0.59 . . . . 10.0 110.345 179.274 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 69.0 mtt180 -80.8 -43.31 20.29 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.78 -0.646 . . . . 10.0 109.705 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -73.8 -41.67 62.03 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.542 -0.754 . . . . 10.0 112.065 -179.291 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.9 131.01 36.58 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 121.012 -0.613 . . . . 10.0 112.795 -179.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -96.07 -45.75 6.77 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.05 0.452 . . . . 10.0 110.518 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -108.99 131.94 10.83 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.95 -0.643 . . . . 10.0 111.775 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 78' ' ' PHE . . . . . 0.408 ' HZ ' ' HA ' ' C' ' 72' ' ' MET . 87.6 m-85 -113.96 122.0 45.62 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.8 0.333 . . . . 10.0 111.09 -179.731 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 79' ' ' LEU . . . . . 0.579 ' HG ' HG23 ' C' ' 81' ' ' VAL . 17.5 tp -91.83 106.98 18.88 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.873 -0.603 . . . . 10.0 110.465 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 2.7 m -84.96 85.15 7.51 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.857 -0.61 . . . . 10.0 110.819 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 81' ' ' VAL . . . . . 0.579 HG23 ' HG ' ' C' ' 79' ' ' LEU . 94.9 t -97.54 131.87 43.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.562 -0.745 . . . . 10.0 110.099 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 82' ' ' PHE . . . . . 0.729 ' HB2' ' HB2' ' C' ' 89' ' ' SER . 34.4 p90 -139.89 158.49 44.0 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.826 -0.625 . . . . 10.0 110.185 178.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -90.89 126.93 36.19 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.556 -0.535 . . . . 10.0 109.556 179.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 84' ' ' ILE . . . . . 0.571 ' CD1' ' HA ' ' C' ' 118' ' ' CYS . 21.4 pt -67.2 -17.99 23.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.929 0.395 . . . . 10.0 111.694 -179.166 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 19.9 p-10 -95.41 -8.03 36.7 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.488 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -120.73 103.18 8.91 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.981 0.42 . . . . 10.0 110.039 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.06 -24.78 67.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.956 -0.566 . . . . 10.0 112.523 -178.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -58.07 -44.38 87.51 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 120.95 0.405 . . . . 10.0 110.155 179.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 89' ' ' SER . . . . . 0.729 ' HB2' ' HB2' ' C' ' 82' ' ' PHE . 0.0 OUTLIER -66.59 -31.17 71.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.95 -0.568 . . . . 10.0 111.291 179.637 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -69.05 -39.75 78.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.037 -0.528 . . . . 10.0 111.096 -179.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 63.9 mt-10 -80.5 -27.8 37.66 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.902 0.382 . . . . 10.0 110.777 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.74 -21.45 66.76 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.97 -0.559 . . . . 10.0 111.164 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 93' ' ' ILE . . . . . 0.502 HD11 ' HB3' ' C' ' 82' ' ' PHE . 42.0 mm -57.16 -43.3 81.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 10.0 111.019 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -60.19 -36.3 77.31 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.123 -0.489 . . . . 10.0 110.853 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 50.6 m-70 -62.82 -42.01 99.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.369 179.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -69.02 -46.72 67.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.881 -0.6 . . . . 10.0 110.117 179.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -52.91 -51.36 61.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.692 -179.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -67.41 -37.23 82.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.312 -0.404 . . . . 10.0 112.03 -179.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 99' ' ' GLN . . . . . 0.695 HE22 ' HB3' ' C' ' 68' ' ' ARG . 26.5 tt0 -66.27 -47.0 75.12 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.606 -0.27 . . . . 10.0 110.797 -179.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 100' ' ' ILE . . . . . 0.586 ' HA ' ' SD ' ' C' ' 72' ' ' MET . 87.3 mt -60.12 -39.78 81.48 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 CA-C-O 121.092 0.473 . . . . 10.0 110.347 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 3.0 mtmt -67.56 -21.36 65.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.685 -0.689 . . . . 10.0 111.676 179.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 15.6 ttm180 -88.03 -47.17 8.72 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.35 0.595 . . . . 10.0 111.439 -179.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 103' ' ' VAL . . . . . 0.421 HG11 ' HB3' ' C' ' 72' ' ' MET . 60.8 t -64.8 -51.05 71.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.791 -0.64 . . . . 10.0 111.522 -179.299 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -79.52 -16.52 55.84 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 116.407 -0.36 . . . . 10.0 111.455 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 20.6 t0 58.12 32.83 22.51 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 121.448 0.642 . . . . 10.0 112.371 178.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 4.4 m -122.79 150.98 42.08 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.883 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -88.48 -48.8 7.34 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.632 -0.507 . . . . 10.0 109.632 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -76.48 98.61 4.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.401 -0.818 . . . . 10.0 110.298 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 109' ' ' VAL . . . . . 0.409 HG12 ' HG3' ' C' ' 111' ' ' MET . 76.3 t -119.41 110.03 37.92 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 115.563 -0.744 . . . . 10.0 109.905 -179.679 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -65.37 112.99 2.28 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.817 2.345 . . . . 10.0 111.153 179.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 111' ' ' MET . . . . . 0.409 ' HG3' HG12 ' C' ' 109' ' ' VAL . 56.3 mtm -137.94 163.8 30.6 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.504 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 75.5 t -139.12 127.43 27.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 108.872 -0.788 . . . . 10.0 108.872 179.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 113' ' ' LEU . . . . . 0.517 ' O ' ' HA ' ' C' ' 141' ' ' PHE . 14.0 tp -88.31 110.87 21.11 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.356 -0.609 . . . . 10.0 109.356 179.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 60.9 t -116.15 127.92 73.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 112.44 0.533 . . . . 10.0 112.44 -178.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -101.53 118.1 6.05 Favored Glycine 0 N--CA 1.444 -0.808 0 N-CA-C 109.284 -1.526 . . . . 10.0 109.284 178.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -100.44 158.38 15.95 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.927 0.364 . . . . 10.0 111.938 -178.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 79.2 mttt 64.83 41.54 4.92 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-N 115.547 -0.751 . . . . 10.0 112.09 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 118' ' ' CYS . . . . . 0.571 ' HA ' ' CD1' ' C' ' 84' ' ' ILE . 73.8 m -74.82 2.48 10.07 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.2 -0.454 . . . . 10.0 111.813 179.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -92.73 -9.35 40.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.007 0.432 . . . . 10.0 110.489 179.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 64.1 mt -74.81 132.82 77.01 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.894 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -72.38 139.25 31.47 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.539 2.16 . . . . 10.0 111.909 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 13.2 m 70.31 76.09 0.2 Allowed 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 115.582 -0.735 . . . . 10.0 111.636 -179.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 9.5 ptp180 -81.03 136.63 36.0 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.667 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -76.08 -48.78 19.5 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.881 0.372 . . . . 10.0 110.902 179.449 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 99.1 t -85.16 121.01 36.5 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 CA-C-N 116.299 -0.41 . . . . 10.0 110.772 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.5 137.58 34.58 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.949 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.24 -25.03 67.59 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.167 0.508 . . . . 10.0 110.258 179.19 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -51.88 -49.89 62.07 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 115.122 -0.944 . . . . 10.0 111.932 179.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -96.52 -16.72 20.95 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.972 0.36 . . . . 10.0 111.972 -179.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.85 -42.82 94.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.843 0.354 . . . . 10.0 110.663 179.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -81.81 -22.15 37.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.295 -0.411 . . . . 10.0 110.673 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 132' ' ' ASP . . . . . 0.421 ' O ' ' HB3' ' C' ' 135' ' ' ARG . 2.0 t70 -63.81 -40.07 95.76 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.921 -0.582 . . . . 10.0 110.04 178.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 13.4 tp -66.02 -38.25 87.97 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.378 -0.828 . . . . 10.0 109.711 179.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -68.85 -27.91 66.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.636 -0.711 . . . . 10.0 111.077 179.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 135' ' ' ARG . . . . . 0.484 ' HG2' ' HG3' ' B' ' 165' ' ' LYS . 3.7 tmm_? -57.19 -47.26 81.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.998 -0.547 . . . . 10.0 112.069 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.96 -21.15 55.2 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.898 0.38 . . . . 10.0 112.009 -179.128 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 15.3 m-30 -83.2 -33.62 26.11 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.736 0.303 . . . . 10.0 110.981 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 91.18 16.58 53.36 Favored Glycine 0 N--CA 1.451 -0.332 0 N-CA-C 110.975 -0.85 . . . . 10.0 110.975 -179.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 49.9 pt -106.12 154.49 39.57 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 115.276 -0.462 . . . . 10.0 110.197 -179.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -88.72 150.74 6.13 Favored 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 122.353 2.035 . . . . 10.0 112.805 179.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 141' ' ' PHE . . . . . 0.517 ' HA ' ' O ' ' C' ' 113' ' ' LEU . 76.9 t80 -113.78 128.7 56.52 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.205 -0.665 . . . . 10.0 109.205 178.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 54.9 mt -123.07 126.16 73.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.046 0.451 . . . . 10.0 111.969 -179.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -83.63 128.75 34.76 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.718 -1.215 . . . . 10.0 107.718 177.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 5.7 p -137.36 160.26 39.59 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 114.088 1.144 . . . . 10.0 114.088 -178.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 26.0 t -153.71 108.91 3.17 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.398 -1.274 . . . . 10.0 107.626 177.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 146' ' ' ALA . . . . . 0.411 ' HA ' HG21 ' C' ' 152' ' ' VAL . . . -69.35 -24.79 63.95 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.334 -0.394 . . . . 10.0 111.524 -179.102 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -63.97 -42.43 97.26 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.957 179.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 7.9 p -93.76 -14.1 26.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.357 -0.383 . . . . 10.0 111.392 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 59.75 48.22 9.46 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.94 -179.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 150' ' ' GLN . . . . . 0.449 ' NE2' HE22 ' B' ' 150' ' ' GLN . 56.2 tt0 -118.43 112.48 20.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.849 -0.614 . . . . 10.0 112.005 -179.376 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 84.84 -11.86 58.67 Favored Glycine 0 N--CA 1.452 -0.248 0 CA-C-N 115.847 -0.615 . . . . 10.0 113.58 178.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 152' ' ' VAL . . . . . 0.411 HG21 ' HA ' ' C' ' 146' ' ' ALA . 38.6 t -63.4 -42.44 96.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.742 0.306 . . . . 10.0 111.744 -178.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.26 -54.98 37.19 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.861 -0.609 . . . . 10.0 111.761 -179.095 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -65.44 -24.02 67.08 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 112.661 0.615 . . . . 10.0 112.661 -178.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -59.89 -44.17 94.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.018 0.437 . . . . 10.0 110.512 179.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 156' ' ' PHE . . . . . 0.568 ' HZ ' ' HB3' ' C' ' 19' ' ' LEU . 23.2 m-85 -68.3 -38.57 81.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.653 -0.703 . . . . 10.0 110.461 179.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 15.2 m-30 -66.37 -38.29 87.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.882 -0.599 . . . . 10.0 111.113 -179.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 37.3 m -63.68 -35.21 79.8 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.198 -0.455 . . . . 10.0 110.125 179.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 159' ' ' LEU . . . . . 0.455 HD22 HD13 ' C' ' 79' ' ' LEU . 33.5 tp -63.27 -37.89 89.03 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 116.17 -0.468 . . . . 10.0 109.754 178.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 160' ' ' VAL . . . . . 0.582 HG22 HD11 ' C' ' 6' ' ' LEU . 44.0 t -70.67 -40.88 77.53 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 CA-C-N 115.753 -0.658 . . . . 10.0 110.17 179.316 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 161' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' C' ' 161' ' ' ARG . 28.5 mtm-85 -62.37 -36.83 83.49 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.228 -0.442 . . . . 10.0 111.867 -179.664 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -61.0 -30.0 70.03 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.611 -0.268 . . . . 10.0 110.905 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 163' ' ' ILE . . . . . 0.486 HG22 ' HE3' ' C' ' 167' ' ' LYS . 46.0 mm -68.76 -43.66 82.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.064 178.725 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 33.2 ttm180 -68.12 -39.2 82.8 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 109.125 -0.695 . . . . 10.0 109.125 179.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.76 -40.21 91.64 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.336 -0.847 . . . . 10.0 109.425 178.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 15.9 t-80 -65.47 -44.26 87.72 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.606 -0.725 . . . . 10.0 110.293 179.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 167' ' ' LYS . . . . . 0.486 ' HE3' HG22 ' C' ' 163' ' ' ILE . 97.3 mttt . . . . . 0 C--O 1.235 0.323 0 CA-C-N 116.33 -0.395 . . . . 10.0 110.846 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 18.2 tttm . . . . . 0 N--CA 1.454 -0.235 0 CA-C-O 120.684 0.278 . . . . 10.0 111.323 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 96.4 mt -65.66 -29.0 69.51 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.903 0.334 . . . . 10.0 111.903 -179.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 45.8 mt -82.2 -50.9 8.48 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.51 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -63.32 -43.42 97.83 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.579 -0.737 . . . . 10.0 112.495 -179.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -69.95 -23.73 63.24 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.845 0.355 . . . . 10.0 111.409 -179.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 27.6 t90 -77.82 -26.3 49.46 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.212 0.53 . . . . 10.0 109.654 179.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -61.48 -28.8 69.55 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.427 -0.806 . . . . 10.0 110.9 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -74.2 -25.76 59.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.825 -0.625 . . . . 10.0 109.654 178.613 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 5.0 t -77.18 -46.42 28.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.153 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -59.39 -44.19 92.82 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.749 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 2.3 p -62.05 -42.59 99.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.801 0.334 . . . . 10.0 110.366 179.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 40.2 m -63.75 -39.45 94.3 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 109.693 -0.484 . . . . 10.0 109.693 178.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -62.12 -42.48 99.28 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 116.111 -0.495 . . . . 10.0 109.791 178.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 14.1 m -63.13 -44.89 94.3 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.956 -0.566 . . . . 10.0 110.128 179.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 45.1 mmtt -61.89 -43.27 99.18 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 115.946 -0.57 . . . . 10.0 109.849 178.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 217' ' ' LEU . . . . . 0.562 ' O ' ' HG ' ' A' ' 221' ' ' LEU . 21.0 mt -59.74 -43.23 94.34 Favored 'General case' 0 C--O 1.221 -0.408 0 CA-C-N 115.696 -0.684 . . . . 10.0 110.135 178.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 -65.44 -31.79 73.06 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.107 0.479 . . . . 10.0 110.918 179.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -69.37 -27.95 65.77 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 109.282 -0.636 . . . . 10.0 109.282 178.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -87.95 -34.98 17.91 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.448 -0.796 . . . . 10.0 109.756 179.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 221' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' A' ' 217' ' ' LEU . 30.6 mt -55.97 -36.49 67.9 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 115.749 -0.659 . . . . 10.0 111.747 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -54.42 -68.88 1.44 Allowed Glycine 0 C--N 1.335 0.504 0 N-CA-C 110.702 -0.959 . . . . 10.0 110.702 178.308 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -55.68 -39.92 88.3 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.514 2.143 . . . . 10.0 111.403 177.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 224' ' ' VAL . . . . . 0.426 ' O ' ' HB2' ' A' ' 228' ' ' PHE . 11.4 t -56.27 -54.02 32.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-N 116.564 -0.289 . . . . 10.0 111.669 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 11.7 p -64.77 -36.5 84.5 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.892 -0.323 . . . . 10.0 110.499 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -63.5 -51.0 67.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.639 179.206 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -66.86 -36.55 82.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.078 0.466 . . . . 10.0 110.231 179.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 228' ' ' PHE . . . . . 0.426 ' HB2' ' O ' ' A' ' 224' ' ' VAL . 3.4 t80 -66.66 -50.61 62.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.504 179.352 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -66.31 -34.77 78.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.056 -0.52 . . . . 10.0 111.079 179.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -61.43 -43.28 99.14 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.626 -0.509 . . . . 10.0 109.626 179.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 231' ' ' ASN . . . . . 0.618 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 85.6 m-20 -72.49 -35.58 68.21 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 115.731 -0.668 . . . . 10.0 110.106 178.64 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 41.5 mt -60.8 -38.59 85.88 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.378 -0.601 . . . . 10.0 109.378 178.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 233' ' ' GLU . . . . . 0.459 ' O ' ' HB2' ' A' ' 237' ' ' GLU . 6.7 mm-40 -65.14 -31.21 72.29 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.732 -0.667 . . . . 10.0 110.734 178.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 234' ' ' LYS . . . . . 0.618 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 74.4 mttt -72.29 -43.58 64.02 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.343 -0.614 . . . . 10.0 109.343 179.376 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 235' ' ' GLU . . . . . 0.505 ' HG3' ' ND2' ' D' ' 539' ' ' ASN . 43.7 mt-10 -63.95 -44.65 92.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.164 179.053 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 6.4 p -67.8 -40.18 83.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.709 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 237' ' ' GLU . . . . . 0.617 ' HA ' ' HD2' ' A' ' 240' ' ' ARG . 20.5 tt0 -59.96 -41.2 91.43 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 109.893 -0.41 . . . . 10.0 109.893 179.046 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -62.14 -45.18 96.59 Favored Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 110.186 -1.165 . . . . 10.0 110.186 177.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 239' ' ' LEU . . . . . 0.458 ' HA ' ' HB2' ' A' ' 242' ' ' GLU . 94.0 mt -65.95 -31.02 71.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.906 0.384 . . . . 10.0 110.491 179.137 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 240' ' ' ARG . . . . . 0.617 ' HD2' ' HA ' ' A' ' 237' ' ' GLU . 64.2 mtt180 -66.11 -38.93 89.42 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 109.601 -0.518 . . . . 10.0 109.601 178.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -74.81 -36.06 62.47 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.857 -0.794 . . . . 10.0 108.857 178.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 242' ' ' GLU . . . . . 0.458 ' HB2' ' HA ' ' A' ' 239' ' ' LEU . 21.3 mt-10 -65.04 -27.17 68.61 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.474 -0.785 . . . . 10.0 110.13 178.299 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 243' ' ' MET . . . . . 0.849 ' HG3' HD12 ' A' ' 247' ' ' LEU . 41.0 ttm -55.41 -34.2 64.18 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.362 179.208 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.99 -2.81 10.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.801 -0.636 . . . . 10.0 111.051 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 245' ' ' LYS . . . . . 0.775 ' HA ' ' HG3' ' A' ' 249' ' ' GLU . 58.0 mttm -130.55 -61.68 0.95 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.408 -0.36 . . . . 10.0 110.511 179.636 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 246' ' ' ASP . . . . . 0.673 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 20.6 t70 -54.75 -34.36 62.46 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.948 -178.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 247' ' ' LEU . . . . . 0.849 HD12 ' HG3' ' A' ' 243' ' ' MET . 96.3 mt -107.48 -44.04 4.39 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.454 -0.339 . . . . 10.0 111.837 -179.664 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -65.4 -42.04 93.0 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.651 0.612 . . . . 10.0 112.651 -179.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 249' ' ' GLU . . . . . 0.775 ' HG3' ' HA ' ' A' ' 245' ' ' LYS . 52.2 mt-10 -67.89 -36.86 80.97 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.793 -0.363 . . . . 10.0 110.229 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 250' ' ' VAL . . . . . 0.725 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 1.6 p -69.68 -20.84 23.98 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.388 0 CA-C-O 121.045 0.45 . . . . 10.0 110.439 179.434 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 23.0 mmtp -79.99 -42.5 23.76 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.077 -0.712 . . . . 10.0 109.077 178.049 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -73.11 -40.62 64.81 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.721 -0.672 . . . . 10.0 110.731 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -77.61 -19.67 55.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.077 -0.511 . . . . 10.0 111.675 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 254' ' ' VAL . . . . . 0.725 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.3 OUTLIER -61.25 -26.68 39.98 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.152 0 N-CA-C 109.989 -0.375 . . . . 10.0 109.989 179.466 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 255' ' ' GLN . . . . . 0.495 ' HB2' ' CD ' ' A' ' 256' ' ' PRO . 73.6 mt-30 -63.3 -66.25 1.64 Allowed Pre-proline 0 CA--C 1.536 0.413 0 CA-C-N 115.855 -0.612 . . . . 10.0 110.823 179.424 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 256' ' ' PRO . . . . . 0.495 ' CD ' ' HB2' ' A' ' 255' ' ' GLN . 19.2 Cg_endo -61.72 -32.53 86.57 Favored 'Trans proline' 0 C--N 1.357 1.014 0 C-N-CA 121.792 1.661 . . . . 10.0 111.849 179.494 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 5.3 m-30 -64.89 -53.63 43.47 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.451 -0.34 . . . . 10.0 110.649 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 64.3 mt -71.61 -36.3 70.75 Favored 'General case' 0 C--O 1.222 -0.393 0 CA-C-N 116.323 -0.399 . . . . 10.0 110.769 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -62.67 -42.23 99.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.686 0.279 . . . . 10.0 111.231 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -64.99 -44.74 88.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.037 0.446 . . . . 10.0 109.953 179.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -67.88 -42.4 81.29 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.655 -0.702 . . . . 10.0 110.794 179.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -62.56 -44.94 95.09 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.448 -0.342 . . . . 10.0 110.543 179.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 263' ' ' LYS . . . . . 0.473 ' O ' ' HG3' ' A' ' 267' ' ' GLU . 1.3 ttmp? -62.87 -44.41 96.18 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.742 -0.466 . . . . 10.0 109.742 179.513 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 264' ' ' LYS . . . . . 0.763 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 35.9 mttt -64.23 -38.47 91.16 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.792 -0.64 . . . . 10.0 109.974 178.734 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -66.15 -37.27 85.27 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.801 -0.636 . . . . 10.0 110.172 178.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -61.41 -44.97 96.22 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.857 -0.794 . . . . 10.0 108.857 178.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 267' ' ' GLU . . . . . 0.473 ' HG3' ' O ' ' A' ' 263' ' ' LYS . 52.8 mt-10 -64.93 -44.66 88.78 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.706 -0.679 . . . . 10.0 109.45 178.604 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -58.88 -51.31 70.56 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.745 -0.661 . . . . 10.0 110.966 179.293 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 28.8 mmm -62.42 -43.36 98.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.888 -0.597 . . . . 10.0 111.354 -179.373 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -63.64 -45.51 89.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.397 -0.365 . . . . 10.0 110.374 178.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 52.1 mt -61.87 -37.36 84.26 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-O 121.045 0.45 . . . . 10.0 110.163 178.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -64.93 -38.26 90.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 10.0 109.956 178.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 273' ' ' ARG . . . . . 0.619 ' HA ' HG12 ' A' ' 276' ' ' VAL . 78.7 mtt180 -70.7 -41.98 71.25 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.276 0.56 . . . . 10.0 110.07 179.134 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -64.63 -19.59 65.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.167 -0.924 . . . . 10.0 110.079 179.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 275' ' ' LYS . . . . . 0.687 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 12.8 mptt -98.35 -46.58 5.74 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.993 -0.548 . . . . 10.0 110.552 179.387 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 276' ' ' VAL . . . . . 0.619 HG12 ' HA ' ' A' ' 273' ' ' ARG . 3.9 p -54.93 -31.51 24.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 112.768 0.655 . . . . 10.0 112.768 -178.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -66.06 -63.88 2.84 Favored Pre-proline 0 CA--C 1.536 0.417 0 N-CA-C 111.641 0.237 . . . . 10.0 111.641 179.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -64.18 -36.13 48.64 Favored 'Trans proline' 0 C--N 1.356 0.931 0 C-N-CA 121.849 1.699 . . . . 10.0 112.435 178.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 279' ' ' LEU . . . . . 0.848 HD22 ' HE3' ' D' ' 495' ' ' LYS . 19.2 mt -63.18 -36.17 82.74 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-O 120.749 0.309 . . . . 10.0 110.202 179.684 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -64.81 -34.96 79.59 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 116.181 -0.463 . . . . 10.0 109.83 179.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -62.25 -47.14 85.68 Favored 'General case' 0 C--N 1.332 -0.168 0 O-C-N 123.279 0.362 . . . . 10.0 110.184 179.312 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -62.9 -39.9 95.91 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.7 -0.682 . . . . 10.0 110.19 179.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 84.6 mt -70.45 -38.86 74.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.922 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -67.92 -55.48 12.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.343 -0.389 . . . . 10.0 110.549 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -62.65 -38.21 89.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.923 -0.581 . . . . 10.0 110.92 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -66.18 -45.99 82.87 Favored Glycine 0 N--CA 1.444 -0.788 0 N-CA-C 111.093 -0.803 . . . . 10.0 111.093 178.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -61.43 -38.57 87.65 Favored 'General case' 0 CA--C 1.517 -0.318 0 N-CA-C 110.354 -0.239 . . . . 10.0 110.354 179.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 65.5 mtt180 -55.78 -50.03 71.56 Favored 'General case' 0 CA--C 1.52 -0.18 0 O-C-N 123.575 0.547 . . . . 10.0 110.411 179.11 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 4.2 tm0? -66.38 -45.53 79.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.965 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -60.46 -44.65 95.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.345 -0.389 . . . . 10.0 111.062 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 68.1 mt -65.15 -39.06 92.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 10.0 109.873 178.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -64.52 -44.45 90.86 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 115.893 -0.594 . . . . 10.0 109.767 178.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.73 -42.66 84.31 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 121.41 0.624 . . . . 10.0 109.619 178.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 95.6 mt -66.28 -43.92 85.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.53 -0.759 . . . . 10.0 110.123 178.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -63.13 -34.6 77.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.207 -0.451 . . . . 10.0 110.915 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -65.07 -11.53 40.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.934 -0.576 . . . . 10.0 110.924 179.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . 0.507 ' O ' ' HB2' ' A' ' 301' ' ' LEU . 29.2 mmtp -114.64 -38.55 3.97 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.321 178.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 298' ' ' LEU . . . . . 0.51 ' O ' ' HA3' ' A' ' 302' ' ' GLY . 61.4 mt -59.2 -28.59 66.79 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.72 0.637 . . . . 10.0 112.72 -179.409 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 299' ' ' SER . . . . . . . . . . . . . 20.1 m -84.21 -63.02 0.25 Allowed Pre-proline 0 CA--C 1.539 0.539 0 N-CA-C 112.853 0.686 . . . . 10.0 112.853 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 300' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -64.13 -50.02 3.25 Favored 'Trans proline' 0 C--N 1.355 0.883 0 C-N-CA 121.468 1.445 . . . . 10.0 111.834 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 301' ' ' LEU . . . . . 0.664 HD13 ' HG2' ' D' ' 473' ' ' LYS . 95.7 mt -72.77 -25.51 61.2 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.95 -0.389 . . . . 10.0 109.95 179.743 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 302' ' ' GLY . . . . . 0.51 ' HA3' ' O ' ' A' ' 298' ' ' LEU . . . -67.53 -46.75 66.94 Favored Glycine 0 N--CA 1.448 -0.546 0 N-CA-C 110.135 -1.186 . . . . 10.0 110.135 178.29 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -68.63 -34.19 75.31 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.633 -0.506 . . . . 10.0 109.633 178.08 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -65.66 -36.0 82.41 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.831 -0.803 . . . . 10.0 108.831 178.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 15.3 tpt -63.55 -41.09 98.45 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 108.803 -0.814 . . . . 10.0 108.803 178.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 306' ' ' ARG . . . . . 0.45 ' HG3' ' O ' ' A' ' 302' ' ' GLY . 72.4 mtt180 -68.53 -40.03 80.9 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.416 -0.811 . . . . 10.0 109.329 179.107 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -59.26 -45.18 91.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.419 -0.809 . . . . 10.0 109.633 178.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 308' ' ' ARG . . . . . 0.69 ' HG3' HD11 ' D' ' 469' ' ' LEU . 21.4 mmt180 -72.31 -33.14 67.15 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.495 -0.775 . . . . 10.0 110.354 178.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 309' ' ' ALA . . . . . 0.553 ' HA ' ' HB2' ' A' ' 312' ' ' HIS . . . -65.96 -32.65 74.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.063 -0.517 . . . . 10.0 109.721 178.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 310' ' ' ARG . . . . . 0.497 ' O ' ' HB2' ' A' ' 314' ' ' ASP . 97.1 mtt180 -58.75 -54.99 40.87 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 108.68 -0.859 . . . . 10.0 108.68 177.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -63.58 -38.39 90.93 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 115.762 -0.654 . . . . 10.0 109.997 179.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 312' ' ' HIS . . . . . 0.553 ' HB2' ' HA ' ' A' ' 309' ' ' ALA . 0.1 OUTLIER -52.55 -54.7 29.26 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 115.827 -0.624 . . . . 10.0 110.079 178.941 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 47.6 t -76.34 -36.93 30.45 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 CA-C-N 115.775 -0.648 . . . . 10.0 111.753 -179.368 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 314' ' ' ASP . . . . . 0.497 ' HB2' ' O ' ' A' ' 310' ' ' ARG . 0.4 OUTLIER -61.23 -46.5 90.13 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.842 0.353 . . . . 10.0 111.014 -179.661 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -65.35 -32.01 73.43 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.546 -0.539 . . . . 10.0 109.546 178.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 12.0 mt -67.69 -49.01 64.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.589 -0.732 . . . . 10.0 109.31 178.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 317' ' ' ARG . . . . . 0.438 HH11 ' HD2' ' A' ' 317' ' ' ARG . 35.2 ttm105 -60.58 -40.28 91.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.063 179.216 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 86.4 m -61.1 -30.38 70.32 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.489 -0.778 . . . . 10.0 110.729 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 27.5 m80 -91.25 -36.12 14.08 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.362 -0.381 . . . . 10.0 110.42 179.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 35.4 mt -63.58 -37.14 86.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.847 -0.615 . . . . 10.0 112.506 -179.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 321' ' ' ALA . . . . . 0.408 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -53.52 -60.07 7.95 Favored Pre-proline 0 CA--C 1.536 0.435 0 N-CA-C 111.829 0.307 . . . . 10.0 111.829 179.408 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 322' ' ' PRO . . . . . 0.408 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 31.7 Cg_endo -67.54 -32.88 30.38 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 121.631 1.554 . . . . 10.0 111.179 178.225 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 323' ' ' TYR . . . . . 0.518 ' O ' ' HB2' ' A' ' 327' ' ' LEU . 4.7 m-30 -61.29 -46.48 90.14 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-N 116.569 -0.287 . . . . 10.0 110.874 179.567 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 324' ' ' SER . . . . . 0.416 ' O ' ' HG3' ' A' ' 328' ' ' ARG . 12.8 p -71.74 -34.17 69.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.065 0.459 . . . . 10.0 109.924 179.327 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -60.5 -51.68 68.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.769 -0.65 . . . . 10.0 109.384 178.436 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -69.44 -27.96 65.7 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.892 -0.595 . . . . 10.0 109.816 178.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . 0.518 ' HB2' ' O ' ' A' ' 323' ' ' TYR . 0.5 OUTLIER -65.22 -38.37 90.18 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.341 -0.614 . . . . 10.0 109.341 178.541 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 328' ' ' ARG . . . . . 0.416 ' HG3' ' O ' ' A' ' 324' ' ' SER . 63.6 mtt180 -65.18 -35.77 82.11 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.369 -0.604 . . . . 10.0 109.369 178.343 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -67.58 -42.36 82.65 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 108.249 -1.019 . . . . 10.0 108.249 178.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 330' ' ' ARG . . . . . 0.651 HH21 ' HB3' ' D' ' 447' ' ' GLU . 22.3 mtt-85 -63.1 -46.37 87.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.311 -0.858 . . . . 10.0 110.071 179.127 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 89.3 mt -56.72 -43.31 80.47 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.646 -0.501 . . . . 10.0 109.646 179.038 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -65.24 -46.46 80.48 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.644 -0.707 . . . . 10.0 110.251 179.003 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -59.83 -42.71 94.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.953 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 334' ' ' ARG . . . . . 0.559 ' HD2' ' OE1' ' D' ' 440' ' ' GLU . 8.7 mmt180 -67.75 -48.48 66.29 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.038 179.462 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 56.1 mt -63.45 -39.3 94.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.86 -0.609 . . . . 10.0 112.275 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -60.15 -49.51 77.35 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 120.907 0.384 . . . . 10.0 110.266 179.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -65.48 -45.56 83.19 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.806 -0.634 . . . . 10.0 110.238 179.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 23.7 mt -64.23 -23.5 67.33 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.2 -0.454 . . . . 10.0 112.104 179.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -85.71 -47.95 9.3 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 122.058 -0.401 . . . . 10.0 110.7 179.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.01 -41.61 97.41 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.044 0.449 . . . . 10.0 109.875 179.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -75.95 -35.72 59.59 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.823 -0.806 . . . . 10.0 108.823 178.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -61.45 -44.38 98.09 Favored Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 115.648 -0.706 . . . . 10.0 111.544 179.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -61.75 -36.57 92.92 Favored Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 110.482 -1.047 . . . . 10.0 110.482 178.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -66.59 -43.81 83.87 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 109.322 -0.621 . . . . 10.0 109.322 178.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 345' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 345' ' ' ARG . 16.5 mtm180 -62.83 -44.07 97.12 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.27 179.1 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 346' ' ' LEU . . . . . 0.483 ' O ' ' HB2' ' A' ' 350' ' ' HIS . 56.1 mt -60.74 -43.37 98.02 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.791 179.479 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -66.87 -36.68 82.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.196 0.522 . . . . 10.0 109.863 178.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 348' ' ' GLU . . . . . 0.487 ' O ' ' HG3' ' A' ' 352' ' ' LYS . 8.1 mt-10 -66.38 -52.78 43.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.67 -0.695 . . . . 10.0 110.012 178.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -63.69 -29.54 70.76 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.035 -0.53 . . . . 10.0 111.012 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 350' ' ' HIS . . . . . 0.483 ' HB2' ' O ' ' A' ' 346' ' ' LEU . 0.3 OUTLIER -65.88 -44.3 85.72 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.39 -0.967 . . . . 10.0 108.39 178.102 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -67.78 -43.63 79.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.394 -0.821 . . . . 10.0 109.847 179.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 352' ' ' LYS . . . . . 0.487 ' HG3' ' O ' ' A' ' 348' ' ' GLU . 28.1 mttm -59.49 -42.23 91.67 Favored 'General case' 0 C--O 1.225 -0.201 0 CA-C-N 115.813 -0.631 . . . . 10.0 110.026 178.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -60.01 -41.12 91.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.857 -0.61 . . . . 10.0 110.016 178.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 7.8 m -63.39 -41.97 98.79 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.187 -0.46 . . . . 10.0 109.941 178.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -68.65 -33.17 73.53 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.546 179.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 10.3 m-70 -72.43 -32.04 65.99 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 109.148 -0.686 . . . . 10.0 109.148 178.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 33.2 mt -72.08 -38.49 69.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.017 -0.538 . . . . 10.0 111.211 179.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.19 -47.04 78.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.952 0.406 . . . . 10.0 110.079 179.162 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 7.5 p -69.47 -29.27 66.91 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.945 -0.571 . . . . 10.0 109.693 179.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 360' ' ' LEU . . . . . 0.469 ' HA ' ' HE3' ' A' ' 363' ' ' LYS . 51.6 tp -68.54 -32.98 73.31 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 108.788 -0.819 . . . . 10.0 108.788 178.132 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 50.9 m -65.72 -32.0 73.3 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.783 -0.644 . . . . 10.0 109.782 179.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -68.22 -19.56 64.76 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.694 0.759 . . . . 10.0 109.513 178.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 363' ' ' LYS . . . . . 0.729 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 51.7 mtmt -99.32 -32.28 11.26 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.487 -0.779 . . . . 10.0 110.018 178.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -75.44 -29.07 59.58 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.851 -0.613 . . . . 10.0 112.057 -179.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 365' ' ' LYS . . . . . 0.979 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 66.9 mttt -106.67 -73.44 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.436 0 N-CA-C 112.521 0.563 . . . . 10.0 112.521 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 366' ' ' PRO . . . . . 0.979 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 51.8 Cg_exo -58.31 -53.27 4.31 Favored 'Trans proline' 0 C--N 1.36 1.177 0 C-N-CA 122.22 1.947 . . . . 10.0 113.02 -179.531 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 367' ' ' ALA . . . . . 0.729 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -63.3 -50.21 70.96 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.242 0.46 . . . . 10.0 112.242 -179.582 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 368' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 368' ' ' LEU . 7.8 mt -61.0 -40.79 94.86 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.706 0.261 . . . . 10.0 111.706 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -66.81 -41.83 86.91 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.858 -0.423 . . . . 10.0 109.858 179.114 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -60.55 -45.79 92.57 Favored 'General case' 0 C--O 1.232 0.143 0 N-CA-C 109.197 -0.668 . . . . 10.0 109.197 178.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 91.7 mt -63.1 -40.91 99.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.563 -0.744 . . . . 10.0 109.955 178.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 86.0 mtt180 -61.63 -47.17 86.61 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.48 178.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 373' ' ' GLN . . . . . 0.468 ' HA ' HD12 ' A' ' 376' ' ' LEU . 84.8 mt-30 -64.75 -33.73 76.65 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.68 -0.691 . . . . 10.0 110.36 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -73.65 -34.2 57.06 Favored Glycine 0 N--CA 1.447 -0.581 0 N-CA-C 111.022 -0.831 . . . . 10.0 111.022 178.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 375' ' ' LEU . . . . . 0.496 ' O ' ' HG ' ' A' ' 379' ' ' LEU . 61.8 mt -70.55 -28.8 65.2 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 115.791 -0.204 . . . . 10.0 111.328 179.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 376' ' ' LEU . . . . . 0.468 HD12 ' HA ' ' A' ' 373' ' ' GLN . 77.8 mt -49.24 -62.56 2.31 Favored Pre-proline 0 CA--C 1.534 0.356 0 N-CA-C 112.352 0.501 . . . . 10.0 112.352 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 377' ' ' PRO . . . . . 0.446 ' HD3' ' HB2' ' A' ' 376' ' ' LEU . 54.7 Cg_endo -71.38 -25.91 21.08 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 121.575 1.516 . . . . 10.0 111.313 179.05 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 378' ' ' VAL . . . . . 0.467 ' HB ' ' HA ' ' A' ' 375' ' ' LEU . 4.3 t -63.04 -44.36 99.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 109.618 -0.512 . . . . 10.0 109.618 179.101 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 379' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 375' ' ' LEU . 67.8 mt -66.54 -32.59 74.03 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.381 -0.6 . . . . 10.0 109.381 178.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 380' ' ' GLU . . . . . 0.473 ' O ' HG23 ' A' ' 384' ' ' VAL . 40.3 mm-40 -63.59 -48.95 75.31 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.969 -0.56 . . . . 10.0 109.515 178.529 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.31 -32.62 73.39 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 110.033 -0.358 . . . . 10.0 110.033 178.64 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -66.75 -42.97 85.32 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-N 116.186 -0.461 . . . . 10.0 109.999 178.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 383' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 379' ' ' LEU . 87.7 mttt -61.32 -47.82 84.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.14 179.122 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 384' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 380' ' ' GLU . 56.1 t -59.06 -43.54 89.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.764 -0.653 . . . . 10.0 111.235 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 4.8 p -73.18 -40.93 64.41 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.164 0.431 . . . . 10.0 112.164 -179.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -64.54 -45.84 85.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.607 -0.27 . . . . 10.0 111.169 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 387' ' ' LEU . . . . . 0.467 ' O ' ' HG3' ' A' ' 391' ' ' GLU . 95.1 mt -60.71 -51.61 68.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.3 -0.409 . . . . 10.0 111.388 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 388' ' ' SER . . . . . 0.595 ' HB2' ' HE2' ' D' ' 594' ' ' LYS . 5.6 p -60.38 -40.67 91.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.299 -0.41 . . . . 10.0 111.098 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -61.07 -44.41 97.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.817 0.341 . . . . 10.0 110.532 179.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 74.0 mt -59.65 -41.15 89.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.481 . . . . 10.0 109.987 179.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 391' ' ' GLU . . . . . 0.467 ' HG3' ' O ' ' A' ' 387' ' ' LEU . 8.9 mt-10 -67.14 -41.16 86.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.103 -0.498 . . . . 10.0 109.884 179.032 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -57.67 -50.29 73.67 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 115.955 -0.566 . . . . 10.0 111.199 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -61.44 -44.28 97.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.747 -0.661 . . . . 10.0 110.759 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 50.7 m -65.41 -38.32 89.57 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.111 -0.495 . . . . 10.0 112.043 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 46.2 mtmt -66.79 -35.23 79.59 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.731 0.641 . . . . 10.0 112.731 -179.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 396' ' ' LYS . . . . . 0.559 ' HG2' ' HB2' ' D' ' 587' ' ' ALA . 0.6 OUTLIER -97.09 -44.58 6.91 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 113.934 1.087 . . . . 10.0 113.934 -177.898 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 83.1 mt -76.51 -23.73 53.72 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.667 0.618 . . . . 10.0 112.667 -178.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 45.3 t30 . . . . . 0 C--N 1.324 -0.536 0 CA-C-O 120.885 0.374 . . . . 10.0 111.291 -179.125 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' D' D ' 399' ' ' LEU . . . . . 0.422 HD13 ' HA ' ' D' ' 399' ' ' LEU . 3.9 mm? . . . . . 0 CA--C 1.522 -0.116 0 CA-C-O 121.202 0.525 . . . . 10.0 110.752 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.85 30.94 5.87 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.76 -0.655 . . . . 10.0 109.961 179.532 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 401' ' ' LEU . . . . . 0.424 ' HG ' ' H ' ' D' ' 401' ' ' LEU . 4.3 mt -58.69 -49.07 78.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.247 -0.888 . . . . 10.0 110.283 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 71.0 mt -64.05 -33.75 76.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.376 -0.829 . . . . 10.0 110.943 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.87 -51.25 63.03 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.94 -0.573 . . . . 10.0 109.611 179.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 404' ' ' ASN . . . . . 0.454 ' O ' HG23 ' D' ' 408' ' ' VAL . 27.6 t-20 -63.9 -40.74 97.22 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-O 120.979 0.419 . . . . 10.0 110.318 179.294 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 1.6 m95 -59.73 -39.13 83.68 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.099 178.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -60.98 -46.69 89.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.769 -0.65 . . . . 10.0 110.401 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 1.5 m -60.73 -44.83 96.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.745 -0.661 . . . . 10.0 110.194 179.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 408' ' ' VAL . . . . . 0.454 HG23 ' O ' ' D' ' 404' ' ' ASN . 62.9 t -64.05 -41.81 93.66 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.478 179.523 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 33.9 m -61.78 -38.26 87.38 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 109.656 -0.498 . . . . 10.0 109.656 178.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 35.4 m -64.64 -40.53 95.61 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 109.286 -0.635 . . . . 10.0 109.286 178.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 411' ' ' THR . . . . . 0.568 HG23 ' HD3' ' A' ' 363' ' ' LYS . 11.0 m -63.12 -43.69 97.7 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 109.693 -0.484 . . . . 10.0 109.693 178.324 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -60.48 -38.8 85.43 Favored 'General case' 0 C--O 1.232 0.155 0 N-CA-C 109.595 -0.521 . . . . 10.0 109.595 178.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 413' ' ' SER . . . . . 0.533 ' O ' ' HG3' ' D' ' 417' ' ' GLU . 36.5 m -63.69 -46.11 87.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.669 -0.696 . . . . 10.0 109.643 178.698 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 414' ' ' LYS . . . . . 0.488 ' HD3' ' HA ' ' D' ' 414' ' ' LYS . 37.2 mmtt -60.16 -35.02 74.41 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.378 179.239 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 75.0 mt -66.92 -40.7 87.71 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.033 178.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 61.3 mtt180 -66.71 -36.17 81.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.134 -0.484 . . . . 10.0 110.633 179.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 417' ' ' GLU . . . . . 0.533 ' HG3' ' O ' ' D' ' 413' ' ' SER . 44.9 mt-10 -66.17 -18.66 65.49 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 115.786 -0.643 . . . . 10.0 110.185 178.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -94.95 -50.39 5.13 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 115.716 -0.675 . . . . 10.0 109.481 178.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 78.8 mt -46.65 -43.82 17.89 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.523 -0.762 . . . . 10.0 112.305 -179.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -55.39 -72.04 0.63 Allowed Glycine 0 CA--C 1.519 0.302 0 C-N-CA 121.203 -0.522 . . . . 10.0 112.273 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 421' ' ' PRO . . . . . 0.538 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 52.8 Cg_exo -57.58 -39.07 91.22 Favored 'Trans proline' 0 CA--C 1.533 0.455 0 C-N-CA 122.783 2.322 . . . . 10.0 112.294 178.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 8.7 t -57.55 -50.44 77.21 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.32 0 N-CA-C 112.177 0.436 . . . . 10.0 112.177 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 8.1 p -63.74 -35.36 80.31 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.796 -0.361 . . . . 10.0 111.382 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -60.77 -54.04 50.0 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.88 -0.415 . . . . 10.0 109.88 179.114 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 425' ' ' GLU . . . . . 0.538 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 10.9 pt-20 -73.24 -28.78 62.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.046 -0.525 . . . . 10.0 111.586 -179.444 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 426' ' ' PHE . . . . . 0.411 ' O ' ' HG ' ' D' ' 430' ' ' LEU . 31.4 t80 -66.66 -43.91 83.28 Favored 'General case' 0 CA--C 1.519 -0.228 0 N-CA-C 109.375 -0.602 . . . . 10.0 109.375 178.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 427' ' ' TRP . . . . . 0.531 ' O ' ' HG3' ' D' ' 431' ' ' GLU . 23.2 m0 -65.4 -38.67 90.67 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 108.899 -0.778 . . . . 10.0 108.899 177.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -65.61 -35.38 80.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.453 -0.794 . . . . 10.0 109.597 178.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 24.0 t30 -70.92 -41.91 70.59 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 108.647 -0.872 . . . . 10.0 108.647 178.016 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 430' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' D' ' 426' ' ' PHE . 61.6 mt -59.17 -35.69 74.0 Favored 'General case' 0 C--O 1.218 -0.569 0 CA-C-N 115.073 -0.967 . . . . 10.0 110.593 179.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 431' ' ' GLU . . . . . 0.531 ' HG3' ' O ' ' D' ' 427' ' ' TRP . 46.5 mt-10 -62.89 -38.49 91.11 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.325 0.583 . . . . 10.0 109.978 178.563 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 49.2 mttp -68.26 -34.57 76.44 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.718 -0.674 . . . . 10.0 109.761 179.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -78.91 -44.36 22.83 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.762 -0.653 . . . . 10.0 111.637 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 20.5 p -62.83 -57.2 11.7 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 121.187 -0.205 . . . . 10.0 110.487 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 435' ' ' GLU . . . . . 0.546 ' O ' ' HG3' ' D' ' 439' ' ' GLN . 39.0 mm-40 -67.01 -37.23 83.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.32 -0.4 . . . . 10.0 111.242 179.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -61.96 -51.71 55.2 Favored Glycine 0 N--CA 1.451 -0.345 0 N-CA-C 111.101 -0.8 . . . . 10.0 111.101 179.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 92.8 mt -64.87 -24.76 67.63 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 110.143 -0.317 . . . . 10.0 110.143 178.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 68.3 mtt180 -72.4 -28.88 63.26 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 110.374 -0.232 . . . . 10.0 110.374 178.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 439' ' ' GLN . . . . . 0.546 ' HG3' ' O ' ' D' ' 435' ' ' GLU . 78.7 mt-30 -68.54 -29.77 68.41 Favored 'General case' 0 CA--C 1.519 -0.224 0 N-CA-C 108.399 -0.963 . . . . 10.0 108.399 178.071 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 440' ' ' GLU . . . . . 0.559 ' OE1' ' HD2' ' A' ' 334' ' ' ARG . 34.6 mt-10 -83.01 -46.98 12.21 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 114.563 -1.199 . . . . 10.0 109.253 178.493 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.17 -43.7 87.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.115 -0.948 . . . . 10.0 112.667 -179.174 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 3.6 p -57.61 -49.0 77.86 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.974 0.416 . . . . 10.0 110.931 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -68.25 -41.05 81.73 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.913 179.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 444' ' ' ASP . . . . . 0.671 ' O ' ' HB ' ' D' ' 448' ' ' VAL . 28.0 t0 -59.85 -47.02 87.43 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.743 -0.466 . . . . 10.0 109.743 179.374 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 445' ' ' LEU . . . . . 0.439 ' O ' HG12 ' D' ' 448' ' ' VAL . 92.0 mt -67.77 -50.55 56.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.131 -0.486 . . . . 10.0 111.821 179.649 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -58.06 -46.81 84.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.717 0.294 . . . . 10.0 111.348 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 447' ' ' GLU . . . . . 0.651 ' HB3' HH21 ' A' ' 330' ' ' ARG . 15.8 tt0 -72.28 -31.99 66.22 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.488 -0.324 . . . . 10.0 110.969 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 448' ' ' VAL . . . . . 0.671 ' HB ' ' O ' ' D' ' 444' ' ' ASP . 0.3 OUTLIER -65.82 -30.53 50.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 C-N-CA 120.58 -0.448 . . . . 10.0 109.837 179.223 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' D' D ' 449' ' ' LYS . . . . . 0.494 ' O ' ' HG3' ' D' ' 453' ' ' GLN . 94.9 mttt -63.66 -39.11 93.52 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 108.835 -0.802 . . . . 10.0 108.835 178.151 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -88.94 9.5 24.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.68 -0.691 . . . . 10.0 110.734 179.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 451' ' ' LYS . . . . . 0.65 ' O ' ' HB2' ' D' ' 455' ' ' TYR . 54.6 mttm -115.83 -39.94 3.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 10.0 111.03 179.298 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 77.6 t -69.4 -39.26 78.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.557 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 453' ' ' GLN . . . . . 0.494 ' HG3' ' O ' ' D' ' 449' ' ' LYS . 69.4 mt-30 -58.68 -57.91 23.19 Favored Pre-proline 0 CA--C 1.534 0.362 0 N-CA-C 112.037 0.384 . . . . 10.0 112.037 179.533 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -63.99 -28.13 66.31 Favored 'Trans proline' 0 C--N 1.356 0.96 0 C-N-CA 121.757 1.638 . . . . 10.0 110.981 178.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 455' ' ' TYR . . . . . 0.65 ' HB2' ' O ' ' D' ' 451' ' ' LYS . 0.3 OUTLIER -66.58 -43.93 83.61 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 108.3 -1.0 . . . . 10.0 108.3 178.543 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 71.0 mt -67.5 -42.32 83.06 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-N 115.784 -0.644 . . . . 10.0 109.316 178.494 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -59.59 -52.88 63.65 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.835 179.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -62.56 -41.15 98.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.714 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 459' ' ' PHE . . . . . 0.47 ' HD2' ' HA ' ' D' ' 459' ' ' PHE . 0.8 OUTLIER -65.98 -44.74 84.02 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.111 179.157 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -59.41 -41.14 88.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.465 -0.334 . . . . 10.0 110.491 179.028 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 461' ' ' LYS . . . . . 0.551 ' O ' ' HG3' ' D' ' 465' ' ' GLU . 69.4 mttt -62.1 -41.09 97.85 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.54 -0.541 . . . . 10.0 109.54 178.455 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 462' ' ' LYS . . . . . 0.42 ' HG2' ' CE1' ' A' ' 312' ' ' HIS . 1.3 mtmm -69.24 -41.61 76.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.472 -0.785 . . . . 10.0 110.372 178.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 33.1 m0 -65.03 -37.47 87.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.042 0.448 . . . . 10.0 109.835 178.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -62.05 -44.45 96.66 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.689 -0.856 . . . . 10.0 108.689 178.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 465' ' ' GLU . . . . . 0.629 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 48.4 mt-10 -57.84 -54.55 45.66 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 108.899 -0.778 . . . . 10.0 108.899 178.524 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -55.2 -49.58 71.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.792 -0.64 . . . . 10.0 111.584 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 71.7 mtm -62.67 -46.06 89.94 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 111.908 0.336 . . . . 10.0 111.908 -179.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -66.12 -33.66 76.28 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.855 0.359 . . . . 10.0 110.362 179.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 469' ' ' LEU . . . . . 0.69 HD11 ' HG3' ' A' ' 308' ' ' ARG . 31.5 mt -70.83 -38.39 73.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 10.0 109.806 178.701 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 7.1 m-30 -61.04 -36.89 80.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.227 0.536 . . . . 10.0 109.656 178.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 471' ' ' ARG . . . . . 0.722 ' HA ' ' HG3' ' D' ' 475' ' ' GLU . 65.1 mtt180 -76.52 -4.19 41.42 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.713 -0.676 . . . . 10.0 111.018 179.291 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -118.21 -3.77 11.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.975 0.417 . . . . 10.0 110.49 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 473' ' ' LYS . . . . . 0.664 ' HG2' HD13 ' A' ' 301' ' ' LEU . 44.3 mttp -127.42 -65.35 0.94 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.554 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 26.2 t -61.16 -41.16 88.37 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.31 0 CA-C-N 116.378 -0.374 . . . . 10.0 111.738 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 475' ' ' GLU . . . . . 0.722 ' HG3' ' HA ' ' D' ' 471' ' ' ARG . 7.5 mm-40 -62.11 -56.31 32.56 Favored Pre-proline 0 CA--C 1.535 0.385 0 N-CA-C 111.502 0.186 . . . . 10.0 111.502 179.118 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 476' ' ' PRO . . . . . 0.711 ' HD3' ' HB2' ' D' ' 475' ' ' GLU . 54.4 Cg_exo -59.52 -38.91 80.02 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 121.745 1.63 . . . . 10.0 110.514 177.346 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 38.2 mt -65.69 -27.18 68.16 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.167 178.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 478' ' ' ARG . . . . . 0.637 ' O ' ' HB2' ' D' ' 482' ' ' GLN . 16.4 mtt-85 -62.91 -36.88 84.84 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 108.435 -0.95 . . . . 10.0 108.435 178.053 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -76.32 -41.94 46.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.36 -0.836 . . . . 10.0 109.823 178.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.35 -44.04 97.86 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.347 0.594 . . . . 10.0 109.701 178.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 93.2 mt -74.39 -28.27 61.02 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.815 -0.629 . . . . 10.0 110.476 179.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 482' ' ' GLN . . . . . 0.637 ' HB2' ' O ' ' D' ' 478' ' ' ARG . 5.9 tt0 -68.94 -49.23 59.83 Favored 'General case' 0 CA--C 1.521 -0.162 0 N-CA-C 109.475 -0.565 . . . . 10.0 109.475 179.185 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.83 -41.03 96.06 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 109.401 -0.592 . . . . 10.0 109.401 178.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -63.77 -40.16 98.19 Favored Glycine 0 N--CA 1.449 -0.481 0 N-CA-C 111.007 -0.837 . . . . 10.0 111.007 178.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -68.9 -36.39 77.99 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 110.054 -0.35 . . . . 10.0 110.054 179.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 77.4 mtt180 -65.29 -45.97 82.27 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.12 -0.696 . . . . 10.0 109.12 178.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 487' ' ' GLN . . . . . 0.471 ' O ' ' HG3' ' D' ' 491' ' ' GLU . 4.7 mm-40 -64.41 -38.43 91.01 Favored 'General case' 0 C--O 1.224 -0.238 0 N-CA-C 108.805 -0.813 . . . . 10.0 108.805 178.029 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 54.2 tttt -63.35 -42.02 98.89 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.734 -0.666 . . . . 10.0 109.632 178.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 36.1 mt -66.44 -37.06 84.33 Favored 'General case' 0 C--O 1.224 -0.276 0 N-CA-C 109.238 -0.652 . . . . 10.0 109.238 178.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 -65.73 -42.68 90.75 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 108.948 -0.76 . . . . 10.0 108.948 178.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 491' ' ' GLU . . . . . 0.471 ' HG3' ' O ' ' D' ' 487' ' ' GLN . 84.9 mt-10 -57.09 -47.2 81.63 Favored 'General case' 0 CA--C 1.521 -0.173 0 N-CA-C 108.365 -0.976 . . . . 10.0 108.365 177.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 492' ' ' LEU . . . . . 0.418 ' O ' ' HG ' ' D' ' 496' ' ' LEU . 59.6 mt -64.15 -43.53 94.92 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 115.392 -0.822 . . . . 10.0 110.556 179.285 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -55.71 -37.51 68.48 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.968 0.413 . . . . 10.0 110.831 179.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -72.02 0.97 8.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.96 -0.564 . . . . 10.0 111.546 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 495' ' ' LYS . . . . . 0.848 ' HE3' HD22 ' A' ' 279' ' ' LEU . 9.8 mttp -125.66 -28.24 3.29 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.717 178.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 496' ' ' LEU . . . . . 0.519 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 73.9 mt -64.14 -37.9 89.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.008 -0.542 . . . . 10.0 111.357 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 497' ' ' SER . . . . . 0.76 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 1.8 m -81.9 -60.61 0.39 Allowed Pre-proline 0 C--N 1.32 -0.703 0 C-N-CA 120.731 -0.387 . . . . 10.0 111.065 178.646 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 498' ' ' PRO . . . . . 0.76 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 44.3 Cg_exo -59.37 -65.4 0.08 OUTLIER 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 122.305 2.004 . . . . 10.0 112.696 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 499' ' ' LEU . . . . . 0.425 ' HB2' ' O ' ' D' ' 495' ' ' LYS . 12.4 mt -66.61 -36.09 81.76 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.651 -0.249 . . . . 10.0 111.19 -179.417 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 500' ' ' GLY . . . . . 0.519 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -58.66 -53.71 43.87 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.84 -0.695 . . . . 10.0 111.785 179.389 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -69.25 -27.49 65.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.823 0.344 . . . . 10.0 110.545 179.261 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 502' ' ' GLU . . . . . 0.481 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 33.4 tt0 -67.64 -42.44 82.26 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 108.678 -0.86 . . . . 10.0 108.678 177.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 87.9 mmm -63.26 -37.2 86.31 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 109.29 -0.633 . . . . 10.0 109.29 178.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 504' ' ' ARG . . . . . 0.487 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 91.5 mtt180 -63.82 -41.44 97.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.791 -0.64 . . . . 10.0 109.541 178.311 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -63.86 -41.15 97.84 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.505 -0.554 . . . . 10.0 109.505 178.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 506' ' ' ARG . . . . . 0.481 ' HG3' ' O ' ' D' ' 502' ' ' GLU . 60.5 mtt180 -61.4 -42.64 99.05 Favored 'General case' 0 CA--C 1.52 -0.202 0 N-CA-C 108.303 -0.999 . . . . 10.0 108.303 177.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -59.82 -41.52 91.48 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.711 -0.677 . . . . 10.0 109.594 178.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 508' ' ' ARG . . . . . 0.487 ' HG3' ' O ' ' D' ' 504' ' ' ARG . 75.9 mtt180 -60.6 -44.86 95.79 Favored 'General case' 0 C--O 1.223 -0.313 0 N-CA-C 109.154 -0.684 . . . . 10.0 109.154 178.259 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 509' ' ' ALA . . . . . 0.763 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -63.29 -34.9 78.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.849 -0.614 . . . . 10.0 110.678 179.492 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 510' ' ' HIS . . . . . 0.517 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 29.5 m-70 -73.94 -49.88 22.61 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.706 179.208 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 511' ' ' VAL . . . . . 0.479 ' O ' ' HG3' ' D' ' 515' ' ' ARG . 91.6 t -63.24 -41.43 92.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.363 -0.38 . . . . 10.0 110.001 179.628 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 512' ' ' ASP . . . . . 0.403 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 34.6 t70 -61.62 -39.18 90.33 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 109.344 -0.613 . . . . 10.0 109.344 178.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -62.75 -46.78 86.46 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 108.604 -0.888 . . . . 10.0 108.604 178.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 514' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' D' ' 510' ' ' HIS . 89.1 mt -60.22 -27.27 67.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.613 -0.721 . . . . 10.0 110.994 179.511 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 515' ' ' ARG . . . . . 0.479 ' HG3' ' O ' ' D' ' 511' ' ' VAL . 74.6 mtt180 -68.06 -21.43 65.0 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.128 0.49 . . . . 10.0 110.534 178.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 4.4 m -111.22 -15.3 13.68 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.679 179.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 35.6 m170 -96.23 -39.62 9.58 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.026 -0.534 . . . . 10.0 111.221 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 88.6 mt -94.85 -54.98 3.26 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.508 0.558 . . . . 10.0 112.508 -178.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 519' ' ' ALA . . . . . 0.65 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -47.96 -59.78 5.29 Favored Pre-proline 0 N--CA 1.47 0.532 0 N-CA-C 114.02 1.118 . . . . 10.0 114.02 -178.556 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 520' ' ' PRO . . . . . 0.65 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 34.9 Cg_exo -63.54 -35.26 60.76 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 121.863 1.709 . . . . 10.0 111.478 179.423 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 521' ' ' TYR . . . . . 0.408 ' HA ' ' OE1' ' D' ' 524' ' ' GLU . 17.6 t80 -66.41 -38.16 86.83 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.498 -0.319 . . . . 10.0 110.265 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 20.7 m -62.01 -34.27 75.89 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.375 -0.602 . . . . 10.0 109.375 178.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.91 -41.23 87.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.788 -0.642 . . . . 10.0 109.64 179.002 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 524' ' ' GLU . . . . . 0.466 ' HG3' ' O ' ' D' ' 520' ' ' PRO . 31.2 mt-10 -68.83 -37.23 79.03 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.465 -0.788 . . . . 10.0 109.372 178.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 20.1 mt -63.6 -35.94 82.16 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.692 -0.685 . . . . 10.0 109.468 178.16 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 526' ' ' ARG . . . . . . . . . . . . . 76.7 mtt180 -62.69 -38.88 92.12 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-N 115.916 -0.584 . . . . 10.0 109.701 178.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -67.79 -42.92 80.89 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-N 116.114 -0.493 . . . . 10.0 109.699 179.27 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 528' ' ' ARG . . . . . 0.673 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 91.8 mtt180 -65.09 -44.46 88.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.635 -0.711 . . . . 10.0 109.279 179.016 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 529' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' D' ' 529' ' ' LEU . 17.9 mt -65.83 -31.14 71.94 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.504 178.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -64.56 -46.89 80.85 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.112 -0.699 . . . . 10.0 109.112 178.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -67.77 -40.85 83.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.794 -0.639 . . . . 10.0 109.575 178.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 532' ' ' ARG . . . . . 0.585 ' O ' ' HG ' ' D' ' 536' ' ' LEU . 22.3 ttm180 -60.67 -48.66 80.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.352 -0.84 . . . . 10.0 109.791 179.032 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 27.9 mt -65.8 -34.57 78.47 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.462 179.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -61.4 -46.09 91.58 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 108.853 -0.795 . . . . 10.0 108.853 178.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 535' ' ' ALA . . . . . 0.454 ' O ' ' HB2' ' D' ' 539' ' ' ASN . . . -65.4 -42.07 92.97 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.766 -0.652 . . . . 10.0 109.837 178.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 536' ' ' LEU . . . . . 0.585 ' HG ' ' O ' ' D' ' 532' ' ' ARG . 90.8 mt -65.63 -27.4 68.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.966 -0.561 . . . . 10.0 111.01 179.477 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -79.91 -45.91 17.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.44 -0.345 . . . . 10.0 110.141 178.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -63.13 -44.74 94.75 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.441 -0.577 . . . . 10.0 109.441 179.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 539' ' ' ASN . . . . . 0.505 ' ND2' ' HG3' ' A' ' 235' ' ' GLU . 1.8 m-20 -71.53 -31.26 66.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.352 -0.84 . . . . 10.0 109.2 178.304 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -65.2 -50.7 55.42 Favored Glycine 0 N--CA 1.446 -0.693 0 N-CA-C 111.092 -0.803 . . . . 10.0 111.092 179.31 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -63.18 -36.58 93.63 Favored Glycine 0 N--CA 1.445 -0.708 0 N-CA-C 110.98 -0.848 . . . . 10.0 110.98 178.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -65.03 -48.86 72.37 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 109.183 -0.673 . . . . 10.0 109.183 178.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 50.1 mtt85 -63.42 -37.97 89.34 Favored 'General case' 0 C--O 1.218 -0.585 0 CA-C-N 115.859 -0.61 . . . . 10.0 110.864 179.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 33.1 mt -59.49 -41.33 89.59 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 109.394 -0.595 . . . . 10.0 109.394 178.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -67.33 -41.12 85.77 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.172 -0.922 . . . . 10.0 109.218 178.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 546' ' ' GLU . . . . . 0.423 ' O ' ' HD2' ' D' ' 550' ' ' LYS . 28.7 mt-10 -64.49 -45.47 87.16 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 115.943 -0.571 . . . . 10.0 109.943 178.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -59.43 -44.65 92.87 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 115.934 -0.575 . . . . 10.0 109.618 178.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.73 -41.25 96.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.57 179.646 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 549' ' ' ALA . . . . . 0.43 ' O ' ' HG3' ' D' ' 553' ' ' GLU . . . -64.64 -51.1 64.35 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.624 -0.51 . . . . 10.0 109.624 178.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 550' ' ' LYS . . . . . 0.423 ' HD2' ' O ' ' D' ' 546' ' ' GLU . 0.1 OUTLIER -63.89 -31.4 72.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.854 179.698 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -66.25 -44.55 83.36 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.059 -0.719 . . . . 10.0 109.059 178.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 10.1 m -64.51 -43.42 94.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.857 -0.61 . . . . 10.0 109.575 178.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 553' ' ' GLU . . . . . 0.43 ' HG3' ' O ' ' D' ' 549' ' ' ALA . 47.1 mt-10 -62.74 -49.26 75.74 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.094 179.185 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 17.4 t60 -61.46 -39.47 90.99 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.119 179.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 61.4 tp -62.46 -36.9 83.92 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.664 -0.495 . . . . 10.0 109.664 178.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 35.3 m -66.38 -46.09 77.85 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.609 -0.723 . . . . 10.0 109.754 178.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 2.5 p -70.76 -25.51 62.94 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.017 0.437 . . . . 10.0 110.619 179.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 4.2 mt -67.27 -55.44 13.92 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 115.804 -0.635 . . . . 10.0 109.898 179.166 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 2.5 p -66.04 -35.99 82.04 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.255 -0.43 . . . . 10.0 110.626 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.41 -26.35 68.44 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.889 179.334 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 561' ' ' LYS . . . . . 0.769 ' HA ' ' HE3' ' D' ' 561' ' ' LYS . 0.1 OUTLIER -98.71 -42.87 7.03 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.213 -0.448 . . . . 10.0 111.253 179.704 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -56.91 -45.32 82.74 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.912 -0.586 . . . . 10.0 112.299 -179.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -53.3 -64.29 1.8 Allowed Pre-proline 0 CA--C 1.539 0.526 0 N-CA-C 112.908 0.707 . . . . 10.0 112.908 -179.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -64.14 -38.57 35.64 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 121.66 1.573 . . . . 10.0 112.145 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -61.92 -53.09 60.58 Favored 'General case' 0 CA--C 1.522 -0.121 0 CA-C-O 120.64 0.257 . . . . 10.0 111.5 -179.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 77.4 mt -63.25 -42.21 99.16 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.564 -0.289 . . . . 10.0 111.22 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -61.82 -47.9 83.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.502 -0.317 . . . . 10.0 110.243 178.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -65.32 -38.54 90.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.093 0.473 . . . . 10.0 110.236 179.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 18.8 mt -59.57 -48.78 80.31 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-N 115.71 -0.677 . . . . 10.0 110.059 178.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 56.6 mtt180 -64.08 -37.9 89.11 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.015 0.436 . . . . 10.0 109.966 179.178 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -66.54 -14.08 61.84 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.598 -0.728 . . . . 10.0 110.491 178.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 572' ' ' GLY . . . . . 0.529 ' O ' ' HB ' ' D' ' 576' ' ' VAL . . . -105.83 -31.97 4.01 Favored Glycine 0 N--CA 1.444 -0.827 0 N-CA-C 110.696 -0.961 . . . . 10.0 110.696 178.577 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 65.6 mt -64.06 -45.23 89.71 Favored 'General case' 0 C--O 1.225 -0.214 0 C-N-CA 122.571 0.348 . . . . 10.0 111.562 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 46.1 mt -56.54 -59.77 11.21 Favored Pre-proline 0 CA--C 1.536 0.437 0 N-CA-C 112.044 0.386 . . . . 10.0 112.044 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -63.39 -34.52 65.84 Favored 'Trans proline' 0 C--N 1.356 0.956 0 C-N-CA 121.751 1.634 . . . . 10.0 112.045 178.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 576' ' ' VAL . . . . . 0.529 ' HB ' ' O ' ' D' ' 572' ' ' GLY . 0.3 OUTLIER -66.58 -36.89 78.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.707 0.289 . . . . 10.0 110.491 179.463 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 52.0 mt -66.85 -40.08 87.79 Favored 'General case' 0 CA--C 1.521 -0.146 0 N-CA-C 109.444 -0.576 . . . . 10.0 109.444 178.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -65.64 -37.74 87.41 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.935 -0.575 . . . . 10.0 109.811 178.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 46.6 m -68.81 -39.73 79.91 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.756 -0.656 . . . . 10.0 109.52 178.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -64.89 -40.71 95.53 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.145 178.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -56.68 -45.34 81.8 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.513 179.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 90.8 t -60.51 -49.7 83.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.362 -0.381 . . . . 10.0 111.119 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 1.3 p -66.32 -42.22 88.54 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.637 -0.256 . . . . 10.0 111.624 -179.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -65.29 -46.5 80.18 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.871 0.323 . . . . 10.0 111.871 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 67.2 mt -62.8 -42.79 99.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.585 -0.28 . . . . 10.0 110.508 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 16.2 m -67.25 -30.86 70.87 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.179 0.514 . . . . 10.0 110.196 179.138 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 587' ' ' ALA . . . . . 0.559 ' HB2' ' HG2' ' A' ' 396' ' ' LYS . . . -72.27 -57.31 4.32 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.468 179.491 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 87.9 mt -59.42 -41.38 89.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.124 -0.489 . . . . 10.0 111.905 -179.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -60.84 -47.96 83.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.91 0.385 . . . . 10.0 110.303 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -68.95 -32.36 71.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.374 -0.376 . . . . 10.0 110.731 179.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -62.95 -36.99 85.3 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.704 -0.48 . . . . 10.0 109.704 178.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 592' ' ' THR . . . . . 0.443 ' O ' ' HB2' ' D' ' 596' ' ' ASN . 7.0 m -66.07 -24.65 66.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.978 -0.556 . . . . 10.0 110.823 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -81.66 -40.37 22.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.164 179.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 594' ' ' LYS . . . . . 0.595 ' HE2' ' HB2' ' A' ' 388' ' ' SER . 10.8 mptt -73.21 -40.16 64.95 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.646 -0.706 . . . . 10.0 110.755 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 57.9 mt -93.37 36.93 1.05 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.264 -0.426 . . . . 10.0 110.561 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 596' ' ' ASN . . . . . 0.443 ' HB2' ' O ' ' D' ' 592' ' ' THR . 3.1 t-20 . . . . . 0 C--N 1.323 -0.569 0 CA-C-N 116.397 -0.365 . . . . 10.0 111.331 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . 0.401 ' HA ' ' O ' ' B' ' 50' ' ' THR . 0.3 OUTLIER . . . . . 0 CA--C 1.535 0.372 0 CA-C-O 120.925 0.393 . . . . 10.0 111.299 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 2' ' ' THR . . . . . 0.403 ' HB ' ' CE2' ' B' ' 4' ' ' TYR . 2.1 m -77.43 142.48 39.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.857 -179.493 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -93.23 139.05 31.04 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.321 -0.399 . . . . 10.0 109.983 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' TYR . . . . . 0.403 ' CE2' ' HB ' ' B' ' 2' ' ' THR . 96.9 m-85 -130.7 111.03 11.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.76 0.314 . . . . 10.0 111.332 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.753 ' HA ' ' HB3' ' B' ' 54' ' ' ASP . 60.6 mttm -79.79 110.64 15.33 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.478 -179.743 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.403 ' O ' ' HA ' ' B' ' 55' ' ' ILE . 0.4 OUTLIER -112.65 116.4 30.09 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.867 -178.724 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . 0.59 HG11 ' CD2' ' B' ' 71' ' ' TYR . 22.8 t -102.36 129.79 53.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.486 -0.325 . . . . 10.0 110.204 179.563 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.628 HG12 ' HD2' ' B' ' 16' ' ' LYS . 14.9 t -92.77 116.48 34.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 120.927 0.394 . . . . 10.0 111.248 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 11.3 m -111.97 149.95 14.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.878 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 150.14 163.33 11.09 Favored Glycine 0 N--CA 1.444 -0.827 0 N-CA-C 110.757 -0.937 . . . . 10.0 110.757 -179.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.14 155.97 39.48 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.914 0.387 . . . . 10.0 111.178 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.1 135.06 41.19 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.084 0.468 . . . . 10.0 110.619 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 114.73 -20.27 15.27 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.522 -0.847 . . . . 10.0 111.791 -179.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 10.7 m -73.3 -16.21 17.4 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 CA-C-O 120.803 0.335 . . . . 10.0 111.665 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . 0.404 ' O ' ' HG ' ' B' ' 19' ' ' LEU . . . 91.54 42.7 4.76 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.822 -0.704 . . . . 10.0 113.561 179.205 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . 0.628 ' HD2' HG12 ' B' ' 8' ' ' VAL . 46.3 mtmt -66.2 -39.66 89.83 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.868 -0.419 . . . . 10.0 109.868 179.469 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 6.3 m -76.27 -34.57 59.12 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.242 -0.436 . . . . 10.0 110.906 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.49 -42.43 82.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.29 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.718 HD23 ' HB2' ' B' ' 146' ' ' ALA . 30.3 mt -64.01 -46.39 84.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.666 -0.697 . . . . 10.0 110.534 179.24 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 3.0 m -63.54 -44.15 95.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.016 -0.538 . . . . 10.0 111.469 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 97.8 mt -62.62 -37.07 78.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.965 0.412 . . . . 10.0 110.566 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' GLN . . . . . 0.614 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 1.5 mm-40 -68.02 -26.0 65.67 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.251 0.548 . . . . 10.0 110.481 178.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 36.5 tp -88.63 -38.93 14.43 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.077 -0.511 . . . . 10.0 111.474 -179.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.403 HD11 HD12 ' B' ' 55' ' ' ILE . 46.2 mm -84.23 -61.1 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 112.137 0.421 . . . . 10.0 112.137 -178.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -82.41 -14.56 54.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.72 0.295 . . . . 10.0 111.697 -179.074 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . 0.614 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 32.4 m-80 70.91 30.1 2.9 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 113.355 0.872 . . . . 10.0 113.355 178.397 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 35.4 p80 -149.76 160.92 43.16 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.878 0.371 . . . . 10.0 111.803 178.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -97.26 142.97 28.5 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.833 -0.621 . . . . 10.0 110.673 -179.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 12.8 m -114.24 137.09 48.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 120.866 0.365 . . . . 10.0 110.914 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -90.26 -26.63 19.95 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.004 -0.543 . . . . 10.0 109.835 179.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -75.46 118.14 18.01 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.614 -0.721 . . . . 10.0 111.496 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -73.89 134.23 43.22 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.817 -0.438 . . . . 10.0 109.817 179.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . 0.454 ' HA ' ' HD3' ' B' ' 34' ' ' PRO . 34.8 t70 -127.42 120.92 22.24 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-O 120.928 0.394 . . . . 10.0 111.132 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' B' ' 33' ' ' ASP . 2.9 Cg_exo -76.83 72.35 5.78 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 123.105 2.537 . . . . 10.0 112.156 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.21 128.88 38.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.112 -0.495 . . . . 10.0 111.577 179.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.84 ' HA ' ' HB2' ' B' ' 59' ' ' ALA . 50.4 mm -91.35 -44.59 14.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.586 -0.524 . . . . 10.0 109.586 179.305 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . 0.463 ' HA ' ' O ' ' B' ' 57' ' ' ASP . 38.8 tt0 -168.21 107.38 0.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.751 -0.659 . . . . 10.0 110.666 179.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -133.95 137.36 44.81 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.305 -0.407 . . . . 10.0 110.186 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 8.5 p -110.83 143.53 41.25 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.194 0.521 . . . . 10.0 111.421 -179.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -135.97 141.54 44.44 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.457 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -113.38 140.45 48.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.816 0.341 . . . . 10.0 111.331 -179.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . 0.497 ' HB3' HD12 ' B' ' 53' ' ' LEU . 53.8 tttp -147.14 134.66 20.89 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.325 179.333 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -112.5 111.91 23.08 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.869 -0.419 . . . . 10.0 109.869 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 2.9 m -132.65 161.09 42.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.123 -0.489 . . . . 10.0 111.166 -179.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 27.9 t -96.36 103.87 15.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.036 179.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 39.8 mt -112.15 121.15 64.02 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 N-CA-C 109.469 -0.567 . . . . 10.0 109.469 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . 0.546 ' HA ' ' HB3' ' C' ' 128' ' ' LYS . 33.0 m-20 62.11 16.52 8.33 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.184 0.516 . . . . 10.0 111.794 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 100.39 -6.96 57.95 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.912 -0.661 . . . . 10.0 112.265 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -102.84 130.7 49.94 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.79 0.329 . . . . 10.0 110.46 -179.62 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . 0.401 ' O ' ' HA ' ' B' ' 1' ' ' SER . 0.2 OUTLIER -83.46 68.98 9.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.445 179.33 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 4.3 m -69.49 149.87 47.81 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.706 -0.679 . . . . 10.0 112.552 -178.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 45.0 tp -105.1 114.08 28.05 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.416 -0.811 . . . . 10.0 109.033 178.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . 0.497 HD12 ' HB3' ' B' ' 42' ' ' LYS . 25.6 mt -83.2 126.92 33.15 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.113 -0.494 . . . . 10.0 111.691 -178.574 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . 0.753 ' HB3' ' HA ' ' B' ' 5' ' ' LYS . 6.7 t70 -113.64 79.4 1.24 Allowed 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 107.98 -1.118 . . . . 10.0 107.98 178.629 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' ILE . . . . . 0.403 ' HA ' ' O ' ' B' ' 6' ' ' LEU . 3.8 mt -80.99 148.24 5.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.919 -0.582 . . . . 10.0 111.949 -177.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 18.4 tp -145.57 118.27 8.64 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.899 -0.591 . . . . 10.0 110.927 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . 0.463 ' O ' ' HA ' ' B' ' 37' ' ' GLU . 32.9 t70 -91.69 125.46 36.42 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 109.335 -0.617 . . . . 10.0 109.335 178.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 26.0 p -108.09 151.88 25.28 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.476 -0.329 . . . . 10.0 111.199 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' ALA . . . . . 0.84 ' HB2' ' HA ' ' B' ' 36' ' ' ILE . . . -71.27 110.35 5.86 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.536 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -91.69 44.93 2.72 Favored Glycine 0 N--CA 1.453 -0.211 0 N-CA-C 111.597 -0.601 . . . . 10.0 111.597 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -106.0 28.21 7.83 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.431 -0.385 . . . . 10.0 110.371 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.428 ' HG3' ' H ' ' B' ' 63' ' ' GLU . 2.8 tp10 66.61 -175.06 0.19 Allowed 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.761 -0.654 . . . . 10.0 111.29 -179.299 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . 0.428 ' H ' ' HG3' ' B' ' 62' ' ' GLU . 1.8 tm-20 60.84 -149.13 0.42 Allowed 'General case' 0 C--O 1.234 0.284 0 N-CA-C 109.344 -0.613 . . . . 10.0 109.344 -178.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 53.28 40.89 31.98 Favored 'General case' 0 C--O 1.234 0.273 0 O-C-N 123.112 0.258 . . . . 10.0 111.496 179.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.6 -43.1 79.8 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 115.948 -0.569 . . . . 10.0 111.564 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.77 -39.84 63.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.807 0.337 . . . . 10.0 110.526 179.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -46.01 92.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.121 -0.491 . . . . 10.0 110.8 179.749 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' ARG . . . . . 0.775 ' HA ' ' CE1' ' B' ' 71' ' ' TYR . 12.5 mtp180 -62.65 -41.73 99.21 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 115.6 -0.727 . . . . 10.0 111.057 179.72 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.9 -13.26 59.33 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.9 -0.591 . . . . 10.0 112.218 -179.591 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -93.28 -60.39 1.8 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 111.853 0.316 . . . . 10.0 111.853 -179.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' TYR . . . . . 0.775 ' CE1' ' HA ' ' B' ' 68' ' ' ARG . 5.5 p90 -60.29 -25.84 66.04 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 113.328 0.862 . . . . 10.0 113.328 -178.06 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . 0.491 ' HA ' ' HZ ' ' B' ' 78' ' ' PHE . 43.7 mtt -68.87 -28.96 67.17 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.036 0.446 . . . . 10.0 111.659 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . 0.538 ' HG3' HG12 ' B' ' 103' ' ' VAL . 14.7 mtm180 -76.78 -32.01 57.41 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 116.514 -0.312 . . . . 10.0 110.993 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.07 -29.68 26.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.956 0.407 . . . . 10.0 110.877 179.595 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.29 128.18 35.9 Favored Glycine 0 C--N 1.334 0.422 0 CA-C-N 115.791 -0.641 . . . . 10.0 112.858 -179.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -95.71 -29.23 14.39 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.569 -0.53 . . . . 10.0 109.569 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 77' ' ' GLY . . . . . 0.442 ' HA3' HD11 ' B' ' 163' ' ' ILE . . . -135.69 142.02 13.27 Favored Glycine 0 N--CA 1.448 -0.534 0 N-CA-C 110.216 -1.154 . . . . 10.0 110.216 178.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . 0.576 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 93.3 m-85 -122.54 132.15 54.18 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 117.535 0.668 . . . . 10.0 112.096 -179.161 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 19.0 tp -99.46 94.07 6.22 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.309 -0.86 . . . . 10.0 109.732 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 3.0 m -79.11 101.81 8.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.933 -0.576 . . . . 10.0 109.721 179.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 44.0 t -113.96 134.17 57.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.914 -0.585 . . . . 10.0 111.541 -179.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 82' ' ' PHE . . . . . 0.607 ' HE2' ' HE1' ' B' ' 141' ' ' PHE . 25.7 p90 -134.66 167.65 20.43 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 115.487 -0.778 . . . . 10.0 109.318 178.635 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.607 ' HB3' ' HB3' ' B' ' 86' ' ' ASN . . . -105.93 128.41 53.78 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.313 -0.403 . . . . 10.0 109.96 179.526 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . 0.475 ' CD1' ' HA ' ' B' ' 118' ' ' CYS . 33.8 pt -68.03 -14.08 17.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.868 -179.65 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 19.8 p-10 -101.97 3.24 38.75 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.321 179.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.607 ' HB3' ' HB3' ' B' ' 83' ' ' ALA . 27.0 t-20 -131.27 96.36 4.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.252 -0.431 . . . . 10.0 110.179 -179.731 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . 0.438 ' O ' ' HG3' ' B' ' 91' ' ' GLU . 0.2 OUTLIER -58.5 -31.59 68.01 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.852 -0.613 . . . . 10.0 112.501 -179.233 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -57.92 -48.11 80.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 10.0 111.792 -179.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . 0.441 ' O ' HG12 ' B' ' 93' ' ' ILE . 78.9 p -62.44 -33.84 75.62 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.639 0.257 . . . . 10.0 111.687 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -65.34 -39.73 92.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.152 0.501 . . . . 10.0 110.238 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . 0.438 ' HG3' ' O ' ' B' ' 87' ' ' THR . 37.4 mt-10 -75.72 -33.4 60.3 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.431 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.45 -22.39 66.95 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.153 179.658 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 93' ' ' ILE . . . . . 0.441 HG12 ' O ' ' B' ' 89' ' ' SER . 25.4 mm -58.03 -36.28 55.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.096 -0.502 . . . . 10.0 109.721 178.446 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 28.8 t60 -64.46 -41.03 96.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.443 -0.799 . . . . 10.0 110.208 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 64.4 m-70 -66.52 -41.03 89.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.838 -179.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -66.06 -46.08 79.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.016 -0.538 . . . . 10.0 111.356 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 26.6 ttt180 -56.52 -48.11 77.93 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.012 -0.54 . . . . 10.0 111.944 -179.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -65.68 -39.18 91.04 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.195 -0.457 . . . . 10.0 111.378 -179.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 99' ' ' GLN . . . . . 0.465 ' O ' HG23 ' B' ' 103' ' ' VAL . 61.7 tt0 -65.63 -49.47 68.56 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.997 -0.281 . . . . 10.0 110.883 179.518 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 96.8 mt -54.95 -47.05 76.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-O 121.098 0.475 . . . . 10.0 111.319 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 101' ' ' LYS . . . . . 0.417 ' HB2' ' HE3' ' B' ' 101' ' ' LYS . 19.1 mtmt -64.51 -37.06 86.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.772 -0.649 . . . . 10.0 111.474 -179.568 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? -71.81 -39.06 70.08 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.277 -0.42 . . . . 10.0 111.061 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 103' ' ' VAL . . . . . 0.538 HG12 ' HG3' ' B' ' 73' ' ' ARG . 69.1 t -66.92 -47.74 81.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.999 -0.546 . . . . 10.0 111.347 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -83.17 -12.53 56.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.626 -0.261 . . . . 10.0 111.523 -179.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 25.9 t0 57.79 57.29 4.27 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.642 0.734 . . . . 10.0 110.457 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 6.1 t -156.74 179.1 9.61 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.492 -0.776 . . . . 10.0 110.123 -179.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -131.26 -34.69 1.4 Allowed 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.856 0.36 . . . . 10.0 111.156 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -85.89 57.42 4.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.247 0.546 . . . . 10.0 111.55 -179.214 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 46.7 t -94.89 119.9 65.31 Favored Pre-proline 0 C--N 1.323 -0.552 0 N-CA-C 109.583 -0.525 . . . . 10.0 109.583 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 110' ' ' PRO . . . . . 0.739 ' HB3' ' HB3' ' B' ' 162' ' ' GLU . 35.9 Cg_exo -61.95 114.93 2.51 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 123.339 2.693 . . . . 10.0 112.469 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 111' ' ' MET . . . . . 0.576 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 55.4 mtm -148.34 154.7 40.33 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.983 -0.553 . . . . 10.0 109.939 -179.314 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . 0.534 HG13 ' HG2' ' B' ' 140' ' ' PRO . 47.8 t -133.63 139.87 47.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.714 -0.476 . . . . 10.0 109.714 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . 0.411 ' O ' ' HA ' ' B' ' 141' ' ' PHE . 24.8 tp -95.83 120.82 36.77 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.252 -0.647 . . . . 10.0 109.252 179.52 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 2.3 t -124.49 138.4 54.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 120.828 0.347 . . . . 10.0 111.269 -179.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -106.96 135.78 12.96 Favored Glycine 0 N--CA 1.449 -0.442 0 N-CA-C 110.877 -0.889 . . . . 10.0 110.877 179.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -111.25 161.66 15.78 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 117.185 0.493 . . . . 10.0 110.667 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 80.5 mttt 63.13 34.85 13.29 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.033 -0.53 . . . . 10.0 111.23 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 118' ' ' CYS . . . . . 0.475 ' HA ' ' CD1' ' B' ' 84' ' ' ILE . 71.2 m -74.13 0.1 14.96 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.195 -0.457 . . . . 10.0 111.524 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -95.83 -2.47 47.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.087 179.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 21.2 mt -80.52 131.49 61.27 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 115.838 -0.619 . . . . 10.0 110.772 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -69.69 149.28 67.11 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.369 2.046 . . . . 10.0 111.47 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 2.6 m 61.41 80.81 0.21 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.234 0.54 . . . . 10.0 111.79 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 123' ' ' ARG . . . . . 0.458 ' HD3' ' O ' ' B' ' 125' ' ' VAL . 5.0 ptp180 -88.09 153.26 21.41 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.767 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 13.1 m -95.0 -39.75 10.01 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.154 -0.476 . . . . 10.0 110.42 179.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 125' ' ' VAL . . . . . 0.458 ' O ' ' HD3' ' B' ' 123' ' ' ARG . 60.8 t -98.68 120.03 47.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.384 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.03 154.72 29.24 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.057 -0.52 . . . . 10.0 110.694 179.556 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -62.24 -39.8 94.06 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.165 -0.47 . . . . 10.0 112.249 -178.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 128' ' ' LYS . . . . . 0.946 ' HB3' ' HA ' ' C' ' 47' ' ' ASP . 4.0 mptt -59.18 -56.44 22.13 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.422 -179.408 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -60.09 -37.96 81.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.662 0.268 . . . . 10.0 111.656 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.59 -44.16 74.96 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.092 0.473 . . . . 10.0 110.517 179.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . 0.415 ' HG3' ' CD2' ' B' ' 141' ' ' PHE . 57.3 mt-30 -70.98 -35.52 72.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.974 -0.557 . . . . 10.0 111.456 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -62.43 -44.56 96.12 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.328 0.585 . . . . 10.0 109.708 178.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 13.2 tp -60.11 -49.53 77.27 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.517 -0.765 . . . . 10.0 109.66 178.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.78 -39.81 95.16 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.794 179.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -38.81 90.9 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.977 -0.556 . . . . 10.0 110.881 179.795 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 15.5 m -69.67 -20.36 63.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.057 -0.52 . . . . 10.0 110.786 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 21.0 m-30 -89.73 -26.03 20.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.024 179.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 95.14 21.47 25.13 Favored Glycine 0 N--CA 1.448 -0.554 0 CA-C-N 115.534 -0.757 . . . . 10.0 111.786 -179.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 44.8 pt -120.46 153.84 56.4 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-O 120.482 0.182 . . . . 10.0 110.762 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 140' ' ' PRO . . . . . 0.534 ' HG2' HG13 ' B' ' 112' ' ' VAL . 92.0 Cg_endo -80.92 159.6 21.1 Favored 'Trans proline' 0 C--O 1.234 0.301 0 C-N-CA 122.661 2.24 . . . . 10.0 112.231 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 141' ' ' PHE . . . . . 0.607 ' HE1' ' HE2' ' B' ' 82' ' ' PHE . 89.0 t80 -128.7 130.51 47.26 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.056 -0.52 . . . . 10.0 109.831 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 24.0 mt -125.94 132.93 70.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.901 0.381 . . . . 10.0 111.308 -179.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -91.75 120.37 32.43 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.451 -0.944 . . . . 10.0 108.451 178.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 32.0 p -127.93 173.51 9.95 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.604 0.716 . . . . 10.0 112.83 -177.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 7.0 t -155.53 110.79 3.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.209 -0.905 . . . . 10.0 109.15 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 146' ' ' ALA . . . . . 0.718 ' HB2' HD23 ' B' ' 19' ' ' LEU . . . -72.43 -17.66 61.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.863 0.363 . . . . 10.0 110.453 -179.732 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 55.4 tttt -60.05 -42.28 94.12 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.476 -0.783 . . . . 10.0 111.973 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.23 22.81 6.54 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.535 0.198 . . . . 10.0 111.535 -179.455 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 53.24 50.62 17.24 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.384 0.611 . . . . 10.0 111.43 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -82.17 89.45 6.5 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.42 -0.809 . . . . 10.0 111.377 -178.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 58.97 33.73 75.41 Favored Glycine 0 C--N 1.332 0.358 0 CA-C-N 116.117 -0.492 . . . . 10.0 114.137 178.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 152' ' ' VAL . . . . . 0.515 HG12 ' CE2' ' B' ' 156' ' ' PHE . 22.8 t -67.02 -42.71 88.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.109 0.48 . . . . 10.0 110.758 -179.305 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.93 -34.39 78.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.936 -0.575 . . . . 10.0 111.679 -179.468 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -56.79 -46.35 81.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.206 -179.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.69 -40.91 96.67 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.89 -179.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 156' ' ' PHE . . . . . 0.515 ' CE2' HG12 ' B' ' 152' ' ' VAL . 23.2 m-85 -66.45 -45.62 79.17 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.599 -0.728 . . . . 10.0 111.648 -179.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 18.1 m-30 -62.39 -40.69 97.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.096 0.474 . . . . 10.0 110.319 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 158' ' ' THR . . . . . 0.409 ' HA ' ' NH1' ' B' ' 161' ' ' ARG . 93.0 m -61.73 -36.68 81.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.763 -0.653 . . . . 10.0 111.775 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 40.0 tp -65.77 -44.81 84.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.176 -0.465 . . . . 10.0 110.645 179.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 57.5 t -65.63 -40.39 87.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.193 0.52 . . . . 10.0 110.485 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 161' ' ' ARG . . . . . 0.409 ' NH1' ' HA ' ' B' ' 158' ' ' THR . 28.2 ttp-105 -61.42 -31.89 71.83 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.46 -0.791 . . . . 10.0 111.394 179.627 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 162' ' ' GLU . . . . . 0.739 ' HB3' ' HB3' ' B' ' 110' ' ' PRO . 25.2 mm-40 -66.69 -50.76 61.8 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.347 -0.388 . . . . 10.0 110.962 179.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 163' ' ' ILE . . . . . 0.442 HD11 ' HA3' ' B' ' 77' ' ' GLY . 14.9 mt -59.71 -29.54 43.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.509 -0.769 . . . . 10.0 112.194 -179.154 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 3.0 mtt85 -66.27 -17.72 64.92 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.119 0.414 . . . . 10.0 112.119 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 165' ' ' LYS . . . . . 0.606 ' HD3' ' HG2' ' C' ' 135' ' ' ARG . 55.7 mtmt . . . . . 0 C--N 1.324 -0.537 0 N-CA-C 112.114 0.413 . . . . 10.0 112.114 -179.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.454 -0.227 0 CA-C-O 120.884 0.373 . . . . 10.0 110.865 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 4.2 m -77.05 124.88 28.43 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.314 -0.403 . . . . 10.0 110.71 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -89.59 128.83 36.09 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.991 -0.55 . . . . 10.0 110.007 179.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -117.99 125.47 50.45 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.992 -0.373 . . . . 10.0 109.992 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 5' ' ' LYS . . . . . 0.4 ' HB2' ' HG3' ' C' ' 76' ' ' GLU . 67.2 mttm -95.1 111.66 23.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.388 -0.369 . . . . 10.0 110.569 -179.72 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . 0.496 HD11 HG12 ' C' ' 55' ' ' ILE . 0.7 OUTLIER -123.61 131.28 53.58 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.143 -0.48 . . . . 10.0 111.938 -179.396 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 20.4 t -114.36 132.37 63.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.354 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 10.1 t -96.55 122.22 47.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.552 -0.536 . . . . 10.0 109.552 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 11.5 m -123.04 157.38 28.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.41 -179.369 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 152.14 176.31 24.68 Favored Glycine 0 N--CA 1.451 -0.33 0 N-CA-C 111.289 -0.724 . . . . 10.0 111.289 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.74 174.91 4.63 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.946 0.373 . . . . 10.0 111.344 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.65 145.53 27.94 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.983 0.42 . . . . 10.0 111.337 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 74.62 18.35 80.0 Favored Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 115.439 -0.801 . . . . 10.0 113.944 179.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 14' ' ' VAL . . . . . 0.471 ' CG2' ' HG3' ' C' ' 16' ' ' LYS . 30.5 m -87.36 -29.73 5.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 117.456 0.628 . . . . 10.0 112.299 -179.65 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . 0.529 ' HA3' ' ND2' ' C' ' 116' ' ' ASN . . . 116.09 18.11 6.04 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.684 -0.77 . . . . 10.0 113.195 179.635 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . 0.613 ' HG2' ' HB ' ' C' ' 81' ' ' VAL . 54.3 mtmt -57.94 -46.41 85.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.14 0.495 . . . . 10.0 111.33 -179.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 14.9 m -76.56 -35.12 58.4 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.998 -178.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.19 -47.33 86.42 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.931 0.396 . . . . 10.0 110.72 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 71.3 mt -61.57 -45.72 92.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.923 -0.58 . . . . 10.0 111.141 179.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 8.1 m -63.26 -40.56 97.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.085 0.469 . . . . 10.0 111.639 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 71.3 mt -65.81 -29.95 48.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.508 179.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 22' ' ' GLN . . . . . 0.543 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 8.8 mm-40 -69.36 -17.2 63.67 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.338 -0.392 . . . . 10.0 111.39 179.14 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 20.7 tp -94.68 -37.05 11.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.96 0.409 . . . . 10.0 110.708 179.094 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 36.6 mm -83.91 -72.31 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.472 -0.331 . . . . 10.0 111.217 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 25' ' ' GLN . . . . . 0.564 ' HB3' ' HD2' ' C' ' 27' ' ' HIS . 79.2 mt-30 -76.11 -21.49 56.6 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.117 -0.492 . . . . 10.0 111.385 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 26' ' ' ASN . . . . . 0.543 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 32.7 m-80 68.67 34.68 3.37 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 113.403 0.89 . . . . 10.0 113.403 178.267 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 27' ' ' HIS . . . . . 0.564 ' HD2' ' HB3' ' C' ' 25' ' ' GLN . 3.8 p80 -140.11 156.49 46.54 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.468 -0.333 . . . . 10.0 110.117 178.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -97.31 118.13 33.09 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.028 0.442 . . . . 10.0 111.413 -179.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -78.84 103.82 6.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 109.359 -0.608 . . . . 10.0 109.359 178.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -74.27 -16.53 60.94 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.208 0.528 . . . . 10.0 110.966 -179.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.89 142.76 27.1 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.386 -0.825 . . . . 10.0 109.08 178.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -93.96 112.01 23.79 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 112.285 0.476 . . . . 10.0 112.285 -179.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -114.58 108.97 48.64 Favored Pre-proline 0 C--N 1.326 -0.423 0 N-CA-C 109.011 -0.737 . . . . 10.0 109.011 178.033 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -62.74 85.02 0.11 Allowed 'Trans proline' 0 CA--C 1.528 0.213 0 C-N-CA 123.137 2.558 . . . . 10.0 113.147 -179.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.75 106.97 6.55 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.509 -0.552 . . . . 10.0 109.509 178.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . 0.804 ' HA ' ' HB2' ' C' ' 59' ' ' ALA . 49.0 mm -64.5 -52.11 59.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 CA-C-N 116.029 -0.532 . . . . 10.0 111.319 -179.127 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -155.56 98.16 1.93 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.882 -0.599 . . . . 10.0 109.387 -179.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -123.05 139.56 53.94 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.283 -0.417 . . . . 10.0 111.032 -179.072 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.53 140.78 48.85 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.911 0.386 . . . . 10.0 111.623 -179.259 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -127.18 141.86 51.64 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.953 -0.567 . . . . 10.0 109.584 -179.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . 0.427 ' HA ' ' O ' ' C' ' 53' ' ' LEU . 1.0 OUTLIER -118.87 122.74 43.02 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.909 -0.404 . . . . 10.0 109.909 179.493 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 47.1 tptt -132.4 123.22 26.31 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 121.18 -0.208 . . . . 10.0 111.122 -179.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -102.22 104.98 15.58 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.673 -0.491 . . . . 10.0 109.673 179.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 3.1 m -132.95 164.0 36.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.879 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 23.7 t -96.7 111.68 27.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.035 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 75.6 mt -113.58 119.1 60.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.934 -179.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 47' ' ' ASP . . . . . 0.946 ' HA ' ' HB3' ' B' ' 128' ' ' LYS . 55.9 m-20 60.05 28.79 18.37 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.719 -0.673 . . . . 10.0 112.485 179.698 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.88 -14.93 63.98 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.753 -0.737 . . . . 10.0 113.652 179.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -104.51 137.65 42.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 122.438 -0.449 . . . . 10.0 111.324 -179.405 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 1.1 m -78.54 122.21 25.59 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.691 -0.855 . . . . 10.0 108.691 178.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 3.8 m -119.01 143.73 46.91 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 113.111 0.782 . . . . 10.0 113.111 -177.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 59.5 tp -105.84 99.49 9.09 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 107.199 -1.408 . . . . 10.0 107.199 177.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . 0.427 ' O ' ' HA ' ' C' ' 41' ' ' ARG . 22.5 mt -80.09 119.39 22.82 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 113.071 0.767 . . . . 10.0 113.071 -177.55 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -103.18 86.09 2.62 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.319 -1.363 . . . . 10.0 107.319 177.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 55' ' ' ILE . . . . . 0.496 HG12 HD11 ' C' ' 6' ' ' LEU . 5.6 mt -85.88 135.43 25.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.4 -0.818 . . . . 10.0 111.449 -177.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 43.5 tp -125.86 111.76 15.2 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.669 179.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -94.8 118.08 31.18 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.455 -0.793 . . . . 10.0 109.462 179.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 58' ' ' THR . . . . . 0.418 HG21 ' CE2' ' C' ' 71' ' ' TYR . 69.8 p -108.11 147.29 31.44 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.478 -179.19 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 59' ' ' ALA . . . . . 0.804 ' HB2' ' HA ' ' C' ' 36' ' ' ILE . . . -67.12 139.15 57.5 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.839 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -98.53 29.49 11.41 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.802 -0.713 . . . . 10.0 112.022 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 61' ' ' GLN . . . . . 0.439 HE21 ' HB3' ' C' ' 61' ' ' GLN . 11.2 mt-30 -82.74 0.09 45.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.463 0.173 . . . . 10.0 111.073 -179.538 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 62' ' ' GLU . . . . . 0.485 ' O ' ' HB3' ' C' ' 63' ' ' GLU . 31.9 mm-40 65.29 -162.65 0.26 Allowed 'General case' 0 C--O 1.235 0.32 0 N-CA-C 112.538 0.569 . . . . 10.0 112.538 -179.433 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 63' ' ' GLU . . . . . 0.485 ' HB3' ' O ' ' C' ' 62' ' ' GLU . 24.5 tt0 77.89 -28.71 0.16 Allowed 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.345 0.658 . . . . 10.0 111.579 -178.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 64' ' ' TYR . . . . . 0.58 ' HB3' ' HB3' ' C' ' 67' ' ' MET . 11.2 m-85 -76.06 79.18 2.9 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.936 -179.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.45 -74.36 0.26 Allowed 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.214 0.53 . . . . 10.0 110.55 179.686 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -72.64 -25.84 61.43 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.227 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 67' ' ' MET . . . . . 0.58 ' HB3' ' HB3' ' C' ' 64' ' ' TYR . 24.6 ttt -64.14 -25.32 68.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.758 -0.655 . . . . 10.0 110.501 179.423 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 68' ' ' ARG . . . . . 0.544 ' HG2' ' HE3' ' C' ' 72' ' ' MET . 1.4 tpp180 -73.41 -38.55 65.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.608 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 69' ' ' ASP . . . . . 0.408 ' HA ' ' HB2' ' C' ' 72' ' ' MET . 0.3 OUTLIER -57.07 -35.89 69.9 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.233 -0.439 . . . . 10.0 111.89 179.9 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -50.49 -48.93 56.63 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.828 -0.624 . . . . 10.0 112.399 -179.293 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 71' ' ' TYR . . . . . 0.51 ' CZ ' ' HA ' ' C' ' 68' ' ' ARG . 4.3 p90 -95.58 -10.64 29.01 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.41 0.522 . . . . 10.0 112.41 -179.226 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 72' ' ' MET . . . . . 0.544 ' HE3' ' HG2' ' C' ' 68' ' ' ARG . 22.2 mtt -76.03 -33.82 59.66 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.804 0.335 . . . . 10.0 111.17 179.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 25.8 mtm180 -73.88 -35.45 64.72 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.891 0.377 . . . . 10.0 111.226 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -75.0 -45.32 42.76 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.913 -0.585 . . . . 10.0 112.54 -179.126 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -63.42 146.0 50.19 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.773 -0.727 . . . . 10.0 113.141 -179.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . 0.4 ' HG3' ' HB2' ' C' ' 5' ' ' LYS . 31.5 mt-10 -100.22 -51.49 3.64 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.109 0.481 . . . . 10.0 110.003 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -105.92 137.81 13.99 Favored Glycine 0 N--CA 1.448 -0.544 0 CA-C-N 115.593 -0.73 . . . . 10.0 111.353 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 78' ' ' PHE . . . . . 0.668 ' HB2' ' HG2' ' C' ' 111' ' ' MET . 84.5 m-85 -114.37 125.26 53.66 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.341 0.591 . . . . 10.0 112.145 -179.343 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 79' ' ' LEU . . . . . 0.676 HD13 HD22 ' C' ' 159' ' ' LEU . 12.4 tp -102.38 104.56 15.05 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.369 -0.832 . . . . 10.0 109.853 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 80' ' ' CYS . . . . . 0.766 ' HB3' HD12 ' C' ' 93' ' ' ILE . 72.6 m -90.54 104.89 17.42 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.378 -0.374 . . . . 10.0 110.087 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 81' ' ' VAL . . . . . 0.613 ' HB ' ' HG2' ' C' ' 16' ' ' LYS . 94.8 t -104.89 119.84 54.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.813 -0.63 . . . . 10.0 110.721 -179.474 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 82' ' ' PHE . . . . . 0.57 ' HE2' ' HG ' ' C' ' 113' ' ' LEU . 36.5 p90 -123.48 163.75 20.28 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.476 -0.784 . . . . 10.0 109.459 178.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 83' ' ' ALA . . . . . 0.493 ' HB3' ' HB3' ' C' ' 86' ' ' ASN . . . -100.85 131.74 46.59 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 120.807 0.337 . . . . 10.0 110.306 179.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 84' ' ' ILE . . . . . 0.607 HD12 ' HB3' ' C' ' 123' ' ' ARG . 14.7 pt -67.1 -14.7 18.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.321 -0.4 . . . . 10.0 112.047 -179.367 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 85' ' ' ASN . . . . . 0.401 ' OD1' ' HB1' ' C' ' 83' ' ' ALA . 28.8 p-10 -102.68 0.65 33.43 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.96 0.41 . . . . 10.0 110.429 179.41 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 86' ' ' ASN . . . . . 0.493 ' HB3' ' HB3' ' C' ' 83' ' ' ALA . 44.3 t-20 -122.33 94.83 4.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.359 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -62.07 -32.57 73.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.859 -0.61 . . . . 10.0 111.799 -179.422 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -60.96 -42.77 98.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.86 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 98.4 p -69.0 -30.09 68.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.431 -0.35 . . . . 10.0 111.031 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 90' ' ' PHE . . . . . 0.404 ' HB2' HG21 ' C' ' 125' ' ' VAL . 73.0 t80 -66.15 -48.59 70.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.548 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -72.6 -19.4 61.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.937 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.67 -22.56 60.9 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.362 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 93' ' ' ILE . . . . . 0.766 HD12 ' HB3' ' C' ' 80' ' ' CYS . 47.6 mm -60.26 -32.52 50.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.222 -0.445 . . . . 10.0 109.817 179.212 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 64.1 t60 -61.38 -47.3 86.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.907 -0.588 . . . . 10.0 109.874 179.15 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 81.6 m-70 -64.3 -32.4 73.98 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.824 -0.625 . . . . 10.0 110.631 -179.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -71.08 -49.63 42.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.239 179.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -58.46 -43.05 88.7 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.642 179.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -66.02 -35.95 81.95 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.998 -0.546 . . . . 10.0 111.551 179.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -67.74 -45.05 76.08 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.814 0.34 . . . . 10.0 110.203 179.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 100' ' ' ILE . . . . . 0.425 HG21 HG11 ' C' ' 109' ' ' VAL . 80.5 mt -56.26 -49.94 73.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 115.672 -0.694 . . . . 10.0 111.193 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 36.5 mtmt -59.5 -35.54 74.35 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.297 0.48 . . . . 10.0 112.297 -179.293 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 9.0 tmm_? -76.42 -41.69 46.81 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.067 0.46 . . . . 10.0 110.793 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 44.5 t -68.45 -42.75 84.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 112.801 0.667 . . . . 10.0 112.801 -178.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -93.95 -15.62 24.74 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.984 0.735 . . . . 10.0 112.984 -178.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 26.3 t70 61.58 58.62 2.01 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.412 0.625 . . . . 10.0 111.794 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 69.3 m -159.54 140.76 12.75 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.337 -0.392 . . . . 10.0 111.462 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -84.48 -39.22 19.16 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.295 -0.632 . . . . 10.0 109.295 178.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.86 96.42 9.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.517 -0.765 . . . . 10.0 110.181 179.551 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 109' ' ' VAL . . . . . 0.425 HG11 HG21 ' C' ' 100' ' ' ILE . 14.5 t -124.56 129.2 24.73 Favored Pre-proline 0 C--N 1.323 -0.553 0 N-CA-C 109.606 -0.516 . . . . 10.0 109.606 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 110' ' ' PRO . . . . . 0.416 ' HG3' ' CB ' ' C' ' 166' ' ' HIS . 20.0 Cg_exo -67.11 97.67 0.42 Allowed 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 122.664 2.242 . . . . 10.0 111.126 179.155 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 111' ' ' MET . . . . . 0.668 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 53.1 mtm -130.02 152.66 49.23 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.344 -0.389 . . . . 10.0 110.388 -179.629 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 91.3 t -135.95 134.54 50.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.971 -0.559 . . . . 10.0 109.774 179.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 113' ' ' LEU . . . . . 0.57 ' HG ' ' HE2' ' C' ' 82' ' ' PHE . 14.7 tp -92.21 114.25 26.74 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.378 -0.601 . . . . 10.0 109.378 179.636 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 40.6 t -117.71 121.46 67.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.261 -0.427 . . . . 10.0 111.791 -179.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -100.07 115.61 5.35 Favored Glycine 0 N--CA 1.45 -0.375 0 N-CA-C 110.794 -0.922 . . . . 10.0 110.794 178.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 116' ' ' ASN . . . . . 0.529 ' ND2' ' HA3' ' C' ' 15' ' ' GLY . 65.0 t30 -94.02 166.6 12.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 117.204 0.502 . . . . 10.0 111.801 -178.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 93.4 mttt 64.96 31.65 11.16 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.526 -0.761 . . . . 10.0 111.59 179.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 118' ' ' CYS . . . . . 0.536 ' HA ' ' CD1' ' C' ' 84' ' ' ILE . 90.7 m -73.02 -1.9 19.03 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.578 0.585 . . . . 10.0 112.578 -179.511 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -92.45 -7.78 46.54 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.974 0.416 . . . . 10.0 110.299 179.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 71.0 mt -89.98 135.46 30.18 Favored Pre-proline 0 C--O 1.235 0.319 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.576 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -76.46 168.46 23.74 Favored 'Trans proline' 0 C--O 1.238 0.518 0 C-N-CA 122.877 2.385 . . . . 10.0 112.635 -179.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 12.9 m 58.18 64.66 1.45 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.585 -0.734 . . . . 10.0 111.337 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 123' ' ' ARG . . . . . 0.607 ' HB3' HD12 ' C' ' 84' ' ' ILE . 6.4 ptp180 -84.84 152.43 23.61 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.42 -179.562 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 3.3 p -94.09 -39.34 10.65 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.855 0.36 . . . . 10.0 110.789 179.401 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 125' ' ' VAL . . . . . 0.43 ' HA ' ' OE1' ' C' ' 129' ' ' GLN . 91.8 t -93.06 109.95 22.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-O 120.988 0.423 . . . . 10.0 110.531 179.312 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -69.43 146.64 51.85 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.11 -0.7 . . . . 10.0 109.11 178.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 11.1 m -55.28 -35.48 65.09 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.811 0.338 . . . . 10.0 110.401 179.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 128' ' ' LYS . . . . . 0.546 ' HB3' ' HA ' ' B' ' 47' ' ' ASP . 24.7 mttp -63.57 -49.31 73.89 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 112.999 0.741 . . . . 10.0 112.999 -178.499 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 129' ' ' GLN . . . . . 0.43 ' OE1' ' HA ' ' C' ' 125' ' ' VAL . 5.0 pt20 -63.5 -35.38 80.26 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.693 -0.403 . . . . 10.0 111.217 -179.655 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -69.11 -38.05 78.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.048 0.452 . . . . 10.0 109.784 178.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -67.35 -42.09 84.09 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.745 -0.661 . . . . 10.0 110.099 179.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -62.96 -44.4 96.14 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 116.115 -0.493 . . . . 10.0 111.077 179.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 37.8 tp -61.75 -41.27 97.46 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 116.544 -0.298 . . . . 10.0 110.305 179.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.2 -30.8 71.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.481 179.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 135' ' ' ARG . . . . . 0.606 ' HG2' ' HD3' ' B' ' 165' ' ' LYS . 1.6 tmm_? -64.14 -36.33 83.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.595 179.521 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 14.7 m -80.46 -10.59 59.74 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.027 -0.533 . . . . 10.0 111.22 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 10.2 m-30 -99.88 -31.94 11.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.111 179.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 90.06 13.42 60.56 Favored Glycine 0 C--N 1.332 0.313 0 N-CA-C 111.351 -0.7 . . . . 10.0 111.351 -179.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 43.3 pt -108.52 165.62 12.35 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.554 -0.323 . . . . 10.0 110.481 -179.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -91.67 154.65 3.49 Favored 'Trans proline' 0 CA--C 1.536 0.619 0 C-N-CA 123.051 2.501 . . . . 10.0 112.339 178.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -127.59 131.37 49.96 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.171 -0.468 . . . . 10.0 110.486 -179.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 34.3 mt -131.1 139.63 50.55 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.106 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 143' ' ' GLU . . . . . 0.458 ' HB3' ' SG ' ' C' ' 118' ' ' CYS . 42.4 mt-10 -94.88 116.84 29.22 Favored 'General case' 0 C--O 1.233 0.204 0 N-CA-C 108.984 -0.747 . . . . 10.0 108.984 178.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 144' ' ' THR . . . . . 0.486 HG22 ' HA3' ' C' ' 151' ' ' GLY . 72.6 p -124.42 176.46 6.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.881 0.848 . . . . 10.0 112.92 -178.453 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 12.0 t -157.2 129.15 7.16 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.792 -1.095 . . . . 10.0 108.371 178.206 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -78.19 -25.3 47.07 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.006 0.431 . . . . 10.0 110.076 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 39.6 mtpt -67.95 -52.13 39.62 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.72 -0.673 . . . . 10.0 110.998 179.278 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -85.62 -11.35 54.13 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.453 -0.34 . . . . 10.0 111.067 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 27.9 ttt-85 60.51 34.3 20.41 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.549 0.69 . . . . 10.0 110.599 -179.21 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -97.54 126.73 43.0 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.164 -0.926 . . . . 10.0 111.094 -179.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 151' ' ' GLY . . . . . 0.486 ' HA3' HG22 ' C' ' 144' ' ' THR . . . 83.47 -4.03 83.0 Favored Glycine 0 CA--C 1.52 0.351 0 CA-C-N 115.897 -0.592 . . . . 10.0 113.572 179.098 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 152' ' ' VAL . . . . . 0.421 ' O ' ' HD2' ' C' ' 156' ' ' PHE . 98.8 t -57.78 -52.25 60.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.772 0.32 . . . . 10.0 111.719 -179.15 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -62.53 -50.51 71.07 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.187 -0.46 . . . . 10.0 111.938 -178.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -59.09 -38.97 80.78 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.571 0.582 . . . . 10.0 112.571 -178.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -57.24 -43.94 83.38 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.904 0.383 . . . . 10.0 110.899 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 156' ' ' PHE . . . . . 0.457 ' O ' HG23 ' C' ' 160' ' ' VAL . 61.4 m-85 -73.92 -46.48 44.03 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.778 179.477 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -57.8 -47.79 81.57 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.771 -0.65 . . . . 10.0 111.724 -179.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 158' ' ' THR . . . . . 0.464 ' O ' ' HG2' ' C' ' 162' ' ' GLU . 43.7 m -62.2 -37.95 87.27 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.317 -0.401 . . . . 10.0 111.217 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 159' ' ' LEU . . . . . 0.676 HD22 HD13 ' C' ' 79' ' ' LEU . 54.3 tp -62.17 -43.17 99.43 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 120.996 0.427 . . . . 10.0 109.953 178.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 160' ' ' VAL . . . . . 0.457 HG23 ' O ' ' C' ' 156' ' ' PHE . 84.4 t -63.88 -42.27 95.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.554 0.692 . . . . 10.0 109.376 178.598 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 161' ' ' ARG . . . . . 0.432 ' HD3' ' OD2' ' C' ' 47' ' ' ASP . 6.7 ttp180 -61.5 -37.07 82.34 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.857 -1.065 . . . . 10.0 110.607 179.679 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 162' ' ' GLU . . . . . 0.464 ' HG2' ' O ' ' C' ' 158' ' ' THR . 18.1 mm-40 -69.07 -34.23 74.81 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.743 179.376 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 163' ' ' ILE . . . . . 0.424 HG13 ' O ' ' C' ' 159' ' ' LEU . 71.4 mt -62.37 -45.48 98.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 109.679 -0.489 . . . . 10.0 109.679 178.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 164' ' ' ARG . . . . . 0.555 HH12 ' HB2' ' C' ' 47' ' ' ASP . 94.3 mtt180 -60.97 -45.48 94.59 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.127 -0.694 . . . . 10.0 109.127 178.484 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 29.1 ttmt -53.9 -49.74 67.92 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.083 -0.962 . . . . 10.0 109.989 179.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 166' ' ' HIS . . . . . 0.416 ' CB ' ' HG3' ' C' ' 110' ' ' PRO . 14.8 t-80 -55.37 -47.49 75.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.438 . . . . 10.0 111.298 179.42 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 167' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' C' ' 163' ' ' ILE . 71.8 mttt . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.273 -0.422 . . . . 10.0 111.861 -179.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 7.1 tmtm? . . . . . 0 C--O 1.233 0.229 0 CA-C-O 120.97 0.414 . . . . 10.0 110.965 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 82.1 mt -64.84 -33.73 76.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.812 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 61.7 mt -58.45 -46.14 87.14 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.805 -0.634 . . . . 10.0 111.646 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -80.09 -34.43 37.98 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.566 -0.453 . . . . 10.0 111.454 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 206' ' ' ASN . . . . . 0.442 ' HA ' HD22 ' A' ' 206' ' ' ASN . 6.4 m120 -64.45 -35.26 80.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.023 0.439 . . . . 10.0 110.282 178.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 42.3 t90 -70.2 -27.83 64.81 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.431 -0.581 . . . . 10.0 109.431 178.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -64.08 -38.84 92.54 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.793 -0.639 . . . . 10.0 109.868 179.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.16 -34.96 78.68 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.168 179.132 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 46.4 t -68.89 -40.61 81.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 109.068 -0.716 . . . . 10.0 109.068 178.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 90.3 m -60.64 -44.04 96.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.366 -0.834 . . . . 10.0 110.337 179.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.75 -35.59 81.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.993 0.425 . . . . 10.0 109.914 179.321 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 213' ' ' THR . . . . . 0.445 ' O ' ' HG ' ' A' ' 217' ' ' LEU . 34.9 m -64.81 -44.63 89.27 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.096 -0.705 . . . . 10.0 109.096 178.698 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -59.48 -42.67 92.61 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.178 179.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 19.4 m -60.55 -50.55 73.11 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.824 -0.626 . . . . 10.0 110.293 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 36.3 mmtt -62.41 -33.75 75.4 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.163 -0.472 . . . . 10.0 110.451 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 217' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 213' ' ' THR . 71.4 mt -65.47 -47.35 76.36 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.099 178.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 58.8 mtt85 -64.88 -38.75 92.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.33 -0.396 . . . . 10.0 110.774 179.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -63.54 -24.48 67.83 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.681 179.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -96.95 -33.55 11.55 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.812 -0.631 . . . . 10.0 110.675 179.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 17.6 mt -53.15 -42.6 66.28 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 116.357 -0.383 . . . . 10.0 111.488 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -54.79 -67.32 2.26 Favored Glycine 0 N--CA 1.45 -0.403 0 N-CA-C 111.368 -0.693 . . . . 10.0 111.368 178.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -53.24 -42.93 61.41 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.516 2.144 . . . . 10.0 111.233 178.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 5.7 t -55.57 -52.04 51.59 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 CA-C-N 116.387 -0.369 . . . . 10.0 111.542 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 225' ' ' THR . . . . . 0.543 ' O ' ' HB2' ' A' ' 229' ' ' TRP . 6.6 p -67.03 -37.39 84.03 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.866 -0.334 . . . . 10.0 110.856 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -62.71 -50.36 71.42 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.028 0.442 . . . . 10.0 110.838 179.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -66.8 -41.93 86.76 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.925 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -66.3 -43.72 85.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.425 -0.352 . . . . 10.0 111.339 179.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 229' ' ' TRP . . . . . 0.543 ' HB2' ' O ' ' A' ' 225' ' ' THR . 0.9 OUTLIER -65.1 -38.42 90.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.779 0.323 . . . . 10.0 110.714 179.784 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -60.99 -45.57 94.26 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.291 0.567 . . . . 10.0 109.672 178.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 231' ' ' ASN . . . . . 0.942 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 62.5 m-20 -70.83 -35.56 72.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.483 -0.78 . . . . 10.0 110.256 179.242 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 19.3 mt -65.02 -40.22 94.54 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.469 -0.567 . . . . 10.0 109.469 178.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 233' ' ' GLU . . . . . 0.464 ' HA ' ' OG1' ' A' ' 236' ' ' THR . 2.5 mm-40 -63.09 -34.5 77.73 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.665 179.204 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 234' ' ' LYS . . . . . 0.942 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 50.7 mttt -62.54 -37.4 85.94 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 108.607 -0.886 . . . . 10.0 108.607 178.237 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -72.26 -44.78 62.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.073 -0.967 . . . . 10.0 110.682 178.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 236' ' ' THR . . . . . 0.464 ' OG1' ' HA ' ' A' ' 233' ' ' GLU . 0.0 OUTLIER -63.96 -38.7 92.03 Favored 'General case' 0 CA--C 1.521 -0.143 0 C-N-CA 120.745 -0.382 . . . . 10.0 110.328 179.385 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 237' ' ' GLU . . . . . 0.425 ' HA ' ' HD2' ' A' ' 240' ' ' ARG . 10.2 tt0 -65.24 -42.1 93.7 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 108.873 -0.788 . . . . 10.0 108.873 178.454 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 238' ' ' GLY . . . . . 0.432 ' O ' ' HB2' ' A' ' 242' ' ' GLU . . . -62.66 -40.35 99.06 Favored Glycine 0 N--CA 1.447 -0.576 0 N-CA-C 110.021 -1.232 . . . . 10.0 110.021 178.005 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 13.4 mt -67.74 -34.57 77.1 Favored 'General case' 0 C--O 1.224 -0.272 0 C-N-CA 122.655 0.382 . . . . 10.0 110.662 178.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 240' ' ' ARG . . . . . 0.425 ' HD2' ' HA ' ' A' ' 237' ' ' GLU . 41.4 mtt180 -65.24 -39.69 93.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.101 0.477 . . . . 10.0 109.925 178.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -77.99 -28.03 49.16 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.014 -0.735 . . . . 10.0 109.014 178.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 242' ' ' GLU . . . . . 0.432 ' HB2' ' O ' ' A' ' 238' ' ' GLY . 3.9 tt0 -69.48 -37.2 77.16 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 108.302 -0.999 . . . . 10.0 108.302 178.433 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 243' ' ' MET . . . . . 0.456 ' HG3' HD12 ' A' ' 247' ' ' LEU . 38.1 ttm -60.57 -34.47 74.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.442 -0.799 . . . . 10.0 110.259 178.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 14.7 m -70.15 1.88 4.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.716 -0.674 . . . . 10.0 111.59 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -128.79 -46.98 1.26 Allowed 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.751 -0.659 . . . . 10.0 110.025 178.206 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 246' ' ' ASP . . . . . 0.617 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 19.6 t70 -64.43 -56.24 15.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.339 -0.391 . . . . 10.0 110.839 179.39 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 247' ' ' LEU . . . . . 0.496 ' HA ' HG12 ' A' ' 250' ' ' VAL . 13.6 mt -75.68 -40.63 55.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.387 -0.369 . . . . 10.0 111.6 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -60.49 -51.53 69.06 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.491 -0.322 . . . . 10.0 111.781 -179.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -70.53 -33.42 71.14 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 121.031 -0.268 . . . . 10.0 111.577 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 250' ' ' VAL . . . . . 0.632 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 1.9 p -67.02 -32.15 56.64 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.209 0 C-N-CA 120.889 -0.324 . . . . 10.0 110.881 179.388 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 251' ' ' LYS . . . . . 0.476 ' O ' HG12 ' A' ' 254' ' ' VAL . 95.7 mttt -80.55 -38.14 30.15 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-O 121.025 0.441 . . . . 10.0 110.595 179.146 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -68.41 -39.05 81.75 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.005 -0.543 . . . . 10.0 109.691 178.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 50.3 mttt -80.15 -23.68 40.95 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.718 -0.674 . . . . 10.0 111.32 179.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 254' ' ' VAL . . . . . 0.632 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.3 OUTLIER -62.74 -27.6 43.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 C-N-CA 121.066 -0.254 . . . . 10.0 110.896 -179.59 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 255' ' ' GLN . . . . . 0.475 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 27.6 mt-30 -61.04 -63.61 4.12 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.987 179.391 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 256' ' ' PRO . . . . . 0.475 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 30.0 Cg_endo -65.97 -32.82 43.88 Favored 'Trans proline' 0 C--N 1.355 0.921 0 C-N-CA 121.687 1.591 . . . . 10.0 112.057 178.527 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 4.8 m-30 -62.4 -55.19 30.29 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.871 0.367 . . . . 10.0 110.242 179.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 258' ' ' LEU . . . . . 0.435 ' HG ' HG22 ' A' ' 254' ' ' VAL . 49.6 mt -66.66 -33.5 75.79 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.855 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -62.95 -46.05 89.57 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 109.716 -0.475 . . . . 10.0 109.716 179.027 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -63.0 -47.8 81.57 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.821 -0.627 . . . . 10.0 110.272 179.186 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -61.94 -42.72 99.43 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.978 179.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -65.78 -40.47 92.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.052 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 263' ' ' LYS . . . . . 0.473 ' HE3' ' HB2' ' A' ' 263' ' ' LYS . 14.4 ttmt -61.54 -46.19 91.01 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.017 -0.734 . . . . 10.0 109.017 178.694 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 264' ' ' LYS . . . . . . . . . . . . . 44.9 mttp -61.74 -47.15 86.5 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 115.444 -0.798 . . . . 10.0 109.67 178.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 20.1 m95 -58.71 -42.54 88.91 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 115.681 -0.691 . . . . 10.0 110.782 179.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -59.33 -52.18 66.75 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 110.065 -0.346 . . . . 10.0 110.065 179.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -60.81 -47.1 87.89 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.545 179.108 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 268' ' ' GLU . . . . . 0.413 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 32.5 mt-10 -59.54 -44.1 93.32 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.715 -0.675 . . . . 10.0 111.489 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 82.4 mmm -66.53 -46.07 77.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.284 -0.416 . . . . 10.0 111.111 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -62.52 -41.75 99.06 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.583 -0.28 . . . . 10.0 110.691 179.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 35.3 mt -65.65 -39.58 91.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 10.0 109.897 178.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 272' ' ' TYR . . . . . 0.482 ' HD1' ' HA ' ' A' ' 272' ' ' TYR . 0.1 OUTLIER -63.85 -44.08 94.2 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.292 179.049 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 273' ' ' ARG . . . . . 0.704 ' HA ' HG12 ' A' ' 276' ' ' VAL . 99.5 mtt180 -69.61 -36.5 76.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.39 -0.368 . . . . 10.0 110.965 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -67.51 -17.63 64.74 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.901 -0.591 . . . . 10.0 110.045 178.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 275' ' ' LYS . . . . . 0.575 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 8.0 mptt -101.39 -44.64 5.57 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.663 -0.699 . . . . 10.0 110.808 179.329 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 276' ' ' VAL . . . . . 0.704 HG12 ' HA ' ' A' ' 273' ' ' ARG . 4.2 p -56.31 -34.87 41.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 112.773 0.657 . . . . 10.0 112.773 -178.297 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -64.05 -60.84 7.88 Favored Pre-proline 0 CA--C 1.539 0.542 0 N-CA-C 112.338 0.496 . . . . 10.0 112.338 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -64.59 -35.03 49.83 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 121.927 1.751 . . . . 10.0 111.745 178.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 279' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' A' ' 275' ' ' LYS . 51.5 mt -66.8 -37.86 85.38 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.846 0.355 . . . . 10.0 110.323 179.372 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 280' ' ' ARG . . . . . 0.593 ' HB2' ' O ' ' A' ' 276' ' ' VAL . 8.7 ttt180 -65.17 -33.24 75.54 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.079 -0.712 . . . . 10.0 109.079 179.01 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -64.46 -46.98 80.75 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.06 -0.718 . . . . 10.0 109.06 178.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -60.33 -46.14 90.96 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.259 178.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 95.2 mt -63.38 -43.77 96.65 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 115.625 -0.716 . . . . 10.0 110.898 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -66.25 -51.89 53.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 10.0 111.115 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -61.5 -42.67 99.14 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 120.79 0.329 . . . . 10.0 110.587 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -62.17 -46.26 94.35 Favored Glycine 0 N--CA 1.447 -0.601 0 N-CA-C 110.789 -0.924 . . . . 10.0 110.789 178.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -63.07 -39.95 96.23 Favored 'General case' 0 C--O 1.221 -0.422 0 N-CA-C 109.998 -0.371 . . . . 10.0 109.998 179.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -55.6 -43.84 76.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.424 179.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -74.34 -45.48 46.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.755 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -59.74 -42.45 93.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.301 -0.409 . . . . 10.0 110.544 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 291' ' ' LEU . . . . . 0.663 HD23 HD12 ' A' ' 294' ' ' LEU . 93.8 mt -67.37 -33.1 74.51 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.75 -0.463 . . . . 10.0 109.75 178.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -66.89 -42.02 86.22 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.183 -0.673 . . . . 10.0 109.183 178.073 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.94 -35.12 79.64 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.036 -0.728 . . . . 10.0 109.036 178.02 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 294' ' ' LEU . . . . . 0.663 HD12 HD23 ' A' ' 291' ' ' LEU . 76.9 mt -67.32 -48.75 66.65 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 109.069 -0.715 . . . . 10.0 109.069 178.158 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -59.97 -35.83 75.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.927 -0.579 . . . . 10.0 110.236 179.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -65.61 -7.47 15.18 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.515 -0.766 . . . . 10.0 111.3 179.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . 0.452 ' HD3' ' HA ' ' A' ' 297' ' ' LYS . 16.0 mmtp -120.75 -29.95 4.56 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 120.943 0.401 . . . . 10.0 110.13 178.555 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 298' ' ' LEU . . . . . 0.542 ' HG ' ' O ' ' A' ' 294' ' ' LEU . 91.6 mt -67.89 -32.82 73.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.349 -0.387 . . . . 10.0 111.331 179.462 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 299' ' ' SER . . . . . 0.437 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 12.8 m -74.79 -60.42 1.26 Allowed Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 112.433 0.531 . . . . 10.0 112.433 179.56 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 300' ' ' PRO . . . . . 0.437 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 32.0 Cg_endo -64.91 -53.08 0.99 Allowed 'Trans proline' 0 C--N 1.357 1.021 0 C-N-CA 121.876 1.717 . . . . 10.0 112.809 -179.451 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 301' ' ' LEU . . . . . 0.77 HD13 ' HG2' ' D' ' 473' ' ' LYS . 59.4 mt -68.3 -23.77 64.78 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.81 0.338 . . . . 10.0 110.301 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -73.54 -47.4 21.64 Favored Glycine 0 N--CA 1.448 -0.545 0 N-CA-C 110.545 -1.022 . . . . 10.0 110.545 178.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 303' ' ' GLU . . . . . 0.469 ' OE2' ' HA ' ' A' ' 303' ' ' GLU . 2.9 mm-40 -64.16 -40.44 96.15 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 109.074 -0.713 . . . . 10.0 109.074 178.342 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.16 -42.76 99.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.556 -0.747 . . . . 10.0 109.126 178.435 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 10.3 tpt -59.22 -41.47 88.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.211 179.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 306' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' A' ' 306' ' ' ARG . 63.9 mtt180 -65.93 -41.77 90.92 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.289 179.601 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 307' ' ' ASP . . . . . 0.616 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 20.0 t70 -69.29 -38.4 78.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.169 0.509 . . . . 10.0 110.08 179.208 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -65.79 -42.27 90.93 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.066 -0.716 . . . . 10.0 109.066 178.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 309' ' ' ALA . . . . . 0.588 ' HA ' ' HB2' ' A' ' 312' ' ' HIS . . . -61.52 -31.84 71.86 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.529 -0.76 . . . . 10.0 109.791 178.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 310' ' ' ARG . . . . . 0.616 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 89.6 mtt180 -58.18 -57.78 11.34 Favored 'General case' 0 C--O 1.221 -0.42 0 N-CA-C 109.017 -0.734 . . . . 10.0 109.017 178.446 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -67.64 -36.47 80.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.092 -0.504 . . . . 10.0 110.684 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 312' ' ' HIS . . . . . 0.588 ' HB2' ' HA ' ' A' ' 309' ' ' ALA . 0.2 OUTLIER -53.43 -52.35 59.69 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 115.95 -0.568 . . . . 10.0 109.929 179.397 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 60.4 t -81.28 -36.2 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.455 -0.793 . . . . 10.0 111.758 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 314' ' ' ASP . . . . . 0.544 ' HB2' ' O ' ' A' ' 310' ' ' ARG . 6.8 t70 -54.5 -47.12 73.42 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.699 0.285 . . . . 10.0 111.107 -179.556 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 315' ' ' ALA . . . . . 0.58 ' O ' ' HB2' ' A' ' 319' ' ' HIS . . . -61.39 -41.59 97.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.914 -0.585 . . . . 10.0 110.287 179.438 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 316' ' ' LEU . . . . . 0.47 ' HG ' ' HE3' ' D' ' 462' ' ' LYS . 29.1 mt -69.1 -40.27 78.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.989 -0.551 . . . . 10.0 111.273 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 25.2 ttm105 -65.81 -46.99 76.57 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.976 -0.379 . . . . 10.0 109.976 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 88.9 m -64.68 -35.2 80.27 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.637 -0.505 . . . . 10.0 109.637 179.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 319' ' ' HIS . . . . . 0.58 ' HB2' ' O ' ' A' ' 315' ' ' ALA . 0.1 OUTLIER -73.24 -32.39 64.7 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.15 -0.477 . . . . 10.0 110.186 179.488 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 320' ' ' LEU . . . . . 0.505 ' HA ' ' HB2' ' A' ' 323' ' ' TYR . 1.4 mt -74.24 -22.73 59.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.789 -0.641 . . . . 10.0 111.807 -179.682 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 321' ' ' ALA . . . . . 0.729 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -54.67 -58.57 13.65 Favored Pre-proline 0 CA--C 1.536 0.411 0 N-CA-C 112.108 0.41 . . . . 10.0 112.108 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 322' ' ' PRO . . . . . 0.729 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 12.7 Cg_exo -73.94 -28.13 11.49 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 121.909 1.739 . . . . 10.0 110.747 178.695 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 323' ' ' TYR . . . . . 0.505 ' HB2' ' HA ' ' A' ' 320' ' ' LEU . 8.4 m-30 -63.99 -51.35 64.72 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.076 -0.511 . . . . 10.0 111.187 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 324' ' ' SER . . . . . 0.469 ' HA ' ' HB2' ' A' ' 327' ' ' LEU . 35.0 p -68.3 -35.85 78.44 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.879 0.371 . . . . 10.0 110.186 179.561 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -59.27 -49.86 76.2 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.399 -0.593 . . . . 10.0 109.399 178.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -72.88 -24.56 60.87 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.696 -0.684 . . . . 10.0 110.768 179.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . 0.469 ' HB2' ' HA ' ' A' ' 324' ' ' SER . 7.0 mt -64.55 -36.04 82.91 Favored 'General case' 0 CA--C 1.52 -0.188 0 N-CA-C 108.86 -0.793 . . . . 10.0 108.86 177.468 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 328' ' ' ARG . . . . . 0.468 ' HG3' ' O ' ' A' ' 324' ' ' SER . 63.7 mtt180 -65.34 -37.01 85.77 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 108.768 -0.827 . . . . 10.0 108.768 178.122 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -70.32 -37.38 74.7 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.539 -0.755 . . . . 10.0 109.39 178.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 330' ' ' ARG . . . . . 0.43 HH21 ' CB ' ' D' ' 447' ' ' GLU . 16.7 mtt-85 -62.91 -47.67 82.25 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 108.342 -0.985 . . . . 10.0 108.342 177.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 48.2 mt -61.15 -41.2 96.33 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 115.074 -0.966 . . . . 10.0 109.687 178.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -60.88 -48.35 82.22 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.017 179.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -59.9 -46.21 90.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.458 -0.337 . . . . 10.0 110.519 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -63.3 -45.58 90.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.042 -0.527 . . . . 10.0 109.916 179.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 53.8 mt -63.77 -40.95 97.94 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.494 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -62.14 -40.93 97.61 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.71 -0.478 . . . . 10.0 109.71 179.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 337' ' ' ALA . . . . . 0.404 ' O ' ' HB3' ' A' ' 341' ' ' ASN . . . -65.89 -40.76 91.86 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.07 -0.715 . . . . 10.0 109.07 178.244 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 338' ' ' LEU . . . . . 0.58 ' O ' ' HA3' ' A' ' 342' ' ' GLY . 83.5 mt -74.6 -7.01 51.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.645 -0.707 . . . . 10.0 110.656 179.324 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 54.3 mttt -96.3 -53.06 3.75 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.507 -0.553 . . . . 10.0 109.507 179.045 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -66.38 -58.54 5.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.927 -0.579 . . . . 10.0 109.831 179.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 341' ' ' ASN . . . . . 0.485 ' O ' ' HG3' ' A' ' 345' ' ' ARG . 26.7 t-20 -70.52 -36.2 73.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.716 -0.675 . . . . 10.0 109.698 179.444 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 342' ' ' GLY . . . . . 0.58 ' HA3' ' O ' ' A' ' 338' ' ' LEU . . . -59.27 -44.73 96.28 Favored Glycine 0 C--N 1.335 0.514 0 CA-C-N 115.769 -0.65 . . . . 10.0 111.57 179.334 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -62.16 -39.78 98.1 Favored Glycine 0 N--CA 1.45 -0.381 0 N-CA-C 110.697 -0.961 . . . . 10.0 110.697 178.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -64.37 -40.62 96.2 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.821 -0.437 . . . . 10.0 109.821 178.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 345' ' ' ARG . . . . . 0.485 ' HG3' ' O ' ' A' ' 341' ' ' ASN . 46.8 mtm180 -62.05 -41.38 98.07 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 115.898 -0.592 . . . . 10.0 109.886 178.732 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 70.6 mt -63.27 -49.28 74.67 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.138 -0.483 . . . . 10.0 109.81 179.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.41 -41.62 89.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.094 179.206 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 348' ' ' GLU . . . . . 0.431 ' OE1' ' HB2' ' D' ' 429' ' ' ASN . 16.5 mt-10 -65.58 -45.94 81.33 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.867 -0.606 . . . . 10.0 110.147 178.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 5.4 m-30 -60.35 -41.72 94.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.355 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 48.4 m-70 -66.18 -42.2 89.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.481 179.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -63.65 -44.04 95.01 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.033 0.444 . . . . 10.0 110.102 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 10.9 mtmm -66.16 -34.67 78.56 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 115.721 -0.672 . . . . 10.0 109.863 178.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . 0.423 ' O ' ' HG ' ' A' ' 357' ' ' LEU . . . -63.17 -40.31 97.17 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.44 -0.578 . . . . 10.0 109.44 178.674 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 2.6 m -64.28 -35.91 82.37 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.57 -0.53 . . . . 10.0 109.57 178.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -66.27 -36.83 84.0 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 109.243 -0.651 . . . . 10.0 109.243 178.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 45.2 m-70 -73.26 -27.77 61.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.417 -0.811 . . . . 10.0 109.984 178.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 357' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 353' ' ' ALA . 79.6 mt -74.41 -42.11 59.76 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.992 -0.549 . . . . 10.0 111.664 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 1.4 p -64.85 -43.02 94.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.067 0.461 . . . . 10.0 110.057 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 359' ' ' THR . . . . . 0.579 HG21 ' HG3' ' D' ' 418' ' ' GLN . 4.3 p -71.24 -25.98 62.71 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.932 -0.576 . . . . 10.0 109.558 178.581 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 38.0 tp -69.77 -31.05 68.78 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 108.569 -0.9 . . . . 10.0 108.569 177.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 15.5 m -63.07 -32.43 73.8 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.839 -0.619 . . . . 10.0 109.975 178.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -68.55 -22.16 64.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.633 0.73 . . . . 10.0 109.358 179.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 363' ' ' LYS . . . . . 0.665 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 92.0 mttt -92.17 -40.77 10.82 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.469 -0.787 . . . . 10.0 109.124 178.656 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -67.64 -35.01 78.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.744 -0.662 . . . . 10.0 112.203 -179.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 365' ' ' LYS . . . . . 0.78 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 41.3 mtmt -105.94 -74.42 0.02 OUTLIER Pre-proline 0 C--N 1.327 -0.4 0 N-CA-C 113.497 0.925 . . . . 10.0 113.497 -179.708 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 366' ' ' PRO . . . . . 0.78 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 52.3 Cg_exo -54.66 -49.53 16.48 Favored 'Trans proline' 0 C--N 1.357 0.998 0 C-N-CA 122.324 2.016 . . . . 10.0 113.817 -179.14 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 367' ' ' ALA . . . . . 0.665 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -66.87 -56.95 8.05 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.262 0.468 . . . . 10.0 112.262 -179.479 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 368' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 368' ' ' LEU . 18.3 mt -55.81 -43.14 76.62 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 112.405 0.52 . . . . 10.0 112.405 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -60.69 -51.3 69.94 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.639 -0.504 . . . . 10.0 109.639 179.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.52 -39.35 90.7 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.979 -0.555 . . . . 10.0 111.325 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 71.7 mt -61.83 -49.07 77.77 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.961 -0.563 . . . . 10.0 109.9 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -64.24 -36.15 83.15 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.158 -0.473 . . . . 10.0 110.607 179.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -65.86 -19.19 65.79 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 121.062 0.458 . . . . 10.0 110.472 178.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -97.75 -32.4 6.26 Favored Glycine 0 N--CA 1.447 -0.609 0 N-CA-C 110.915 -0.874 . . . . 10.0 110.915 178.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 84.8 mt -68.84 -35.98 77.6 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 111.653 0.242 . . . . 10.0 111.653 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 20.5 mt -56.26 -59.23 12.52 Favored Pre-proline 0 N--CA 1.468 0.466 0 N-CA-C 112.987 0.736 . . . . 10.0 112.987 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -60.46 -32.82 94.22 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 121.918 1.746 . . . . 10.0 111.029 178.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 25.2 t -67.38 -40.12 84.05 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 N-CA-C 109.586 -0.524 . . . . 10.0 109.586 178.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 20.7 mt -62.54 -40.52 97.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.979 -0.555 . . . . 10.0 109.847 178.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 380' ' ' GLU . . . . . 0.494 ' O ' HG23 ' A' ' 384' ' ' VAL . 35.2 mm-40 -61.46 -43.33 99.05 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 109.323 -0.621 . . . . 10.0 109.323 178.381 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 12.3 m -64.65 -38.81 92.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.733 -0.667 . . . . 10.0 109.684 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -68.11 -35.77 78.67 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.809 -0.632 . . . . 10.0 110.586 178.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 383' ' ' LYS . . . . . 0.415 ' O ' ' HG ' ' A' ' 387' ' ' LEU . 87.9 mttt -59.5 -47.71 84.47 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 109.354 -0.61 . . . . 10.0 109.354 178.442 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 384' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 380' ' ' GLU . 34.7 t -60.71 -48.16 89.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.66 -0.7 . . . . 10.0 109.337 178.658 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 15.3 m -57.83 -41.3 82.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.732 -0.667 . . . . 10.0 110.852 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -64.24 -44.19 92.61 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.424 179.079 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 387' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 383' ' ' LYS . 94.8 mt -58.29 -50.41 73.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.479 -0.782 . . . . 10.0 110.775 -179.687 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 388' ' ' SER . . . . . 0.881 ' HB2' ' HG2' ' D' ' 594' ' ' LYS . 2.0 p -67.21 -38.26 84.99 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 116.21 -0.45 . . . . 10.0 111.475 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -63.2 -48.17 79.46 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 120.598 0.237 . . . . 10.0 110.9 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 54.8 mt -60.56 -43.29 97.44 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.247 -0.433 . . . . 10.0 109.935 179.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -61.86 -50.09 73.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.525 -0.761 . . . . 10.0 110.623 179.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 392' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' ' 388' ' ' SER . 49.5 mm-40 -54.45 -56.08 22.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.109 -0.496 . . . . 10.0 111.945 -179.527 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -57.21 -43.35 82.67 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.586 0.587 . . . . 10.0 112.586 -179.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 10.9 m -73.36 -29.74 62.85 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.467 0.543 . . . . 10.0 112.467 -179.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 41.1 mtmt -70.53 -36.63 73.83 Favored 'General case' 0 N--CA 1.464 0.228 0 O-C-N 122.272 -0.268 . . . . 10.0 111.705 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 3.3 mptt -87.71 -46.39 9.53 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.779 0.659 . . . . 10.0 112.779 -179.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 75.4 mt -76.55 -26.16 54.84 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.071 0.767 . . . . 10.0 113.071 -178.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 54.8 t30 . . . . . 0 C--N 1.327 -0.385 0 N-CA-C 112.08 0.4 . . . . 10.0 112.08 -178.959 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 2.9 mm? . . . . . 0 CA--C 1.523 -0.075 0 CA-C-O 121.517 0.675 . . . . 10.0 110.467 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -86.37 19.15 2.87 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.407 -0.815 . . . . 10.0 110.221 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 22.6 mt -61.59 -48.91 78.81 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.242 -0.89 . . . . 10.0 110.971 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 91.5 mt -66.95 -34.18 77.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.793 0.33 . . . . 10.0 111.126 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -62.33 -49.96 73.54 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.568 -0.53 . . . . 10.0 109.568 179.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -68.74 -40.95 79.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.424 -0.807 . . . . 10.0 110.235 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 12.6 t90 -55.57 -42.23 74.41 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.672 -0.695 . . . . 10.0 110.427 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -61.07 -50.29 73.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.052 -0.522 . . . . 10.0 111.161 179.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 19.6 m -60.53 -41.39 94.37 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.463 -0.335 . . . . 10.0 111.187 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 88.5 t -65.26 -45.8 92.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.814 0.34 . . . . 10.0 110.377 179.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 409' ' ' THR . . . . . 0.536 ' HA ' ' HD2' ' D' ' 412' ' ' PHE . 20.5 m -64.25 -34.25 77.68 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.914 -0.402 . . . . 10.0 109.914 179.065 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 68.7 m -67.62 -27.22 66.71 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.466 -0.568 . . . . 10.0 109.466 178.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 24.1 m -69.72 -35.81 75.35 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.385 -0.969 . . . . 10.0 108.385 177.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 412' ' ' PHE . . . . . 0.536 ' HD2' ' HA ' ' D' ' 409' ' ' THR . 25.7 m-85 -66.26 -35.93 81.68 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 108.929 -0.767 . . . . 10.0 108.929 178.145 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 3.4 m -64.3 -38.78 92.26 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 108.608 -0.886 . . . . 10.0 108.608 177.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 414' ' ' LYS . . . . . 0.422 ' HD3' ' HA ' ' D' ' 414' ' ' LYS . 47.0 mmtt -64.58 -34.19 77.68 Favored 'General case' 0 CA--C 1.522 -0.117 0 CA-C-N 115.912 -0.585 . . . . 10.0 109.474 178.614 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 415' ' ' LEU . . . . . 0.471 ' O ' ' HG ' ' D' ' 419' ' ' LEU . 76.4 mt -65.98 -39.57 90.47 Favored 'General case' 0 N--CA 1.453 -0.325 0 N-CA-C 108.913 -0.773 . . . . 10.0 108.913 178.447 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 36.4 mtt180 -69.26 -34.15 74.33 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.72 -0.673 . . . . 10.0 110.136 178.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -62.41 -29.65 70.65 Favored 'General case' 0 C--O 1.227 -0.103 0 N-CA-C 109.306 -0.627 . . . . 10.0 109.306 177.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 418' ' ' GLN . . . . . 0.579 ' HG3' HG21 ' A' ' 359' ' ' THR . 35.0 mt-30 -83.45 -52.96 6.06 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.734 -0.839 . . . . 10.0 108.734 178.568 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 419' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' D' ' 415' ' ' LEU . 87.5 mt -44.81 -47.94 10.98 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 115.28 -0.873 . . . . 10.0 112.87 -179.019 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -50.41 -79.16 0.08 OUTLIER Glycine 0 CA--C 1.523 0.535 0 C-N-CA 121.126 -0.559 . . . . 10.0 113.326 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -57.3 -39.84 86.8 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.872 2.381 . . . . 10.0 112.649 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 37.2 t -60.02 -50.68 79.23 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.198 0 N-CA-C 112.434 0.531 . . . . 10.0 112.434 -179.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 423' ' ' THR . . . . . 0.555 ' HA ' ' HB3' ' D' ' 426' ' ' PHE . 59.9 p -65.98 -30.49 71.05 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 120.51 -0.476 . . . . 10.0 111.74 -179.567 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -59.84 -45.32 92.79 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 120.963 0.411 . . . . 10.0 110.293 179.115 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -86.62 -21.67 26.63 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.791 178.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 426' ' ' PHE . . . . . 0.555 ' HB3' ' HA ' ' D' ' 423' ' ' THR . 49.7 t80 -64.81 -41.36 95.84 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.58 -0.896 . . . . 10.0 108.58 178.368 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 21.1 m0 -69.73 -37.3 76.45 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.792 -0.818 . . . . 10.0 108.792 178.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 428' ' ' ASP . . . . . 0.474 ' O ' ' HB2' ' D' ' 432' ' ' LYS . 32.2 t70 -63.41 -38.89 92.91 Favored 'General case' 0 CA--C 1.519 -0.227 0 N-CA-C 108.683 -0.858 . . . . 10.0 108.683 178.259 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 429' ' ' ASN . . . . . 0.431 ' HB2' ' OE1' ' A' ' 348' ' ' GLU . 4.8 t30 -66.56 -48.34 69.96 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.327 -0.851 . . . . 10.0 109.197 178.097 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 58.0 mt -56.18 -50.54 70.9 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.395 179.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -59.48 -44.38 93.05 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.077 -0.511 . . . . 10.0 109.819 179.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 432' ' ' LYS . . . . . 0.511 ' HZ2' ' HB2' ' D' ' 432' ' ' LYS . 0.8 OUTLIER -58.15 -46.73 85.15 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.806 -0.634 . . . . 10.0 110.229 178.938 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -60.9 -53.7 54.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.45 -0.795 . . . . 10.0 110.47 179.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 6.0 p -59.22 -38.8 80.82 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-N 116.475 -0.33 . . . . 10.0 111.591 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -65.5 -43.89 88.74 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 116.821 -0.172 . . . . 10.0 110.837 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -67.16 -39.64 92.58 Favored Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 110.611 -0.996 . . . . 10.0 110.611 178.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 437' ' ' LEU . . . . . 0.459 ' O ' ' HG3' ' D' ' 440' ' ' GLU . 94.0 mt -68.62 -28.17 66.67 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-O 120.738 0.304 . . . . 10.0 110.942 179.174 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 43.9 mtt180 -66.91 -25.13 66.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.575 -0.284 . . . . 10.0 111.189 179.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -70.84 -48.06 55.99 Favored 'General case' 0 C--O 1.232 0.169 0 N-CA-C 109.559 -0.534 . . . . 10.0 109.559 178.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 440' ' ' GLU . . . . . 0.567 ' O ' ' HB2' ' D' ' 444' ' ' ASP . 0.0 OUTLIER -73.98 -26.11 60.28 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.242 178.908 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' D' D ' 441' ' ' MET . . . . . 0.416 ' HB2' ' O ' ' D' ' 437' ' ' LEU . 5.8 mmm -71.22 -44.6 65.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.914 -0.585 . . . . 10.0 111.8 179.625 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 10.8 p -61.91 -45.34 94.16 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.32 -0.622 . . . . 10.0 109.32 179.367 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 4.3 mtpp -65.35 -39.47 92.38 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.472 -0.786 . . . . 10.0 109.994 178.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 444' ' ' ASP . . . . . 0.567 ' HB2' ' O ' ' D' ' 440' ' ' GLU . 3.0 t70 -61.0 -51.96 67.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.399 179.605 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 73.6 mt -60.18 -50.3 74.23 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.28 0.474 . . . . 10.0 112.28 -179.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -63.98 -41.03 97.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.644 0.259 . . . . 10.0 111.166 -179.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 447' ' ' GLU . . . . . 0.43 ' CB ' HH21 ' A' ' 330' ' ' ARG . 20.2 mt-10 -66.11 -38.02 87.17 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 109.755 -0.461 . . . . 10.0 109.755 178.635 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 2.3 t -58.31 -44.3 87.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.014 -0.539 . . . . 10.0 109.608 178.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -65.81 -31.06 71.81 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.068 -0.515 . . . . 10.0 110.885 179.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -89.72 -8.22 52.81 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.609 0.596 . . . . 10.0 112.609 -179.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 451' ' ' LYS . . . . . 0.465 ' O ' ' HB2' ' D' ' 455' ' ' TYR . 54.2 mttm -114.02 -44.61 3.13 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.042 0.386 . . . . 10.0 112.042 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 55.9 t -62.63 -38.91 82.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.496 -0.32 . . . . 10.0 111.155 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -58.8 -60.16 11.35 Favored Pre-proline 0 C--N 1.33 -0.262 0 N-CA-C 112.485 0.55 . . . . 10.0 112.485 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -63.85 -25.7 67.6 Favored 'Trans proline' 0 C--N 1.353 0.814 0 C-N-CA 121.965 1.777 . . . . 10.0 111.435 178.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 455' ' ' TYR . . . . . 0.465 ' HB2' ' O ' ' D' ' 451' ' ' LYS . 1.5 t80 -72.59 -40.02 66.89 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.027 -0.731 . . . . 10.0 109.027 178.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 34.2 mt -66.99 -35.5 80.09 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 109.083 -0.71 . . . . 10.0 109.083 178.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -69.7 -41.62 75.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.374 -0.83 . . . . 10.0 109.339 178.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -62.4 -44.62 96.02 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 108.544 -0.909 . . . . 10.0 108.544 177.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 459' ' ' PHE . . . . . 0.45 ' HD2' ' HA ' ' D' ' 459' ' ' PHE . 1.2 m-30 -64.7 -40.84 96.06 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.322 -0.854 . . . . 10.0 109.966 178.147 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 460' ' ' GLN . . . . . 0.508 ' O ' ' HB2' ' D' ' 464' ' ' GLN . 6.3 mt-30 -58.45 -40.61 83.09 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.317 179.231 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 461' ' ' LYS . . . . . 0.406 ' O ' ' HG3' ' D' ' 465' ' ' GLU . 51.9 mttt -68.42 -42.89 78.27 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.302 179.17 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 462' ' ' LYS . . . . . 0.47 ' HE3' ' HG ' ' A' ' 316' ' ' LEU . 2.1 ttmm -65.44 -45.34 84.2 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.892 -0.595 . . . . 10.0 110.345 179.705 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 50.1 m0 -68.45 -30.1 68.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.019 178.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 464' ' ' GLN . . . . . 0.508 ' HB2' ' O ' ' D' ' 460' ' ' GLN . 44.2 tt0 -65.73 -49.12 69.61 Favored 'General case' 0 CA--C 1.514 -0.419 0 N-CA-C 108.272 -1.01 . . . . 10.0 108.272 178.27 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 465' ' ' GLU . . . . . 0.734 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 77.5 mt-10 -61.89 -44.95 95.76 Favored 'General case' 0 C--O 1.223 -0.342 0 N-CA-C 108.449 -0.945 . . . . 10.0 108.449 177.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 31.1 tp10 -54.26 -47.84 71.84 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.478 -0.783 . . . . 10.0 110.196 179.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 66.9 mtm -65.72 -42.7 90.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.048 -0.524 . . . . 10.0 110.398 179.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -61.84 -38.27 87.58 Favored 'General case' 0 C--N 1.334 -0.075 0 N-CA-C 109.487 -0.56 . . . . 10.0 109.487 178.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 469' ' ' LEU . . . . . 0.734 ' HG ' ' O ' ' D' ' 465' ' ' GLU . 77.2 mt -61.25 -40.51 94.34 Favored 'General case' 0 C--O 1.218 -0.574 0 N-CA-C 109.351 -0.611 . . . . 10.0 109.351 178.369 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 23.4 m-30 -65.17 -32.06 73.56 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.588 179.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 471' ' ' ARG . . . . . 0.477 ' HA ' ' HG3' ' D' ' 475' ' ' GLU . 99.4 mtt180 -71.98 -27.22 62.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 10.0 110.011 178.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -103.39 4.66 36.48 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.01 -0.541 . . . . 10.0 111.294 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 473' ' ' LYS . . . . . 0.77 ' HG2' HD13 ' A' ' 301' ' ' LEU . 82.3 mttt -131.57 -73.29 0.53 Allowed 'General case' 0 C--O 1.221 -0.402 0 CA-C-N 116.473 -0.331 . . . . 10.0 110.681 179.421 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 474' ' ' VAL . . . . . 0.529 ' O ' ' HB2' ' D' ' 478' ' ' ARG . 95.5 t -52.07 -44.55 39.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.445 -0.343 . . . . 10.0 111.736 -179.627 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 475' ' ' GLU . . . . . 0.477 ' HG3' ' HA ' ' D' ' 471' ' ' ARG . 4.8 mm-40 -59.68 -61.53 7.7 Favored Pre-proline 0 CA--C 1.537 0.468 0 N-CA-C 112.786 0.661 . . . . 10.0 112.786 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -64.23 -36.23 47.56 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 121.592 1.528 . . . . 10.0 112.049 178.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 65.4 mt -65.67 -37.1 85.56 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 110.103 -0.332 . . . . 10.0 110.103 179.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 478' ' ' ARG . . . . . 0.529 ' HB2' ' O ' ' D' ' 474' ' ' VAL . 1.2 ttt180 -63.32 -33.18 74.96 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 109.573 -0.528 . . . . 10.0 109.573 178.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -74.02 -46.59 42.56 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.868 -0.605 . . . . 10.0 109.485 179.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.79 -44.46 96.79 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.4 0.619 . . . . 10.0 109.772 178.71 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 63.4 mt -68.13 -33.34 74.31 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.656 -0.702 . . . . 10.0 110.46 179.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -67.5 -45.42 75.86 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.319 -0.623 . . . . 10.0 109.319 178.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -64.88 -44.18 90.51 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.805 -0.634 . . . . 10.0 109.382 178.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -64.54 -34.33 89.61 Favored Glycine 0 N--CA 1.45 -0.425 0 N-CA-C 111.212 -0.755 . . . . 10.0 111.212 178.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -68.73 -39.5 80.37 Favored 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 109.291 -0.633 . . . . 10.0 109.291 178.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 83.8 mtt180 -63.65 -36.84 85.17 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 108.883 -0.784 . . . . 10.0 108.883 178.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -67.43 -43.41 81.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.481 -0.781 . . . . 10.0 108.935 177.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 488' ' ' LYS . . . . . 0.407 ' O ' ' HG ' ' D' ' 492' ' ' LEU . 84.0 tttt -62.96 -39.79 95.73 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.805 -0.634 . . . . 10.0 109.597 178.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 84.2 mt -66.16 -38.34 87.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.702 -0.681 . . . . 10.0 109.266 178.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 9.0 t-160 -63.38 -42.85 98.86 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 108.775 -0.824 . . . . 10.0 108.775 178.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -58.79 -44.52 90.73 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 108.841 -0.8 . . . . 10.0 108.841 178.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 492' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' D' ' 488' ' ' LYS . 92.0 mt -64.59 -42.91 95.28 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.31 -0.859 . . . . 10.0 110.66 179.633 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -59.95 -38.62 83.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.002 0.43 . . . . 10.0 110.827 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 -75.27 -0.98 21.41 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 115.88 -0.6 . . . . 10.0 111.189 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 495' ' ' LYS . . . . . 0.592 ' O ' ' HB2' ' D' ' 499' ' ' LEU . 18.9 mttp -116.7 -43.17 2.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.761 0.315 . . . . 10.0 110.724 179.018 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 496' ' ' LEU . . . . . 0.552 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 78.1 mt -65.04 -20.07 66.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.257 -0.428 . . . . 10.0 111.601 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 497' ' ' SER . . . . . 0.541 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 7.9 m -83.28 -67.08 0.2 Allowed Pre-proline 0 C--N 1.326 -0.429 0 N-CA-C 111.847 0.314 . . . . 10.0 111.847 179.001 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 498' ' ' PRO . . . . . 0.541 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 36.6 Cg_endo -65.57 -51.01 1.53 Allowed 'Trans proline' 0 C--N 1.357 1.002 0 C-N-CA 121.6 1.533 . . . . 10.0 112.136 179.74 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 499' ' ' LEU . . . . . 0.592 ' HB2' ' O ' ' D' ' 495' ' ' LYS . 58.1 mt -70.05 -28.85 65.8 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 109.9 -0.408 . . . . 10.0 109.9 179.513 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 500' ' ' GLY . . . . . 0.552 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -65.21 -53.1 35.09 Favored Glycine 0 N--CA 1.445 -0.749 0 N-CA-C 110.53 -1.028 . . . . 10.0 110.53 178.746 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -63.9 -35.77 81.74 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.899 -0.408 . . . . 10.0 109.899 179.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 502' ' ' GLU . . . . . 0.502 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 27.9 tt0 -63.74 -47.16 82.16 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.787 -0.642 . . . . 10.0 109.69 178.403 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 503' ' ' MET . . . . . 0.511 ' HA ' ' HD2' ' D' ' 506' ' ' ARG . 79.2 mmm -62.51 -37.02 84.42 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 178.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 504' ' ' ARG . . . . . 0.507 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 77.3 mtt180 -66.16 -42.5 88.91 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.243 -0.651 . . . . 10.0 109.243 178.698 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -66.89 -37.52 84.53 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.87 -0.605 . . . . 10.0 109.87 179.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 506' ' ' ARG . . . . . 0.511 ' HD2' ' HA ' ' D' ' 503' ' ' MET . 60.6 mtt180 -59.82 -48.12 82.98 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 107.871 -1.159 . . . . 10.0 107.871 177.578 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -63.72 -35.73 81.53 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.027 -0.988 . . . . 10.0 110.243 179.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 508' ' ' ARG . . . . . 0.513 ' O ' ' HB2' ' D' ' 512' ' ' ASP . 48.6 mtt180 -61.3 -48.89 79.31 Favored 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 108.693 -0.854 . . . . 10.0 108.693 178.537 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -64.69 -37.08 86.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.413 179.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 510' ' ' HIS . . . . . 0.443 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 4.0 m-70 -62.66 -53.73 50.08 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.377 179.039 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 62.0 t -66.79 -35.16 74.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.688 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 512' ' ' ASP . . . . . 0.513 ' HB2' ' O ' ' D' ' 508' ' ' ARG . 8.0 t0 -60.66 -44.0 96.95 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.194 -0.669 . . . . 10.0 109.194 178.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -70.63 -43.45 69.24 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.351 -0.841 . . . . 10.0 109.66 178.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 514' ' ' LEU . . . . . 0.603 ' HA ' ' HB2' ' D' ' 517' ' ' HIS . 74.1 mt -59.03 -34.5 71.98 Favored 'General case' 0 C--O 1.225 -0.191 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.375 179.568 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 515' ' ' ARG . . . . . . . . . . . . . 6.3 mtm105 -66.88 -20.77 65.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.402 0.62 . . . . 10.0 110.135 178.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.89 11.33 22.34 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.631 -0.713 . . . . 10.0 109.29 179.037 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 517' ' ' HIS . . . . . 0.603 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 17.5 m170 -118.67 -59.6 1.85 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.415 -0.811 . . . . 10.0 110.181 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 69.0 mt -72.93 -50.57 22.79 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.748 -0.66 . . . . 10.0 111.977 -178.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 519' ' ' ALA . . . . . 0.689 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -54.81 -57.46 19.15 Favored Pre-proline 0 C--N 1.329 -0.293 0 N-CA-C 112.156 0.428 . . . . 10.0 112.156 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 520' ' ' PRO . . . . . 0.689 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 53.2 Cg_exo -60.23 -33.63 94.6 Favored 'Trans proline' 0 C--N 1.357 1.002 0 C-N-CA 122.115 1.877 . . . . 10.0 111.456 178.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 521' ' ' TYR . . . . . 0.535 ' HA ' ' OE1' ' D' ' 524' ' ' GLU . 14.2 t80 -70.6 -36.11 73.35 Favored 'General case' 0 CA--C 1.518 -0.262 0 C-N-CA 120.783 -0.367 . . . . 10.0 110.202 179.464 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 49.2 m -65.97 -30.12 70.63 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.137 -0.69 . . . . 10.0 109.137 178.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.24 -41.41 90.04 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.648 -0.871 . . . . 10.0 108.648 178.392 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 524' ' ' GLU . . . . . 0.535 ' OE1' ' HA ' ' D' ' 521' ' ' TYR . 5.6 mt-10 -72.58 -33.46 66.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.44 -0.8 . . . . 10.0 109.386 178.302 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 53.9 mt -65.6 -33.97 77.14 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 115.587 -0.733 . . . . 10.0 109.224 177.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 526' ' ' ARG . . . . . . . . . . . . . 52.4 mtt180 -62.87 -33.8 76.03 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.311 178.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -70.56 -43.94 68.44 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.106 -0.701 . . . . 10.0 109.106 178.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 528' ' ' ARG . . . . . 0.617 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 62.2 mtt180 -65.7 -40.09 91.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.529 -0.76 . . . . 10.0 109.507 179.04 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 23.0 mt -65.62 -38.84 90.57 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.631 -0.713 . . . . 10.0 109.858 178.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -60.94 -45.42 94.77 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.802 -0.444 . . . . 10.0 109.802 179.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -68.19 -42.68 79.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.963 -0.562 . . . . 10.0 109.957 178.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 34.7 ttm180 -60.4 -49.37 77.86 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.746 -0.661 . . . . 10.0 109.986 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 82.9 mt -65.32 -36.81 85.2 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.388 179.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -59.48 -47.36 85.81 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.889 -0.782 . . . . 10.0 108.889 179.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -65.89 -45.6 81.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.691 -0.686 . . . . 10.0 110.509 178.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 69.3 mt -59.64 -40.32 87.27 Favored 'General case' 0 C--O 1.226 -0.152 0 CA-C-N 116.372 -0.376 . . . . 10.0 111.529 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 537' ' ' LYS . . . . . 0.431 ' HB2' ' HE3' ' D' ' 537' ' ' LYS . 19.1 mtmt -72.57 -39.36 67.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.759 0.314 . . . . 10.0 110.406 179.147 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -64.96 -54.45 30.35 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.497 179.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -67.94 -33.1 74.03 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.438 -0.578 . . . . 10.0 109.438 179.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 540' ' ' GLY . . . . . 0.466 ' O ' ' HG ' ' D' ' 544' ' ' LEU . . . -63.27 -45.79 94.4 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 111.33 -0.708 . . . . 10.0 111.33 179.292 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -60.01 -42.46 98.38 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.671 -0.776 . . . . 10.0 111.194 179.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -66.75 -49.72 65.04 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.733 -0.469 . . . . 10.0 109.733 178.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 543' ' ' ARG . . . . . 0.443 ' O ' ' HB2' ' D' ' 547' ' ' TYR . 49.2 mtt85 -58.05 -37.24 74.04 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.922 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 544' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' D' ' 540' ' ' GLY . 74.2 mt -62.29 -47.44 84.28 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.937 -0.394 . . . . 10.0 109.937 178.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -63.27 -43.71 97.18 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.869 -0.605 . . . . 10.0 109.728 179.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -63.75 -46.67 84.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.396 179.019 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 547' ' ' TYR . . . . . 0.443 ' HB2' ' O ' ' D' ' 543' ' ' ARG . 0.9 OUTLIER -60.16 -43.97 95.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.453 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -64.24 -42.88 96.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.94 -0.573 . . . . 10.0 109.782 178.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -61.52 -47.78 84.02 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.579 -0.526 . . . . 10.0 109.579 178.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.17 -37.16 84.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.787 -0.642 . . . . 10.0 109.86 179.029 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -66.73 -34.3 77.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.193 178.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 5.7 m -69.5 -39.2 77.76 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.352 -0.61 . . . . 10.0 109.352 178.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -68.01 -43.63 78.39 Favored 'General case' 0 C--O 1.231 0.128 0 N-CA-C 108.391 -0.966 . . . . 10.0 108.391 177.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 554' ' ' HIS . . . . . 0.585 ' O ' ' HG ' ' D' ' 558' ' ' LEU . 15.8 t60 -60.9 -39.26 88.65 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.08 -0.964 . . . . 10.0 109.097 179.15 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 555' ' ' LEU . . . . . 0.618 ' HA ' HD12 ' D' ' 558' ' ' LEU . 42.4 tp -62.57 -41.32 98.85 Favored 'General case' 0 CA--C 1.521 -0.138 0 CA-C-N 115.55 -0.75 . . . . 10.0 109.934 178.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 68.8 m -63.16 -43.28 98.75 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.275 -0.639 . . . . 10.0 109.275 178.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 6.3 m -64.2 -38.26 90.41 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.983 -0.553 . . . . 10.0 109.533 178.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 558' ' ' LEU . . . . . 0.618 HD12 ' HA ' ' D' ' 555' ' ' LEU . 92.4 mt -58.29 -53.36 59.13 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 115.896 -0.593 . . . . 10.0 109.96 179.121 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.86 -39.51 83.75 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 123.226 0.329 . . . . 10.0 110.898 -179.705 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -59.96 -30.1 68.87 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 115.757 -0.656 . . . . 10.0 111.381 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.16 -37.44 9.31 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 111.72 0.267 . . . . 10.0 111.72 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -62.75 -42.9 99.89 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 112.714 0.635 . . . . 10.0 112.714 -179.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -54.61 -61.36 5.78 Favored Pre-proline 0 C--O 1.236 0.39 0 N-CA-C 112.136 0.421 . . . . 10.0 112.136 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -64.64 -35.27 48.05 Favored 'Trans proline' 0 C--N 1.358 1.047 0 C-N-CA 121.854 1.703 . . . . 10.0 111.88 179.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -62.2 -50.92 69.86 Favored 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 110.145 -0.317 . . . . 10.0 110.145 179.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 81.0 mt -63.32 -40.68 98.01 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 110.022 -0.362 . . . . 10.0 110.022 179.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.87 -53.38 58.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.14 0.495 . . . . 10.0 110.049 178.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -65.19 -35.99 82.8 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.715 -0.675 . . . . 10.0 111.084 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 11.3 mt -61.72 -46.35 90.01 Favored 'General case' 0 C--O 1.221 -0.42 0 N-CA-C 109.402 -0.592 . . . . 10.0 109.402 178.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 570' ' ' ARG . . . . . 0.461 ' O ' ' HG ' ' D' ' 574' ' ' LEU . 64.9 mtt180 -65.64 -43.32 89.82 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.472 179.433 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -70.82 -15.38 62.65 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.38 -0.373 . . . . 10.0 111.092 179.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -98.19 -38.71 3.96 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.854 -0.689 . . . . 10.0 111.664 179.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 65.0 mt -65.53 -34.42 78.21 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.017 -0.091 . . . . 10.0 111.179 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 574' ' ' LEU . . . . . 0.527 ' O ' ' HG2' ' D' ' 578' ' ' GLU . 76.7 mt -54.68 -63.23 3.03 Favored Pre-proline 0 CA--C 1.535 0.388 0 N-CA-C 112.14 0.422 . . . . 10.0 112.14 179.534 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -62.49 -35.05 73.69 Favored 'Trans proline' 0 C--N 1.356 0.939 0 C-N-CA 121.677 1.585 . . . . 10.0 111.476 179.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 20.7 t -63.28 -45.97 96.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.442 -0.344 . . . . 10.0 110.274 179.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 577' ' ' LEU . . . . . 0.423 ' O ' ' HG3' ' D' ' 581' ' ' LYS . 55.5 mt -62.37 -42.02 99.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.517 -0.31 . . . . 10.0 110.208 179.27 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 578' ' ' GLU . . . . . 0.527 ' HG2' ' O ' ' D' ' 574' ' ' LEU . 8.3 mm-40 -62.86 -44.7 95.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 10.0 109.817 179.074 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 45.2 m -63.64 -39.89 95.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.895 -0.593 . . . . 10.0 109.813 178.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -63.83 -35.82 81.87 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 115.826 -0.625 . . . . 10.0 110.625 179.02 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 581' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' D' ' 577' ' ' LEU . 90.8 mttt -65.26 -40.91 94.57 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.728 -0.471 . . . . 10.0 109.728 178.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 90.7 t -61.34 -43.18 96.14 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.292 179.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.84 -39.56 69.67 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.126 179.754 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -67.53 -45.93 74.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.696 -0.229 . . . . 10.0 111.156 179.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 13.0 mt -57.04 -46.23 82.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.464 -0.335 . . . . 10.0 110.649 179.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 8.7 p -69.97 -38.61 76.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.219 -0.446 . . . . 10.0 111.13 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -63.94 -55.66 20.92 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.342 -0.39 . . . . 10.0 110.613 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 88.0 mt -60.53 -38.11 83.37 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 123.238 0.336 . . . . 10.0 111.84 -179.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -66.4 -54.48 23.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.955 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -64.65 -32.88 74.73 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.103 -0.498 . . . . 10.0 111.755 -179.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -63.99 -41.25 97.56 Favored 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 109.745 -0.465 . . . . 10.0 109.745 178.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 46.5 m -67.27 -29.34 68.92 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.192 0.52 . . . . 10.0 110.23 179.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -74.33 -48.38 28.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.977 -0.556 . . . . 10.0 111.256 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 594' ' ' LYS . . . . . 0.881 ' HG2' ' HB2' ' A' ' 388' ' ' SER . 10.6 mptt -73.85 -34.23 64.42 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.254 -0.43 . . . . 10.0 111.941 -179.186 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 36.4 mt -106.25 54.65 0.68 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.041 0.448 . . . . 10.0 110.298 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 . . . . . 0 C--N 1.323 -0.583 0 CA-C-N 115.98 -0.555 . . . . 10.0 111.24 -179.661 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 2.3 m . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.864 0.364 . . . . 10.0 110.38 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 2' ' ' THR . . . . . 0.543 ' HB ' ' CE2' ' B' ' 4' ' ' TYR . 0.3 OUTLIER -94.42 124.29 38.35 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.523 -0.308 . . . . 10.0 110.785 -179.652 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -89.99 138.76 31.23 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.015 -0.735 . . . . 10.0 109.015 178.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' TYR . . . . . 0.543 ' CE2' ' HB ' ' B' ' 2' ' ' THR . 98.4 m-85 -129.36 117.71 21.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 123.239 0.337 . . . . 10.0 110.595 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.499 ' HA ' ' HB3' ' B' ' 54' ' ' ASP . 31.8 mttm -81.95 106.9 14.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.114 0.483 . . . . 10.0 110.879 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.525 ' O ' ' HA ' ' B' ' 55' ' ' ILE . 12.4 mt -110.11 121.84 46.2 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.634 -0.712 . . . . 10.0 110.621 -179.345 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 49.0 t -109.81 124.77 66.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 120.715 0.293 . . . . 10.0 110.564 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.63 HG12 ' HD2' ' B' ' 16' ' ' LYS . 22.4 t -88.29 121.22 38.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.141 -0.689 . . . . 10.0 109.141 179.508 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 31.7 m -122.52 156.77 27.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.292 -0.413 . . . . 10.0 111.176 -178.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 147.59 177.43 22.02 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.854 -0.688 . . . . 10.0 112.039 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.81 -175.21 0.85 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.392 0.615 . . . . 10.0 112.054 -179.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -92.19 146.69 23.52 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.85 -0.614 . . . . 10.0 111.649 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 65.51 25.64 71.53 Favored Glycine 0 CA--C 1.523 0.565 0 CA-C-N 115.497 -0.774 . . . . 10.0 113.953 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 27.8 m -95.27 -22.16 5.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 117.338 0.569 . . . . 10.0 112.067 -179.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . 0.591 ' HA3' HD22 ' B' ' 116' ' ' ASN . . . 121.28 13.64 5.25 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.838 -0.696 . . . . 10.0 113.197 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . 0.63 ' HD2' HG12 ' B' ' 8' ' ' VAL . 24.3 mtmm -59.95 -47.32 86.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.082 0.468 . . . . 10.0 111.182 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.24 -39.41 68.49 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.015 -179.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.61 -55.18 37.68 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.942 -0.572 . . . . 10.0 112.177 -179.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.526 HD23 ' HB2' ' B' ' 146' ' ' ALA . 38.5 mt -57.97 -47.88 81.64 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.015 0.376 . . . . 10.0 112.015 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 19.4 m -61.68 -47.16 86.59 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.62 -179.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 87.6 mt -65.21 -32.36 57.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.813 0.34 . . . . 10.0 110.83 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' GLN . . . . . 0.721 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 0.4 OUTLIER -66.12 -32.69 74.29 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-O 121.052 0.454 . . . . 10.0 110.508 179.081 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 13.4 tp -77.95 -31.73 51.05 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.786 -0.366 . . . . 10.0 111.303 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 34.8 mm -89.6 -61.39 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 112.786 0.661 . . . . 10.0 112.786 -178.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . 0.518 ' HB2' ' HD2' ' B' ' 27' ' ' HIS . 53.2 mt-30 -85.12 -13.94 48.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.758 0.313 . . . . 10.0 111.799 -178.601 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . 0.721 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 1.1 t-20 60.79 45.69 9.67 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 112.935 0.717 . . . . 10.0 112.935 178.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . 0.518 ' HD2' ' HB2' ' B' ' 25' ' ' GLN . 2.1 p80 -150.5 157.88 43.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.54 -0.3 . . . . 10.0 110.942 179.478 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -91.94 120.84 32.98 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.619 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.402 HG22 ' H ' ' B' ' 29' ' ' VAL . 0.8 OUTLIER -84.26 122.89 38.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.425 -0.352 . . . . 10.0 110.285 179.392 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -86.83 -33.35 19.87 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.345 -179.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -84.93 148.53 26.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.28 -0.418 . . . . 10.0 110.076 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -93.36 127.34 38.93 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.904 0.383 . . . . 10.0 110.581 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . 0.42 ' HA ' ' HD3' ' B' ' 34' ' ' PRO . 16.2 t70 -119.78 111.55 35.86 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.393 -0.367 . . . . 10.0 111.149 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' B' ' 33' ' ' ASP . 24.8 Cg_exo -65.54 107.63 1.07 Allowed 'Trans proline' 0 N--CA 1.463 -0.272 0 C-N-CA 122.718 2.278 . . . . 10.0 109.648 178.698 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 1.3 m -84.46 135.91 34.06 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.333 -0.394 . . . . 10.0 111.861 -178.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 20.9 mm -95.38 -52.74 9.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 107.652 -1.24 . . . . 10.0 107.652 178.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -174.66 95.73 0.08 Allowed 'General case' 0 C--O 1.234 0.255 0 CA-C-N 114.7 -1.136 . . . . 10.0 108.979 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -114.45 148.76 37.3 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.655 -0.248 . . . . 10.0 110.502 -178.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -129.23 135.58 48.99 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.827 0.346 . . . . 10.0 111.638 -179.251 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -130.61 138.29 50.04 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.231 -0.44 . . . . 10.0 111.148 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.455 ' HA ' ' O ' ' B' ' 53' ' ' LEU . 0.9 OUTLIER -116.51 134.7 54.54 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.236 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 56.5 tttp -149.6 126.14 10.94 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.169 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -95.98 121.16 37.43 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.839 -0.619 . . . . 10.0 109.517 179.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -137.25 161.75 34.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.848 0.356 . . . . 10.0 110.852 -179.288 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 15.8 t -99.94 96.68 5.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.242 179.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 68.2 mt -104.14 123.99 58.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.556 -0.747 . . . . 10.0 110.58 -178.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . 0.771 ' HA ' ' HG3' ' C' ' 128' ' ' LYS . 31.6 m-20 59.93 20.63 9.63 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.865 -0.607 . . . . 10.0 112.072 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.89 0.17 66.54 Favored Glycine 0 N--CA 1.454 -0.158 0 C-N-CA 121.022 -0.609 . . . . 10.0 112.644 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -108.77 136.99 47.43 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.661 0.267 . . . . 10.0 110.807 -179.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 1.8 m -79.85 103.39 9.72 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.341 -0.985 . . . . 10.0 108.341 178.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 15.2 m -108.09 135.46 49.41 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 112.256 0.465 . . . . 10.0 112.256 -178.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 41.4 tp -99.72 108.32 20.62 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 107.651 -1.241 . . . . 10.0 107.651 178.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . 0.472 HD22 HD11 ' B' ' 6' ' ' LEU . 26.5 mt -82.58 124.41 30.12 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.89 0.7 . . . . 10.0 112.89 -177.754 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . 0.499 ' HB3' ' HA ' ' B' ' 5' ' ' LYS . 33.1 t70 -108.43 85.7 2.16 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 106.902 -1.518 . . . . 10.0 106.902 177.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' ILE . . . . . 0.525 ' HA ' ' O ' ' B' ' 6' ' ' LEU . 19.5 mt -92.2 139.09 18.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 113.131 0.789 . . . . 10.0 113.131 -177.095 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 16.3 tp -125.5 117.85 24.52 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.297 -0.865 . . . . 10.0 110.096 178.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -93.78 110.92 22.54 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 108.899 -0.778 . . . . 10.0 108.899 179.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 69.9 p -90.64 -173.25 3.68 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.572 0.582 . . . . 10.0 112.572 -178.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -99.82 155.3 17.72 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.854 -0.612 . . . . 10.0 111.215 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -115.85 11.78 17.94 Favored Glycine 0 N--CA 1.444 -0.816 0 N-CA-C 111.158 -0.777 . . . . 10.0 111.158 179.161 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -89.17 7.89 32.92 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.529 -0.336 . . . . 10.0 111.222 -179.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.402 ' HB3' ' H ' ' B' ' 63' ' ' GLU . 13.9 mm-40 59.81 -139.0 0.67 Allowed 'General case' 0 C--N 1.331 -0.236 0 O-C-N 123.571 0.545 . . . . 10.0 111.141 -179.21 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . 0.402 ' H ' ' HB3' ' B' ' 62' ' ' GLU . 2.3 tm-20 73.51 -37.58 0.38 Allowed 'General case' 0 N--CA 1.467 0.394 0 O-C-N 123.401 0.438 . . . . 10.0 111.678 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -78.78 73.59 5.33 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.129 0.49 . . . . 10.0 111.623 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.61 -15.4 52.31 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.082 -0.508 . . . . 10.0 111.038 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -120.49 -33.18 3.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.049 -0.523 . . . . 10.0 111.842 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 28.8 ttp -67.7 -26.26 66.09 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.742 0.306 . . . . 10.0 111.378 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' ARG . . . . . 0.57 ' HA ' ' CZ ' ' B' ' 71' ' ' TYR . 1.1 ttp180 -59.05 -36.46 75.06 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.906 -0.588 . . . . 10.0 111.422 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -56.37 -35.11 67.31 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.68 -0.691 . . . . 10.0 111.903 -179.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -59.27 -58.18 9.77 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.244 0.461 . . . . 10.0 112.244 -178.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' TYR . . . . . 0.57 ' CZ ' ' HA ' ' B' ' 68' ' ' ARG . 0.5 OUTLIER -72.68 -24.89 61.08 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.88 0.696 . . . . 10.0 112.88 -178.861 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . 0.778 ' HA ' ' HZ ' ' B' ' 78' ' ' PHE . 36.2 mtt -70.29 -35.9 74.0 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.939 0.4 . . . . 10.0 111.03 179.368 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -80.83 -19.97 43.46 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.129 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 4.2 m -94.36 -42.6 8.81 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.492 0.553 . . . . 10.0 112.492 -179.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -67.75 140.47 36.68 Favored Glycine 0 C--N 1.333 0.399 0 C-N-CA 121.128 -0.558 . . . . 10.0 113.437 -179.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . 0.408 ' HG3' ' HB2' ' B' ' 5' ' ' LYS . 27.4 mt-10 -91.14 -47.6 7.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.697 0.284 . . . . 10.0 110.543 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -113.67 137.94 14.53 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.921 -0.657 . . . . 10.0 111.728 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . 0.778 ' HZ ' ' HA ' ' B' ' 72' ' ' MET . 74.9 m-85 -112.92 122.8 48.71 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.286 0.565 . . . . 10.0 111.55 -179.451 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.627 HD13 HD22 ' B' ' 159' ' ' LEU . 17.7 tp -95.47 104.08 15.97 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.529 -0.76 . . . . 10.0 110.086 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.7 97.81 7.44 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.035 -0.529 . . . . 10.0 109.895 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 90.9 t -104.87 121.52 56.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.043 0.449 . . . . 10.0 110.921 -179.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 82' ' ' PHE . . . . . 0.792 ' HB2' ' HB2' ' B' ' 89' ' ' SER . 20.6 p90 -135.26 157.83 45.91 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.59 179.083 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -96.83 136.4 37.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.04 179.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 35.0 pt -75.44 -12.17 14.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 112.369 0.507 . . . . 10.0 112.369 -179.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 22.5 p-10 -94.19 4.03 54.45 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.848 0.356 . . . . 10.0 111.118 179.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -137.94 107.09 6.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.821 179.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 1.6 m -61.91 -29.75 70.43 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.962 -0.563 . . . . 10.0 111.802 -179.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -55.7 -47.78 76.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.449 -0.342 . . . . 10.0 111.098 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . 0.792 ' HB2' ' HB2' ' B' ' 82' ' ' PHE . 0.0 OUTLIER -61.03 -33.56 73.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 10.0 111.488 179.86 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -67.68 -47.82 68.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.258 -0.428 . . . . 10.0 111.004 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -70.01 -31.98 69.91 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.241 -0.436 . . . . 10.0 110.743 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 92' ' ' ASP . . . . . 0.593 ' HA ' ' HD2' ' B' ' 95' ' ' HIS . 30.7 m-20 -61.77 -27.07 68.48 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.945 -0.57 . . . . 10.0 111.446 179.58 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 93' ' ' ILE . . . . . 0.426 HG12 ' O ' ' B' ' 89' ' ' SER . 47.4 mm -57.11 -38.77 62.55 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-N 116.508 -0.315 . . . . 10.0 110.994 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -64.3 -46.5 83.3 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.543 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 95' ' ' HIS . . . . . 0.593 ' HD2' ' HA ' ' B' ' 92' ' ' ASP . 91.5 m-70 -61.28 -44.34 97.39 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.262 -179.693 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -63.4 -45.61 90.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.532 178.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 4.7 tmt_? -58.56 -50.08 75.08 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.956 -0.565 . . . . 10.0 111.918 -178.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 -62.0 -34.6 76.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.691 0.281 . . . . 10.0 111.386 -179.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -68.29 -41.86 80.32 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.471 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 96.7 mt -58.07 -45.77 88.27 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.585 179.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 38.4 mtmt -62.06 -32.85 73.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.297 -0.411 . . . . 10.0 110.954 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 13.2 ttm180 -76.63 -43.46 38.17 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.118 -0.492 . . . . 10.0 111.692 -179.075 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 99.9 t -70.29 -46.98 69.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.965 0.412 . . . . 10.0 111.939 -179.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . 0.414 ' HD2' ' HE2' ' B' ' 78' ' ' PHE . 27.4 mtpp -80.93 -16.03 54.66 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.487 -0.324 . . . . 10.0 111.858 -179.009 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 2.9 t70 57.54 60.77 2.71 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.685 0.755 . . . . 10.0 111.259 -179.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 8.4 t -157.44 145.65 19.19 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.424 -0.807 . . . . 10.0 110.133 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -96.01 -25.89 15.75 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.247 0.546 . . . . 10.0 110.071 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.87 79.84 1.38 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.773 -0.649 . . . . 10.0 110.823 -179.301 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . 0.419 ' HA ' ' HD3' ' B' ' 110' ' ' PRO . 0.4 OUTLIER -110.36 133.33 21.13 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 116.205 -0.452 . . . . 10.0 111.457 -179.675 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 110' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 23.5 Cg_exo -64.7 124.22 12.87 Favored 'Trans proline' 0 C--O 1.236 0.384 0 C-N-CA 122.839 2.359 . . . . 10.0 111.987 179.493 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 16.7 mtm -151.13 153.21 34.58 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.524 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 85.3 t -135.77 126.93 44.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.002 -0.545 . . . . 10.0 109.804 179.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 19.2 tp -85.94 115.59 23.65 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.009 0.433 . . . . 10.0 110.103 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 114' ' ' VAL . . . . . 0.431 HG21 HD11 ' B' ' 79' ' ' LEU . 57.2 t -117.61 125.31 74.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.218 0.532 . . . . 10.0 112.001 -178.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -105.28 119.72 6.26 Favored Glycine 0 N--CA 1.445 -0.745 0 N-CA-C 110.429 -1.069 . . . . 10.0 110.429 178.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 116' ' ' ASN . . . . . 0.591 HD22 ' HA3' ' B' ' 15' ' ' GLY . 63.7 t30 -102.47 166.82 10.33 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.63 0.215 . . . . 10.0 111.146 -179.186 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 91.7 mttt 65.51 32.29 9.54 Favored 'General case' 0 N--CA 1.463 0.189 0 O-C-N 123.746 0.654 . . . . 10.0 111.273 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 54.5 m -69.27 -14.02 62.72 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.866 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -84.13 -3.73 58.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.372 -0.376 . . . . 10.0 110.915 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' B' ' 120' ' ' LEU . 8.9 mt -92.51 130.48 37.11 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.052 179.406 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -75.58 175.02 11.83 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.921 2.414 . . . . 10.0 111.474 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 19.8 m 58.77 52.85 6.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.079 -0.509 . . . . 10.0 110.959 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 123' ' ' ARG . . . . . 0.589 ' HD3' ' O ' ' B' ' 125' ' ' VAL . 5.0 ptp180 -69.56 137.23 52.23 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.055 -0.52 . . . . 10.0 111.243 179.76 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.03 -30.92 17.43 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.137 0.494 . . . . 10.0 109.757 179.157 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 125' ' ' VAL . . . . . 0.589 ' O ' ' HD3' ' B' ' 123' ' ' ARG . 48.1 t -100.53 117.85 46.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.891 -0.595 . . . . 10.0 109.511 179.143 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 126' ' ' ASP . . . . . 0.54 ' OD2' ' HG2' ' B' ' 128' ' ' LYS . 6.8 t0 -75.1 142.79 43.62 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.175 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -56.83 -50.73 71.52 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.658 -179.545 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 128' ' ' LYS . . . . . 0.617 ' HB2' ' HA ' ' C' ' 47' ' ' ASP . 15.5 pttm -63.55 -33.56 75.86 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 113.509 0.929 . . . . 10.0 113.509 -177.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . 0.529 ' HG2' ' O ' ' B' ' 126' ' ' ASP . 2.4 pt20 -68.19 -27.55 66.49 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.302 -0.559 . . . . 10.0 110.93 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -88.1 -32.8 18.51 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.42 -0.585 . . . . 10.0 109.42 178.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . 0.535 ' HB3' ' CZ ' ' C' ' 161' ' ' ARG . 87.0 mt-30 -63.43 -52.46 61.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.267 -0.878 . . . . 10.0 112.015 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 132' ' ' ASP . . . . . 0.688 ' HB2' ' HB3' ' C' ' 47' ' ' ASP . 27.6 t0 -62.52 -35.42 79.33 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.957 0.408 . . . . 10.0 110.939 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 27.7 tp -62.06 -46.03 90.94 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.02 179.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.82 -36.18 82.78 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 115.888 -0.596 . . . . 10.0 110.075 179.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 135' ' ' ARG . . . . . 0.736 ' HG3' ' HB3' ' C' ' 161' ' ' ARG . 6.5 tmm_? -62.26 -37.33 85.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.839 -0.619 . . . . 10.0 110.351 179.536 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 13.0 t -69.67 -12.2 61.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 10.0 111.453 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -106.33 -28.44 10.38 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.788 0.328 . . . . 10.0 110.869 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 101.33 -4.2 54.77 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.722 -0.752 . . . . 10.0 112.627 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 39.2 pt -82.54 152.49 67.0 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-O 120.585 0.231 . . . . 10.0 111.323 -179.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -80.37 156.85 22.4 Favored 'Trans proline' 0 C--O 1.239 0.563 0 C-N-CA 122.763 2.309 . . . . 10.0 111.823 179.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -143.57 131.43 21.53 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 115.901 -0.59 . . . . 10.0 110.463 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 12.2 tt -143.63 142.85 24.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.657 -179.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -78.56 135.37 37.28 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.485 -0.561 . . . . 10.0 109.485 179.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 16.8 p -136.01 143.31 44.69 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.32 0.581 . . . . 10.0 112.373 -178.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 1.7 m -133.48 101.49 5.17 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.127 -1.064 . . . . 10.0 108.127 178.367 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 146' ' ' ALA . . . . . 0.526 ' HB2' HD23 ' B' ' 19' ' ' LEU . . . -64.5 -29.8 70.84 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.717 0.636 . . . . 10.0 112.717 -178.342 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -61.08 -33.79 73.9 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.744 0.307 . . . . 10.0 111.265 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.28 -8.81 24.43 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.922 179.746 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 74.28 -7.97 1.55 Allowed 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 113.408 0.892 . . . . 10.0 113.408 179.256 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.88 138.07 42.21 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 121.634 -0.666 . . . . 10.0 112.13 -179.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 86.96 -29.18 5.17 Favored Glycine 0 CA--C 1.524 0.63 0 C-N-CA 121.125 -0.56 . . . . 10.0 113.777 179.02 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 36.8 t -55.03 -41.63 60.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 112.105 0.409 . . . . 10.0 112.105 -178.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.31 -53.88 41.89 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.042 0.386 . . . . 10.0 112.042 -179.105 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -62.37 -32.77 73.62 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.731 0.641 . . . . 10.0 112.731 -178.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -56.92 -46.8 81.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.995 0.426 . . . . 10.0 110.421 179.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -74.61 -35.38 62.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.038 -0.528 . . . . 10.0 111.048 179.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -63.57 -44.53 93.85 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.499 179.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 28.7 m -67.44 -33.8 75.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.251 -0.432 . . . . 10.0 110.501 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 159' ' ' LEU . . . . . 0.627 HD22 HD13 ' B' ' 79' ' ' LEU . 44.9 tp -59.22 -45.99 89.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.274 179.35 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 84.1 t -73.32 -35.62 46.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.227 179.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -57.52 -40.77 79.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.46 -0.791 . . . . 10.0 110.745 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -66.63 -31.25 71.82 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.365 -0.379 . . . . 10.0 111.092 179.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 51.9 mt -74.12 -44.88 49.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-O 120.708 0.289 . . . . 10.0 110.638 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 164' ' ' ARG . . . . . 0.447 HH11 ' HD2' ' B' ' 164' ' ' ARG . 33.9 ttm105 -63.87 -38.35 90.77 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 109.085 -0.709 . . . . 10.0 109.085 179.072 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 26.4 ttmt . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 115.363 -0.835 . . . . 10.0 109.308 178.463 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 1' ' ' SER . . . . . 0.592 ' N ' ' HB ' ' C' ' 50' ' ' THR . 13.8 m . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.782 0.325 . . . . 10.0 110.971 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 2' ' ' THR . . . . . 0.508 ' HB ' ' CE2' ' C' ' 4' ' ' TYR . 0.2 OUTLIER -92.99 131.36 38.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.873 -179.712 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -98.62 135.81 39.61 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.288 -0.415 . . . . 10.0 110.734 -179.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 4' ' ' TYR . . . . . 0.508 ' CE2' ' HB ' ' C' ' 2' ' ' THR . 97.7 m-85 -132.53 116.49 16.8 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.56 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -88.19 117.96 27.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.892 0.377 . . . . 10.0 110.265 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . 0.607 ' O ' ' HA ' ' C' ' 55' ' ' ILE . 21.2 mt -116.04 132.52 56.63 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.945 -0.571 . . . . 10.0 110.801 -178.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . 0.533 HG11 ' CD2' ' C' ' 71' ' ' TYR . 39.4 t -124.02 130.54 73.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 N-CA-C 110.145 -0.317 . . . . 10.0 110.145 179.201 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.599 HG12 ' HB3' ' C' ' 79' ' ' LEU . 3.7 m -99.46 118.95 46.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.197 0.522 . . . . 10.0 111.661 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 15.9 m -108.02 150.44 10.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.111 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 157.03 -178.02 33.62 Favored Glycine 0 N--CA 1.445 -0.711 0 N-CA-C 111.124 -0.79 . . . . 10.0 111.124 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.63 -176.47 6.28 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.067 0.46 . . . . 10.0 110.698 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.28 139.65 30.78 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.348 -0.387 . . . . 10.0 110.508 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 91.24 7.89 65.05 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.66 -0.781 . . . . 10.0 112.69 179.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 35.6 m -88.4 -14.33 9.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.851 0.358 . . . . 10.0 110.819 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 95.12 28.14 10.2 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.928 -0.653 . . . . 10.0 112.989 179.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 1.4 mtmt -58.22 -40.85 82.73 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.037 0.384 . . . . 10.0 112.037 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.39 -33.87 42.37 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.606 -0.27 . . . . 10.0 111.412 -179.354 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.18 -43.11 87.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 10.0 111.498 -179.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 19' ' ' LEU . . . . . 0.419 HD23 ' HB2' ' C' ' 146' ' ' ALA . 95.5 mt -63.02 -34.9 78.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 10.0 111.662 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -76.62 -46.12 27.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.449 -0.341 . . . . 10.0 111.147 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 81.5 mt -61.23 -35.99 69.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 10.0 111.283 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 22' ' ' GLN . . . . . 0.574 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 2.5 mm-40 -65.91 -16.47 63.89 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.736 0.303 . . . . 10.0 111.394 179.502 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 13.6 tp -103.4 -42.33 5.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.981 0.419 . . . . 10.0 110.784 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 49.6 mm -71.44 -52.61 25.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.833 -0.621 . . . . 10.0 112.067 -179.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -110.05 -1.71 17.42 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.109 0.48 . . . . 10.0 112.013 -179.149 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 26' ' ' ASN . . . . . 0.574 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 56.4 m-80 57.56 45.16 19.85 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 113.397 0.888 . . . . 10.0 113.397 178.494 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 8.0 p80 -151.25 166.47 30.8 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.559 0.219 . . . . 10.0 111.046 178.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -119.66 144.37 47.21 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.259 -0.428 . . . . 10.0 110.939 -179.042 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 4.3 m -111.4 121.27 63.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.805 -0.634 . . . . 10.0 109.926 179.084 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -77.82 -27.39 50.02 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.249 0.547 . . . . 10.0 110.7 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -80.71 136.76 36.23 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.695 -0.684 . . . . 10.0 110.594 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -65.82 142.67 57.87 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.846 -0.615 . . . . 10.0 110.142 179.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -142.09 101.81 5.76 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-O 120.712 0.291 . . . . 10.0 110.691 179.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -60.03 111.14 0.9 Allowed 'Trans proline' 0 C--O 1.233 0.26 0 C-N-CA 122.894 2.396 . . . . 10.0 111.889 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 1.3 m -93.64 119.06 32.18 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.61 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . 0.514 ' HA ' ' HB2' ' C' ' 59' ' ' ALA . 49.8 mm -90.0 -49.99 13.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 108.257 -1.016 . . . . 10.0 108.257 178.668 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 37' ' ' GLU . . . . . 0.833 ' HG2' HD11 ' C' ' 56' ' ' LEU . 6.6 tt0 -166.34 85.1 0.3 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.088 -0.96 . . . . 10.0 109.958 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -111.15 126.05 54.43 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.07 -0.344 . . . . 10.0 110.07 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 39' ' ' SER . . . . . 0.458 ' HB2' ' NH1' ' C' ' 41' ' ' ARG . 0.7 OUTLIER -110.29 138.69 46.33 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.025 0.441 . . . . 10.0 111.874 -179.65 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -127.05 140.94 51.93 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.095 -179.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . 0.494 ' HA ' ' O ' ' C' ' 53' ' ' LEU . 1.3 mpp_? -120.42 131.33 54.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.429 -0.35 . . . . 10.0 110.513 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 42' ' ' LYS . . . . . 0.467 ' HG2' HG13 ' C' ' 44' ' ' VAL . 55.1 tttp -144.77 126.08 14.79 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.92 0.39 . . . . 10.0 111.486 179.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -94.3 106.61 18.58 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.883 -0.599 . . . . 10.0 109.937 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 44' ' ' VAL . . . . . 0.467 HG13 ' HG2' ' C' ' 42' ' ' LYS . 4.4 m -125.05 163.43 25.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 121.009 0.433 . . . . 10.0 111.566 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 34.9 t -98.04 105.79 17.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.071 -0.513 . . . . 10.0 109.644 179.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 25.7 mt -112.07 119.88 61.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.509 -0.314 . . . . 10.0 110.744 -178.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 47' ' ' ASP . . . . . 0.688 ' HB3' ' HB2' ' B' ' 132' ' ' ASP . 6.6 m-20 63.0 20.66 12.44 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.511 -0.768 . . . . 10.0 111.632 179.576 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.82 -4.22 75.15 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.818 -0.706 . . . . 10.0 111.99 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -107.86 136.9 46.81 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 110.1 -0.333 . . . . 10.0 110.1 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 50' ' ' THR . . . . . 0.592 ' HB ' ' N ' ' C' ' 1' ' ' SER . 4.6 m -72.01 118.53 15.0 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.095 -0.705 . . . . 10.0 109.095 178.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 35.8 m -120.88 124.26 44.54 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.983 -179.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 56.4 tp -95.41 107.22 19.34 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.459 -0.941 . . . . 10.0 108.459 178.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . 0.494 ' O ' ' HA ' ' C' ' 41' ' ' ARG . 38.5 mt -83.03 122.18 27.99 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 112.513 0.56 . . . . 10.0 112.513 -178.264 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -110.57 80.55 1.32 Allowed 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 107.249 -1.389 . . . . 10.0 107.249 177.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 55' ' ' ILE . . . . . 0.607 ' HA ' ' O ' ' C' ' 6' ' ' LEU . 23.8 mt -89.76 138.15 19.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.836 -0.62 . . . . 10.0 112.504 -178.068 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . 0.833 HD11 ' HG2' ' C' ' 37' ' ' GLU . 32.8 tp -127.38 115.6 19.2 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.992 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -94.85 96.78 9.56 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.011 -0.737 . . . . 10.0 109.011 178.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.84 161.44 17.52 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.995 -0.548 . . . . 10.0 111.502 -179.597 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 59' ' ' ALA . . . . . 0.514 ' HB2' ' HA ' ' C' ' 36' ' ' ILE . . . -61.34 129.19 40.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.833 -0.621 . . . . 10.0 112.303 -179.541 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -112.0 32.77 6.12 Favored Glycine 0 N--CA 1.45 -0.405 0 CA-C-N 115.491 -0.777 . . . . 10.0 111.391 179.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.87 25.5 5.91 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.591 -0.304 . . . . 10.0 110.779 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 62' ' ' GLU . . . . . 0.479 ' HG3' ' H ' ' C' ' 63' ' ' GLU . 2.8 tp10 64.3 -161.14 0.29 Allowed 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.023 -0.535 . . . . 10.0 111.171 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 63' ' ' GLU . . . . . 0.479 ' H ' ' HG3' ' C' ' 62' ' ' GLU . 1.9 tm-20 72.76 -54.98 0.69 Allowed 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.149 0.58 . . . . 10.0 112.369 179.376 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -58.18 92.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.745 0.646 . . . . 10.0 112.745 -179.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 3.8 m -106.67 -25.53 11.73 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.796 -0.638 . . . . 10.0 109.915 179.14 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.4 -54.68 3.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.252 0.549 . . . . 10.0 111.06 179.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 23.0 ttt -61.7 -33.68 74.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.898 -0.592 . . . . 10.0 111.437 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 68' ' ' ARG . . . . . 0.777 ' HA ' ' CE1' ' C' ' 71' ' ' TYR . 16.3 ttp180 -63.4 -35.49 80.59 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.181 -0.463 . . . . 10.0 111.223 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -66.94 -38.85 86.93 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.542 -0.754 . . . . 10.0 110.933 -179.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -62.85 -54.56 36.9 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.744 0.646 . . . . 10.0 112.744 -178.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 71' ' ' TYR . . . . . 0.777 ' CE1' ' HA ' ' C' ' 68' ' ' ARG . 5.4 p90 -65.39 -27.96 68.92 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.653 0.612 . . . . 10.0 112.653 -178.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 72' ' ' MET . . . . . 0.437 ' HA ' ' CZ ' ' C' ' 78' ' ' PHE . 46.2 mtt -69.34 -21.91 63.79 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.114 0.483 . . . . 10.0 110.335 179.235 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 73' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' C' ' 73' ' ' ARG . 6.1 mtm180 -88.17 -12.38 44.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.971 -0.559 . . . . 10.0 110.017 178.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 2.4 m -101.98 -40.1 7.03 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.137 0.421 . . . . 10.0 112.137 -178.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -70.89 152.67 50.58 Favored Glycine 0 CA--C 1.519 0.3 0 C-N-CA 120.753 -0.737 . . . . 10.0 112.849 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -106.96 -51.34 2.94 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.731 0.301 . . . . 10.0 110.69 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -101.94 116.19 5.46 Favored Glycine 0 N--CA 1.441 -1.029 0 N-CA-C 111.13 -0.788 . . . . 10.0 111.13 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 78' ' ' PHE . . . . . 0.581 ' HB2' ' HG2' ' C' ' 111' ' ' MET . 96.5 m-85 -103.97 119.14 38.31 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.914 0.388 . . . . 10.0 111.42 -179.281 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 79' ' ' LEU . . . . . 0.599 ' HB3' HG12 ' C' ' 8' ' ' VAL . 11.2 tp -98.02 121.32 39.81 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.29 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 80' ' ' CYS . . . . . 0.711 ' HB3' HD12 ' C' ' 93' ' ' ILE . 27.4 m -87.93 98.29 11.41 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.989 -0.745 . . . . 10.0 108.989 179.183 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 21.9 t -98.31 115.89 39.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.022 -0.536 . . . . 10.0 111.417 -178.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 82' ' ' PHE . . . . . 0.583 ' HE2' ' HG ' ' C' ' 113' ' ' LEU . 50.4 p90 -128.4 161.82 28.57 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.577 -0.738 . . . . 10.0 109.894 179.23 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 83' ' ' ALA . . . . . 0.416 ' HB1' ' OD1' ' C' ' 85' ' ' ASN . . . -105.46 131.97 52.22 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.454 -0.339 . . . . 10.0 110.256 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 84' ' ' ILE . . . . . 0.599 HD12 ' HB3' ' C' ' 123' ' ' ARG . 18.8 pt -68.48 -9.69 11.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.521 -0.309 . . . . 10.0 111.735 -179.511 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 85' ' ' ASN . . . . . 0.416 ' OD1' ' HB1' ' C' ' 83' ' ' ALA . 22.2 p-10 -107.84 15.54 24.4 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.15 179.198 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -141.95 95.14 2.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.856 -0.611 . . . . 10.0 109.406 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.57 -32.13 70.07 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.064 -0.516 . . . . 10.0 112.19 -178.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -59.44 -47.55 85.05 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.343 -0.39 . . . . 10.0 111.668 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 89.8 p -60.58 -37.88 82.79 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.135 0.42 . . . . 10.0 112.135 -179.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -65.52 -42.59 91.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.934 0.397 . . . . 10.0 111.288 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -73.3 -29.46 62.72 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.391 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 92' ' ' ASP . . . . . 0.651 ' HA ' ' HD2' ' C' ' 95' ' ' HIS . 0.5 OUTLIER -66.58 -23.04 66.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.878 -0.601 . . . . 10.0 111.786 -179.753 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 93' ' ' ILE . . . . . 0.711 HD12 ' HB3' ' C' ' 80' ' ' CYS . 40.4 mm -57.99 -36.58 56.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.177 0.513 . . . . 10.0 110.175 179.215 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 17.8 t60 -61.97 -41.78 98.4 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.674 -0.694 . . . . 10.0 110.164 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 95' ' ' HIS . . . . . 0.651 ' HD2' ' HA ' ' C' ' 92' ' ' ASP . 77.3 m-70 -63.19 -44.95 93.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.493 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 96' ' ' TYR . . . . . 0.495 ' O ' HG13 ' C' ' 100' ' ' ILE . 12.9 m-85 -67.0 -42.41 85.05 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.934 -0.576 . . . . 10.0 110.808 -179.614 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -56.54 -48.57 76.98 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.282 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -65.02 -35.63 81.8 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.108 -0.496 . . . . 10.0 111.777 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 99' ' ' GLN . . . . . 0.441 ' O ' HG23 ' C' ' 103' ' ' VAL . 62.4 tt0 -66.26 -49.64 66.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.499 -0.318 . . . . 10.0 111.002 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 100' ' ' ILE . . . . . 0.495 HG13 ' O ' ' C' ' 96' ' ' TYR . 58.1 mt -54.8 -42.0 59.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 O-C-N 123.386 0.428 . . . . 10.0 110.866 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -62.86 -39.28 93.94 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.897 -0.592 . . . . 10.0 111.05 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 9.8 tmm_? -74.33 -40.71 62.02 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.22 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 103' ' ' VAL . . . . . 0.441 HG23 ' O ' ' C' ' 99' ' ' GLN . 61.1 t -56.58 -49.3 78.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.113 -0.494 . . . . 10.0 111.924 -179.47 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 13.1 mttp -97.26 -1.73 44.17 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.708 -0.397 . . . . 10.0 111.823 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 32.3 t70 53.92 58.63 4.89 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.72 0.771 . . . . 10.0 111.087 -179.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 27.0 m -150.39 149.28 29.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.751 -0.659 . . . . 10.0 110.592 -179.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -92.52 -48.04 6.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.977 0.418 . . . . 10.0 110.988 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -79.97 92.98 5.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.053 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 109' ' ' VAL . . . . . 0.46 ' HA ' ' HD3' ' C' ' 110' ' ' PRO . 66.0 t -112.14 131.49 22.5 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 116.299 -0.41 . . . . 10.0 110.108 -179.48 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 110' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' C' ' 109' ' ' VAL . 16.9 Cg_exo -68.32 102.85 0.86 Allowed 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.676 2.251 . . . . 10.0 111.481 179.279 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 111' ' ' MET . . . . . 0.581 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 33.6 mtm -138.84 154.74 48.46 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.094 -0.503 . . . . 10.0 109.774 -179.624 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 112' ' ' VAL . . . . . 0.589 ' HB ' HD12 ' C' ' 79' ' ' LEU . 93.6 t -134.59 130.47 53.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 N-CA-C 109.273 -0.64 . . . . 10.0 109.273 178.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 113' ' ' LEU . . . . . 0.583 ' HG ' ' HE2' ' C' ' 82' ' ' PHE . 15.1 tp -84.42 117.79 23.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.924 0.392 . . . . 10.0 110.026 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 33.1 t -123.85 122.54 64.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.223 0.535 . . . . 10.0 111.451 -178.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -100.97 120.34 6.85 Favored Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 110.255 -1.138 . . . . 10.0 110.255 178.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -101.78 165.37 11.24 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.844 0.322 . . . . 10.0 111.424 -179.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 117' ' ' LYS . . . . . 0.57 ' HB3' HD12 ' C' ' 120' ' ' LEU . 98.8 mttt 66.92 30.39 7.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.698 -0.683 . . . . 10.0 111.905 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 118' ' ' CYS . . . . . 0.59 ' HA ' HD13 ' C' ' 84' ' ' ILE . 57.9 m -69.88 -8.1 45.75 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.88 0.696 . . . . 10.0 112.88 -179.619 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -94.03 1.31 56.24 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.928 0.394 . . . . 10.0 111.218 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 120' ' ' LEU . . . . . 0.57 HD12 ' HB3' ' C' ' 117' ' ' LYS . 30.6 mt -90.96 128.47 47.74 Favored Pre-proline 0 C--O 1.236 0.362 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.652 179.558 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -67.75 152.99 77.02 Favored 'Trans proline' 0 C--O 1.236 0.407 0 C-N-CA 122.365 2.044 . . . . 10.0 111.443 179.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 6.7 m 65.59 79.76 0.24 Allowed 'General case' 0 CA--C 1.529 0.171 0 O-C-N 123.758 0.661 . . . . 10.0 111.364 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 123' ' ' ARG . . . . . 0.599 ' HB3' HD12 ' C' ' 84' ' ' ILE . 4.0 ptp180 -93.51 139.01 31.21 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.983 -0.553 . . . . 10.0 111.224 -179.549 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 16.1 p -87.53 -32.96 19.12 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.02 0.438 . . . . 10.0 109.937 179.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 125' ' ' VAL . . . . . 0.548 ' O ' ' HD3' ' C' ' 123' ' ' ARG . 64.8 t -92.95 121.08 43.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-N 116.0 -0.546 . . . . 10.0 110.612 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 126' ' ' ASP . . . . . 0.539 ' O ' ' HG2' ' C' ' 129' ' ' GLN . 18.4 t0 -78.74 139.45 38.44 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.498 -0.774 . . . . 10.0 109.633 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.31 -37.37 82.98 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.324 0.583 . . . . 10.0 109.88 179.658 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 128' ' ' LYS . . . . . 0.771 ' HG3' ' HA ' ' B' ' 47' ' ' ASP . 0.5 OUTLIER -58.71 -46.45 87.3 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.097 -0.956 . . . . 10.0 111.786 -179.898 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 129' ' ' GLN . . . . . 0.539 ' HG2' ' O ' ' C' ' 126' ' ' ASP . 5.0 pt20 -68.41 -27.98 66.68 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.846 0.355 . . . . 10.0 111.527 -179.122 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -80.33 -44.94 18.66 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.006 0.431 . . . . 10.0 110.416 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -64.99 -42.7 94.28 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.967 -0.56 . . . . 10.0 111.041 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 132' ' ' ASP . . . . . 0.487 ' O ' ' HB3' ' C' ' 135' ' ' ARG . 22.4 t0 -68.64 -31.19 70.16 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.293 -0.412 . . . . 10.0 111.203 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 48.2 tp -67.77 -41.72 82.86 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.317 -0.623 . . . . 10.0 109.317 178.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -67.78 -26.37 66.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.337 -0.847 . . . . 10.0 109.693 179.042 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 135' ' ' ARG . . . . . 0.487 ' HB3' ' O ' ' C' ' 132' ' ' ASP . 6.8 tmm_? -61.27 -44.21 97.62 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.352 -0.84 . . . . 10.0 110.729 179.176 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -73.37 -22.36 60.3 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.984 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -83.06 -32.59 26.74 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.055 -0.521 . . . . 10.0 111.109 -179.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 93.19 11.11 58.93 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.744 -0.741 . . . . 10.0 112.121 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 41.4 pt -114.68 159.28 37.78 Favored Pre-proline 0 C--N 1.326 -0.446 0 N-CA-C 110.334 -0.247 . . . . 10.0 110.334 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -87.35 158.97 8.18 Favored 'Trans proline' 0 N--CA 1.46 -0.484 0 C-N-CA 122.488 2.125 . . . . 10.0 112.963 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -121.07 136.88 54.89 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.617 -0.719 . . . . 10.0 109.71 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 37.6 mt -131.21 137.13 56.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.738 -0.21 . . . . 10.0 111.329 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -89.52 134.44 34.11 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 108.437 -0.949 . . . . 10.0 108.437 178.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 21.7 p -131.19 171.15 13.63 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.959 0.725 . . . . 10.0 112.959 -178.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 14.4 t -168.74 117.85 0.7 Allowed 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 114.842 -1.072 . . . . 10.0 108.705 179.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 146' ' ' ALA . . . . . 0.513 ' HB1' ' HG3' ' C' ' 22' ' ' GLN . . . -79.55 -0.11 32.11 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.74 0.305 . . . . 10.0 111.276 179.525 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 5.5 ttmt -82.48 -53.08 6.27 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.542 -0.54 . . . . 10.0 109.542 179.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -87.92 -22.22 24.48 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.649 -0.501 . . . . 10.0 109.649 178.573 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 26.9 ttt-85 63.39 48.15 3.66 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.503 -0.772 . . . . 10.0 111.194 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -123.92 134.47 53.51 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.683 -0.69 . . . . 10.0 109.578 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 86.17 -19.88 24.3 Favored Glycine 0 C--N 1.329 0.171 0 C-N-CA 120.946 -0.645 . . . . 10.0 112.671 179.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 3.7 t -64.99 -41.61 92.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.095 0.474 . . . . 10.0 110.608 -179.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.31 -36.64 82.78 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.857 -0.61 . . . . 10.0 110.723 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.11 -39.26 93.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.009 -0.542 . . . . 10.0 110.371 179.35 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.32 -47.15 87.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.504 -0.771 . . . . 10.0 111.486 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -59.41 -47.53 85.1 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.74 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 21.7 m-30 -61.76 -44.31 97.14 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.977 -0.556 . . . . 10.0 111.481 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 29.5 m -61.21 -42.43 98.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 10.0 112.154 -179.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 33.5 tp -60.99 -37.41 82.38 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.908 0.385 . . . . 10.0 111.2 -179.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 85.7 t -70.77 -42.39 77.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.913 -0.585 . . . . 10.0 111.035 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 161' ' ' ARG . . . . . 0.736 ' HB3' ' HG3' ' B' ' 135' ' ' ARG . 78.4 mtm-85 -65.16 -32.54 74.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.099 -0.501 . . . . 10.0 111.766 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -65.39 -31.96 73.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.989 0.423 . . . . 10.0 110.621 179.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 61.2 mt -67.58 -35.77 74.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.049 179.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 42.5 mtt85 -69.62 -19.0 63.65 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.052 -0.522 . . . . 10.0 111.272 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -75.65 -19.01 59.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 10.0 111.189 -179.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 61.0 t60 -60.42 -45.82 92.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.19 0.519 . . . . 10.0 110.146 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 42.9 pttt . . . . . 0 C--N 1.325 -0.479 0 CA-C-N 115.941 -0.572 . . . . 10.0 109.934 179.333 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 7.1 tmtm? . . . . . 0 C--O 1.233 0.203 0 CA-C-O 120.602 0.239 . . . . 10.0 111.17 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 73.2 mt -65.6 -39.16 91.26 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.648 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 27.8 mt -63.97 -47.41 80.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.084 -0.507 . . . . 10.0 111.194 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -62.55 -49.62 74.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.726 -0.67 . . . . 10.0 111.308 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -68.28 -27.65 66.51 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.768 -0.651 . . . . 10.0 112.243 -178.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 79.9 t90 -68.18 -35.07 77.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.121 -0.491 . . . . 10.0 109.935 179.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -61.71 -38.81 89.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.386 -0.37 . . . . 10.0 110.526 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 10.5 m -64.01 -30.43 71.5 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.857 179.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 46.3 t -76.05 -45.44 36.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 108.879 -0.785 . . . . 10.0 108.879 178.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 10.9 m -59.89 -42.62 94.2 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.358 -0.837 . . . . 10.0 111.786 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 2.8 p -63.22 -44.6 94.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.988 0.423 . . . . 10.0 109.926 179.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 29.6 m -63.42 -43.95 96.01 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.873 -0.603 . . . . 10.0 109.818 178.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.78 -38.35 84.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.693 179.359 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 21.7 m -65.67 -46.64 78.34 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.167 -0.469 . . . . 10.0 110.256 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -65.38 -37.38 86.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.184 179.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 31.6 mt -63.58 -42.21 98.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.049 -0.523 . . . . 10.0 109.89 178.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 218' ' ' ARG . . . . . 0.426 ' HA ' HD12 ' A' ' 221' ' ' LEU . 47.7 mtt85 -67.88 -32.3 72.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 10.0 111.157 179.597 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -71.36 -31.77 67.73 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.377 -0.601 . . . . 10.0 109.377 178.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -79.52 -29.78 41.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.798 -0.637 . . . . 10.0 109.605 178.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 221' ' ' LEU . . . . . 0.426 HD12 ' HA ' ' A' ' 218' ' ' ARG . 16.2 mt -55.06 -33.3 62.61 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-N 115.877 -0.602 . . . . 10.0 111.065 179.594 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -58.31 -69.69 1.2 Allowed Glycine 0 N--CA 1.45 -0.424 0 N-CA-C 110.699 -0.96 . . . . 10.0 110.699 178.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -52.25 -39.48 72.0 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.926 2.417 . . . . 10.0 111.364 178.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 8.8 t -56.82 -51.15 71.2 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 CA-C-O 120.82 0.343 . . . . 10.0 110.346 178.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 225' ' ' THR . . . . . 0.409 ' O ' ' HB2' ' A' ' 229' ' ' TRP . 11.2 m -64.68 -39.67 94.07 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.513 -0.312 . . . . 10.0 110.299 179.674 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -62.14 -53.84 49.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.941 179.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -64.94 -43.02 94.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 10.0 111.472 -179.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 228' ' ' PHE . . . . . 0.408 ' O ' ' HG ' ' A' ' 232' ' ' LEU . 6.9 m-85 -65.1 -48.2 74.53 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.87 0.322 . . . . 10.0 111.87 179.676 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 229' ' ' TRP . . . . . 0.409 ' HB2' ' O ' ' A' ' 225' ' ' THR . 1.6 t-105 -65.71 -32.94 74.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.577 -0.283 . . . . 10.0 111.066 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -60.71 -45.4 94.36 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 178.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 231' ' ' ASN . . . . . 0.546 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 85.7 m-20 -71.37 -35.26 71.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.762 -0.654 . . . . 10.0 110.048 178.7 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 232' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 228' ' ' PHE . 51.4 mt -61.39 -41.77 97.66 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.67 -0.492 . . . . 10.0 109.67 178.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -64.26 -31.59 72.85 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.188 178.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 234' ' ' LYS . . . . . 0.546 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 74.1 mttt -71.15 -43.6 67.24 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.632 -0.507 . . . . 10.0 109.632 178.566 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -63.98 -45.83 87.33 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.117 179.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 10.3 p -66.52 -39.21 88.52 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.301 179.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 237' ' ' GLU . . . . . 0.78 ' HA ' ' HD2' ' A' ' 240' ' ' ARG . 33.4 tt0 -61.79 -44.68 96.39 Favored 'General case' 0 C--O 1.231 0.124 0 N-CA-C 109.457 -0.572 . . . . 10.0 109.457 178.438 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -60.05 -43.96 97.74 Favored Glycine 0 N--CA 1.445 -0.757 0 N-CA-C 109.923 -1.271 . . . . 10.0 109.923 178.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 239' ' ' LEU . . . . . 0.463 ' HA ' ' HB2' ' A' ' 242' ' ' GLU . 79.0 mt -66.43 -26.73 67.36 Favored 'General case' 0 C--O 1.224 -0.276 0 CA-C-N 115.638 -0.281 . . . . 10.0 110.794 178.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 240' ' ' ARG . . . . . 0.78 ' HD2' ' HA ' ' A' ' 237' ' ' GLU . 63.5 mtt180 -69.11 -45.62 69.74 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 108.58 -0.896 . . . . 10.0 108.58 178.356 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 241' ' ' GLN . . . . . 0.406 HE21 ' HG2' ' A' ' 237' ' ' GLU . 55.8 mt-30 -67.14 -41.75 85.58 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 108.667 -0.864 . . . . 10.0 108.667 178.038 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 242' ' ' GLU . . . . . 0.558 ' OE1' ' HB3' ' D' ' 528' ' ' ARG . 2.9 mt-10 -62.31 -38.99 91.55 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-N 114.98 -1.009 . . . . 10.0 111.002 179.3 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 3.2 mtm -58.1 -29.56 65.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.667 0.27 . . . . 10.0 110.875 179.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 1.9 m -70.62 -0.89 9.59 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-O 121.285 0.564 . . . . 10.0 110.759 179.113 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -131.11 -56.59 1.03 Allowed 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.36 -0.608 . . . . 10.0 109.36 178.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 246' ' ' ASP . . . . . 0.519 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 22.0 t0 -57.09 -37.72 72.31 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.671 -0.695 . . . . 10.0 111.631 -179.457 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 247' ' ' LEU . . . . . 0.636 ' O ' HG12 ' A' ' 250' ' ' VAL . 0.4 OUTLIER -99.49 -35.81 9.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 10.0 111.408 179.841 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -69.1 -43.19 74.96 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.738 -0.385 . . . . 10.0 111.686 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -73.18 -31.11 64.01 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 121.08 -0.248 . . . . 10.0 110.558 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 250' ' ' VAL . . . . . 0.669 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 1.6 p -63.78 -31.79 54.46 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.122 0 C-N-CA 120.485 -0.486 . . . . 10.0 109.888 179.111 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 251' ' ' LYS . . . . . 0.528 ' O ' HG12 ' A' ' 254' ' ' VAL . 66.0 mttt -82.17 -44.6 16.23 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.789 -0.641 . . . . 10.0 110.175 179.173 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -61.23 -43.71 98.43 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.388 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 24.9 mtpt -79.84 -18.41 50.85 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.918 -0.583 . . . . 10.0 111.851 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 254' ' ' VAL . . . . . 0.669 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.3 OUTLIER -66.28 -26.75 38.71 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 C-N-CA 120.686 -0.405 . . . . 10.0 110.215 179.461 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 255' ' ' GLN . . . . . 0.446 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 47.3 mt-30 -60.57 -61.53 7.77 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 115.801 -0.636 . . . . 10.0 111.382 179.66 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 256' ' ' PRO . . . . . 0.446 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 38.3 Cg_endo -67.88 -28.42 36.07 Favored 'Trans proline' 0 C--N 1.355 0.901 0 C-N-CA 121.724 1.616 . . . . 10.0 111.697 179.244 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 6.7 m-30 -66.42 -55.23 16.73 Favored 'General case' 0 N--CA 1.46 0.053 0 CA-C-O 121.019 0.437 . . . . 10.0 110.315 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 55.5 mt -69.18 -31.6 70.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.167 -0.47 . . . . 10.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -61.34 -43.92 98.05 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.748 -0.464 . . . . 10.0 109.748 179.062 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -66.06 -54.49 25.17 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.104 179.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -56.23 -40.59 74.35 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.629 -0.714 . . . . 10.0 111.948 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -61.85 -47.26 85.83 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.012 -0.366 . . . . 10.0 110.012 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 16.5 mtmt -66.39 -35.03 79.29 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 110.294 -0.262 . . . . 10.0 110.294 179.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 264' ' ' LYS . . . . . 0.602 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 28.1 mmtp -63.46 -56.83 12.99 Favored 'General case' 0 CA--C 1.518 -0.255 0 N-CA-C 109.048 -0.723 . . . . 10.0 109.048 178.496 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 83.4 m95 -61.08 -32.16 71.82 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.566 179.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -61.76 -54.27 44.71 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 109.335 -0.617 . . . . 10.0 109.335 178.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -60.85 -37.34 81.75 Favored 'General case' 0 N--CA 1.456 -0.139 0 CA-C-N 116.229 -0.441 . . . . 10.0 109.903 179.048 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 268' ' ' GLU . . . . . 0.46 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 15.1 mt-10 -59.66 -46.96 87.45 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.867 -0.606 . . . . 10.0 109.546 178.205 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 22.1 mmt -67.27 -40.89 86.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.746 -0.661 . . . . 10.0 110.227 179.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 270' ' ' GLU . . . . . 0.482 ' O ' ' HG3' ' A' ' 274' ' ' GLN . 1.7 mm-40 -57.29 -55.74 30.86 Favored 'General case' 0 CA--C 1.519 -0.231 0 N-CA-C 109.91 -0.404 . . . . 10.0 109.91 179.046 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 37.4 mt -59.4 -42.42 91.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.826 -0.624 . . . . 10.0 110.759 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 272' ' ' TYR . . . . . 0.539 ' O ' ' HB ' ' A' ' 276' ' ' VAL . 0.1 OUTLIER -68.13 -27.62 66.6 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.752 0.279 . . . . 10.0 111.752 -179.857 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 273' ' ' ARG . . . . . 0.536 ' O ' HG12 ' A' ' 276' ' ' VAL . 84.9 mtt180 -83.65 -33.06 25.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.894 0.378 . . . . 10.0 111.288 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 274' ' ' GLN . . . . . 0.482 ' HG3' ' O ' ' A' ' 270' ' ' GLU . 23.1 mt-30 -77.77 -27.04 50.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.321 0.581 . . . . 10.0 109.499 178.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 275' ' ' LYS . . . . . 0.773 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 53.2 mttp -91.15 -24.13 20.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.482 -0.781 . . . . 10.0 111.769 178.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 276' ' ' VAL . . . . . 0.539 ' HB ' ' O ' ' A' ' 272' ' ' TYR . 5.2 p -62.18 -30.38 48.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 O-C-N 122.085 -0.385 . . . . 10.0 110.893 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -62.52 -59.65 12.2 Favored Pre-proline 0 CA--C 1.535 0.368 0 CA-C-N 116.415 -0.357 . . . . 10.0 111.539 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 278' ' ' PRO . . . . . 0.424 ' O ' ' HG3' ' A' ' 282' ' ' GLU . 15.2 Cg_endo -62.11 -38.61 55.1 Favored 'Trans proline' 0 C--N 1.356 0.973 0 C-N-CA 121.689 1.592 . . . . 10.0 111.655 178.512 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 279' ' ' LEU . . . . . 0.773 ' HG ' ' O ' ' A' ' 275' ' ' LYS . 20.8 mt -60.74 -46.4 90.6 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.009 0.433 . . . . 10.0 110.383 179.62 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 -68.32 -31.95 71.74 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.076 -0.511 . . . . 10.0 109.858 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -65.5 -46.21 80.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.045 -0.525 . . . . 10.0 109.759 178.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 282' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' A' ' 278' ' ' PRO . 53.4 mt-10 -62.14 -44.55 96.38 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.367 -0.605 . . . . 10.0 109.367 178.498 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 34.8 mt -62.35 -44.2 97.03 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.381 -0.827 . . . . 10.0 110.866 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -66.3 -46.86 75.48 Favored 'General case' 0 C--O 1.234 0.249 0 O-C-N 123.063 0.227 . . . . 10.0 111.422 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -62.52 -48.42 79.63 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 109.544 -0.539 . . . . 10.0 109.544 179.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -61.04 -37.71 94.34 Favored Glycine 0 N--CA 1.447 -0.592 0 N-CA-C 111.097 -0.801 . . . . 10.0 111.097 178.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -62.35 -46.55 88.14 Favored 'General case' 0 CA--C 1.515 -0.376 0 N-CA-C 109.616 -0.513 . . . . 10.0 109.616 178.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 288' ' ' ARG . . . . . 0.431 ' O ' ' HB2' ' A' ' 292' ' ' HIS . 68.7 mtt180 -58.93 -47.52 84.77 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-O 121.034 0.445 . . . . 10.0 109.917 179.412 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.43 -54.64 43.2 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.186 -0.916 . . . . 10.0 110.937 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 65.0 mttt -63.4 -38.67 92.03 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.184 -0.462 . . . . 10.0 112.162 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 291' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 291' ' ' LEU . 17.3 mt -68.67 -42.69 77.52 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.095 -0.335 . . . . 10.0 110.095 179.118 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 292' ' ' HIS . . . . . 0.431 ' HB2' ' O ' ' A' ' 288' ' ' ARG . 0.2 OUTLIER -61.72 -40.35 94.74 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.479 -0.563 . . . . 10.0 109.479 178.783 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.07 -41.52 98.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.877 -0.601 . . . . 10.0 109.828 178.395 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 79.9 mt -67.2 -43.76 81.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.65 -0.705 . . . . 10.0 110.403 179.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -63.33 -33.83 76.37 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.16 0.505 . . . . 10.0 110.256 179.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -64.78 -15.06 61.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.505 -0.771 . . . . 10.0 110.587 178.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . 0.564 ' HB3' HD12 ' A' ' 301' ' ' LEU . 10.5 mmtp -109.65 -34.34 6.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.012 178.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 298' ' ' LEU . . . . . 0.479 ' O ' ' HA3' ' A' ' 302' ' ' GLY . 79.3 mt -63.6 -25.74 68.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.322 -0.399 . . . . 10.0 111.578 179.594 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 299' ' ' SER . . . . . 0.583 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 3.7 m -80.2 -67.49 0.23 Allowed Pre-proline 0 CA--C 1.536 0.417 0 N-CA-C 112.456 0.539 . . . . 10.0 112.456 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 300' ' ' PRO . . . . . 0.583 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 36.8 Cg_endo -65.95 -54.08 0.6 Allowed 'Trans proline' 0 C--N 1.359 1.084 0 C-N-CA 121.792 1.661 . . . . 10.0 112.26 -179.308 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 301' ' ' LEU . . . . . 0.564 HD12 ' HB3' ' A' ' 297' ' ' LYS . 94.4 mt -64.66 -29.05 70.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.947 0.404 . . . . 10.0 110.01 179.678 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 302' ' ' GLY . . . . . 0.479 ' HA3' ' O ' ' A' ' 298' ' ' LEU . . . -66.83 -53.28 28.17 Favored Glycine 0 N--CA 1.448 -0.516 0 N-CA-C 110.883 -0.887 . . . . 10.0 110.883 178.726 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 303' ' ' GLU . . . . . 0.425 ' HA ' ' HD2' ' A' ' 306' ' ' ARG . 20.7 mt-10 -64.75 -34.23 77.85 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.159 0.504 . . . . 10.0 109.685 178.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -62.16 -43.64 98.37 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.695 -0.854 . . . . 10.0 108.695 177.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 16.1 tpt -66.38 -38.75 88.22 Favored 'General case' 0 C--O 1.22 -0.46 0 CA-C-N 115.732 -0.667 . . . . 10.0 109.514 178.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 306' ' ' ARG . . . . . 0.425 ' HD2' ' HA ' ' A' ' 303' ' ' GLU . 95.1 mtt180 -61.84 -43.86 98.0 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.139 179.271 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 307' ' ' ASP . . . . . 0.63 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 13.7 t70 -69.32 -43.85 72.9 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 116.059 -0.518 . . . . 10.0 110.592 179.682 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 308' ' ' ARG . . . . . 0.464 ' HD3' ' HA ' ' A' ' 308' ' ' ARG . 15.3 mmt180 -63.08 -35.76 81.34 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.735 -0.468 . . . . 10.0 109.735 178.214 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 309' ' ' ALA . . . . . 0.43 ' O ' HG23 ' A' ' 313' ' ' VAL . . . -65.99 -35.69 81.25 Favored 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 108.92 -0.77 . . . . 10.0 108.92 178.051 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 310' ' ' ARG . . . . . 0.63 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 78.4 mtt180 -58.63 -52.19 66.73 Favored 'General case' 0 CA--C 1.518 -0.251 0 N-CA-C 108.509 -0.923 . . . . 10.0 108.509 178.214 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -63.89 -38.65 91.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.599 -0.728 . . . . 10.0 110.348 179.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -56.13 -50.62 70.58 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.875 179.518 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 313' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 309' ' ' ALA . 9.7 t -78.82 -34.02 16.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.383 -179.483 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -60.35 -49.3 78.12 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 109.908 -0.405 . . . . 10.0 109.908 178.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -64.22 -31.53 72.76 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 109.31 -0.626 . . . . 10.0 109.31 178.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 10.7 mt -68.56 -47.0 67.97 Favored 'General case' 0 C--O 1.219 -0.545 0 CA-C-N 115.68 -0.691 . . . . 10.0 109.945 178.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 31.4 mtt85 -61.75 -40.38 94.91 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.789 0.328 . . . . 10.0 110.131 179.366 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 27.8 m -63.24 -26.98 69.04 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.679 -0.692 . . . . 10.0 110.549 179.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 14.4 m80 -91.74 -42.43 10.14 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.314 179.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 320' ' ' LEU . . . . . 0.465 ' HA ' ' HB2' ' A' ' 323' ' ' TYR . 89.2 mt -62.56 -28.9 70.19 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.354 0.501 . . . . 10.0 112.354 -179.502 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 321' ' ' ALA . . . . . 0.403 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -57.56 -63.24 3.99 Favored Pre-proline 0 C--O 1.237 0.41 0 N-CA-C 111.528 0.196 . . . . 10.0 111.528 179.263 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 322' ' ' PRO . . . . . 0.403 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 29.9 Cg_endo -66.43 -32.53 40.15 Favored 'Trans proline' 0 C--N 1.356 0.958 0 C-N-CA 121.306 1.337 . . . . 10.0 110.999 178.25 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 323' ' ' TYR . . . . . 0.465 ' HB2' ' HA ' ' A' ' 320' ' ' LEU . 3.1 m-85 -59.27 -51.14 71.23 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.315 -0.402 . . . . 10.0 111.094 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 34.1 p -68.69 -39.43 80.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.42 -0.354 . . . . 10.0 110.972 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 325' ' ' ASP . . . . . 0.499 ' HA ' ' HD2' ' A' ' 328' ' ' ARG . 12.7 t70 -62.02 -40.97 97.51 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.917 0.389 . . . . 10.0 110.374 179.354 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -69.3 -35.61 76.17 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.223 -0.658 . . . . 10.0 109.223 178.024 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 28.7 mt -62.81 -35.68 80.67 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.493 -0.558 . . . . 10.0 109.493 178.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 328' ' ' ARG . . . . . 0.499 ' HD2' ' HA ' ' A' ' 325' ' ' ASP . 65.7 mtt180 -61.98 -42.69 99.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.675 -0.693 . . . . 10.0 109.591 178.678 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -66.48 -42.97 86.68 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.921 -0.77 . . . . 10.0 108.921 178.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 330' ' ' ARG . . . . . 0.586 HH21 ' HB3' ' D' ' 447' ' ' GLU . 22.0 mtt-85 -59.83 -47.81 84.22 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.126 -0.943 . . . . 10.0 110.154 178.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 79.7 mt -63.7 -39.37 94.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.54 179.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -62.68 -40.06 95.91 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.995 -0.372 . . . . 10.0 109.995 179.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -72.07 -42.94 65.62 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.95 -0.568 . . . . 10.0 110.017 178.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 334' ' ' ARG . . . . . 0.53 ' HD3' ' OE1' ' D' ' 440' ' ' GLU . 18.9 mmt180 -60.17 -49.58 77.05 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 115.95 -0.568 . . . . 10.0 109.769 178.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 79.4 mt -64.29 -33.66 76.33 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.695 -0.684 . . . . 10.0 110.751 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -66.02 -48.66 70.39 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.597 -0.52 . . . . 10.0 109.597 178.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -61.41 -41.66 97.51 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.093 -0.706 . . . . 10.0 109.093 178.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 34.7 mt -64.32 -33.12 75.1 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-N 115.662 -0.699 . . . . 10.0 111.003 178.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 45.6 mttt -78.04 -44.79 25.44 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.755 -0.202 . . . . 10.0 110.797 179.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -62.24 -54.63 38.03 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.042 -0.527 . . . . 10.0 110.46 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -72.44 -32.33 66.2 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.966 -0.561 . . . . 10.0 109.938 179.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -62.94 -46.07 94.33 Favored Glycine 0 CA--C 1.507 -0.468 0 N-CA-C 111.56 -0.616 . . . . 10.0 111.56 179.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -60.63 -35.74 90.08 Favored Glycine 0 N--CA 1.452 -0.297 0 N-CA-C 110.755 -0.938 . . . . 10.0 110.755 178.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -69.24 -45.2 70.35 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.004 -0.739 . . . . 10.0 109.004 178.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 31.0 mtm180 -61.3 -39.59 91.02 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 115.788 -0.642 . . . . 10.0 110.283 179.027 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 43.5 mt -61.65 -50.44 72.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 10.0 109.852 178.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.13 -42.43 98.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.331 179.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 348' ' ' GLU . . . . . 0.451 ' HB3' ' HE2' ' A' ' 352' ' ' LYS . 17.3 mt-10 -66.61 -46.65 75.18 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.99 179.469 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -60.9 -37.35 81.91 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.88 179.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -62.96 -43.11 99.7 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.569 -0.53 . . . . 10.0 109.569 178.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 351' ' ' ALA . . . . . 0.423 ' O ' ' HG2' ' A' ' 355' ' ' GLU . . . -64.83 -47.5 77.77 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.796 -0.638 . . . . 10.0 109.733 178.706 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 352' ' ' LYS . . . . . 0.451 ' HE2' ' HB3' ' A' ' 348' ' ' GLU . 21.4 mttm -60.67 -38.52 85.2 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.712 -0.676 . . . . 10.0 110.719 179.269 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.41 -39.35 85.52 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.236 -0.438 . . . . 10.0 109.843 179.044 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 93.8 m -64.95 -43.19 93.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.134 179.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 355' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 351' ' ' ALA . 12.2 mm-40 -62.17 -37.02 83.65 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 108.948 -0.76 . . . . 10.0 108.948 178.44 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -68.01 -33.13 74.03 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 115.185 -0.916 . . . . 10.0 109.33 178.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 74.7 mt -70.67 -39.88 73.3 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.266 178.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 15.6 m -59.65 -43.74 93.78 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 121.153 0.501 . . . . 10.0 109.784 178.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 359' ' ' THR . . . . . 0.4 ' O ' ' HB2' ' A' ' 362' ' ' GLU . 1.1 p -76.87 -28.41 55.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.806 -0.633 . . . . 10.0 110.502 179.256 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 360' ' ' LEU . . . . . 0.456 HD12 ' HD2' ' A' ' 363' ' ' LYS . 43.0 tp -66.03 -30.42 70.95 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 108.911 -0.774 . . . . 10.0 108.911 178.33 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 14.9 m -65.49 -29.48 70.14 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.564 -0.744 . . . . 10.0 109.385 178.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 362' ' ' GLU . . . . . 0.59 ' OE2' ' HE3' ' D' ' 414' ' ' LYS . 5.0 mm-40 -70.71 -20.42 62.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.742 -0.663 . . . . 10.0 109.837 178.543 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 363' ' ' LYS . . . . . 0.66 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 79.7 mttt -94.71 -39.08 10.49 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.493 -0.776 . . . . 10.0 109.675 179.633 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -74.35 -24.94 59.25 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.759 -0.655 . . . . 10.0 112.528 -179.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 365' ' ' LYS . . . . . 0.964 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 82.7 mttt -110.26 -76.96 0.01 OUTLIER Pre-proline 0 CA--C 1.538 0.495 0 N-CA-C 112.859 0.688 . . . . 10.0 112.859 179.544 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 366' ' ' PRO . . . . . 0.964 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 45.1 Cg_exo -57.18 -49.7 13.33 Favored 'Trans proline' 0 C--N 1.357 1.014 0 C-N-CA 121.972 1.781 . . . . 10.0 113.522 -179.289 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 367' ' ' ALA . . . . . 0.66 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -63.11 -54.09 43.29 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.626 0.232 . . . . 10.0 111.626 179.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 11.9 mt -58.19 -40.1 80.65 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 111.696 0.258 . . . . 10.0 111.696 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 56.8 tt0 -64.73 -51.12 64.06 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.98 -0.378 . . . . 10.0 109.98 179.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -59.12 -36.7 75.66 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.088 0.471 . . . . 10.0 109.743 179.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 61.3 mt -63.07 -52.8 61.32 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.752 -0.658 . . . . 10.0 109.867 178.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -62.27 -41.23 98.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.051 -0.522 . . . . 10.0 111.447 -179.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -62.06 -31.11 71.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.947 0.403 . . . . 10.0 110.972 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -89.66 -32.75 9.8 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.699 -0.762 . . . . 10.0 111.596 179.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 20.7 mt -68.0 -35.41 78.27 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.785 0.291 . . . . 10.0 111.785 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 376' ' ' LEU . . . . . 0.534 ' O ' ' HG3' ' A' ' 380' ' ' GLU . 31.4 mt -52.35 -61.02 5.07 Favored Pre-proline 0 CA--C 1.535 0.4 0 N-CA-C 112.075 0.398 . . . . 10.0 112.075 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -61.66 -35.71 79.03 Favored 'Trans proline' 0 C--N 1.359 1.093 0 C-N-CA 121.71 1.607 . . . . 10.0 111.872 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 35.8 t -61.69 -45.15 99.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 N-CA-C 109.85 -0.426 . . . . 10.0 109.85 179.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 87.4 mt -62.42 -35.4 79.13 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 115.965 -0.562 . . . . 10.0 109.929 178.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 380' ' ' GLU . . . . . 0.534 ' HG3' ' O ' ' A' ' 376' ' ' LEU . 94.7 mt-10 -63.15 -47.51 82.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.029 179.163 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.38 -32.24 73.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.211 0.529 . . . . 10.0 110.03 179.036 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -64.3 -43.17 95.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.533 -0.758 . . . . 10.0 109.669 178.644 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -62.62 -40.49 97.13 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.187 179.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 384' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 380' ' ' GLU . 84.2 t -62.97 -48.03 89.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.786 179.499 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 2.5 p -68.88 -33.83 74.42 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.405 -0.361 . . . . 10.0 111.259 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 386' ' ' PHE . . . . . 0.403 ' O ' ' HG ' ' A' ' 390' ' ' LEU . 3.0 m-85 -71.0 -44.56 65.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.591 -0.277 . . . . 10.0 111.056 179.368 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 387' ' ' LEU . . . . . 0.532 ' O ' ' HG3' ' A' ' 391' ' ' GLU . 34.8 mt -60.02 -45.04 94.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.356 -0.384 . . . . 10.0 110.58 179.595 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 388' ' ' SER . . . . . 0.581 ' HB2' ' HE2' ' D' ' 594' ' ' LYS . 3.2 p -67.59 -35.97 79.99 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.65 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -63.55 -42.94 98.34 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.429 -0.35 . . . . 10.0 110.071 179.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 390' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 386' ' ' PHE . 96.6 mt -61.3 -37.07 81.87 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.079 0.466 . . . . 10.0 109.832 179.014 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 391' ' ' GLU . . . . . 0.532 ' HG3' ' O ' ' A' ' 387' ' ' LEU . 56.2 mt-10 -68.91 -44.46 73.11 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.242 -0.651 . . . . 10.0 109.242 178.228 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -54.99 -40.97 70.65 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.844 179.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -66.59 -53.99 28.33 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.236 179.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 23.2 m -60.46 -40.44 91.21 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 112.218 0.451 . . . . 10.0 112.218 -179.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -62.44 -28.61 69.93 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 112.94 0.719 . . . . 10.0 112.94 -179.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 396' ' ' LYS . . . . . 0.589 ' HE2' ' HA ' ' D' ' 587' ' ' ALA . 13.5 mptt -108.29 -21.09 12.91 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 113.472 0.916 . . . . 10.0 113.472 -178.722 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 39.6 mt -94.25 -14.76 25.17 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.064 0.394 . . . . 10.0 112.064 -179.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 63.3 t30 . . . . . 0 C--N 1.324 -0.514 0 CA-C-O 120.82 0.343 . . . . 10.0 110.783 179.986 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' D' D ' 399' ' ' LEU . . . . . 0.408 ' HA ' HD13 ' D' ' 399' ' ' LEU . 3.4 mm? . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.947 0.403 . . . . 10.0 110.716 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -112.96 26.29 10.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.326 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 67.5 mt -63.07 -45.23 93.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.004 -0.544 . . . . 10.0 111.096 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 54.8 mt -66.63 -35.66 80.7 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.213 -0.449 . . . . 10.0 110.584 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -61.4 -48.91 79.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.432 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -72.5 -39.52 67.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.903 -0.59 . . . . 10.0 111.095 -179.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -64.59 -37.34 87.22 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.988 -179.607 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -61.04 -36.77 80.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.422 -0.354 . . . . 10.0 110.977 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.42 -39.58 94.88 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 108.915 -0.772 . . . . 10.0 108.915 178.72 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 30.7 t -68.06 -36.31 74.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 CA-C-N 115.442 -0.799 . . . . 10.0 109.483 179.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 9.0 m -63.38 -38.45 91.21 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 109.275 -0.639 . . . . 10.0 109.275 178.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 16.6 m -65.77 -42.35 90.93 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.988 -0.551 . . . . 10.0 109.519 178.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 411' ' ' THR . . . . . 0.473 ' O ' ' HG ' ' D' ' 415' ' ' LEU . 26.8 m -64.18 -39.27 93.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.099 -0.501 . . . . 10.0 110.23 178.648 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -61.74 -41.32 97.51 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.313 -0.625 . . . . 10.0 109.313 178.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 413' ' ' SER . . . . . 0.446 ' O ' ' HG3' ' D' ' 417' ' ' GLU . 41.5 m -65.44 -40.86 93.79 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.458 -0.792 . . . . 10.0 110.059 178.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 414' ' ' LYS . . . . . 0.59 ' HE3' ' OE2' ' A' ' 362' ' ' GLU . 51.8 mmtt -65.14 -32.33 73.96 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-O 121.028 0.442 . . . . 10.0 110.385 178.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 415' ' ' LEU . . . . . 0.596 ' O ' ' HG ' ' D' ' 419' ' ' LEU . 85.2 mt -65.94 -39.56 90.58 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 108.747 -0.834 . . . . 10.0 108.747 178.131 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 70.5 mtt180 -69.64 -35.95 75.67 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.816 -0.629 . . . . 10.0 109.92 179.265 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 417' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' D' ' 413' ' ' SER . 19.2 mt-10 -64.78 -21.58 66.8 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.98 -0.554 . . . . 10.0 109.717 178.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -89.23 -44.55 10.2 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.492 -0.929 . . . . 10.0 108.492 177.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 419' ' ' LEU . . . . . 0.596 ' HG ' ' O ' ' D' ' 415' ' ' LEU . 82.5 mt -48.32 -55.2 11.29 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 115.329 -0.851 . . . . 10.0 111.949 -179.637 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -47.87 -71.72 0.53 Allowed Glycine 0 CA--C 1.523 0.554 0 O-C-N 123.493 0.496 . . . . 10.0 113.738 -179.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 421' ' ' PRO . . . . . 0.515 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 34.2 Cg_exo -58.97 -45.18 29.87 Favored 'Trans proline' 0 CA--C 1.532 0.398 0 C-N-CA 122.838 2.359 . . . . 10.0 113.035 179.707 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 51.9 t -60.38 -46.88 94.45 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.201 0 N-CA-C 112.934 0.716 . . . . 10.0 112.934 -178.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 28.6 p -61.59 -40.25 94.11 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.726 -0.39 . . . . 10.0 111.181 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -58.85 -51.57 69.43 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.021 0.439 . . . . 10.0 110.52 179.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 425' ' ' GLU . . . . . 0.515 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 8.7 pt-20 -72.38 -29.47 63.79 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.552 -0.459 . . . . 10.0 111.433 179.551 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 426' ' ' PHE . . . . . 0.499 ' O ' ' HG ' ' D' ' 430' ' ' LEU . 30.4 t80 -67.87 -41.31 83.05 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 109.545 -0.539 . . . . 10.0 109.545 178.573 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 6.3 m0 -62.26 -49.09 77.08 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 115.858 -0.61 . . . . 10.0 109.426 178.265 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 428' ' ' ASP . . . . . 0.451 ' O ' ' HG3' ' D' ' 432' ' ' LYS . 35.2 t70 -62.87 -35.09 78.86 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.603 -0.518 . . . . 10.0 109.603 178.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -63.84 -46.28 85.74 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 108.914 -0.772 . . . . 10.0 108.914 177.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 430' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' D' ' 426' ' ' PHE . 95.6 mt -65.15 -36.38 84.05 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.595 -0.729 . . . . 10.0 110.191 179.065 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -62.74 -37.57 87.09 Favored 'General case' 0 CA--C 1.521 -0.15 0 N-CA-C 110.094 -0.335 . . . . 10.0 110.094 178.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 432' ' ' LYS . . . . . 0.451 ' HG3' ' O ' ' D' ' 428' ' ' ASP . 42.6 mttp -64.7 -35.93 82.63 Favored 'General case' 0 CA--C 1.519 -0.215 0 N-CA-C 108.817 -0.809 . . . . 10.0 108.817 177.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -69.54 -47.89 62.22 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.356 -0.838 . . . . 10.0 110.629 179.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.76 -42.99 99.94 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 121.017 -0.273 . . . . 10.0 110.682 179.496 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 435' ' ' GLU . . . . . 0.523 ' O ' ' HG3' ' D' ' 439' ' ' GLN . 12.0 mm-40 -65.6 -44.83 85.4 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.595 -0.275 . . . . 10.0 110.338 178.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 436' ' ' GLY . . . . . 0.504 ' O ' ' HG3' ' D' ' 440' ' ' GLU . . . -62.14 -44.91 97.08 Favored Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 110.409 -1.076 . . . . 10.0 110.409 178.613 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 10.5 mt -61.2 -38.11 85.39 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.736 -0.468 . . . . 10.0 109.736 178.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 55.4 mtt180 -66.52 -31.23 71.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.523 -0.308 . . . . 10.0 111.014 179.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 439' ' ' GLN . . . . . 0.523 ' HG3' ' O ' ' D' ' 435' ' ' GLU . 96.0 mt-30 -68.65 -29.82 68.38 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-O 121.278 0.561 . . . . 10.0 109.666 178.433 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 440' ' ' GLU . . . . . 0.53 ' OE1' ' HD3' ' A' ' 334' ' ' ARG . 24.9 mt-10 -85.93 -49.2 8.04 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.515 -0.766 . . . . 10.0 110.032 179.108 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 97.9 mmm -60.39 -29.82 69.19 Favored 'General case' 0 CA--C 1.522 -0.125 0 CA-C-N 115.639 -0.709 . . . . 10.0 112.775 -178.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 3.0 p -62.93 -56.68 15.09 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.026 -0.731 . . . . 10.0 109.026 178.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 59.1 tttp -63.26 -39.83 95.7 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.57 -0.741 . . . . 10.0 109.497 178.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 444' ' ' ASP . . . . . 0.713 ' O ' ' HB ' ' D' ' 448' ' ' VAL . 12.0 t0 -58.08 -53.89 53.14 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.496 -0.774 . . . . 10.0 111.671 -179.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 445' ' ' LEU . . . . . 0.5 ' O ' HG12 ' D' ' 448' ' ' VAL . 67.7 mt -73.08 -44.0 61.1 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 113.339 0.866 . . . . 10.0 113.339 -178.604 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -64.75 -43.14 94.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.854 0.359 . . . . 10.0 111.326 -179.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 447' ' ' GLU . . . . . 0.586 ' HB3' HH21 ' A' ' 330' ' ' ARG . 31.1 tt0 -75.73 -29.06 58.77 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.459 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 448' ' ' VAL . . . . . 0.713 ' HB ' ' O ' ' D' ' 444' ' ' ASP . 0.3 OUTLIER -63.64 -28.33 44.77 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.194 0 CA-C-O 120.767 0.317 . . . . 10.0 110.184 179.421 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -64.29 -42.43 96.39 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 108.263 -1.014 . . . . 10.0 108.263 178.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -81.42 7.49 11.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.496 -0.775 . . . . 10.0 110.571 179.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 451' ' ' LYS . . . . . 0.526 ' O ' ' HB2' ' D' ' 455' ' ' TYR . 48.9 mttm -113.89 -45.7 3.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.365 179.33 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 87.3 t -69.38 -35.91 69.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 CA-C-N 116.152 -0.476 . . . . 10.0 111.04 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -58.92 -59.2 14.58 Favored Pre-proline 0 C--N 1.325 -0.468 0 N-CA-C 112.231 0.456 . . . . 10.0 112.231 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -67.33 -23.17 44.91 Favored 'Trans proline' 0 C--N 1.356 0.962 0 C-N-CA 121.952 1.768 . . . . 10.0 110.979 178.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 455' ' ' TYR . . . . . 0.526 ' HB2' ' O ' ' D' ' 451' ' ' LYS . 55.2 t80 -68.62 -51.65 39.99 Favored 'General case' 0 CA--C 1.516 -0.347 0 N-CA-C 109.107 -0.701 . . . . 10.0 109.107 179.266 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 44.3 mt -68.28 -27.88 66.71 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.622 -0.717 . . . . 10.0 110.423 179.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -68.59 -50.75 49.18 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.482 -0.562 . . . . 10.0 109.482 178.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 458' ' ' ASP . . . . . 0.61 ' HA ' ' HD2' ' D' ' 461' ' ' LYS . 33.0 t70 -63.83 -37.76 88.58 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 121.286 0.565 . . . . 10.0 109.584 178.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -67.85 -39.91 83.76 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.736 -0.665 . . . . 10.0 110.114 178.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -65.16 -37.92 88.9 Favored 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 109.468 -0.567 . . . . 10.0 109.468 178.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 461' ' ' LYS . . . . . 0.61 ' HD2' ' HA ' ' D' ' 458' ' ' ASP . 64.9 mttt -58.37 -46.33 86.55 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.817 -0.808 . . . . 10.0 108.817 178.003 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 10.8 mtmm -65.87 -38.83 89.83 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.287 -0.87 . . . . 10.0 110.271 178.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 24.6 m0 -65.92 -39.31 90.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.362 -0.381 . . . . 10.0 110.073 178.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -63.53 -47.45 81.59 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 108.384 -0.969 . . . . 10.0 108.384 178.122 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 465' ' ' GLU . . . . . 0.504 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 44.1 mt-10 -58.73 -49.75 76.46 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.424 -0.807 . . . . 10.0 109.897 178.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -45.14 94.32 Favored 'General case' 0 C--N 1.331 -0.214 0 O-C-N 123.453 0.471 . . . . 10.0 111.637 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 58.2 mtm -61.03 -41.15 96.03 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.813 -0.44 . . . . 10.0 109.813 178.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -68.06 -42.21 80.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 10.0 109.756 178.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 469' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' D' ' 465' ' ' GLU . 64.9 mt -61.56 -44.3 97.29 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.138 179.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 20.1 m-30 -61.5 -32.75 72.79 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.697 179.132 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 471' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' D' ' 471' ' ' ARG . 45.1 mtt180 -71.08 -24.73 62.37 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.381 -0.372 . . . . 10.0 110.147 178.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -102.94 3.26 36.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.919 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 473' ' ' LYS . . . . . 0.439 ' HE2' ' HB3' ' D' ' 469' ' ' LEU . 51.6 mttm -127.18 -75.51 0.58 Allowed 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 116.117 -0.492 . . . . 10.0 111.19 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 46.0 t -57.71 -43.36 83.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 N-CA-C 111.851 0.315 . . . . 10.0 111.851 -179.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -59.85 -59.38 14.02 Favored Pre-proline 0 CA--C 1.537 0.459 0 N-CA-C 112.977 0.732 . . . . 10.0 112.977 -179.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -64.56 -35.75 46.5 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 121.605 1.537 . . . . 10.0 111.173 178.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 21.5 mt -66.98 -27.61 67.58 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 116.469 -0.332 . . . . 10.0 110.763 179.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 478' ' ' ARG . . . . . 0.502 ' O ' ' HB2' ' D' ' 482' ' ' GLN . 9.6 ttt180 -62.4 -41.3 98.57 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.995 -0.743 . . . . 10.0 108.995 178.613 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -75.18 -36.61 61.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.584 -0.735 . . . . 10.0 110.084 179.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -65.67 -45.83 81.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.978 -0.555 . . . . 10.0 109.607 179.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 90.6 mt -70.96 -30.17 66.38 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.959 -0.564 . . . . 10.0 109.638 178.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 482' ' ' GLN . . . . . 0.502 ' HB2' ' O ' ' D' ' 478' ' ' ARG . 47.4 tp60 -66.2 -43.39 86.88 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 109.327 -0.62 . . . . 10.0 109.327 178.649 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -63.56 -41.42 98.41 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 108.548 -0.908 . . . . 10.0 108.548 178.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -66.02 -38.41 94.06 Favored Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 110.623 -0.991 . . . . 10.0 110.623 178.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -65.99 -39.72 90.57 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.434 -0.58 . . . . 10.0 109.434 178.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 75.2 mtt180 -64.44 -43.98 92.6 Favored 'General case' 0 CA--C 1.514 -0.406 0 N-CA-C 108.335 -0.987 . . . . 10.0 108.335 178.159 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 487' ' ' GLN . . . . . 0.41 ' O ' ' HG3' ' D' ' 491' ' ' GLU . 14.9 mm100 -59.81 -45.13 93.31 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.353 -0.84 . . . . 10.0 109.859 178.144 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 63.8 tttt -66.52 -38.23 86.74 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-N 116.422 -0.354 . . . . 10.0 110.44 179.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.31 -41.69 98.97 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 108.468 -0.938 . . . . 10.0 108.468 178.338 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -62.67 -44.06 97.22 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 108.82 -0.807 . . . . 10.0 108.82 177.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 491' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' D' ' 487' ' ' GLN . 37.7 mt-10 -59.88 -44.78 94.0 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.794 -0.639 . . . . 10.0 109.331 178.503 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 89.3 mt -68.4 -38.33 81.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.518 -0.765 . . . . 10.0 111.32 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -61.98 -38.3 88.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.302 0.572 . . . . 10.0 109.612 178.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -73.95 4.88 4.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.399 -0.819 . . . . 10.0 110.988 178.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 495' ' ' LYS . . . . . 0.758 ' HE3' HD22 ' A' ' 279' ' ' LEU . 49.6 mttp -121.13 -46.87 2.29 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.643 -0.708 . . . . 10.0 109.754 178.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 496' ' ' LEU . . . . . 0.491 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 18.9 mt -61.05 -25.46 66.94 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.161 -0.472 . . . . 10.0 111.807 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 497' ' ' SER . . . . . 0.543 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 1.9 m -81.06 -64.5 0.28 Allowed Pre-proline 0 CA--C 1.542 0.66 0 C-N-CA 120.748 -0.381 . . . . 10.0 111.698 179.348 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 498' ' ' PRO . . . . . 0.543 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 33.2 Cg_endo -66.01 -49.08 2.27 Favored 'Trans proline' 0 C--N 1.357 1.012 0 C-N-CA 121.907 1.738 . . . . 10.0 112.474 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 499' ' ' LEU . . . . . 0.579 ' HB2' ' O ' ' D' ' 495' ' ' LYS . 40.7 mt -71.86 -29.11 64.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.823 0.344 . . . . 10.0 110.09 179.559 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 500' ' ' GLY . . . . . 0.491 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -64.79 -51.8 48.28 Favored Glycine 0 N--CA 1.448 -0.507 0 N-CA-C 109.905 -1.278 . . . . 10.0 109.905 178.596 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 501' ' ' GLU . . . . . 0.438 ' HA ' ' HD2' ' D' ' 504' ' ' ARG . 20.2 mt-10 -65.63 -32.97 74.83 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 109.722 -0.473 . . . . 10.0 109.722 178.377 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 502' ' ' GLU . . . . . 0.56 ' HG2' ' HE ' ' D' ' 506' ' ' ARG . 28.5 tt0 -65.4 -46.64 79.24 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.798 -0.637 . . . . 10.0 109.92 179.301 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 503' ' ' MET . . . . . 0.408 ' HA ' ' HD2' ' D' ' 506' ' ' ARG . 89.2 mmm -61.99 -36.93 82.98 Favored 'General case' 0 CA--C 1.52 -0.182 0 N-CA-C 109.286 -0.635 . . . . 10.0 109.286 178.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 504' ' ' ARG . . . . . 0.438 ' HD2' ' HA ' ' D' ' 501' ' ' GLU . 87.2 mtt180 -63.68 -44.58 93.3 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-N 115.61 -0.723 . . . . 10.0 109.222 177.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 505' ' ' ASP . . . . . 0.498 ' HA ' ' HD2' ' D' ' 508' ' ' ARG . 0.5 OUTLIER -64.16 -42.82 96.59 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.275 179.069 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' D' D ' 506' ' ' ARG . . . . . 0.56 ' HE ' ' HG2' ' D' ' 502' ' ' GLU . 56.4 mtt180 -59.09 -48.14 82.68 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 108.801 -0.814 . . . . 10.0 108.801 178.14 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -60.69 -40.1 90.93 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.669 -0.696 . . . . 10.0 110.309 179.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 508' ' ' ARG . . . . . 0.498 ' HD2' ' HA ' ' D' ' 505' ' ' ASP . 78.3 mtt180 -59.04 -45.94 89.47 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.501 -0.555 . . . . 10.0 109.501 178.734 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 509' ' ' ALA . . . . . 0.602 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -63.58 -38.41 91.01 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.353 -0.84 . . . . 10.0 110.955 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 510' ' ' HIS . . . . . 0.524 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 68.2 m-70 -70.34 -48.22 57.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.44 -0.346 . . . . 10.0 110.513 179.321 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 70.8 t -63.12 -45.21 99.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.361 -0.382 . . . . 10.0 110.744 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 512' ' ' ASP . . . . . 0.413 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 29.0 t70 -62.27 -37.2 84.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.086 0.47 . . . . 10.0 110.671 179.617 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -66.63 -42.06 87.32 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.842 -0.799 . . . . 10.0 108.842 178.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 514' ' ' LEU . . . . . 0.535 ' HA ' ' HB2' ' D' ' 517' ' ' HIS . 97.8 mt -60.48 -26.21 66.63 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.638 179.123 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 515' ' ' ARG . . . . . 0.498 ' O ' ' HD3' ' D' ' 520' ' ' PRO . 76.7 mtt180 -68.56 -24.12 64.58 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.926 -0.398 . . . . 10.0 109.926 178.654 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -108.2 -4.76 17.31 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.349 0.595 . . . . 10.0 109.981 179.37 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 517' ' ' HIS . . . . . 0.535 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 27.4 m170 -105.41 -69.37 0.82 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.678 -0.692 . . . . 10.0 111.562 -179.473 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 38.1 mt -74.3 -46.19 42.65 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.858 0.688 . . . . 10.0 112.858 -178.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 519' ' ' ALA . . . . . 0.631 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -54.29 -57.92 16.19 Favored Pre-proline 0 N--CA 1.467 0.388 0 N-CA-C 113.235 0.828 . . . . 10.0 113.235 -179.122 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 520' ' ' PRO . . . . . 0.631 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 32.5 Cg_exo -64.16 -34.98 55.14 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 121.937 1.758 . . . . 10.0 110.904 179.251 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 521' ' ' TYR . . . . . 0.503 ' HB2' ' O ' ' D' ' 517' ' ' HIS . 12.4 t80 -65.0 -32.18 73.78 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.021 179.177 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 522' ' ' SER . . . . . 0.513 ' O ' ' HG3' ' D' ' 526' ' ' ARG . 41.8 m -65.94 -34.02 77.15 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 109.162 -0.681 . . . . 10.0 109.162 178.62 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 523' ' ' ASP . . . . . 0.581 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 34.4 t70 -71.91 -41.18 68.22 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-N 115.698 -0.683 . . . . 10.0 109.308 178.664 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -67.16 -32.23 73.18 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 109.146 -0.687 . . . . 10.0 109.146 178.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 22.6 mt -67.04 -34.01 76.76 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-N 115.63 -0.714 . . . . 10.0 109.368 177.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 526' ' ' ARG . . . . . 0.581 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 72.8 mtt180 -62.46 -37.72 87.04 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.076 -0.511 . . . . 10.0 109.839 178.589 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -63.06 -39.78 95.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.536 0.684 . . . . 10.0 109.796 179.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 528' ' ' ARG . . . . . 0.558 ' HB3' ' OE1' ' A' ' 242' ' ' GLU . 80.2 mtt180 -75.03 -48.12 25.61 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.014 -0.994 . . . . 10.0 110.223 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 69.7 mt -58.38 -37.77 75.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.924 179.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -61.35 -40.69 95.21 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.892 0.377 . . . . 10.0 110.076 178.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -70.8 -43.45 68.64 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.011 -0.54 . . . . 10.0 109.728 179.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 532' ' ' ARG . . . . . 0.595 ' O ' ' HG ' ' D' ' 536' ' ' LEU . 10.5 ttm180 -59.52 -47.14 86.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.438 -0.801 . . . . 10.0 110.02 179.365 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 71.6 mt -67.31 -36.49 81.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.901 -0.591 . . . . 10.0 110.665 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -62.13 -45.79 91.91 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 109.483 -0.562 . . . . 10.0 109.483 179.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -63.58 -39.36 94.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.55 -0.75 . . . . 10.0 109.461 178.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 536' ' ' LEU . . . . . 0.595 ' HG ' ' O ' ' D' ' 532' ' ' ARG . 54.0 mt -66.48 -34.44 77.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.855 -0.611 . . . . 10.0 110.815 179.689 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -74.46 -42.3 59.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.649 179.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -64.3 -44.32 92.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.526 0.679 . . . . 10.0 109.564 179.189 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -70.94 -34.59 71.62 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.615 -0.72 . . . . 10.0 109.549 178.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -66.66 -46.55 74.96 Favored Glycine 0 CA--C 1.508 -0.38 0 N-CA-C 111.283 -0.727 . . . . 10.0 111.283 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -59.41 -38.85 94.05 Favored Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 110.606 -0.998 . . . . 10.0 110.606 178.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -69.09 -45.09 71.14 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.4 -0.593 . . . . 10.0 109.4 178.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 56.5 mtt85 -63.51 -29.66 70.9 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 115.871 -0.604 . . . . 10.0 111.4 179.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 544' ' ' LEU . . . . . 0.415 ' O ' ' HB2' ' D' ' 548' ' ' HIS . 61.3 mt -66.64 -29.66 69.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.443 0.64 . . . . 10.0 109.354 178.485 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -81.1 -42.9 20.26 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 108.411 -0.959 . . . . 10.0 108.411 178.119 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -61.19 -47.37 86.46 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.523 -0.762 . . . . 10.0 109.668 178.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -62.83 -40.65 98.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.35 179.266 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 548' ' ' HIS . . . . . 0.415 ' HB2' ' O ' ' D' ' 544' ' ' LEU . 1.3 t-80 -63.92 -43.25 96.47 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.435 -0.58 . . . . 10.0 109.435 178.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 549' ' ' ALA . . . . . 0.634 ' O ' ' HG3' ' D' ' 553' ' ' GLU . . . -64.01 -49.76 71.18 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.438 -0.801 . . . . 10.0 109.093 178.454 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.09 -40.43 85.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.996 179.68 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -63.2 -37.42 87.16 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.342 -0.614 . . . . 10.0 109.342 178.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 42.9 m -67.39 -47.49 70.17 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.889 -0.782 . . . . 10.0 108.889 178.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 553' ' ' GLU . . . . . 0.634 ' HG3' ' O ' ' D' ' 549' ' ' ALA . 31.6 mt-10 -60.29 -40.72 91.46 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.813 -0.63 . . . . 10.0 110.386 179.276 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 79.5 t60 -68.46 -41.64 79.91 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.749 -0.66 . . . . 10.0 109.86 179.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 20.8 tp -62.97 -40.27 97.2 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.307 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 1.2 p -65.0 -38.73 91.92 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.586 -0.279 . . . . 10.0 110.495 179.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 3.8 p -75.43 -31.31 60.31 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 120.855 0.359 . . . . 10.0 110.591 178.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 558' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' D' ' 558' ' ' LEU . 14.3 mt -62.8 -52.14 64.33 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 115.894 -0.594 . . . . 10.0 109.858 179.379 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 3.8 p -66.58 -35.63 80.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.447 . . . . 10.0 110.567 179.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -60.61 -32.24 71.38 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.488 -0.778 . . . . 10.0 111.287 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.06 -34.39 10.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.429 . . . . 10.0 111.721 -179.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -58.02 -45.05 87.53 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.918 0.34 . . . . 10.0 111.918 -179.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -55.44 -62.39 4.53 Favored Pre-proline 0 CA--C 1.533 0.311 0 N-CA-C 112.473 0.546 . . . . 10.0 112.473 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -63.76 -34.42 61.82 Favored 'Trans proline' 0 C--N 1.354 0.861 0 C-N-CA 121.832 1.688 . . . . 10.0 111.913 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -62.47 -52.82 61.99 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 120.593 0.235 . . . . 10.0 110.399 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 86.5 mt -59.72 -46.55 88.76 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.363 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -58.57 -53.42 58.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.981 -0.554 . . . . 10.0 111.353 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.8 -40.64 97.12 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.17 -0.468 . . . . 10.0 111.396 -179.422 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 38.3 mt -60.58 -44.25 96.41 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 110.081 -0.34 . . . . 10.0 110.081 179.128 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 -68.37 -41.83 80.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.857 0.36 . . . . 10.0 110.045 179.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -62.32 -23.72 66.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.767 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 572' ' ' GLY . . . . . 0.495 ' O ' ' HB ' ' D' ' 576' ' ' VAL . . . -96.14 -32.7 6.61 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.8 -0.714 . . . . 10.0 111.63 178.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 573' ' ' LEU . . . . . 0.436 ' HA ' HG12 ' D' ' 576' ' ' VAL . 34.9 mt -66.29 -40.76 90.26 Favored 'General case' 0 C--O 1.224 -0.254 0 C-N-CA 122.413 0.285 . . . . 10.0 111.609 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 574' ' ' LEU . . . . . 0.516 ' O ' ' HG2' ' D' ' 578' ' ' GLU . 92.2 mt -55.64 -61.19 6.64 Favored Pre-proline 0 CA--C 1.536 0.426 0 N-CA-C 112.071 0.397 . . . . 10.0 112.071 179.51 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -64.79 -37.94 32.96 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 121.851 1.701 . . . . 10.0 111.754 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 576' ' ' VAL . . . . . 0.495 ' HB ' ' O ' ' D' ' 572' ' ' GLY . 0.3 OUTLIER -64.64 -37.16 79.38 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 C-N-CA 121.306 -0.158 . . . . 10.0 111.227 -179.862 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 29.5 mt -68.65 -39.9 80.47 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 109.477 -0.564 . . . . 10.0 109.477 178.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 578' ' ' GLU . . . . . 0.576 ' HA ' ' HD2' ' D' ' 581' ' ' LYS . 23.1 mm-40 -65.12 -40.27 94.24 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.295 -0.631 . . . . 10.0 109.295 178.471 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 20.0 m -65.99 -43.96 86.25 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.209 -0.663 . . . . 10.0 109.209 178.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -60.07 -38.47 82.97 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.809 -0.632 . . . . 10.0 110.025 178.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 581' ' ' LYS . . . . . 0.576 ' HD2' ' HA ' ' D' ' 578' ' ' GLU . 91.4 mttt -57.67 -43.78 85.27 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.479 -0.563 . . . . 10.0 109.479 178.299 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 88.2 t -61.58 -43.69 97.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.765 -0.652 . . . . 10.0 110.207 179.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 1.1 m -65.07 -43.5 92.0 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.471 179.219 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -66.53 -48.05 70.98 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.128 -0.487 . . . . 10.0 111.027 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 16.1 mt -56.09 -47.82 77.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.242 -0.435 . . . . 10.0 111.305 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 11.0 p -67.26 -41.4 85.6 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.386 -0.37 . . . . 10.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 587' ' ' ALA . . . . . 0.589 ' HA ' ' HE2' ' A' ' 396' ' ' LYS . . . -62.72 -53.26 57.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.732 179.746 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 73.5 mt -60.7 -43.01 98.29 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.023 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 589' ' ' GLU . . . . . 0.502 ' O ' ' HG3' ' D' ' 593' ' ' LYS . 13.4 tt0 -58.25 -53.97 52.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.338 -0.392 . . . . 10.0 110.868 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -67.76 -35.29 78.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.26 -0.427 . . . . 10.0 111.759 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -59.37 -43.45 92.87 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-O 121.021 0.438 . . . . 10.0 110.109 179.03 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 7.4 m -65.71 -19.42 65.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.683 -0.69 . . . . 10.0 110.985 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 593' ' ' LYS . . . . . 0.502 ' HG3' ' O ' ' D' ' 589' ' ' GLU . 82.3 mttt -90.6 -36.71 14.26 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.223 -0.444 . . . . 10.0 109.973 179.273 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 594' ' ' LYS . . . . . 0.581 ' HE2' ' HB2' ' A' ' 388' ' ' SER . 8.9 mptt -75.36 -20.63 58.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.715 -0.675 . . . . 10.0 110.618 179.603 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 72.2 mt -120.17 32.79 5.86 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.688 -0.687 . . . . 10.0 109.234 178.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 . . . . . 0 C--N 1.324 -0.525 0 CA-C-N 115.42 -0.809 . . . . 10.0 111.26 -179.02 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 15.0 m . . . . . 0 C--O 1.232 0.158 0 CA-C-O 121.076 0.465 . . . . 10.0 110.507 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -102.38 157.41 16.93 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.292 -0.632 . . . . 10.0 109.292 179.561 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -130.66 122.74 27.92 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.685 -0.487 . . . . 10.0 109.685 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 99.8 m-85 -121.35 118.89 30.61 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.931 0.396 . . . . 10.0 111.302 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.423 ' HD3' HG22 ' B' ' 74' ' ' THR . 48.4 mttm -85.57 118.37 25.05 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.884 -0.598 . . . . 10.0 109.954 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.477 ' O ' ' HA ' ' B' ' 55' ' ' ILE . 12.0 mt -118.22 122.59 43.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.357 -0.383 . . . . 10.0 111.098 -178.326 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 59.3 t -108.68 123.68 64.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 116.436 -0.347 . . . . 10.0 110.191 179.346 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.656 HG12 ' HD2' ' B' ' 16' ' ' LYS . 6.3 t -90.39 107.44 18.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 110.02 -0.363 . . . . 10.0 110.02 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 5.9 m -108.61 152.99 10.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.506 -179.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 152.75 -172.42 31.83 Favored Glycine 0 N--CA 1.445 -0.759 0 CA-C-N 115.526 -0.761 . . . . 10.0 111.446 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.94 -167.04 1.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.099 0.476 . . . . 10.0 111.543 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.5 144.46 30.91 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.846 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.24 3.22 85.24 Favored Glycine 0 N--CA 1.455 -0.099 0 CA-C-N 115.983 -0.553 . . . . 10.0 113.27 179.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.461 HG12 ' HB2' ' B' ' 83' ' ' ALA . 26.8 m -76.43 -19.84 15.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.692 0.282 . . . . 10.0 111.56 -179.447 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . 0.652 ' O ' ' HG ' ' B' ' 19' ' ' LEU . . . 107.8 19.88 8.85 Favored Glycine 0 C--N 1.33 0.216 0 C-N-CA 120.478 -0.868 . . . . 10.0 114.117 178.452 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . 0.656 ' HD2' HG12 ' B' ' 8' ' ' VAL . 1.2 mtmp? -58.52 -34.68 71.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.147 0.499 . . . . 10.0 111.109 179.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 3.4 m -81.42 -42.59 20.16 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.978 -0.556 . . . . 10.0 110.085 179.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.42 -44.18 76.01 Favored 'General case' 0 C--O 1.234 0.278 0 O-C-N 123.57 0.544 . . . . 10.0 111.066 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.743 HD23 ' HB2' ' B' ' 146' ' ' ALA . 57.4 mt -64.75 -49.12 72.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.046 -0.525 . . . . 10.0 111.135 179.748 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 21.8 m -61.72 -42.96 99.65 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.324 -0.398 . . . . 10.0 111.936 -179.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.83 -31.46 53.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.989 0.423 . . . . 10.0 111.221 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' GLN . . . . . 0.437 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 5.2 mm-40 -72.17 -14.5 61.83 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.355 -0.384 . . . . 10.0 111.165 179.191 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 17.6 tp -98.06 -40.33 8.48 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.977 0.418 . . . . 10.0 110.844 179.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 37.1 mm -77.21 -77.1 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.368 -179.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -77.01 -18.76 57.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.82 0.343 . . . . 10.0 111.074 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . 0.437 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 16.5 m-80 66.22 41.17 3.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.885 -0.598 . . . . 10.0 112.564 178.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -140.98 156.47 46.04 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.436 -0.347 . . . . 10.0 110.102 178.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -105.68 138.29 42.11 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.676 0.275 . . . . 10.0 111.482 -179.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 6.7 m -119.85 141.93 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.784 179.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -100.53 -8.51 23.01 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.444 0.64 . . . . 10.0 109.874 179.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -80.44 129.05 34.26 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.116 -0.947 . . . . 10.0 109.931 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -82.22 114.45 20.73 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.96 0.409 . . . . 10.0 110.922 -179.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -117.75 101.16 52.34 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.494 179.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -57.93 106.8 0.27 Allowed 'Trans proline' 0 C--O 1.234 0.282 0 C-N-CA 122.797 2.331 . . . . 10.0 111.358 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.2 114.73 26.08 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 115.764 -0.653 . . . . 10.0 109.885 -179.645 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 38.4 mm -79.68 -49.31 19.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.108 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . 0.669 ' HG2' HD11 ' B' ' 56' ' ' LEU . 5.7 tt0 -170.86 87.44 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.514 -0.766 . . . . 10.0 109.188 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -123.5 139.28 54.17 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.566 -0.288 . . . . 10.0 110.791 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . 0.402 ' HA ' ' O ' ' B' ' 55' ' ' ILE . 19.5 p -124.4 157.45 35.08 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 111.937 0.347 . . . . 10.0 111.937 -179.326 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -135.86 152.38 50.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.443 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -118.8 123.7 45.42 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.158 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 52.6 tttp -138.27 144.82 40.69 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.487 -0.324 . . . . 10.0 110.147 179.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . 0.487 ' HG2' HG22 ' B' ' 50' ' ' THR . 4.7 tt0 -109.44 123.41 49.32 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.409 -0.359 . . . . 10.0 110.159 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . 0.444 HG23 HG13 ' B' ' 46' ' ' ILE . 3.3 m -131.28 162.28 39.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.41 -0.359 . . . . 10.0 110.975 -179.474 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 2.5 m -104.65 56.22 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 121.289 0.566 . . . . 10.0 111.212 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . 0.665 HD13 ' HA ' ' B' ' 157' ' ' TYR . 20.3 mt -62.72 123.59 15.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.928 -0.578 . . . . 10.0 111.412 -179.711 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . 0.62 ' HA ' ' HB3' ' C' ' 128' ' ' LYS . 63.8 m-20 64.14 16.58 10.11 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.41 -0.814 . . . . 10.0 112.349 179.703 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.76 6.22 62.35 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.781 -0.723 . . . . 10.0 112.905 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -120.9 125.36 47.26 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.686 0.279 . . . . 10.0 110.843 179.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . 0.487 HG22 ' HG2' ' B' ' 43' ' ' GLN . 0.2 OUTLIER -72.81 120.47 18.48 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.036 0.446 . . . . 10.0 110.204 179.366 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -136.55 153.19 51.06 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.495 -179.535 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 42.4 tp -98.03 129.43 44.89 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.922 -0.581 . . . . 10.0 109.691 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 19.9 mt -102.09 128.33 48.61 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.884 0.374 . . . . 10.0 111.537 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . 0.405 ' HB3' ' HA ' ' B' ' 5' ' ' LYS . 30.3 t70 -106.61 83.83 1.92 Allowed 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.005 -1.109 . . . . 10.0 108.005 177.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' ILE . . . . . 0.477 ' HA ' ' O ' ' B' ' 6' ' ' LEU . 61.3 mt -87.56 128.21 40.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.251 -178.481 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.669 HD11 ' HG2' ' B' ' 37' ' ' GLU . 27.3 tp -122.08 118.6 29.12 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.263 -0.426 . . . . 10.0 111.228 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -98.09 109.5 22.25 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-O 121.118 0.485 . . . . 10.0 110.016 178.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.14 176.68 5.99 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.917 -0.583 . . . . 10.0 111.014 -179.693 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -80.6 151.24 29.17 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.189 0.519 . . . . 10.0 111.924 -178.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -117.88 23.4 9.42 Favored Glycine 0 N--CA 1.45 -0.426 0 N-CA-C 110.32 -1.112 . . . . 10.0 110.32 179.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -89.56 3.49 52.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.418 -0.391 . . . . 10.0 111.132 -179.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.426 ' HB3' ' H ' ' B' ' 63' ' ' GLU . 27.5 mm-40 61.83 -159.77 0.31 Allowed 'General case' 0 C--O 1.234 0.284 0 O-C-N 123.328 0.393 . . . . 10.0 110.075 -178.335 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . 0.426 ' H ' ' HB3' ' B' ' 62' ' ' GLU . 0.6 OUTLIER 58.44 39.84 24.74 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.09 0.471 . . . . 10.0 110.266 179.709 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -145.17 41.56 1.27 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.866 -179.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.79 -47.06 77.77 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.49 0.552 . . . . 10.0 112.49 -179.358 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -74.75 -25.02 58.81 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.876 0.324 . . . . 10.0 111.876 -179.072 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . 0.498 ' HG2' ' HE1' ' B' ' 71' ' ' TYR . 20.9 ttt -80.24 -41.18 25.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.981 0.42 . . . . 10.0 110.605 -179.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' ARG . . . . . 0.694 ' HA ' ' CZ ' ' B' ' 71' ' ' TYR . 11.0 ttp180 -62.31 -34.04 75.83 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.85 -0.614 . . . . 10.0 111.574 -179.511 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.29 2.39 4.84 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.021 -0.536 . . . . 10.0 112.288 -179.472 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -100.3 -67.25 0.86 Allowed 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 111.968 0.359 . . . . 10.0 111.968 -179.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' TYR . . . . . 0.694 ' CZ ' ' HA ' ' B' ' 68' ' ' ARG . 9.0 p90 -62.56 -18.8 62.83 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 112.919 0.711 . . . . 10.0 112.919 -178.758 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 19.7 mtt -66.13 -26.35 67.41 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-O 121.142 0.496 . . . . 10.0 110.394 179.069 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 -72.25 -43.12 64.8 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.19 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . 0.423 HG22 ' HD3' ' B' ' 5' ' ' LYS . 0.2 OUTLIER -74.37 -40.26 62.21 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.891 -0.595 . . . . 10.0 111.973 -179.379 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -57.13 118.54 12.52 Favored Glycine 0 C--N 1.33 0.215 0 C-N-CA 121.177 -0.535 . . . . 10.0 113.826 -179.106 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -88.84 -38.06 14.89 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.24 0.543 . . . . 10.0 109.699 179.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 77' ' ' GLY . . . . . 0.407 ' HA3' HD11 ' B' ' 163' ' ' ILE . . . -121.33 130.53 8.2 Favored Glycine 0 N--CA 1.448 -0.564 0 N-CA-C 110.864 -0.894 . . . . 10.0 110.864 179.075 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . 0.466 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 73.3 m-85 -109.9 121.7 45.85 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.079 0.466 . . . . 10.0 111.522 -179.204 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.538 ' HB2' HD22 ' B' ' 159' ' ' LEU . 21.6 tp -103.5 101.32 11.2 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.819 -0.628 . . . . 10.0 109.634 179.308 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . 0.626 ' HB3' HD12 ' B' ' 93' ' ' ILE . 2.9 m -83.95 108.1 16.72 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.855 -179.548 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 40.8 t -103.79 124.06 57.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.611 -0.722 . . . . 10.0 110.43 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 34.6 p90 -124.23 163.44 21.59 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.108 179.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.673 ' HB3' ' HB3' ' B' ' 86' ' ' ASN . . . -101.93 124.5 47.65 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.859 -0.423 . . . . 10.0 109.859 179.643 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 29.3 pt -65.84 -15.5 18.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.829 0.347 . . . . 10.0 111.383 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . 0.415 ' OD1' ' HB1' ' B' ' 83' ' ' ALA . 19.3 p-10 -102.13 8.41 40.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.762 -0.654 . . . . 10.0 110.563 179.264 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.673 ' HB3' ' HB3' ' B' ' 83' ' ' ALA . 24.8 t-20 -134.96 103.75 5.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.024 0.44 . . . . 10.0 110.75 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.44 -39.93 85.18 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.596 0.591 . . . . 10.0 112.596 -179.304 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -53.87 -51.49 63.5 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.461 0.541 . . . . 10.0 112.461 -178.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 77.7 p -57.06 -40.56 77.07 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.962 0.727 . . . . 10.0 112.962 -179.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -66.57 -46.35 76.31 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.084 0.402 . . . . 10.0 112.084 -179.18 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -71.17 -31.71 68.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.857 0.36 . . . . 10.0 111.111 -179.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 92' ' ' ASP . . . . . 0.476 ' HA ' ' HD2' ' B' ' 95' ' ' HIS . 0.2 OUTLIER -62.6 -26.31 68.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.816 -0.629 . . . . 10.0 111.776 -179.336 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 93' ' ' ILE . . . . . 0.626 HD12 ' HB3' ' B' ' 80' ' ' CYS . 51.5 mm -55.68 -35.83 40.41 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.889 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -63.36 -41.92 98.86 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.22 -0.445 . . . . 10.0 110.344 179.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 95' ' ' HIS . . . . . 0.476 ' HD2' ' HA ' ' B' ' 92' ' ' ASP . 82.3 m-70 -63.67 -42.73 98.03 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.008 -0.542 . . . . 10.0 110.439 179.625 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 96' ' ' TYR . . . . . 0.426 ' O ' HG13 ' B' ' 100' ' ' ILE . 57.2 m-85 -63.46 -41.85 98.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.605 -0.725 . . . . 10.0 110.298 179.472 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -57.64 -47.69 81.54 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.815 -0.63 . . . . 10.0 111.849 -179.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -63.02 -36.25 82.95 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.576 -0.284 . . . . 10.0 111.455 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 99' ' ' GLN . . . . . 0.443 ' O ' HG23 ' B' ' 103' ' ' VAL . 62.6 tt0 -68.24 -41.38 81.27 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 121.014 -0.274 . . . . 10.0 110.297 179.19 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . 0.481 HG21 HG11 ' B' ' 109' ' ' VAL . 97.9 mt -56.94 -45.75 83.68 Favored 'Isoleucine or valine' 0 C--O 1.239 0.515 0 CA-C-O 121.021 0.439 . . . . 10.0 110.222 179.259 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 15.6 mtmt -68.32 -16.17 63.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.537 -0.756 . . . . 10.0 111.829 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? -92.63 -37.39 12.45 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.893 0.378 . . . . 10.0 110.835 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 103' ' ' VAL . . . . . 0.443 HG23 ' O ' ' B' ' 99' ' ' GLN . 49.8 t -71.06 -48.0 58.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.779 0.323 . . . . 10.0 110.848 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . 0.408 ' C ' ' H ' ' B' ' 106' ' ' SER . 21.9 mtpp -88.43 -17.25 30.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.398 -0.365 . . . . 10.0 110.865 -179.709 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 20.9 t70 71.57 -13.75 0.54 Allowed 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 115.662 -0.699 . . . . 10.0 112.513 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . 0.408 ' H ' ' C ' ' B' ' 104' ' ' LYS . 23.2 t -71.07 145.75 49.7 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.971 -0.559 . . . . 10.0 112.253 -178.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -84.18 -40.99 17.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.393 0.616 . . . . 10.0 109.63 178.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -97.01 122.96 40.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.738 -0.664 . . . . 10.0 109.719 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . 0.481 HG11 HG21 ' B' ' 100' ' ' ILE . 78.6 t -135.55 130.86 19.1 Favored Pre-proline 0 C--N 1.324 -0.536 0 N-CA-C 110.056 -0.349 . . . . 10.0 110.056 -179.453 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 110' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 22.3 Cg_exo -66.69 105.68 0.97 Allowed 'Trans proline' 0 C--O 1.235 0.339 0 C-N-CA 122.719 2.279 . . . . 10.0 111.706 179.291 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 111' ' ' MET . . . . . 0.466 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 50.3 mtm -137.35 147.62 45.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.163 -179.706 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 84.3 t -129.88 133.44 64.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 109.141 -0.688 . . . . 10.0 109.141 178.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 19.4 tp -95.92 111.65 23.58 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.723 -0.473 . . . . 10.0 109.723 -179.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 114' ' ' VAL . . . . . 0.637 HG12 ' HB ' ' B' ' 142' ' ' ILE . 4.0 m -115.9 123.28 71.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.133 0.492 . . . . 10.0 112.144 -179.602 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -95.7 112.17 4.36 Favored Glycine 0 N--CA 1.443 -0.845 0 N-CA-C 109.56 -1.416 . . . . 10.0 109.56 178.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -93.06 160.03 15.04 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 112.003 0.372 . . . . 10.0 112.003 -178.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 82.1 mttt 68.39 35.14 3.48 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.733 0.642 . . . . 10.0 112.733 179.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 34.7 m -67.22 2.99 1.33 Allowed 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 112.847 0.684 . . . . 10.0 112.847 179.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -97.1 -7.89 31.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.931 0.396 . . . . 10.0 109.974 178.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 15.2 mt -74.88 132.03 78.15 Favored Pre-proline 0 C--O 1.236 0.378 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.857 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -73.82 143.96 34.13 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.888 2.392 . . . . 10.0 111.298 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 1.5 m 58.61 80.98 0.17 Allowed 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.094 0.473 . . . . 10.0 111.738 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 17.8 ptp180 -86.27 150.75 24.14 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.295 -0.411 . . . . 10.0 111.35 -179.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 10.8 m -80.55 -53.86 6.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.913 0.387 . . . . 10.0 110.384 179.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 72.3 t -87.06 104.14 13.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.13 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -69.03 154.16 42.54 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.798 -0.637 . . . . 10.0 109.923 179.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.99 -35.12 70.77 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.488 -0.324 . . . . 10.0 110.717 179.714 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 128' ' ' LYS . . . . . 0.664 ' HB2' ' HA ' ' C' ' 47' ' ' ASP . 10.5 ptmm? -52.28 -39.22 60.18 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 115.469 -0.787 . . . . 10.0 112.899 -179.706 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -92.08 -33.54 14.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.777 0.322 . . . . 10.0 111.683 -179.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.4 -39.83 94.62 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.928 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -77.17 -34.16 56.4 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.158 -0.474 . . . . 10.0 111.418 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -63.15 -41.62 99.31 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.014 0.435 . . . . 10.0 111.415 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 34.1 tp -64.31 -48.62 74.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.028 0.442 . . . . 10.0 109.873 179.152 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.1 -35.09 77.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.664 -0.698 . . . . 10.0 110.208 179.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 135' ' ' ARG . . . . . 0.488 ' HG2' ' HE3' ' C' ' 165' ' ' LYS . 6.2 tmm_? -64.1 -40.44 96.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.831 -0.622 . . . . 10.0 109.903 179.291 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 32.2 m -72.7 -32.74 65.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.276 -0.42 . . . . 10.0 110.839 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 4.6 m-30 -79.36 -21.29 45.97 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.238 -0.437 . . . . 10.0 111.216 179.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 76.91 32.39 49.77 Favored Glycine 0 N--CA 1.45 -0.396 0 N-CA-C 111.422 -0.671 . . . . 10.0 111.422 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 46.9 pt -118.09 158.62 45.73 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 115.746 -0.227 . . . . 10.0 110.688 -179.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -78.4 131.99 10.94 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 122.866 2.377 . . . . 10.0 111.991 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -105.31 130.98 53.32 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.115 -0.493 . . . . 10.0 109.685 178.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 142' ' ' ILE . . . . . 0.637 ' HB ' HG12 ' B' ' 114' ' ' VAL . 58.2 mt -128.71 129.39 68.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 111.968 0.358 . . . . 10.0 111.968 -179.046 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -89.61 125.93 35.43 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 107.207 -1.405 . . . . 10.0 107.207 177.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -142.45 -177.61 5.36 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 113.57 0.952 . . . . 10.0 113.57 -177.392 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 20.8 t -168.84 121.29 0.79 Allowed 'General case' 0 C--O 1.24 0.557 0 CA-C-N 114.92 -1.036 . . . . 10.0 109.142 179.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 146' ' ' ALA . . . . . 0.743 ' HB2' HD23 ' B' ' 19' ' ' LEU . . . -70.84 -23.0 62.25 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.094 0.473 . . . . 10.0 110.067 -179.524 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 28.3 tttt -73.44 -46.73 46.72 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.636 -0.711 . . . . 10.0 110.974 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -78.26 -15.14 59.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.596 -0.274 . . . . 10.0 111.472 -179.704 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.54 38.95 18.62 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 121.226 0.536 . . . . 10.0 110.22 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -112.22 126.65 55.46 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.392 -0.822 . . . . 10.0 111.1 -179.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 70.27 16.2 73.09 Favored Glycine 0 N--CA 1.452 -0.298 0 CA-C-N 116.084 -0.507 . . . . 10.0 113.033 179.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 86.5 t -59.08 -60.94 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.93 0.395 . . . . 10.0 110.909 -179.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -69.55 -30.8 68.68 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.85 -0.614 . . . . 10.0 110.573 -179.306 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.97 -37.23 73.8 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.059 -0.519 . . . . 10.0 111.773 -179.238 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -63.15 -50.53 70.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.361 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -67.34 -39.97 85.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.927 -0.579 . . . . 10.0 110.719 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 157' ' ' TYR . . . . . 0.665 ' HA ' HD13 ' B' ' 46' ' ' ILE . 2.9 m-85 -58.07 -47.59 82.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.723 179.205 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 65.5 m -64.15 -40.44 96.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.833 -0.622 . . . . 10.0 111.231 179.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 159' ' ' LEU . . . . . 0.538 HD22 ' HB2' ' B' ' 79' ' ' LEU . 61.9 tp -58.87 -50.04 75.5 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.337 -0.392 . . . . 10.0 111.001 179.693 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.8 -42.13 91.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.212 0.529 . . . . 10.0 110.371 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 161' ' ' ARG . . . . . 0.676 ' HG2' ' HG3' ' C' ' 135' ' ' ARG . 9.8 ttp180 -62.46 -32.73 73.65 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.795 -0.639 . . . . 10.0 110.996 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -68.81 -34.81 76.14 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.938 0.399 . . . . 10.0 110.088 178.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 163' ' ' ILE . . . . . 0.407 HD11 ' HA3' ' B' ' 77' ' ' GLY . 55.5 mt -67.5 -38.92 81.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 108.525 -0.917 . . . . 10.0 108.525 178.398 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 72.8 mtt180 -60.81 -40.65 93.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.456 -0.793 . . . . 10.0 108.979 178.106 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 165' ' ' LYS . . . . . 0.481 ' HE3' ' HG2' ' C' ' 135' ' ' ARG . 31.2 ttmt . . . . . 0 N--CA 1.453 -0.324 0 CA-C-N 115.283 -0.871 . . . . 10.0 110.049 178.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 CA--C 1.532 0.267 0 CA-C-O 121.056 0.455 . . . . 10.0 110.511 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' C' C ' 2' ' ' THR . . . . . 0.469 ' HB ' ' CE2' ' C' ' 4' ' ' TYR . 0.0 OUTLIER -92.59 136.69 33.01 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.944 -0.571 . . . . 10.0 109.522 179.88 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -106.14 130.42 54.03 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.873 0.368 . . . . 10.0 111.385 -179.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 4' ' ' TYR . . . . . 0.544 ' HE2' ' HB3' ' C' ' 51' ' ' CYS . 53.4 m-85 -120.01 117.81 29.0 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.147 -0.479 . . . . 10.0 109.841 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 5' ' ' LYS . . . . . 0.513 ' HA ' ' HB3' ' C' ' 54' ' ' ASP . 66.5 mttm -90.63 117.39 29.25 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.864 0.364 . . . . 10.0 110.304 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -127.19 137.07 52.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.084 0.469 . . . . 10.0 111.037 -178.511 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 24.9 t -118.46 132.28 68.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.382 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.489 HG13 HD23 ' C' ' 79' ' ' LEU . 10.6 t -91.6 129.59 42.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 109.949 -0.389 . . . . 10.0 109.949 179.405 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 8.8 m -119.45 165.75 14.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.054 0.454 . . . . 10.0 111.381 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 131.68 163.61 10.86 Favored Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 111.202 -0.759 . . . . 10.0 111.202 -179.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.44 176.93 4.94 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.099 0.476 . . . . 10.0 111.088 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -79.17 144.9 34.02 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.151 0.5 . . . . 10.0 110.769 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 87.29 -2.01 86.45 Favored Glycine 0 N--CA 1.448 -0.502 0 CA-C-N 115.821 -0.627 . . . . 10.0 113.744 179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 14' ' ' VAL . . . . . 0.412 ' CG2' ' HG3' ' C' ' 16' ' ' LYS . 20.2 m -75.1 -28.97 21.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 117.681 0.741 . . . . 10.0 112.216 -179.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . 0.51 ' O ' ' HG ' ' C' ' 19' ' ' LEU . . . 117.93 14.72 6.53 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.549 -0.834 . . . . 10.0 113.714 178.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . 0.412 ' HG3' ' CG2' ' C' ' 14' ' ' VAL . 47.2 mtpt -53.81 -58.9 5.55 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.157 0.428 . . . . 10.0 112.157 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 16.4 m -66.39 -33.21 75.2 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.776 0.658 . . . . 10.0 112.776 -178.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.33 -40.04 85.07 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.644 -0.502 . . . . 10.0 109.644 179.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 19' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' C' ' 15' ' ' GLY . 90.5 mt -68.78 -40.06 79.85 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 115.698 -0.683 . . . . 10.0 110.681 179.605 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.0 -43.69 86.98 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.449 -0.341 . . . . 10.0 110.597 179.739 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 86.0 mt -64.68 -38.67 83.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.401 -0.363 . . . . 10.0 111.314 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 22' ' ' GLN . . . . . 0.494 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 3.8 mm-40 -66.76 -25.84 66.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.183 0.516 . . . . 10.0 110.895 179.32 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 16.2 tp -87.49 -43.68 11.87 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.004 -0.544 . . . . 10.0 111.185 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 44.4 mm -80.19 -68.11 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 112.483 0.549 . . . . 10.0 112.483 -178.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -78.87 -24.95 43.93 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.115 0.413 . . . . 10.0 112.115 -178.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 26' ' ' ASN . . . . . 0.494 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 66.8 t30 72.96 51.36 0.14 Allowed 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 113.053 0.761 . . . . 10.0 113.053 178.418 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 9.6 p80 -157.36 164.71 37.28 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.01 178.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -101.56 141.97 33.63 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 120.941 0.401 . . . . 10.0 111.089 -179.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 3.7 m -108.25 131.73 57.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.46 179.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -98.24 -8.31 27.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.684 0.754 . . . . 10.0 109.873 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -95.69 143.31 27.07 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.391 -0.822 . . . . 10.0 110.775 -179.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -78.57 122.37 25.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.334 -0.394 . . . . 10.0 110.477 179.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -111.87 103.86 55.56 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 120.739 0.304 . . . . 10.0 111.586 -179.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -80.43 67.55 8.59 Favored 'Trans proline' 0 CA--C 1.532 0.379 0 C-N-CA 123.176 2.584 . . . . 10.0 111.769 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.2 130.3 41.1 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.196 -0.456 . . . . 10.0 111.282 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . 0.9 ' HA ' ' HB2' ' C' ' 59' ' ' ALA . 48.1 mm -87.02 -40.02 13.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 109.372 -0.603 . . . . 10.0 109.372 179.313 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 37' ' ' GLU . . . . . 0.46 ' HG2' HD11 ' C' ' 56' ' ' LEU . 4.3 tt0 -172.45 104.76 0.16 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.387 -0.824 . . . . 10.0 109.826 179.686 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -130.23 136.8 49.6 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.899 -0.408 . . . . 10.0 109.899 179.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 39' ' ' SER . . . . . 0.438 ' HB2' ' NH1' ' C' ' 41' ' ' ARG . 2.9 p -114.58 134.74 54.81 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 112.136 0.421 . . . . 10.0 112.136 -178.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -125.52 143.63 50.92 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.681 -0.69 . . . . 10.0 110.122 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . 0.438 ' NH1' ' HB2' ' C' ' 39' ' ' SER . 0.8 OUTLIER -127.54 134.87 49.74 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.356 -0.384 . . . . 10.0 110.469 179.852 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 54.9 tttt -149.04 140.16 23.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.425 179.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -93.81 120.53 34.2 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.548 -0.538 . . . . 10.0 109.548 179.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 18.6 m -130.9 162.39 39.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.283 0.563 . . . . 10.0 111.389 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 21.1 t -105.81 108.66 25.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.738 -0.664 . . . . 10.0 109.412 179.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 63.6 mt -114.63 116.93 54.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.163 -0.471 . . . . 10.0 110.746 -179.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 47' ' ' ASP . . . . . 0.664 ' HA ' ' HB2' ' B' ' 128' ' ' LYS . 33.8 m-20 71.57 -11.08 0.76 Allowed 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 115.647 -0.706 . . . . 10.0 112.011 179.451 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 129.38 -16.43 5.69 Favored Glycine 0 N--CA 1.449 -0.445 0 N-CA-C 111.348 -0.701 . . . . 10.0 111.348 -179.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 49' ' ' GLU . . . . . 0.495 ' HB3' ' NH2' ' C' ' 164' ' ' ARG . 16.7 tt0 -94.55 122.63 37.33 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-O 120.747 0.308 . . . . 10.0 110.466 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -73.04 117.51 14.85 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.094 -0.706 . . . . 10.0 109.094 179.079 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 51' ' ' CYS . . . . . 0.544 ' HB3' ' HE2' ' C' ' 4' ' ' TYR . 0.1 OUTLIER -129.35 153.8 47.52 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 112.623 0.601 . . . . 10.0 112.623 -178.171 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 60.3 tp -101.82 124.08 46.85 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.095 -0.957 . . . . 10.0 108.908 178.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . 0.422 ' O ' ' HA ' ' C' ' 41' ' ' ARG . 37.1 mt -96.89 122.22 39.63 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 112.51 0.559 . . . . 10.0 112.51 -179.219 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . 0.513 ' HB3' ' HA ' ' C' ' 5' ' ' LYS . 22.0 t70 -103.09 93.01 4.78 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.613 -1.254 . . . . 10.0 107.613 177.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 1.1 mp -100.18 131.57 47.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.506 -0.316 . . . . 10.0 111.834 -178.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . 0.46 HD11 ' HG2' ' C' ' 37' ' ' GLU . 32.0 tp -118.54 121.24 39.77 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.124 -0.489 . . . . 10.0 111.179 179.539 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -97.32 104.81 16.87 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.037 -0.727 . . . . 10.0 109.037 178.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 28.6 p -95.75 156.6 16.26 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.619 -0.264 . . . . 10.0 110.612 -179.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 59' ' ' ALA . . . . . 0.9 ' HB2' ' HA ' ' C' ' 36' ' ' ILE . . . -64.48 138.13 58.25 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.089 0.471 . . . . 10.0 110.954 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -98.79 23.8 34.85 Favored Glycine 0 N--CA 1.448 -0.535 0 N-CA-C 111.272 -0.731 . . . . 10.0 111.272 179.149 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -83.62 -1.55 54.16 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 111.588 0.218 . . . . 10.0 111.588 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 62' ' ' GLU . . . . . 0.412 ' HB3' ' H ' ' C' ' 63' ' ' GLU . 32.5 mm-40 58.32 -160.7 0.26 Allowed 'General case' 0 C--O 1.233 0.226 0 N-CA-C 112.275 0.472 . . . . 10.0 112.275 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 63' ' ' GLU . . . . . 0.412 ' H ' ' HB3' ' C' ' 62' ' ' GLU . 24.6 tt0 77.58 -16.71 0.63 Allowed 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.365 0.666 . . . . 10.0 111.476 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 64' ' ' TYR . . . . . 0.705 ' HB3' ' HB3' ' C' ' 67' ' ' MET . 28.6 m-85 -77.64 73.26 4.21 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.035 -0.53 . . . . 10.0 111.207 -179.456 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 1.8 p -76.4 -16.49 59.7 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.056 -0.52 . . . . 10.0 111.843 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -116.35 -36.97 3.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.488 -0.324 . . . . 10.0 111.504 -179.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 67' ' ' MET . . . . . 0.705 ' HB3' ' HB3' ' C' ' 64' ' ' TYR . 20.6 ttt -64.5 -28.83 69.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.045 0.45 . . . . 10.0 110.601 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 68' ' ' ARG . . . . . 0.606 ' HA ' ' CZ ' ' C' ' 71' ' ' TYR . 1.3 tpp180 -62.11 -43.33 99.07 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.894 -0.594 . . . . 10.0 111.907 -179.014 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -57.49 -36.23 71.24 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.3 -0.409 . . . . 10.0 110.999 -179.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -55.54 -56.31 21.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.842 -0.617 . . . . 10.0 112.366 -179.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 71' ' ' TYR . . . . . 0.606 ' CZ ' ' HA ' ' C' ' 68' ' ' ARG . 19.4 p90 -79.51 -24.33 42.32 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 113.697 0.999 . . . . 10.0 113.697 -178.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 72' ' ' MET . . . . . 0.482 ' SD ' ' HG2' ' C' ' 99' ' ' GLN . 27.3 mtt -69.13 -36.15 77.16 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.113 0.482 . . . . 10.0 110.423 179.226 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 29.5 ttm105 -73.2 -35.0 66.27 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.352 0.596 . . . . 10.0 110.411 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 6.3 m -76.27 -48.04 21.63 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.305 -0.862 . . . . 10.0 112.874 -178.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.74 148.87 51.48 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 121.376 -0.44 . . . . 10.0 113.856 -178.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -102.01 -41.17 6.54 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.227 0.537 . . . . 10.0 109.605 179.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -116.89 145.62 18.72 Favored Glycine 0 N--CA 1.447 -0.587 0 N-CA-C 110.712 -0.955 . . . . 10.0 110.712 178.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 78' ' ' PHE . . . . . 0.463 ' HB2' ' HG2' ' C' ' 111' ' ' MET . 88.8 m-85 -121.14 126.34 49.49 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 117.194 0.497 . . . . 10.0 112.158 -179.015 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 79' ' ' LEU . . . . . 0.489 HD23 HG13 ' C' ' 8' ' ' VAL . 13.6 tp -93.06 99.53 12.12 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.293 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 36.7 m -87.63 101.06 13.28 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.122 0.487 . . . . 10.0 110.551 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 40.4 t -109.99 136.32 46.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.855 -0.612 . . . . 10.0 110.036 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 35.8 p90 -132.06 149.97 52.27 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.929 0.395 . . . . 10.0 110.67 179.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -81.38 128.42 33.83 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.957 -0.565 . . . . 10.0 109.622 179.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 84' ' ' ILE . . . . . . . . . . . . . 1.5 pp -73.0 -10.79 14.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.954 0.407 . . . . 10.0 111.36 -179.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 21.0 p-10 -100.16 -1.6 36.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.295 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -133.68 112.59 11.54 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.203 0.525 . . . . 10.0 111.524 -179.269 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.6 -28.98 68.93 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.674 -0.694 . . . . 10.0 112.302 -179.311 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 26.0 tptp -57.81 -43.59 85.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.408 -0.36 . . . . 10.0 110.67 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -32.64 73.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.246 -0.434 . . . . 10.0 111.526 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -71.16 -33.29 69.89 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.843 0.354 . . . . 10.0 110.755 -179.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -79.24 -26.54 42.44 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.068 0.461 . . . . 10.0 110.515 179.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -67.27 -21.4 65.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.979 -0.555 . . . . 10.0 111.267 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 46.9 mm -57.75 -41.73 80.22 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-N 116.342 -0.39 . . . . 10.0 110.258 179.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -66.09 -44.01 85.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.224 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 55.1 m-70 -59.89 -42.04 92.92 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.101 0.477 . . . . 10.0 110.075 179.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -65.57 -49.74 67.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.677 -0.692 . . . . 10.0 110.344 179.06 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 18.6 ttt180 -54.24 -47.06 72.65 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.415 -0.812 . . . . 10.0 111.854 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -62.4 -35.29 78.75 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 116.305 -0.407 . . . . 10.0 111.899 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 99' ' ' GLN . . . . . 0.482 ' HG2' ' SD ' ' C' ' 72' ' ' MET . 54.3 tt0 -75.82 -38.72 57.83 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.82 -0.352 . . . . 10.0 110.333 179.204 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 52.3 mt -56.52 -46.17 82.32 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 CA-C-N 116.01 -0.541 . . . . 10.0 109.943 179.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 101' ' ' LYS . . . . . 0.442 ' HB2' ' HE3' ' C' ' 101' ' ' LYS . 27.5 mtmt -72.47 -25.19 61.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.722 -0.672 . . . . 10.0 111.198 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -75.17 -49.51 19.24 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.295 -179.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 103' ' ' VAL . . . . . 0.426 HG23 ' O ' ' C' ' 99' ' ' GLN . 42.2 t -66.1 -39.61 84.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.21 -0.45 . . . . 10.0 111.837 -179.203 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 5.8 tttp -87.08 -16.48 35.42 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.268 0.47 . . . . 10.0 112.268 -179.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 28.8 t70 60.56 56.67 3.0 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.442 0.639 . . . . 10.0 111.358 -179.284 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 1.9 t -166.93 143.93 4.68 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.763 -0.653 . . . . 10.0 110.222 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 -83.8 -37.19 22.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.94 0.4 . . . . 10.0 110.634 -179.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -86.75 105.84 17.25 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.972 -0.558 . . . . 10.0 111.355 -179.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 45.1 t -135.29 135.89 23.43 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.538 -0.756 . . . . 10.0 109.131 179.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_exo -64.38 106.74 0.74 Allowed 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.849 2.366 . . . . 10.0 111.427 179.219 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 111' ' ' MET . . . . . 0.463 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 57.4 mtm -142.02 144.86 33.84 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.635 -179.439 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 60.9 t -134.23 128.4 52.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 109.146 -0.687 . . . . 10.0 109.146 179.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 24.5 tp -82.74 121.6 27.1 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.152 -0.684 . . . . 10.0 109.152 179.413 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 21.7 t -115.9 129.91 71.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.003 0.43 . . . . 10.0 111.826 -178.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -109.91 123.8 6.9 Favored Glycine 0 N--CA 1.446 -0.66 0 N-CA-C 109.799 -1.32 . . . . 10.0 109.799 178.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -112.86 157.91 20.81 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.983 0.391 . . . . 10.0 111.311 -179.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt 71.86 29.59 2.43 Favored 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 123.295 0.638 . . . . 10.0 112.64 179.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 118' ' ' CYS . . . . . . . . . . . . . 68.2 m -72.73 -3.41 25.03 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.889 0.376 . . . . 10.0 111.762 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -85.87 -19.07 31.13 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.321 179.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 83.7 mt -85.35 143.5 39.18 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.653 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -78.02 172.66 15.18 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.748 2.299 . . . . 10.0 111.346 179.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 16.0 m 64.6 61.71 0.82 Allowed 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.2 0.524 . . . . 10.0 111.844 179.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -83.76 154.6 23.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.835 179.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 1.4 m -99.79 -48.39 4.72 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.145 -0.48 . . . . 10.0 111.787 -179.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 77.7 t -91.59 127.24 44.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.938 0.399 . . . . 10.0 110.713 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 126' ' ' ASP . . . . . 0.47 ' HB3' ' HG2' ' C' ' 129' ' ' GLN . 9.2 t70 -70.75 142.19 51.44 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.361 -0.607 . . . . 10.0 109.361 179.435 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 7.5 m -56.78 -33.38 66.58 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.794 0.33 . . . . 10.0 110.575 179.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 128' ' ' LYS . . . . . 0.62 ' HB3' ' HA ' ' B' ' 47' ' ' ASP . 30.8 mttp -63.35 -55.78 21.74 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 115.959 -0.564 . . . . 10.0 111.153 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 129' ' ' GLN . . . . . 0.47 ' HG2' ' HB3' ' C' ' 126' ' ' ASP . 3.0 pt20 -62.88 -31.99 73.15 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.81 0.338 . . . . 10.0 111.583 -179.607 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.03 -47.16 72.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.078 179.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 131' ' ' GLN . . . . . 0.726 ' HG3' ' HD2' ' C' ' 141' ' ' PHE . 17.4 mt-30 -71.9 -28.74 63.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.384 179.335 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 132' ' ' ASP . . . . . 0.533 ' HA ' ' HD2' ' B' ' 161' ' ' ARG . 5.4 t70 -68.29 -42.03 80.11 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.319 178.731 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 10.3 tp -59.6 -44.53 93.35 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 109.291 -0.633 . . . . 10.0 109.291 179.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.84 -37.39 87.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.626 -0.715 . . . . 10.0 110.068 179.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 135' ' ' ARG . . . . . 0.676 ' HG3' ' HG2' ' B' ' 161' ' ' ARG . 5.7 tmm_? -60.91 -39.68 90.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.662 -0.699 . . . . 10.0 110.316 179.197 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 17.1 m -69.84 -26.24 64.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.701 -0.681 . . . . 10.0 111.39 -179.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 137' ' ' TYR . . . . . 0.603 ' HB2' HG12 ' C' ' 139' ' ' ILE . 23.4 m-30 -90.8 -14.38 32.03 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.971 0.415 . . . . 10.0 110.692 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 76.41 31.05 55.74 Favored Glycine 0 N--CA 1.451 -0.35 0 N-CA-C 110.736 -0.946 . . . . 10.0 110.736 -178.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 139' ' ' ILE . . . . . 0.603 HG12 ' HB2' ' C' ' 137' ' ' TYR . 47.4 pt -126.24 162.56 45.41 Favored Pre-proline 0 C--N 1.327 -0.384 0 N-CA-C 109.902 -0.407 . . . . 10.0 109.902 -179.139 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 140' ' ' PRO . . . . . 0.408 ' HD2' ' HB ' ' C' ' 139' ' ' ILE . 94.1 Cg_endo -87.04 155.49 8.43 Favored 'Trans proline' 0 CA--C 1.533 0.453 0 C-N-CA 122.456 2.104 . . . . 10.0 112.801 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 141' ' ' PHE . . . . . 0.726 ' HD2' ' HG3' ' C' ' 131' ' ' GLN . 63.3 t80 -136.42 122.34 20.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.9 -0.591 . . . . 10.0 109.556 178.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 3.6 mp -124.98 130.0 73.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 120.885 0.374 . . . . 10.0 111.346 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -80.83 131.73 35.42 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 108.91 -0.774 . . . . 10.0 108.91 178.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 77.3 p -134.86 176.41 8.68 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.274 0.559 . . . . 10.0 112.055 -177.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 12.7 t -151.89 117.24 5.3 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.29 -0.868 . . . . 10.0 108.865 178.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 146' ' ' ALA . . . . . 0.41 ' HB2' HD23 ' C' ' 19' ' ' LEU . . . -72.61 -24.69 61.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.099 0.475 . . . . 10.0 110.433 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -65.82 -48.68 70.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.621 -0.718 . . . . 10.0 110.573 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 26.8 p -90.21 -15.84 30.63 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.922 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 23.1 ttt-85 62.71 44.48 6.54 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 115.364 -0.835 . . . . 10.0 111.023 -179.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -112.71 113.75 26.01 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.002 -0.545 . . . . 10.0 110.522 -179.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 94.14 -18.98 55.72 Favored Glycine 0 CA--C 1.518 0.226 0 C-N-CA 121.058 -0.591 . . . . 10.0 112.855 179.152 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 13.3 t -60.39 -40.22 83.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.72 0.295 . . . . 10.0 111.417 -179.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.12 -52.32 63.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.25 0.548 . . . . 10.0 110.699 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 154' ' ' ASP . . . . . 0.46 ' HA ' ' CD2' ' C' ' 157' ' ' TYR . 16.8 t70 -66.01 -30.01 70.47 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.622 -0.717 . . . . 10.0 112.07 -178.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -57.13 -42.05 80.19 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.988 0.423 . . . . 10.0 110.494 179.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -68.76 -39.82 80.05 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.818 -0.628 . . . . 10.0 109.917 179.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 157' ' ' TYR . . . . . 0.46 ' CD2' ' HA ' ' C' ' 154' ' ' ASP . 8.6 m-30 -64.71 -36.81 85.49 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.866 -0.606 . . . . 10.0 110.636 179.639 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 31.9 m -60.16 -42.56 95.17 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 116.187 -0.46 . . . . 10.0 111.074 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 159' ' ' LEU . . . . . 0.41 ' O ' HG13 ' C' ' 163' ' ' ILE . 17.6 tp -61.14 -39.91 91.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.175 0.512 . . . . 10.0 109.746 179.189 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 79.7 t -66.72 -40.0 85.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.643 -0.708 . . . . 10.0 109.541 178.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.01 -38.85 87.53 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.592 -0.731 . . . . 10.0 109.783 179.021 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -67.51 -39.92 85.14 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.732 -0.667 . . . . 10.0 110.685 179.079 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 163' ' ' ILE . . . . . 0.41 HG13 ' O ' ' C' ' 159' ' ' LEU . 97.9 mt -62.27 -43.6 98.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 N-CA-C 109.058 -0.719 . . . . 10.0 109.058 178.528 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 164' ' ' ARG . . . . . 0.495 ' NH2' ' HB3' ' C' ' 49' ' ' GLU . 97.6 mtt180 -62.66 -44.5 96.11 Favored 'General case' 0 C--O 1.232 0.175 0 N-CA-C 109.056 -0.72 . . . . 10.0 109.056 178.564 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 165' ' ' LYS . . . . . 0.488 ' HE3' ' HG2' ' B' ' 135' ' ' ARG . 29.2 ttmt -58.92 -49.53 77.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.116 -0.947 . . . . 10.0 110.502 179.321 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -57.63 -51.54 69.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.789 -0.642 . . . . 10.0 111.382 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 98.7 mttt . . . . . 0 C--N 1.327 -0.397 0 N-CA-C 112.583 0.586 . . . . 10.0 112.583 -179.373 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 6.1 tmtm? . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.747 0.308 . . . . 10.0 110.991 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 203' ' ' LEU . . . . . 0.407 ' O ' ' HB2' ' A' ' 207' ' ' TRP . 74.2 mt -63.93 -33.85 76.64 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.315 -0.402 . . . . 10.0 110.427 179.359 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 1.7 mt -67.9 -46.7 70.87 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.508 -0.769 . . . . 10.0 111.112 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -66.67 -45.35 79.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.992 0.425 . . . . 10.0 111.288 -179.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 206' ' ' ASN . . . . . 0.515 ' O ' HG23 ' A' ' 210' ' ' VAL . 2.3 m120 -66.35 -28.61 68.8 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.118 -0.492 . . . . 10.0 111.31 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 207' ' ' TRP . . . . . 0.407 ' HB2' ' O ' ' A' ' 203' ' ' LEU . 15.1 t90 -63.4 -34.66 78.22 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.06 0.457 . . . . 10.0 109.902 179.499 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -67.86 -38.91 83.72 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.287 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 2.0 m -64.6 -32.64 74.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.292 0.568 . . . . 10.0 110.136 179.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 210' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 206' ' ' ASN . 48.1 t -75.98 -45.35 37.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.892 -0.594 . . . . 10.0 110.013 179.241 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 9.9 m -60.63 -43.8 97.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.569 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 3.4 p -62.31 -37.99 87.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.955 0.407 . . . . 10.0 110.205 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 84.8 m -66.56 -40.8 89.17 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.908 -0.587 . . . . 10.0 109.522 178.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -61.71 -41.83 98.12 Favored 'General case' 0 C--O 1.224 -0.25 0 N-CA-C 109.648 -0.501 . . . . 10.0 109.648 178.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 24.3 m -62.32 -45.99 90.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.991 -0.55 . . . . 10.0 109.799 178.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -61.29 -40.21 93.29 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.302 -0.408 . . . . 10.0 109.983 178.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 217' ' ' LEU . . . . . 0.484 ' O ' ' HG ' ' A' ' 221' ' ' LEU . 80.7 mt -65.34 -42.09 93.25 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-N 115.72 -0.673 . . . . 10.0 110.028 179.256 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 218' ' ' ARG . . . . . 0.492 ' HA ' HD12 ' A' ' 221' ' ' LEU . 88.1 mtt180 -65.74 -35.44 80.75 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.321 -0.4 . . . . 10.0 110.948 179.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -67.24 -36.3 81.35 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.642 -0.503 . . . . 10.0 109.642 178.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -76.74 -31.92 57.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.824 -0.626 . . . . 10.0 110.171 179.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 221' ' ' LEU . . . . . 0.492 HD12 ' HA ' ' A' ' 218' ' ' ARG . 33.2 mt -53.84 -36.94 63.1 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.123 179.417 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -55.12 -70.39 0.98 Allowed Glycine 0 C--N 1.33 0.241 0 N-CA-C 111.121 -0.792 . . . . 10.0 111.121 178.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -51.3 -41.71 57.62 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.629 2.219 . . . . 10.0 111.778 178.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 224' ' ' VAL . . . . . 0.56 HG22 ' HD3' ' D' ' 550' ' ' LYS . 54.3 t -57.16 -53.32 44.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-N 116.523 -0.308 . . . . 10.0 111.123 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 11.0 p -65.14 -36.82 85.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.884 0.374 . . . . 10.0 110.996 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -62.41 -49.55 75.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 10.0 110.492 179.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -66.99 -47.49 71.36 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.331 179.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -57.24 -50.95 71.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 10.0 111.585 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -66.16 -34.83 78.93 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.952 0.158 . . . . 10.0 111.358 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -63.14 -46.62 86.36 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.52 -0.548 . . . . 10.0 109.52 178.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 231' ' ' ASN . . . . . 0.551 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 68.9 m-20 -72.6 -34.7 67.57 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.756 -0.656 . . . . 10.0 110.755 178.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 21.0 mt -62.9 -42.2 99.7 Favored 'General case' 0 CA--C 1.52 -0.208 0 N-CA-C 109.773 -0.454 . . . . 10.0 109.773 178.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -64.11 -33.65 76.26 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.307 178.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 234' ' ' LYS . . . . . 0.551 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 80.1 mttt -66.39 -45.52 79.74 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 108.611 -0.885 . . . . 10.0 108.611 177.7 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.41 -46.05 91.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.319 -0.855 . . . . 10.0 109.389 178.566 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 236' ' ' THR . . . . . 0.492 ' O ' ' HG3' ' A' ' 240' ' ' ARG . 2.9 m -67.49 -37.11 82.35 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.831 -0.622 . . . . 10.0 110.735 179.613 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 237' ' ' GLU . . . . . 0.462 ' HG2' HE21 ' A' ' 241' ' ' GLN . 35.7 tt0 -62.41 -44.33 96.68 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 108.766 -0.828 . . . . 10.0 108.766 178.788 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -61.58 -41.48 99.58 Favored Glycine 0 N--CA 1.445 -0.702 0 N-CA-C 110.233 -1.147 . . . . 10.0 110.233 178.117 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 84.1 mt -65.68 -32.18 73.6 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.757 0.313 . . . . 10.0 110.573 179.032 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 240' ' ' ARG . . . . . 0.492 ' HG3' ' O ' ' A' ' 236' ' ' THR . 56.5 mtt180 -70.24 -41.73 73.15 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.896 -0.779 . . . . 10.0 108.896 178.441 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 241' ' ' GLN . . . . . 0.462 HE21 ' HG2' ' A' ' 237' ' ' GLU . 78.2 mt-30 -66.81 -41.95 86.69 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.652 -0.87 . . . . 10.0 108.652 178.273 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -64.31 -32.64 74.32 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 115.468 -0.787 . . . . 10.0 110.265 178.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 243' ' ' MET . . . . . 0.747 ' HG3' HD12 ' A' ' 247' ' ' LEU . 54.2 ttm -54.26 -31.43 53.59 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 122.925 0.49 . . . . 10.0 111.36 -179.766 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 244' ' ' SER . . . . . 0.498 ' HA ' ' HG3' ' A' ' 248' ' ' GLU . 0.8 OUTLIER -65.14 -7.1 10.96 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.19 0.519 . . . . 10.0 110.637 179.512 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 245' ' ' LYS . . . . . 0.735 ' HA ' ' HG3' ' A' ' 249' ' ' GLU . 66.6 mttm -130.95 -52.32 1.05 Allowed 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.914 -0.584 . . . . 10.0 110.01 179.557 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 246' ' ' ASP . . . . . 0.748 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 4.3 t0 -60.86 -13.43 15.54 Favored 'General case' 0 C--O 1.225 -0.21 0 N-CA-C 113.002 0.741 . . . . 10.0 113.002 -179.226 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 247' ' ' LEU . . . . . 0.747 HD12 ' HG3' ' A' ' 243' ' ' MET . 18.8 mt -132.06 -46.88 0.93 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.771 0.32 . . . . 10.0 110.707 178.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 248' ' ' GLU . . . . . 0.498 ' HG3' ' HA ' ' A' ' 244' ' ' SER . 16.0 mt-10 -63.99 -39.97 95.32 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.244 0.461 . . . . 10.0 112.244 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 249' ' ' GLU . . . . . 0.735 ' HG3' ' HA ' ' A' ' 245' ' ' LYS . 52.3 mt-10 -72.39 -29.05 63.4 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.472 -0.566 . . . . 10.0 109.472 179.021 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 250' ' ' VAL . . . . . 0.593 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 71.9 t -64.17 -44.22 97.5 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.308 0 N-CA-C 108.775 -0.824 . . . . 10.0 108.775 178.1 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -69.98 -37.19 75.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.306 178.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -64.34 -49.39 71.89 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.196 -0.457 . . . . 10.0 110.707 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -81.75 -10.25 59.41 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.194 0.442 . . . . 10.0 112.194 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 254' ' ' VAL . . . . . 0.593 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.3 OUTLIER -63.72 -30.75 50.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 120.609 0.243 . . . . 10.0 110.629 179.711 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 255' ' ' GLN . . . . . 0.477 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 68.9 mt-30 -62.89 -63.35 4.26 Favored Pre-proline 0 N--CA 1.451 -0.397 0 CA-C-N 116.167 -0.47 . . . . 10.0 110.757 179.526 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 256' ' ' PRO . . . . . 0.477 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 19.6 Cg_endo -61.14 -36.24 82.05 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 121.807 1.671 . . . . 10.0 112.247 179.389 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 4.8 m-30 -62.83 -57.96 9.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.351 -0.386 . . . . 10.0 111.216 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 52.9 mt -67.83 -37.28 81.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.15 -0.477 . . . . 10.0 111.471 -179.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 259' ' ' ASP . . . . . 0.471 ' O ' ' HB2' ' A' ' 263' ' ' LYS . 34.8 t70 -63.26 -41.31 99.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.543 0.211 . . . . 10.0 110.859 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -69.42 -44.14 71.95 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.992 0.425 . . . . 10.0 110.073 179.282 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 261' ' ' PHE . . . . . 0.485 ' O ' ' HB2' ' A' ' 265' ' ' TRP . 1.5 m-30 -63.82 -43.4 96.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.757 -0.656 . . . . 10.0 110.233 178.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 262' ' ' GLN . . . . . 0.528 ' O ' ' HG3' ' A' ' 266' ' ' GLN . 46.2 tt0 -66.96 -39.48 87.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.147 179.464 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 263' ' ' LYS . . . . . 0.497 ' HB2' ' HE3' ' A' ' 263' ' ' LYS . 15.1 ttmt -59.21 -51.25 70.77 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.496 -0.557 . . . . 10.0 109.496 179.097 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 264' ' ' LYS . . . . . 0.4 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 69.0 mttt -66.08 -36.64 83.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.697 -0.683 . . . . 10.0 110.249 179.158 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 265' ' ' TRP . . . . . 0.485 ' HB2' ' O ' ' A' ' 261' ' ' PHE . 0.0 OUTLIER -62.02 -40.25 95.05 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 109.502 -0.555 . . . . 10.0 109.502 178.707 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 266' ' ' GLN . . . . . 0.528 ' HG3' ' O ' ' A' ' 262' ' ' GLN . 74.6 mt-30 -60.99 -47.35 86.85 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 115.734 -0.666 . . . . 10.0 109.216 178.551 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -62.65 -40.36 96.8 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 115.792 -0.64 . . . . 10.0 109.766 178.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 268' ' ' GLU . . . . . 0.525 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 10.9 mt-10 -59.01 -43.92 91.62 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.975 -0.557 . . . . 10.0 109.897 178.504 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 85.7 mmm -68.92 -38.64 79.67 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.503 -0.771 . . . . 10.0 110.318 179.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -62.4 -50.66 70.63 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.69 -0.485 . . . . 10.0 109.69 179.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 70.0 mt -61.58 -34.78 76.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.218 179.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 272' ' ' TYR . . . . . 0.462 ' HD1' ' HA ' ' A' ' 272' ' ' TYR . 0.5 OUTLIER -69.08 -40.02 78.71 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.399 -0.364 . . . . 10.0 110.526 179.087 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 273' ' ' ARG . . . . . 0.618 ' HA ' HG12 ' A' ' 276' ' ' VAL . 84.9 mtt180 -74.96 -42.94 56.65 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.978 -0.556 . . . . 10.0 111.417 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -63.21 -23.75 67.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.959 -0.564 . . . . 10.0 111.159 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 275' ' ' LYS . . . . . 0.675 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 8.3 mptt -98.63 -35.33 10.23 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.027 -0.533 . . . . 10.0 111.347 179.638 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 276' ' ' VAL . . . . . 0.618 HG12 ' HA ' ' A' ' 273' ' ' ARG . 4.3 p -60.31 -33.34 53.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 112.698 0.629 . . . . 10.0 112.698 -179.149 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -62.39 -60.98 8.47 Favored Pre-proline 0 CA--C 1.533 0.302 0 C-N-CA 120.904 -0.318 . . . . 10.0 111.555 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -62.93 -36.96 57.33 Favored 'Trans proline' 0 C--N 1.355 0.878 0 C-N-CA 121.841 1.694 . . . . 10.0 111.614 178.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 279' ' ' LEU . . . . . 0.899 HD22 ' HE3' ' D' ' 495' ' ' LYS . 14.4 mt -62.58 -43.98 97.47 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-O 120.755 0.312 . . . . 10.0 110.386 179.164 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -63.46 -30.28 71.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 10.0 109.926 178.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -69.87 -44.89 68.89 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.174 -0.676 . . . . 10.0 109.174 178.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -63.21 -40.24 96.9 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 109.224 -0.658 . . . . 10.0 109.224 178.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 65.4 mt -64.02 -44.68 91.84 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.746 -0.661 . . . . 10.0 110.326 178.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -63.35 -52.19 62.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.055 -0.521 . . . . 10.0 110.626 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 285' ' ' GLU . . . . . 0.692 ' HA ' ' HD2' ' A' ' 288' ' ' ARG . 62.0 mt-10 -61.69 -40.79 96.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.757 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -63.65 -43.42 97.95 Favored Glycine 0 N--CA 1.446 -0.663 0 N-CA-C 110.141 -1.184 . . . . 10.0 110.141 178.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -61.96 -38.49 88.7 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 110.228 -0.286 . . . . 10.0 110.228 178.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 288' ' ' ARG . . . . . 0.692 ' HD2' ' HA ' ' A' ' 285' ' ' GLU . 99.1 mtt180 -53.47 -54.01 43.21 Favored 'General case' 0 CA--C 1.519 -0.215 0 N-CA-C 109.306 -0.628 . . . . 10.0 109.306 179.085 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -65.76 -48.73 70.9 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.925 -1.034 . . . . 10.0 111.246 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 60.5 mttt -59.13 -47.5 85.05 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.404 0.52 . . . . 10.0 112.404 -179.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 77.0 mt -68.5 -35.98 78.26 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.753 0.311 . . . . 10.0 110.248 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 292' ' ' HIS . . . . . 0.499 ' HB2' ' O ' ' A' ' 288' ' ' ARG . 2.5 t60 -63.77 -40.02 95.68 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.104 -0.702 . . . . 10.0 109.104 178.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.08 -35.35 78.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.729 -0.669 . . . . 10.0 109.754 178.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 84.8 mt -73.93 -40.39 63.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.286 178.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -61.15 -37.58 83.36 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.263 0.554 . . . . 10.0 109.946 179.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -72.86 5.42 3.25 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.75 -0.659 . . . . 10.0 111.627 179.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . 0.489 ' O ' ' HB2' ' A' ' 301' ' ' LEU . 9.1 mmtp -124.4 -39.73 2.3 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.091 -0.504 . . . . 10.0 109.704 178.126 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 298' ' ' LEU . . . . . 0.517 ' O ' ' HA3' ' A' ' 302' ' ' GLY . 61.3 mt -65.78 -23.98 66.83 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.09 -0.505 . . . . 10.0 111.367 179.628 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 299' ' ' SER . . . . . 0.423 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 16.0 m -85.34 -63.45 0.23 Allowed Pre-proline 0 C--N 1.322 -0.6 0 N-CA-C 112.186 0.439 . . . . 10.0 112.186 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 300' ' ' PRO . . . . . 0.423 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 27.5 Cg_endo -63.39 -52.58 1.88 Allowed 'Trans proline' 0 C--N 1.355 0.904 0 C-N-CA 121.733 1.622 . . . . 10.0 111.932 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 301' ' ' LEU . . . . . 0.651 HD13 ' HG2' ' D' ' 473' ' ' LYS . 96.7 mt -71.13 -22.57 62.05 Favored 'General case' 0 C--O 1.224 -0.275 0 N-CA-C 109.93 -0.396 . . . . 10.0 109.93 179.623 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 302' ' ' GLY . . . . . 0.517 ' HA3' ' O ' ' A' ' 298' ' ' LEU . . . -72.92 -49.73 15.97 Favored Glycine 0 N--CA 1.451 -0.311 0 N-CA-C 110.632 -0.987 . . . . 10.0 110.632 178.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -62.49 -41.45 98.82 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.019 -0.734 . . . . 10.0 109.019 178.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -64.59 -40.86 96.29 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.449 -0.796 . . . . 10.0 109.508 178.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 14.3 tpt -62.22 -44.24 97.01 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.833 -0.432 . . . . 10.0 109.833 179.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 306' ' ' ARG . . . . . 0.462 ' O ' ' HG3' ' A' ' 310' ' ' ARG . 63.1 mtt180 -67.62 -32.01 72.42 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.833 -0.621 . . . . 10.0 110.177 179.488 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 307' ' ' ASP . . . . . 0.704 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 22.7 t70 -73.48 -43.67 59.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 10.0 109.778 179.038 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 308' ' ' ARG . . . . . 0.467 ' HG3' HD11 ' D' ' 469' ' ' LEU . 20.2 mmt180 -64.27 -34.3 77.79 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.932 -0.766 . . . . 10.0 108.932 177.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -64.16 -33.16 75.14 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.009 -0.737 . . . . 10.0 109.009 177.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 310' ' ' ARG . . . . . 0.704 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 87.6 mtt180 -60.83 -50.24 74.23 Favored 'General case' 0 C--O 1.225 -0.193 0 N-CA-C 108.536 -0.912 . . . . 10.0 108.536 178.481 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -64.62 -40.1 94.89 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.465 -0.789 . . . . 10.0 110.073 179.264 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -59.19 -51.56 69.45 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.189 179.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 89.2 t -68.53 -40.44 82.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.879 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -60.14 -46.75 88.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.881 0.372 . . . . 10.0 110.292 179.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -63.15 -40.57 97.95 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.9 -0.591 . . . . 10.0 109.996 179.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 316' ' ' LEU . . . . . 0.413 ' O ' ' HG ' ' A' ' 320' ' ' LEU . 20.9 mt -65.7 -44.08 87.22 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.43 179.195 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 317' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 317' ' ' ARG . 19.2 ttm105 -61.46 -46.56 89.52 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.296 -0.411 . . . . 10.0 110.413 179.338 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 5.1 m -66.67 -18.98 65.65 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.661 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -91.16 -38.54 12.67 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.552 -0.536 . . . . 10.0 109.552 179.377 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 320' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 316' ' ' LEU . 93.2 mt -70.46 -32.22 69.69 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.842 -0.617 . . . . 10.0 111.878 -179.699 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 321' ' ' ALA . . . . . 0.449 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -50.39 -59.64 6.82 Favored Pre-proline 0 CA--C 1.537 0.458 0 N-CA-C 112.418 0.525 . . . . 10.0 112.418 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 322' ' ' PRO . . . . . 0.449 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 47.6 Cg_endo -70.17 -26.81 25.26 Favored 'Trans proline' 0 C--N 1.355 0.918 0 C-N-CA 121.831 1.687 . . . . 10.0 111.846 179.29 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 15.5 m-30 -68.76 -48.07 64.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.479 -0.328 . . . . 10.0 110.672 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 324' ' ' SER . . . . . 0.56 ' HA ' ' HB2' ' A' ' 327' ' ' LEU . 7.0 p -69.0 -31.96 71.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.294 0.568 . . . . 10.0 110.151 179.174 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -63.58 -49.62 72.66 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.016 -0.735 . . . . 10.0 109.016 178.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . 0.563 ' O ' ' HG3' ' A' ' 330' ' ' ARG . 80.8 mt-10 -69.47 -29.29 66.93 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.41 -0.813 . . . . 10.0 109.315 178.611 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . 0.56 ' HB2' ' HA ' ' A' ' 324' ' ' SER . 0.5 OUTLIER -59.81 -35.69 75.21 Favored 'General case' 0 CA--C 1.52 -0.185 0 N-CA-C 109.138 -0.69 . . . . 10.0 109.138 178.422 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 328' ' ' ARG . . . . . 0.402 ' HG3' ' O ' ' A' ' 324' ' ' SER . 67.2 mtt180 -63.32 -40.93 98.71 Favored 'General case' 0 CA--C 1.518 -0.287 0 N-CA-C 108.899 -0.778 . . . . 10.0 108.899 178.288 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -67.75 -36.95 81.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.54 -0.755 . . . . 10.0 109.422 179.044 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 330' ' ' ARG . . . . . 0.788 HH21 ' HB3' ' D' ' 447' ' ' GLU . 1.2 mtt180 -64.87 -53.95 38.57 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-N 115.508 -0.769 . . . . 10.0 109.709 178.711 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 84.7 mt -58.18 -45.73 87.01 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.717 -0.674 . . . . 10.0 110.537 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -59.56 -50.75 72.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.344 179.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -61.84 -47.33 85.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.515 -0.312 . . . . 10.0 110.973 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 15.1 mmt180 -60.64 -48.88 79.81 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.781 179.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 62.6 mt -66.37 -34.48 78.06 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 112.023 0.379 . . . . 10.0 112.023 -179.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -68.72 -39.01 80.64 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.738 -0.467 . . . . 10.0 109.738 178.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -65.09 -40.8 95.13 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 108.041 -1.096 . . . . 10.0 108.041 177.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 338' ' ' LEU . . . . . 0.412 ' O ' ' HA3' ' A' ' 342' ' ' GLY . 42.7 mt -66.13 -24.94 66.77 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-N 115.286 -0.87 . . . . 10.0 110.885 178.659 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 48.9 mttt -80.63 -48.63 12.37 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.81 0.338 . . . . 10.0 110.584 179.241 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -64.93 -55.12 21.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.282 179.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -68.75 -39.69 80.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.224 179.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 342' ' ' GLY . . . . . 0.412 ' HA3' ' O ' ' A' ' 338' ' ' LEU . . . -61.76 -39.36 97.34 Favored Glycine 0 N--CA 1.453 -0.219 0 N-CA-C 111.278 -0.729 . . . . 10.0 111.278 179.127 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -63.04 -41.51 99.83 Favored Glycine 0 N--CA 1.446 -0.669 0 N-CA-C 110.573 -1.011 . . . . 10.0 110.573 178.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -66.42 -43.83 84.61 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 108.946 -0.761 . . . . 10.0 108.946 178.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 29.8 mtm180 -59.28 -43.72 92.52 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.831 178.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 30.6 mt -62.75 -46.52 87.66 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.015 178.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.69 -42.74 89.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.0 -0.546 . . . . 10.0 109.664 179.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 348' ' ' GLU . . . . . 0.604 ' HB3' ' HE2' ' A' ' 352' ' ' LYS . 2.6 mt-10 -66.47 -42.19 87.91 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.679 -0.691 . . . . 10.0 109.915 178.387 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 8.5 m-30 -62.1 -41.01 97.78 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.868 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 53.0 m-70 -62.38 -43.4 98.91 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 109.671 -0.492 . . . . 10.0 109.671 179.178 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -65.74 -46.27 79.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.787 -0.642 . . . . 10.0 109.525 178.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 352' ' ' LYS . . . . . 0.604 ' HE2' ' HB3' ' A' ' 348' ' ' GLU . 30.5 mttm -59.75 -43.68 94.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.39 179.27 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -63.59 -39.46 94.45 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.97 -0.381 . . . . 10.0 109.97 178.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 86.7 m -63.77 -48.26 77.66 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.7 -0.481 . . . . 10.0 109.7 178.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -63.39 -34.8 78.52 Favored 'General case' 0 C--O 1.226 -0.169 0 CA-C-O 121.01 0.433 . . . . 10.0 110.213 179.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 356' ' ' HIS . . . . . 0.461 ' O ' ' HB2' ' A' ' 360' ' ' LEU . 0.1 OUTLIER -73.1 -26.01 61.09 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.958 179.347 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 52.3 mt -79.18 -39.92 32.15 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.758 0.313 . . . . 10.0 110.587 179.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 1.2 p -66.91 -38.4 86.16 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.673 -0.492 . . . . 10.0 109.673 178.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 17.2 p -73.82 -30.02 62.47 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 116.005 -0.543 . . . . 10.0 109.837 178.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 360' ' ' LEU . . . . . 0.595 HD12 ' HD2' ' A' ' 363' ' ' LYS . 24.5 tp -69.21 -25.95 64.57 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 108.92 -0.77 . . . . 10.0 108.92 178.461 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 24.7 m -66.16 -25.78 67.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.619 -0.719 . . . . 10.0 110.207 179.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 362' ' ' GLU . . . . . 0.416 ' O ' ' HD2' ' A' ' 366' ' ' PRO . 7.4 mm-40 -71.5 -23.68 61.84 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 108.874 -0.787 . . . . 10.0 108.874 178.584 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 363' ' ' LYS . . . . . 0.829 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 87.6 mttt -91.81 -30.1 16.4 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.341 -0.845 . . . . 10.0 109.587 178.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 364' ' ' ALA . . . . . 0.453 ' HA ' HD12 ' A' ' 368' ' ' LEU . . . -80.7 -29.54 36.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.791 -0.64 . . . . 10.0 112.461 -179.293 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 365' ' ' LYS . . . . . 0.865 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 43.0 mtmt -105.7 -75.43 0.02 OUTLIER Pre-proline 0 CA--C 1.539 0.521 0 N-CA-C 113.083 0.771 . . . . 10.0 113.083 179.616 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 366' ' ' PRO . . . . . 0.865 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 31.9 Cg_exo -60.06 -56.85 0.95 Allowed 'Trans proline' 0 C--N 1.358 1.035 0 C-N-CA 122.21 1.94 . . . . 10.0 113.041 -179.178 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 367' ' ' ALA . . . . . 0.829 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -57.22 -48.2 79.41 Favored 'General case' 0 C--N 1.333 -0.135 0 N-CA-C 111.943 0.349 . . . . 10.0 111.943 -179.208 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 368' ' ' LEU . . . . . 0.453 HD12 ' HA ' ' A' ' 364' ' ' ALA . 2.3 mt -63.15 -36.06 82.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.65 0.262 . . . . 10.0 110.905 179.513 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -63.67 -48.77 75.85 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 109.226 -0.657 . . . . 10.0 109.226 178.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -59.07 -42.37 90.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.652 -0.704 . . . . 10.0 109.888 179.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 371' ' ' LEU . . . . . 0.427 ' O ' ' HG ' ' A' ' 375' ' ' LEU . 83.8 mt -64.26 -50.34 68.35 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.663 -0.698 . . . . 10.0 110.783 179.543 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 372' ' ' ARG . . . . . 0.431 ' O ' ' HG ' ' A' ' 376' ' ' LEU . 87.8 mtt180 -61.42 -46.96 87.94 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.448 -0.342 . . . . 10.0 111.647 -179.304 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -66.85 -19.96 65.83 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.935 0.397 . . . . 10.0 110.806 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -88.58 -37.33 7.53 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.935 -0.65 . . . . 10.0 111.553 178.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 375' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 371' ' ' LEU . 92.2 mt -72.68 -25.73 61.36 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 111.833 0.309 . . . . 10.0 111.833 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 376' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 372' ' ' ARG . 58.6 mt -54.46 -59.28 10.69 Favored Pre-proline 0 CA--C 1.537 0.48 0 N-CA-C 111.679 0.251 . . . . 10.0 111.679 179.394 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -65.87 -27.23 51.45 Favored 'Trans proline' 0 C--N 1.357 0.991 0 C-N-CA 121.955 1.77 . . . . 10.0 110.806 178.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 18.0 t -62.51 -47.53 92.53 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 N-CA-C 108.589 -0.893 . . . . 10.0 108.589 178.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 379' ' ' LEU . . . . . 0.475 ' O ' ' HG3' ' A' ' 383' ' ' LYS . 81.1 mt -61.44 -39.77 92.02 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.114 -0.698 . . . . 10.0 109.114 178.556 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -58.63 -48.94 79.3 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.839 -0.619 . . . . 10.0 111.127 179.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 5.3 p -67.56 -34.29 76.76 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 121.133 0.492 . . . . 10.0 110.468 179.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -68.13 -37.24 80.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.798 179.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 383' ' ' LYS . . . . . 0.475 ' HG3' ' O ' ' A' ' 379' ' ' LEU . 79.7 mttt -60.55 -50.55 73.08 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.683 -0.488 . . . . 10.0 109.683 179.223 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 51.9 t -59.89 -47.56 91.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.53 -0.759 . . . . 10.0 111.144 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 2.6 p -65.23 -40.89 94.69 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.63 -0.259 . . . . 10.0 111.695 -179.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -66.52 -41.37 88.92 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.596 0.236 . . . . 10.0 110.704 179.248 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 387' ' ' LEU . . . . . 0.463 ' O ' ' HG3' ' A' ' 391' ' ' GLU . 85.5 mt -63.6 -47.2 82.4 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.898 179.656 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 388' ' ' SER . . . . . 0.678 ' HB2' ' HE2' ' D' ' 594' ' ' LYS . 2.5 p -66.66 -33.75 76.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.846 0.355 . . . . 10.0 110.423 179.27 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -63.85 -43.41 96.22 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 109.334 -0.617 . . . . 10.0 109.334 178.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 76.0 mt -60.02 -37.79 80.76 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 116.162 -0.472 . . . . 10.0 109.864 178.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 391' ' ' GLU . . . . . 0.463 ' HG3' ' O ' ' A' ' 387' ' ' LEU . 42.2 mt-10 -63.99 -44.2 93.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.168 0.508 . . . . 10.0 109.894 178.618 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -63.18 -40.48 97.64 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.811 -0.632 . . . . 10.0 111.637 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 393' ' ' TYR . . . . . 0.412 ' O ' ' HB2' ' A' ' 397' ' ' LEU . 59.0 m-85 -76.72 2.76 13.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.877 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 57.2 m -114.26 -47.28 2.94 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.366 -0.379 . . . . 10.0 110.752 178.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -60.37 -34.14 73.45 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.794 0.664 . . . . 10.0 112.794 -179.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 1.9 mptt -111.23 11.69 21.77 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 113.585 0.958 . . . . 10.0 113.585 -178.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 397' ' ' LEU . . . . . 0.412 ' HB2' ' O ' ' A' ' 393' ' ' TYR . 66.1 mt -130.14 -13.15 4.03 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.389 0.515 . . . . 10.0 112.389 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 48.8 t30 . . . . . 0 C--N 1.327 -0.412 0 CA-C-N 116.566 -0.288 . . . . 10.0 110.652 179.925 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 4.2 mm? . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.981 0.419 . . . . 10.0 110.52 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 4.7 mtpm? -129.15 22.26 5.69 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.662 -0.699 . . . . 10.0 109.658 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 94.7 mt -78.63 -27.38 45.39 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.26 -0.882 . . . . 10.0 109.806 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 95.5 mt -63.65 -39.63 94.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.599 -0.728 . . . . 10.0 109.975 179.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -61.36 -47.32 86.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.296 -0.866 . . . . 10.0 109.765 179.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -67.82 -36.41 80.33 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.826 -0.624 . . . . 10.0 110.51 179.165 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.85 -32.57 71.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.502 . . . . 10.0 110.245 179.236 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -61.63 -45.58 93.46 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 115.909 -0.587 . . . . 10.0 109.472 178.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 1.5 m -61.39 -38.78 88.31 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 115.945 -0.571 . . . . 10.0 110.274 179.279 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 49.1 t -66.16 -42.97 92.19 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 CA-C-N 115.77 -0.65 . . . . 10.0 109.713 178.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 8.9 m -63.78 -40.4 96.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.211 179.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 13.1 m -62.15 -48.39 80.28 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 116.196 -0.457 . . . . 10.0 110.654 179.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 1.1 p -64.77 -36.69 85.14 Favored 'General case' 0 N--CA 1.456 -0.151 0 CA-C-N 116.671 -0.241 . . . . 10.0 111.111 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 4.7 m-30 -65.7 -43.61 88.65 Favored 'General case' 0 CA--C 1.522 -0.106 0 N-CA-C 109.904 -0.406 . . . . 10.0 109.904 179.058 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 20.3 m -66.45 -36.77 83.61 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 109.313 -0.625 . . . . 10.0 109.313 178.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 50.6 mmtt -66.33 -33.17 75.12 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 115.968 -0.56 . . . . 10.0 110.284 178.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 20.8 mt -65.41 -39.85 92.68 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 108.894 -0.78 . . . . 10.0 108.894 177.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -67.73 -36.71 81.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.538 -0.756 . . . . 10.0 109.888 178.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -64.24 -30.37 71.43 Favored 'General case' 0 C--N 1.334 -0.076 0 CA-C-N 115.663 -0.698 . . . . 10.0 109.398 178.342 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -80.06 -47.95 14.05 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.762 -0.654 . . . . 10.0 109.474 178.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 41.0 mt -46.62 -45.99 19.42 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 115.373 -0.83 . . . . 10.0 112.846 -179.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -49.78 -75.15 0.22 Allowed Glycine 0 C--N 1.335 0.496 0 C-N-CA 121.243 -0.503 . . . . 10.0 112.983 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 421' ' ' PRO . . . . . 0.628 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 50.2 Cg_exo -55.94 -45.89 35.31 Favored 'Trans proline' 0 CA--C 1.528 0.186 0 C-N-CA 122.865 2.377 . . . . 10.0 112.389 179.233 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 422' ' ' VAL . . . . . 0.471 ' O ' ' HB2' ' D' ' 426' ' ' PHE . 63.7 t -55.64 -49.88 70.97 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 N-CA-C 113.008 0.744 . . . . 10.0 113.008 -178.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 29.7 p -64.27 -39.74 94.55 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.919 -0.312 . . . . 10.0 111.221 -179.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -60.26 -51.62 68.79 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.539 -0.301 . . . . 10.0 110.757 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 425' ' ' GLU . . . . . 0.628 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 9.3 pt-20 -70.6 -31.73 68.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.828 179.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 426' ' ' PHE . . . . . 0.471 ' HB2' ' O ' ' D' ' 422' ' ' VAL . 5.4 t80 -67.6 -38.68 84.32 Favored 'General case' 0 CA--C 1.521 -0.166 0 N-CA-C 109.336 -0.616 . . . . 10.0 109.336 178.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 427' ' ' TRP . . . . . 0.479 ' O ' ' HG3' ' D' ' 431' ' ' GLU . 4.2 m95 -67.2 -40.06 86.44 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.285 -0.635 . . . . 10.0 109.285 178.189 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 428' ' ' ASP . . . . . 0.402 ' O ' ' HG3' ' D' ' 432' ' ' LYS . 23.5 t70 -65.89 -33.61 76.22 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.786 -0.82 . . . . 10.0 108.786 177.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -69.78 -41.23 75.39 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.959 -0.756 . . . . 10.0 108.959 177.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 430' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' D' ' 426' ' ' PHE . 79.2 mt -61.3 -37.56 83.64 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 115.594 -0.73 . . . . 10.0 109.165 178.404 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 431' ' ' GLU . . . . . 0.479 ' HG3' ' O ' ' D' ' 427' ' ' TRP . 29.2 mt-10 -65.37 -41.78 93.44 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.167 -0.679 . . . . 10.0 109.167 178.089 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 432' ' ' LYS . . . . . 0.402 ' HG3' ' O ' ' D' ' 428' ' ' ASP . 40.8 mttp -61.07 -44.17 97.78 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.227 -0.657 . . . . 10.0 109.227 178.14 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -64.64 -48.21 75.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.551 -0.749 . . . . 10.0 111.452 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 3.2 p -63.41 -41.12 98.72 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.925 -0.31 . . . . 10.0 110.396 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -61.29 -46.54 89.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.92 0.391 . . . . 10.0 110.03 178.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -62.23 -47.96 86.03 Favored Glycine 0 N--CA 1.443 -0.898 0 N-CA-C 110.268 -1.133 . . . . 10.0 110.268 178.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 437' ' ' LEU . . . . . 0.414 ' O ' ' HB2' ' D' ' 441' ' ' MET . 60.9 mt -60.88 -32.32 71.77 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 115.773 -0.213 . . . . 10.0 110.808 179.263 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 51.1 mtt180 -67.32 -43.2 82.18 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.567 -0.531 . . . . 10.0 109.567 178.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -65.42 -35.17 80.13 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.787 -0.642 . . . . 10.0 109.989 179.439 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -76.74 -50.75 12.84 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.753 -0.658 . . . . 10.0 110.436 179.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 441' ' ' MET . . . . . 0.414 ' HB2' ' O ' ' D' ' 437' ' ' LEU . 13.2 mmm -63.11 -34.22 77.13 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 113.716 1.006 . . . . 10.0 113.716 -178.653 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 4.1 p -62.04 -52.6 63.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.318 0.58 . . . . 10.0 109.841 179.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 443' ' ' LYS . . . . . 0.511 ' O ' ' HB2' ' D' ' 447' ' ' GLU . 63.0 tttp -66.47 -37.83 85.98 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.445 -0.798 . . . . 10.0 109.871 179.159 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -62.12 -56.21 21.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.755 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 21.0 mt -61.81 -47.4 85.3 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.299 0.481 . . . . 10.0 112.299 -179.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 50.4 mm-40 -59.58 -46.03 90.13 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 120.849 0.357 . . . . 10.0 110.869 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 447' ' ' GLU . . . . . 0.788 ' HB3' HH21 ' A' ' 330' ' ' ARG . 5.9 tt0 -68.2 -34.33 76.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.011 -0.54 . . . . 10.0 109.603 179.223 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 1.5 t -60.14 -41.58 87.08 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.172 0 CA-C-N 115.902 -0.59 . . . . 10.0 109.963 179.002 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -60.19 -45.36 93.41 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.114 0.483 . . . . 10.0 109.845 179.017 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -76.95 5.01 8.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.72 -0.673 . . . . 10.0 111.512 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 56.8 mttm -115.3 -44.76 2.97 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.375 -0.375 . . . . 10.0 110.475 179.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 95.1 t -65.36 -39.38 85.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.693 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 453' ' ' GLN . . . . . 0.478 ' HB2' ' HD3' ' D' ' 454' ' ' PRO . 66.8 mt-30 -55.38 -60.59 7.92 Favored Pre-proline 0 CA--C 1.537 0.469 0 CA-C-N 116.691 -0.231 . . . . 10.0 111.249 179.145 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 454' ' ' PRO . . . . . 0.478 ' HD3' ' HB2' ' D' ' 453' ' ' GLN . 41.3 Cg_endo -69.05 -23.26 34.25 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.014 1.809 . . . . 10.0 111.761 178.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 455' ' ' TYR . . . . . 0.438 ' O ' ' HB2' ' D' ' 459' ' ' PHE . 55.3 t80 -69.14 -48.2 63.0 Favored 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 108.655 -0.869 . . . . 10.0 108.655 178.61 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 49.8 mt -66.93 -35.25 79.57 Favored 'General case' 0 C--O 1.22 -0.496 0 CA-C-N 115.731 -0.668 . . . . 10.0 109.521 178.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 457' ' ' ASP . . . . . 0.457 ' HB3' ' HA ' ' D' ' 454' ' ' PRO . 6.0 t70 -61.54 -54.02 48.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.055 178.678 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 458' ' ' ASP . . . . . 0.574 ' HA ' ' HD2' ' D' ' 461' ' ' LYS . 35.8 t70 -64.4 -34.85 79.12 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.844 -0.617 . . . . 10.0 110.379 179.579 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 459' ' ' PHE . . . . . 0.438 ' HB2' ' O ' ' D' ' 455' ' ' TYR . 0.2 OUTLIER -69.95 -40.09 75.65 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.329 178.782 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -63.97 -35.21 79.94 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 109.255 -0.646 . . . . 10.0 109.255 178.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 461' ' ' LYS . . . . . 0.574 ' HD2' ' HA ' ' D' ' 458' ' ' ASP . 67.0 mttt -63.46 -46.22 87.21 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 115.626 -0.716 . . . . 10.0 109.141 177.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 6.9 mtmm -67.22 -34.96 78.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.056 178.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 17.8 m0 -63.98 -49.19 73.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.709 -0.678 . . . . 10.0 109.388 178.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -62.07 -41.94 98.68 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 115.833 -0.621 . . . . 10.0 110.109 179.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 465' ' ' GLU . . . . . 0.606 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 34.6 mt-10 -56.93 -53.71 54.85 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 109.756 -0.461 . . . . 10.0 109.756 179.073 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -61.34 -40.76 95.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.893 -0.594 . . . . 10.0 110.343 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 56.6 ttm -60.75 -47.69 85.15 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.14 -0.482 . . . . 10.0 109.932 179.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -63.6 -43.38 97.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.952 -0.567 . . . . 10.0 109.809 178.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 469' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' D' ' 465' ' ' GLU . 88.8 mt -62.93 -36.43 83.38 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.668 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 11.5 m-30 -65.91 -29.16 69.54 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.979 0.418 . . . . 10.0 110.816 179.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 74.5 mtt180 -73.2 -18.87 61.21 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.228 -0.656 . . . . 10.0 109.228 178.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -109.12 3.26 21.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.766 -0.652 . . . . 10.0 111.032 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 473' ' ' LYS . . . . . 0.651 ' HG2' HD13 ' A' ' 301' ' ' LEU . 52.0 mttp -125.51 -67.04 0.91 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.622 179.71 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 30.0 t -62.71 -43.34 98.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 10.0 111.389 -179.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -57.12 -59.47 12.57 Favored Pre-proline 0 CA--C 1.538 0.511 0 N-CA-C 112.657 0.614 . . . . 10.0 112.657 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -62.82 -38.61 47.38 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 121.725 1.617 . . . . 10.0 111.248 178.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 27.3 mt -63.7 -32.59 74.13 Favored 'General case' 0 C--O 1.22 -0.476 0 CA-C-N 116.699 -0.228 . . . . 10.0 110.414 179.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 13.7 mtt180 -61.29 -47.04 87.81 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.278 -0.638 . . . . 10.0 109.278 178.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -64.6 -44.53 90.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.578 179.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -64.93 -44.64 88.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.731 179.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 65.3 mt -66.55 -31.92 72.94 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.883 -0.414 . . . . 10.0 109.883 178.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -67.49 -40.97 85.22 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 108.782 -0.821 . . . . 10.0 108.782 177.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.12 -41.15 95.12 Favored 'General case' 0 CA--C 1.517 -0.29 0 N-CA-C 109.16 -0.681 . . . . 10.0 109.16 178.599 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -66.15 -36.93 92.53 Favored Glycine 0 N--CA 1.441 -0.972 0 N-CA-C 110.262 -1.135 . . . . 10.0 110.262 178.356 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -66.96 -43.63 82.6 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 109.045 -0.724 . . . . 10.0 109.045 178.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 81.5 mtt180 -64.51 -40.3 95.38 Favored 'General case' 0 CA--C 1.518 -0.272 0 O-C-N 123.596 0.56 . . . . 10.0 109.802 178.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.17 -53.6 53.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.816 -0.629 . . . . 10.0 109.712 179.048 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 70.0 tttt -65.54 -32.82 74.61 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.777 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 489' ' ' LEU . . . . . 0.458 ' O ' ' HG3' ' D' ' 493' ' ' GLN . 1.6 mt -63.83 -47.8 79.37 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 108.639 -0.874 . . . . 10.0 108.639 178.277 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -62.02 -43.96 97.73 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 108.353 -0.98 . . . . 10.0 108.353 178.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -54.72 -51.71 64.76 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.64 -0.709 . . . . 10.0 109.246 178.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 92.5 mt -60.75 -47.33 86.81 Favored 'General case' 0 C--O 1.217 -0.616 0 CA-C-N 115.461 -0.791 . . . . 10.0 111.353 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 493' ' ' GLN . . . . . 0.458 ' HG3' ' O ' ' D' ' 489' ' ' LEU . 95.6 mt-30 -59.73 -37.53 79.2 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.067 0.46 . . . . 10.0 111.293 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -69.74 -7.11 36.67 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.023 -0.535 . . . . 10.0 111.358 179.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 495' ' ' LYS . . . . . 0.899 ' HE3' HD22 ' A' ' 279' ' ' LEU . 16.5 mttp -116.76 -33.62 4.75 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.879 179.257 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 81.3 mt -64.67 -28.0 69.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.452 -0.34 . . . . 10.0 111.506 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 497' ' ' SER . . . . . 0.494 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 6.5 m -74.43 -60.92 1.27 Allowed Pre-proline 0 C--N 1.323 -0.546 0 C-N-CA 120.672 -0.411 . . . . 10.0 111.432 178.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 498' ' ' PRO . . . . . 0.494 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 30.1 Cg_endo -65.21 -50.35 2.1 Favored 'Trans proline' 0 C--N 1.359 1.107 0 C-N-CA 121.719 1.613 . . . . 10.0 112.244 179.463 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 499' ' ' LEU . . . . . 0.592 ' HB2' ' O ' ' D' ' 495' ' ' LYS . 6.5 mp -69.04 -28.73 66.82 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 120.548 0.213 . . . . 10.0 110.767 -179.696 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -65.89 -51.33 46.9 Favored Glycine 0 N--CA 1.446 -0.655 0 N-CA-C 110.014 -1.234 . . . . 10.0 110.014 178.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -65.36 -33.97 77.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.201 0.524 . . . . 10.0 109.616 178.294 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 502' ' ' GLU . . . . . 0.51 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 19.7 tt0 -63.97 -52.39 59.9 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.558 -0.746 . . . . 10.0 109.554 179.005 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 503' ' ' MET . . . . . 0.603 ' HA ' ' HD2' ' D' ' 506' ' ' ARG . 74.0 mmm -61.28 -37.22 82.38 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 121.019 0.438 . . . . 10.0 110.374 179.045 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 504' ' ' ARG . . . . . 0.447 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 76.9 mtt180 -65.67 -43.51 89.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.893 -0.594 . . . . 10.0 109.842 178.684 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 505' ' ' ASP . . . . . 0.728 ' HA ' ' HD2' ' D' ' 508' ' ' ARG . 4.6 t70 -69.09 -35.44 76.5 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.413 -0.358 . . . . 10.0 110.236 179.432 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 506' ' ' ARG . . . . . 0.603 ' HD2' ' HA ' ' D' ' 503' ' ' MET . 52.1 mtt180 -61.4 -43.44 98.86 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 107.525 -1.287 . . . . 10.0 107.525 177.179 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -61.82 -39.07 90.49 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-N 114.975 -1.012 . . . . 10.0 109.567 178.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 508' ' ' ARG . . . . . 0.728 ' HD2' ' HA ' ' D' ' 505' ' ' ASP . 83.7 mtt180 -61.26 -43.89 98.13 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.184 -0.673 . . . . 10.0 109.184 178.417 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 509' ' ' ALA . . . . . 0.4 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -63.86 -32.19 73.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.499 -0.773 . . . . 10.0 111.34 179.648 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 510' ' ' HIS . . . . . 0.506 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 80.3 m-70 -83.09 -46.88 12.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.204 179.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 79.2 t -63.22 -41.35 92.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.556 -0.293 . . . . 10.0 110.623 179.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 512' ' ' ASP . . . . . 0.592 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 15.0 t70 -65.9 -35.65 81.21 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.502 -0.555 . . . . 10.0 109.502 178.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -67.08 -43.16 83.31 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 108.648 -0.871 . . . . 10.0 108.648 178.071 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 514' ' ' LEU . . . . . 0.627 ' HA ' ' HB2' ' D' ' 517' ' ' HIS . 96.0 mt -60.6 -24.9 65.85 Favored 'General case' 0 CA--C 1.526 0.038 0 CA-C-O 120.97 0.414 . . . . 10.0 110.748 179.171 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 515' ' ' ARG . . . . . 0.592 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 77.7 mtt180 -69.47 -22.73 63.61 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.537 -0.542 . . . . 10.0 109.537 178.522 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.12 -4.58 15.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.807 -0.633 . . . . 10.0 110.109 179.119 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 517' ' ' HIS . . . . . 0.627 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 16.3 m170 -103.45 -48.52 3.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.778 -0.647 . . . . 10.0 111.343 -179.565 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 52.2 mt -94.36 -49.44 5.7 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.265 -0.425 . . . . 10.0 112.126 -178.236 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 519' ' ' ALA . . . . . 0.557 ' HB3' ' O ' ' D' ' 515' ' ' ARG . . . -51.46 -55.31 30.33 Favored Pre-proline 0 CA--C 1.54 0.593 0 N-CA-C 114.298 1.221 . . . . 10.0 114.298 -178.535 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 520' ' ' PRO . . . . . 0.535 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 15.8 Cg_exo -70.72 -36.04 8.89 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 121.988 1.792 . . . . 10.0 111.812 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -69.53 -34.88 74.89 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.753 -0.658 . . . . 10.0 112.125 -178.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 522' ' ' SER . . . . . 0.571 ' HA ' HD12 ' D' ' 525' ' ' LEU . 3.1 p -63.96 -32.56 74.13 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.65 -0.5 . . . . 10.0 109.65 179.456 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 523' ' ' ASP . . . . . 0.759 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 13.3 t70 -70.52 -37.15 74.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.886 -0.597 . . . . 10.0 109.498 178.563 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -67.64 -35.33 78.69 Favored 'General case' 0 CA--C 1.521 -0.139 0 N-CA-C 108.453 -0.943 . . . . 10.0 108.453 177.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 525' ' ' LEU . . . . . 0.571 HD12 ' HA ' ' D' ' 522' ' ' SER . 74.9 mt -65.91 -36.18 82.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.351 -0.84 . . . . 10.0 108.953 177.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 526' ' ' ARG . . . . . 0.759 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 80.1 mtt180 -60.81 -32.5 71.87 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.509 179.517 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -67.37 -42.82 82.81 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.036 -0.727 . . . . 10.0 109.036 178.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 528' ' ' ARG . . . . . 0.748 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 84.1 mtt180 -69.5 -39.24 77.72 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.05 -0.977 . . . . 10.0 109.004 179.208 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 529' ' ' LEU . . . . . 0.48 ' O ' ' HB2' ' D' ' 533' ' ' LEU . 32.9 mt -61.02 -35.34 76.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.716 -0.674 . . . . 10.0 110.101 178.398 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -69.9 -40.19 75.76 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 115.812 -0.631 . . . . 10.0 109.654 178.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -68.26 -45.98 71.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.044 -0.525 . . . . 10.0 109.981 179.254 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 -60.79 -41.72 96.16 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.054 -0.721 . . . . 10.0 109.054 178.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 533' ' ' LEU . . . . . 0.48 ' HB2' ' O ' ' D' ' 529' ' ' LEU . 1.2 mt -67.47 -38.65 84.74 Favored 'General case' 0 C--O 1.221 -0.418 0 CA-C-N 115.848 -0.614 . . . . 10.0 110.483 178.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -61.49 -42.99 99.63 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.594 -0.521 . . . . 10.0 109.594 179.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -67.62 -44.5 77.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.85 -0.614 . . . . 10.0 109.887 178.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 58.0 mt -62.34 -37.78 86.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.804 -0.634 . . . . 10.0 110.89 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -74.52 -36.49 63.2 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.532 -0.303 . . . . 10.0 110.998 179.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -68.83 -56.83 6.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.792 0.329 . . . . 10.0 110.14 179.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 51.8 m-20 -65.58 -31.33 72.32 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 109.093 -0.706 . . . . 10.0 109.093 179.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -66.87 -41.56 93.39 Favored Glycine 0 N--CA 1.445 -0.743 0 N-CA-C 110.87 -0.892 . . . . 10.0 110.87 179.038 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -65.08 -38.63 95.58 Favored Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 110.104 -1.198 . . . . 10.0 110.104 178.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -67.29 -46.88 72.27 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 109.091 -0.707 . . . . 10.0 109.091 178.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 543' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' D' ' 543' ' ' ARG . 57.0 mtt85 -61.53 -28.48 69.35 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.961 179.155 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 20.0 mt -65.42 -44.72 86.49 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.229 -0.656 . . . . 10.0 109.229 178.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -69.75 -41.96 74.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.662 -0.699 . . . . 10.0 109.392 178.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 546' ' ' GLU . . . . . 0.421 ' O ' ' HB2' ' D' ' 550' ' ' LYS . 64.9 mt-10 -60.5 -47.08 87.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.651 -0.704 . . . . 10.0 110.447 179.191 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 547' ' ' TYR . . . . . 0.416 ' HB2' ' O ' ' D' ' 543' ' ' ARG . 0.8 OUTLIER -65.52 -36.06 82.69 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.879 179.446 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -67.61 -45.99 73.85 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.888 -0.412 . . . . 10.0 109.888 178.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -63.25 -41.72 99.1 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 108.968 -0.753 . . . . 10.0 108.968 178.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 550' ' ' LYS . . . . . 0.56 ' HD3' HG22 ' A' ' 224' ' ' VAL . 0.0 OUTLIER -62.63 -43.64 98.31 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.528 -0.76 . . . . 10.0 109.983 178.591 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -63.47 -35.28 79.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.283 -0.417 . . . . 10.0 110.38 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 38.8 m -68.58 -47.16 67.49 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.84 -0.618 . . . . 10.0 109.829 179.237 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -66.8 -36.49 82.5 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.134 0.493 . . . . 10.0 109.88 178.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 554' ' ' HIS . . . . . 0.441 ' O ' ' HG ' ' D' ' 558' ' ' LEU . 80.1 t60 -66.86 -43.59 83.2 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.713 -0.676 . . . . 10.0 109.958 178.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 21.4 tp -61.33 -39.56 90.97 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.077 -0.511 . . . . 10.0 111.197 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.76 -40.41 88.23 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.445 -0.343 . . . . 10.0 110.489 179.326 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.87 -29.52 65.64 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 121.011 0.434 . . . . 10.0 109.989 178.451 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 558' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' D' ' 554' ' ' HIS . 24.5 mt -64.71 -54.33 33.17 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 115.828 -0.623 . . . . 10.0 109.417 178.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 559' ' ' SER . . . . . 0.582 ' HB2' ' HE3' ' D' ' 563' ' ' LYS . 2.0 p -63.81 -34.81 78.75 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.771 -0.649 . . . . 10.0 110.744 179.545 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -58.97 -33.44 70.66 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 116.045 -0.525 . . . . 10.0 109.89 178.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.5 27.78 9.35 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.054 179.385 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 562' ' ' ALA . . . . . 0.569 ' HB3' ' HA ' ' D' ' 559' ' ' SER . . . -125.95 -49.0 1.61 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.695 -0.684 . . . . 10.0 110.371 179.02 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 563' ' ' LYS . . . . . 0.582 ' HE3' ' HB2' ' D' ' 559' ' ' SER . 94.6 mttt -58.68 -62.13 6.31 Favored Pre-proline 0 CA--C 1.535 0.371 0 CA-C-N 116.519 -0.31 . . . . 10.0 111.373 179.475 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 564' ' ' PRO . . . . . 0.579 ' HD3' ' HB2' ' D' ' 563' ' ' LYS . 57.2 Cg_endo -70.91 -23.77 25.15 Favored 'Trans proline' 0 C--N 1.358 1.063 0 C-N-CA 121.784 1.656 . . . . 10.0 110.934 179.468 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -67.04 -50.69 61.16 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 115.773 -0.649 . . . . 10.0 109.551 179.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 43.5 mt -62.73 -34.78 77.9 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 109.336 -0.616 . . . . 10.0 109.336 178.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -62.19 -52.58 63.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.498 -0.773 . . . . 10.0 109.208 178.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -64.36 -36.02 82.78 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 116.123 -0.49 . . . . 10.0 110.101 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 8.8 mt -59.47 -51.97 67.59 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.262 -0.644 . . . . 10.0 109.262 178.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -66.45 -39.18 88.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.35 -0.386 . . . . 10.0 110.889 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -64.7 -23.31 67.21 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.885 179.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 572' ' ' GLY . . . . . 0.414 ' O ' ' HB ' ' D' ' 576' ' ' VAL . . . -97.6 -29.74 7.63 Favored Glycine 0 N--CA 1.446 -0.668 0 N-CA-C 111.08 -0.808 . . . . 10.0 111.08 178.591 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 573' ' ' LEU . . . . . 0.404 ' HA ' HG12 ' D' ' 576' ' ' VAL . 32.2 mt -70.54 -38.05 74.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.753 -0.224 . . . . 10.0 111.312 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 76.8 mt -56.37 -61.7 6.19 Favored Pre-proline 0 CA--C 1.536 0.437 0 N-CA-C 112.48 0.548 . . . . 10.0 112.48 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -64.96 -32.9 53.55 Favored 'Trans proline' 0 C--N 1.351 0.665 0 C-N-CA 121.766 1.644 . . . . 10.0 111.982 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 576' ' ' VAL . . . . . 0.414 ' HB ' ' O ' ' D' ' 572' ' ' GLY . 0.3 OUTLIER -68.56 -39.34 80.4 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-O 120.729 0.299 . . . . 10.0 110.671 179.783 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 10.3 mt -65.96 -45.27 82.36 Favored 'General case' 0 CA--C 1.515 -0.402 0 N-CA-C 109.565 -0.532 . . . . 10.0 109.565 178.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -58.8 -42.35 88.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.675 179.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 32.2 m -71.1 -40.65 71.38 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.266 -0.424 . . . . 10.0 110.555 179.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 3.1 m-30 -64.82 -38.13 89.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.603 -0.271 . . . . 10.0 111.246 179.082 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 83.1 mttt -56.61 -45.71 81.3 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.391 -0.368 . . . . 10.0 110.685 179.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 68.8 t -64.43 -38.3 82.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.292 0.568 . . . . 10.0 109.962 179.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 5.5 m -65.35 -38.42 90.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.703 -0.68 . . . . 10.0 110.553 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -73.18 -41.61 63.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.278 179.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 77.9 mt -60.67 -53.54 56.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.984 -0.553 . . . . 10.0 111.336 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 586' ' ' SER . . . . . 0.402 ' O ' ' HG3' ' D' ' 590' ' ' GLU . 23.4 p -63.05 -30.76 71.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.927 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -71.61 -56.7 5.36 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 116.503 -0.317 . . . . 10.0 110.181 178.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 87.5 mt -57.49 -42.96 83.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.075 -0.512 . . . . 10.0 111.737 -179.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 589' ' ' GLU . . . . . 0.429 ' O ' ' HG3' ' D' ' 593' ' ' LYS . 18.7 tt0 -59.41 -50.99 71.84 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.544 -0.298 . . . . 10.0 110.999 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 590' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' D' ' 586' ' ' SER . 5.8 mt-10 -68.56 -33.57 74.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.446 -0.343 . . . . 10.0 111.36 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -61.81 -42.59 99.21 Favored 'General case' 0 C--N 1.333 -0.127 0 N-CA-C 109.66 -0.496 . . . . 10.0 109.66 178.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 6.0 m -69.05 -30.43 68.78 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.163 179.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 593' ' ' LYS . . . . . 0.429 ' HG3' ' O ' ' D' ' 589' ' ' GLU . 85.5 mttt -68.84 -37.94 79.48 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.923 0.392 . . . . 10.0 110.209 178.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 594' ' ' LYS . . . . . 0.678 ' HE2' ' HB2' ' A' ' 388' ' ' SER . 12.4 mptt -79.4 -35.57 40.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.976 -0.556 . . . . 10.0 111.085 179.608 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 91.1 mt -88.46 26.35 1.48 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.0 0.429 . . . . 10.0 111.431 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 . . . . . 0 C--N 1.324 -0.524 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.97 -179.826 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.451 -0.401 0 CA-C-O 121.269 0.557 . . . . 10.0 110.683 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 2' ' ' THR . . . . . 0.45 ' HB ' ' CE2' ' B' ' 4' ' ' TYR . 0.0 OUTLIER -85.98 118.24 25.34 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.277 -179.663 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -85.91 127.83 34.7 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.767 -0.457 . . . . 10.0 109.767 179.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' TYR . . . . . 0.45 ' CE2' ' HB ' ' B' ' 2' ' ' THR . 46.8 m-85 -124.63 119.75 29.9 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 120.725 0.297 . . . . 10.0 110.75 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 50.2 mttm -87.21 110.22 20.02 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.044 -0.525 . . . . 10.0 111.005 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.528 HD11 HD22 ' B' ' 53' ' ' LEU . 0.4 OUTLIER -115.09 127.27 55.5 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.589 -179.115 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . 0.437 HG11 ' CD2' ' B' ' 71' ' ' TYR . 47.7 t -114.45 124.64 71.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.015 0.436 . . . . 10.0 110.721 179.419 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.637 HG12 ' HD2' ' B' ' 16' ' ' LYS . 6.0 t -86.89 110.23 20.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.08 -0.711 . . . . 10.0 109.08 179.034 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 16.1 m -111.63 147.96 15.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.184 0.516 . . . . 10.0 111.769 -178.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 149.87 175.8 22.41 Favored Glycine 0 N--CA 1.446 -0.692 0 CA-C-N 115.57 -0.741 . . . . 10.0 111.477 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.18 178.01 4.11 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.01 0.433 . . . . 10.0 111.138 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -89.8 146.39 24.49 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.416 -0.357 . . . . 10.0 110.689 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 83.72 7.21 86.26 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 121.051 -0.595 . . . . 10.0 113.623 179.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 24.3 m -89.65 -16.85 8.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 112.265 0.468 . . . . 10.0 112.265 -179.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . 0.404 ' HA3' ' ND2' ' B' ' 116' ' ' ASN . . . 110.35 22.16 6.59 Favored Glycine 0 C--N 1.331 0.281 0 C-N-CA 120.534 -0.841 . . . . 10.0 113.34 179.224 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . 0.637 ' HD2' HG12 ' B' ' 8' ' ' VAL . 11.6 mtmm -60.17 -42.54 95.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.221 0.534 . . . . 10.0 111.184 -179.414 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . 0.431 ' O ' HG13 ' B' ' 21' ' ' ILE . 60.9 m -86.21 -33.54 20.73 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.974 -179.368 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.59 -46.34 87.16 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.949 179.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 88.8 mt -63.69 -39.28 93.93 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.198 0.523 . . . . 10.0 110.695 179.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 25.3 m -68.35 -42.05 79.79 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.892 -0.594 . . . . 10.0 111.023 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . 0.431 HG13 ' O ' ' B' ' 17' ' ' SER . 97.8 mt -63.34 -35.65 73.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 109.819 -0.437 . . . . 10.0 109.819 179.397 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' GLN . . . . . 0.446 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 6.7 mm-40 -70.75 -16.85 62.79 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.236 179.374 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -94.4 -39.0 10.69 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.086 0.469 . . . . 10.0 111.267 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 38.5 mm -86.68 -65.62 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.111 -0.495 . . . . 10.0 111.96 -179.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -83.18 -13.83 54.65 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.86 0.362 . . . . 10.0 111.834 -179.027 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . 0.446 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 54.3 m-80 62.54 44.52 6.89 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 113.97 1.1 . . . . 10.0 113.97 178.065 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 5.6 p80 -152.48 159.39 43.34 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 122.246 -0.284 . . . . 10.0 111.058 178.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -114.2 121.07 42.61 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.272 -0.422 . . . . 10.0 111.377 -179.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 6.7 m -95.93 142.97 12.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.124 -0.489 . . . . 10.0 109.795 179.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.13 15.66 14.73 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.011 0.434 . . . . 10.0 110.321 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -104.79 131.47 52.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.464 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -81.9 120.3 25.03 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.952 -0.388 . . . . 10.0 109.952 178.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . 0.492 ' HA ' ' HD3' ' B' ' 34' ' ' PRO . 2.1 t70 -117.31 117.08 36.88 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-O 121.234 0.54 . . . . 10.0 111.163 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' PRO . . . . . 0.492 ' HD3' ' HA ' ' B' ' 33' ' ' ASP . 2.3 Cg_endo -86.44 63.63 4.86 Favored 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 123.239 2.626 . . . . 10.0 111.77 179.437 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.75 118.27 8.07 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 116.167 -0.469 . . . . 10.0 111.122 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.864 ' HA ' ' HB2' ' B' ' 59' ' ' ALA . 42.6 mm -75.12 -49.44 28.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.502 -0.555 . . . . 10.0 109.502 179.082 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -140.15 115.76 10.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.769 -0.65 . . . . 10.0 110.25 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . 0.685 ' HB3' ' HB3' ' B' ' 57' ' ' ASP . 35.0 t0 -140.56 143.6 35.43 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.668 -0.494 . . . . 10.0 109.668 179.52 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 3.0 p -134.18 143.62 48.0 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.739 0.304 . . . . 10.0 111.064 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -138.16 146.96 43.37 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.48 -0.327 . . . . 10.0 111.145 -179.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.472 ' HA ' ' O ' ' B' ' 53' ' ' LEU . 2.2 mpp_? -123.49 139.71 53.74 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.07 179.292 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 54.5 tttp -152.16 133.89 14.75 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 110.307 -0.257 . . . . 10.0 110.307 -179.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.25 107.22 18.08 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.961 -0.385 . . . . 10.0 109.961 179.625 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 2.2 m -123.26 160.67 26.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.396 -0.365 . . . . 10.0 111.632 -179.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 16.5 t -98.15 103.93 15.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.072 -0.513 . . . . 10.0 109.72 179.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 79.8 mt -109.79 118.82 57.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.314 -0.403 . . . . 10.0 110.232 -179.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . 0.46 ' HA ' ' HB2' ' C' ' 128' ' ' LYS . 74.9 m-20 62.98 29.06 16.47 Favored 'General case' 0 C--O 1.234 0.273 0 O-C-N 123.617 0.573 . . . . 10.0 110.805 -179.63 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.52 -3.69 81.28 Favored Glycine 0 N--CA 1.452 -0.295 0 CA-C-N 115.657 -0.701 . . . . 10.0 111.979 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -107.08 116.85 32.65 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 110.26 -0.274 . . . . 10.0 110.26 -178.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.84 125.09 24.25 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.972 -0.381 . . . . 10.0 109.972 179.552 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 39.4 m -130.56 136.99 49.47 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 121.173 0.511 . . . . 10.0 111.88 -179.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 65.0 tp -95.18 113.57 25.27 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.291 -0.868 . . . . 10.0 108.729 178.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . 0.528 HD22 HD11 ' B' ' 6' ' ' LEU . 29.5 mt -84.59 117.93 24.04 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.824 -0.625 . . . . 10.0 112.135 -178.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -103.63 79.43 1.68 Allowed 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 107.332 -1.358 . . . . 10.0 107.332 177.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' ILE . . . . . 0.411 HG12 HD12 ' B' ' 6' ' ' LEU . 0.9 OUTLIER -79.92 148.14 6.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.088 -0.96 . . . . 10.0 111.834 -177.41 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 29.9 tp -135.74 111.5 9.39 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 115.645 -0.707 . . . . 10.0 110.745 179.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . 0.685 ' HB3' ' HB3' ' B' ' 38' ' ' ASP . 21.6 t70 -91.52 119.12 31.19 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.581 -0.896 . . . . 10.0 108.581 179.406 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 23.5 p -116.27 152.66 33.39 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.289 -0.414 . . . . 10.0 111.425 -178.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' ALA . . . . . 0.864 ' HB2' ' HA ' ' B' ' 36' ' ' ILE . . . -66.34 151.96 46.01 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.393 179.344 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -130.88 37.75 2.05 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.427 -0.892 . . . . 10.0 111.997 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . 0.446 HE21 ' HB3' ' B' ' 61' ' ' GLN . 6.2 mt-30 -91.42 12.87 19.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.838 0.351 . . . . 10.0 110.816 -179.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 69.27 172.31 0.3 Allowed 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.501 -0.772 . . . . 10.0 112.089 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 68.8 50.4 0.64 Allowed 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 121.543 0.687 . . . . 10.0 110.195 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' TYR . . . . . 0.492 ' O ' ' HB2' ' B' ' 68' ' ' ARG . 57.0 m-85 -135.29 41.79 2.77 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.516 -0.766 . . . . 10.0 109.391 179.527 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -56.49 -44.78 80.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.66 -0.7 . . . . 10.0 112.653 -178.483 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -77.43 -41.74 38.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.13 0.49 . . . . 10.0 111.883 -179.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 28.0 ttt -64.57 -40.24 95.2 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.874 -0.603 . . . . 10.0 111.821 -179.227 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' ARG . . . . . 0.662 ' HG2' ' HE3' ' B' ' 72' ' ' MET . 0.3 OUTLIER -58.84 -48.19 82.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 10.0 111.663 -179.45 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -55.37 -36.85 66.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.562 -0.745 . . . . 10.0 111.798 -179.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -61.49 -60.59 3.48 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.466 0.543 . . . . 10.0 112.466 -178.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 71' ' ' TYR . . . . . 0.437 ' CD2' HG11 ' B' ' 7' ' ' VAL . 30.1 p90 -71.85 -22.9 61.46 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 113.412 0.893 . . . . 10.0 113.412 -178.725 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . 0.662 ' HE3' ' HG2' ' B' ' 68' ' ' ARG . 34.1 mtt -65.25 -32.43 74.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.081 0.467 . . . . 10.0 110.65 179.097 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . 0.738 ' HG3' HG12 ' B' ' 103' ' ' VAL . 7.6 mtm105 -87.96 1.56 53.81 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.222 -0.444 . . . . 10.0 110.356 179.763 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 9.3 m -108.79 -51.01 2.94 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.617 -179.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.93 147.21 46.05 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 121.129 -0.558 . . . . 10.0 113.608 -179.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -95.48 -48.9 5.65 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.724 -0.473 . . . . 10.0 109.724 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -108.1 132.28 11.03 Favored Glycine 0 N--CA 1.444 -0.774 0 N-CA-C 111.364 -0.694 . . . . 10.0 111.364 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . 0.625 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 82.9 m-85 -110.84 119.88 40.57 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.348 0.594 . . . . 10.0 111.806 -179.48 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 12.6 tp -90.12 104.19 16.78 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.49 -0.777 . . . . 10.0 109.466 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . 0.599 ' HB3' HD12 ' B' ' 93' ' ' ILE . 35.5 m -83.66 95.01 8.24 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.458 -0.337 . . . . 10.0 110.37 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 44.9 t -98.31 123.98 51.15 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 CA-C-O 120.935 0.398 . . . . 10.0 110.769 -179.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 32.2 p90 -127.23 161.82 27.64 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.364 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.741 ' HB3' ' HB3' ' B' ' 86' ' ' ASN . . . -97.32 125.63 42.03 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.194 179.604 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 2.2 pp -64.51 -23.35 33.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 111.774 0.287 . . . . 10.0 111.774 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 27.3 p-10 -100.02 11.24 39.81 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.322 -0.399 . . . . 10.0 111.117 -179.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.741 ' HB3' ' HB3' ' B' ' 83' ' ' ALA . 25.7 t-20 -136.45 95.86 3.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.103 0.478 . . . . 10.0 110.035 179.613 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.97 -30.71 68.13 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.679 -0.691 . . . . 10.0 112.23 -178.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -57.77 -47.7 81.78 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.192 -0.458 . . . . 10.0 111.602 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . 0.471 ' O ' HG12 ' B' ' 93' ' ' ILE . 78.6 p -62.2 -35.81 79.99 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 111.827 0.306 . . . . 10.0 111.827 -179.588 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -66.92 -43.52 83.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.139 0.495 . . . . 10.0 110.535 179.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -69.01 -33.01 72.97 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.064 0.459 . . . . 10.0 110.271 178.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.66 -27.48 68.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.392 -0.822 . . . . 10.0 110.983 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 93' ' ' ILE . . . . . 0.599 HD12 ' HB3' ' B' ' 80' ' ' CYS . 44.7 mm -56.84 -38.77 60.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-N 116.092 -0.504 . . . . 10.0 110.157 178.71 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 57.5 t60 -62.6 -46.08 89.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.976 -0.557 . . . . 10.0 109.845 179.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 24.2 m-70 -68.57 -31.28 70.37 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.035 -0.53 . . . . 10.0 111.529 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 96' ' ' TYR . . . . . 0.5 ' O ' HG13 ' B' ' 100' ' ' ILE . 20.2 m-30 -67.93 -49.22 63.08 Favored 'General case' 0 CA--C 1.521 -0.165 0 N-CA-C 109.37 -0.604 . . . . 10.0 109.37 178.722 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 97' ' ' ARG . . . . . 0.483 ' CZ ' ' HD3' ' B' ' 101' ' ' LYS . 4.3 tmt_? -58.87 -43.37 90.84 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.756 -0.657 . . . . 10.0 111.034 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -62.15 -35.57 79.19 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.941 0.4 . . . . 10.0 110.69 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 99' ' ' GLN . . . . . 0.465 ' O ' HG23 ' B' ' 103' ' ' VAL . 63.2 tt0 -70.54 -44.34 67.68 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.101 -0.499 . . . . 10.0 109.856 179.165 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . 0.5 HG13 ' O ' ' B' ' 96' ' ' TYR . 84.0 mt -56.7 -45.09 82.66 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.746 179.613 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 101' ' ' LYS . . . . . 0.483 ' HD3' ' CZ ' ' B' ' 97' ' ' ARG . 32.4 mtmt -57.67 -40.15 78.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.973 -0.558 . . . . 10.0 111.695 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 15.9 ttm180 -66.95 -45.7 76.97 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.934 -0.576 . . . . 10.0 110.877 -179.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 103' ' ' VAL . . . . . 0.738 HG12 ' HG3' ' B' ' 73' ' ' ARG . 33.3 t -66.93 -49.28 75.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.853 -0.612 . . . . 10.0 112.348 -179.081 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . 0.436 ' HD2' ' HE2' ' B' ' 78' ' ' PHE . 24.2 mtpp -79.37 -11.53 59.92 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.567 -0.288 . . . . 10.0 111.297 -179.21 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 7.8 t70 56.65 51.19 11.44 Favored 'General case' 0 N--CA 1.465 0.31 0 O-C-N 123.638 0.586 . . . . 10.0 111.594 179.396 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 8.9 t -157.15 152.11 25.9 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.948 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 28.1 tp10 -93.45 -14.52 26.62 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.249 0.547 . . . . 10.0 109.795 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -112.5 106.56 15.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.947 -0.569 . . . . 10.0 110.048 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . 0.432 ' HA ' ' HD3' ' B' ' 110' ' ' PRO . 61.9 t -131.77 132.22 23.17 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.404 -0.362 . . . . 10.0 110.325 -179.182 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 110' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 24.7 Cg_exo -64.61 103.59 0.48 Allowed 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.857 2.371 . . . . 10.0 111.829 179.321 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 111' ' ' MET . . . . . 0.625 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 46.6 mtm -134.0 155.91 49.13 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.244 -0.434 . . . . 10.0 110.038 179.774 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 69.4 t -136.2 127.66 43.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.526 -0.546 . . . . 10.0 109.526 179.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 19.2 tp -84.92 111.87 20.06 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.399 -0.593 . . . . 10.0 109.399 179.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 77.2 t -115.86 118.22 58.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.15 -0.477 . . . . 10.0 111.664 -178.279 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -97.45 122.61 7.52 Favored Glycine 0 N--CA 1.444 -0.773 0 N-CA-C 109.451 -1.46 . . . . 10.0 109.451 178.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 116' ' ' ASN . . . . . 0.404 ' ND2' ' HA3' ' B' ' 15' ' ' GLY . 65.0 t30 -105.95 158.56 16.69 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 117.179 0.489 . . . . 10.0 111.613 -178.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 70.4 mttt 68.22 29.04 6.24 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 123.862 0.726 . . . . 10.0 111.489 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 94.3 m -64.98 -9.8 24.35 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 112.832 0.678 . . . . 10.0 112.832 -179.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -94.41 1.43 55.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.936 0.398 . . . . 10.0 111.465 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . 0.475 ' HA ' ' HD3' ' B' ' 121' ' ' PRO . 21.4 mt -85.17 141.56 37.44 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.584 -0.28 . . . . 10.0 110.571 179.298 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 121' ' ' PRO . . . . . 0.475 ' HD3' ' HA ' ' B' ' 120' ' ' LEU . 14.9 Cg_exo -70.29 135.88 30.25 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.906 2.404 . . . . 10.0 112.431 -179.522 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 4.2 m 71.86 93.93 0.08 Allowed 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 113.064 0.764 . . . . 10.0 113.064 179.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -106.04 146.45 30.09 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.924 -0.58 . . . . 10.0 109.781 179.176 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.72 -49.6 8.96 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 120.697 0.284 . . . . 10.0 111.45 -179.516 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 95.7 t -89.31 118.31 34.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 N-CA-C 109.525 -0.546 . . . . 10.0 109.525 179.109 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -74.03 152.32 40.03 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.94 -0.573 . . . . 10.0 109.893 179.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 1.2 m -59.71 -31.25 69.43 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.427 -0.351 . . . . 10.0 111.021 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 128' ' ' LYS . . . . . 0.79 ' HB3' ' HA ' ' C' ' 47' ' ' ASP . 31.9 mtmm -59.85 -59.55 5.24 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.305 -0.407 . . . . 10.0 111.472 179.532 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -64.37 -30.21 71.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.393 -0.367 . . . . 10.0 111.73 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.8 -45.0 88.12 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.939 0.4 . . . . 10.0 110.637 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -74.45 -25.18 59.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.796 179.61 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -64.28 -48.36 76.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.923 -0.581 . . . . 10.0 110.3 178.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 48.5 tp -61.5 -46.27 90.69 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.174 0.512 . . . . 10.0 110.939 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.8 -39.66 92.49 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.537 -0.756 . . . . 10.0 111.172 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 10.9 ttm180 -59.95 -46.78 88.3 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.408 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 22.3 m -69.7 -28.62 65.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.305 -0.407 . . . . 10.0 111.859 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 2.4 m-30 -78.88 -35.47 43.65 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.146 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 97.43 21.65 19.02 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.821 -0.704 . . . . 10.0 111.596 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 36.4 pt -118.06 153.21 51.17 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-O 120.6 0.238 . . . . 10.0 110.468 -179.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -78.13 146.93 23.1 Favored 'Trans proline' 0 CA--C 1.531 0.352 0 C-N-CA 122.404 2.07 . . . . 10.0 112.562 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -114.83 130.73 56.92 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.017 -0.538 . . . . 10.0 109.934 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 142' ' ' ILE . . . . . 0.519 ' CD1' ' HA ' ' B' ' 155' ' ' ALA . 34.9 mt -128.86 133.67 65.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.996 0.427 . . . . 10.0 111.597 -179.439 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -93.04 118.22 30.94 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 107.958 -1.127 . . . . 10.0 107.958 178.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 51.6 p -126.38 178.93 5.55 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 113.318 0.859 . . . . 10.0 113.318 -177.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 13.5 t -163.06 121.62 2.06 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.9 -1.148 . . . . 10.0 107.9 178.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -75.86 -23.74 55.69 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.299 0.571 . . . . 10.0 109.582 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 72.1 tttt -64.97 -52.53 55.78 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.055 -0.975 . . . . 10.0 111.114 179.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -92.58 -7.54 46.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.574 0.226 . . . . 10.0 111.117 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 149' ' ' ARG . . . . . 0.422 ' O ' ' HG3' ' B' ' 149' ' ' ARG . 0.6 OUTLIER 60.69 15.6 5.94 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 113.044 0.757 . . . . 10.0 113.044 -179.791 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -84.44 126.73 33.52 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.544 -179.493 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 92.57 -14.87 63.8 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 120.902 -0.666 . . . . 10.0 112.892 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 152' ' ' VAL . . . . . 0.426 ' O ' ' HD2' ' B' ' 156' ' ' PHE . 67.6 t -57.83 -48.9 82.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.923 0.392 . . . . 10.0 111.353 -179.705 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -63.01 -45.37 92.68 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.401 -0.363 . . . . 10.0 110.443 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -55.87 -43.75 77.43 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.716 -0.674 . . . . 10.0 111.61 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 155' ' ' ALA . . . . . 0.519 ' HA ' ' CD1' ' B' ' 142' ' ' ILE . . . -60.06 -47.35 86.24 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.832 -0.622 . . . . 10.0 111.879 179.744 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 156' ' ' PHE . . . . . 0.426 ' HD2' ' O ' ' B' ' 152' ' ' VAL . 46.4 m-85 -66.26 -39.33 89.39 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.751 -179.543 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -63.71 -46.54 85.0 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.228 0.537 . . . . 10.0 110.286 179.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 158' ' ' THR . . . . . 0.421 ' O ' ' HG2' ' B' ' 162' ' ' GLU . 59.0 m -59.99 -47.28 86.49 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.2 -0.909 . . . . 10.0 113.002 -178.571 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 55.2 tp -57.6 -41.82 81.98 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 111.919 0.34 . . . . 10.0 111.919 -178.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 78.6 t -61.99 -40.12 86.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.19 0.519 . . . . 10.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 161' ' ' ARG . . . . . 0.554 ' HD2' ' HA ' ' C' ' 132' ' ' ASP . 7.1 ttp180 -69.45 -32.52 71.51 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.883 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 162' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' B' ' 158' ' ' THR . 33.2 mm-40 -67.03 -31.95 72.82 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.97 0.414 . . . . 10.0 110.18 178.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 78.6 mt -70.59 -42.91 78.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 108.645 -0.872 . . . . 10.0 108.645 178.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 24.9 ttm180 -63.61 -36.94 85.48 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 108.596 -0.89 . . . . 10.0 108.596 178.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 114.862 -1.063 . . . . 10.0 110.23 178.834 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 C--O 1.234 0.243 0 CA-C-O 120.523 0.202 . . . . 10.0 110.786 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 3.3 m -68.09 121.78 16.86 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 120.784 0.326 . . . . 10.0 110.962 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 3' ' ' GLU . . . . . 0.411 ' HA ' ' HB3' ' C' ' 52' ' ' LEU . 46.1 tt0 -92.25 137.18 32.58 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.827 0.346 . . . . 10.0 111.175 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 4' ' ' TYR . . . . . 0.5 ' CD2' ' HB3' ' C' ' 51' ' ' CYS . 86.7 m-85 -127.28 120.6 29.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.087 179.548 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 5' ' ' LYS . . . . . 0.508 ' HA ' ' HB3' ' C' ' 54' ' ' ASP . 49.9 mttm -88.52 109.09 19.77 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.231 0.539 . . . . 10.0 110.495 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . 0.577 ' O ' ' HA ' ' C' ' 55' ' ' ILE . 11.1 mt -109.67 118.65 37.12 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.239 -0.891 . . . . 10.0 110.503 -179.038 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 17.2 t -104.59 131.53 53.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 110.131 -0.322 . . . . 10.0 110.131 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 3.3 t -92.59 108.32 20.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 109.687 -0.486 . . . . 10.0 109.687 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . 0.471 HG23 ' HA ' ' C' ' 80' ' ' CYS . 15.8 m -106.98 147.45 12.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.569 -179.457 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 150.34 170.23 17.32 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.613 -0.803 . . . . 10.0 111.318 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.19 175.11 6.33 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.17 0.509 . . . . 10.0 110.586 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.03 153.37 21.06 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.037 -0.529 . . . . 10.0 111.071 179.708 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 13' ' ' GLY . . . . . 0.416 ' HA2' ' HE1' ' C' ' 32' ' ' TYR . . . 79.29 4.77 89.15 Favored Glycine 0 N--CA 1.447 -0.595 0 CA-C-N 115.582 -0.735 . . . . 10.0 113.261 179.544 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 17.0 m -86.56 -25.7 6.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 117.117 0.459 . . . . 10.0 111.317 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 113.59 26.52 3.9 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 120.515 -0.85 . . . . 10.0 114.14 178.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . 0.596 ' HE2' ' OD1' ' C' ' 57' ' ' ASP . 1.4 mtmm -62.85 -39.17 93.55 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 121.379 0.609 . . . . 10.0 110.789 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 3.8 m -74.93 -43.94 51.36 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.473 -0.785 . . . . 10.0 110.268 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.43 -44.99 76.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.066 -0.515 . . . . 10.0 111.232 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 94.9 mt -63.29 -52.53 61.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 10.0 111.85 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 3.7 m -63.36 -42.23 98.89 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.191 0.441 . . . . 10.0 112.191 -179.037 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 95.5 mt -64.49 -27.96 43.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.961 0.41 . . . . 10.0 110.765 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 22' ' ' GLN . . . . . 0.596 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 5.4 mm-40 -68.12 -14.74 63.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.135 -0.484 . . . . 10.0 111.618 179.18 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 23.1 tp -107.28 -35.46 6.81 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.89 0.376 . . . . 10.0 110.179 178.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 48.4 mm -75.97 -48.32 29.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.26 -0.427 . . . . 10.0 111.517 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -108.46 -17.24 14.03 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.728 0.299 . . . . 10.0 110.527 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 26' ' ' ASN . . . . . 0.596 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 2.1 t-20 65.52 37.5 6.03 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.806 -0.634 . . . . 10.0 111.279 -179.623 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -137.76 152.72 49.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.705 -0.68 . . . . 10.0 109.853 179.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -96.67 120.69 37.46 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.506 -0.316 . . . . 10.0 111.266 -179.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 29' ' ' VAL . . . . . 0.413 HG22 ' H ' ' C' ' 29' ' ' VAL . 0.2 OUTLIER -78.96 111.79 16.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.026 -0.533 . . . . 10.0 109.821 179.585 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -91.53 -11.52 37.12 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.115 0.483 . . . . 10.0 110.108 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -106.64 119.64 39.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.456 -0.793 . . . . 10.0 109.658 178.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 32' ' ' TYR . . . . . 0.416 ' HE1' ' HA2' ' C' ' 13' ' ' GLY . 40.4 t80 -65.22 135.39 55.36 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.357 0.503 . . . . 10.0 112.357 -178.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -139.45 106.02 7.11 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 115.954 -0.566 . . . . 10.0 109.627 178.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_exo -53.11 124.41 15.55 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 123.179 2.586 . . . . 10.0 112.279 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 3.3 m -98.55 122.11 41.34 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.585 -179.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 47.9 mm -93.54 -49.7 12.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 108.996 -0.742 . . . . 10.0 108.996 178.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -168.15 85.05 0.19 Allowed 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.363 -0.835 . . . . 10.0 109.166 179.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -114.5 123.12 48.61 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.418 -0.355 . . . . 10.0 110.626 -179.282 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 1.5 m -95.63 147.8 23.21 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.992 -179.119 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 40' ' ' TYR . . . . . 0.68 ' HB2' ' HB ' ' C' ' 55' ' ' ILE . 56.4 m-85 -129.01 136.92 50.96 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.493 -0.558 . . . . 10.0 109.493 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -128.11 139.73 52.34 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 121.28 -0.168 . . . . 10.0 110.555 179.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 42.4 tttp -158.2 161.77 37.84 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.413 -0.358 . . . . 10.0 110.272 -179.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -129.86 112.42 13.55 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.576 -0.528 . . . . 10.0 109.576 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 24.4 m -135.5 164.44 32.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.783 0.325 . . . . 10.0 111.105 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 62.4 t -98.53 116.82 42.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.304 179.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 75.0 mt -119.69 120.16 62.56 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 CA-C-N 115.806 -0.633 . . . . 10.0 110.12 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 47' ' ' ASP . . . . . 0.79 ' HA ' ' HB3' ' B' ' 128' ' ' LYS . 41.2 m-20 63.05 16.83 9.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.492 -0.776 . . . . 10.0 111.612 -179.444 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.07 -7.48 52.42 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.898 -0.667 . . . . 10.0 112.551 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -105.46 135.25 47.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.563 0.221 . . . . 10.0 110.666 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 1.7 m -80.61 105.79 12.12 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.997 -1.112 . . . . 10.0 107.997 178.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 51' ' ' CYS . . . . . 0.5 ' HB3' ' CD2' ' C' ' 4' ' ' TYR . 3.1 m -103.76 138.02 40.97 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 112.554 0.576 . . . . 10.0 112.554 -177.44 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 52' ' ' LEU . . . . . 0.411 ' HB3' ' HA ' ' C' ' 3' ' ' GLU . 47.9 tp -91.03 115.9 28.38 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.447 -1.316 . . . . 10.0 107.447 177.451 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 34.0 mt -88.37 120.59 29.89 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 112.724 0.639 . . . . 10.0 112.724 -177.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . 0.508 ' HB3' ' HA ' ' C' ' 5' ' ' LYS . 38.9 t70 -111.16 81.98 1.53 Allowed 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 107.171 -1.418 . . . . 10.0 107.171 177.136 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 55' ' ' ILE . . . . . 0.68 ' HB ' ' HB2' ' C' ' 40' ' ' TYR . 1.1 mp -92.78 154.24 3.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.695 -0.684 . . . . 10.0 111.612 -178.16 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 21.3 tp -151.92 120.07 6.3 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.801 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 57' ' ' ASP . . . . . 0.596 ' OD1' ' HE2' ' C' ' 16' ' ' LYS . 18.6 t0 -96.01 118.64 33.01 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 108.746 -0.835 . . . . 10.0 108.746 178.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 15.7 p -103.24 171.86 7.14 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.175 0.512 . . . . 10.0 112.089 -178.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.86 145.91 49.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.813 -0.63 . . . . 10.0 111.149 -179.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -123.03 29.17 5.42 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.844 -0.694 . . . . 10.0 111.382 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -103.24 19.85 18.84 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.698 0.285 . . . . 10.0 110.685 -179.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 62' ' ' GLU . . . . . 0.471 ' HG3' ' H ' ' C' ' 63' ' ' GLU . 4.7 tp10 61.36 -154.18 0.36 Allowed 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.042 -179.019 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 63' ' ' GLU . . . . . 0.471 ' H ' ' HG3' ' C' ' 62' ' ' GLU . 2.7 tm-20 71.45 -50.03 0.69 Allowed 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 113.154 0.798 . . . . 10.0 113.154 179.555 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 64' ' ' TYR . . . . . 0.637 ' HB3' ' HB3' ' C' ' 67' ' ' MET . 58.3 m-85 -78.23 58.33 2.04 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.406 -0.361 . . . . 10.0 111.941 -179.403 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 1.1 m -68.28 -42.73 79.09 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.492 -0.322 . . . . 10.0 110.883 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.31 -33.28 49.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.947 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 67' ' ' MET . . . . . 0.637 ' HB3' ' HB3' ' C' ' 64' ' ' TYR . 4.3 ttp -68.9 -36.9 78.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.297 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 68' ' ' ARG . . . . . 0.522 ' HA ' ' CD2' ' C' ' 71' ' ' TYR . 12.8 ttp180 -65.1 -31.45 72.67 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.813 -0.63 . . . . 10.0 110.777 179.36 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -58.95 -38.23 78.57 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.569 -0.741 . . . . 10.0 111.06 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -59.17 -48.16 82.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.958 -0.565 . . . . 10.0 111.763 -179.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 71' ' ' TYR . . . . . 0.522 ' CD2' ' HA ' ' C' ' 68' ' ' ARG . 4.6 m-85 -66.71 -29.59 69.62 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.55 -0.295 . . . . 10.0 111.577 -178.483 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 72' ' ' MET . . . . . 0.549 ' HA ' ' CZ ' ' C' ' 78' ' ' PHE . 0.5 OUTLIER -64.41 -35.41 80.82 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.847 0.684 . . . . 10.0 112.847 -178.754 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 73' ' ' ARG . . . . . 0.662 ' HG3' HG12 ' C' ' 103' ' ' VAL . 30.0 mtm180 -78.79 -33.69 46.08 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.553 0.575 . . . . 10.0 112.553 -179.664 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 3.0 m -80.83 -41.97 22.39 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.304 0.483 . . . . 10.0 112.304 -179.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -69.2 148.57 47.72 Favored Glycine 0 CA--C 1.52 0.357 0 C-N-CA 121.075 -0.583 . . . . 10.0 113.638 -178.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -98.88 -56.3 2.47 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.783 -0.451 . . . . 10.0 109.783 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -107.28 139.25 14.89 Favored Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 111.328 -0.709 . . . . 10.0 111.328 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 78' ' ' PHE . . . . . 0.643 ' HB2' ' HG2' ' C' ' 111' ' ' MET . 96.2 m-85 -116.41 119.45 35.7 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.118 0.485 . . . . 10.0 111.828 -179.107 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 79' ' ' LEU . . . . . 0.612 ' HB2' HD22 ' C' ' 159' ' ' LEU . 14.0 tp -94.3 102.8 14.81 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.676 -0.693 . . . . 10.0 110.047 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 80' ' ' CYS . . . . . 0.471 ' HA ' HG23 ' C' ' 9' ' ' VAL . 0.1 OUTLIER -82.58 102.57 11.5 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.244 -179.782 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 61.2 t -105.68 131.17 55.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.041 -0.527 . . . . 10.0 111.203 -179.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 82' ' ' PHE . . . . . 0.403 ' HB2' ' HB2' ' C' ' 89' ' ' SER . 37.7 p90 -139.53 155.68 47.37 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.118 179.05 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 83' ' ' ALA . . . . . 0.449 ' HB1' ' OD1' ' C' ' 85' ' ' ASN . . . -89.61 127.95 35.98 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.353 -0.61 . . . . 10.0 109.353 179.491 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 84' ' ' ILE . . . . . 0.597 HD11 ' HA ' ' C' ' 118' ' ' CYS . 31.3 pt -67.43 -12.07 14.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 112.149 0.426 . . . . 10.0 112.149 -179.403 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 85' ' ' ASN . . . . . 0.449 ' OD1' ' HB1' ' C' ' 83' ' ' ALA . 5.2 p-10 -92.98 -3.85 53.71 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.839 -0.619 . . . . 10.0 110.674 179.426 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -128.44 106.13 8.78 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.116 0.484 . . . . 10.0 111.273 -179.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.98 -26.85 68.47 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.787 -0.642 . . . . 10.0 110.766 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 24.4 tptp -59.92 -46.72 88.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.641 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 89' ' ' SER . . . . . 0.474 ' HA ' ' HB2' ' C' ' 92' ' ' ASP . 0.2 OUTLIER -67.43 -25.36 65.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.469 -0.332 . . . . 10.0 111.689 179.774 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -66.19 -44.13 84.83 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.727 -0.471 . . . . 10.0 109.727 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -73.11 -31.08 64.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.815 -0.63 . . . . 10.0 110.374 178.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 92' ' ' ASP . . . . . 0.474 ' HB2' ' HA ' ' C' ' 89' ' ' SER . 0.3 OUTLIER -56.39 -38.88 72.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.459 -0.792 . . . . 10.0 110.232 179.539 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 93' ' ' ILE . . . . . 0.43 HG12 ' O ' ' C' ' 89' ' ' SER . 42.0 mm -57.13 -39.98 70.31 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 CA-C-N 115.719 -0.673 . . . . 10.0 111.44 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -60.31 -45.3 93.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.081 -0.509 . . . . 10.0 111.014 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 38.9 m-70 -64.0 -38.34 90.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.69 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -64.65 -43.95 92.0 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.286 179.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 29.1 ttt-85 -58.0 -43.05 86.43 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.325 -0.398 . . . . 10.0 111.154 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -63.85 -41.62 97.77 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.936 -0.575 . . . . 10.0 111.807 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 99' ' ' GLN . . . . . 0.475 ' O ' HG23 ' C' ' 103' ' ' VAL . 63.8 tt0 -67.97 -45.09 75.16 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 121.078 -0.249 . . . . 10.0 111.138 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 94.6 mt -54.75 -47.73 73.66 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 CA-C-O 120.671 0.272 . . . . 10.0 111.154 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 17.9 mtmt -64.69 -30.48 71.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.992 0.425 . . . . 10.0 111.671 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 4.3 ttm180 -74.15 -44.46 53.49 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.701 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 103' ' ' VAL . . . . . 0.662 HG12 ' HG3' ' C' ' 73' ' ' ARG . 61.5 t -68.73 -44.45 82.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.926 -0.579 . . . . 10.0 111.901 -178.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -85.58 -10.9 55.22 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.828 0.307 . . . . 10.0 111.828 -179.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 14.8 t70 54.1 53.28 11.32 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.5 0.666 . . . . 10.0 111.487 -179.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 64.4 m -155.84 129.49 8.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.393 -0.821 . . . . 10.0 109.731 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 32.3 tp10 -76.33 -25.44 54.73 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.148 0.499 . . . . 10.0 110.294 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -103.48 97.67 7.69 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.161 -0.472 . . . . 10.0 111.184 -179.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 58.2 t -123.39 125.82 26.02 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 115.767 -0.651 . . . . 10.0 109.824 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_endo -57.78 105.99 0.23 Allowed 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.944 2.429 . . . . 10.0 112.147 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 111' ' ' MET . . . . . 0.643 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 50.6 mtm -138.66 156.15 47.67 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.414 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 112' ' ' VAL . . . . . 0.402 ' HB ' HD12 ' C' ' 79' ' ' LEU . 92.1 t -133.74 128.73 54.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.866 -0.606 . . . . 10.0 109.373 179.587 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 113' ' ' LEU . . . . . 0.407 ' O ' ' HA ' ' C' ' 141' ' ' PHE . 15.0 tp -84.79 118.1 24.25 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.477 -0.564 . . . . 10.0 109.477 179.537 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 82.9 t -121.82 126.6 74.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.232 0.539 . . . . 10.0 111.818 -178.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -103.41 129.08 9.74 Favored Glycine 0 N--CA 1.441 -0.994 0 N-CA-C 109.586 -1.405 . . . . 10.0 109.586 178.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -110.39 165.03 12.11 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 117.084 0.442 . . . . 10.0 111.638 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 95.9 mttt 69.35 34.91 2.76 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.322 -0.854 . . . . 10.0 112.281 179.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 118' ' ' CYS . . . . . 0.597 ' HA ' HD11 ' C' ' 84' ' ' ILE . 64.6 m -71.57 -11.31 60.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 10.0 111.541 179.563 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -76.46 -34.17 58.71 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.119 0.485 . . . . 10.0 109.806 179.065 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 120' ' ' LEU . . . . . 0.47 ' HA ' ' HD3' ' C' ' 121' ' ' PRO . 91.7 mt -67.88 134.72 92.05 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 115.678 -0.692 . . . . 10.0 111.487 -179.333 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 121' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' C' ' 120' ' ' LEU . 8.6 Cg_exo -73.49 172.4 15.78 Favored 'Trans proline' 0 C--O 1.237 0.473 0 C-N-CA 123.423 2.748 . . . . 10.0 111.889 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 5.7 m 59.25 57.06 3.57 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.724 -0.671 . . . . 10.0 111.497 -179.439 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 123' ' ' ARG . . . . . 0.448 HH11 ' HD3' ' C' ' 123' ' ' ARG . 0.0 OUTLIER -68.27 124.76 24.37 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.917 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -78.25 -38.69 42.25 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.142 0.496 . . . . 10.0 110.117 179.461 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 48.0 t -101.29 122.21 53.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.421 179.298 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -86.26 162.1 18.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.838 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 1.5 m -62.93 -42.21 99.73 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.047 -0.524 . . . . 10.0 111.716 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 128' ' ' LYS . . . . . 0.46 ' HB2' ' HA ' ' B' ' 47' ' ' ASP . 11.7 pttp -54.11 -57.87 9.46 Favored 'General case' 0 C--N 1.334 -0.099 0 N-CA-C 113.149 0.796 . . . . 10.0 113.149 -178.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -59.24 -36.68 75.9 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.729 0.64 . . . . 10.0 112.729 -178.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -75.66 -38.5 58.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.063 0.459 . . . . 10.0 111.175 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -71.44 -45.82 61.65 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.117 -0.492 . . . . 10.0 112.015 -179.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 132' ' ' ASP . . . . . 0.554 ' HA ' ' HD2' ' B' ' 161' ' ' ARG . 31.9 t0 -62.94 -33.88 76.29 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.99 0.424 . . . . 10.0 110.444 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 27.1 tp -64.36 -47.48 79.14 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.891 -0.781 . . . . 10.0 108.891 178.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 134' ' ' ALA . . . . . 0.442 ' HB1' HG13 ' C' ' 139' ' ' ILE . . . -64.79 -37.79 88.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.34 -0.845 . . . . 10.0 110.415 178.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 135' ' ' ARG . . . . . 0.487 ' HG3' ' HG2' ' B' ' 161' ' ' ARG . 5.9 tmm_? -62.67 -47.13 85.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.689 -0.687 . . . . 10.0 110.229 179.201 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 21.9 m -61.46 -35.47 77.7 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.77 -0.65 . . . . 10.0 112.003 -179.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 20.5 m-30 -84.8 -32.52 23.3 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 111.994 0.368 . . . . 10.0 111.994 -178.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 104.2 37.83 2.8 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.703 -0.761 . . . . 10.0 113.297 179.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 139' ' ' ILE . . . . . 0.442 HG13 ' HB1' ' C' ' 134' ' ' ALA . 11.9 pt -133.67 157.36 78.12 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 122.565 -0.373 . . . . 10.0 110.5 179.399 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -84.0 152.09 12.67 Favored 'Trans proline' 0 N--CA 1.462 -0.376 0 C-N-CA 122.424 2.083 . . . . 10.0 112.13 179.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 141' ' ' PHE . . . . . 0.407 ' HA ' ' O ' ' C' ' 113' ' ' LEU . 73.7 t80 -124.39 133.79 53.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.143 -0.481 . . . . 10.0 110.099 179.384 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 142' ' ' ILE . . . . . 0.478 HD12 ' HA ' ' C' ' 155' ' ' ALA . 60.1 mt -131.08 126.92 60.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.762 0.315 . . . . 10.0 111.248 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -86.78 123.36 31.84 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.517 -0.92 . . . . 10.0 108.517 178.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 144' ' ' THR . . . . . 0.413 HG23 HG22 ' C' ' 142' ' ' ILE . 26.7 p -138.15 177.57 7.78 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.885 0.85 . . . . 10.0 112.288 -178.613 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.21 122.66 3.32 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.729 -1.123 . . . . 10.0 108.033 178.442 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -64.58 -26.12 68.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.916 0.388 . . . . 10.0 111.096 -179.148 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 5.0 mtpt -61.16 -50.22 74.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.795 -0.639 . . . . 10.0 111.042 179.329 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -86.65 -22.84 25.91 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.204 -179.566 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 65.07 14.21 9.21 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.517 0.675 . . . . 10.0 111.979 -179.307 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -82.92 124.03 29.97 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.374 -0.83 . . . . 10.0 110.861 -179.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 85.01 -13.27 55.14 Favored Glycine 0 C--N 1.33 0.211 0 CA-C-N 116.116 -0.493 . . . . 10.0 113.427 178.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 46.7 t -60.56 -33.91 56.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.042 0.449 . . . . 10.0 110.806 -179.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -66.48 -53.11 38.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.981 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -65.44 -25.83 67.69 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 112.552 0.575 . . . . 10.0 112.552 -178.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 155' ' ' ALA . . . . . 0.478 ' HA ' HD12 ' C' ' 142' ' ' ILE . . . -60.86 -44.72 96.63 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.23 0.538 . . . . 10.0 109.566 178.726 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -75.69 -32.71 60.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.552 179.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 21.7 m-30 -68.4 -43.31 77.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.321 -0.4 . . . . 10.0 110.802 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 92.8 m -65.29 -30.79 71.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 10.0 111.382 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 159' ' ' LEU . . . . . 0.612 HD22 ' HB2' ' C' ' 79' ' ' LEU . 34.5 tp -62.91 -40.28 97.1 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.485 -0.561 . . . . 10.0 109.485 178.659 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 39.6 t -69.33 -36.51 72.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.639 -0.709 . . . . 10.0 109.137 178.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 -60.65 -42.28 96.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.156 -0.929 . . . . 10.0 111.041 179.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -64.05 -38.76 92.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.539 -0.3 . . . . 10.0 110.594 179.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 73.6 mt -63.27 -49.02 84.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 CA-C-N 116.253 -0.43 . . . . 10.0 109.904 179.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 164' ' ' ARG . . . . . 0.687 HH12 ' HB2' ' C' ' 47' ' ' ASP . 18.8 ttm180 -63.69 -31.76 73.04 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.302 179.681 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 25.6 ttmt -66.06 -52.17 51.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.958 -0.565 . . . . 10.0 109.916 178.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 -58.82 -52.11 67.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.744 -0.662 . . . . 10.0 111.434 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 97.2 mttt . . . . . 0 C--N 1.325 -0.471 0 N-CA-C 112.3 0.481 . . . . 10.0 112.3 -179.395 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.936 0.398 . . . . 10.0 111.254 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 78.9 mt -64.74 -44.84 88.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.189 -0.46 . . . . 10.0 111.163 -179.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 29.9 mt -65.74 -36.42 83.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.984 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -66.01 -51.19 60.53 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.867 -0.606 . . . . 10.0 111.08 -179.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 206' ' ' ASN . . . . . 0.411 ' O ' HG23 ' A' ' 210' ' ' VAL . 7.6 m120 -67.32 -34.32 77.1 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.438 -0.346 . . . . 10.0 111.353 179.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 54.0 t90 -60.77 -31.43 70.79 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.808 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -64.82 -41.12 96.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.26 -0.427 . . . . 10.0 109.857 179.299 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 1.3 m -67.18 -34.62 77.91 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.324 0.583 . . . . 10.0 109.996 179.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 210' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 206' ' ' ASN . 84.0 t -68.42 -45.18 82.63 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 N-CA-C 109.172 -0.677 . . . . 10.0 109.172 178.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 41.2 m -64.18 -42.23 96.79 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.684 -0.689 . . . . 10.0 111.758 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 2.0 p -62.47 -36.4 82.37 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.928 -0.397 . . . . 10.0 109.928 178.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 213' ' ' THR . . . . . 0.433 ' O ' ' HG ' ' A' ' 217' ' ' LEU . 47.1 m -65.88 -39.5 90.73 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.873 -0.788 . . . . 10.0 108.873 178.098 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 214' ' ' PHE . . . . . 0.512 ' HA ' HD12 ' A' ' 217' ' ' LEU . 6.1 m-85 -63.62 -38.56 91.6 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.539 178.735 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 215' ' ' SER . . . . . 0.424 ' O ' ' HG3' ' A' ' 219' ' ' GLU . 15.2 m -65.2 -45.54 84.36 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 109.426 -0.583 . . . . 10.0 109.426 178.383 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 39.0 mmtt -61.77 -33.87 74.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.733 -0.667 . . . . 10.0 110.094 179.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 217' ' ' LEU . . . . . 0.512 HD12 ' HA ' ' A' ' 214' ' ' PHE . 66.5 mt -63.39 -43.42 97.62 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.713 -0.676 . . . . 10.0 110.038 179.089 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -66.41 -40.39 89.57 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.445 -0.343 . . . . 10.0 111.102 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 219' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' A' ' 215' ' ' SER . 81.3 mt-10 -65.16 -18.09 65.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.767 -0.651 . . . . 10.0 110.823 179.566 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -98.4 -40.58 8.22 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.122 -0.695 . . . . 10.0 109.122 178.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 33.9 mt -55.87 -37.27 68.57 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.727 -0.67 . . . . 10.0 111.528 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -54.04 -68.89 1.42 Allowed Glycine 0 C--N 1.335 0.477 0 N-CA-C 110.461 -1.056 . . . . 10.0 110.461 178.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -53.09 -39.2 80.7 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.79 2.327 . . . . 10.0 110.804 177.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 24.4 t -57.59 -51.68 66.95 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.247 0 CA-C-N 116.398 -0.364 . . . . 10.0 111.268 179.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 3.2 p -61.77 -29.91 70.45 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.562 -0.455 . . . . 10.0 111.498 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -70.42 -50.09 42.07 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.495 -0.557 . . . . 10.0 109.495 179.189 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -66.26 -38.33 87.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.121 179.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 228' ' ' PHE . . . . . 0.4 ' O ' ' HG ' ' A' ' 232' ' ' LEU . 9.6 t80 -65.33 -45.72 83.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.332 179.436 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -66.28 -33.04 74.83 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 116.301 -0.409 . . . . 10.0 110.436 179.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -62.33 -45.52 92.83 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.424 -0.584 . . . . 10.0 109.424 178.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -67.12 -43.31 82.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.708 -0.678 . . . . 10.0 109.666 178.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 232' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 228' ' ' PHE . 82.5 mt -59.91 -46.12 90.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.715 -0.675 . . . . 10.0 110.693 179.343 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -60.19 -36.02 76.69 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 115.852 -0.613 . . . . 10.0 111.113 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -72.59 -38.34 67.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.101 0.477 . . . . 10.0 109.834 178.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -68.75 -47.85 65.22 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.164 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 13.3 p -65.68 -33.45 75.92 Favored 'General case' 0 CA--C 1.521 -0.144 0 N-CA-C 109.641 -0.503 . . . . 10.0 109.641 179.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 237' ' ' GLU . . . . . 0.551 ' HA ' ' HD2' ' A' ' 240' ' ' ARG . 27.2 tt0 -59.22 -42.85 91.95 Favored 'General case' 0 CA--C 1.52 -0.19 0 N-CA-C 108.727 -0.842 . . . . 10.0 108.727 178.116 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 238' ' ' GLY . . . . . 0.444 ' O ' ' HG3' ' A' ' 242' ' ' GLU . . . -61.95 -44.83 97.27 Favored Glycine 0 N--CA 1.442 -0.965 0 N-CA-C 110.12 -1.192 . . . . 10.0 110.12 178.234 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 96.4 mt -61.38 -37.15 82.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.0 0.428 . . . . 10.0 110.711 179.019 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 240' ' ' ARG . . . . . 0.551 ' HD2' ' HA ' ' A' ' 237' ' ' GLU . 73.8 mtt180 -64.89 -41.86 95.27 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.962 -0.563 . . . . 10.0 109.714 178.667 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -72.7 -43.67 62.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.681 -0.69 . . . . 10.0 109.909 179.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 242' ' ' GLU . . . . . 0.444 ' HG3' ' O ' ' A' ' 238' ' ' GLY . 26.9 mt-10 -67.78 -17.02 64.39 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 116.046 -0.524 . . . . 10.0 110.79 179.185 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 243' ' ' MET . . . . . 0.676 ' HG3' HD12 ' A' ' 247' ' ' LEU . 36.9 ttm -64.76 -29.77 70.75 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.783 -0.821 . . . . 10.0 108.783 178.518 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 11.1 m -80.74 7.62 9.91 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.422 -0.808 . . . . 10.0 110.028 178.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 245' ' ' LYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 249' ' ' GLU . 90.4 mttt -125.1 -60.18 1.36 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.628 -0.715 . . . . 10.0 109.435 179.043 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 246' ' ' ASP . . . . . 0.533 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 0.2 OUTLIER -58.82 -64.06 1.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.768 -0.651 . . . . 10.0 110.741 179.808 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 247' ' ' LEU . . . . . 0.676 HD12 ' HG3' ' A' ' 243' ' ' MET . 34.0 mt -69.96 -27.77 65.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.08 -0.509 . . . . 10.0 112.198 -178.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -73.03 -54.32 8.87 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 120.645 -0.422 . . . . 10.0 111.067 179.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 249' ' ' GLU . . . . . 0.406 ' HB2' ' O ' ' A' ' 245' ' ' LYS . 4.2 mt-10 -65.9 -34.73 78.79 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.8 -0.182 . . . . 10.0 110.986 179.672 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 250' ' ' VAL . . . . . 0.628 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 0.9 OUTLIER -64.59 -28.49 44.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 C-N-CA 120.905 -0.318 . . . . 10.0 111.531 179.894 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 251' ' ' LYS . . . . . 0.527 ' HA ' ' HB ' ' A' ' 254' ' ' VAL . 87.2 mttt -97.18 -29.67 13.45 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.873 0.368 . . . . 10.0 111.319 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -71.26 -37.68 71.91 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.792 -0.818 . . . . 10.0 108.792 178.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -88.48 -14.11 38.66 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.322 -0.854 . . . . 10.0 110.16 178.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 254' ' ' VAL . . . . . 0.628 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.3 OUTLIER -62.79 -31.65 53.04 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.148 0 C-N-CA 121.003 -0.279 . . . . 10.0 110.722 179.685 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 255' ' ' GLN . . . . . 0.465 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 55.8 mt-30 -60.9 -61.81 7.24 Favored Pre-proline 0 N--CA 1.45 -0.427 0 CA-C-N 116.255 -0.43 . . . . 10.0 111.112 179.642 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 256' ' ' PRO . . . . . 0.465 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 37.6 Cg_endo -67.34 -33.17 30.93 Favored 'Trans proline' 0 C--N 1.354 0.844 0 C-N-CA 121.439 1.426 . . . . 10.0 112.156 179.132 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 5.4 m-30 -64.01 -55.36 22.91 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 120.798 0.332 . . . . 10.0 110.86 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 258' ' ' LEU . . . . . 0.436 ' HG ' HG22 ' A' ' 254' ' ' VAL . 43.7 mt -66.2 -40.21 90.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.308 -0.406 . . . . 10.0 110.705 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -59.23 -40.73 86.82 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.476 179.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -63.91 -55.32 23.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.483 179.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -58.23 -43.93 87.99 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.838 -0.619 . . . . 10.0 110.799 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 262' ' ' GLN . . . . . 0.592 ' HG2' HE21 ' A' ' 266' ' ' GLN . 64.1 tt0 -64.42 -41.72 96.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.085 -0.507 . . . . 10.0 111.271 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 263' ' ' LYS . . . . . 0.461 ' HB2' ' HE3' ' A' ' 263' ' ' LYS . 10.7 ttmt -59.82 -47.42 85.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.17 0.51 . . . . 10.0 110.259 179.717 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 264' ' ' LYS . . . . . 0.451 ' O ' ' HG3' ' A' ' 268' ' ' GLU . 77.0 mttt -70.15 -38.46 75.48 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.614 -0.721 . . . . 10.0 110.684 179.681 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 2.1 m95 -60.2 -42.06 94.28 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.363 178.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 266' ' ' GLN . . . . . 0.592 HE21 ' HG2' ' A' ' 262' ' ' GLN . 69.3 mt-30 -59.41 -46.36 88.92 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.012 -0.54 . . . . 10.0 109.833 178.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 267' ' ' GLU . . . . . 0.418 ' O ' ' HG ' ' A' ' 271' ' ' LEU . 17.9 mt-10 -63.01 -43.3 99.16 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.056 179.047 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 268' ' ' GLU . . . . . 0.535 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 28.3 mt-10 -60.27 -44.51 95.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.774 -0.648 . . . . 10.0 110.408 178.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 95.5 mmm -67.12 -37.96 84.77 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.189 -0.459 . . . . 10.0 110.023 179.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -63.12 -49.85 72.79 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 116.036 -0.529 . . . . 10.0 109.641 179.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 271' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 267' ' ' GLU . 93.1 mt -61.72 -39.62 92.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.351 179.563 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 272' ' ' TYR . . . . . 0.546 ' O ' ' HB ' ' A' ' 276' ' ' VAL . 0.6 OUTLIER -62.02 -44.89 95.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.423 179.041 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 273' ' ' ARG . . . . . 0.458 ' O ' HG12 ' A' ' 276' ' ' VAL . 32.4 ttm180 -74.35 -33.34 63.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.204 -0.453 . . . . 10.0 111.24 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -65.61 -44.41 86.61 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.765 -0.457 . . . . 10.0 109.765 179.095 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 275' ' ' LYS . . . . . 0.7 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 8.2 mptt -78.3 -27.13 47.25 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.857 -0.61 . . . . 10.0 111.446 179.284 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 276' ' ' VAL . . . . . 0.546 ' HB ' ' O ' ' A' ' 272' ' ' TYR . 0.3 OUTLIER -59.89 -26.95 37.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 N-CA-C 111.836 0.31 . . . . 10.0 111.836 -179.8 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -64.84 -63.84 3.26 Favored Pre-proline 0 CA--C 1.533 0.298 0 C-N-CA 120.941 -0.304 . . . . 10.0 111.162 178.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -61.11 -35.97 83.76 Favored 'Trans proline' 0 C--N 1.356 0.936 0 C-N-CA 121.642 1.561 . . . . 10.0 111.257 178.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 279' ' ' LEU . . . . . 1.024 HD22 ' HE3' ' D' ' 495' ' ' LYS . 10.9 mt -61.92 -43.62 98.47 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.638 0.256 . . . . 10.0 110.55 179.509 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -66.24 -36.94 84.34 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.669 -0.493 . . . . 10.0 109.669 178.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -64.29 -43.35 95.02 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.866 -0.606 . . . . 10.0 109.705 178.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.66 -43.83 88.17 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.109 0.48 . . . . 10.0 109.946 178.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 17.1 mt -63.54 -39.49 94.55 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.464 179.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -70.02 -48.37 58.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.656 179.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -60.47 -41.94 95.21 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.179 0.514 . . . . 10.0 109.936 179.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -68.62 -49.1 45.95 Favored Glycine 0 N--CA 1.44 -1.049 0 CA-C-N 115.263 -0.88 . . . . 10.0 110.999 178.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -55.08 -48.45 73.52 Favored 'General case' 0 C--O 1.223 -0.292 0 O-C-N 123.515 0.186 . . . . 10.0 110.986 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 12.2 mtt85 -55.89 -50.67 70.02 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 123.381 0.426 . . . . 10.0 111.463 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -66.34 -43.46 86.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.769 0.319 . . . . 10.0 111.084 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 290' ' ' LYS . . . . . 0.437 ' O ' ' HG ' ' A' ' 294' ' ' LEU . 74.4 mttt -61.94 -42.88 99.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.296 -0.411 . . . . 10.0 110.358 179.492 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 291' ' ' LEU . . . . . 0.442 HD23 HD12 ' A' ' 294' ' ' LEU . 82.0 mt -66.75 -35.05 79.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 10.0 109.966 178.474 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 6.9 m170 -62.88 -47.09 84.83 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 108.696 -0.853 . . . . 10.0 108.696 178.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -60.55 -39.81 89.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.05 -0.977 . . . . 10.0 109.115 178.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 294' ' ' LEU . . . . . 0.442 HD12 HD23 ' A' ' 291' ' ' LEU . 64.6 mt -64.7 -44.98 88.52 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 115.696 -0.684 . . . . 10.0 110.782 179.026 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 295' ' ' GLN . . . . . 0.431 ' HA ' ' HB2' ' A' ' 298' ' ' LEU . 79.1 mt-30 -61.71 -40.42 94.99 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 120.834 0.35 . . . . 10.0 111.032 179.631 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -62.97 -13.59 36.86 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.064 -0.516 . . . . 10.0 111.03 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . 0.427 ' HA ' ' HD3' ' A' ' 297' ' ' LYS . 12.3 mmtp -119.18 11.24 12.29 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.114 178.49 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 298' ' ' LEU . . . . . 0.431 ' HB2' ' HA ' ' A' ' 295' ' ' GLN . 12.5 mt -116.6 -37.1 3.76 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.005 -0.543 . . . . 10.0 111.113 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 299' ' ' SER . . . . . 0.484 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 0.8 OUTLIER -73.82 -62.86 1.02 Allowed Pre-proline 0 CA--C 1.539 0.529 0 N-CA-C 111.816 0.302 . . . . 10.0 111.816 179.516 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 300' ' ' PRO . . . . . 0.484 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 34.4 Cg_endo -65.8 -45.08 6.88 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 121.788 1.659 . . . . 10.0 111.575 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 301' ' ' LEU . . . . . 0.586 ' HB3' ' HE2' ' D' ' 473' ' ' LYS . 34.5 mt -68.72 -26.28 65.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.047 179.139 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -70.22 -46.34 50.72 Favored Glycine 0 N--CA 1.446 -0.662 0 N-CA-C 110.157 -1.177 . . . . 10.0 110.157 178.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -66.57 -35.46 80.26 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 109.811 -0.44 . . . . 10.0 109.811 178.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -60.77 -47.44 86.3 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 108.314 -0.995 . . . . 10.0 108.314 177.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 6.3 tpt -62.45 -38.08 88.39 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 115.394 -0.821 . . . . 10.0 109.864 179.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -64.08 -44.19 93.12 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.99 -0.55 . . . . 10.0 111.539 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 307' ' ' ASP . . . . . 0.758 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 12.8 t70 -70.94 -36.71 72.72 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.187 0.517 . . . . 10.0 110.216 179.194 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 308' ' ' ARG . . . . . 0.545 ' HG3' HD11 ' D' ' 469' ' ' LEU . 19.5 mmt180 -67.03 -31.88 72.71 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 108.999 -0.741 . . . . 10.0 108.999 177.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 309' ' ' ALA . . . . . 0.441 ' HA ' ' HB2' ' A' ' 312' ' ' HIS . . . -68.48 -36.77 79.41 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 108.801 -0.814 . . . . 10.0 108.801 177.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 310' ' ' ARG . . . . . 0.758 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 92.2 mtt180 -57.72 -48.16 80.37 Favored 'General case' 0 C--O 1.222 -0.348 0 N-CA-C 108.704 -0.85 . . . . 10.0 108.704 178.044 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -69.35 -42.99 74.53 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.783 -0.644 . . . . 10.0 110.257 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 312' ' ' HIS . . . . . 0.441 ' HB2' ' HA ' ' A' ' 309' ' ' ALA . 0.1 OUTLIER -53.1 -52.98 56.87 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.38 179.184 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 74.7 t -73.06 -44.72 56.07 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.151 0 CA-C-N 115.683 -0.69 . . . . 10.0 111.988 -179.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -59.83 -46.46 89.17 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 121.12 -0.232 . . . . 10.0 111.247 -179.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -60.81 -37.3 81.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.098 0.475 . . . . 10.0 110.187 179.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 14.4 mt -69.43 -46.33 67.05 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.667 -0.697 . . . . 10.0 109.447 178.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 37.7 ttm105 -60.37 -40.71 91.8 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.445 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 56.1 m -59.68 -28.37 67.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.888 178.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 33.5 m80 -92.66 -40.28 10.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.507 179.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 95.1 mt -64.02 -31.91 73.27 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.075 -0.511 . . . . 10.0 111.758 -179.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -56.7 -60.26 9.88 Favored Pre-proline 0 CA--C 1.536 0.406 0 CA-C-N 116.669 -0.242 . . . . 10.0 111.415 179.458 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -67.48 -32.65 31.31 Favored 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 121.513 1.475 . . . . 10.0 110.839 177.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 323' ' ' TYR . . . . . 0.505 ' O ' ' HG ' ' A' ' 327' ' ' LEU . 11.7 m-30 -59.93 -47.76 84.49 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.706 -0.224 . . . . 10.0 111.085 179.36 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 11.0 p -65.59 -34.45 78.27 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.928 0.394 . . . . 10.0 110.721 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -68.92 -42.61 76.59 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 109.235 -0.654 . . . . 10.0 109.235 178.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -69.53 -28.91 66.42 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.289 -0.634 . . . . 10.0 109.289 178.458 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 323' ' ' TYR . 30.4 mt -66.45 -35.85 81.32 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.226 -0.657 . . . . 10.0 109.226 178.095 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -62.82 -37.9 88.58 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 108.752 -0.833 . . . . 10.0 108.752 178.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -67.77 -46.75 71.15 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.627 -0.715 . . . . 10.0 109.312 178.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 330' ' ' ARG . . . . . 0.498 ' NH2' ' HB3' ' D' ' 447' ' ' GLU . 46.4 mtt-85 -58.92 -49.6 77.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.317 -0.856 . . . . 10.0 110.281 179.268 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 90.8 mt -62.04 -38.49 88.94 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.646 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -64.05 -50.69 67.41 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.28 -0.418 . . . . 10.0 110.341 179.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -59.71 -40.01 86.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.682 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 52.8 mtt-85 -69.14 -46.14 68.35 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.378 179.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 335' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 335' ' ' LEU . 27.1 mt -63.84 -36.03 82.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.544 -0.298 . . . . 10.0 111.165 179.618 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -65.1 -40.72 94.98 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.159 0.504 . . . . 10.0 109.689 178.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 337' ' ' ALA . . . . . 0.401 ' O ' ' HB3' ' A' ' 341' ' ' ASN . . . -65.54 -45.74 82.26 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 108.795 -0.817 . . . . 10.0 108.795 178.466 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 338' ' ' LEU . . . . . 0.414 ' O ' ' HA3' ' A' ' 342' ' ' GLY . 97.1 mt -69.42 -10.67 58.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.726 -0.67 . . . . 10.0 111.146 179.38 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 69.8 tttt -92.27 -53.06 4.39 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -66.5 -53.78 31.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.962 -0.563 . . . . 10.0 109.833 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 341' ' ' ASN . . . . . 0.401 ' HB3' ' O ' ' A' ' 337' ' ' ALA . 24.4 t-20 -67.76 -38.39 83.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.771 -0.649 . . . . 10.0 109.682 178.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 342' ' ' GLY . . . . . 0.414 ' HA3' ' O ' ' A' ' 338' ' ' LEU . . . -60.75 -43.53 99.03 Favored Glycine 0 C--N 1.332 0.357 0 CA-C-N 115.778 -0.646 . . . . 10.0 112.01 179.407 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -66.05 -38.4 94.01 Favored Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 111.152 -0.779 . . . . 10.0 111.152 179.224 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -65.36 -40.59 93.75 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.564 -0.532 . . . . 10.0 109.564 178.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 29.2 mtm180 -63.74 -45.49 89.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.648 -0.705 . . . . 10.0 110.336 179.182 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 52.1 mt -60.88 -44.45 97.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.242 -0.436 . . . . 10.0 110.407 179.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.91 -43.4 91.07 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.166 0.508 . . . . 10.0 109.975 178.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -67.15 -46.77 73.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.691 179.094 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -61.02 -39.97 91.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.993 -0.549 . . . . 10.0 111.253 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 10.8 m170 -63.3 -42.14 99.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.973 0.416 . . . . 10.0 109.903 178.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -67.15 -47.56 70.65 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.837 -0.62 . . . . 10.0 110.218 179.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 13.4 mttm -58.79 -47.27 85.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.923 -0.58 . . . . 10.0 109.863 179.173 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.62 -44.2 93.54 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.742 179.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 86.4 m -61.48 -43.83 98.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.068 179.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -64.87 -41.65 95.49 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.22 178.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 36.4 m-70 -63.4 -31.9 73.19 Favored 'General case' 0 CA--C 1.518 -0.255 0 N-CA-C 109.506 -0.553 . . . . 10.0 109.506 178.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 59.0 mt -71.32 -36.32 71.54 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.615 -0.721 . . . . 10.0 110.174 178.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 34.4 m -66.11 -41.12 91.0 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.672 -0.492 . . . . 10.0 109.672 178.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 1.5 m -75.33 -23.09 57.21 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.513 0.673 . . . . 10.0 109.512 178.088 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 50.9 tp -69.33 -28.91 66.66 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 108.421 -0.955 . . . . 10.0 108.421 177.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 20.3 m -64.73 -31.29 72.45 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.573 -0.74 . . . . 10.0 109.239 178.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 362' ' ' GLU . . . . . 0.407 ' C ' ' HD2' ' A' ' 366' ' ' PRO . 7.0 mm-40 -67.44 -15.92 63.94 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 115.65 -0.704 . . . . 10.0 109.797 178.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 363' ' ' LYS . . . . . 0.571 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 82.7 mttt -101.03 -39.99 7.45 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.502 -0.772 . . . . 10.0 109.209 178.102 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -71.35 -30.38 66.11 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.651 -0.704 . . . . 10.0 112.892 -179.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 365' ' ' LYS . . . . . 0.936 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 71.6 mttt -101.96 -71.75 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.526 0 N-CA-C 112.543 0.571 . . . . 10.0 112.543 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 366' ' ' PRO . . . . . 0.936 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 34.6 Cg_exo -61.07 -58.34 0.47 Allowed 'Trans proline' 0 C--N 1.356 0.947 0 C-N-CA 122.391 2.06 . . . . 10.0 112.899 -179.465 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 367' ' ' ALA . . . . . 0.571 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -57.57 -53.91 52.83 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.551 0.574 . . . . 10.0 112.551 -179.217 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 368' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 363' ' ' LYS . 20.4 mt -58.42 -37.28 75.05 Favored 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 112.217 0.451 . . . . 10.0 112.217 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -68.46 -47.31 67.46 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 109.71 -0.478 . . . . 10.0 109.71 179.226 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -58.1 -39.52 78.81 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 109.534 -0.543 . . . . 10.0 109.534 179.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 371' ' ' LEU . . . . . 0.417 HD12 HD23 ' A' ' 368' ' ' LEU . 73.5 mt -64.5 -45.39 87.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.492 -0.776 . . . . 10.0 110.011 178.571 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 372' ' ' ARG . . . . . 0.473 ' O ' ' HG ' ' A' ' 376' ' ' LEU . 96.6 mtt180 -65.48 -40.74 93.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.874 0.369 . . . . 10.0 110.653 179.551 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -65.42 -42.47 92.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.005 178.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -68.59 -33.46 76.49 Favored Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.793 -0.639 . . . . 10.0 111.615 179.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 32.3 mt -71.62 -21.83 61.78 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.808 0.299 . . . . 10.0 111.808 179.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 376' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 372' ' ' ARG . 61.7 mt -55.77 -60.8 7.61 Favored Pre-proline 0 CA--C 1.536 0.418 0 N-CA-C 112.291 0.478 . . . . 10.0 112.291 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -65.32 -31.75 52.09 Favored 'Trans proline' 0 C--N 1.356 0.936 0 C-N-CA 121.751 1.634 . . . . 10.0 111.377 179.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 74.7 t -64.08 -53.94 37.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.295 179.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 95.3 mt -59.89 -41.28 91.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.386 -0.37 . . . . 10.0 110.634 179.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 -63.8 -45.48 89.47 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 116.276 -0.42 . . . . 10.0 110.916 179.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 78.7 p -67.35 -34.11 76.62 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-O 121.222 0.534 . . . . 10.0 110.231 178.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -64.81 -34.41 78.29 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.892 -0.594 . . . . 10.0 110.032 179.05 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -62.47 -46.57 87.9 Favored 'General case' 0 C--O 1.225 -0.185 0 N-CA-C 109.117 -0.697 . . . . 10.0 109.117 178.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 24.4 t -61.66 -42.38 94.0 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 CA-C-N 115.624 -0.716 . . . . 10.0 109.391 179.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 15.3 m -64.2 -47.31 80.22 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.743 -0.662 . . . . 10.0 110.573 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 386' ' ' PHE . . . . . 0.422 ' O ' ' HG ' ' A' ' 390' ' ' LEU . 2.5 m-85 -62.99 -47.06 84.77 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.115 179.69 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 46.6 mt -58.62 -52.46 65.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.043 -0.526 . . . . 10.0 111.732 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 388' ' ' SER . . . . . 0.632 ' HB2' ' HE2' ' D' ' 594' ' ' LYS . 11.2 p -61.3 -38.03 85.37 Favored 'General case' 0 C--N 1.33 -0.269 0 O-C-N 123.202 0.314 . . . . 10.0 110.951 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -66.34 -41.23 89.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.013 0.435 . . . . 10.0 110.661 179.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 390' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 386' ' ' PHE . 77.3 mt -62.83 -41.88 99.51 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.954 -0.566 . . . . 10.0 109.869 179.362 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 391' ' ' GLU . . . . . 0.435 ' O ' ' HB2' ' A' ' 395' ' ' LYS . 15.4 mt-10 -63.33 -33.76 76.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.589 -0.732 . . . . 10.0 110.717 179.432 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 392' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' A' ' 388' ' ' SER . 57.1 mm-40 -64.03 -37.82 88.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.011 0.434 . . . . 10.0 110.381 179.134 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -69.13 -43.15 74.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.862 -0.608 . . . . 10.0 109.897 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 394' ' ' THR . . . . . 0.42 ' O ' ' HB3' ' A' ' 398' ' ' ASN . 1.0 OUTLIER -71.44 -13.71 61.92 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.993 0.425 . . . . 10.0 110.484 179.354 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 395' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 391' ' ' GLU . 8.7 ttmt -88.67 -54.01 4.36 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 112.683 0.623 . . . . 10.0 112.683 -179.002 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 2.7 mptt -97.22 -19.27 18.71 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 113.932 1.086 . . . . 10.0 113.932 -177.458 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 38.4 mt -105.44 26.29 9.65 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.094 0.473 . . . . 10.0 111.403 -179.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 398' ' ' ASN . . . . . 0.42 ' HB3' ' O ' ' A' ' 394' ' ' THR . 41.0 t30 . . . . . 0 C--N 1.325 -0.497 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.15 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--O 1.231 0.106 0 CA-C-O 121.097 0.475 . . . . 10.0 110.77 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -90.9 21.85 3.94 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.874 -179.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 28.6 mt -64.9 -51.5 61.61 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.598 -0.728 . . . . 10.0 110.975 -179.191 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 69.9 mt -62.26 -34.98 77.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.75 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -64.16 -46.29 84.71 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.856 -0.611 . . . . 10.0 110.489 179.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 404' ' ' ASN . . . . . 0.439 ' O ' HG23 ' D' ' 408' ' ' VAL . 13.2 t30 -70.45 -32.22 69.71 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.187 179.415 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 1.1 m95 -58.67 -37.36 75.84 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.868 -0.606 . . . . 10.0 110.43 179.266 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -65.02 -41.26 95.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.906 -0.588 . . . . 10.0 109.78 178.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.44 -34.49 76.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.414 0.626 . . . . 10.0 109.642 178.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 408' ' ' VAL . . . . . 0.439 HG23 ' O ' ' D' ' 404' ' ' ASN . 66.5 t -73.27 -35.7 47.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.697 -0.683 . . . . 10.0 109.307 178.411 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 32.8 m -68.31 -42.14 79.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.689 -0.687 . . . . 10.0 110.227 179.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 17.8 m -60.31 -44.87 95.04 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 116.444 -0.344 . . . . 10.0 110.492 179.285 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 411' ' ' THR . . . . . 0.497 ' O ' ' HG ' ' D' ' 415' ' ' LEU . 0.9 OUTLIER -66.18 -38.88 89.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 10.0 110.732 179.752 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -64.88 -41.97 95.2 Favored 'General case' 0 CA--C 1.52 -0.174 0 N-CA-C 109.891 -0.411 . . . . 10.0 109.891 178.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 19.7 m -62.65 -41.72 99.2 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.838 -0.619 . . . . 10.0 109.657 178.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 414' ' ' LYS . . . . . 0.491 ' HD3' ' HA ' ' D' ' 414' ' ' LYS . 50.6 mmtt -66.17 -30.22 70.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.15 178.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 415' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' D' ' 411' ' ' THR . 65.8 mt -67.91 -39.24 83.61 Favored 'General case' 0 CA--C 1.519 -0.245 0 N-CA-C 109.216 -0.661 . . . . 10.0 109.216 178.294 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 65.5 mtt180 -66.27 -36.05 81.98 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.408 -0.589 . . . . 10.0 109.408 178.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -67.23 -21.96 65.72 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.647 178.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -90.53 -55.55 3.54 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.046 -0.724 . . . . 10.0 109.046 178.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 78.6 mt -48.57 -45.22 37.53 Favored 'General case' 0 C--O 1.228 -0.073 0 CA-C-N 115.433 -0.803 . . . . 10.0 112.585 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -53.03 -76.93 0.16 Allowed Glycine 0 C--N 1.333 0.396 0 C-N-CA 121.307 -0.473 . . . . 10.0 112.903 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 421' ' ' PRO . . . . . 0.405 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 50.0 Cg_exo -55.97 -38.2 95.01 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.838 2.359 . . . . 10.0 112.515 179.464 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 16.4 t -60.33 -47.26 93.08 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.252 0 N-CA-C 111.715 0.265 . . . . 10.0 111.715 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 24.8 p -67.04 -30.49 70.58 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 120.819 -0.352 . . . . 10.0 110.483 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -63.41 -50.1 71.15 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.115 -0.493 . . . . 10.0 109.714 179.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 425' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 10.8 pt-20 -76.22 -28.51 57.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 10.0 110.904 179.151 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 426' ' ' PHE . . . . . 0.448 ' O ' ' HG ' ' D' ' 430' ' ' LEU . 52.2 t80 -64.44 -39.09 93.17 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 109.3 -0.629 . . . . 10.0 109.3 178.453 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 5.0 m95 -66.91 -36.77 83.01 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 109.516 -0.549 . . . . 10.0 109.516 178.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 428' ' ' ASP . . . . . 0.486 ' O ' ' HG3' ' D' ' 432' ' ' LYS . 32.5 t70 -67.99 -30.89 70.26 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 108.867 -0.79 . . . . 10.0 108.867 178.163 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.53 -41.62 65.66 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.584 -0.895 . . . . 10.0 108.584 177.256 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 430' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' D' ' 426' ' ' PHE . 92.8 mt -60.62 -40.09 90.6 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.538 -0.755 . . . . 10.0 109.7 178.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -62.23 -31.85 72.44 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.279 0.561 . . . . 10.0 110.151 178.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 432' ' ' LYS . . . . . 0.486 ' HG3' ' O ' ' D' ' 428' ' ' ASP . 53.6 mttp -71.94 -43.24 65.56 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.643 -0.873 . . . . 10.0 108.643 178.365 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -65.42 -45.79 82.52 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.289 -0.869 . . . . 10.0 111.454 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 5.1 p -60.78 -50.16 74.56 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-O 120.619 0.247 . . . . 10.0 110.556 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 435' ' ' GLU . . . . . 0.477 ' O ' ' HG3' ' D' ' 439' ' ' GLN . 8.0 mm-40 -63.84 -46.3 85.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.642 179.585 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -58.78 -47.99 87.5 Favored Glycine 0 N--CA 1.452 -0.266 0 N-CA-C 111.235 -0.746 . . . . 10.0 111.235 179.126 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 61.4 mt -64.17 -32.74 74.43 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 110.051 -0.351 . . . . 10.0 110.051 178.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 63.4 mtt180 -64.78 -33.83 76.91 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-N 116.537 -0.302 . . . . 10.0 110.626 178.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 439' ' ' GLN . . . . . 0.477 ' HG3' ' O ' ' D' ' 435' ' ' GLU . 81.8 mt-30 -67.03 -44.06 81.19 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.728 -0.842 . . . . 10.0 108.728 178.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 440' ' ' GLU . . . . . 0.532 ' O ' ' HB2' ' D' ' 444' ' ' ASP . 39.1 mt-10 -68.43 -41.3 80.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.605 -0.725 . . . . 10.0 110.031 179.168 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 88.4 mmm -67.61 -40.52 84.7 Favored 'General case' 0 C--O 1.225 -0.204 0 N-CA-C 113.095 0.776 . . . . 10.0 113.095 -179.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 2.5 p -60.51 -52.44 65.17 Favored 'General case' 0 CA--C 1.518 -0.271 0 C-N-CA 120.901 -0.32 . . . . 10.0 110.166 179.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -61.57 -36.76 81.54 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.523 -0.547 . . . . 10.0 109.523 179.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 444' ' ' ASP . . . . . 0.603 ' O ' ' HB ' ' D' ' 448' ' ' VAL . 2.1 t70 -66.13 -58.73 4.79 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.802 -0.635 . . . . 10.0 111.835 -179.264 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 92.0 mt -63.23 -46.0 88.99 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.804 0.668 . . . . 10.0 112.804 -178.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -61.74 -48.22 81.66 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.85 0.357 . . . . 10.0 110.953 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 447' ' ' GLU . . . . . 0.498 ' HB3' ' NH2' ' A' ' 330' ' ' ARG . 7.5 tt0 -73.42 -22.89 60.11 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.43 -0.35 . . . . 10.0 110.695 179.649 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 448' ' ' VAL . . . . . 0.603 ' HB ' ' O ' ' D' ' 444' ' ' ASP . 0.5 OUTLIER -64.56 -33.72 64.9 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.141 0 CA-C-N 116.46 -0.336 . . . . 10.0 110.714 179.711 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -64.37 -39.1 93.21 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.256 -1.016 . . . . 10.0 108.256 178.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -83.08 8.19 13.65 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.406 -0.815 . . . . 10.0 110.458 179.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 451' ' ' LYS . . . . . 0.489 ' O ' ' HB2' ' D' ' 455' ' ' TYR . 31.1 mmtm -114.27 -54.31 2.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.042 179.368 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 61.3 t -63.56 -38.69 82.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.914 -0.585 . . . . 10.0 111.69 -179.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -59.5 -60.5 10.39 Favored Pre-proline 0 C--N 1.329 -0.302 0 N-CA-C 112.306 0.484 . . . . 10.0 112.306 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -64.39 -32.54 60.46 Favored 'Trans proline' 0 C--N 1.357 1.0 0 C-N-CA 121.72 1.613 . . . . 10.0 111.774 178.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 455' ' ' TYR . . . . . 0.489 ' HB2' ' O ' ' D' ' 451' ' ' LYS . 18.1 t80 -63.0 -50.19 71.73 Favored 'General case' 0 C--N 1.333 -0.132 0 N-CA-C 109.802 -0.444 . . . . 10.0 109.802 179.191 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 456' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' D' ' 456' ' ' LEU . 24.8 mt -70.39 -27.97 64.72 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.763 179.599 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -66.26 -53.26 38.97 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.992 0.425 . . . . 10.0 109.998 178.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 458' ' ' ASP . . . . . 0.417 ' HA ' ' HD2' ' D' ' 461' ' ' LYS . 22.5 t70 -66.91 -35.75 80.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.877 -0.601 . . . . 10.0 109.578 178.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 459' ' ' PHE . . . . . 0.456 ' HB2' ' O ' ' D' ' 455' ' ' TYR . 0.5 OUTLIER -66.79 -37.54 84.77 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 116.08 -0.509 . . . . 10.0 109.656 178.354 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D ' 460' ' ' GLN . . . . . 0.426 ' HA ' ' CE3' ' D' ' 463' ' ' TRP . 46.2 tt0 -63.37 -42.99 98.88 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.847 -0.797 . . . . 10.0 108.847 178.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 461' ' ' LYS . . . . . 0.417 ' HD2' ' HA ' ' D' ' 458' ' ' ASP . 68.2 mttt -62.41 -38.17 88.65 Favored 'General case' 0 CA--C 1.52 -0.201 0 N-CA-C 109.169 -0.678 . . . . 10.0 109.169 178.487 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 462' ' ' LYS . . . . . 0.41 ' HE2' ' HB2' ' D' ' 462' ' ' LYS . 0.2 OUTLIER -67.08 -41.4 86.41 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.489 -0.778 . . . . 10.0 109.632 178.628 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D ' 463' ' ' TRP . . . . . 0.426 ' CE3' ' HA ' ' D' ' 460' ' ' GLN . 32.0 m0 -65.31 -37.71 87.96 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.331 -0.618 . . . . 10.0 109.331 178.257 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -64.11 -47.61 79.34 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 108.599 -0.889 . . . . 10.0 108.599 178.193 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 465' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -55.39 -49.26 72.81 Favored 'General case' 0 C--O 1.224 -0.245 0 N-CA-C 109.615 -0.513 . . . . 10.0 109.615 178.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -60.44 -50.32 74.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.462 -0.79 . . . . 10.0 111.07 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 42.9 ttm -60.45 -50.02 75.25 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.88 0.371 . . . . 10.0 111.3 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -63.86 -35.08 79.45 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.178 -0.465 . . . . 10.0 110.597 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 469' ' ' LEU . . . . . 0.545 HD11 ' HG3' ' A' ' 308' ' ' ARG . 16.5 mt -67.73 -36.63 80.94 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 109.711 -0.478 . . . . 10.0 109.711 178.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -66.21 -24.66 66.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.954 0.407 . . . . 10.0 110.47 179.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -82.09 -8.53 59.66 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.049 0.452 . . . . 10.0 110.077 178.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -114.98 -2.41 12.84 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.604 -0.726 . . . . 10.0 109.423 178.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 473' ' ' LYS . . . . . 0.586 ' HE2' ' HB3' ' A' ' 301' ' ' LEU . 19.4 mttt -126.04 -64.65 1.03 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.703 -0.68 . . . . 10.0 110.781 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 82.1 t -62.48 -39.21 83.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.515 -0.312 . . . . 10.0 110.979 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -56.45 -60.68 8.43 Favored Pre-proline 0 CA--C 1.536 0.434 0 CA-C-N 116.705 -0.225 . . . . 10.0 111.183 178.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -63.4 -34.6 65.47 Favored 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 121.432 1.421 . . . . 10.0 110.855 178.131 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 477' ' ' LEU . . . . . 0.438 HD23 ' HA ' ' D' ' 477' ' ' LEU . 16.6 mt -64.1 -33.77 76.51 Favored 'General case' 0 C--O 1.223 -0.317 0 C-N-CA 121.054 -0.258 . . . . 10.0 110.808 179.186 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 60.2 mtt-85 -66.1 -34.74 78.75 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.046 -0.724 . . . . 10.0 109.046 178.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -73.0 -41.72 63.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.524 -0.762 . . . . 10.0 109.027 178.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.82 -42.43 94.99 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.053 -0.521 . . . . 10.0 109.763 178.592 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 23.8 mt -65.72 -41.85 91.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.828 -0.624 . . . . 10.0 109.564 178.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -63.8 -44.89 91.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.374 -0.375 . . . . 10.0 110.018 179.056 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -63.11 -42.51 99.58 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.5 -0.556 . . . . 10.0 109.5 179.293 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -65.37 -42.59 95.93 Favored Glycine 0 N--CA 1.449 -0.493 0 N-CA-C 110.843 -0.903 . . . . 10.0 110.843 178.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -64.0 -37.85 88.92 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 109.934 -0.395 . . . . 10.0 109.934 178.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 89.2 mtt180 -60.95 -48.29 82.49 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 109.539 -0.541 . . . . 10.0 109.539 178.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 487' ' ' GLN . . . . . 0.42 ' HA ' ' OE1' ' D' ' 487' ' ' GLN . 15.7 mm-40 -64.21 -42.75 96.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.624 179.505 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 69.8 tttt -65.22 -37.05 86.07 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.975 -0.38 . . . . 10.0 109.975 179.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 489' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' D' ' 489' ' ' LEU . 18.6 mt -65.85 -40.33 91.6 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.137 -0.69 . . . . 10.0 109.137 178.174 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -64.11 -41.67 97.16 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.252 -1.018 . . . . 10.0 108.252 178.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -60.35 -46.76 88.78 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.879 -0.785 . . . . 10.0 108.879 177.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 93.8 mt -64.42 -40.32 95.55 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-N 115.661 -0.699 . . . . 10.0 111.046 179.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -62.09 -36.39 81.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.382 0.61 . . . . 10.0 110.567 179.197 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -87.96 11.24 16.38 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.955 -0.566 . . . . 10.0 111.012 179.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 495' ' ' LYS . . . . . 1.024 ' HE3' HD22 ' A' ' 279' ' ' LEU . 53.7 mttp -124.11 -55.91 1.66 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.231 -0.441 . . . . 10.0 110.465 179.281 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 496' ' ' LEU . . . . . 0.522 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 80.9 mt -62.87 -19.54 64.25 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.489 0.552 . . . . 10.0 112.489 -179.231 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 497' ' ' SER . . . . . 0.518 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 3.4 m -85.97 -65.55 0.2 Allowed Pre-proline 0 C--N 1.324 -0.531 0 C-N-CA 120.789 -0.364 . . . . 10.0 111.303 178.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 498' ' ' PRO . . . . . 0.518 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 29.4 Cg_endo -63.67 -48.35 5.74 Favored 'Trans proline' 0 C--N 1.356 0.974 0 C-N-CA 121.606 1.537 . . . . 10.0 111.952 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 499' ' ' LEU . . . . . 0.66 HD21 ' HG2' ' A' ' 275' ' ' LYS . 77.0 mt -73.32 -32.3 64.5 Favored 'General case' 0 CA--C 1.522 -0.107 0 CA-C-O 120.772 0.32 . . . . 10.0 110.19 179.764 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 500' ' ' GLY . . . . . 0.522 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -65.62 -49.53 59.48 Favored Glycine 0 N--CA 1.449 -0.486 0 N-CA-C 110.634 -0.986 . . . . 10.0 110.634 179.192 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -63.86 -34.61 78.33 Favored 'General case' 0 CA--C 1.519 -0.235 0 N-CA-C 109.2 -0.667 . . . . 10.0 109.2 178.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 502' ' ' GLU . . . . . 0.498 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 28.6 tt0 -64.2 -43.19 95.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.521 -0.763 . . . . 10.0 109.163 178.538 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 503' ' ' MET . . . . . 0.828 ' HA ' ' HD2' ' D' ' 506' ' ' ARG . 86.0 mmm -61.93 -42.07 98.68 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 109.633 -0.506 . . . . 10.0 109.633 179.053 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 504' ' ' ARG . . . . . 0.482 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 87.3 mtt180 -64.23 -38.77 92.24 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.514 -0.767 . . . . 10.0 109.382 178.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 505' ' ' ASP . . . . . 0.699 ' HA ' ' HD2' ' D' ' 508' ' ' ARG . 13.6 t70 -68.05 -36.25 79.57 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.016 0.436 . . . . 10.0 110.378 179.201 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 506' ' ' ARG . . . . . 0.828 ' HD2' ' HA ' ' D' ' 503' ' ' MET . 37.9 mtt180 -63.55 -43.82 95.97 Favored 'General case' 0 CA--C 1.52 -0.203 0 N-CA-C 107.477 -1.305 . . . . 10.0 107.477 177.387 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -63.06 -35.24 79.6 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 114.933 -1.03 . . . . 10.0 110.003 178.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 508' ' ' ARG . . . . . 0.699 ' HD2' ' HA ' ' D' ' 505' ' ' ASP . 72.8 mtt180 -61.8 -33.56 74.34 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.828 -0.434 . . . . 10.0 109.828 178.626 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 509' ' ' ALA . . . . . 0.446 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -79.73 -35.38 38.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.436 179.402 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 510' ' ' HIS . . . . . 0.468 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 52.0 m-70 -73.25 -49.41 27.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.223 -0.444 . . . . 10.0 111.263 179.602 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 511' ' ' VAL . . . . . 0.408 ' O ' ' HG3' ' D' ' 515' ' ' ARG . 96.2 t -63.1 -40.45 89.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.413 -0.358 . . . . 10.0 110.036 179.628 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 512' ' ' ASP . . . . . 0.457 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 31.1 t70 -65.1 -34.09 77.57 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 121.037 0.446 . . . . 10.0 109.845 178.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -65.87 -42.58 90.17 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 108.669 -0.863 . . . . 10.0 108.669 178.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 514' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' D' ' 510' ' ' HIS . 89.3 mt -57.83 -32.76 67.92 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.077 -0.511 . . . . 10.0 110.476 179.095 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 515' ' ' ARG . . . . . 0.457 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 68.0 mtt180 -67.66 -20.62 65.33 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.22 179.243 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -112.1 -1.7 15.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.362 0.601 . . . . 10.0 110.078 179.429 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 517' ' ' HIS . . . . . 0.457 ' O ' ' HB2' ' D' ' 521' ' ' TYR . 25.5 m170 -110.81 -72.27 0.73 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.037 -0.529 . . . . 10.0 111.491 -179.405 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 61.4 mt -70.95 -42.32 69.96 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.969 0.729 . . . . 10.0 112.969 -178.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 519' ' ' ALA . . . . . 0.66 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -56.66 -57.1 25.88 Favored Pre-proline 0 C--O 1.238 0.462 0 N-CA-C 112.449 0.537 . . . . 10.0 112.449 -179.771 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 520' ' ' PRO . . . . . 0.66 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 27.4 Cg_exo -65.8 -31.09 49.05 Favored 'Trans proline' 0 C--N 1.355 0.871 0 C-N-CA 121.953 1.769 . . . . 10.0 111.418 179.084 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 521' ' ' TYR . . . . . 0.478 ' HA ' ' OE1' ' D' ' 524' ' ' GLU . 18.1 t80 -68.48 -35.46 77.57 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 116.227 -0.442 . . . . 10.0 109.94 179.513 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 522' ' ' SER . . . . . 0.486 ' O ' ' HG3' ' D' ' 526' ' ' ARG . 71.0 m -63.89 -34.12 77.23 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 109.722 -0.473 . . . . 10.0 109.722 178.495 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 523' ' ' ASP . . . . . 0.612 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 10.1 t70 -68.48 -38.74 81.29 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 115.954 -0.566 . . . . 10.0 109.582 178.504 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 524' ' ' GLU . . . . . 0.478 ' OE1' ' HA ' ' D' ' 521' ' ' TYR . 9.8 mt-10 -68.54 -34.28 75.58 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.833 -0.803 . . . . 10.0 108.833 178.018 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 525' ' ' LEU . . . . . 0.568 HD23 ' HD2' ' D' ' 528' ' ' ARG . 25.3 mt -69.0 -34.01 74.58 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 115.442 -0.799 . . . . 10.0 109.837 177.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 526' ' ' ARG . . . . . 0.612 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 85.0 mtt180 -59.94 -38.01 81.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.081 0.467 . . . . 10.0 109.843 178.629 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -69.77 -37.74 76.49 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.257 -0.646 . . . . 10.0 109.257 178.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 528' ' ' ARG . . . . . 0.568 ' HD2' HD23 ' D' ' 525' ' ' LEU . 74.5 mtt180 -68.65 -42.04 78.5 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.616 -0.72 . . . . 10.0 109.465 178.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 529' ' ' LEU . . . . . 0.438 ' O ' ' HG ' ' D' ' 533' ' ' LEU . 81.6 mt -66.62 -32.61 74.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.89 -0.596 . . . . 10.0 109.975 178.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -64.11 -43.7 94.5 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.536 -0.542 . . . . 10.0 109.536 178.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -69.57 -38.07 77.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.501 -0.772 . . . . 10.0 109.168 178.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 532' ' ' ARG . . . . . 0.493 ' O ' ' HG ' ' D' ' 536' ' ' LEU . 4.2 ttm180 -61.45 -52.7 63.47 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.057 -0.974 . . . . 10.0 109.828 178.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 533' ' ' LEU . . . . . 0.454 HD23 HD12 ' D' ' 536' ' ' LEU . 97.4 mt -64.06 -32.13 73.58 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 115.793 -0.639 . . . . 10.0 110.283 179.596 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -62.03 -47.69 83.63 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 108.981 -0.748 . . . . 10.0 108.981 178.277 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -63.98 -43.31 96.13 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.469 -0.787 . . . . 10.0 109.324 178.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 536' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' D' ' 532' ' ' ARG . 89.7 mt -63.15 -28.13 69.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.853 179.262 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -79.87 -46.5 16.71 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 110.252 -0.277 . . . . 10.0 110.252 178.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.36 -50.99 67.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.051 179.357 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -70.36 -32.48 70.19 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 109.198 -0.668 . . . . 10.0 109.198 178.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 540' ' ' GLY . . . . . 0.427 ' O ' ' HG ' ' D' ' 544' ' ' LEU . . . -64.7 -44.73 94.48 Favored Glycine 0 CA--C 1.51 -0.275 0 N-CA-C 110.85 -0.9 . . . . 10.0 110.85 179.219 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -62.53 -37.06 94.08 Favored Glycine 0 N--CA 1.448 -0.557 0 N-CA-C 110.608 -0.997 . . . . 10.0 110.608 178.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -67.13 -48.36 68.33 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 108.555 -0.906 . . . . 10.0 108.555 178.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 543' ' ' ARG . . . . . 0.446 HH11 ' HD2' ' D' ' 543' ' ' ARG . 30.5 mtt180 -56.4 -45.97 80.36 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.704 -0.68 . . . . 10.0 110.512 179.204 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 544' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' D' ' 540' ' ' GLY . 48.2 mt -58.56 -40.99 84.64 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.592 0.234 . . . . 10.0 110.846 179.709 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -68.49 -44.92 73.69 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.057 -0.519 . . . . 10.0 110.369 179.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -64.25 -52.65 57.68 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.859 179.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 547' ' ' TYR . . . . . 0.407 ' HD1' ' O ' ' D' ' 543' ' ' ARG . 29.1 m-85 -59.34 -35.87 74.65 Favored 'General case' 0 C--O 1.225 -0.208 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.9 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 548' ' ' HIS . . . . . 0.419 ' HB2' ' O ' ' D' ' 544' ' ' LEU . 9.7 t-160 -66.77 -45.71 77.6 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.768 -0.456 . . . . 10.0 109.768 178.679 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -64.02 -45.91 86.82 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 109.581 -0.526 . . . . 10.0 109.581 178.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.93 -36.95 85.12 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-N 115.533 -0.758 . . . . 10.0 110.542 179.387 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -66.29 -38.17 87.12 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 110.082 -0.34 . . . . 10.0 110.082 179.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 6.2 m -70.63 -43.2 69.73 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.124 -0.695 . . . . 10.0 109.124 178.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -62.37 -45.82 91.42 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 109.463 -0.569 . . . . 10.0 109.463 178.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -62.01 -41.39 98.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.513 -0.767 . . . . 10.0 110.246 179.268 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 20.9 tp -63.91 -33.49 75.83 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 109.611 -0.514 . . . . 10.0 109.611 178.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 24.3 m -69.69 -42.75 73.68 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.74 -0.664 . . . . 10.0 110.294 179.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.1 -34.44 71.12 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.03 0.443 . . . . 10.0 109.845 178.627 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 32.4 mt -63.14 -46.12 88.71 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.029 178.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 559' ' ' SER . . . . . 0.435 ' HA ' ' HB3' ' D' ' 562' ' ' ALA . 2.8 p -71.54 -30.66 66.15 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.091 0.472 . . . . 10.0 110.283 178.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -64.26 -31.95 73.35 Favored 'General case' 0 C--O 1.224 -0.242 0 N-CA-C 109.127 -0.694 . . . . 10.0 109.127 178.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -103.5 4.36 35.85 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.59 -0.732 . . . . 10.0 110.354 179.15 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 562' ' ' ALA . . . . . 0.435 ' HB3' ' HA ' ' D' ' 559' ' ' SER . . . -90.21 -55.11 3.73 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.476 -0.329 . . . . 10.0 110.587 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 563' ' ' LYS . . . . . 0.441 ' N ' ' HD2' ' D' ' 564' ' ' PRO . 90.5 mttt -52.46 -55.29 33.46 Favored Pre-proline 0 CA--C 1.532 0.272 0 CA-C-N 116.247 -0.433 . . . . 10.0 112.112 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 564' ' ' PRO . . . . . 0.441 ' HD2' ' N ' ' D' ' 563' ' ' LYS . 28.2 Cg_endo -62.73 -40.94 33.55 Favored 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 121.835 1.69 . . . . 10.0 112.22 179.641 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -66.44 -48.2 70.75 Favored 'General case' 0 C--O 1.224 -0.245 0 N-CA-C 112.055 0.391 . . . . 10.0 112.055 -179.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 91.3 mt -60.08 -46.27 90.12 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 120.621 0.248 . . . . 10.0 110.844 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -67.66 -41.15 84.23 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.424 -0.353 . . . . 10.0 110.855 179.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -63.62 -44.55 93.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.442 -0.345 . . . . 10.0 110.216 179.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 40.1 mt -62.84 -40.67 98.15 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-N 116.136 -0.483 . . . . 10.0 110.196 178.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 66.3 mtt180 -65.68 -47.85 74.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.91 0.386 . . . . 10.0 110.456 179.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -71.46 -12.29 61.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.033 -0.53 . . . . 10.0 111.38 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -100.14 -31.75 5.81 Favored Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 111.317 -0.713 . . . . 10.0 111.317 179.143 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 573' ' ' LEU . . . . . 0.578 ' HA ' HG12 ' D' ' 576' ' ' VAL . 20.2 mt -74.5 -36.79 63.25 Favored 'General case' 0 C--O 1.22 -0.468 0 N-CA-C 111.38 0.141 . . . . 10.0 111.38 179.674 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 574' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' D' ' 574' ' ' LEU . 34.6 mt -55.54 -60.5 8.3 Favored Pre-proline 0 CA--C 1.536 0.419 0 N-CA-C 112.302 0.482 . . . . 10.0 112.302 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -63.4 -37.27 50.35 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 122.001 1.8 . . . . 10.0 112.081 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 576' ' ' VAL . . . . . 0.578 HG12 ' HA ' ' D' ' 573' ' ' LEU . 0.9 OUTLIER -69.53 -34.32 61.22 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 C-N-CA 120.812 -0.355 . . . . 10.0 111.121 -179.784 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D ' 577' ' ' LEU . . . . . 0.479 ' O ' ' HG3' ' D' ' 581' ' ' LYS . 11.4 mt -64.55 -44.29 91.26 Favored 'General case' 0 CA--C 1.511 -0.539 0 N-CA-C 109.365 -0.606 . . . . 10.0 109.365 178.258 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 578' ' ' GLU . . . . . 0.416 ' O ' HG23 ' D' ' 582' ' ' VAL . 70.7 mm-40 -60.64 -40.26 91.32 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.829 -0.623 . . . . 10.0 109.459 178.458 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 13.6 m -62.81 -44.55 95.85 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 109.16 -0.682 . . . . 10.0 109.16 178.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 580' ' ' PHE . . . . . 0.468 ' O ' ' HB2' ' D' ' 584' ' ' PHE . 15.8 m-85 -64.67 -36.96 85.96 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.758 -0.655 . . . . 10.0 110.739 179.258 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 581' ' ' LYS . . . . . 0.479 ' HG3' ' O ' ' D' ' 577' ' ' LEU . 93.4 mttt -62.09 -50.48 71.78 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 116.448 -0.342 . . . . 10.0 110.122 179.205 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 582' ' ' VAL . . . . . 0.416 HG23 ' O ' ' D' ' 578' ' ' GLU . 81.4 t -57.73 -49.77 79.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.706 179.401 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 20.2 m -61.62 -37.74 85.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.278 -0.419 . . . . 10.0 111.073 179.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 584' ' ' PHE . . . . . 0.468 ' HB2' ' O ' ' D' ' 580' ' ' PHE . 0.2 OUTLIER -68.34 -48.6 64.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.436 -0.347 . . . . 10.0 111.211 -179.918 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 84.6 mt -59.85 -47.93 83.73 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.333 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 10.0 p -65.52 -35.25 80.32 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.934 0.397 . . . . 10.0 110.571 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -67.58 -55.4 13.55 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.207 178.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 93.8 mt -56.74 -43.77 81.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.906 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -56.02 -50.32 71.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.855 179.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -71.1 -37.28 72.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.325 -0.398 . . . . 10.0 111.602 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -60.85 -41.14 95.27 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.878 0.371 . . . . 10.0 110.102 179.143 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 16.7 m -64.08 -38.8 92.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.538 179.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -71.45 -39.18 71.17 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.919 0.39 . . . . 10.0 110.625 179.217 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 594' ' ' LYS . . . . . 0.632 ' HE2' ' HB2' ' A' ' 388' ' ' SER . 7.7 mptt -70.39 -29.78 66.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 10.0 112.291 -179.425 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 71.5 mt -102.39 11.39 38.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.007 0.432 . . . . 10.0 111.965 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 . . . . . 0 C--N 1.323 -0.576 0 CA-C-N 116.33 -0.395 . . . . 10.0 111.703 -179.704 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 N--CA 1.456 -0.166 0 CA-C-O 120.897 0.379 . . . . 10.0 110.646 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 22.0 m -143.63 136.6 27.59 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.321 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.476 ' HA ' ' HB3' ' B' ' 52' ' ' LEU . 26.5 tt0 -91.2 140.26 29.97 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.924 -0.399 . . . . 10.0 109.924 179.398 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -127.51 114.19 17.13 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 120.807 0.337 . . . . 10.0 110.433 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 47.4 mttm -83.23 107.74 15.98 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.551 -179.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.474 HD11 HD22 ' B' ' 53' ' ' LEU . 0.7 OUTLIER -111.87 138.51 48.39 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.744 -0.662 . . . . 10.0 111.437 -178.054 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 45.4 t -124.64 123.1 65.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.018 179.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 67.7 t -95.11 111.11 25.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.411 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 15.8 m -107.69 164.36 5.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.32 -0.4 . . . . 10.0 111.155 -179.224 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 152.76 -175.41 31.33 Favored Glycine 0 N--CA 1.443 -0.894 0 N-CA-C 111.35 -0.7 . . . . 10.0 111.35 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . 0.497 ' HB3' ' HB3' ' B' ' 89' ' ' SER . . . -84.12 -168.07 2.01 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.788 0.327 . . . . 10.0 111.342 -179.495 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -94.28 136.43 34.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.197 0.523 . . . . 10.0 111.374 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.34 14.88 81.72 Favored Glycine 0 N--CA 1.451 -0.319 0 CA-C-N 115.581 -0.736 . . . . 10.0 113.163 179.356 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 27.6 m -81.89 -23.5 9.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.086 0.47 . . . . 10.0 111.222 -179.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.51 18.86 10.4 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.583 -0.818 . . . . 10.0 112.289 179.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . 0.512 ' HG3' ' OD1' ' B' ' 57' ' ' ASP . 9.9 ptmm? -63.42 -22.65 67.01 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 121.391 0.615 . . . . 10.0 110.927 179.699 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.22 -46.46 8.77 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 109.295 -0.631 . . . . 10.0 109.295 178.473 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.82 -49.52 73.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.617 -0.719 . . . . 10.0 111.805 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.517 HD23 ' HB2' ' B' ' 146' ' ' ALA . 68.7 mt -58.72 -48.34 81.49 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.384 -0.371 . . . . 10.0 111.456 -179.748 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 13.3 m -62.97 -44.66 95.43 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 116.067 -0.515 . . . . 10.0 111.166 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 93.6 mt -63.73 -33.61 62.83 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 CA-C-N 116.43 -0.35 . . . . 10.0 111.75 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' GLN . . . . . 0.563 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 6.1 mm-40 -66.35 -23.35 66.33 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.849 0.356 . . . . 10.0 111.686 179.738 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 6.2 tp -92.78 -34.52 13.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.144 0.497 . . . . 10.0 110.784 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 47.6 mm -78.79 -60.79 2.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 112.519 0.563 . . . . 10.0 112.519 -178.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -101.31 -0.42 35.66 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.782 0.66 . . . . 10.0 112.782 -177.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . 0.563 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 90.1 m-20 58.28 36.8 25.9 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 113.597 0.962 . . . . 10.0 113.597 178.308 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -139.31 155.1 47.95 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.745 0.307 . . . . 10.0 111.075 179.027 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -97.46 142.76 28.92 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.771 -179.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 3.9 m -104.11 113.66 41.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.141 -0.481 . . . . 10.0 111.284 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -90.38 -6.64 54.76 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.437 0.637 . . . . 10.0 109.586 179.361 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -106.7 121.5 44.48 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.449 -0.796 . . . . 10.0 110.51 179.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -71.92 127.96 34.22 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.898 -179.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -135.3 109.21 10.42 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.68 -0.236 . . . . 10.0 110.803 179.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -56.21 115.17 2.28 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 123.082 2.522 . . . . 10.0 112.047 -179.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 1.3 m -91.71 118.75 30.94 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.673 -179.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 40.7 mm -81.8 -45.41 20.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 109.016 -0.735 . . . . 10.0 109.016 178.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . 0.743 ' HG2' HD11 ' B' ' 56' ' ' LEU . 6.8 tt0 -178.76 95.26 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.223 -0.899 . . . . 10.0 109.706 178.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -118.0 127.21 53.6 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 121.0 -0.28 . . . . 10.0 110.425 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . 0.586 ' HB2' ' NH1' ' B' ' 41' ' ' ARG . 1.6 p -104.8 130.39 52.91 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.933 0.397 . . . . 10.0 111.043 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -119.56 137.22 53.97 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.255 -0.43 . . . . 10.0 110.886 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.586 ' NH1' ' HB2' ' B' ' 39' ' ' SER . 2.0 mpp_? -108.71 128.51 54.93 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.466 -0.334 . . . . 10.0 110.77 -179.711 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . 0.547 ' HB3' ' HB2' ' B' ' 53' ' ' LEU . 41.0 tptt -131.16 145.51 51.99 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.146 -179.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -128.88 111.2 12.81 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 110.212 -0.292 . . . . 10.0 110.212 179.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 2.0 m -135.91 158.85 39.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.415 -0.357 . . . . 10.0 111.348 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 13.5 t -94.43 96.82 6.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.322 -0.399 . . . . 10.0 109.946 179.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . 0.516 ' HB ' ' SG ' ' B' ' 51' ' ' CYS . 73.3 mt -103.71 120.73 54.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.275 -0.421 . . . . 10.0 110.554 -179.529 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . 0.441 ' HB2' HH12 ' B' ' 164' ' ' ARG . 71.8 m-20 68.6 25.65 6.54 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.505 -0.771 . . . . 10.0 111.764 179.306 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.42 5.27 85.15 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.756 -0.735 . . . . 10.0 112.814 179.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -125.57 135.89 52.71 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.856 0.328 . . . . 10.0 110.492 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 1.7 m -68.31 128.75 37.7 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.804 -0.443 . . . . 10.0 109.804 179.328 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' CYS . . . . . 0.516 ' SG ' ' HB ' ' B' ' 46' ' ' ILE . 2.1 m -123.56 126.4 46.6 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.834 0.35 . . . . 10.0 111.3 -179.319 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.476 ' HB3' ' HA ' ' B' ' 3' ' ' GLU . 47.2 tp -90.94 102.03 14.8 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.451 -0.944 . . . . 10.0 108.451 178.356 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . 0.547 ' HB2' ' HB3' ' B' ' 42' ' ' LYS . 34.1 mt -82.7 113.7 20.55 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 116.02 -0.536 . . . . 10.0 111.78 -178.088 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -103.95 89.29 3.25 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 107.849 -1.167 . . . . 10.0 107.849 178.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' ILE . . . . . 0.411 HG12 HD12 ' B' ' 6' ' ' LEU . 1.4 mt -94.56 148.74 4.76 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 115.953 -0.567 . . . . 10.0 111.984 -177.534 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.743 HD11 ' HG2' ' B' ' 37' ' ' GLU . 20.6 tp -140.09 121.15 14.68 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.259 -0.428 . . . . 10.0 110.459 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . 0.512 ' OD1' ' HG3' ' B' ' 16' ' ' LYS . 26.3 t0 -89.99 105.94 18.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.783 0.325 . . . . 10.0 110.318 179.082 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 22.9 p -77.9 162.47 26.8 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.839 -0.619 . . . . 10.0 111.58 -179.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -83.66 113.4 20.83 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 116.137 -0.483 . . . . 10.0 109.872 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -91.35 35.75 3.84 Favored Glycine 0 N--CA 1.452 -0.266 0 CA-C-N 116.133 -0.485 . . . . 10.0 112.473 -179.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -93.49 1.34 56.82 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.96 0.41 . . . . 10.0 110.701 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 61.73 -166.59 0.21 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.48 -0.782 . . . . 10.0 112.846 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 78.01 -41.78 0.34 Allowed 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.268 0.627 . . . . 10.0 111.355 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' TYR . . . . . 0.818 ' HB3' ' HB3' ' B' ' 67' ' ' MET . 11.6 m-85 -58.71 96.51 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 121.086 0.469 . . . . 10.0 110.781 179.676 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.33 -40.57 12.69 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.753 -179.408 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -82.93 -32.8 27.02 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.683 -0.488 . . . . 10.0 109.683 179.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . 0.818 ' HB3' ' HB3' ' B' ' 64' ' ' TYR . 17.6 tpp -78.14 67.8 4.04 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.249 -0.649 . . . . 10.0 109.249 179.387 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.11 -60.13 0.32 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.188 -179.151 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.504 ' HA ' HG11 ' B' ' 103' ' ' VAL . 3.8 m-20 -48.14 -50.77 27.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.27 -0.877 . . . . 10.0 112.697 -179.335 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -40.13 -61.9 0.81 Allowed 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 114.272 1.212 . . . . 10.0 114.272 -178.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -78.24 -21.51 49.83 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 113.417 0.895 . . . . 10.0 113.417 -178.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . 0.885 ' HA ' ' HZ ' ' B' ' 78' ' ' PHE . 59.1 mtt -74.51 -40.3 61.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.908 0.385 . . . . 10.0 111.353 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 87.5 mtt180 -72.4 -28.41 62.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.913 0.387 . . . . 10.0 110.803 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 9.1 m -86.04 -42.88 13.58 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.046 -0.525 . . . . 10.0 112.007 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -66.68 143.2 43.42 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 121.256 -0.497 . . . . 10.0 112.846 -179.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -104.26 -38.99 6.66 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.233 0.539 . . . . 10.0 110.35 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -116.48 131.55 9.61 Favored Glycine 0 N--CA 1.447 -0.604 0 N-CA-C 111.21 -0.756 . . . . 10.0 111.21 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . 0.885 ' HZ ' ' HA ' ' B' ' 72' ' ' MET . 66.9 m-85 -113.72 125.78 54.5 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.115 0.483 . . . . 10.0 111.562 -179.675 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.575 HD12 ' HB ' ' B' ' 112' ' ' VAL . 14.7 tp -104.39 115.11 29.8 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.683 -0.689 . . . . 10.0 109.347 179.614 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . 0.692 ' HB3' HD12 ' B' ' 93' ' ' ILE . 14.5 m -92.78 97.6 10.87 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.803 0.335 . . . . 10.0 110.264 -179.51 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 99.0 t -99.53 121.82 50.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.809 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 36.6 p90 -131.1 161.02 33.02 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.701 -0.681 . . . . 10.0 109.879 179.097 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.585 ' HB3' ' HB3' ' B' ' 86' ' ' ASN . . . -97.02 128.26 43.81 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.208 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . 0.477 ' CD1' ' HA ' ' B' ' 118' ' ' CYS . 18.9 pt -67.05 -12.76 15.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.053 0.454 . . . . 10.0 111.693 -179.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . 0.428 ' OD1' ' HB1' ' B' ' 83' ' ' ALA . 32.7 p-10 -105.6 13.79 29.41 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.971 -0.558 . . . . 10.0 110.894 179.615 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.585 ' HB3' ' HB3' ' B' ' 83' ' ' ALA . 23.7 t-20 -140.98 101.94 4.15 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 115.497 -0.774 . . . . 10.0 109.897 179.355 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.75 -18.85 65.02 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.523 0.564 . . . . 10.0 112.523 -179.035 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -61.18 -49.31 77.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.61 0.243 . . . . 10.0 111.2 -179.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . 0.584 ' O ' HG12 ' B' ' 93' ' ' ILE . 2.5 p -63.53 -39.03 93.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.397 -0.365 . . . . 10.0 111.108 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . 0.433 ' CZ ' ' HA ' ' B' ' 130' ' ' ALA . 38.9 t80 -62.31 -36.06 80.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.364 -0.38 . . . . 10.0 111.279 179.725 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -73.86 -38.83 64.35 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.715 179.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 92' ' ' ASP . . . . . 0.495 ' HA ' ' HD2' ' B' ' 95' ' ' HIS . 0.3 OUTLIER -69.05 -21.28 64.1 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.018 -0.537 . . . . 10.0 112.309 -179.461 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 93' ' ' ILE . . . . . 0.692 HD12 ' HB3' ' B' ' 80' ' ' CYS . 23.5 mm -55.23 -40.51 56.39 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 CA-C-N 116.165 -0.471 . . . . 10.0 110.684 179.488 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -66.49 -41.04 89.53 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.925 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 95' ' ' HIS . . . . . 0.495 ' HD2' ' HA ' ' B' ' 92' ' ' ASP . 98.5 m-70 -64.73 -44.81 88.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.011 -0.541 . . . . 10.0 110.99 -179.459 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -59.88 -44.6 94.09 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.154 -0.476 . . . . 10.0 111.263 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -60.32 -49.09 78.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.044 -0.525 . . . . 10.0 111.813 -179.276 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -66.24 -27.46 67.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.796 0.331 . . . . 10.0 111.567 -179.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -75.56 -47.31 27.33 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.522 -0.308 . . . . 10.0 110.463 179.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . 0.402 HG12 ' HE2' ' B' ' 72' ' ' MET . 93.9 mt -58.22 -41.4 80.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-N 116.066 -0.515 . . . . 10.0 111.31 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 101' ' ' LYS . . . . . 0.49 ' HD2' ' HA ' ' B' ' 107' ' ' GLU . 32.0 mtmt -60.69 -26.32 67.03 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.563 0.579 . . . . 10.0 112.563 -179.595 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 8.5 ttm180 -83.97 -36.75 23.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.151 0.5 . . . . 10.0 110.201 179.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 103' ' ' VAL . . . . . 0.504 HG11 ' HA ' ' B' ' 69' ' ' ASP . 91.1 t -71.68 -46.71 60.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.406 -0.815 . . . . 10.0 111.547 -179.684 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . 0.427 ' HD2' ' HE2' ' B' ' 78' ' ' PHE . 30.7 mtpp -86.81 -8.68 57.11 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.923 0.342 . . . . 10.0 111.923 -179.218 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 31.3 t0 54.34 71.16 0.54 Allowed 'General case' 0 N--CA 1.468 0.449 0 O-C-N 123.736 0.647 . . . . 10.0 112.083 -179.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 28.8 t -175.29 132.82 0.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.669 -0.696 . . . . 10.0 109.737 179.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . 0.49 ' HA ' ' HD2' ' B' ' 101' ' ' LYS . 38.7 tp10 -80.1 -19.41 47.47 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.336 -0.616 . . . . 10.0 109.336 179.048 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -114.88 120.7 40.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.949 -0.569 . . . . 10.0 111.196 -179.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -149.27 149.15 28.62 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 115.938 -0.573 . . . . 10.0 110.892 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -66.65 115.17 3.41 Favored 'Trans proline' 0 C--O 1.236 0.388 0 C-N-CA 122.518 2.145 . . . . 10.0 110.989 178.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 11.1 ttm -145.61 144.71 30.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.743 -0.208 . . . . 10.0 110.552 -179.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . 0.575 ' HB ' HD12 ' B' ' 79' ' ' LEU . 82.3 t -127.97 128.32 68.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.79 -0.448 . . . . 10.0 109.79 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . 0.43 HD12 ' HB2' ' B' ' 80' ' ' CYS . 18.6 tp -92.59 123.79 36.14 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.068 -0.716 . . . . 10.0 109.068 179.341 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 71.7 t -127.01 125.19 66.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.029 0.442 . . . . 10.0 112.114 -178.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -99.25 118.37 6.16 Favored Glycine 0 N--CA 1.445 -0.719 0 N-CA-C 109.242 -1.543 . . . . 10.0 109.242 178.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -99.23 167.95 10.35 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.905 0.352 . . . . 10.0 111.813 -178.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 94.5 mttt 66.09 32.01 8.5 Favored 'General case' 0 C--O 1.235 0.3 0 O-C-N 123.725 0.64 . . . . 10.0 111.399 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 118' ' ' CYS . . . . . 0.477 ' HA ' ' CD1' ' B' ' 84' ' ' ILE . 78.0 m -72.69 5.07 3.37 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 113.825 1.046 . . . . 10.0 113.825 -178.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -112.08 7.24 19.63 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.227 0.537 . . . . 10.0 110.481 178.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . 0.467 ' HA ' ' HD3' ' B' ' 121' ' ' PRO . 51.0 mt -95.35 139.0 21.81 Favored Pre-proline 0 C--O 1.236 0.394 0 CA-C-N 115.846 -0.616 . . . . 10.0 110.019 179.32 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 121' ' ' PRO . . . . . 0.467 ' HD3' ' HA ' ' B' ' 120' ' ' LEU . 8.2 Cg_exo -72.27 156.08 55.41 Favored 'Trans proline' 0 C--O 1.237 0.449 0 C-N-CA 123.06 2.507 . . . . 10.0 112.88 -178.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 4.3 m 54.7 77.21 0.21 Allowed 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.209 -0.905 . . . . 10.0 112.66 179.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 123' ' ' ARG . . . . . 0.447 ' HD2' ' HA ' ' B' ' 126' ' ' ASP . 2.7 ptp180 -90.2 165.16 14.1 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.124 -0.489 . . . . 10.0 109.966 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -105.33 -45.94 4.35 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.882 0.373 . . . . 10.0 111.095 178.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 63.6 t -92.97 107.89 19.68 Favored 'Isoleucine or valine' 0 C--O 1.238 0.473 0 CA-C-O 120.963 0.411 . . . . 10.0 110.57 179.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 126' ' ' ASP . . . . . 0.447 ' HA ' ' HD2' ' B' ' 123' ' ' ARG . 17.3 t70 -71.32 148.29 47.23 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.777 -0.647 . . . . 10.0 109.515 179.044 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 2.0 m -53.64 -40.2 65.64 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.125 0.417 . . . . 10.0 112.125 -179.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 128' ' ' LYS . . . . . 0.769 ' HD2' ' H ' ' C' ' 47' ' ' ASP . 36.9 mtmm -57.92 -50.21 74.13 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.467 0.543 . . . . 10.0 112.467 -178.586 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -70.33 -23.27 62.8 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.93 0.395 . . . . 10.0 111.339 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 130' ' ' ALA . . . . . 0.433 ' HA ' ' CZ ' ' B' ' 90' ' ' PHE . . . -73.09 -45.4 57.39 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.229 -0.656 . . . . 10.0 109.229 178.47 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . 0.624 ' HG3' ' HD2' ' B' ' 141' ' ' PHE . 17.8 mt-30 -68.71 -33.16 73.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.53 -0.759 . . . . 10.0 109.193 178.49 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -61.73 -41.85 98.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.449 -0.796 . . . . 10.0 110.321 178.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 23.6 tp -69.15 -35.7 76.62 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.01 0.433 . . . . 10.0 110.915 179.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.08 -20.94 66.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.789 -0.641 . . . . 10.0 111.772 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 135' ' ' ARG . . . . . 0.492 ' HD3' ' HG3' ' C' ' 161' ' ' ARG . 42.8 mtm105 -64.7 -36.83 85.53 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-O 120.814 0.34 . . . . 10.0 111.254 -179.675 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 2.0 m -69.67 -22.18 63.46 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.133 -0.485 . . . . 10.0 111.25 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 137' ' ' TYR . . . . . 0.439 ' HB2' HG12 ' B' ' 139' ' ' ILE . 11.6 m-85 -93.19 -39.46 11.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.515 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 84.91 37.27 10.33 Favored Glycine 0 N--CA 1.449 -0.498 0 N-CA-C 110.64 -0.984 . . . . 10.0 110.64 -179.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 139' ' ' ILE . . . . . 0.439 HG12 ' HB2' ' B' ' 137' ' ' TYR . 25.2 pt -125.12 157.89 65.47 Favored Pre-proline 0 C--N 1.324 -0.511 0 N-CA-C 109.913 -0.402 . . . . 10.0 109.913 -179.629 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 140' ' ' PRO . . . . . 0.429 ' HD2' ' HB ' ' B' ' 139' ' ' ILE . 72.5 Cg_endo -77.94 144.95 21.95 Favored 'Trans proline' 0 CA--C 1.531 0.35 0 C-N-CA 122.63 2.22 . . . . 10.0 112.606 -179.65 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 141' ' ' PHE . . . . . 0.624 ' HD2' ' HG3' ' B' ' 131' ' ' GLN . 46.1 t80 -131.22 134.96 46.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 10.0 109.849 179.423 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 142' ' ' ILE . . . . . 0.594 HD11 ' HA ' ' B' ' 155' ' ' ALA . 5.5 pt -138.78 150.47 23.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.422 -0.354 . . . . 10.0 111.152 179.672 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -84.6 137.25 33.4 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.934 -0.765 . . . . 10.0 108.934 178.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 15.6 m -140.46 156.07 46.48 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.134 0.492 . . . . 10.0 111.589 -178.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 3.2 t -145.68 116.79 7.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.592 -0.731 . . . . 10.0 109.066 178.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 146' ' ' ALA . . . . . 0.517 ' HB2' HD23 ' B' ' 19' ' ' LEU . . . -74.56 -26.11 59.73 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.749 0.309 . . . . 10.0 110.23 179.717 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -63.76 -44.03 94.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.912 -0.586 . . . . 10.0 110.218 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 32.2 p -91.71 -16.7 26.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.423 0.63 . . . . 10.0 110.067 179.176 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 13.9 ttt-85 68.27 24.33 7.47 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 114.824 -1.08 . . . . 10.0 111.024 -179.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -96.93 125.75 41.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.708 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 89.99 -8.62 79.49 Favored Glycine 0 N--CA 1.452 -0.244 0 CA-C-N 115.929 -0.578 . . . . 10.0 112.926 179.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 77.5 t -57.68 -58.11 7.54 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-O 120.704 0.288 . . . . 10.0 111.67 -179.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.8 -44.34 94.01 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.255 -0.429 . . . . 10.0 111.284 -179.175 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -59.37 -37.14 77.18 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.979 -0.555 . . . . 10.0 112.255 -178.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 155' ' ' ALA . . . . . 0.594 ' HA ' HD11 ' B' ' 142' ' ' ILE . . . -60.26 -45.26 93.92 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.139 0.495 . . . . 10.0 110.487 179.287 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -69.27 -39.19 78.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.758 -0.656 . . . . 10.0 110.822 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -59.54 -46.14 89.75 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.403 0.62 . . . . 10.0 110.689 179.13 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 27.9 m -60.12 -41.71 93.21 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.525 -0.762 . . . . 10.0 111.644 -179.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 159' ' ' LEU . . . . . 0.446 HD22 ' HB2' ' B' ' 79' ' ' LEU . 23.3 tp -61.48 -38.42 87.19 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 120.9 0.381 . . . . 10.0 111.567 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 89.5 t -66.44 -41.65 89.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.265 0.555 . . . . 10.0 109.783 179.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 1.9 tpp180 -63.47 -35.46 80.51 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 115.251 -0.886 . . . . 10.0 110.12 179.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -65.47 -38.45 89.83 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.869 -0.605 . . . . 10.0 111.162 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 163' ' ' ILE . . . . . 0.4 HG13 ' O ' ' B' ' 159' ' ' LEU . 65.7 mt -65.34 -43.99 94.82 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 N-CA-C 109.385 -0.598 . . . . 10.0 109.385 178.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 164' ' ' ARG . . . . . 0.441 HH12 ' HB2' ' B' ' 47' ' ' ASP . 97.5 mtt180 -65.55 -32.46 74.07 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.677 -0.692 . . . . 10.0 109.886 179.119 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 165' ' ' LYS . . . . . 0.649 ' HB2' ' HD3' ' C' ' 135' ' ' ARG . 3.9 tmmm? . . . . . 0 C--N 1.332 -0.178 0 N-CA-C 108.868 -0.79 . . . . 10.0 108.868 178.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.889 0.376 . . . . 10.0 110.962 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 2' ' ' THR . . . . . 0.44 ' HB ' ' CE2' ' C' ' 4' ' ' TYR . 0.2 OUTLIER -93.94 125.01 38.31 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.737 -179.92 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 3' ' ' GLU . . . . . 0.448 ' HG3' HD23 ' C' ' 52' ' ' LEU . 6.7 tt0 -90.66 136.89 32.77 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.46 -0.336 . . . . 10.0 110.202 179.39 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 4' ' ' TYR . . . . . 0.44 ' CE2' ' HB ' ' C' ' 2' ' ' THR . 99.6 m-85 -129.94 121.19 26.11 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.8 -0.444 . . . . 10.0 109.8 179.458 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 48.1 mttm -91.55 111.43 22.93 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.967 0.413 . . . . 10.0 110.856 -179.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . 0.658 ' HB2' HG12 ' C' ' 55' ' ' ILE . 34.7 mt -113.85 129.08 56.63 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.646 -0.706 . . . . 10.0 110.296 -179.569 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 46.2 t -115.06 118.32 58.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-O 121.113 0.482 . . . . 10.0 110.734 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 10.9 t -84.21 119.05 32.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.978 -0.556 . . . . 10.0 109.517 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 31.2 m -114.43 151.69 16.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 116.319 -0.4 . . . . 10.0 110.832 -179.182 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 163.19 179.69 37.84 Favored Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 111.434 -0.667 . . . . 10.0 111.434 -179.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -86.56 -166.09 1.46 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.185 0.517 . . . . 10.0 111.938 -179.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.6 132.74 33.82 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.864 -0.607 . . . . 10.0 111.837 -179.592 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 77.27 17.28 79.62 Favored Glycine 0 N--CA 1.45 -0.383 0 CA-C-N 115.603 -0.726 . . . . 10.0 113.955 178.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 14' ' ' VAL . . . . . 0.6 HG23 ' HG3' ' C' ' 16' ' ' LYS . 16.2 m -79.6 -32.44 14.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 122.287 -0.537 . . . . 10.0 111.727 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.83 32.01 3.47 Favored Glycine 0 C--N 1.33 0.199 0 C-N-CA 120.654 -0.784 . . . . 10.0 113.599 179.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . 0.6 ' HG3' HG23 ' C' ' 14' ' ' VAL . 6.8 mtmp? -68.95 -45.37 70.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.67 0.748 . . . . 10.0 109.749 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 14.7 m -73.22 -38.75 65.95 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.484 -0.78 . . . . 10.0 111.1 -179.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.5 -42.06 70.34 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 19' ' ' LEU . . . . . 0.492 HD22 HG22 ' C' ' 152' ' ' VAL . 87.1 mt -72.08 -43.97 64.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.895 179.341 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 20' ' ' THR . . . . . 0.4 ' O ' HG12 ' C' ' 24' ' ' ILE . 9.7 m -66.54 -43.48 85.0 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.274 0.472 . . . . 10.0 112.274 -179.026 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.04 -35.39 71.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.942 0.401 . . . . 10.0 110.659 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 22' ' ' GLN . . . . . 0.636 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 7.0 mm-40 -68.0 -31.17 70.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.272 0.558 . . . . 10.0 109.879 178.764 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 5.4 tp -78.46 -43.11 27.99 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.646 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 24' ' ' ILE . . . . . 0.439 HD13 ' HD2' ' C' ' 42' ' ' LYS . 47.7 mm -75.34 -68.1 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 113.158 0.799 . . . . 10.0 113.158 -178.531 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -91.42 -17.52 25.66 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 113.185 0.809 . . . . 10.0 113.185 -177.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 26' ' ' ASN . . . . . 0.636 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 39.2 m-80 71.86 47.43 0.32 Allowed 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 114.377 1.251 . . . . 10.0 114.377 178.305 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 15.5 p80 -146.52 155.1 42.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 122.287 -0.258 . . . . 10.0 111.463 178.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -93.26 120.23 33.31 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.925 -0.58 . . . . 10.0 110.614 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 3.4 m -92.13 97.6 7.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.135 0.493 . . . . 10.0 110.954 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -71.69 -20.95 61.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.993 -0.549 . . . . 10.0 109.947 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -87.53 124.03 33.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.708 -0.678 . . . . 10.0 109.596 179.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -74.82 133.42 41.91 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.857 -0.337 . . . . 10.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -119.59 117.68 32.62 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.736 179.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_exo -76.14 75.59 4.14 Favored 'Trans proline' 0 N--CA 1.461 -0.427 0 C-N-CA 122.97 2.446 . . . . 10.0 109.948 178.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 4.3 m -60.1 136.59 58.07 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.48 -0.782 . . . . 10.0 112.655 -179.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 43.0 mm -96.04 -48.58 12.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 108.202 -1.036 . . . . 10.0 108.202 178.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -171.63 102.67 0.19 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.768 -1.106 . . . . 10.0 108.656 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -118.45 148.35 42.67 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.517 0.199 . . . . 10.0 110.662 -179.089 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 39' ' ' SER . . . . . 0.515 ' HB2' ' NH1' ' C' ' 41' ' ' ARG . 40.1 p -131.37 129.53 41.46 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.7 0.286 . . . . 10.0 110.914 179.588 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -120.85 142.14 49.93 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 110.156 -0.313 . . . . 10.0 110.156 -179.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . 0.515 ' NH1' ' HB2' ' C' ' 39' ' ' SER . 2.0 mpp_? -117.6 136.32 53.37 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.457 -0.338 . . . . 10.0 110.54 179.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 42' ' ' LYS . . . . . 0.439 ' HD2' HD13 ' C' ' 24' ' ' ILE . 51.3 tttp -146.02 139.11 25.87 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.745 -0.207 . . . . 10.0 110.554 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -115.19 107.64 15.57 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.968 -0.382 . . . . 10.0 109.968 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 10.2 m -129.65 174.25 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.075 0.464 . . . . 10.0 111.589 -179.205 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 21.9 t -105.86 116.24 49.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.426 -0.583 . . . . 10.0 109.426 178.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 46' ' ' ILE . . . . . 0.543 HD13 HG21 ' C' ' 160' ' ' VAL . 39.9 mt -122.54 121.16 62.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.902 -179.258 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 47' ' ' ASP . . . . . 0.769 ' H ' ' HD2' ' B' ' 128' ' ' LYS . 5.7 m-20 61.34 31.31 19.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.445 -0.798 . . . . 10.0 111.954 179.058 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.58 8.02 83.64 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.843 -0.694 . . . . 10.0 113.385 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 49' ' ' GLU . . . . . 0.423 ' HB3' ' NH2' ' C' ' 164' ' ' ARG . 29.7 tt0 -125.97 132.41 52.06 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.877 0.338 . . . . 10.0 110.9 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 1.3 m -74.15 128.73 36.3 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.367 -0.975 . . . . 10.0 108.367 178.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 51' ' ' CYS . . . . . 0.405 ' HB3' ' CD2' ' C' ' 4' ' ' TYR . 0.8 OUTLIER -130.79 149.66 52.32 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.256 0.55 . . . . 10.0 112.474 -178.155 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 52' ' ' LEU . . . . . 0.448 HD23 ' HG3' ' C' ' 3' ' ' GLU . 32.2 tp -106.52 102.4 11.79 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.191 -1.04 . . . . 10.0 108.191 178.023 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 83.6 mt -83.98 116.42 22.81 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.982 -0.553 . . . . 10.0 112.298 -178.005 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -106.5 91.24 3.61 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.024 -1.102 . . . . 10.0 108.024 178.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 55' ' ' ILE . . . . . 0.658 HG12 ' HB2' ' C' ' 6' ' ' LEU . 70.4 mt -101.62 131.69 48.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.444 -0.798 . . . . 10.0 112.051 -177.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 1.5 tt -114.8 135.45 54.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.837 -0.62 . . . . 10.0 110.004 179.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -95.91 116.06 28.36 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.897 -0.592 . . . . 10.0 110.206 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 49.0 p -85.5 171.45 11.75 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.442 -0.799 . . . . 10.0 111.268 -179.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -107.35 110.7 22.76 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.071 178.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -85.46 39.56 3.01 Favored Glycine 0 CA--C 1.507 -0.42 0 C-N-CA 120.763 -0.732 . . . . 10.0 112.129 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -98.68 6.82 46.73 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.509 0.195 . . . . 10.0 111.13 -179.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 62' ' ' GLU . . . . . 0.644 ' HG3' ' H ' ' C' ' 63' ' ' GLU . 4.3 tp10 63.57 -162.91 0.27 Allowed 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.0 -0.545 . . . . 10.0 110.368 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 63' ' ' GLU . . . . . 0.644 ' H ' ' HG3' ' C' ' 62' ' ' GLU . 2.7 tt0 72.61 -43.08 0.55 Allowed 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 113.459 0.911 . . . . 10.0 113.459 179.588 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 64' ' ' TYR . . . . . 0.625 ' HB3' ' HB3' ' C' ' 67' ' ' MET . 68.6 m-85 -79.27 71.76 5.81 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.634 0.605 . . . . 10.0 112.634 -179.142 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.51 -33.66 54.32 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.3 0.571 . . . . 10.0 110.616 179.705 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -77.89 -37.82 47.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.792 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 67' ' ' MET . . . . . 0.625 ' HB3' ' HB3' ' C' ' 64' ' ' TYR . 44.5 ttp -66.96 -22.41 65.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.943 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 68' ' ' ARG . . . . . 0.471 ' HA ' ' CZ ' ' C' ' 71' ' ' TYR . 2.6 ttp180 -63.92 -41.92 97.53 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.113 -0.494 . . . . 10.0 111.646 -179.039 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -60.19 -33.66 72.53 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 116.091 -0.504 . . . . 10.0 111.506 -179.297 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -55.47 -66.27 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 113.173 0.805 . . . . 10.0 113.173 -177.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 71' ' ' TYR . . . . . 0.471 ' CZ ' ' HA ' ' C' ' 68' ' ' ARG . 13.8 p90 -69.93 -16.31 63.2 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 113.892 1.071 . . . . 10.0 113.892 -178.31 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 72' ' ' MET . . . . . 0.688 ' HA ' ' HZ ' ' C' ' 78' ' ' PHE . 44.7 mtt -74.85 -28.85 60.84 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.971 0.415 . . . . 10.0 111.17 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 75.0 mtt180 -78.18 -35.65 48.47 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.986 -0.552 . . . . 10.0 111.58 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.45 -22.01 25.21 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.208 -0.451 . . . . 10.0 112.128 -179.349 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -80.13 128.75 8.67 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.507 -0.854 . . . . 10.0 113.137 -179.267 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -89.77 -33.97 16.35 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.867 -0.42 . . . . 10.0 109.867 179.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -132.42 145.84 17.65 Favored Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 111.191 -0.764 . . . . 10.0 111.191 179.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 78' ' ' PHE . . . . . 0.807 ' HB2' ' HG2' ' C' ' 111' ' ' MET . 96.6 m-85 -121.52 134.54 55.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.266 0.555 . . . . 10.0 111.907 -179.105 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 79' ' ' LEU . . . . . 0.551 HD12 ' HB ' ' C' ' 112' ' ' VAL . 8.0 tp -105.62 102.5 11.95 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.661 -0.699 . . . . 10.0 109.367 178.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 80' ' ' CYS . . . . . 0.683 ' HB3' HD12 ' C' ' 93' ' ' ILE . 11.0 m -82.3 93.16 7.09 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.801 -179.697 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 81' ' ' VAL . . . . . 0.438 HG22 ' HB ' ' C' ' 114' ' ' VAL . 48.3 t -98.37 123.16 50.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.258 0.551 . . . . 10.0 111.159 -179.722 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -128.41 160.23 32.9 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.626 -0.716 . . . . 10.0 109.663 178.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 83' ' ' ALA . . . . . 0.43 ' HB1' ' OD1' ' C' ' 85' ' ' ASN . . . -99.1 127.02 44.97 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.999 -0.371 . . . . 10.0 109.999 -179.575 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 84' ' ' ILE . . . . . 0.659 ' CD1' ' HA ' ' C' ' 118' ' ' CYS . 24.8 pt -65.41 -18.1 23.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.286 -0.415 . . . . 10.0 111.702 -179.563 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 85' ' ' ASN . . . . . 0.43 ' OD1' ' HB1' ' C' ' 83' ' ' ALA . 11.7 p-10 -92.41 4.15 54.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.731 -0.668 . . . . 10.0 110.638 179.54 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -135.27 98.74 4.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.796 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -58.14 -36.01 72.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.739 -0.664 . . . . 10.0 112.133 -179.281 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -59.63 -39.92 85.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 10.0 112.038 -179.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 96.6 p -66.01 -24.69 66.81 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.973 0.416 . . . . 10.0 111.64 -179.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -74.9 -38.22 61.89 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.51 -0.552 . . . . 10.0 109.51 179.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -72.76 -33.35 66.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.679 -0.691 . . . . 10.0 110.291 179.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -58.23 -32.79 68.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.203 179.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 93' ' ' ILE . . . . . 0.683 HD12 ' HB3' ' C' ' 80' ' ' CYS . 47.1 mm -59.72 -40.8 83.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.001 -0.545 . . . . 10.0 111.26 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -59.84 -48.88 79.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.629 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -65.21 -37.81 88.46 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.719 -0.673 . . . . 10.0 111.151 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 6.8 m-30 -63.93 -45.28 89.93 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.029 -0.532 . . . . 10.0 111.191 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 97' ' ' ARG . . . . . 0.571 ' O ' ' HG3' ' C' ' 101' ' ' LYS . 20.1 ttt-85 -62.68 -42.97 99.91 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.674 -0.239 . . . . 10.0 111.193 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -58.58 -30.91 67.55 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 116.317 -0.402 . . . . 10.0 111.486 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -80.64 -39.86 26.63 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.393 -0.367 . . . . 10.0 110.578 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 96.7 mt -55.1 -44.79 75.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.057 179.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 101' ' ' LYS . . . . . 0.571 ' HG3' ' O ' ' C' ' 97' ' ' ARG . 18.9 mtmt -62.79 -30.53 71.53 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.41 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 26.6 ttm180 -77.05 -44.47 30.64 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.147 -0.478 . . . . 10.0 111.226 -179.115 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 25.0 t -69.63 -45.12 78.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.215 -0.448 . . . . 10.0 111.541 -179.408 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 104' ' ' LYS . . . . . 0.545 ' HD2' ' HE2' ' C' ' 78' ' ' PHE . 18.8 mtpp -82.64 -10.19 59.05 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.386 -0.37 . . . . 10.0 111.288 -179.558 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 21.7 t70 56.95 42.14 26.7 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.363 0.602 . . . . 10.0 111.448 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 17.0 m -153.39 133.23 13.16 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.679 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -74.81 -32.99 62.13 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.617 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -102.81 103.18 13.36 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.309 -0.405 . . . . 10.0 111.545 -179.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 45.5 t -129.9 135.01 26.83 Favored Pre-proline 0 C--N 1.328 -0.344 0 N-CA-C 108.899 -0.778 . . . . 10.0 108.899 179.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -58.8 108.42 0.41 Allowed 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.736 2.291 . . . . 10.0 112.233 179.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 111' ' ' MET . . . . . 0.807 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 53.6 mtm -137.05 152.84 50.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.807 -0.633 . . . . 10.0 110.192 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 112' ' ' VAL . . . . . 0.551 ' HB ' HD12 ' C' ' 79' ' ' LEU . 94.4 t -131.17 133.0 63.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 110.207 -0.294 . . . . 10.0 110.207 179.301 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 113' ' ' LEU . . . . . 0.401 ' O ' ' HA ' ' C' ' 141' ' ' PHE . 21.7 tp -91.55 122.95 34.59 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.364 -0.606 . . . . 10.0 109.364 179.472 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 114' ' ' VAL . . . . . 0.438 ' HB ' HG22 ' C' ' 81' ' ' VAL . 61.8 t -122.71 125.82 73.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-O 121.046 0.451 . . . . 10.0 111.453 -178.448 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -102.27 102.33 2.29 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 109.942 -1.263 . . . . 10.0 109.942 178.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -87.18 163.91 16.66 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.231 0.456 . . . . 10.0 112.231 -177.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 117' ' ' LYS . . . . . 0.562 ' HB3' HD12 ' C' ' 120' ' ' LEU . 86.8 mttt 64.01 30.25 14.1 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.243 -0.89 . . . . 10.0 111.989 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 118' ' ' CYS . . . . . 0.659 ' HA ' ' CD1' ' C' ' 84' ' ' ILE . 1.3 m -69.51 -6.48 30.89 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 112.893 0.701 . . . . 10.0 112.893 -179.624 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -94.48 -5.21 46.66 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 120.741 -0.384 . . . . 10.0 110.245 178.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 120' ' ' LEU . . . . . 0.562 HD12 ' HB3' ' C' ' 117' ' ' LYS . 35.1 mt -82.65 138.94 43.82 Favored Pre-proline 0 C--O 1.234 0.252 0 N-CA-C 109.413 -0.588 . . . . 10.0 109.413 178.423 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -71.48 158.44 53.97 Favored 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 122.498 2.132 . . . . 10.0 113.162 -179.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 35.3 m 56.04 76.24 0.29 Allowed 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.126 -0.943 . . . . 10.0 113.189 179.267 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 123' ' ' ARG . . . . . 0.547 ' HB3' HD12 ' C' ' 84' ' ' ILE . 17.1 ptp180 -85.94 138.1 32.25 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.541 -0.3 . . . . 10.0 110.493 179.463 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -86.22 -33.37 20.77 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.096 0.474 . . . . 10.0 110.576 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 57.6 t -98.56 117.53 43.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.035 -0.529 . . . . 10.0 110.115 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -75.81 159.0 31.47 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.6 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.52 -44.72 70.45 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.321 -0.4 . . . . 10.0 110.758 -179.315 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 128' ' ' LYS . . . . . 0.41 ' HG3' ' H ' ' C' ' 129' ' ' GLN . 9.8 pttm -53.6 -52.62 59.22 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.737 -0.665 . . . . 10.0 112.624 -179.548 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 129' ' ' GLN . . . . . 0.41 ' H ' ' HG3' ' C' ' 128' ' ' LYS . 3.6 pt20 -62.13 -36.39 81.64 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.249 0.462 . . . . 10.0 112.249 -178.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -73.63 -43.1 60.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.153 0.501 . . . . 10.0 110.335 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 131' ' ' GLN . . . . . 0.465 ' HG3' ' HD2' ' C' ' 141' ' ' PHE . 3.2 mt-30 -66.08 -40.02 90.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.578 -0.737 . . . . 10.0 111.931 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -66.22 -41.12 90.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.753 0.311 . . . . 10.0 110.431 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 22.4 tp -62.53 -41.48 98.89 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.985 -0.746 . . . . 10.0 108.985 178.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -67.07 -35.04 78.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.711 -0.677 . . . . 10.0 109.636 178.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 135' ' ' ARG . . . . . 0.649 ' HD3' ' HB2' ' B' ' 165' ' ' LYS . 6.5 tmm_? -65.47 -43.4 90.4 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.4 -0.818 . . . . 10.0 110.37 179.301 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 18.2 m -58.67 -39.41 80.59 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.314 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -83.56 -33.89 25.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.081 -0.509 . . . . 10.0 111.043 -179.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 102.16 30.39 5.71 Favored Glycine 0 N--CA 1.454 -0.137 0 C-N-CA 120.913 -0.661 . . . . 10.0 112.705 179.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 49.1 pt -117.03 154.04 49.7 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-O 120.631 0.253 . . . . 10.0 110.839 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -80.16 155.19 22.45 Favored 'Trans proline' 0 CA--C 1.534 0.508 0 C-N-CA 122.551 2.168 . . . . 10.0 112.283 179.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 141' ' ' PHE . . . . . 0.465 ' HD2' ' HG3' ' C' ' 131' ' ' GLN . 39.7 t80 -126.85 124.33 39.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.48 179.527 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 50.2 mt -127.19 133.95 67.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.301 -0.409 . . . . 10.0 110.364 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -90.46 127.21 36.15 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.174 -0.676 . . . . 10.0 109.174 178.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 81.1 p -127.74 -178.68 4.59 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.565 0.698 . . . . 10.0 112.262 -178.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 1.9 t -170.5 126.33 0.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.805 -1.089 . . . . 10.0 108.824 178.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -66.93 -26.07 66.67 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.441 -0.345 . . . . 10.0 111.657 -178.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -80.21 -40.38 27.26 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 112.25 0.463 . . . . 10.0 112.25 -179.328 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 31.9 p -84.94 -23.36 28.84 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.38 0.511 . . . . 10.0 112.38 -178.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 149' ' ' ARG . . . . . 0.466 ' O ' ' HG3' ' C' ' 149' ' ' ARG . 13.0 tpt180 68.21 22.86 8.04 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 121.778 0.799 . . . . 10.0 110.1 -179.275 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -91.88 128.97 37.92 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.762 -0.654 . . . . 10.0 111.231 -179.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 72.59 -3.52 25.35 Favored Glycine 0 C--N 1.333 0.365 0 CA-C-N 115.891 -0.595 . . . . 10.0 114.307 178.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 152' ' ' VAL . . . . . 0.492 HG22 HD22 ' C' ' 19' ' ' LEU . 61.0 t -60.16 -51.82 68.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 111.971 0.36 . . . . 10.0 111.971 -178.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.0 -42.14 76.86 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.376 -179.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -67.06 -33.36 75.35 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.611 0.597 . . . . 10.0 112.611 -178.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -56.97 -47.2 81.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.947 0.403 . . . . 10.0 110.637 179.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -68.89 -39.54 79.68 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.62 179.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 3.8 m-30 -64.64 -37.14 86.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.914 -0.585 . . . . 10.0 111.243 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 97.3 m -62.38 -34.96 77.72 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.033 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 159' ' ' LEU . . . . . 0.509 ' HG ' HD22 ' C' ' 6' ' ' LEU . 12.5 tp -64.71 -30.78 71.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.469 0.652 . . . . 10.0 109.625 178.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 160' ' ' VAL . . . . . 0.543 HG21 HD13 ' C' ' 46' ' ' ILE . 21.8 t -73.34 -39.91 56.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.076 -0.713 . . . . 10.0 109.076 178.508 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 161' ' ' ARG . . . . . 0.492 ' HG3' ' HD3' ' B' ' 135' ' ' ARG . 0.7 OUTLIER -61.73 -46.28 90.31 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 115.715 -0.675 . . . . 10.0 110.196 179.217 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -62.38 -41.14 98.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.924 -0.58 . . . . 10.0 111.326 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 18.9 mt -62.22 -44.55 99.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.203 0.525 . . . . 10.0 109.835 178.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 164' ' ' ARG . . . . . 0.423 ' NH2' ' HB3' ' C' ' 49' ' ' GLU . 80.4 mtt180 -65.24 -40.75 94.47 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.719 -0.673 . . . . 10.0 110.431 179.058 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 20.4 ttpt -65.76 -43.04 90.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.508 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 29.3 t-80 -59.78 -56.37 22.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.954 -0.567 . . . . 10.0 110.879 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 10.0 111.984 -179.052 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 9.2 tmtm? . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.949 0.404 . . . . 10.0 111.349 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 95.5 mt -67.76 -38.39 83.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.755 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 51.2 mt -65.34 -43.59 90.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.166 0.508 . . . . 10.0 111.209 -179.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -61.72 -39.61 92.12 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.826 -0.625 . . . . 10.0 111.17 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -78.95 -22.54 45.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.112 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 81.8 t90 -71.83 -40.03 69.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.198 179.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -61.8 -35.26 77.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.406 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.68 -45.37 94.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.873 -0.603 . . . . 10.0 110.225 179.327 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 39.1 t -66.92 -39.38 83.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.371 -0.603 . . . . 10.0 109.371 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 31.3 m -60.98 -46.53 90.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.655 -0.702 . . . . 10.0 110.943 179.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 2.4 p -68.58 -28.28 66.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.025 0.441 . . . . 10.0 110.65 179.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 94.0 m -67.3 -43.43 81.71 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 108.625 -0.879 . . . . 10.0 108.625 177.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -60.32 -43.63 96.2 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 115.732 -0.667 . . . . 10.0 110.111 178.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 215' ' ' SER . . . . . 0.532 ' O ' ' HG3' ' A' ' 219' ' ' GLU . 12.9 m -56.03 -54.1 48.94 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.78 179.326 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 22.5 mmtp -61.31 -40.74 95.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.352 -0.385 . . . . 10.0 111.668 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 67.6 mt -65.86 -35.41 80.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.348 -0.387 . . . . 10.0 111.055 179.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 55.7 mtt180 -73.48 -35.1 65.63 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 116.645 -0.252 . . . . 10.0 110.951 179.348 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 219' ' ' GLU . . . . . 0.532 ' HG3' ' O ' ' A' ' 215' ' ' SER . 33.9 mt-10 -65.64 -34.17 77.6 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.498 -0.927 . . . . 10.0 108.498 178.046 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 220' ' ' GLN . . . . . 0.437 ' O ' HG23 ' A' ' 224' ' ' VAL . 7.7 tp-100 -77.91 -30.83 50.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.326 -0.852 . . . . 10.0 109.881 179.004 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 10.6 mt -56.24 -34.62 66.51 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.883 -0.599 . . . . 10.0 111.323 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -56.41 -69.79 1.17 Allowed Glycine 0 C--N 1.333 0.384 0 N-CA-C 111.01 -0.836 . . . . 10.0 111.01 178.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -51.91 -40.92 65.85 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.697 2.264 . . . . 10.0 111.534 177.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 224' ' ' VAL . . . . . 0.649 HG22 ' HD3' ' D' ' 550' ' ' LYS . 56.1 t -55.98 -56.1 14.65 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 O-C-N 123.069 0.231 . . . . 10.0 111.152 179.292 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 225' ' ' THR . . . . . 0.427 ' O ' ' HB2' ' A' ' 229' ' ' TRP . 9.2 p -63.57 -38.33 90.72 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 120.929 -0.308 . . . . 10.0 110.923 -179.706 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -61.78 -47.29 85.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.375 -0.375 . . . . 10.0 111.047 179.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -70.71 -40.89 72.56 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 120.97 0.414 . . . . 10.0 110.877 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -64.25 -44.99 90.09 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.893 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 229' ' ' TRP . . . . . 0.427 ' HB2' ' O ' ' A' ' 225' ' ' THR . 1.1 m-90 -67.19 -34.57 77.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.423 179.369 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -62.25 -50.85 70.1 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.821 -0.437 . . . . 10.0 109.821 178.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 231' ' ' ASN . . . . . 0.586 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 43.7 m-80 -63.77 -35.4 80.48 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.185 -0.672 . . . . 10.0 109.185 178.598 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 6.0 mt -62.65 -40.08 95.9 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.675 -0.693 . . . . 10.0 109.917 178.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -63.59 -41.26 98.35 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-N 116.122 -0.49 . . . . 10.0 109.907 179.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 234' ' ' LYS . . . . . 0.586 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 66.6 mttt -64.99 -41.97 94.93 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.254 -0.647 . . . . 10.0 109.254 178.622 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.54 -48.08 83.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.081 -0.963 . . . . 10.0 110.051 178.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 236' ' ' THR . . . . . 0.481 ' O ' ' HG3' ' A' ' 240' ' ' ARG . 1.0 OUTLIER -70.57 -34.49 72.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.077 -0.511 . . . . 10.0 111.146 179.558 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -61.03 -43.62 98.62 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.261 -0.644 . . . . 10.0 109.261 178.367 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -61.68 -42.29 99.73 Favored Glycine 0 N--CA 1.448 -0.549 0 N-CA-C 109.975 -1.25 . . . . 10.0 109.975 178.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 94.0 mt -65.37 -33.64 76.43 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-O 120.762 0.315 . . . . 10.0 110.692 178.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 240' ' ' ARG . . . . . 0.481 ' HG3' ' O ' ' A' ' 236' ' ' THR . 42.1 mtt180 -67.89 -46.73 70.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.981 0.42 . . . . 10.0 110.279 178.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -65.62 -41.19 92.98 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 121.451 0.644 . . . . 10.0 109.292 179.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -70.32 -20.73 62.98 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.45 -0.796 . . . . 10.0 111.003 179.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 37.3 ttm -62.76 -30.65 71.6 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.967 -0.753 . . . . 10.0 108.967 178.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 244' ' ' SER . . . . . 0.89 ' HA ' ' HG3' ' A' ' 248' ' ' GLU . 19.0 m -73.69 1.56 10.02 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.434 -0.803 . . . . 10.0 110.337 178.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -124.25 -62.91 1.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.734 -0.667 . . . . 10.0 109.279 178.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 246' ' ' ASP . . . . . 0.672 ' HA ' ' CZ ' ' D' ' 528' ' ' ARG . 7.9 t70 -50.37 -49.72 53.47 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.442 -0.799 . . . . 10.0 112.616 -178.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 247' ' ' LEU . . . . . 0.502 ' O ' HG12 ' A' ' 250' ' ' VAL . 35.5 mt -91.01 -38.61 12.71 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.664 0.616 . . . . 10.0 112.664 -179.267 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 248' ' ' GLU . . . . . 0.89 ' HG3' ' HA ' ' A' ' 244' ' ' SER . 3.2 mm-40 -65.29 -45.06 85.94 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 111.934 0.346 . . . . 10.0 111.934 -179.121 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -69.66 -38.83 77.25 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 121.142 -0.223 . . . . 10.0 110.537 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 250' ' ' VAL . . . . . 0.621 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 2.8 p -63.46 -34.42 67.3 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.188 0 C-N-CA 120.968 -0.293 . . . . 10.0 111.011 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -80.97 -32.82 34.22 Favored 'General case' 0 N--CA 1.456 -0.144 0 CA-C-O 120.918 0.389 . . . . 10.0 110.761 179.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -69.27 -38.95 78.64 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.325 -0.62 . . . . 10.0 109.325 179.02 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -86.61 -16.89 35.32 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.72 -0.673 . . . . 10.0 111.105 179.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 254' ' ' VAL . . . . . 0.621 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.3 OUTLIER -61.93 -25.72 38.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.831 0.348 . . . . 10.0 110.654 179.702 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 255' ' ' GLN . . . . . 0.57 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 27.0 mt-30 -63.96 -64.48 2.81 Favored Pre-proline 0 N--CA 1.448 -0.539 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.337 179.099 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 256' ' ' PRO . . . . . 0.57 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 33.9 Cg_endo -66.57 -30.89 42.38 Favored 'Trans proline' 0 C--N 1.359 1.109 0 C-N-CA 121.85 1.7 . . . . 10.0 112.276 178.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 4.5 m-30 -63.52 -57.37 10.41 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.175 0.512 . . . . 10.0 110.406 179.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 55.9 mt -67.92 -34.19 76.14 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.762 -0.654 . . . . 10.0 111.262 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -64.59 -36.38 84.05 Favored 'General case' 0 CA--C 1.52 -0.178 0 O-C-N 123.211 0.319 . . . . 10.0 110.454 179.304 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -64.91 -52.62 55.44 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 121.292 0.568 . . . . 10.0 109.908 178.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 261' ' ' PHE . . . . . 0.402 ' O ' ' HB2' ' A' ' 265' ' ' TRP . 21.9 m-85 -64.09 -34.54 78.27 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.651 -0.704 . . . . 10.0 110.641 178.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -66.83 -46.82 73.92 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.806 -0.442 . . . . 10.0 109.806 178.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -61.42 -46.22 91.02 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.65 -0.704 . . . . 10.0 109.64 179.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 264' ' ' LYS . . . . . 0.738 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 55.4 mttt -66.1 -37.49 85.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.721 -0.672 . . . . 10.0 110.627 178.726 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 265' ' ' TRP . . . . . 0.402 ' HB2' ' O ' ' A' ' 261' ' ' PHE . 0.4 OUTLIER -62.4 -40.03 95.18 Favored 'General case' 0 CA--C 1.516 -0.363 0 N-CA-C 109.276 -0.639 . . . . 10.0 109.276 178.122 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -62.51 -39.39 93.36 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.671 -0.695 . . . . 10.0 109.38 178.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -68.72 -45.66 70.98 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.01 -0.541 . . . . 10.0 109.564 178.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 268' ' ' GLU . . . . . 0.439 ' O ' ' HB2' ' A' ' 272' ' ' TYR . 16.6 mt-10 -57.96 -48.03 81.16 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 115.975 -0.557 . . . . 10.0 109.829 179.142 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 59.7 mmm -64.23 -41.31 97.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.371 -0.832 . . . . 10.0 110.712 179.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -60.06 -49.22 78.52 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.04 179.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 59.5 mt -65.27 -43.43 91.25 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.621 -0.718 . . . . 10.0 110.006 179.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 272' ' ' TYR . . . . . 0.439 ' HB2' ' O ' ' A' ' 268' ' ' GLU . 0.4 OUTLIER -57.91 -43.49 86.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.657 179.681 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 273' ' ' ARG . . . . . 0.43 ' HA ' HG12 ' A' ' 276' ' ' VAL . 81.9 mtt180 -69.61 -42.85 73.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.099 -0.5 . . . . 10.0 110.34 178.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.78 -23.34 67.32 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.812 -0.631 . . . . 10.0 111.161 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 275' ' ' LYS . . . . . 0.937 ' HG2' HD21 ' D' ' 499' ' ' LEU . 12.1 mptt -94.53 -40.41 9.88 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 116.371 -0.377 . . . . 10.0 111.09 179.148 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 276' ' ' VAL . . . . . 0.43 HG12 ' HA ' ' A' ' 273' ' ' ARG . 3.2 p -56.86 -28.13 27.74 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 N-CA-C 112.573 0.582 . . . . 10.0 112.573 -179.211 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 277' ' ' GLU . . . . . 0.54 ' HB2' ' HD3' ' A' ' 278' ' ' PRO . 2.7 mt-10 -68.16 -63.13 2.62 Favored Pre-proline 0 CA--C 1.537 0.457 0 N-CA-C 111.881 0.326 . . . . 10.0 111.881 179.74 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 278' ' ' PRO . . . . . 0.54 ' HD3' ' HB2' ' A' ' 277' ' ' GLU . 42.9 Cg_endo -69.17 -39.04 8.19 Favored 'Trans proline' 0 C--N 1.353 0.799 0 C-N-CA 121.913 1.742 . . . . 10.0 112.783 179.246 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 279' ' ' LEU . . . . . 0.536 ' HB3' ' HE3' ' D' ' 495' ' ' LYS . 40.4 mt -62.27 -46.02 90.69 Favored 'General case' 0 C--N 1.333 -0.136 0 N-CA-C 111.716 0.265 . . . . 10.0 111.716 -179.228 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 23.2 ttm180 -66.95 -32.02 72.98 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 179.015 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -63.27 -43.47 97.87 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.812 -0.81 . . . . 10.0 108.812 178.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -62.26 -42.18 99.1 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.123 -0.695 . . . . 10.0 109.123 178.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 283' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 279' ' ' LEU . 95.4 mt -64.24 -39.47 94.02 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.389 -0.823 . . . . 10.0 110.458 179.272 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -64.33 -53.75 43.79 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 120.905 0.384 . . . . 10.0 110.458 179.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -63.25 -36.75 84.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.893 -0.594 . . . . 10.0 110.376 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -68.64 -39.23 86.55 Favored Glycine 0 N--CA 1.445 -0.742 0 N-CA-C 110.392 -1.083 . . . . 10.0 110.392 178.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -65.11 -45.49 84.91 Favored 'General case' 0 CA--C 1.515 -0.379 0 N-CA-C 109.126 -0.694 . . . . 10.0 109.126 178.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 288' ' ' ARG . . . . . 0.429 ' O ' ' HB2' ' A' ' 292' ' ' HIS . 93.4 mtt180 -62.01 -34.53 76.37 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.782 -0.451 . . . . 10.0 109.782 179.084 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -68.4 -49.46 59.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.73 -0.668 . . . . 10.0 109.909 179.318 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -65.13 -45.11 86.4 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.838 -0.619 . . . . 10.0 110.748 179.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 69.0 mt -63.86 -31.19 72.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.193 179.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 292' ' ' HIS . . . . . 0.429 ' HB2' ' O ' ' A' ' 288' ' ' ARG . 0.2 OUTLIER -61.4 -55.49 30.9 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.993 -0.743 . . . . 10.0 108.993 178.606 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.38 -33.58 75.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.753 179.472 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 59.6 mt -66.0 -50.6 63.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.271 -0.422 . . . . 10.0 109.948 178.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -63.88 -31.06 72.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.972 0.415 . . . . 10.0 110.512 179.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -67.93 -10.34 52.55 Favored 'General case' 0 C--O 1.225 -0.185 0 CA-C-N 115.899 -0.592 . . . . 10.0 110.995 178.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . 0.5 ' HD3' ' HA ' ' A' ' 297' ' ' LYS . 16.7 mmtp -116.35 -26.83 7.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.242 178.346 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 48.0 mt -65.7 -38.92 90.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.38 -0.373 . . . . 10.0 111.282 179.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 299' ' ' SER . . . . . 0.448 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 19.4 m -72.98 -61.52 1.52 Allowed Pre-proline 0 C--N 1.324 -0.529 0 N-CA-C 113.015 0.746 . . . . 10.0 113.015 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 300' ' ' PRO . . . . . 0.448 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 32.4 Cg_endo -64.44 -53.74 0.99 Allowed 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 122.028 1.818 . . . . 10.0 112.944 -179.285 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 301' ' ' LEU . . . . . 0.498 ' HB2' ' O ' ' A' ' 297' ' ' LYS . 94.6 mt -67.98 -30.41 69.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.672 0.273 . . . . 10.0 110.708 -179.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -69.64 -44.52 63.11 Favored Glycine 0 N--CA 1.451 -0.364 0 N-CA-C 109.879 -1.289 . . . . 10.0 109.879 178.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -60.58 -43.71 97.02 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 108.509 -0.923 . . . . 10.0 108.509 178.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.26 -43.65 94.21 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.073 -0.967 . . . . 10.0 110.049 179.257 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 305' ' ' MET . . . . . 0.532 ' HB2' ' HE2' ' D' ' 473' ' ' LYS . 28.1 ttt -61.65 -35.62 78.46 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.082 0.468 . . . . 10.0 110.001 179.389 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -68.52 -38.73 81.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.959 -0.564 . . . . 10.0 109.796 178.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 307' ' ' ASP . . . . . 0.52 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 21.8 t70 -72.03 -38.82 69.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.942 -0.572 . . . . 10.0 109.904 179.006 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -64.47 -35.34 80.61 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.694 -0.854 . . . . 10.0 108.694 178.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -64.25 -33.52 75.99 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 115.603 -0.726 . . . . 10.0 109.08 178.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 310' ' ' ARG . . . . . 0.52 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 89.1 mtt180 -59.01 -49.98 75.83 Favored 'General case' 0 CA--C 1.519 -0.236 0 N-CA-C 109.118 -0.697 . . . . 10.0 109.118 178.286 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -67.58 -40.55 84.83 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.236 179.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -54.35 -51.79 63.63 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 115.766 -0.652 . . . . 10.0 109.925 178.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 61.6 t -75.7 -34.55 28.91 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.262 0 CA-C-N 115.757 -0.656 . . . . 10.0 111.541 -179.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 314' ' ' ASP . . . . . 0.446 ' HA ' ' CZ ' ' A' ' 317' ' ' ARG . 7.4 t70 -60.19 -47.89 84.05 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.968 0.413 . . . . 10.0 110.053 179.549 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -61.86 -37.81 85.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.748 -0.66 . . . . 10.0 109.552 178.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 32.4 mt -67.57 -46.06 73.75 Favored 'General case' 0 C--O 1.225 -0.211 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.204 178.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 317' ' ' ARG . . . . . 0.446 ' CZ ' ' HA ' ' A' ' 314' ' ' ASP . 18.4 mtm105 -59.25 -46.84 87.42 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 120.918 0.39 . . . . 10.0 110.534 179.44 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 2.9 m -67.05 -16.07 64.12 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 121.358 0.599 . . . . 10.0 111.366 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 6.8 m80 -96.04 -43.11 7.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.912 0.387 . . . . 10.0 110.496 179.175 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 91.7 mt -67.97 -32.5 72.96 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.858 -0.61 . . . . 10.0 111.688 -179.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -54.16 -60.57 7.16 Favored Pre-proline 0 CA--C 1.539 0.538 0 N-CA-C 112.255 0.465 . . . . 10.0 112.255 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -69.12 -33.21 19.56 Favored 'Trans proline' 0 C--N 1.352 0.732 0 C-N-CA 121.512 1.474 . . . . 10.0 111.409 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 6.5 m-30 -61.94 -50.17 73.22 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 116.244 -0.435 . . . . 10.0 111.081 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 29.1 p -65.95 -39.64 90.63 Favored 'General case' 0 C--O 1.233 0.2 0 O-C-N 123.324 0.39 . . . . 10.0 110.754 -179.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 325' ' ' ASP . . . . . 0.717 ' HA ' ' HD2' ' A' ' 328' ' ' ARG . 14.0 t0 -59.98 -44.32 94.55 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.966 179.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -78.89 -24.37 44.22 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.176 -0.465 . . . . 10.0 110.239 179.044 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 23.8 tp -65.17 -34.31 78.07 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 107.877 -1.157 . . . . 10.0 107.877 177.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 328' ' ' ARG . . . . . 0.717 ' HD2' ' HA ' ' A' ' 325' ' ' ASP . 73.2 mtt180 -62.58 -38.52 90.43 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 108.503 -0.925 . . . . 10.0 108.503 178.113 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -68.78 -42.99 76.64 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 115.459 -0.791 . . . . 10.0 109.196 178.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 330' ' ' ARG . . . . . 0.819 HH21 ' HB3' ' D' ' 447' ' ' GLU . 9.8 mtt-85 -59.58 -48.26 82.34 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-N 115.563 -0.744 . . . . 10.0 109.668 178.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 93.7 mt -61.38 -44.11 97.71 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.501 -0.772 . . . . 10.0 110.116 179.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -61.24 -44.45 97.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.496 . . . . 10.0 110.339 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -58.75 -44.65 90.62 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.91 0.385 . . . . 10.0 110.457 179.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 58.9 mtt-85 -66.94 -45.56 77.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.788 -0.642 . . . . 10.0 110.304 179.053 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 36.2 mt -60.92 -41.52 96.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.901 -0.59 . . . . 10.0 111.663 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -64.52 -45.24 88.05 Favored 'General case' 0 C--O 1.232 0.159 0 N-CA-C 109.778 -0.453 . . . . 10.0 109.778 179.007 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -63.05 -50.26 71.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.712 -0.677 . . . . 10.0 110.034 179.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 338' ' ' LEU . . . . . 0.468 ' O ' ' HA3' ' A' ' 342' ' ' GLY . 75.0 mt -66.94 -13.15 61.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.053 -0.521 . . . . 10.0 112.287 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 60.7 tttt -89.7 -48.2 7.43 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.857 -0.423 . . . . 10.0 109.857 178.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -69.91 -52.63 23.04 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.783 -0.451 . . . . 10.0 109.783 179.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -68.22 -36.52 79.64 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.135 -0.691 . . . . 10.0 109.135 178.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 342' ' ' GLY . . . . . 0.468 ' HA3' ' O ' ' A' ' 338' ' ' LEU . . . -64.96 -40.25 97.04 Favored Glycine 0 N--CA 1.443 -0.866 0 N-CA-C 110.975 -0.85 . . . . 10.0 110.975 179.159 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -63.81 -37.58 94.89 Favored Glycine 0 N--CA 1.451 -0.344 0 N-CA-C 110.216 -1.153 . . . . 10.0 110.216 178.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -65.98 -41.88 90.55 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 108.923 -0.769 . . . . 10.0 108.923 178.34 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 39.4 mtm180 -63.05 -43.91 97.34 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 115.72 -0.673 . . . . 10.0 109.982 178.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 54.0 mt -61.83 -45.3 94.4 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.67 179.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -63.1 -43.52 98.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.984 -0.553 . . . . 10.0 109.67 178.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 348' ' ' GLU . . . . . 0.586 ' HB3' ' HE2' ' A' ' 352' ' ' LYS . 22.8 mt-10 -62.62 -47.67 82.74 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 115.653 -0.703 . . . . 10.0 109.976 178.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -60.21 -32.28 70.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.384 -0.371 . . . . 10.0 110.743 179.394 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -62.9 -50.01 72.57 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.044 -0.724 . . . . 10.0 109.044 178.158 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -63.7 -44.19 94.4 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.586 -0.734 . . . . 10.0 110.185 179.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 352' ' ' LYS . . . . . 0.586 ' HE2' ' HB3' ' A' ' 348' ' ' GLU . 19.8 mttm -59.47 -47.26 86.16 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 123.527 0.517 . . . . 10.0 110.05 178.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . 0.484 ' O ' ' HG ' ' A' ' 357' ' ' LEU . . . -63.3 -34.62 78.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.565 179.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 72.0 m -63.22 -48.09 79.75 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 109.348 -0.612 . . . . 10.0 109.348 179.035 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -63.78 -35.17 79.72 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 109.774 -0.454 . . . . 10.0 109.774 179.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -64.56 -38.64 91.71 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.825 -0.625 . . . . 10.0 109.411 178.317 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 357' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 353' ' ' ALA . 92.4 mt -69.43 -38.24 77.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.037 -0.529 . . . . 10.0 109.995 179.079 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 11.8 m -61.9 -44.55 96.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.106 178.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 1.5 p -74.77 -27.06 60.17 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.012 -0.54 . . . . 10.0 110.175 179.192 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 26.9 tp -70.69 -30.14 66.63 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.14 -0.689 . . . . 10.0 109.14 178.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 21.8 m -66.66 -28.71 68.68 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.685 -0.689 . . . . 10.0 109.422 178.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 362' ' ' GLU . . . . . 0.426 ' O ' ' HD2' ' A' ' 366' ' ' PRO . 3.0 mm-40 -71.38 -22.29 61.9 Favored 'General case' 0 C--O 1.227 -0.117 0 N-CA-C 108.721 -0.844 . . . . 10.0 108.721 178.25 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 363' ' ' LYS . . . . . 0.671 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 94.5 mttt -93.13 -27.81 16.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.398 -0.819 . . . . 10.0 110.005 179.125 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 364' ' ' ALA . . . . . 0.451 ' O ' ' HB2' ' A' ' 368' ' ' LEU . . . -79.97 -41.41 25.99 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.515 -0.766 . . . . 10.0 111.83 -179.539 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 365' ' ' LYS . . . . . 1.061 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 78.0 mttt -92.27 -74.35 0.04 OUTLIER Pre-proline 0 C--N 1.322 -0.628 0 N-CA-C 112.944 0.72 . . . . 10.0 112.944 -179.686 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 366' ' ' PRO . . . . . 1.061 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 37.6 Cg_exo -61.61 -53.06 2.5 Favored 'Trans proline' 0 C--N 1.355 0.911 0 C-N-CA 122.456 2.104 . . . . 10.0 113.387 -178.494 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 367' ' ' ALA . . . . . 0.671 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -57.34 -51.81 67.89 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.215 0.45 . . . . 10.0 112.215 -179.092 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 368' ' ' LEU . . . . . 0.451 ' HB2' ' O ' ' A' ' 364' ' ' ALA . 16.5 mt -63.18 -37.42 87.14 Favored 'General case' 0 C--N 1.334 -0.081 0 C-N-CA 121.175 -0.21 . . . . 10.0 110.834 179.437 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -63.13 -52.81 61.06 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 110.167 -0.308 . . . . 10.0 110.167 178.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.66 -35.98 79.53 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.219 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 33.2 tp -66.17 -45.05 82.28 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.84 -0.618 . . . . 10.0 110.305 179.09 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 65.6 mtt180 -67.39 -36.89 82.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.825 0.345 . . . . 10.0 110.363 179.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -63.83 -20.99 66.22 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.182 178.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -98.8 -36.08 4.64 Favored Glycine 0 N--CA 1.443 -0.892 0 N-CA-C 111.406 -0.678 . . . . 10.0 111.406 179.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 20.3 mt -66.34 -40.23 89.7 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.61 0.226 . . . . 10.0 111.61 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 376' ' ' LEU . . . . . 0.585 ' O ' ' HG3' ' A' ' 380' ' ' GLU . 81.2 mt -52.65 -60.29 6.84 Favored Pre-proline 0 CA--C 1.533 0.313 0 N-CA-C 112.934 0.716 . . . . 10.0 112.934 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -60.68 -33.34 93.39 Favored 'Trans proline' 0 C--N 1.355 0.899 0 C-N-CA 122.073 1.849 . . . . 10.0 111.741 179.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 24.9 t -64.92 -43.13 96.29 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 N-CA-C 109.797 -0.446 . . . . 10.0 109.797 178.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 77.9 mt -61.85 -38.57 88.72 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.834 -0.621 . . . . 10.0 109.904 178.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 380' ' ' GLU . . . . . 0.585 ' HG3' ' O ' ' A' ' 376' ' ' LEU . 66.2 mt-10 -61.6 -47.95 83.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.564 179.351 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.92 -32.89 74.58 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.379 -0.373 . . . . 10.0 110.207 179.149 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -71.97 -36.84 69.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.754 179.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -62.27 -47.76 82.93 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 109.865 -0.42 . . . . 10.0 109.865 178.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 59.5 t -60.46 -49.21 85.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.8 -0.636 . . . . 10.0 111.097 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 3.6 p -63.32 -40.79 98.29 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.365 -0.379 . . . . 10.0 111.087 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -63.64 -43.61 96.3 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.611 179.377 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 387' ' ' LEU . . . . . 0.415 ' O ' ' HG3' ' A' ' 391' ' ' GLU . 27.0 mt -61.98 -41.02 97.56 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.05 -0.523 . . . . 10.0 109.744 178.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 388' ' ' SER . . . . . 0.57 ' HB3' ' HE2' ' D' ' 594' ' ' LYS . 14.9 m -64.67 -39.8 94.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.757 -0.656 . . . . 10.0 109.721 179.075 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -65.08 -40.81 95.18 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.251 179.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 9.3 mt -57.6 -44.02 85.11 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 116.081 -0.509 . . . . 10.0 109.949 178.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 391' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' ' 387' ' ' LEU . 40.0 mt-10 -63.86 -41.93 97.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.579 -0.737 . . . . 10.0 110.552 179.37 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -52.75 -47.45 67.42 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.959 -0.564 . . . . 10.0 111.531 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -64.42 -47.69 78.19 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.95 -0.568 . . . . 10.0 111.25 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 394' ' ' THR . . . . . 0.428 ' O ' ' HB3' ' A' ' 398' ' ' ASN . 7.3 m -66.86 -20.67 65.96 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.296 0.48 . . . . 10.0 112.296 -179.445 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -86.16 -45.27 11.5 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.432 0.53 . . . . 10.0 112.432 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 396' ' ' LYS . . . . . 0.448 ' HG2' ' HB2' ' D' ' 587' ' ' ALA . 0.4 OUTLIER -94.41 -36.45 11.9 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 114.47 1.285 . . . . 10.0 114.47 -177.733 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 77.2 mt -94.87 -1.3 52.96 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.185 0.517 . . . . 10.0 111.881 -178.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 398' ' ' ASN . . . . . 0.428 ' HB3' ' O ' ' A' ' 394' ' ' THR . 34.8 t-20 . . . . . 0 C--N 1.322 -0.623 0 CA-C-N 116.101 -0.5 . . . . 10.0 110.307 -179.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 2.8 mm? . . . . . 0 N--CA 1.455 -0.2 0 CA-C-O 120.995 0.426 . . . . 10.0 110.554 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -93.66 32.59 1.39 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.493 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 90.4 mt -69.19 -42.06 76.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.998 -0.546 . . . . 10.0 111.108 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 81.7 mt -68.29 -37.92 81.15 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.968 -179.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -63.23 -46.43 86.97 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.83 -0.623 . . . . 10.0 109.579 178.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 404' ' ' ASN . . . . . 0.488 ' O ' HG23 ' D' ' 408' ' ' VAL . 22.3 t-20 -65.59 -46.85 77.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.798 -0.637 . . . . 10.0 109.875 179.254 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -58.3 -40.29 81.61 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.953 -0.567 . . . . 10.0 111.15 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -65.97 -36.54 83.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.076 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 46.0 m -64.22 -36.43 84.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.289 0.566 . . . . 10.0 109.579 178.415 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 408' ' ' VAL . . . . . 0.488 HG23 ' O ' ' D' ' 404' ' ' ASN . 38.4 t -70.03 -32.27 50.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 CA-C-N 115.561 -0.745 . . . . 10.0 109.059 178.157 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 21.8 m -62.86 -42.27 99.69 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 108.903 -0.777 . . . . 10.0 108.903 178.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 2.9 m -61.12 -31.68 71.38 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.743 -0.662 . . . . 10.0 109.389 178.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 411' ' ' THR . . . . . 0.611 HG23 ' HE2' ' A' ' 363' ' ' LYS . 26.3 m -68.71 -42.02 78.26 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.519 -0.764 . . . . 10.0 109.307 178.744 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 412' ' ' PHE . . . . . 0.42 ' HD2' ' O ' ' D' ' 408' ' ' VAL . 22.8 m-85 -63.75 -42.19 97.88 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.955 -0.566 . . . . 10.0 109.689 178.343 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 413' ' ' SER . . . . . 0.461 ' HA ' ' HD2' ' D' ' 416' ' ' ARG . 16.7 m -60.01 -41.25 91.71 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.188 178.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 414' ' ' LYS . . . . . 0.42 ' HD3' ' HA ' ' D' ' 414' ' ' LYS . 66.6 mmtt -66.59 -30.08 70.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.988 0.423 . . . . 10.0 110.452 179.317 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 87.3 mt -67.85 -41.8 82.37 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.067 -0.716 . . . . 10.0 109.067 178.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 416' ' ' ARG . . . . . 0.461 ' HD2' ' HA ' ' D' ' 413' ' ' SER . 31.6 mtt180 -66.39 -32.8 74.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.748 -0.66 . . . . 10.0 110.3 179.367 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -61.82 -33.02 73.39 Favored 'General case' 0 C--O 1.227 -0.089 0 CA-C-N 115.819 -0.628 . . . . 10.0 109.832 179.057 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -87.35 -46.81 9.33 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.588 -0.733 . . . . 10.0 110.175 179.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 19.3 mt -42.12 -50.39 4.77 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 113.059 0.762 . . . . 10.0 113.059 -179.177 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -55.28 -75.12 0.25 Allowed Glycine 0 CA--C 1.517 0.198 0 C-N-CA 120.735 -0.745 . . . . 10.0 112.385 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 421' ' ' PRO . . . . . 0.506 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 73.4 Cg_exo -52.22 -43.55 52.63 Favored 'Trans proline' 0 C--O 1.235 0.341 0 C-N-CA 123.251 2.634 . . . . 10.0 113.295 179.555 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 41.7 t -58.79 -52.27 62.16 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.22 0 O-C-N 123.254 0.346 . . . . 10.0 111.57 -179.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 12.6 m -64.54 -36.56 84.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.878 0.37 . . . . 10.0 110.747 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -59.71 -50.43 73.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.495 179.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 425' ' ' GLU . . . . . 0.506 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 12.0 pt-20 -76.12 -24.04 54.91 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.871 -0.331 . . . . 10.0 110.937 179.289 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -66.69 -42.6 86.21 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.848 -0.797 . . . . 10.0 108.848 178.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 32.9 m0 -65.31 -39.27 92.28 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.4 -0.593 . . . . 10.0 109.4 178.34 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -66.13 -39.9 90.22 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.171 -0.678 . . . . 10.0 109.171 178.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.36 -41.49 98.83 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 108.738 -0.838 . . . . 10.0 108.738 177.481 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 27.7 mt -58.84 -39.06 80.13 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 115.657 -0.702 . . . . 10.0 110.272 179.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -61.88 -42.05 98.6 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.128 -0.487 . . . . 10.0 109.931 178.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 36.5 mttp -67.35 -43.49 81.35 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.523 178.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -62.85 -51.19 67.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.692 -0.686 . . . . 10.0 110.695 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 9.0 p -59.33 -48.92 79.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.459 -0.337 . . . . 10.0 110.829 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 435' ' ' GLU . . . . . 0.451 ' OE1' ' HD2' ' D' ' 438' ' ' ARG . 11.9 mm-40 -61.75 -44.04 97.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.465 -0.334 . . . . 10.0 110.773 179.278 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -60.83 -47.32 91.79 Favored Glycine 0 N--CA 1.446 -0.66 0 N-CA-C 110.527 -1.029 . . . . 10.0 110.527 178.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 90.9 mt -62.21 -39.14 91.77 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 109.778 -0.453 . . . . 10.0 109.778 178.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 438' ' ' ARG . . . . . 0.451 ' HD2' ' OE1' ' D' ' 435' ' ' GLU . 60.6 mtt180 -64.56 -36.75 85.23 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 116.491 -0.322 . . . . 10.0 111.021 179.488 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -63.0 -30.64 71.76 Favored 'General case' 0 N--CA 1.456 -0.131 0 CA-C-O 121.192 0.52 . . . . 10.0 110.1 179.095 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -85.35 -39.76 17.27 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.01 -0.737 . . . . 10.0 109.01 178.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 85.7 mmm -63.51 -37.76 88.53 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 115.566 -0.743 . . . . 10.0 112.05 -179.277 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 442' ' ' SER . . . . . 0.453 ' O ' ' HG2' ' D' ' 446' ' ' GLU . 5.5 p -62.45 -46.3 89.12 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.24 0.543 . . . . 10.0 109.763 179.683 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 443' ' ' LYS . . . . . 0.525 ' O ' ' HB2' ' D' ' 447' ' ' GLU . 28.6 mtpp -70.1 -37.73 75.47 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.629 -0.714 . . . . 10.0 110.658 178.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -67.95 -53.4 26.56 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.921 -0.581 . . . . 10.0 111.98 -179.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 93.5 mt -62.77 -52.51 62.93 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.741 0.645 . . . . 10.0 112.741 -178.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 446' ' ' GLU . . . . . 0.453 ' HG2' ' O ' ' D' ' 442' ' ' SER . 6.7 mm-40 -59.84 -46.08 90.41 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-O 120.661 0.267 . . . . 10.0 111.068 -179.419 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 447' ' ' GLU . . . . . 0.819 ' HB3' HH21 ' A' ' 330' ' ' ARG . 1.3 tt0 -72.44 -24.84 61.27 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 120.897 -0.321 . . . . 10.0 111.069 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -65.29 -38.59 82.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 109.206 -0.665 . . . . 10.0 109.206 178.485 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 74.2 mttt -66.35 -32.71 74.28 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.899 -0.591 . . . . 10.0 109.598 178.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -90.35 6.62 42.37 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.793 -0.639 . . . . 10.0 111.629 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 451' ' ' LYS . . . . . 0.522 ' O ' ' HB2' ' D' ' 455' ' ' TYR . 37.9 mttp -125.82 -41.78 1.95 Allowed 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 111.97 0.359 . . . . 10.0 111.97 179.588 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 69.6 t -69.35 -39.28 78.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.388 -0.369 . . . . 10.0 110.347 179.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -58.09 -57.55 25.17 Favored Pre-proline 0 CA--C 1.542 0.646 0 CA-C-N 116.619 -0.264 . . . . 10.0 111.329 179.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -65.34 -25.47 56.63 Favored 'Trans proline' 0 C--N 1.357 1.021 0 C-N-CA 121.682 1.588 . . . . 10.0 111.623 178.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 455' ' ' TYR . . . . . 0.522 ' HB2' ' O ' ' D' ' 451' ' ' LYS . 0.9 OUTLIER -71.87 -43.48 65.38 Favored 'General case' 0 C--O 1.226 -0.184 0 N-CA-C 109.141 -0.688 . . . . 10.0 109.141 178.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 37.4 mt -66.49 -37.15 84.45 Favored 'General case' 0 C--O 1.223 -0.32 0 N-CA-C 109.128 -0.693 . . . . 10.0 109.128 178.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -64.46 -48.75 74.09 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.823 -0.626 . . . . 10.0 109.659 178.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -62.29 -41.17 98.27 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.028 178.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -65.22 -44.66 87.59 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.936 178.742 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -62.93 -35.6 80.66 Favored 'General case' 0 C--O 1.224 -0.259 0 CA-C-N 116.386 -0.37 . . . . 10.0 110.386 179.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 70.8 mttt -64.67 -37.81 88.86 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.423 -0.584 . . . . 10.0 109.423 178.171 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 7.9 mtmm -75.04 -38.54 61.39 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.843 -0.617 . . . . 10.0 109.656 178.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 37.3 m0 -65.58 -41.9 92.37 Favored 'General case' 0 C--O 1.222 -0.354 0 N-CA-C 109.399 -0.593 . . . . 10.0 109.399 178.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -63.82 -44.44 93.24 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.811 -0.811 . . . . 10.0 108.811 178.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 465' ' ' GLU . . . . . 0.659 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 1.0 OUTLIER -56.61 -55.37 34.86 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.355 -0.839 . . . . 10.0 109.436 178.446 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -62.75 -37.83 88.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.453 -0.794 . . . . 10.0 111.418 -179.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 467' ' ' MET . . . . . 0.464 ' HA ' ' CD2' ' D' ' 470' ' ' TYR . 53.2 ttm -61.06 -46.04 92.3 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 109.565 -0.531 . . . . 10.0 109.565 179.367 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -67.35 -34.46 77.35 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.144 -0.687 . . . . 10.0 109.144 178.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 469' ' ' LEU . . . . . 0.659 ' HG ' ' O ' ' D' ' 465' ' ' GLU . 84.4 mt -66.14 -28.2 68.61 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 115.75 -0.659 . . . . 10.0 110.234 178.781 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 470' ' ' TYR . . . . . 0.464 ' CD2' ' HA ' ' D' ' 467' ' ' MET . 14.2 m-85 -66.39 -29.62 69.83 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 108.425 -0.954 . . . . 10.0 108.425 177.483 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 471' ' ' ARG . . . . . 0.542 ' HA ' ' HG2' ' D' ' 475' ' ' GLU . 68.8 mtt180 -85.05 -17.74 36.52 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.53 -0.759 . . . . 10.0 110.152 179.286 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -96.06 -14.4 22.95 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.778 -0.646 . . . . 10.0 111.009 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 473' ' ' LYS . . . . . 0.532 ' HE2' ' HB2' ' A' ' 305' ' ' MET . 60.6 mttp -124.5 -64.62 1.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.359 -0.382 . . . . 10.0 111.768 -179.473 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 25.4 t -58.98 -41.7 83.98 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.328 0 N-CA-C 111.834 0.309 . . . . 10.0 111.834 -178.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 475' ' ' GLU . . . . . 0.542 ' HG2' ' HA ' ' D' ' 471' ' ' ARG . 41.6 mm-40 -59.16 -59.31 14.25 Favored Pre-proline 0 CA--C 1.541 0.618 0 N-CA-C 112.89 0.7 . . . . 10.0 112.89 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -62.39 -37.17 62.27 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 121.431 1.42 . . . . 10.0 111.028 178.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 30.9 mt -65.86 -30.22 70.8 Favored 'General case' 0 C--O 1.225 -0.203 0 CA-C-O 120.793 0.33 . . . . 10.0 110.307 179.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 6.8 ttt-85 -61.78 -37.33 83.93 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.072 -0.714 . . . . 10.0 109.072 178.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -75.44 -39.68 58.55 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.741 -0.663 . . . . 10.0 109.551 178.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.0 -43.73 98.46 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 109.18 -0.674 . . . . 10.0 109.18 178.61 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 96.2 mt -72.23 -27.52 62.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.417 -0.81 . . . . 10.0 110.537 179.023 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -67.98 -46.67 70.68 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 108.789 -0.819 . . . . 10.0 108.789 178.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.34 -37.85 86.29 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.854 -0.795 . . . . 10.0 108.854 177.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -63.56 -39.59 97.79 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 110.422 -1.071 . . . . 10.0 110.422 178.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -68.41 -41.66 80.12 Favored 'General case' 0 C--O 1.223 -0.321 0 N-CA-C 109.416 -0.587 . . . . 10.0 109.416 178.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 75.3 mtt180 -60.64 -42.78 97.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.294 -0.412 . . . . 10.0 110.032 178.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -67.49 -44.55 78.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.939 -0.573 . . . . 10.0 109.828 178.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 488' ' ' LYS . . . . . 0.468 ' HA ' ' OE1' ' D' ' 491' ' ' GLU . 59.2 tttt -60.31 -42.06 94.77 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.539 -0.541 . . . . 10.0 109.539 178.686 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 47.8 mt -62.44 -35.18 78.47 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.8 -0.636 . . . . 10.0 109.701 178.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 50.8 t60 -69.98 -42.17 73.48 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 108.892 -0.781 . . . . 10.0 108.892 178.126 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 491' ' ' GLU . . . . . 0.468 ' OE1' ' HA ' ' D' ' 488' ' ' LYS . 73.5 mt-10 -59.11 -42.56 90.81 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 108.594 -0.891 . . . . 10.0 108.594 178.275 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 85.0 mt -70.59 -41.01 72.89 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.368 -0.833 . . . . 10.0 110.611 179.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 493' ' ' GLN . . . . . 0.43 ' C ' ' H ' ' D' ' 495' ' ' LYS . 28.1 mt-30 -56.99 -49.17 76.59 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-O 120.637 0.256 . . . . 10.0 110.998 179.478 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -76.61 19.76 0.26 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.264 0.554 . . . . 10.0 111.484 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 495' ' ' LYS . . . . . 0.536 ' HE3' ' HB3' ' A' ' 279' ' ' LEU . 37.5 mttp -132.27 -49.9 0.93 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.601 -0.727 . . . . 10.0 109.612 178.258 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 496' ' ' LEU . . . . . 0.449 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 42.1 mt -63.58 -28.44 69.93 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.288 -0.414 . . . . 10.0 111.225 179.613 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 497' ' ' SER . . . . . 0.402 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 37.3 m -76.66 -61.05 0.79 Allowed Pre-proline 0 CA--C 1.539 0.52 0 C-N-CA 121.015 -0.274 . . . . 10.0 111.713 178.631 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 498' ' ' PRO . . . . . 0.402 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 31.7 Cg_endo -65.21 -50.31 2.12 Favored 'Trans proline' 0 C--N 1.356 0.953 0 C-N-CA 122.082 1.854 . . . . 10.0 111.87 179.599 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 499' ' ' LEU . . . . . 0.937 HD21 ' HG2' ' A' ' 275' ' ' LYS . 74.3 mt -70.56 -29.32 65.74 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 116.684 -0.234 . . . . 10.0 110.494 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 500' ' ' GLY . . . . . 0.449 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -62.52 -49.16 76.26 Favored Glycine 0 N--CA 1.448 -0.564 0 N-CA-C 110.723 -0.951 . . . . 10.0 110.723 179.135 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -71.08 -28.98 64.73 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.901 -0.407 . . . . 10.0 109.901 178.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 502' ' ' GLU . . . . . 0.536 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 32.8 tt0 -68.36 -46.49 69.96 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.113 -0.699 . . . . 10.0 109.113 178.542 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 503' ' ' MET . . . . . 0.41 ' HG2' ' O ' ' D' ' 499' ' ' LEU . 95.3 mmm -63.44 -36.99 85.58 Favored 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 109.059 -0.719 . . . . 10.0 109.059 178.355 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 504' ' ' ARG . . . . . 0.436 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 97.4 mtt180 -63.43 -44.15 95.4 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.09 -0.707 . . . . 10.0 109.09 177.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -62.53 -41.69 99.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.55 -0.75 . . . . 10.0 109.972 179.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 506' ' ' ARG . . . . . 0.536 ' HG3' ' O ' ' D' ' 502' ' ' GLU . 80.0 mtt180 -62.47 -47.58 83.38 Favored 'General case' 0 CA--C 1.522 -0.111 0 N-CA-C 108.416 -0.957 . . . . 10.0 108.416 178.04 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -57.95 -43.49 86.44 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.333 -0.849 . . . . 10.0 110.296 179.354 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 508' ' ' ARG . . . . . 0.436 ' HG3' ' O ' ' D' ' 504' ' ' ARG . 37.6 mtt180 -61.7 -41.74 98.0 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.918 -0.401 . . . . 10.0 109.918 178.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 509' ' ' ALA . . . . . 0.738 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -65.57 -35.87 82.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.77 179.476 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 510' ' ' HIS . . . . . 0.544 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 71.1 m-70 -75.55 -43.82 46.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.319 178.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 41.7 t -63.85 -43.28 97.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.178 179.289 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 512' ' ' ASP . . . . . 0.419 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 25.3 t70 -65.3 -32.52 74.22 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.732 -0.47 . . . . 10.0 109.732 179.413 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -66.02 -44.94 83.26 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 108.523 -0.917 . . . . 10.0 108.523 177.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 514' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' D' ' 510' ' ' HIS . 89.9 mt -59.15 -28.62 66.75 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.914 -0.584 . . . . 10.0 110.912 179.191 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 515' ' ' ARG . . . . . 0.476 ' O ' ' HB3' ' D' ' 519' ' ' ALA . 76.6 mtt180 -65.25 -30.4 71.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.042 0.449 . . . . 10.0 110.556 179.068 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 1.2 m -105.15 -7.26 19.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.294 0.568 . . . . 10.0 110.693 -179.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 517' ' ' HIS . . . . . 0.425 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 23.6 m170 -100.74 -59.31 1.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.953 -0.567 . . . . 10.0 111.382 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 81.7 mt -77.43 -51.48 10.71 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.708 0.633 . . . . 10.0 112.708 -178.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 519' ' ' ALA . . . . . 0.629 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -48.31 -59.39 6.08 Favored Pre-proline 0 CA--C 1.538 0.509 0 N-CA-C 113.789 1.033 . . . . 10.0 113.789 -178.53 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 520' ' ' PRO . . . . . 0.629 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 31.8 Cg_exo -64.68 -44.7 10.18 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 121.788 1.659 . . . . 10.0 111.882 179.531 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -61.31 -42.65 99.01 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 112.15 0.426 . . . . 10.0 112.15 -179.264 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 24.7 p -65.35 -30.22 71.03 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.895 0.379 . . . . 10.0 110.837 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 523' ' ' ASP . . . . . 0.61 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 6.6 t70 -74.83 -38.16 62.1 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.435 -0.58 . . . . 10.0 109.435 178.645 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -67.91 -33.18 74.21 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 107.798 -1.186 . . . . 10.0 107.798 176.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 525' ' ' LEU . . . . . 0.658 HD23 ' HD2' ' D' ' 528' ' ' ARG . 7.8 mt -66.17 -34.91 79.11 Favored 'General case' 0 C--O 1.217 -0.615 0 CA-C-N 114.988 -1.006 . . . . 10.0 108.806 177.396 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 526' ' ' ARG . . . . . 0.61 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 58.5 mtt180 -63.35 -34.57 77.99 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 109.48 -0.563 . . . . 10.0 109.48 178.58 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -67.18 -40.22 86.53 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 108.34 -0.985 . . . . 10.0 108.34 178.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 528' ' ' ARG . . . . . 0.672 ' CZ ' ' HA ' ' A' ' 246' ' ' ASP . 93.7 mtt180 -67.83 -39.84 83.84 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.733 -0.84 . . . . 10.0 108.733 178.04 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 529' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' D' ' 525' ' ' LEU . 97.5 mt -61.93 -39.31 91.6 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.895 -0.593 . . . . 10.0 109.66 178.633 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 530' ' ' ALA . . . . . 0.46 ' O ' ' HB2' ' D' ' 534' ' ' GLU . . . -65.24 -37.49 87.43 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.663 -0.699 . . . . 10.0 109.893 178.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -71.1 -40.32 71.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.986 -0.552 . . . . 10.0 109.567 178.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 532' ' ' ARG . . . . . 0.465 ' O ' ' HG ' ' D' ' 536' ' ' LEU . 1.3 mtt180 -64.49 -48.94 73.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.807 -0.633 . . . . 10.0 109.453 178.371 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 79.7 mt -64.41 -28.23 69.54 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.057 179.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 534' ' ' GLU . . . . . 0.46 ' HB2' ' O ' ' D' ' 530' ' ' ALA . 23.4 tt0 -64.66 -48.57 74.29 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 108.423 -0.954 . . . . 10.0 108.423 178.116 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -68.11 -37.29 80.99 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.674 -0.694 . . . . 10.0 109.723 178.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 536' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' D' ' 532' ' ' ARG . 93.1 mt -66.98 -26.33 66.76 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.849 -0.614 . . . . 10.0 110.696 179.349 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -83.1 -41.34 18.69 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.14 -0.689 . . . . 10.0 109.14 178.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -62.43 -51.64 66.72 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 109.199 -0.667 . . . . 10.0 109.199 178.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -71.53 -30.31 65.77 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.574 179.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -65.12 -51.74 47.63 Favored Glycine 0 N--CA 1.447 -0.624 0 CA-C-N 115.88 -0.6 . . . . 10.0 111.642 179.465 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -62.28 -37.35 94.43 Favored Glycine 0 N--CA 1.448 -0.522 0 N-CA-C 111.049 -0.82 . . . . 10.0 111.049 179.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -67.57 -51.04 55.34 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.945 -0.391 . . . . 10.0 109.945 178.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 56.3 mtt180 -61.69 -32.2 72.38 Favored 'General case' 0 C--O 1.223 -0.303 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.944 179.548 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 544' ' ' LEU . . . . . 0.534 ' O ' ' HB2' ' D' ' 548' ' ' HIS . 27.0 mt -62.9 -41.41 99.42 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.247 -0.649 . . . . 10.0 109.247 178.359 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -71.86 -41.69 67.79 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.819 -0.628 . . . . 10.0 109.519 178.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -62.8 -48.88 77.19 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.878 179.529 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -67.61 -36.27 80.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.326 -0.397 . . . . 10.0 111.004 179.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 548' ' ' HIS . . . . . 0.534 ' HB2' ' O ' ' D' ' 544' ' ' LEU . 0.2 OUTLIER -67.17 -44.59 79.33 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 109.248 -0.649 . . . . 10.0 109.248 178.48 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -61.49 -45.5 93.97 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 109.137 -0.69 . . . . 10.0 109.137 178.463 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 550' ' ' LYS . . . . . 0.649 ' HD3' HG22 ' A' ' 224' ' ' VAL . 0.0 OUTLIER -64.43 -30.18 71.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.71 -0.677 . . . . 10.0 110.662 179.133 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -65.9 -42.9 89.63 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.687 -0.486 . . . . 10.0 109.687 178.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.6 -43.33 97.23 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.174 -0.676 . . . . 10.0 109.174 178.273 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -64.74 -41.33 96.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.416 -0.811 . . . . 10.0 109.911 179.202 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 62.6 t60 -64.12 -46.55 83.66 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.059 179.05 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 23.2 tp -61.85 -43.25 99.22 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.368 -0.378 . . . . 10.0 111.172 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 3.7 p -66.48 -40.01 89.07 Favored 'General case' 0 C--O 1.225 -0.202 0 C-N-CA 121.131 -0.228 . . . . 10.0 110.664 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 33.2 m -69.58 -33.16 72.33 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.168 0.508 . . . . 10.0 110.279 179.145 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 14.2 mt -72.07 -50.57 27.21 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.923 -0.581 . . . . 10.0 110.394 178.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 559' ' ' SER . . . . . 0.451 ' HA ' ' HB3' ' D' ' 562' ' ' ALA . 9.0 p -63.39 -31.19 72.27 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.87 0.367 . . . . 10.0 110.628 179.668 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -56.62 -32.28 65.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.293 -0.867 . . . . 10.0 110.746 178.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 561' ' ' LYS . . . . . 0.423 ' C ' ' HD2' ' D' ' 564' ' ' PRO . 51.9 mttp -109.29 -23.22 11.69 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 116.236 -0.438 . . . . 10.0 111.438 179.436 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 562' ' ' ALA . . . . . 0.451 ' HB3' ' HA ' ' D' ' 559' ' ' SER . . . -59.06 -48.58 81.09 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-O 120.725 0.298 . . . . 10.0 111.143 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 563' ' ' LYS . . . . . 0.787 ' HB2' ' HD3' ' D' ' 564' ' ' PRO . 87.0 mttt -58.63 -58.33 20.03 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.009 -0.541 . . . . 10.0 111.523 179.538 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 564' ' ' PRO . . . . . 0.787 ' HD3' ' HB2' ' D' ' 563' ' ' LYS . 53.2 Cg_exo -59.59 -37.59 87.46 Favored 'Trans proline' 0 C--N 1.359 1.082 0 C-N-CA 122.234 1.956 . . . . 10.0 111.868 178.664 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -62.46 -49.52 75.11 Favored 'General case' 0 CA--C 1.514 -0.431 0 N-CA-C 110.172 -0.307 . . . . 10.0 110.172 179.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 22.5 mt -58.29 -48.28 81.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.203 179.025 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -61.35 -49.86 75.24 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.995 -0.548 . . . . 10.0 111.755 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -62.96 -42.77 99.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.854 0.359 . . . . 10.0 110.861 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 37.5 mt -60.87 -44.36 97.15 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 109.667 -0.494 . . . . 10.0 109.667 179.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 75.7 mtt180 -63.43 -43.1 98.42 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.945 0.402 . . . . 10.0 110.142 178.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -63.32 -25.68 68.41 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.588 -0.733 . . . . 10.0 111.368 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -92.82 -36.77 5.96 Favored Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 111.17 -0.772 . . . . 10.0 111.17 179.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 21.2 mt -64.27 -42.39 96.47 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.167 0.432 . . . . 10.0 112.167 -179.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 61.8 mt -53.34 -60.67 6.39 Favored Pre-proline 0 CA--C 1.535 0.389 0 N-CA-C 112.803 0.668 . . . . 10.0 112.803 -179.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -65.07 -39.79 22.65 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 121.917 1.745 . . . . 10.0 111.817 179.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 7.7 t -60.9 -41.26 88.17 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-O 120.843 0.354 . . . . 10.0 110.83 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 20.0 mt -64.5 -34.99 79.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.123 178.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 578' ' ' GLU . . . . . 0.424 ' O ' HG23 ' D' ' 582' ' ' VAL . 78.3 mm-40 -66.93 -40.7 87.67 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 108.789 -0.819 . . . . 10.0 108.789 178.17 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 2.7 m -65.51 -38.4 89.57 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 108.745 -0.835 . . . . 10.0 108.745 178.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 2.3 m-30 -62.6 -41.32 98.9 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.678 -0.692 . . . . 10.0 110.183 178.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -63.26 -41.39 99.04 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.106 -0.701 . . . . 10.0 109.106 178.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 582' ' ' VAL . . . . . 0.424 HG23 ' O ' ' D' ' 578' ' ' GLU . 53.1 t -61.34 -48.52 88.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.612 -0.722 . . . . 10.0 110.473 179.139 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 1.2 p -66.79 -40.25 88.08 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.123 -0.49 . . . . 10.0 111.375 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -62.79 -48.28 79.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.017 179.038 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 70.5 mt -60.0 -50.02 75.39 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.891 -0.595 . . . . 10.0 111.424 -179.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 7.5 p -62.96 -31.73 72.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.698 0.285 . . . . 10.0 111.4 -179.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 587' ' ' ALA . . . . . 0.448 ' HB2' ' HG2' ' A' ' 396' ' ' LYS . . . -75.69 -54.26 7.24 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.712 0.292 . . . . 10.0 110.413 178.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 94.4 mt -56.79 -45.33 82.25 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.004 -0.544 . . . . 10.0 112.087 -179.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 589' ' ' GLU . . . . . 0.481 ' O ' ' HG3' ' D' ' 593' ' ' LYS . 24.2 mt-10 -58.74 -43.78 90.35 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.512 -0.313 . . . . 10.0 111.301 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -74.82 -35.26 62.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.494 -0.321 . . . . 10.0 111.415 -179.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -61.07 -43.4 98.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.037 0.446 . . . . 10.0 109.804 178.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 4.8 m -71.76 -10.0 59.12 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 115.721 -0.672 . . . . 10.0 111.231 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 593' ' ' LYS . . . . . 0.481 ' HG3' ' O ' ' D' ' 589' ' ' GLU . 90.0 mttt -88.76 -46.25 9.13 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.106 0.479 . . . . 10.0 109.907 178.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 594' ' ' LYS . . . . . 0.57 ' HE2' ' HB3' ' A' ' 388' ' ' SER . 11.1 mptt -75.72 -40.03 56.3 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.854 -0.612 . . . . 10.0 111.848 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 82.3 mt -93.11 33.39 1.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.119 0.485 . . . . 10.0 110.557 179.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 . . . . . 0 C--N 1.325 -0.468 0 CA-C-N 115.921 -0.582 . . . . 10.0 111.095 -179.746 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 4.2 m . . . . . 0 CA--C 1.53 0.203 0 CA-C-O 121.135 0.493 . . . . 10.0 110.792 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.87 121.89 39.08 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.104 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.499 ' HG3' HD23 ' B' ' 52' ' ' LEU . 24.3 tt0 -97.82 132.64 43.24 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.386 179.632 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -121.28 114.67 21.7 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.412 -0.358 . . . . 10.0 110.089 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.793 ' HA ' ' HB3' ' B' ' 54' ' ' ASP . 52.3 mttm -81.62 107.82 14.68 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.444 -0.343 . . . . 10.0 110.168 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 8.6 mt -116.42 126.95 54.15 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.154 -0.475 . . . . 10.0 111.132 -178.321 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 88.6 t -107.88 131.44 58.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.725 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 11.8 t -90.85 120.05 39.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 108.84 -0.8 . . . . 10.0 108.84 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.415 HG23 ' HA ' ' B' ' 80' ' ' CYS . 13.9 m -116.52 144.64 23.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 120.87 0.367 . . . . 10.0 111.688 -179.704 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 154.9 167.8 17.2 Favored Glycine 0 N--CA 1.447 -0.597 0 N-CA-C 111.456 -0.657 . . . . 10.0 111.456 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.17 171.36 11.14 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 121.131 0.491 . . . . 10.0 111.437 -179.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -84.33 123.79 30.56 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.115 0.484 . . . . 10.0 111.238 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 116.65 -9.69 16.58 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.683 -0.77 . . . . 10.0 112.596 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 17.2 m -78.73 -9.61 12.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.956 0.408 . . . . 10.0 111.105 179.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 97.38 32.97 6.11 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 121.054 -0.593 . . . . 10.0 111.682 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . 0.478 ' HB3' ' OD1' ' B' ' 57' ' ' ASP . 6.9 mmmm -52.48 -57.83 8.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.094 0.473 . . . . 10.0 111.313 -179.761 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.43 -28.17 41.71 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.724 -0.671 . . . . 10.0 111.474 -179.083 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.12 -47.67 82.58 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.45 -0.341 . . . . 10.0 111.281 -179.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 79.7 mt -65.03 -39.15 92.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.185 0.517 . . . . 10.0 110.75 179.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . 0.412 ' O ' HG12 ' B' ' 24' ' ' ILE . 21.5 m -65.08 -51.56 60.69 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.877 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.44 -36.22 71.68 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 CA-C-N 116.603 -0.271 . . . . 10.0 111.485 -179.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' GLN . . . . . 0.635 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 0.4 OUTLIER -66.62 -24.89 66.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.985 0.421 . . . . 10.0 110.806 179.514 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 18.2 tp -91.28 -35.3 14.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.458 -0.337 . . . . 10.0 110.964 179.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.412 HG12 ' O ' ' B' ' 20' ' ' THR . 47.5 mm -81.49 -61.45 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 112.283 0.475 . . . . 10.0 112.283 -179.432 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -91.03 -11.37 38.99 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.342 -0.39 . . . . 10.0 111.977 -178.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . 0.635 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 42.8 m-80 71.1 19.98 5.34 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 114.187 1.18 . . . . 10.0 114.187 178.058 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -131.35 156.86 44.79 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.483 -0.487 . . . . 10.0 111.684 179.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -95.17 130.79 41.75 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.259 -179.125 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 2.0 m -91.89 116.33 32.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.191 -0.458 . . . . 10.0 110.521 179.179 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -94.73 18.21 12.08 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.353 0.597 . . . . 10.0 109.814 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -126.96 130.08 49.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.718 -0.674 . . . . 10.0 110.692 -179.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . 0.449 ' HE2' ' HG3' ' B' ' 34' ' ' PRO . 63.9 t80 -59.84 142.25 53.81 Favored 'General case' 0 C--O 1.237 0.402 0 O-C-N 123.368 0.418 . . . . 10.0 111.342 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -146.21 105.14 4.1 Favored Pre-proline 0 C--O 1.236 0.383 0 CA-C-N 115.887 -0.597 . . . . 10.0 111.4 -179.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' PRO . . . . . 0.449 ' HG3' ' HE2' ' B' ' 32' ' ' TYR . 12.0 Cg_exo -71.1 79.2 1.39 Allowed 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.914 2.409 . . . . 10.0 111.32 179.577 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.3 111.23 5.08 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.56 -0.746 . . . . 10.0 111.177 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.598 ' HA ' ' HB2' ' B' ' 59' ' ' ALA . 45.8 mm -78.14 -49.19 21.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.546 -0.538 . . . . 10.0 109.546 179.514 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . 0.579 ' HG2' HD11 ' B' ' 56' ' ' LEU . 4.6 tt0 -174.08 101.67 0.1 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.811 -0.631 . . . . 10.0 110.406 179.32 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -133.12 136.27 45.71 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.419 -0.585 . . . . 10.0 109.419 179.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 2.2 m -105.28 146.81 28.82 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.815 0.341 . . . . 10.0 111.489 -178.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -134.04 123.04 23.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.118 -179.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.509 ' HD2' ' OD2' ' B' ' 54' ' ' ASP . 0.8 OUTLIER -101.73 128.24 48.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.172 -0.467 . . . . 10.0 111.399 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 47.6 tttp -142.2 122.75 14.13 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.141 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -100.24 125.6 46.44 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.616 -0.513 . . . . 10.0 109.616 179.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -141.14 166.22 18.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 120.936 0.398 . . . . 10.0 111.211 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 15.8 t -96.99 107.47 19.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.779 -0.646 . . . . 10.0 109.707 179.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . 0.783 HD13 HG21 ' B' ' 160' ' ' VAL . 37.5 mt -117.89 126.87 75.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.2 -0.455 . . . . 10.0 110.083 -179.38 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . 0.526 ' HA ' ' HD2' ' C' ' 128' ' ' LYS . 9.6 m-20 63.77 14.23 8.09 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 115.909 -0.587 . . . . 10.0 111.988 179.551 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 98.88 3.09 57.11 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.905 -0.664 . . . . 10.0 112.435 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -117.19 143.34 45.96 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.897 0.349 . . . . 10.0 111.094 -179.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -85.2 105.86 16.21 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 109.054 -0.721 . . . . 10.0 109.054 178.431 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 3.3 m -116.88 147.46 42.17 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.315 -0.402 . . . . 10.0 111.513 -178.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.499 HD23 ' HG3' ' B' ' 3' ' ' GLU . 18.0 tp -105.6 116.34 31.77 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.344 -0.613 . . . . 10.0 109.344 178.495 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 53.2 mt -88.69 122.47 32.15 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.323 -0.399 . . . . 10.0 110.928 -179.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . 0.793 ' HB3' ' HA ' ' B' ' 5' ' ' LYS . 18.3 t70 -99.69 88.95 3.96 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.408 -0.96 . . . . 10.0 108.408 178.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' ILE . . . . . 0.406 HD12 HD11 ' B' ' 24' ' ' ILE . 20.1 mt -86.41 137.93 19.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.058 0.456 . . . . 10.0 111.331 -178.168 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.579 HD11 ' HG2' ' B' ' 37' ' ' GLU . 66.2 tp -137.04 111.16 8.34 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.879 -0.6 . . . . 10.0 110.572 179.632 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . 0.478 ' OD1' ' HB3' ' B' ' 16' ' ' LYS . 28.6 t0 -84.27 124.8 31.61 Favored 'General case' 0 CA--C 1.519 -0.227 0 N-CA-C 109.501 -0.555 . . . . 10.0 109.501 179.181 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 40.6 p -102.1 147.69 26.3 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.248 -179.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' ALA . . . . . 0.598 ' HB2' ' HA ' ' B' ' 36' ' ' ILE . . . -68.18 104.36 1.79 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.214 0.53 . . . . 10.0 111.029 179.315 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -82.86 35.29 2.72 Favored Glycine 0 N--CA 1.454 -0.13 0 C-N-CA 121.033 -0.604 . . . . 10.0 112.446 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -99.76 10.11 41.89 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.08 0.467 . . . . 10.0 110.935 -179.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.711 ' HG3' ' H ' ' B' ' 63' ' ' GLU . 3.4 tp10 65.1 -166.81 0.22 Allowed 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.524 -0.762 . . . . 10.0 112.595 178.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . 0.711 ' H ' ' HG3' ' B' ' 62' ' ' GLU . 0.5 OUTLIER 77.02 -10.14 1.4 Allowed 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.782 0.833 . . . . 10.0 112.193 -179.611 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' TYR . . . . . 0.52 ' HE2' ' HB3' ' B' ' 59' ' ' ALA . 21.4 m-30 -93.26 109.16 20.69 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.914 0.388 . . . . 10.0 111.825 -179.333 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 2.6 p -108.34 -65.21 1.14 Allowed 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.018 -0.734 . . . . 10.0 109.018 178.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.63 -34.65 60.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.58 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 26.5 ttt -62.43 -39.23 92.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.27 -0.423 . . . . 10.0 111.11 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' ARG . . . . . 0.626 ' HA ' ' CZ ' ' B' ' 71' ' ' TYR . 7.3 ttp180 -69.74 -34.66 74.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.695 -0.684 . . . . 10.0 111.054 -179.622 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -57.61 -37.68 73.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.423 -0.808 . . . . 10.0 112.255 -179.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -58.19 -66.17 0.53 Allowed 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.88 0.696 . . . . 10.0 112.88 -178.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 71' ' ' TYR . . . . . 0.626 ' CZ ' ' HA ' ' B' ' 68' ' ' ARG . 5.1 p90 -67.12 -20.49 65.78 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.847 0.684 . . . . 10.0 112.847 -178.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 22.9 mtt -67.87 -36.8 80.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.766 0.317 . . . . 10.0 110.734 179.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . 0.718 ' HG3' HG12 ' B' ' 103' ' ' VAL . 6.6 mtm180 -76.04 -37.4 58.39 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.974 0.416 . . . . 10.0 110.776 179.359 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 4.3 m -71.8 -36.32 70.25 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.749 -0.659 . . . . 10.0 111.587 -179.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.5 145.26 48.44 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.811 -0.709 . . . . 10.0 112.358 -179.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -103.0 -39.06 7.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.907 0.384 . . . . 10.0 110.221 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -121.48 139.82 13.41 Favored Glycine 0 N--CA 1.447 -0.63 0 N-CA-C 111.04 -0.824 . . . . 10.0 111.04 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -125.67 128.92 48.57 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.008 0.433 . . . . 10.0 111.126 -179.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.483 HD13 HD22 ' B' ' 159' ' ' LEU . 9.8 tp -109.43 114.33 27.89 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.684 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . 0.7 ' HB3' HD12 ' B' ' 93' ' ' ILE . 10.8 m -84.28 99.51 10.63 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 120.976 0.417 . . . . 10.0 110.113 179.637 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 49.0 t -98.08 128.83 49.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.599 -0.728 . . . . 10.0 110.008 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 82' ' ' PHE . . . . . 0.458 ' HB3' HD11 ' B' ' 93' ' ' ILE . 30.6 p90 -141.9 156.34 45.5 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.548 179.588 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -98.67 128.87 45.09 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.076 -0.713 . . . . 10.0 109.076 178.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . 0.674 HD11 ' HA ' ' B' ' 118' ' ' CYS . 26.0 pt -66.53 -12.09 14.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 120.767 0.318 . . . . 10.0 111.349 -179.615 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -95.9 9.55 40.22 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.822 -0.626 . . . . 10.0 110.813 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.415 ' OD1' ' HB3' ' B' ' 88' ' ' LYS . 26.5 t-20 -140.45 106.65 5.24 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.4 179.607 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.69 -33.13 75.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 10.0 112.29 -179.285 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . 0.415 ' HB3' ' OD1' ' B' ' 86' ' ' ASN . 26.0 tptp -54.81 -47.39 74.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.021 0.439 . . . . 10.0 110.839 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 19.9 m -63.57 -25.43 68.24 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.988 -0.551 . . . . 10.0 112.348 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -75.51 -38.52 59.38 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.154 0.502 . . . . 10.0 110.569 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -75.12 -32.35 61.37 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.425 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.53 -28.28 69.21 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.764 -0.653 . . . . 10.0 111.378 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 93' ' ' ILE . . . . . 0.7 HD12 ' HB3' ' B' ' 80' ' ' CYS . 41.4 mm -54.33 -43.33 61.71 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.174 179.429 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 69.5 t60 -59.05 -52.19 66.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.044 -0.526 . . . . 10.0 111.259 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 72.8 m-70 -64.76 -33.39 75.86 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.042 -0.527 . . . . 10.0 111.604 -178.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -68.03 -47.84 67.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.598 -0.274 . . . . 10.0 110.297 178.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 17.3 ttt180 -58.55 -47.96 82.49 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.594 179.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -62.34 -39.2 92.31 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.783 -0.644 . . . . 10.0 111.155 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 99' ' ' GLN . . . . . 0.521 ' O ' HG23 ' B' ' 103' ' ' VAL . 44.1 tt0 -66.37 -50.82 62.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.13 -0.486 . . . . 10.0 111.151 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 73.6 mt -57.93 -39.28 70.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-O 120.773 0.321 . . . . 10.0 110.788 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 101' ' ' LYS . . . . . 0.403 ' HB2' ' HE3' ' B' ' 101' ' ' LYS . 22.9 mtmt -63.43 -31.18 72.27 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.121 0.486 . . . . 10.0 111.496 179.604 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? -80.18 -35.59 36.21 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.33 -0.395 . . . . 10.0 110.501 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 103' ' ' VAL . . . . . 0.718 HG12 ' HG3' ' B' ' 73' ' ' ARG . 57.6 t -68.45 -57.77 8.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.306 -0.407 . . . . 10.0 111.8 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 30.9 mtpp -81.37 -12.61 58.93 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 111.865 0.32 . . . . 10.0 111.865 -178.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 33.6 t0 58.59 56.75 4.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.244 0.545 . . . . 10.0 112.183 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 8.1 t -154.14 128.77 9.3 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.745 -0.661 . . . . 10.0 109.696 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -78.02 -43.78 28.46 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.316 -0.402 . . . . 10.0 111.156 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -91.35 105.48 17.81 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.232 0.539 . . . . 10.0 111.548 -179.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 95.5 t -133.76 129.71 20.41 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 115.473 -0.785 . . . . 10.0 109.657 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -59.04 106.71 0.31 Allowed 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.908 2.405 . . . . 10.0 112.443 179.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 65.1 mtm -132.26 150.41 52.16 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.357 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 98.5 t -129.77 132.7 65.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 109.53 -0.544 . . . . 10.0 109.53 179.276 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 15.9 tp -82.72 114.62 21.19 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.056 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 97.5 t -105.26 107.35 22.4 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 N-CA-C 112.606 0.595 . . . . 10.0 112.606 -178.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -92.97 105.3 3.29 Favored Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 108.834 -1.707 . . . . 10.0 108.834 177.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 34.3 t-20 -99.36 154.39 18.23 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 112.534 0.568 . . . . 10.0 112.534 -177.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 4.9 mtmm 74.5 38.1 0.52 Allowed 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.15 -0.932 . . . . 10.0 112.99 179.234 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 118' ' ' CYS . . . . . 0.674 ' HA ' HD11 ' B' ' 84' ' ' ILE . 56.6 m -75.34 -9.48 58.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.913 -0.585 . . . . 10.0 112.257 179.71 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -86.67 -10.72 53.16 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.968 0.414 . . . . 10.0 111.258 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 62.6 mt -89.88 137.43 28.3 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 116.233 -0.44 . . . . 10.0 110.345 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -72.72 163.88 37.18 Favored 'Trans proline' 0 C--O 1.235 0.348 0 C-N-CA 122.876 2.384 . . . . 10.0 112.802 -179.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 1.8 m 55.56 71.0 0.58 Allowed 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.85 -0.614 . . . . 10.0 112.459 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -88.75 137.33 32.42 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.822 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.93 -51.58 13.41 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.198 -0.456 . . . . 10.0 110.921 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 76.5 t -86.46 112.96 23.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.121 -0.696 . . . . 10.0 109.121 178.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -74.45 149.89 40.18 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.067 -0.515 . . . . 10.0 109.924 -179.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.39 -28.33 66.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.107 0.479 . . . . 10.0 109.88 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 128' ' ' LYS . . . . . 0.542 ' HB3' ' HA ' ' C' ' 47' ' ' ASP . 15.0 mttp -59.2 -58.63 7.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.311 -0.859 . . . . 10.0 111.133 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . 0.445 ' HA ' ' HB3' ' B' ' 132' ' ' ASP . 2.0 pt20 -68.28 -26.93 65.9 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 112.452 0.538 . . . . 10.0 112.452 -179.323 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.42 -47.08 83.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.03 0.443 . . . . 10.0 110.313 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -79.59 -24.93 41.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.722 179.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 132' ' ' ASP . . . . . 0.445 ' HB3' ' HA ' ' B' ' 129' ' ' GLN . 20.9 t0 -64.58 -42.57 95.54 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.707 -0.678 . . . . 10.0 110.629 179.499 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 17.1 tp -69.39 -32.41 71.41 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.616 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -71.29 -19.92 62.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.95 -0.568 . . . . 10.0 112.061 -179.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 135' ' ' ARG . . . . . 0.454 ' HA ' ' HE2' ' C' ' 165' ' ' LYS . 34.5 mtm105 -56.79 -60.96 2.79 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.228 0.455 . . . . 10.0 112.228 -179.513 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 2.6 m -68.37 -18.84 64.57 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.804 -0.635 . . . . 10.0 112.525 -178.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 17.2 m-30 -82.22 -38.91 23.85 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.948 -0.301 . . . . 10.0 110.813 179.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 93.23 11.13 58.87 Favored Glycine 0 C--N 1.332 0.318 0 C-N-CA 121.038 -0.601 . . . . 10.0 112.379 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 44.3 pt -102.59 156.38 35.35 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-O 120.499 0.19 . . . . 10.0 110.82 -179.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -88.44 158.0 6.63 Favored 'Trans proline' 0 N--CA 1.457 -0.653 0 C-N-CA 122.755 2.303 . . . . 10.0 112.274 179.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -133.57 132.75 41.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.849 -0.614 . . . . 10.0 110.184 179.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 3.5 mp -130.59 139.12 52.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.408 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -77.37 136.55 38.44 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.581 -0.896 . . . . 10.0 108.581 178.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -136.83 153.66 50.73 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 113.344 0.868 . . . . 10.0 113.344 -178.201 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 15.7 t -153.65 117.96 4.87 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.807 -1.088 . . . . 10.0 108.287 178.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -79.79 -16.12 56.13 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.003 0.43 . . . . 10.0 110.701 -179.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 72.4 tttt -72.02 -32.73 67.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.833 -0.621 . . . . 10.0 110.658 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 2.0 p -115.95 -10.34 11.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.306 -0.406 . . . . 10.0 110.965 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 3.9 mtt-85 66.87 25.51 9.49 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 115.525 -0.761 . . . . 10.0 111.956 -179.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -75.03 118.63 18.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.298 -0.41 . . . . 10.0 111.55 -179.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 66.81 13.32 61.2 Favored Glycine 0 C--N 1.335 0.474 0 CA-C-N 115.975 -0.557 . . . . 10.0 114.191 178.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 41.8 t -67.9 -56.3 13.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 112.564 0.579 . . . . 10.0 112.564 -178.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.15 -38.41 90.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.654 0.264 . . . . 10.0 110.942 -178.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -63.11 -38.53 91.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.349 -0.387 . . . . 10.0 111.613 -179.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -59.37 -40.23 85.82 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.814 0.34 . . . . 10.0 110.438 179.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -69.3 -38.66 78.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.831 179.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 19.0 m-30 -68.42 -33.3 73.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.886 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 32.5 m -61.88 -37.1 83.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.069 179.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 159' ' ' LEU . . . . . 0.483 HD22 HD13 ' B' ' 79' ' ' LEU . 54.0 tp -62.07 -39.68 93.23 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.448 179.484 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 160' ' ' VAL . . . . . 0.783 HG21 HD13 ' B' ' 46' ' ' ILE . 3.4 t -68.85 -38.61 78.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.232 179.595 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 1.7 tpp180 -59.02 -40.46 85.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.681 -0.691 . . . . 10.0 111.068 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -64.02 -36.66 84.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 10.0 111.176 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 69.2 mt -68.22 -40.18 82.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.131 -0.486 . . . . 10.0 109.722 179.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 164' ' ' ARG . . . . . 0.404 ' HG3' ' O ' ' B' ' 160' ' ' VAL . 57.0 mtp180 -66.5 -32.97 74.67 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.337 0.589 . . . . 10.0 110.317 179.372 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt . . . . . 0 C--N 1.324 -0.503 0 CA-C-N 115.749 -0.659 . . . . 10.0 110.017 178.916 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 13.3 m . . . . . 0 C--O 1.237 0.429 0 CA-C-O 121.022 0.439 . . . . 10.0 111.005 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 1.2 m -93.87 125.8 38.7 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.421 -179.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -93.93 134.48 36.27 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 116.403 -0.362 . . . . 10.0 110.109 179.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -123.19 116.95 24.25 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.611 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 58.2 mttm -87.96 106.66 18.27 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.037 -0.529 . . . . 10.0 109.669 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 14.8 mt -111.74 131.57 55.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.96 -0.564 . . . . 10.0 111.527 -178.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 32.4 t -116.78 127.99 74.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.288 -0.415 . . . . 10.0 110.163 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.428 HG12 ' HD2' ' C' ' 16' ' ' LYS . 6.4 t -91.89 113.25 26.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 109.152 -0.685 . . . . 10.0 109.152 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 18.0 m -113.25 151.99 15.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.208 0.528 . . . . 10.0 111.604 -178.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 156.28 178.08 30.08 Favored Glycine 0 N--CA 1.446 -0.648 0 N-CA-C 111.329 -0.708 . . . . 10.0 111.329 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . 0.414 ' HB3' ' HB3' ' C' ' 89' ' ' SER . . . -75.3 154.26 37.47 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.266 0.555 . . . . 10.0 111.385 -179.578 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -68.81 111.69 5.04 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.573 -0.739 . . . . 10.0 110.991 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.5 -0.89 14.11 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.481 -0.866 . . . . 10.0 113.812 178.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 33.6 m -76.46 -25.0 16.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.997 0.398 . . . . 10.0 111.74 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 108.3 30.87 3.7 Favored Glycine 0 CA--C 1.52 0.403 0 C-N-CA 120.558 -0.829 . . . . 10.0 113.167 179.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . 0.428 ' HD2' HG12 ' C' ' 8' ' ' VAL . 27.3 mtmt -62.46 -37.04 84.39 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.01 0.433 . . . . 10.0 110.974 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 3.7 m -73.83 -44.3 56.09 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.281 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.24 -48.72 78.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.949 -0.569 . . . . 10.0 111.553 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 60.7 mt -59.27 -47.67 84.5 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.903 0.383 . . . . 10.0 111.134 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 10.1 m -64.16 -45.9 86.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 10.0 111.693 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.23 -32.44 54.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.553 0.216 . . . . 10.0 110.842 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 22' ' ' GLN . . . . . 0.544 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 6.3 mm-40 -64.07 -22.3 66.87 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 112.266 0.469 . . . . 10.0 112.266 179.624 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 22.2 tp -103.18 -34.73 8.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.943 0.402 . . . . 10.0 110.612 179.173 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 24' ' ' ILE . . . . . 0.528 HD11 HD12 ' C' ' 55' ' ' ILE . 41.3 mm -74.99 -62.9 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.096 -0.502 . . . . 10.0 111.929 -179.46 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -93.91 -17.8 22.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.908 0.385 . . . . 10.0 110.82 -179.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 26' ' ' ASN . . . . . 0.544 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 0.7 OUTLIER 70.31 41.94 0.98 Allowed 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 114.099 1.148 . . . . 10.0 114.099 177.931 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 12.4 p80 -150.14 160.27 43.79 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 110.096 -0.335 . . . . 10.0 110.096 178.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -106.21 142.43 35.91 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.742 0.306 . . . . 10.0 111.297 -178.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 2.4 m -119.26 128.52 75.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.307 179.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -88.96 -24.81 22.33 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.27 0.557 . . . . 10.0 110.495 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -72.8 149.77 43.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.873 -0.603 . . . . 10.0 110.561 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -97.71 127.23 43.51 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.329 0.492 . . . . 10.0 112.329 -179.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -132.31 98.65 16.72 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.08 179.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -53.3 119.36 6.03 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 123.159 2.573 . . . . 10.0 111.956 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.6 116.72 29.25 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.293 -179.631 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . 0.419 ' HA ' ' HB2' ' C' ' 59' ' ' ALA . 51.4 mm -75.95 -49.34 26.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 108.48 -0.933 . . . . 10.0 108.48 178.178 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 37' ' ' GLU . . . . . 0.675 ' HG3' HG22 ' C' ' 58' ' ' THR . 22.3 tt0 -176.65 96.61 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 114.926 -1.034 . . . . 10.0 109.892 178.755 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -116.25 147.01 41.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.014 -0.539 . . . . 10.0 110.124 -179.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 39' ' ' SER . . . . . 0.42 ' HB2' ' NH1' ' C' ' 41' ' ' ARG . 5.3 p -127.05 141.51 51.76 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.775 0.321 . . . . 10.0 111.213 -179.566 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -133.3 140.33 47.38 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.665 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . 0.5 ' HA ' ' O ' ' C' ' 53' ' ' LEU . 2.1 mpp_? -113.74 135.64 53.72 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.817 0.341 . . . . 10.0 110.845 179.682 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 41.1 tttp -148.75 130.68 15.24 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.207 -0.451 . . . . 10.0 110.433 179.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.84 121.92 38.08 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.121 -0.49 . . . . 10.0 109.863 179.096 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 12.8 m -133.26 162.24 40.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.949 0.404 . . . . 10.0 111.036 -179.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 14.5 t -102.54 100.64 10.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.899 -0.591 . . . . 10.0 109.742 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 46' ' ' ILE . . . . . 0.473 ' HB ' ' SG ' ' C' ' 51' ' ' CYS . 51.9 mt -107.02 117.9 53.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.312 -179.705 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 47' ' ' ASP . . . . . 0.542 ' HA ' ' HB3' ' B' ' 128' ' ' LYS . 12.2 m-20 61.28 24.03 14.19 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.703 -0.681 . . . . 10.0 111.576 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.41 0.71 72.8 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.625 -0.798 . . . . 10.0 112.391 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -104.45 142.92 33.75 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.887 0.375 . . . . 10.0 110.95 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 7.2 m -81.31 100.17 9.04 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.064 -1.088 . . . . 10.0 108.064 178.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 51' ' ' CYS . . . . . 0.473 ' SG ' ' HB ' ' C' ' 46' ' ' ILE . 11.5 m -101.41 129.84 47.51 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.205 -0.452 . . . . 10.0 112.116 -178.112 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 62.1 tp -97.99 111.23 23.62 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.256 -1.016 . . . . 10.0 108.256 178.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . 0.5 ' O ' ' HA ' ' C' ' 41' ' ' ARG . 16.9 mt -90.52 127.25 36.18 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 112.534 0.568 . . . . 10.0 112.534 -178.646 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -116.68 84.47 2.14 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 106.895 -1.521 . . . . 10.0 106.895 177.161 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 55' ' ' ILE . . . . . 0.528 HD12 HD11 ' C' ' 24' ' ' ILE . 10.9 mt -84.88 140.12 16.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.54 -0.755 . . . . 10.0 111.747 -177.724 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . 0.488 HD11 ' HG2' ' C' ' 37' ' ' GLU . 23.5 tp -132.94 116.23 16.19 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.29 -0.414 . . . . 10.0 111.522 -179.688 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -100.12 104.67 16.24 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 109.476 -0.564 . . . . 10.0 109.476 178.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 58' ' ' THR . . . . . 0.675 HG22 ' HG3' ' C' ' 37' ' ' GLU . 45.9 p -93.47 165.03 12.96 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 116.012 -0.54 . . . . 10.0 111.27 -179.227 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 59' ' ' ALA . . . . . 0.419 ' HB2' ' HA ' ' C' ' 36' ' ' ILE . . . -68.84 132.81 47.36 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.573 179.598 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -112.16 30.38 7.7 Favored Glycine 0 CA--C 1.517 0.177 0 N-CA-C 111.583 -0.607 . . . . 10.0 111.583 179.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -94.15 20.6 7.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.826 0.346 . . . . 10.0 111.113 -179.348 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 62' ' ' GLU . . . . . 0.501 ' HG3' ' H ' ' C' ' 63' ' ' GLU . 2.8 tp10 62.04 -170.45 0.17 Allowed 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.601 -0.727 . . . . 10.0 111.799 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 63' ' ' GLU . . . . . 0.501 ' H ' ' HG3' ' C' ' 62' ' ' GLU . 1.2 tm-20 75.53 -38.12 0.35 Allowed 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.49 0.716 . . . . 10.0 111.964 179.602 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 64' ' ' TYR . . . . . 0.504 ' O ' ' HB2' ' C' ' 68' ' ' ARG . 77.6 m-85 -74.76 49.29 0.4 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.351 0.5 . . . . 10.0 112.351 -179.677 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.53 -37.04 82.14 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.727 0.299 . . . . 10.0 110.838 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.66 -43.98 44.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.302 0.572 . . . . 10.0 110.401 179.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 67' ' ' MET . . . . . 0.467 ' HB3' ' HB3' ' C' ' 64' ' ' TYR . 21.2 ttt -65.1 -30.48 71.43 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.787 -0.642 . . . . 10.0 110.913 179.431 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 68' ' ' ARG . . . . . 0.65 ' HA ' ' CE1' ' C' ' 71' ' ' TYR . 20.3 ttp180 -66.01 -45.83 80.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.639 -0.71 . . . . 10.0 110.493 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -57.51 -41.76 81.44 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.755 -0.657 . . . . 10.0 111.265 -179.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -55.64 -51.24 67.87 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 113.071 0.767 . . . . 10.0 113.071 -179.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 71' ' ' TYR . . . . . 0.65 ' CE1' ' HA ' ' C' ' 68' ' ' ARG . 10.0 p90 -78.92 -10.96 59.97 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 113.431 0.9 . . . . 10.0 113.431 -178.562 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 72' ' ' MET . . . . . 0.462 ' HE3' ' HG2' ' C' ' 68' ' ' ARG . 37.4 mtt -71.89 -22.9 61.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.082 0.468 . . . . 10.0 110.761 179.679 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 15.8 mtt180 -74.93 -43.3 54.97 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.704 -0.68 . . . . 10.0 111.098 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.68 -28.82 51.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.435 -0.348 . . . . 10.0 111.357 179.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.08 126.6 31.68 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.979 -0.629 . . . . 10.0 113.188 -179.348 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -96.44 -50.86 4.58 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.666 -0.494 . . . . 10.0 109.666 179.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -114.1 129.1 8.57 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 110.922 -0.871 . . . . 10.0 110.922 179.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 78' ' ' PHE . . . . . 0.672 ' HB2' ' HG2' ' C' ' 111' ' ' MET . 89.5 m-85 -107.92 116.59 32.24 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.354 0.597 . . . . 10.0 111.976 -178.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 79' ' ' LEU . . . . . 0.661 HD13 HD22 ' C' ' 159' ' ' LEU . 14.6 tp -88.19 96.81 10.69 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.219 -0.9 . . . . 10.0 109.582 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 80' ' ' CYS . . . . . 0.566 ' HB3' HD12 ' C' ' 93' ' ' ILE . 58.5 m -78.36 96.19 5.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.116 -0.493 . . . . 10.0 109.936 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 51.1 t -103.89 134.58 44.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.095 -0.502 . . . . 10.0 111.191 -179.081 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 27.9 p90 -138.43 167.93 20.85 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.008 179.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 83' ' ' ALA . . . . . 0.463 ' HB3' ' HB3' ' C' ' 86' ' ' ASN . . . -105.01 133.51 49.67 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.187 -0.461 . . . . 10.0 110.193 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 84' ' ' ILE . . . . . 0.443 HD13 ' HA ' ' C' ' 118' ' ' CYS . 36.7 pt -69.8 -16.44 20.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.921 0.391 . . . . 10.0 111.465 -179.727 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -98.47 -0.85 42.65 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.546 179.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 86' ' ' ASN . . . . . 0.463 ' HB3' ' HB3' ' C' ' 83' ' ' ALA . 22.8 t-20 -126.72 99.34 5.73 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.634 -179.758 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 1.5 m -62.12 -30.99 71.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.898 -0.592 . . . . 10.0 111.719 -178.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -57.99 -47.73 82.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.368 -0.378 . . . . 10.0 111.227 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 89' ' ' SER . . . . . 0.439 ' HA ' ' HB2' ' C' ' 92' ' ' ASP . 62.3 p -61.81 -31.03 71.23 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.262 0.467 . . . . 10.0 112.262 -179.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -67.74 -43.02 80.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.214 0.531 . . . . 10.0 110.435 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -80.2 -23.31 41.05 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.068 -0.515 . . . . 10.0 110.875 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 92' ' ' ASP . . . . . 0.708 ' HA ' ' HD2' ' C' ' 95' ' ' HIS . 0.3 OUTLIER -62.26 -32.03 72.69 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.416 -0.811 . . . . 10.0 110.538 179.671 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 93' ' ' ILE . . . . . 0.566 HD12 ' HB3' ' C' ' 80' ' ' CYS . 49.9 mm -56.87 -38.44 59.15 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-N 115.629 -0.714 . . . . 10.0 111.711 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -60.96 -42.39 98.2 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.31 -0.404 . . . . 10.0 110.473 -179.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 95' ' ' HIS . . . . . 0.708 ' HD2' ' HA ' ' C' ' 92' ' ' ASP . 91.6 m-70 -62.66 -39.97 95.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.553 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -69.42 -44.11 72.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.991 -0.549 . . . . 10.0 111.309 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -56.7 -46.7 81.07 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.49 -0.323 . . . . 10.0 111.369 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -61.18 -38.57 86.98 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.984 -0.553 . . . . 10.0 111.685 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 99' ' ' GLN . . . . . 0.415 ' O ' HG23 ' C' ' 103' ' ' VAL . 56.4 tt0 -71.15 -45.06 64.29 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.626 -0.43 . . . . 10.0 110.985 179.332 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 87.4 mt -55.74 -43.53 74.01 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-O 121.094 0.474 . . . . 10.0 109.936 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 3.8 mtmt -62.18 -35.46 78.92 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.357 -0.838 . . . . 10.0 111.063 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 33.1 ttm180 -73.67 -37.81 65.14 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.126 -0.488 . . . . 10.0 111.489 -179.238 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 103' ' ' VAL . . . . . 0.415 HG23 ' O ' ' C' ' 99' ' ' GLN . 60.4 t -72.5 -54.15 17.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 112.246 0.461 . . . . 10.0 112.246 -178.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -80.33 -21.08 42.87 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 116.419 -0.355 . . . . 10.0 111.952 -178.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 21.8 t70 59.69 60.54 2.19 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.687 0.756 . . . . 10.0 110.704 -179.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 23.2 t -156.6 140.44 16.16 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.181 -0.918 . . . . 10.0 109.454 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -88.02 -39.3 14.77 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.495 0.664 . . . . 10.0 109.488 179.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -85.4 90.56 7.97 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.478 -0.783 . . . . 10.0 109.763 179.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 41.2 t -118.09 130.91 24.43 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 116.053 -0.522 . . . . 10.0 110.251 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -66.39 97.14 0.36 Allowed 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.831 2.354 . . . . 10.0 111.417 179.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 111' ' ' MET . . . . . 0.672 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 72.1 mtm -136.29 143.54 44.25 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.959 -0.564 . . . . 10.0 109.993 179.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 112' ' ' VAL . . . . . 0.484 HG13 ' HG2' ' C' ' 140' ' ' PRO . 60.1 t -124.6 141.7 43.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.631 -0.507 . . . . 10.0 109.631 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 113' ' ' LEU . . . . . 0.45 ' O ' ' HA ' ' C' ' 141' ' ' PHE . 18.9 tp -98.79 117.72 33.91 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.214 -0.662 . . . . 10.0 109.214 179.251 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 53.5 t -126.24 129.13 72.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.134 0.493 . . . . 10.0 111.63 -178.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -101.22 136.13 12.55 Favored Glycine 0 N--CA 1.448 -0.51 0 N-CA-C 110.074 -1.211 . . . . 10.0 110.074 178.471 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -109.29 165.42 11.64 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 117.229 0.515 . . . . 10.0 110.986 -179.497 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 117' ' ' LYS . . . . . 0.506 ' HB3' HD12 ' C' ' 120' ' ' LEU . 82.7 mttt 63.1 35.66 12.78 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.726 -0.67 . . . . 10.0 112.643 179.34 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 118' ' ' CYS . . . . . 0.499 ' SG ' ' HB3' ' C' ' 143' ' ' GLU . 1.4 m -72.05 -8.21 53.27 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 112.95 0.722 . . . . 10.0 112.95 -179.671 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -86.72 -14.79 41.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.899 0.38 . . . . 10.0 110.325 179.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 120' ' ' LEU . . . . . 0.506 HD12 ' HB3' ' C' ' 117' ' ' LYS . 53.8 mt -85.93 129.28 54.88 Favored Pre-proline 0 C--O 1.235 0.335 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.175 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 121' ' ' PRO . . . . . 0.502 ' HD3' ' HA ' ' C' ' 120' ' ' LEU . 10.3 Cg_exo -71.59 165.93 30.99 Favored 'Trans proline' 0 C--O 1.235 0.367 0 C-N-CA 122.902 2.401 . . . . 10.0 112.412 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 6.1 m 66.25 77.17 0.29 Allowed 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.68 -0.691 . . . . 10.0 111.085 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 123' ' ' ARG . . . . . 0.472 ' HD2' ' HA ' ' C' ' 126' ' ' ASP . 2.6 ptp180 -106.66 144.13 33.77 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.637 -0.711 . . . . 10.0 111.415 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.56 -37.68 13.68 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.351 -0.386 . . . . 10.0 110.261 179.458 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 25.6 t -96.35 101.61 12.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.057 -0.52 . . . . 10.0 110.482 179.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 126' ' ' ASP . . . . . 0.472 ' HA ' ' HD2' ' C' ' 123' ' ' ARG . 20.0 t70 -78.11 156.17 30.11 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.755 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 3.1 m -55.96 -30.25 61.43 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 112.026 0.38 . . . . 10.0 112.026 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 128' ' ' LYS . . . . . 0.526 ' HD2' ' HA ' ' B' ' 47' ' ' ASP . 37.8 mtmm -57.72 -63.61 1.18 Allowed 'General case' 0 N--CA 1.46 0.072 0 CA-C-O 120.85 0.357 . . . . 10.0 111.422 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -66.42 -30.51 70.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.345 -0.389 . . . . 10.0 112.036 -179.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.49 -49.21 69.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.844 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -72.68 -24.34 61.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.527 -0.306 . . . . 10.0 111.266 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -63.9 -38.79 92.37 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.352 0.596 . . . . 10.0 110.368 178.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 42.5 tp -66.8 -42.63 85.62 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.921 -0.581 . . . . 10.0 109.689 179.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -68.02 -33.18 74.12 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 115.572 -0.74 . . . . 10.0 109.842 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 135' ' ' ARG . . . . . 0.453 HH11 ' HD3' ' C' ' 135' ' ' ARG . 9.3 ttt180 -63.04 -40.03 96.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.504 -0.771 . . . . 10.0 110.097 179.074 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 18.3 m -73.75 -38.77 64.61 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.914 -0.585 . . . . 10.0 111.078 179.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 5.3 m-30 -74.07 -31.18 62.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.174 -0.467 . . . . 10.0 111.839 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 85.97 30.7 22.49 Favored Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 111.13 -0.788 . . . . 10.0 111.13 -179.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 139' ' ' ILE . . . . . 0.537 ' HB ' ' HD2' ' C' ' 140' ' ' PRO . 44.9 pt -120.62 163.23 30.28 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 115.461 -0.37 . . . . 10.0 110.367 -179.446 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 140' ' ' PRO . . . . . 0.537 ' HD2' ' HB ' ' C' ' 139' ' ' ILE . 72.0 Cg_endo -81.35 153.23 18.29 Favored 'Trans proline' 0 CA--C 1.534 0.508 0 C-N-CA 122.292 1.995 . . . . 10.0 112.914 179.679 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 141' ' ' PHE . . . . . 0.45 ' HA ' ' O ' ' C' ' 113' ' ' LEU . 79.9 t80 -130.19 130.7 45.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.009 179.663 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 8.3 mt -130.57 131.95 64.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.548 -0.296 . . . . 10.0 110.839 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 143' ' ' GLU . . . . . 0.499 ' HB3' ' SG ' ' C' ' 118' ' ' CYS . 52.4 mt-10 -96.25 117.44 30.8 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.475 -0.935 . . . . 10.0 108.475 177.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 144' ' ' THR . . . . . 0.589 HG22 ' HA3' ' C' ' 151' ' ' GLY . 81.1 p -125.69 -172.79 2.68 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.885 0.698 . . . . 10.0 112.885 -177.395 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 3.5 t -161.64 122.41 2.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.874 -1.057 . . . . 10.0 108.336 179.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -73.09 -33.99 65.92 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.29 -0.414 . . . . 10.0 110.766 -178.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -63.94 -43.92 94.42 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.42 -0.355 . . . . 10.0 111.432 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 18.8 p -87.98 -8.29 55.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.015 0.436 . . . . 10.0 110.308 179.171 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 6.4 ttt-85 64.09 20.49 12.21 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.298 -0.865 . . . . 10.0 111.379 -179.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -82.0 125.0 30.28 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.548 -0.751 . . . . 10.0 111.353 -179.189 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 151' ' ' GLY . . . . . 0.589 ' HA3' HG22 ' C' ' 144' ' ' THR . . . 77.52 0.17 71.98 Favored Glycine 0 CA--C 1.52 0.391 0 N-CA-C 114.773 0.669 . . . . 10.0 114.773 178.223 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 79.0 t -57.0 -45.16 83.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.157 0.503 . . . . 10.0 111.431 -179.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.33 -46.51 69.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.607 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -57.48 -37.79 73.49 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.452 -0.34 . . . . 10.0 111.8 -179.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -57.37 -40.66 78.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.426 . . . . 10.0 111.599 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -87.57 -40.84 13.9 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 111.923 0.342 . . . . 10.0 111.923 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -59.93 -51.31 70.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.495 . . . . 10.0 111.65 -179.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 158' ' ' THR . . . . . 0.701 ' HA ' ' HE ' ' C' ' 161' ' ' ARG . 24.3 m -68.95 -27.65 65.94 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 112.161 0.43 . . . . 10.0 112.161 -178.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 159' ' ' LEU . . . . . 0.661 HD22 HD13 ' C' ' 79' ' ' LEU . 56.1 tp -64.29 -38.47 91.14 Favored 'General case' 0 C--N 1.333 -0.114 0 N-CA-C 109.262 -0.644 . . . . 10.0 109.262 178.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 48.8 t -67.85 -35.71 73.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.226 -0.897 . . . . 10.0 109.574 178.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 161' ' ' ARG . . . . . 0.701 ' HE ' ' HA ' ' C' ' 158' ' ' THR . 0.0 OUTLIER -64.06 -35.92 82.32 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.745 -0.662 . . . . 10.0 111.286 179.709 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -63.76 -36.15 82.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.651 0.262 . . . . 10.0 110.659 179.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 54.4 mt -65.42 -43.02 94.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.339 -0.391 . . . . 10.0 110.004 179.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 5.5 mtt85 -67.49 -42.48 82.82 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.04 0.448 . . . . 10.0 109.843 178.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 165' ' ' LYS . . . . . 0.454 ' HE2' ' HA ' ' B' ' 135' ' ' ARG . 27.1 ttmt -61.6 -36.68 81.39 Favored 'General case' 0 C--O 1.222 -0.343 0 CA-C-N 115.816 -0.629 . . . . 10.0 109.584 179.026 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 14.8 t-80 -59.81 -45.81 91.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 10.0 109.957 179.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 90.6 mttt . . . . . 0 C--N 1.327 -0.402 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.275 179.668 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 14.9 tttm . . . . . 0 C--O 1.233 0.216 0 CA-C-O 120.749 0.309 . . . . 10.0 111.414 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 91.1 mt -64.88 -33.86 77.02 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.93 0.395 . . . . 10.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 79.4 mt -74.76 -37.46 62.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.978 -0.555 . . . . 10.0 110.623 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -64.92 -49.89 68.63 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.696 -0.684 . . . . 10.0 110.542 179.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 206' ' ' ASN . . . . . 0.469 HD21 HD21 ' D' ' 569' ' ' LEU . 15.3 m120 -68.79 -21.94 64.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.933 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 70.7 t90 -71.4 -29.74 65.29 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.146 179.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -63.41 -37.03 85.72 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.467 -0.568 . . . . 10.0 109.467 179.043 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.11 -36.86 75.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.662 -0.699 . . . . 10.0 110.032 179.308 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 210' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 206' ' ' ASN . 50.2 t -66.49 -42.73 90.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 108.988 -0.745 . . . . 10.0 108.988 178.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 38.2 m -59.99 -46.86 88.07 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.182 -0.917 . . . . 10.0 111.271 179.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.58 -35.69 81.81 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.093 0.473 . . . . 10.0 110.05 179.464 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 61.3 m -62.71 -47.42 83.68 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 109.29 -0.633 . . . . 10.0 109.29 178.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 214' ' ' PHE . . . . . 0.409 ' HA ' HD12 ' A' ' 217' ' ' LEU . 5.2 m-85 -65.4 -35.9 82.35 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.997 -0.547 . . . . 10.0 111.016 179.147 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 49.0 m -59.57 -53.58 56.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.558 179.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 71.0 mttt -67.93 -28.63 67.65 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.684 0.278 . . . . 10.0 111.002 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 217' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' A' ' 214' ' ' PHE . 16.9 mt -64.94 -42.8 94.32 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.748 -0.834 . . . . 10.0 108.748 177.654 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 218' ' ' ARG . . . . . 0.581 ' HA ' HD12 ' A' ' 221' ' ' LEU . 48.3 mtt180 -68.93 -30.8 69.33 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.628 -0.715 . . . . 10.0 110.02 178.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -65.92 -48.02 72.79 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.741 -0.837 . . . . 10.0 108.741 177.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -68.73 -28.76 67.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.274 -0.875 . . . . 10.0 110.917 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 221' ' ' LEU . . . . . 0.581 HD12 ' HA ' ' A' ' 218' ' ' ARG . 13.3 mt -54.84 -33.62 61.91 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.315 -0.402 . . . . 10.0 111.141 179.409 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -56.75 -69.86 1.15 Allowed Glycine 0 CA--C 1.521 0.453 0 N-CA-C 111.567 -0.613 . . . . 10.0 111.567 178.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -53.61 -39.31 83.39 Favored 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 122.65 2.233 . . . . 10.0 111.585 178.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 224' ' ' VAL . . . . . 0.477 ' O ' ' HB2' ' A' ' 228' ' ' PHE . 49.5 t -59.39 -51.2 75.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.432 -0.349 . . . . 10.0 111.064 179.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 7.9 p -64.54 -38.31 90.56 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.85 -0.34 . . . . 10.0 110.4 179.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -61.47 -50.74 71.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.925 179.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 73.9 mt-10 -67.42 -44.14 79.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.511 -0.313 . . . . 10.0 111.229 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 228' ' ' PHE . . . . . 0.477 ' HB2' ' O ' ' A' ' 224' ' ' VAL . 0.3 OUTLIER -59.31 -50.56 73.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.435 179.798 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -64.43 -37.82 88.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.385 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -61.09 -46.75 89.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.057 179.304 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 231' ' ' ASN . . . . . 0.681 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 86.8 m-20 -70.48 -37.13 74.19 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.009 -0.542 . . . . 10.0 110.247 179.196 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 232' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 228' ' ' PHE . 51.5 mt -63.45 -35.43 80.42 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.253 -0.647 . . . . 10.0 109.253 178.506 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 233' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' A' ' 237' ' ' GLU . 41.6 mm-40 -65.68 -41.68 92.17 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 109.649 -0.5 . . . . 10.0 109.649 178.719 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 234' ' ' LYS . . . . . 0.681 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 63.4 mttt -62.98 -39.98 96.35 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.136 -0.69 . . . . 10.0 109.136 178.366 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.64 -52.16 58.82 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.277 -0.874 . . . . 10.0 110.13 179.171 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 1.7 p -65.48 -30.58 71.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 10.0 112.009 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 237' ' ' GLU . . . . . 0.419 ' HB2' ' O ' ' A' ' 233' ' ' GLU . 2.5 tt0 -67.79 -44.46 77.32 Favored 'General case' 0 CA--C 1.517 -0.305 0 N-CA-C 108.438 -0.949 . . . . 10.0 108.438 178.358 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -61.64 -42.78 99.81 Favored Glycine 0 N--CA 1.445 -0.751 0 N-CA-C 109.838 -1.305 . . . . 10.0 109.838 177.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 79.5 mt -63.59 -33.48 75.69 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.967 0.413 . . . . 10.0 110.387 178.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 15.7 mtt180 -72.2 -39.68 68.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.318 -0.401 . . . . 10.0 109.948 178.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -67.34 -38.67 85.21 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.292 -1.003 . . . . 10.0 108.292 177.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 242' ' ' GLU . . . . . 0.487 ' OE1' ' HB3' ' D' ' 528' ' ' ARG . 11.0 mt-10 -65.3 -33.87 76.99 Favored 'General case' 0 C--O 1.218 -0.584 0 CA-C-N 114.916 -1.038 . . . . 10.0 110.142 178.103 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 243' ' ' MET . . . . . 0.77 ' HG3' HD12 ' A' ' 247' ' ' LEU . 54.7 ttm -57.29 -30.84 65.05 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.052 0.453 . . . . 10.0 110.485 179.212 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 9.2 m -76.78 8.16 3.97 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 115.392 -0.822 . . . . 10.0 111.063 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -137.65 -56.77 0.68 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.008 -0.542 . . . . 10.0 109.707 179.15 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 246' ' ' ASP . . . . . 0.557 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 22.9 t70 -57.04 -56.85 16.39 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.59 -0.732 . . . . 10.0 110.902 -179.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 247' ' ' LEU . . . . . 0.77 HD12 ' HG3' ' A' ' 243' ' ' MET . 16.1 mt -78.38 -33.18 49.03 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.239 -0.437 . . . . 10.0 111.375 179.551 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -61.74 -49.49 76.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.984 0.421 . . . . 10.0 111.001 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 249' ' ' GLU . . . . . 0.546 ' O ' ' HB2' ' A' ' 253' ' ' LYS . 6.5 mt-10 -70.72 -27.84 64.28 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.227 -0.442 . . . . 10.0 112.116 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 250' ' ' VAL . . . . . 0.559 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 0.9 OUTLIER -78.06 -18.46 13.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.202 0.525 . . . . 10.0 110.289 179.058 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 251' ' ' LYS . . . . . 0.417 ' O ' HG12 ' A' ' 254' ' ' VAL . 35.9 ttpt -97.0 -36.42 10.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.74 -0.664 . . . . 10.0 109.903 179.163 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -74.87 -41.19 60.27 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.317 -0.402 . . . . 10.0 110.647 179.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 253' ' ' LYS . . . . . 0.546 ' HB2' ' O ' ' A' ' 249' ' ' GLU . 45.3 mttt -82.69 -10.06 59.09 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.995 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 254' ' ' VAL . . . . . 0.559 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.4 OUTLIER -62.66 -29.67 47.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 C-N-CA 120.796 -0.362 . . . . 10.0 110.38 179.673 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -63.99 -63.97 3.33 Favored Pre-proline 0 N--CA 1.453 -0.309 0 CA-C-N 116.274 -0.421 . . . . 10.0 111.371 178.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_endo -62.1 -36.04 72.3 Favored 'Trans proline' 0 C--N 1.356 0.943 0 C-N-CA 121.874 1.716 . . . . 10.0 112.284 179.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 4.3 m-30 -64.61 -53.0 54.57 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.86 0.362 . . . . 10.0 110.495 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 258' ' ' LEU . . . . . 0.455 HD23 ' HA ' ' A' ' 258' ' ' LEU . 14.3 mt -69.28 -32.78 72.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.444 -0.343 . . . . 10.0 110.609 179.493 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 259' ' ' ASP . . . . . 0.485 ' O ' ' HB2' ' A' ' 263' ' ' LYS . 16.3 t70 -60.64 -45.82 92.63 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.319 -0.623 . . . . 10.0 109.319 178.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -63.69 -48.93 75.15 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.564 -0.744 . . . . 10.0 110.643 179.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -60.99 -50.31 73.89 Favored 'General case' 0 N--CA 1.457 -0.092 0 CA-C-N 115.933 -0.576 . . . . 10.0 111.285 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -64.52 -38.73 92.05 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 116.635 -0.257 . . . . 10.0 111.096 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 263' ' ' LYS . . . . . 0.485 ' HB2' ' O ' ' A' ' 259' ' ' ASP . 31.9 ttmt -58.64 -54.4 47.49 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.797 -0.446 . . . . 10.0 109.797 179.595 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 264' ' ' LYS . . . . . 0.541 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 73.7 mttt -64.1 -36.57 84.47 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.666 -0.697 . . . . 10.0 110.161 179.302 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -63.83 -38.77 92.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.326 -0.397 . . . . 10.0 110.299 178.675 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -61.79 -45.39 94.09 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.936 -0.764 . . . . 10.0 108.936 178.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -65.07 -43.85 90.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.162 -0.926 . . . . 10.0 109.507 178.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 268' ' ' GLU . . . . . 0.458 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 30.9 mt-10 -60.17 -44.7 94.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.708 -0.678 . . . . 10.0 111.078 179.533 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 70.8 mmm -65.52 -41.75 92.78 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.336 179.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -61.43 -48.36 81.55 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 116.008 -0.542 . . . . 10.0 109.594 178.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 85.4 mt -59.64 -41.49 90.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.848 -0.615 . . . . 10.0 110.063 179.095 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 272' ' ' TYR . . . . . 0.409 ' HD1' ' HA ' ' A' ' 272' ' ' TYR . 1.5 m-30 -60.93 -44.94 96.51 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.607 179.299 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 273' ' ' ARG . . . . . 0.509 ' HA ' HG12 ' A' ' 276' ' ' VAL . 78.1 mtt180 -68.57 -42.95 77.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.979 0.419 . . . . 10.0 111.001 179.297 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -65.48 -16.82 64.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.818 -0.628 . . . . 10.0 111.769 -179.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 275' ' ' LYS . . . . . 0.691 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 8.3 mptt -104.25 -48.05 3.96 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.576 -0.284 . . . . 10.0 110.809 179.115 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 276' ' ' VAL . . . . . 0.528 ' O ' ' HB2' ' A' ' 280' ' ' ARG . 2.5 p -53.38 -31.42 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 112.851 0.685 . . . . 10.0 112.851 -178.534 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -69.57 -63.34 2.01 Favored Pre-proline 0 CA--C 1.536 0.432 0 N-CA-C 112.151 0.426 . . . . 10.0 112.151 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_endo -60.21 -35.82 90.56 Favored 'Trans proline' 0 C--N 1.356 0.94 0 C-N-CA 121.476 1.45 . . . . 10.0 111.339 178.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 279' ' ' LEU . . . . . 0.691 ' HG ' ' O ' ' A' ' 275' ' ' LYS . 34.1 mt -67.0 -37.89 85.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.463 -0.335 . . . . 10.0 110.269 179.361 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 280' ' ' ARG . . . . . 0.528 ' HB2' ' O ' ' A' ' 276' ' ' VAL . 11.3 ttt180 -66.4 -34.37 77.81 Favored 'General case' 0 C--O 1.223 -0.31 0 N-CA-C 109.426 -0.583 . . . . 10.0 109.426 179.002 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -63.81 -43.18 97.03 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 109.167 -0.679 . . . . 10.0 109.167 178.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -65.09 -49.3 70.55 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.93 -0.577 . . . . 10.0 109.545 178.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 283' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 279' ' ' LEU . 85.3 mt -61.35 -33.3 73.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.597 -0.729 . . . . 10.0 111.018 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 284' ' ' GLN . . . . . 0.45 ' HB2' ' O ' ' A' ' 280' ' ' ARG . 15.2 tt0 -70.59 -45.21 65.78 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.408 -0.59 . . . . 10.0 109.408 178.635 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -62.74 -45.14 94.12 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.153 -0.684 . . . . 10.0 109.153 178.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -61.08 -45.49 96.48 Favored Glycine 0 N--CA 1.442 -0.927 0 N-CA-C 110.521 -1.032 . . . . 10.0 110.521 178.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -58.14 -44.8 88.04 Favored 'General case' 0 C--O 1.221 -0.429 0 N-CA-C 110.219 -0.289 . . . . 10.0 110.219 178.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 60.3 mtt180 -60.76 -49.6 76.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.853 0.358 . . . . 10.0 110.368 178.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -60.43 -41.53 94.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.898 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 69.6 mttt -71.41 -39.98 70.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.721 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 28.7 mt -64.11 -42.33 96.92 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.285 179.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -61.03 -40.41 93.49 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 109.79 -0.448 . . . . 10.0 109.79 178.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -62.04 -41.99 98.7 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.199 -0.667 . . . . 10.0 109.199 178.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 95.7 mt -67.37 -39.88 85.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.47 -0.786 . . . . 10.0 110.651 179.291 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -62.45 -40.38 96.43 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.142 0.496 . . . . 10.0 109.952 179.147 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -60.3 -28.51 68.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.676 -0.693 . . . . 10.0 110.386 179.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . 0.517 ' HB3' HD12 ' A' ' 301' ' ' LEU . 15.2 mmtp -104.88 13.98 30.27 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.182 -0.463 . . . . 10.0 111.161 -179.784 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 15.6 mt -110.97 -39.92 4.66 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-N 116.154 -0.476 . . . . 10.0 111.034 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 299' ' ' SER . . . . . 0.539 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 2.5 m -72.31 -68.11 0.45 Allowed Pre-proline 0 CA--C 1.544 0.725 0 N-CA-C 112.77 0.656 . . . . 10.0 112.77 -179.646 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 300' ' ' PRO . . . . . 0.539 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 28.4 Cg_endo -63.31 -48.24 6.45 Favored 'Trans proline' 0 C--N 1.354 0.827 0 C-N-CA 121.866 1.71 . . . . 10.0 112.135 -179.477 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 301' ' ' LEU . . . . . 0.517 HD12 ' HB3' ' A' ' 297' ' ' LYS . 31.4 mt -65.66 -32.6 74.26 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 116.193 -0.458 . . . . 10.0 110.753 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -67.58 -48.02 58.99 Favored Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 110.564 -1.014 . . . . 10.0 110.564 178.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -62.47 -38.41 89.71 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.322 -0.621 . . . . 10.0 109.322 178.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -65.74 -36.67 84.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.78 -0.645 . . . . 10.0 109.849 178.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 5.9 tpt -68.05 -40.32 82.85 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 116.018 -0.537 . . . . 10.0 109.794 179.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 306' ' ' ARG . . . . . 0.462 ' O ' ' HG3' ' A' ' 310' ' ' ARG . 81.0 mtt180 -70.6 -39.7 73.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.914 -0.585 . . . . 10.0 110.562 178.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 307' ' ' ASP . . . . . 0.492 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 37.9 t70 -64.36 -42.11 96.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.177 0.513 . . . . 10.0 109.805 178.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 308' ' ' ARG . . . . . 0.491 ' HD3' ' HA ' ' A' ' 308' ' ' ARG . 11.7 mmt180 -69.8 -29.14 66.37 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.968 -0.56 . . . . 10.0 109.551 178.116 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -67.21 -37.58 83.87 Favored 'General case' 0 CA--C 1.52 -0.204 0 N-CA-C 108.333 -0.988 . . . . 10.0 108.333 177.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 310' ' ' ARG . . . . . 0.492 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 80.2 mtt180 -59.88 -45.34 92.8 Favored 'General case' 0 C--O 1.22 -0.47 0 N-CA-C 108.707 -0.849 . . . . 10.0 108.707 177.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -66.37 -43.68 85.29 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.802 -0.635 . . . . 10.0 109.897 178.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 312' ' ' HIS . . . . . 0.485 ' HE1' ' HB2' ' D' ' 465' ' ' GLU . 2.0 m-70 -55.48 -50.88 68.72 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.137 179.127 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 85.5 t -72.99 -35.45 48.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.156 -0.929 . . . . 10.0 111.457 -179.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -62.06 -49.34 76.36 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 109.977 -0.379 . . . . 10.0 109.977 179.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -61.84 -33.66 74.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.912 -0.585 . . . . 10.0 109.432 179.088 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 9.5 mt -68.66 -45.12 72.6 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.615 -0.72 . . . . 10.0 109.357 178.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 14.4 mtm105 -61.44 -46.19 91.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.424 . . . . 10.0 110.941 179.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 5.3 m -63.39 -22.43 66.87 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.623 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 14.0 m80 -93.47 -41.08 9.99 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.861 0.362 . . . . 10.0 110.392 178.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 320' ' ' LEU . . . . . 0.495 ' HA ' ' HB2' ' A' ' 323' ' ' TYR . 61.5 mt -68.78 -28.27 66.63 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.101 -0.5 . . . . 10.0 112.234 -179.527 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 321' ' ' ALA . . . . . 0.404 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -57.24 -60.01 10.99 Favored Pre-proline 0 CA--C 1.539 0.535 0 N-CA-C 111.383 0.142 . . . . 10.0 111.383 179.47 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 322' ' ' PRO . . . . . 0.404 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 37.3 Cg_endo -68.3 -29.69 31.67 Favored 'Trans proline' 0 C--N 1.357 0.998 0 C-N-CA 121.6 1.533 . . . . 10.0 110.552 178.429 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 323' ' ' TYR . . . . . 0.495 ' HB2' ' HA ' ' A' ' 320' ' ' LEU . 6.3 m-30 -61.89 -51.48 68.02 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.592 179.002 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 324' ' ' SER . . . . . 0.427 ' O ' ' HG3' ' A' ' 328' ' ' ARG . 5.1 p -62.17 -34.45 76.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.729 0.3 . . . . 10.0 110.477 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 325' ' ' ASP . . . . . 0.408 ' O ' ' HG3' ' A' ' 329' ' ' GLN . 15.1 t70 -61.84 -49.94 74.25 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.829 -0.623 . . . . 10.0 109.412 178.41 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -65.11 -39.52 93.25 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 115.614 -0.721 . . . . 10.0 109.501 178.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 323' ' ' TYR . 75.6 mt -58.54 -37.91 76.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.454 179.124 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 328' ' ' ARG . . . . . 0.427 ' HG3' ' O ' ' A' ' 324' ' ' SER . 66.5 mtt85 -62.98 -42.31 99.8 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.531 -0.544 . . . . 10.0 109.531 178.376 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 329' ' ' GLN . . . . . 0.408 ' HG3' ' O ' ' A' ' 325' ' ' ASP . 44.1 mt-30 -68.25 -41.83 80.57 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.486 -0.561 . . . . 10.0 109.486 178.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 330' ' ' ARG . . . . . 0.524 ' O ' ' HG2' ' A' ' 334' ' ' ARG . 3.8 mtt-85 -61.33 -51.0 70.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.458 -0.792 . . . . 10.0 110.128 179.374 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 91.0 mt -58.2 -46.2 86.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.058 179.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -58.59 -48.5 80.74 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-N 115.956 -0.565 . . . . 10.0 109.817 178.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -59.53 -46.64 88.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.394 -0.366 . . . . 10.0 111.259 179.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 334' ' ' ARG . . . . . 0.524 ' HG2' ' O ' ' A' ' 330' ' ' ARG . 8.4 mmt180 -62.28 -47.07 85.95 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.272 -0.422 . . . . 10.0 109.934 179.791 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 77.3 mt -64.46 -44.57 90.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.901 -0.59 . . . . 10.0 111.985 -179.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -64.3 -39.97 94.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.915 0.388 . . . . 10.0 110.803 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -64.39 -44.42 91.36 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.157 -0.683 . . . . 10.0 109.157 178.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 68.1 mt -71.7 -15.88 62.22 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 115.826 -0.625 . . . . 10.0 111.045 179.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 71.2 tttt -74.85 -44.67 47.83 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.702 -0.851 . . . . 10.0 108.702 178.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -73.99 -48.11 32.56 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.956 -0.757 . . . . 10.0 108.956 178.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 341' ' ' ASN . . . . . 0.592 ' O ' ' HG3' ' A' ' 345' ' ' ARG . 25.7 t-20 -60.88 -49.8 76.01 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.501 -0.772 . . . . 10.0 110.387 179.254 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -62.68 -35.76 92.34 Favored Glycine 0 N--CA 1.444 -0.781 0 CA-C-N 115.732 -0.667 . . . . 10.0 111.512 179.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -64.43 -43.71 96.33 Favored Glycine 0 N--CA 1.45 -0.37 0 N-CA-C 110.891 -0.883 . . . . 10.0 110.891 178.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -64.07 -41.86 97.19 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 109.508 -0.553 . . . . 10.0 109.508 178.518 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 345' ' ' ARG . . . . . 0.592 ' HG3' ' O ' ' A' ' 341' ' ' ASN . 32.3 mtm180 -63.09 -40.07 96.57 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 115.801 -0.636 . . . . 10.0 110.274 178.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 62.4 mt -66.59 -48.01 70.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.317 179.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.13 -38.87 80.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.044 0.45 . . . . 10.0 110.017 179.141 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 348' ' ' GLU . . . . . 0.597 ' HB3' ' HE2' ' A' ' 352' ' ' LYS . 6.5 mt-10 -70.63 -47.41 60.23 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.385 -0.825 . . . . 10.0 110.16 178.743 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -58.56 -36.92 74.68 Favored 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 116.229 -0.441 . . . . 10.0 111.553 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -62.3 -38.5 89.64 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.085 -0.709 . . . . 10.0 109.085 178.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -71.71 -41.5 68.49 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.049 -0.523 . . . . 10.0 109.658 178.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 352' ' ' LYS . . . . . 0.597 ' HE2' ' HB3' ' A' ' 348' ' ' GLU . 42.8 mttm -60.97 -44.43 97.34 Favored 'General case' 0 C--N 1.338 0.102 0 CA-C-N 116.198 -0.455 . . . . 10.0 110.158 178.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -63.42 -41.52 98.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.628 -0.714 . . . . 10.0 110.293 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 27.6 m -64.82 -47.03 79.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.39 -0.368 . . . . 10.0 110.247 179.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -60.9 -41.64 96.46 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 109.318 -0.623 . . . . 10.0 109.318 178.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -63.25 -35.73 81.33 Favored 'General case' 0 C--O 1.226 -0.173 0 CA-C-N 115.788 -0.642 . . . . 10.0 109.855 178.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 46.2 mt -66.24 -38.79 88.73 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.402 -0.363 . . . . 10.0 110.593 179.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 3.9 m -61.26 -42.66 99.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.09 0.472 . . . . 10.0 110.282 179.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.9 -32.24 57.28 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.33 179.245 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 25.9 tp -66.81 -32.66 74.08 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.374 -0.602 . . . . 10.0 109.374 178.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 51.3 m -64.71 -26.13 68.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.727 -0.67 . . . . 10.0 110.161 178.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -71.54 -17.43 62.32 Favored 'General case' 0 C--O 1.231 0.118 0 N-CA-C 109.192 -0.67 . . . . 10.0 109.192 178.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 363' ' ' LYS . . . . . 0.895 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 88.2 mttt -98.34 -26.1 14.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.588 -0.733 . . . . 10.0 109.399 178.175 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -78.58 -33.59 47.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.542 -0.754 . . . . 10.0 111.785 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 365' ' ' LYS . . . . . 0.944 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 80.9 mttt -107.69 -72.0 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.449 0 N-CA-C 112.481 0.549 . . . . 10.0 112.481 179.321 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 366' ' ' PRO . . . . . 0.944 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 50.8 Cg_exo -55.9 -60.92 0.41 Allowed 'Trans proline' 0 C--N 1.357 0.985 0 C-N-CA 122.457 2.104 . . . . 10.0 112.899 -179.685 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 367' ' ' ALA . . . . . 0.895 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -59.46 -42.79 92.82 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.446 0.536 . . . . 10.0 112.446 -179.217 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 368' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 368' ' ' LEU . 5.2 mt -66.11 -42.47 89.19 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 120.809 -0.357 . . . . 10.0 111.108 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -63.68 -44.91 92.33 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.848 -0.797 . . . . 10.0 108.848 178.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -59.74 -40.96 89.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.374 -0.83 . . . . 10.0 109.838 179.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 12.4 mt -63.75 -45.81 88.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.656 -0.702 . . . . 10.0 109.922 178.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 84.8 mtt180 -63.21 -42.32 99.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.945 179.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -62.16 -31.21 71.68 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.486 -0.325 . . . . 10.0 110.916 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -86.02 -38.92 8.26 Favored Glycine 0 N--CA 1.442 -0.909 0 C-N-CA 120.465 -0.874 . . . . 10.0 111.367 179.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 375' ' ' LEU . . . . . 0.478 ' O ' ' HG ' ' A' ' 379' ' ' LEU . 39.1 mt -66.45 -36.34 82.54 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 111.957 0.355 . . . . 10.0 111.957 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 376' ' ' LEU . . . . . 0.612 ' O ' ' HG3' ' A' ' 380' ' ' GLU . 37.9 mt -50.1 -65.54 0.84 Allowed Pre-proline 0 CA--C 1.538 0.511 0 N-CA-C 112.607 0.595 . . . . 10.0 112.607 -179.588 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -64.98 -26.94 58.29 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 121.698 1.599 . . . . 10.0 111.448 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 2.9 t -65.94 -43.3 92.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 121.039 0.447 . . . . 10.0 109.892 179.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 379' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 375' ' ' LEU . 97.2 mt -67.68 -35.55 79.05 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.377 -0.601 . . . . 10.0 109.377 178.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 380' ' ' GLU . . . . . 0.612 ' HG3' ' O ' ' A' ' 376' ' ' LEU . 35.4 mt-10 -66.76 -45.73 77.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.897 -0.592 . . . . 10.0 110.643 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 1.5 p -65.9 -32.19 73.56 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 109.228 -0.656 . . . . 10.0 109.228 178.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 1.4 m-30 -65.52 -43.45 90.01 Favored 'General case' 0 CA--C 1.517 -0.318 0 N-CA-C 108.952 -0.758 . . . . 10.0 108.952 177.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 383' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' A' ' 379' ' ' LEU . 96.5 mttt -55.19 -47.75 74.8 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.247 178.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 384' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 380' ' ' GLU . 48.9 t -59.05 -40.58 81.09 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-N 115.888 -0.597 . . . . 10.0 110.138 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 11.5 m -69.13 -42.25 76.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.555 -0.748 . . . . 10.0 110.436 179.272 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -66.78 -43.36 84.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.521 -0.308 . . . . 10.0 111.117 179.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 387' ' ' LEU . . . . . 0.512 ' O ' ' HG3' ' A' ' 391' ' ' GLU . 61.8 mt -57.28 -53.65 55.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.436 . . . . 10.0 111.281 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 388' ' ' SER . . . . . 0.457 ' HB2' ' HE2' ' D' ' 594' ' ' LYS . 3.8 p -63.03 -38.88 92.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.11 -0.495 . . . . 10.0 111.156 -179.74 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -62.42 -41.15 98.49 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.736 0.303 . . . . 10.0 110.98 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 77.1 mt -65.15 -39.84 93.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 10.0 109.871 179.11 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 391' ' ' GLU . . . . . 0.512 ' HG3' ' O ' ' A' ' 387' ' ' LEU . 71.8 mt-10 -66.08 -36.85 84.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.036 179.188 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 392' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' A' ' 388' ' ' SER . 38.8 mm-40 -59.76 -42.0 92.29 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.42 179.064 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -62.2 -47.66 83.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.838 -0.619 . . . . 10.0 110.675 179.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 3.5 m -62.36 -39.64 93.8 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.253 -0.43 . . . . 10.0 111.747 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -72.03 -26.98 62.42 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 113.525 0.935 . . . . 10.0 113.525 -178.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 396' ' ' LYS . . . . . 0.592 ' HG2' ' HB2' ' D' ' 587' ' ' ALA . 13.7 mptt -102.61 -41.9 6.1 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 113.763 1.023 . . . . 10.0 113.763 -178.506 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 87.0 mt -77.52 -36.85 52.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.816 0.341 . . . . 10.0 110.901 -179.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 47.8 t30 . . . . . 0 C--N 1.323 -0.557 0 CA-C-N 116.176 -0.466 . . . . 10.0 110.93 -179.833 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 2.9 mm? . . . . . 0 N--CA 1.463 0.184 0 CA-C-O 121.156 0.503 . . . . 10.0 110.733 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -92.85 17.72 10.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.095 -0.502 . . . . 10.0 111.354 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 77.0 mt -69.97 -35.51 74.51 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.036 0.446 . . . . 10.0 110.032 179.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 67.2 mt -67.36 -35.75 79.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.724 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.57 -45.51 86.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.878 -0.601 . . . . 10.0 109.973 179.555 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 404' ' ' ASN . . . . . 0.421 ' O ' HG23 ' D' ' 408' ' ' VAL . 27.1 t-20 -68.87 -40.91 79.02 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.958 -0.565 . . . . 10.0 110.087 178.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 6.7 m95 -58.86 -36.5 74.7 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.857 -0.61 . . . . 10.0 110.57 179.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -58.76 -52.23 66.61 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.436 -0.579 . . . . 10.0 109.436 178.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.85 -36.5 76.99 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.542 -0.754 . . . . 10.0 110.62 178.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 408' ' ' VAL . . . . . 0.421 HG23 ' O ' ' D' ' 404' ' ' ASN . 79.6 t -67.55 -37.16 78.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.222 0.535 . . . . 10.0 109.846 178.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 15.8 m -67.8 -41.31 83.34 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.178 -0.675 . . . . 10.0 109.178 178.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 10.5 m -63.9 -44.78 91.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.596 179.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 411' ' ' THR . . . . . 0.434 ' O ' ' HG ' ' D' ' 415' ' ' LEU . 1.1 p -64.02 -32.77 74.44 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.214 0.53 . . . . 10.0 110.344 179.188 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 412' ' ' PHE . . . . . 0.439 ' HD1' HD12 ' D' ' 415' ' ' LEU . 2.1 m-85 -69.61 -39.34 77.29 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.312 -0.625 . . . . 10.0 109.312 177.753 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 27.3 m -68.29 -30.93 70.05 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.621 -0.718 . . . . 10.0 109.324 178.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 43.0 mmtt -67.09 -34.91 78.66 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.319 -0.623 . . . . 10.0 109.319 178.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 415' ' ' LEU . . . . . 0.439 HD12 ' HD1' ' D' ' 412' ' ' PHE . 87.5 mt -64.21 -39.4 93.9 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.032 -0.729 . . . . 10.0 109.032 178.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 416' ' ' ARG . . . . . 0.433 ' HA ' HD12 ' D' ' 419' ' ' LEU . 78.1 mtt180 -67.0 -35.34 79.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.632 -0.713 . . . . 10.0 110.665 179.39 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -64.39 -29.54 70.6 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-O 121.303 0.573 . . . . 10.0 109.584 178.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -84.16 -46.48 11.86 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.532 -0.758 . . . . 10.0 109.608 179.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 419' ' ' LEU . . . . . 0.433 HD12 ' HA ' ' D' ' 416' ' ' ARG . 59.3 mt -47.8 -42.34 25.73 Favored 'General case' 0 C--O 1.226 -0.16 0 CA-C-N 115.395 -0.821 . . . . 10.0 112.374 -179.35 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -53.4 -76.0 0.2 Allowed Glycine 0 CA--C 1.523 0.548 0 C-N-CA 120.903 -0.665 . . . . 10.0 112.629 179.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 421' ' ' PRO . . . . . 0.492 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 52.6 Cg_exo -57.63 -39.37 88.62 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 122.575 2.183 . . . . 10.0 112.152 179.645 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 19.5 t -58.54 -48.02 86.71 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.114 0 N-CA-C 112.307 0.484 . . . . 10.0 112.307 -179.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 34.2 p -68.61 -37.39 79.74 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.952 -0.299 . . . . 10.0 110.493 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -57.91 -53.3 59.76 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.07 179.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 425' ' ' GLU . . . . . 0.492 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 11.1 pt-20 -71.3 -27.27 63.29 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.165 -0.471 . . . . 10.0 110.777 179.27 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 426' ' ' PHE . . . . . 0.507 ' O ' ' HG ' ' D' ' 430' ' ' LEU . 42.0 t80 -65.17 -46.53 80.47 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.025 -0.732 . . . . 10.0 109.025 178.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 12.2 m95 -65.33 -36.97 85.64 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.987 -0.551 . . . . 10.0 109.866 178.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -66.79 -37.63 84.93 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.123 -0.695 . . . . 10.0 109.123 178.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 429' ' ' ASN . . . . . 0.436 ' OD1' ' HG2' ' A' ' 345' ' ' ARG . 4.4 t30 -67.98 -44.04 77.58 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.357 -0.838 . . . . 10.0 108.765 177.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 430' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' D' ' 426' ' ' PHE . 68.4 mt -57.81 -36.53 72.34 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 115.583 -0.735 . . . . 10.0 109.843 178.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -65.02 -44.81 87.94 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.041 178.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 39.7 mttp -62.83 -44.0 97.31 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.125 -0.694 . . . . 10.0 109.125 178.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 433' ' ' GLU . . . . . 0.492 ' HG2' HD21 ' A' ' 341' ' ' ASN . 29.7 mt-10 -63.02 -55.24 27.34 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.329 -0.85 . . . . 10.0 111.016 179.31 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 434' ' ' THR . . . . . 0.461 ' HB ' ' CZ ' ' D' ' 438' ' ' ARG . 13.6 p -56.8 -51.74 67.79 Favored 'General case' 0 C--O 1.224 -0.28 0 N-CA-C 111.384 0.142 . . . . 10.0 111.384 -179.268 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 435' ' ' GLU . . . . . 0.519 ' O ' ' HG3' ' D' ' 439' ' ' GLN . 53.4 mm-40 -59.2 -45.69 90.41 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 121.08 -0.248 . . . . 10.0 111.333 179.74 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -63.51 -46.23 92.92 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.873 -0.68 . . . . 10.0 111.633 179.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 437' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' D' ' 433' ' ' GLU . 96.6 mt -65.55 -33.55 76.18 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.738 0.304 . . . . 10.0 110.261 179.195 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 438' ' ' ARG . . . . . 0.461 ' CZ ' ' HB ' ' D' ' 434' ' ' THR . 56.1 mtt180 -65.94 -34.04 77.21 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.272 -0.422 . . . . 10.0 110.135 179.201 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 439' ' ' GLN . . . . . 0.519 ' HG3' ' O ' ' D' ' 435' ' ' GLU . 97.3 mt-30 -65.65 -40.95 93.01 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 108.46 -0.941 . . . . 10.0 108.46 178.353 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -69.12 -43.97 73.36 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.17 -0.923 . . . . 10.0 108.865 178.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 441' ' ' MET . . . . . 0.409 ' HB2' ' HA ' ' D' ' 438' ' ' ARG . 67.0 mmm -57.4 -48.49 78.94 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.192 -0.913 . . . . 10.0 111.954 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 442' ' ' SER . . . . . 0.429 ' O ' ' HG2' ' D' ' 446' ' ' GLU . 3.3 p -62.44 -49.42 75.52 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.629 0.252 . . . . 10.0 110.844 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -61.38 -36.39 80.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.008 -0.542 . . . . 10.0 111.013 179.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 444' ' ' ASP . . . . . 0.443 ' O ' HG23 ' D' ' 448' ' ' VAL . 4.9 t0 -73.34 -54.23 8.86 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.088 -0.506 . . . . 10.0 110.236 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 79.5 mt -56.07 -46.8 78.86 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.163 0.431 . . . . 10.0 112.163 -179.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 446' ' ' GLU . . . . . 0.429 ' HG2' ' O ' ' D' ' 442' ' ' SER . 6.6 mm-40 -61.76 -35.95 79.61 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.859 0.362 . . . . 10.0 110.647 -179.677 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 447' ' ' GLU . . . . . 0.567 ' O ' ' HB2' ' D' ' 451' ' ' LYS . 9.8 mt-10 -74.88 -35.02 62.29 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.0 -0.546 . . . . 10.0 109.781 178.651 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 448' ' ' VAL . . . . . 0.443 HG23 ' O ' ' D' ' 444' ' ' ASP . 26.6 t -61.31 -42.28 92.97 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.299 0 CA-C-N 116.145 -0.479 . . . . 10.0 110.026 179.11 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -59.51 -43.94 93.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.137 0.494 . . . . 10.0 110.694 179.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -84.26 -1.88 56.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.965 -0.561 . . . . 10.0 111.851 -179.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 451' ' ' LYS . . . . . 0.567 ' HB2' ' O ' ' D' ' 447' ' ' GLU . 2.2 ttmm -104.7 -43.07 5.22 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.451 -0.341 . . . . 10.0 110.757 179.596 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 42.1 t -60.31 -39.18 80.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.21 -0.45 . . . . 10.0 111.27 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 453' ' ' GLN . . . . . 0.424 ' HB2' ' HD3' ' D' ' 454' ' ' PRO . 78.0 mt-30 -57.14 -61.4 7.17 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-O 119.347 -0.358 . . . . 10.0 111.783 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 454' ' ' PRO . . . . . 0.424 ' HD3' ' HB2' ' D' ' 453' ' ' GLN . 37.6 Cg_endo -67.77 -29.69 35.16 Favored 'Trans proline' 0 C--N 1.355 0.908 0 C-N-CA 121.881 1.72 . . . . 10.0 112.011 179.092 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 455' ' ' TYR . . . . . 0.446 ' HB2' ' O ' ' D' ' 451' ' ' LYS . 5.7 t80 -66.51 -47.6 72.46 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.767 -0.457 . . . . 10.0 109.767 179.365 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 19.8 mt -68.65 -32.82 72.95 Favored 'General case' 0 CA--C 1.517 -0.301 0 N-CA-C 109.299 -0.63 . . . . 10.0 109.299 178.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -63.99 -52.66 58.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.818 -0.628 . . . . 10.0 109.963 178.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -62.33 -41.43 98.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.631 -0.713 . . . . 10.0 110.739 179.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -67.54 -44.93 77.14 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.099 -0.5 . . . . 10.0 111.061 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -64.5 -35.76 82.01 Favored 'General case' 0 C--O 1.222 -0.351 0 C-N-CA 120.993 -0.283 . . . . 10.0 110.239 179.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 62.5 mttt -65.51 -39.86 92.33 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 109.11 -0.7 . . . . 10.0 109.11 178.125 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 1.9 ttmm -66.5 -40.99 89.54 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.203 -0.908 . . . . 10.0 109.44 178.241 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 50.3 m0 -65.77 -39.84 91.41 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.187 -0.672 . . . . 10.0 109.187 178.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -61.56 -43.55 98.65 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.085 178.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 465' ' ' GLU . . . . . 0.508 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 45.8 mt-10 -61.44 -46.54 89.67 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.317 -0.623 . . . . 10.0 109.317 178.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.83 -44.71 92.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.912 -0.586 . . . . 10.0 110.294 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 61.2 mtm -63.53 -37.51 87.58 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.83 0.348 . . . . 10.0 110.09 178.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -63.67 -46.83 83.82 Favored 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 108.755 -0.831 . . . . 10.0 108.755 178.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 469' ' ' LEU . . . . . 0.515 HD22 ' HE3' ' D' ' 473' ' ' LYS . 95.6 mt -60.37 -35.01 74.69 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.62 -0.718 . . . . 10.0 110.296 179.372 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 12.9 m-30 -63.73 -35.51 80.82 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.712 -0.477 . . . . 10.0 109.712 178.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 471' ' ' ARG . . . . . 0.517 ' HA ' ' HG3' ' D' ' 475' ' ' GLU . 62.2 mtt180 -74.89 -21.22 59.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.916 -0.584 . . . . 10.0 111.346 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -109.43 3.76 21.74 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.156 0.428 . . . . 10.0 112.156 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 473' ' ' LYS . . . . . 0.515 ' HE3' HD22 ' D' ' 469' ' ' LEU . 88.9 mttt -134.35 -61.41 0.78 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.545 0.202 . . . . 10.0 111.545 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 85.5 t -63.45 -38.0 81.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.703 0.287 . . . . 10.0 110.676 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 475' ' ' GLU . . . . . 0.517 ' HG3' ' HA ' ' D' ' 471' ' ' ARG . 24.2 mm-40 -59.06 -60.88 9.09 Favored Pre-proline 0 CA--C 1.537 0.457 0 CA-C-N 116.019 -0.537 . . . . 10.0 111.683 178.707 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -60.74 -37.55 77.83 Favored 'Trans proline' 0 C--N 1.354 0.851 0 C-N-CA 122.0 1.8 . . . . 10.0 110.956 178.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 17.0 mt -62.57 -36.8 83.82 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.35 -0.386 . . . . 10.0 110.071 179.172 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 19.4 mtt180 -59.96 -33.51 72.03 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.937 -0.394 . . . . 10.0 109.937 178.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -80.6 -46.56 15.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.716 -0.675 . . . . 10.0 110.569 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -63.07 -42.12 99.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.023 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 56.5 mt -73.47 -23.49 60.08 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 110.006 -0.368 . . . . 10.0 110.006 178.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -69.67 -49.56 52.41 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 108.245 -1.02 . . . . 10.0 108.245 178.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.13 -38.79 92.34 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.515 -0.766 . . . . 10.0 109.099 178.604 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -64.44 -42.41 97.61 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 110.95 -0.86 . . . . 10.0 110.95 178.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -67.3 -36.22 81.06 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 109.419 -0.586 . . . . 10.0 109.419 178.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 89.7 mtt180 -63.96 -41.12 97.66 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 109.219 -0.66 . . . . 10.0 109.219 178.087 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -64.71 -43.37 93.68 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 108.822 -0.807 . . . . 10.0 108.822 178.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -62.11 -44.8 95.85 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.986 -0.552 . . . . 10.0 109.927 179.052 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 47.6 mt -63.06 -38.36 90.88 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.556 -0.535 . . . . 10.0 109.556 178.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -62.41 -46.56 88.04 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.71 -0.848 . . . . 10.0 108.71 178.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 491' ' ' GLU . . . . . 0.411 ' O ' ' HD2' ' D' ' 495' ' ' LYS . 41.3 mt-10 -59.25 -48.18 82.58 Favored 'General case' 0 C--O 1.232 0.146 0 N-CA-C 108.669 -0.863 . . . . 10.0 108.669 178.38 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 94.3 mt -59.2 -54.59 45.2 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 115.271 -0.877 . . . . 10.0 111.625 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -59.33 -38.58 80.68 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.086 0.402 . . . . 10.0 112.086 -179.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -70.14 -4.83 23.24 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 121.193 0.52 . . . . 10.0 111.375 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 495' ' ' LYS . . . . . 0.478 ' HE3' HD22 ' A' ' 279' ' ' LEU . 15.5 mttp -114.26 -34.92 5.16 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.829 -0.623 . . . . 10.0 109.713 178.07 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 76.3 mt -62.18 -28.57 69.76 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 115.839 -0.619 . . . . 10.0 110.979 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 497' ' ' SER . . . . . 0.453 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 1.6 m -75.92 -63.1 0.66 Allowed Pre-proline 0 C--N 1.321 -0.64 0 C-N-CA 120.929 -0.308 . . . . 10.0 111.447 179.154 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 498' ' ' PRO . . . . . 0.453 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 27.5 Cg_endo -62.26 -49.13 6.62 Favored 'Trans proline' 0 C--N 1.356 0.971 0 C-N-CA 121.756 1.637 . . . . 10.0 112.288 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 499' ' ' LEU . . . . . 0.632 HD21 ' HG2' ' A' ' 275' ' ' LYS . 90.8 mt -69.31 -32.06 70.95 Favored 'General case' 0 CA--C 1.519 -0.217 0 N-CA-C 110.407 -0.22 . . . . 10.0 110.407 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -66.62 -50.28 49.9 Favored Glycine 0 N--CA 1.449 -0.495 0 N-CA-C 110.823 -0.911 . . . . 10.0 110.823 179.092 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 501' ' ' GLU . . . . . 0.454 ' OE2' ' HD2' ' D' ' 504' ' ' ARG . 5.5 mm-40 -63.6 -34.92 78.89 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 109.555 -0.535 . . . . 10.0 109.555 178.689 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 502' ' ' GLU . . . . . 0.551 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 32.0 tt0 -67.17 -41.8 85.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.792 -0.64 . . . . 10.0 109.553 178.576 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 503' ' ' MET . . . . . 0.532 ' HA ' ' HD2' ' D' ' 506' ' ' ARG . 64.9 mmm -64.34 -37.93 89.25 Favored 'General case' 0 CA--C 1.521 -0.151 0 N-CA-C 109.577 -0.527 . . . . 10.0 109.577 178.709 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 504' ' ' ARG . . . . . 0.454 ' HD2' ' OE2' ' D' ' 501' ' ' GLU . 75.0 mtt180 -68.08 -34.39 76.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.729 -0.669 . . . . 10.0 109.374 178.519 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -70.41 -40.21 73.99 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 109.316 -0.624 . . . . 10.0 109.316 178.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 506' ' ' ARG . . . . . 0.551 ' HG3' ' O ' ' D' ' 502' ' ' GLU . 46.9 mtt180 -60.7 -44.13 96.93 Favored 'General case' 0 CA--C 1.518 -0.26 0 N-CA-C 107.943 -1.132 . . . . 10.0 107.943 177.592 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -58.79 -40.64 84.61 Favored 'General case' 0 C--O 1.225 -0.23 0 CA-C-N 115.249 -0.887 . . . . 10.0 109.958 178.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 508' ' ' ARG . . . . . 0.436 HH11 ' HD2' ' D' ' 508' ' ' ARG . 57.7 mtt85 -62.73 -48.07 80.82 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.433 -0.58 . . . . 10.0 109.433 178.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 509' ' ' ALA . . . . . 0.541 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -59.68 -41.12 89.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.853 -0.612 . . . . 10.0 111.132 179.733 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 510' ' ' HIS . . . . . 0.578 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 21.9 m-70 -71.89 -47.53 52.08 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.875 179.51 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 31.2 t -63.58 -43.25 98.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.714 0.292 . . . . 10.0 111.022 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -65.64 -31.09 71.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.129 0.49 . . . . 10.0 110.062 179.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 513' ' ' ALA . . . . . 0.421 ' HB2' ' NZ ' ' A' ' 264' ' ' LYS . . . -69.09 -44.7 71.97 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 108.122 -1.066 . . . . 10.0 108.122 177.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 514' ' ' LEU . . . . . 0.673 ' HA ' ' HB2' ' D' ' 517' ' ' HIS . 90.6 mt -59.8 -26.61 65.89 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.469 -0.787 . . . . 10.0 110.657 179.031 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 515' ' ' ARG . . . . . 0.503 ' O ' ' HD3' ' D' ' 520' ' ' PRO . 76.3 mtt180 -63.91 -31.9 73.25 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.764 -0.458 . . . . 10.0 109.764 178.705 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.47 10.18 23.24 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.439 0.638 . . . . 10.0 110.215 179.507 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 517' ' ' HIS . . . . . 0.673 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 26.1 m170 -115.61 -59.98 1.93 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.89 -0.595 . . . . 10.0 110.556 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 69.6 mt -80.58 -55.42 4.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.973 -0.558 . . . . 10.0 111.622 -179.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 519' ' ' ALA . . . . . 0.59 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -47.93 -56.17 14.7 Favored Pre-proline 0 N--CA 1.467 0.418 0 N-CA-C 113.585 0.957 . . . . 10.0 113.585 -178.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 520' ' ' PRO . . . . . 0.59 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 31.9 Cg_exo -63.02 -35.6 64.62 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 121.832 1.688 . . . . 10.0 110.914 179.045 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 521' ' ' TYR . . . . . 0.502 ' HB2' ' O ' ' D' ' 517' ' ' HIS . 10.5 t80 -67.03 -36.29 81.77 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.078 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 522' ' ' SER . . . . . 0.505 ' O ' ' HG3' ' D' ' 526' ' ' ARG . 5.2 m -60.26 -39.93 88.54 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 108.437 -0.949 . . . . 10.0 108.437 178.348 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 523' ' ' ASP . . . . . 0.489 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 35.2 t70 -69.79 -42.85 73.21 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.206 -0.906 . . . . 10.0 110.243 179.45 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -64.82 -33.76 76.75 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.231 0.539 . . . . 10.0 109.704 178.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 525' ' ' LEU . . . . . 0.406 HD23 ' HD2' ' D' ' 528' ' ' ARG . 15.0 mt -68.58 -33.24 73.73 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-N 115.5 -0.773 . . . . 10.0 109.946 178.015 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 526' ' ' ARG . . . . . 0.505 ' HG3' ' O ' ' D' ' 522' ' ' SER . 69.7 mtt180 -58.82 -39.41 81.11 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.379 179.461 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -63.53 -43.34 97.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.841 -0.618 . . . . 10.0 109.889 179.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 528' ' ' ARG . . . . . 0.557 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 77.4 mtt180 -69.59 -49.15 56.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.421 -0.809 . . . . 10.0 110.433 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 92.6 mt -59.51 -35.72 74.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.931 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -66.26 -36.21 82.41 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.902 -0.407 . . . . 10.0 109.902 179.069 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -73.57 -42.68 61.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.696 -0.684 . . . . 10.0 109.178 179.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 532' ' ' ARG . . . . . 0.41 ' O ' ' HG ' ' D' ' 536' ' ' LEU . 18.7 ttm180 -61.73 -45.98 91.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.585 -0.734 . . . . 10.0 109.357 178.734 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 48.8 mt -66.59 -32.32 73.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.773 -0.649 . . . . 10.0 110.004 178.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 534' ' ' GLU . . . . . 0.47 ' HA ' ' HE3' ' D' ' 537' ' ' LYS . 37.4 tt0 -66.63 -44.98 80.57 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 108.993 -0.743 . . . . 10.0 108.993 178.518 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -62.57 -41.72 99.1 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 108.871 -0.789 . . . . 10.0 108.871 177.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 536' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' D' ' 532' ' ' ARG . 94.5 mt -66.39 -28.43 68.63 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.581 -0.736 . . . . 10.0 110.472 178.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 537' ' ' LYS . . . . . 0.47 ' HE3' ' HA ' ' D' ' 534' ' ' GLU . 41.8 mtmt -77.5 -43.5 31.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.356 -0.384 . . . . 10.0 110.121 178.613 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -65.79 -48.53 71.48 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 109.761 -0.459 . . . . 10.0 109.761 179.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -66.75 -36.31 82.15 Favored 'General case' 0 CA--C 1.512 -0.483 0 N-CA-C 108.629 -0.878 . . . . 10.0 108.629 178.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -62.05 -46.45 94.0 Favored Glycine 0 N--CA 1.443 -0.836 0 N-CA-C 111.292 -0.723 . . . . 10.0 111.292 179.172 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -60.21 -43.85 98.03 Favored Glycine 0 N--CA 1.449 -0.438 0 N-CA-C 111.057 -0.817 . . . . 10.0 111.057 178.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -64.76 -49.3 71.32 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.942 -0.392 . . . . 10.0 109.942 178.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 543' ' ' ARG . . . . . 0.457 HH11 ' HD2' ' D' ' 543' ' ' ARG . 59.2 mtt85 -61.27 -34.51 75.3 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.997 179.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 42.0 mt -64.92 -41.68 95.34 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.282 -0.636 . . . . 10.0 109.282 178.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -65.69 -43.87 87.92 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.116 -0.698 . . . . 10.0 109.116 178.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -62.93 -43.04 99.88 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 115.892 -0.594 . . . . 10.0 110.009 178.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -60.52 -47.92 84.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.684 -0.689 . . . . 10.0 110.261 179.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 32.1 m-70 -65.35 -39.95 93.01 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.482 -0.326 . . . . 10.0 110.885 179.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -65.46 -47.94 74.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.4 179.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 550' ' ' LYS . . . . . 0.437 ' O ' ' HB2' ' D' ' 554' ' ' HIS . 10.9 mptt -66.94 -29.68 69.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.498 . . . . 10.0 110.295 179.221 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -64.62 -42.75 95.29 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.566 -0.531 . . . . 10.0 109.566 178.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -69.2 -42.75 75.36 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.393 -0.367 . . . . 10.0 110.172 178.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -60.93 -45.24 95.47 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.417 -0.586 . . . . 10.0 109.417 178.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 554' ' ' HIS . . . . . 0.437 ' HB2' ' O ' ' D' ' 550' ' ' LYS . 0.7 OUTLIER -64.94 -38.47 91.06 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.475 -0.784 . . . . 10.0 109.547 179.029 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 29.2 tp -62.09 -44.89 95.68 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.067 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 24.2 m -63.53 -42.84 98.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.044 -0.526 . . . . 10.0 109.761 178.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 9.8 m -66.83 -37.27 84.17 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.89 -0.595 . . . . 10.0 110.117 179.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 27.3 mt -62.17 -51.37 68.11 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.545 178.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 2.2 p -65.9 -36.72 84.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.604 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -61.23 -31.12 70.9 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 115.878 -0.601 . . . . 10.0 111.03 179.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 561' ' ' LYS . . . . . 0.409 ' O ' ' HD2' ' D' ' 564' ' ' PRO . 0.0 OUTLIER -96.47 -40.68 8.96 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 121.101 -0.24 . . . . 10.0 111.395 -179.764 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -57.64 -43.86 85.2 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.491 0.552 . . . . 10.0 112.491 -179.003 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 563' ' ' LYS . . . . . 0.736 ' HB2' ' HD3' ' D' ' 564' ' ' PRO . 94.6 mttt -56.42 -60.59 8.68 Favored Pre-proline 0 CA--C 1.536 0.408 0 N-CA-C 112.553 0.575 . . . . 10.0 112.553 -179.742 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 564' ' ' PRO . . . . . 0.736 ' HD3' ' HB2' ' D' ' 563' ' ' LYS . 31.7 Cg_exo -63.49 -41.37 26.2 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 122.155 1.903 . . . . 10.0 111.734 179.372 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -60.35 -53.57 56.0 Favored 'General case' 0 C--N 1.331 -0.201 0 O-C-N 123.284 0.365 . . . . 10.0 110.919 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 45.4 mt -60.73 -40.47 92.5 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.625 -0.262 . . . . 10.0 110.913 179.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -62.84 -47.28 84.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.878 0.37 . . . . 10.0 110.49 179.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -64.21 -38.85 92.51 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.118 179.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 569' ' ' LEU . . . . . 0.469 HD21 HD21 ' A' ' 206' ' ' ASN . 69.6 mt -65.92 -42.03 90.62 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.241 178.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 83.7 mtt180 -66.13 -46.1 78.7 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.216 0.531 . . . . 10.0 110.404 179.257 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -74.87 -6.8 51.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.676 -0.693 . . . . 10.0 110.815 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -104.39 -35.41 3.35 Favored Glycine 0 N--CA 1.451 -0.364 0 N-CA-C 111.179 -0.769 . . . . 10.0 111.179 179.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 573' ' ' LEU . . . . . 0.585 ' HA ' HG12 ' D' ' 576' ' ' VAL . 30.0 mt -70.39 -41.33 73.19 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.728 -0.236 . . . . 10.0 110.525 179.056 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 574' ' ' LEU . . . . . 0.42 ' O ' ' HG2' ' D' ' 578' ' ' GLU . 92.4 mt -50.44 -59.29 7.51 Favored Pre-proline 0 CA--C 1.534 0.364 0 N-CA-C 112.295 0.479 . . . . 10.0 112.295 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -68.14 -38.01 13.32 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 122.01 1.806 . . . . 10.0 112.522 179.115 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 576' ' ' VAL . . . . . 0.585 HG12 ' HA ' ' D' ' 573' ' ' LEU . 0.4 OUTLIER -64.1 -37.4 79.75 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.157 0 C-N-CA 120.905 -0.318 . . . . 10.0 110.735 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' D' D ' 577' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' D' ' 573' ' ' LEU . 67.1 mt -66.99 -37.34 84.05 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 109.103 -0.703 . . . . 10.0 109.103 178.177 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 578' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' D' ' 574' ' ' LEU . 75.6 mm-40 -61.57 -43.59 98.58 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 109.36 -0.607 . . . . 10.0 109.36 178.433 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 8.9 m -63.68 -45.33 90.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.647 -0.706 . . . . 10.0 109.531 178.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -60.73 -42.31 97.07 Favored 'General case' 0 C--N 1.335 -0.056 0 CA-C-N 115.899 -0.592 . . . . 10.0 110.966 179.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -53.88 -45.89 71.19 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 109.989 -0.375 . . . . 10.0 109.989 179.051 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 65.6 t -61.8 -49.67 83.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.932 -0.576 . . . . 10.0 111.257 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.24 -27.53 67.3 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 112.402 0.519 . . . . 10.0 112.402 -179.288 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 584' ' ' PHE . . . . . 0.449 ' O ' ' HG ' ' D' ' 588' ' ' LEU . 9.9 m-85 -80.37 -44.88 18.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.675 -0.239 . . . . 10.0 111.105 179.26 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 59.4 mt -59.85 -43.81 94.46 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.944 0.402 . . . . 10.0 110.84 179.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 3.4 p -64.0 -39.38 93.99 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.055 -0.52 . . . . 10.0 109.972 179.343 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 587' ' ' ALA . . . . . 0.592 ' HB2' ' HG2' ' A' ' 396' ' ' LYS . . . -63.27 -47.82 80.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.903 -0.59 . . . . 10.0 110.697 179.262 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 588' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' D' ' 584' ' ' PHE . 90.5 mt -56.39 -47.64 78.56 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.796 179.502 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -62.18 -41.94 98.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 10.0 111.118 179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 590' ' ' GLU . . . . . 0.415 ' HG3' ' NZ ' ' A' ' 396' ' ' LYS . 5.1 mm-40 -67.71 -45.69 74.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.132 -0.485 . . . . 10.0 111.889 -179.545 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -63.05 -34.55 77.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.876 0.37 . . . . 10.0 111.074 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 12.2 m -77.35 -26.83 52.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.767 179.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 25.6 ttmt -75.68 -42.33 51.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.102 -0.499 . . . . 10.0 109.819 179.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 594' ' ' LYS . . . . . 0.457 ' HE2' ' HB2' ' A' ' 388' ' ' SER . 6.1 mptt -75.09 -45.15 43.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.758 -0.656 . . . . 10.0 110.748 179.568 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 18.2 mt -97.18 64.48 1.94 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.682 -0.488 . . . . 10.0 109.682 179.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 . . . . . 0 C--N 1.322 -0.611 0 CA-C-N 116.098 -0.501 . . . . 10.0 111.449 -179.293 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 46.6 m . . . . . 0 N--CA 1.456 -0.171 0 CA-C-O 120.85 0.357 . . . . 10.0 110.954 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.17 128.33 55.42 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.493 -0.322 . . . . 10.0 110.154 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 73.2 tt0 -87.45 139.2 30.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.623 0.249 . . . . 10.0 110.55 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' TYR . . . . . 0.456 ' CD2' ' HB3' ' B' ' 51' ' ' CYS . 99.5 m-85 -131.68 109.86 10.48 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.194 179.737 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.793 ' HA ' ' HB3' ' B' ' 54' ' ' ASP . 46.4 mttm -79.61 108.26 13.02 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.266 -0.424 . . . . 10.0 110.483 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.626 HD11 HD22 ' B' ' 53' ' ' LEU . 17.6 mt -108.5 113.43 26.45 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.867 -0.606 . . . . 10.0 110.473 -179.115 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 89.5 t -100.84 123.0 53.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 N-CA-C 109.999 -0.371 . . . . 10.0 109.999 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.425 HG11 ' HB2' ' B' ' 16' ' ' LYS . 2.6 t -86.93 113.3 24.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.516 -0.55 . . . . 10.0 109.516 -179.524 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.5 m -111.64 152.63 13.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.834 -179.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 143.63 163.76 10.0 Favored Glycine 0 N--CA 1.444 -0.795 0 N-CA-C 111.122 -0.791 . . . . 10.0 111.122 -179.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.36 174.15 6.01 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.101 0.477 . . . . 10.0 111.092 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.48 145.24 27.51 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.906 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 92.94 8.29 61.92 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.975 -0.631 . . . . 10.0 112.284 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 32.0 m -90.83 -24.36 5.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.663 0.268 . . . . 10.0 111.156 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 100.33 22.56 11.42 Favored Glycine 0 CA--C 1.518 0.228 0 C-N-CA 120.921 -0.657 . . . . 10.0 113.113 179.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . 0.439 ' HE2' ' OD1' ' B' ' 57' ' ' ASP . 2.3 ptmt -65.38 -25.59 67.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.112 0.482 . . . . 10.0 111.621 -179.691 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.57 -45.85 15.28 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 109.017 -0.735 . . . . 10.0 109.017 178.359 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.17 -44.48 83.54 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.612 -0.722 . . . . 10.0 111.118 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 27.1 mt -59.5 -44.46 93.11 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.925 0.393 . . . . 10.0 110.773 179.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 21.6 m -65.6 -43.18 90.47 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.11 -0.495 . . . . 10.0 111.34 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 98.7 mt -62.76 -33.01 57.7 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 CA-C-O 121.118 0.485 . . . . 10.0 110.905 179.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' GLN . . . . . 0.587 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 7.5 mm-40 -70.74 -19.3 62.75 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.967 179.753 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 8.2 tp -94.12 -36.94 11.85 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.317 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.415 HD11 HD12 ' B' ' 55' ' ' ILE . 51.3 mm -82.4 -67.16 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.899 -179.324 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . 0.606 ' HB3' ' HD2' ' B' ' 27' ' ' HIS . 87.6 mt-30 -86.88 -13.71 44.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.763 0.316 . . . . 10.0 111.47 -179.275 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . 0.587 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 50.5 m-80 64.33 41.72 5.71 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 113.429 0.9 . . . . 10.0 113.429 178.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . 0.606 ' HD2' ' HB3' ' B' ' 25' ' ' GLN . 11.8 p80 -146.09 164.12 33.14 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.226 -0.443 . . . . 10.0 109.832 178.606 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -110.69 130.68 55.51 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.937 0.399 . . . . 10.0 111.605 -178.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 3.0 m -89.94 121.72 40.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.458 179.137 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -81.41 -26.38 35.44 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.028 0.442 . . . . 10.0 110.606 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -86.72 149.37 24.93 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.971 -0.559 . . . . 10.0 110.635 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -96.36 107.74 20.16 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.08 0.467 . . . . 10.0 111.618 -179.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -112.12 118.09 46.69 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 115.37 -0.832 . . . . 10.0 109.028 179.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -61.67 151.61 79.26 Favored 'Trans proline' 0 CA--C 1.533 0.462 0 C-N-CA 123.158 2.572 . . . . 10.0 112.799 -179.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 1.4 m -119.54 117.7 29.07 Favored 'General case' 0 C--N 1.332 -0.192 0 O-C-N 122.249 -0.282 . . . . 10.0 110.762 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 47.6 mm -88.07 -48.55 15.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 108.295 -1.002 . . . . 10.0 108.295 178.275 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -175.52 96.8 0.07 Allowed 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.478 -0.783 . . . . 10.0 109.433 179.29 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -131.89 127.29 36.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.507 -0.315 . . . . 10.0 110.31 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 22.2 p -117.47 149.31 40.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.376 -0.375 . . . . 10.0 111.308 -179.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -132.15 146.76 52.24 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.156 -0.474 . . . . 10.0 110.196 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 2.2 mpp_? -112.89 132.55 55.26 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.037 -0.528 . . . . 10.0 109.75 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . 0.424 ' HE3' ' CG1' ' B' ' 44' ' ' VAL . 54.4 tttp -143.51 125.37 15.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.754 0.311 . . . . 10.0 111.325 -179.322 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -98.94 116.58 31.49 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.434 -0.348 . . . . 10.0 110.105 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . 0.424 ' CG1' ' HE3' ' B' ' 42' ' ' LYS . 0.9 OUTLIER -133.28 164.35 35.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.888 0.375 . . . . 10.0 111.512 -179.152 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 21.7 t -102.61 98.58 7.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.907 -0.588 . . . . 10.0 109.504 179.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . 0.689 ' HA ' ' HD2' ' C' ' 128' ' ' LYS . 17.4 mt -108.0 122.49 62.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.969 -0.56 . . . . 10.0 110.534 -179.369 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . 0.561 ' H ' ' HD2' ' C' ' 128' ' ' LYS . 2.6 m-20 58.52 32.64 22.36 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.292 -0.867 . . . . 10.0 111.459 179.548 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.75 7.29 87.56 Favored Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 115.949 -0.569 . . . . 10.0 113.488 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -117.31 143.96 45.38 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.959 0.379 . . . . 10.0 111.47 -179.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.55 104.36 13.61 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.381 -0.599 . . . . 10.0 109.381 178.555 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' CYS . . . . . 0.456 ' HB3' ' CD2' ' B' ' 4' ' ' TYR . 3.5 m -105.42 136.39 45.06 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 112.356 0.502 . . . . 10.0 112.356 -178.101 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 66.2 tp -103.31 103.81 13.87 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.355 -0.98 . . . . 10.0 108.355 177.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . 0.626 HD22 HD11 ' B' ' 6' ' ' LEU . 51.4 mt -78.03 121.31 24.06 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 112.758 0.651 . . . . 10.0 112.758 -178.242 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . 0.793 ' HB3' ' HA ' ' B' ' 5' ' ' LYS . 33.9 t70 -106.9 75.95 1.07 Allowed 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 107.578 -1.267 . . . . 10.0 107.578 178.291 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' ILE . . . . . 0.418 ' H ' HG13 ' B' ' 55' ' ' ILE . 3.9 mt -79.09 136.38 23.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.54 -0.755 . . . . 10.0 111.581 -177.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 53.7 tp -139.03 106.41 5.53 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.714 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . 0.439 ' OD1' ' HE2' ' B' ' 16' ' ' LYS . 20.6 t0 -83.97 121.21 27.08 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.485 -0.561 . . . . 10.0 109.485 178.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 22.8 p -98.33 162.61 13.09 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.049 -0.523 . . . . 10.0 111.434 -178.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.91 127.07 31.8 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.738 -0.664 . . . . 10.0 110.979 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -102.35 15.87 55.77 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.716 -0.755 . . . . 10.0 111.463 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -92.48 20.72 5.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.719 0.295 . . . . 10.0 111.313 -179.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 59.2 -155.28 0.36 Allowed 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.872 -179.529 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 74.3 -44.74 0.57 Allowed 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.14 0.576 . . . . 10.0 111.684 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' TYR . . . . . 0.543 ' O ' ' HB2' ' B' ' 68' ' ' ARG . 93.4 m-85 -76.43 68.68 2.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.12 0.486 . . . . 10.0 110.833 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.77 -57.72 3.53 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.905 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.18 -20.04 52.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.033 -0.53 . . . . 10.0 111.071 -179.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.05 -31.96 44.71 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.712 179.7 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' ARG . . . . . 0.577 ' HA ' ' HD2' ' B' ' 71' ' ' TYR . 11.5 ttp180 -66.16 -31.02 71.61 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 116.134 -0.485 . . . . 10.0 111.624 -179.48 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -59.58 -37.1 77.61 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.384 0.612 . . . . 10.0 109.948 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -63.49 -39.74 95.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.331 -0.85 . . . . 10.0 111.262 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 71' ' ' TYR . . . . . 0.577 ' HD2' ' HA ' ' B' ' 68' ' ' ARG . 44.4 m-85 -71.43 -42.69 67.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.104 0.478 . . . . 10.0 110.575 179.729 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . 0.445 ' SD ' ' HG2' ' B' ' 99' ' ' GLN . 66.2 mtt -63.22 -32.05 73.36 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.517 -0.765 . . . . 10.0 112.991 -178.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . 0.442 HH11 ' HD2' ' B' ' 73' ' ' ARG . 39.3 ttm180 -78.27 -4.72 49.26 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.216 0.531 . . . . 10.0 111.515 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 5.5 m -109.4 -44.41 3.91 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 122.136 -0.353 . . . . 10.0 111.366 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.59 152.28 52.25 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.787 -0.72 . . . . 10.0 113.456 -179.092 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -103.78 -48.55 3.9 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.325 0.584 . . . . 10.0 109.908 179.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -108.59 130.4 10.04 Favored Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 110.919 -0.872 . . . . 10.0 110.919 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . 0.835 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 96.9 m-85 -110.68 115.93 30.43 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.282 0.563 . . . . 10.0 111.603 -179.547 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.5 HD13 HD22 ' B' ' 159' ' ' LEU . 12.3 tp -90.1 102.6 15.31 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.563 -0.744 . . . . 10.0 109.864 179.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 3.6 m -85.35 94.22 8.9 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.209 -0.451 . . . . 10.0 109.873 -179.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . 0.42 HG22 ' HB ' ' B' ' 114' ' ' VAL . 42.3 t -101.06 125.49 54.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.144 -0.48 . . . . 10.0 111.341 -178.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 82' ' ' PHE . . . . . 0.798 ' HB2' ' HB2' ' B' ' 89' ' ' SER . 42.7 p90 -132.67 150.45 52.16 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.193 -0.458 . . . . 10.0 109.855 179.124 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -87.66 127.15 35.29 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.313 -0.625 . . . . 10.0 109.313 179.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . 0.732 HD11 ' HA ' ' B' ' 118' ' ' CYS . 25.0 pt -65.52 -15.47 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 112.347 0.499 . . . . 10.0 112.347 -179.225 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -89.65 -11.34 42.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.89 0.376 . . . . 10.0 110.78 179.304 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 43.4 t-20 -116.64 108.84 16.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.293 -179.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 3.1 m -65.38 -33.92 77.09 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.709 0.633 . . . . 10.0 112.709 -179.34 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -56.27 -44.31 79.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.464 -0.335 . . . . 10.0 111.359 -179.196 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . 0.798 ' HB2' ' HB2' ' B' ' 82' ' ' PHE . 0.0 OUTLIER -63.81 -33.92 76.77 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.775 0.287 . . . . 10.0 111.775 -179.722 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . 0.412 ' HE1' ' HA ' ' B' ' 130' ' ' ALA . 71.3 t80 -67.13 -46.41 74.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.299 -0.409 . . . . 10.0 111.209 -179.383 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -73.41 -27.12 61.28 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.945 0.402 . . . . 10.0 111.467 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -71.36 -17.98 62.39 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.225 0.454 . . . . 10.0 112.225 -179.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 28.3 mm -53.62 -46.46 61.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.796 0.331 . . . . 10.0 110.906 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -63.83 -38.31 90.61 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.472 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -61.93 -41.51 98.03 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.029 -0.532 . . . . 10.0 111.002 -179.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 96' ' ' TYR . . . . . 0.403 ' O ' HG13 ' B' ' 100' ' ' ILE . 42.5 m-85 -76.6 -38.38 54.9 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.267 179.374 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 23.2 ttt180 -58.92 -46.48 87.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.016 -0.538 . . . . 10.0 111.587 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -62.51 -36.46 82.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 10.0 111.67 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 99' ' ' GLN . . . . . 0.445 ' HG2' ' SD ' ' B' ' 72' ' ' MET . 58.5 tt0 -67.39 -43.72 80.66 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.53 -0.544 . . . . 10.0 109.53 179.102 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . 0.403 HG13 ' O ' ' B' ' 96' ' ' TYR . 91.9 mt -57.67 -49.68 79.9 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.393 179.484 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 3.8 mtmp? -65.25 -30.93 71.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.049 -0.523 . . . . 10.0 111.216 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -72.32 -51.71 19.49 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.181 -0.463 . . . . 10.0 111.524 -179.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 95.8 t -64.36 -49.39 81.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.893 -0.594 . . . . 10.0 111.548 -178.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -72.83 -15.58 61.62 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.856 0.317 . . . . 10.0 111.856 -179.033 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 33.1 t0 57.87 63.86 1.68 Allowed 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.492 0.663 . . . . 10.0 111.504 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 11.0 t -160.28 157.72 28.58 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.394 -0.821 . . . . 10.0 109.477 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -97.37 -30.05 13.16 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.174 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -106.4 103.84 13.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.413 -0.358 . . . . 10.0 110.99 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . 0.438 ' HA ' ' HD3' ' B' ' 110' ' ' PRO . 55.2 t -118.86 131.84 24.16 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 116.197 -0.456 . . . . 10.0 109.87 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 110' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 24.7 Cg_exo -65.12 104.12 0.57 Allowed 'Trans proline' 0 C--O 1.236 0.384 0 C-N-CA 122.969 2.446 . . . . 10.0 111.474 179.312 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 111' ' ' MET . . . . . 0.835 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 66.6 mtm -139.58 153.47 47.4 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.521 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 68.2 t -133.41 131.35 57.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 109.222 -0.658 . . . . 10.0 109.222 178.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . 0.455 ' HB3' ' HD1' ' B' ' 141' ' ' PHE . 11.0 tp -86.2 119.07 26.09 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.735 -0.468 . . . . 10.0 109.735 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 114' ' ' VAL . . . . . 0.42 ' HB ' HG22 ' B' ' 81' ' ' VAL . 79.5 t -121.22 127.93 75.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 120.992 0.425 . . . . 10.0 111.454 -178.508 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -105.43 117.22 5.47 Favored Glycine 0 N--CA 1.446 -0.671 0 N-CA-C 110.298 -1.121 . . . . 10.0 110.298 178.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -100.87 166.23 10.95 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 117.147 0.474 . . . . 10.0 111.132 -179.053 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 95.9 mttt 67.1 33.93 5.35 Favored 'General case' 0 N--CA 1.462 0.17 0 O-C-N 123.705 0.628 . . . . 10.0 112.215 179.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 118' ' ' CYS . . . . . 0.732 ' HA ' HD11 ' B' ' 84' ' ' ILE . 54.7 m -69.64 -6.96 34.91 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.063 0.394 . . . . 10.0 112.063 179.362 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.79 -29.85 29.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.526 179.342 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 43.9 mt -65.83 127.14 92.89 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 115.911 -0.586 . . . . 10.0 111.951 -178.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -72.81 167.68 26.59 Favored 'Trans proline' 0 C--O 1.236 0.379 0 C-N-CA 122.453 2.102 . . . . 10.0 111.571 179.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 12.7 m 60.2 46.03 10.88 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.821 -0.627 . . . . 10.0 111.677 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 1.7 ptp180 -63.07 142.45 58.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.303 -0.862 . . . . 10.0 111.16 179.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.52 -46.89 8.35 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.671 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 45.7 t -87.67 122.18 39.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.385 -0.37 . . . . 10.0 110.1 179.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -87.2 156.42 19.68 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.105 -0.498 . . . . 10.0 109.756 179.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.29 -42.27 98.37 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.542 -0.299 . . . . 10.0 111.038 -179.26 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 128' ' ' LYS . . . . . 0.997 ' HB2' ' HA ' ' C' ' 47' ' ' ASP . 18.5 pttt -54.81 -50.79 67.68 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.675 0.62 . . . . 10.0 112.675 -179.219 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -69.95 -35.78 74.76 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 111.915 0.339 . . . . 10.0 111.915 -179.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 130' ' ' ALA . . . . . 0.412 ' HA ' ' HE1' ' B' ' 90' ' ' PHE . . . -70.96 -42.57 69.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.247 0.546 . . . . 10.0 110.872 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -70.03 -34.35 73.16 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.816 -0.629 . . . . 10.0 111.802 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -68.26 -35.47 77.95 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 109.726 -0.472 . . . . 10.0 109.726 178.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 16.1 tp -65.39 -43.84 89.41 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 108.825 -0.806 . . . . 10.0 108.825 178.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.4 -35.81 82.06 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.53 -0.759 . . . . 10.0 109.913 178.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -61.09 -41.09 96.02 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.782 -0.645 . . . . 10.0 110.043 179.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 20.1 m -72.33 -25.19 61.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.69 179.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 17.1 m-30 -82.78 -26.54 31.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.518 179.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 86.36 18.95 58.05 Favored Glycine 0 N--CA 1.45 -0.409 0 N-CA-C 111.487 -0.645 . . . . 10.0 111.487 -179.101 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 139' ' ' ILE . . . . . 0.415 ' HA ' ' HD3' ' B' ' 140' ' ' PRO . 41.8 pt -118.33 153.15 51.59 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.787 -0.206 . . . . 10.0 110.563 -179.13 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 140' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' B' ' 139' ' ' ILE . 4.0 Cg_exo -77.0 149.57 28.94 Favored 'Trans proline' 0 C--O 1.236 0.395 0 C-N-CA 122.825 2.35 . . . . 10.0 112.227 179.546 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 141' ' ' PHE . . . . . 0.455 ' HD1' ' HB3' ' B' ' 113' ' ' LEU . 88.1 t80 -120.7 130.41 54.07 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.091 -0.504 . . . . 10.0 109.912 179.082 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 28.3 mt -127.77 132.05 69.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 120.816 0.341 . . . . 10.0 111.454 -179.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -83.54 127.62 33.87 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 108.804 -0.813 . . . . 10.0 108.804 178.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 62.0 p -139.03 176.82 8.37 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.626 0.727 . . . . 10.0 112.396 -178.077 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.95 114.22 1.08 Allowed 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.228 -1.027 . . . . 10.0 108.228 178.024 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -62.65 -35.19 78.84 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.184 0.439 . . . . 10.0 112.184 -178.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -59.41 -45.73 90.7 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.208 0.447 . . . . 10.0 112.208 -179.036 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.73 -5.06 46.24 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.618 0.247 . . . . 10.0 111.034 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 149' ' ' ARG . . . . . 0.528 ' HG3' ' HB3' ' B' ' 22' ' ' GLN . 29.1 ttt-85 61.65 31.66 18.62 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.784 -179.385 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -84.28 120.72 26.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.563 -0.744 . . . . 10.0 111.619 -179.036 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 74.17 10.58 81.55 Favored Glycine 0 CA--C 1.52 0.383 0 N-CA-C 114.545 0.578 . . . . 10.0 114.545 178.143 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 152' ' ' VAL . . . . . 0.411 ' O ' ' HD2' ' B' ' 156' ' ' PHE . 95.5 t -62.02 -49.16 85.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 117.261 0.531 . . . . 10.0 110.99 -179.536 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -67.02 -39.97 87.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.259 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -58.32 -43.91 88.42 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.687 -0.688 . . . . 10.0 111.55 -179.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.43 -44.58 95.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.002 -0.544 . . . . 10.0 111.365 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 156' ' ' PHE . . . . . 0.411 ' HD2' ' O ' ' B' ' 152' ' ' VAL . 57.5 m-85 -72.15 -40.47 68.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.33 -0.395 . . . . 10.0 111.831 -179.66 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 16.3 m-30 -61.25 -47.4 86.21 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.828 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 89.2 m -61.52 -35.24 77.16 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.086 -0.506 . . . . 10.0 111.452 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 159' ' ' LEU . . . . . 0.595 HD23 HD22 ' B' ' 6' ' ' LEU . 17.5 tp -64.27 -35.89 82.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.239 -0.437 . . . . 10.0 110.473 179.469 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 92.0 t -67.25 -40.15 84.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.321 -0.4 . . . . 10.0 111.059 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.24 -34.89 75.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.413 -0.358 . . . . 10.0 111.181 -179.723 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -66.91 -30.83 71.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 10.0 111.325 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 67.0 mt -73.03 -43.53 58.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.296 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 164' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' B' ' 164' ' ' ARG . 39.8 mtt85 -63.3 -39.13 93.71 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 109.646 -0.502 . . . . 10.0 109.646 178.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 5.5 ttmt . . . . . 0 C--N 1.326 -0.448 0 CA-C-N 115.322 -0.854 . . . . 10.0 109.067 178.562 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 CA--C 1.532 0.268 0 CA-C-O 120.698 0.285 . . . . 10.0 111.285 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' C' C ' 2' ' ' THR . . . . . 0.479 ' HB ' ' CE2' ' C' ' 4' ' ' TYR . 0.2 OUTLIER -83.65 121.14 26.86 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.558 -0.292 . . . . 10.0 110.412 179.743 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -82.79 134.51 35.11 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.111 0.481 . . . . 10.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 4' ' ' TYR . . . . . 0.505 ' CD2' ' HB3' ' C' ' 51' ' ' CYS . 92.5 m-85 -129.03 109.87 11.58 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.654 -0.703 . . . . 10.0 109.533 179.304 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 5' ' ' LYS . . . . . 0.63 ' HB2' ' HG3' ' C' ' 76' ' ' GLU . 18.6 mtmm -86.27 115.09 23.59 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.225 -0.443 . . . . 10.0 111.581 -179.568 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . 0.489 HD13 HD23 ' C' ' 159' ' ' LEU . 68.2 mt -118.1 138.03 52.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.419 -0.355 . . . . 10.0 111.038 -179.441 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 61.9 t -117.97 131.98 69.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 116.22 -0.445 . . . . 10.0 110.049 179.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.605 HG12 ' HD2' ' C' ' 16' ' ' LYS . 3.0 t -93.21 110.89 23.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.065 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 11.2 m -109.99 144.51 18.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.125 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 152.81 160.0 9.38 Favored Glycine 0 N--CA 1.447 -0.604 0 N-CA-C 111.299 -0.72 . . . . 10.0 111.299 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.81 172.55 3.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.076 0.465 . . . . 10.0 111.724 -179.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -83.1 147.63 27.99 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.01 0.433 . . . . 10.0 110.659 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.46 -4.02 86.3 Favored Glycine 0 N--CA 1.45 -0.376 0 CA-C-N 115.909 -0.587 . . . . 10.0 113.543 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 12.6 m -80.51 -14.77 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 117.237 0.519 . . . . 10.0 112.28 -179.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.42 43.93 4.78 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.643 -0.789 . . . . 10.0 113.973 179.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . 0.605 ' HD2' HG12 ' C' ' 8' ' ' VAL . 31.4 mtmm -71.71 -53.03 14.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.855 0.359 . . . . 10.0 110.349 179.231 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 17.4 m -65.9 -29.96 70.48 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.55 -0.75 . . . . 10.0 111.604 -179.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.93 -42.92 72.85 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.829 0.347 . . . . 10.0 110.308 178.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 19' ' ' LEU . . . . . 0.774 HD23 ' HB2' ' C' ' 146' ' ' ALA . 32.3 mt -71.78 -39.18 70.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.541 179.689 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.72 -48.03 76.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.437 -0.347 . . . . 10.0 111.179 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 99.3 mt -64.54 -36.13 76.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.702 -179.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 22' ' ' GLN . . . . . 0.53 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 1.9 mm-40 -67.8 -20.47 65.19 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.066 0.46 . . . . 10.0 110.989 179.143 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 10.0 tp -91.79 -40.64 11.11 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.279 179.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 45.9 mm -77.8 -66.8 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.84 -0.618 . . . . 10.0 112.612 -179.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -93.43 -4.92 50.47 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.451 0.537 . . . . 10.0 112.451 -177.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 26' ' ' ASN . . . . . 0.53 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 42.6 m-80 58.24 52.73 7.13 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 113.832 1.049 . . . . 10.0 113.832 178.591 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 14.4 p80 -155.35 151.23 27.68 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 120.592 0.234 . . . . 10.0 110.966 178.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -96.48 131.23 43.28 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.149 -0.478 . . . . 10.0 111.272 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 9.4 m -99.11 129.18 49.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.281 179.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -99.44 -3.88 32.69 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.345 0.593 . . . . 10.0 110.198 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -98.05 122.88 41.72 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.529 -0.76 . . . . 10.0 110.279 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -63.01 122.02 15.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.016 -0.538 . . . . 10.0 111.936 -178.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -120.91 109.85 35.43 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.619 -0.719 . . . . 10.0 110.257 179.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -83.04 65.7 7.92 Favored 'Trans proline' 0 N--CA 1.456 -0.681 0 C-N-CA 123.157 2.571 . . . . 10.0 112.083 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.93 122.33 19.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.994 0.426 . . . . 10.0 110.909 179.356 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . 0.772 ' HA ' ' HB2' ' C' ' 59' ' ' ALA . 31.6 mm -77.38 -41.92 30.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.791 -0.641 . . . . 10.0 110.14 179.606 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -163.22 102.08 0.96 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.355 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -127.38 120.13 27.79 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.205 -0.452 . . . . 10.0 110.678 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.72 148.3 22.24 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.339 -0.391 . . . . 10.0 111.389 -179.405 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -136.61 145.47 44.92 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.28 -0.418 . . . . 10.0 110.278 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . 0.426 ' HA ' ' O ' ' C' ' 53' ' ' LEU . 1.5 mpp_? -122.72 144.91 48.85 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 116.791 -0.186 . . . . 10.0 110.671 179.588 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 49.6 tttp -159.52 153.77 23.71 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.199 179.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -126.9 120.21 28.63 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.881 -0.415 . . . . 10.0 109.881 179.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 4.3 m -139.28 163.06 26.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 110.366 -0.235 . . . . 10.0 110.366 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 24.5 t -97.77 96.03 4.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.204 0.526 . . . . 10.0 109.785 179.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 46' ' ' ILE . . . . . 0.651 HD13 HG21 ' C' ' 160' ' ' VAL . 56.7 mt -94.5 115.31 33.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.649 -0.705 . . . . 10.0 111.31 -178.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 47' ' ' ASP . . . . . 0.997 ' HA ' ' HB2' ' B' ' 128' ' ' LYS . 28.1 m-20 63.13 16.55 9.45 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.072 -0.967 . . . . 10.0 112.277 179.582 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 106.99 -10.79 40.68 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.269 -0.967 . . . . 10.0 112.411 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -103.22 131.74 50.03 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 110.133 -0.321 . . . . 10.0 110.133 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.73 109.91 12.14 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.209 -1.034 . . . . 10.0 108.209 178.185 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 51' ' ' CYS . . . . . 0.505 ' HB3' ' CD2' ' C' ' 4' ' ' TYR . 2.7 m -107.93 150.91 26.49 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.15 0.5 . . . . 10.0 112.339 -178.03 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 32.1 tp -107.29 115.21 29.76 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 108.113 -1.069 . . . . 10.0 108.113 178.04 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . 0.426 ' O ' ' HA ' ' C' ' 41' ' ' ARG . 73.3 mt -89.89 127.27 35.97 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 113.035 0.754 . . . . 10.0 113.035 -177.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -121.64 79.5 1.56 Allowed 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 106.632 -1.618 . . . . 10.0 106.632 177.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 4.4 mt -87.34 143.42 11.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.365 -0.834 . . . . 10.0 111.778 -177.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 36.6 tp -127.44 110.57 12.9 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.872 -0.604 . . . . 10.0 110.845 179.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -89.61 105.54 17.87 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.4 -0.593 . . . . 10.0 109.4 179.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 1.9 p -103.55 159.56 15.49 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.111 -0.495 . . . . 10.0 111.883 -179.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 59' ' ' ALA . . . . . 0.772 ' HB2' ' HA ' ' C' ' 36' ' ' ILE . . . -74.25 162.06 29.3 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.378 -179.468 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -127.41 33.47 3.29 Favored Glycine 0 N--CA 1.445 -0.704 0 N-CA-C 111.482 -0.647 . . . . 10.0 111.482 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -90.74 12.2 19.91 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.47 0.176 . . . . 10.0 111.222 -179.581 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 59.66 -164.11 0.22 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.975 -0.557 . . . . 10.0 111.434 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 70.3 -2.68 2.06 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 112.484 0.55 . . . . 10.0 112.484 179.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 64' ' ' TYR . . . . . 0.845 ' HB3' ' HB3' ' C' ' 67' ' ' MET . 19.9 m-85 -97.2 57.94 1.49 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.725 0.298 . . . . 10.0 110.793 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.6 -40.08 95.77 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.694 -0.684 . . . . 10.0 111.597 -179.218 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.02 -38.48 14.38 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.429 -0.351 . . . . 10.0 111.098 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 67' ' ' MET . . . . . 0.845 ' HB3' ' HB3' ' C' ' 64' ' ' TYR . 24.8 ttt -59.9 -40.94 90.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.368 -179.733 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 68' ' ' ARG . . . . . 0.481 ' HB2' ' O ' ' C' ' 64' ' ' TYR . 1.0 OUTLIER -59.44 -46.48 88.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.892 179.85 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -60.03 -30.16 68.99 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 115.765 -0.652 . . . . 10.0 112.036 -179.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -64.27 -60.02 3.7 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.478 0.547 . . . . 10.0 112.478 -179.192 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 71' ' ' TYR . . . . . 0.437 ' CZ ' ' HA ' ' C' ' 68' ' ' ARG . 24.5 p90 -77.42 -20.87 53.91 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 113.468 0.914 . . . . 10.0 113.468 -178.147 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 72' ' ' MET . . . . . 0.501 ' HA ' ' HZ ' ' C' ' 78' ' ' PHE . 33.0 mtt -66.39 -25.43 66.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.986 0.422 . . . . 10.0 111.361 179.505 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 73' ' ' ARG . . . . . 0.604 ' HG3' HG12 ' C' ' 103' ' ' VAL . 10.2 mtm180 -82.28 -29.25 31.29 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.813 179.05 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.81 -36.13 20.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.038 -0.528 . . . . 10.0 111.164 -179.304 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.87 130.55 36.36 Favored Glycine 0 N--CA 1.449 -0.458 0 CA-C-N 116.004 -0.544 . . . . 10.0 113.038 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . 0.63 ' HG3' ' HB2' ' C' ' 5' ' ' LYS . 29.6 mt-10 -92.29 -42.46 9.82 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.186 0.517 . . . . 10.0 110.029 179.722 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -120.69 138.53 12.84 Favored Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 110.378 -1.089 . . . . 10.0 110.378 178.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 78' ' ' PHE . . . . . 0.555 ' HB2' ' HG2' ' C' ' 111' ' ' MET . 80.9 m-85 -115.53 131.6 56.88 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.143 0.497 . . . . 10.0 111.865 -178.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 12.0 tp -103.49 104.08 14.11 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.606 -0.725 . . . . 10.0 109.975 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 3.8 m -84.19 99.36 10.48 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.791 -0.448 . . . . 10.0 109.791 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 40.1 t -105.78 131.08 56.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 10.0 111.51 -179.069 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 82' ' ' PHE . . . . . 0.508 ' HB3' HD11 ' C' ' 93' ' ' ILE . 17.4 p90 -144.38 157.61 44.17 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.961 -0.563 . . . . 10.0 109.948 179.293 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -93.9 133.09 37.68 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.28 -0.418 . . . . 10.0 110.662 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 84' ' ' ILE . . . . . 0.557 HD12 ' HB3' ' C' ' 123' ' ' ARG . 20.7 pt -68.07 -12.15 15.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.36 -0.382 . . . . 10.0 111.662 -179.621 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 40.5 p30 -104.97 13.78 30.46 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.149 0.5 . . . . 10.0 110.492 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -134.92 95.81 3.4 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.136 179.445 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 87' ' ' THR . . . . . 0.409 ' O ' ' HG3' ' C' ' 91' ' ' GLU . 6.5 m -62.07 -28.15 69.4 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.964 -0.562 . . . . 10.0 111.044 -179.772 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 23.4 tptp -55.93 -54.08 49.09 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.55 179.224 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 89' ' ' SER . . . . . 0.402 ' HA ' ' HB2' ' C' ' 92' ' ' ASP . 2.7 p -65.6 -23.0 66.72 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 116.311 -0.404 . . . . 10.0 111.671 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -68.27 -33.63 74.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.067 0.461 . . . . 10.0 110.036 179.238 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 91' ' ' GLU . . . . . 0.409 ' HG3' ' O ' ' C' ' 87' ' ' THR . 17.7 mt-10 -85.88 -21.07 28.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.178 179.45 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 92' ' ' ASP . . . . . 0.402 ' HB2' ' HA ' ' C' ' 89' ' ' SER . 2.1 m-20 -67.54 -29.19 68.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.536 -0.756 . . . . 10.0 110.763 179.334 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 93' ' ' ILE . . . . . 0.508 HD11 ' HB3' ' C' ' 82' ' ' PHE . 50.0 mm -52.31 -45.82 44.88 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.157 0 CA-C-N 115.895 -0.593 . . . . 10.0 111.123 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 42.9 t60 -59.09 -50.71 73.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 10.0 110.769 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 74.8 m-70 -56.0 -48.12 76.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.931 -0.577 . . . . 10.0 111.698 -179.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -65.06 -49.5 69.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.436 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 97' ' ' ARG . . . . . 0.464 ' O ' ' HG3' ' C' ' 101' ' ' LYS . 4.4 tmt_? -57.25 -48.31 79.16 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.068 -0.515 . . . . 10.0 111.951 -179.033 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . 0.505 ' HA ' ' HE2' ' C' ' 101' ' ' LYS . 12.8 mm-40 -66.46 -31.5 72.29 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.198 -0.455 . . . . 10.0 111.719 -179.346 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 99' ' ' GLN . . . . . 0.434 ' O ' HG23 ' C' ' 103' ' ' VAL . 46.9 tt0 -71.73 -42.19 67.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.682 0.277 . . . . 10.0 110.644 179.538 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 100' ' ' ILE . . . . . 0.465 HG21 HG11 ' C' ' 109' ' ' VAL . 75.6 mt -57.26 -43.23 81.62 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.619 179.679 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 101' ' ' LYS . . . . . 0.505 ' HE2' ' HA ' ' C' ' 98' ' ' GLU . 29.4 mtmt -59.54 -35.24 73.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.888 -0.596 . . . . 10.0 111.123 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 6.8 tmm_? -73.64 -45.28 53.69 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.037 -179.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 103' ' ' VAL . . . . . 0.604 HG12 ' HG3' ' C' ' 73' ' ' ARG . 36.9 t -64.47 -44.48 96.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.019 -0.537 . . . . 10.0 112.101 -179.272 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 104' ' ' LYS . . . . . 0.461 ' HD2' ' HE2' ' C' ' 78' ' ' PHE . 30.7 mtpp -88.36 -5.17 58.46 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.412 -179.415 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 30.2 t70 52.35 61.57 3.13 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.031 -0.531 . . . . 10.0 111.431 -179.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 43.5 t -169.31 131.82 1.22 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.736 -0.666 . . . . 10.0 110.65 -179.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.07 -22.81 58.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.431 0.634 . . . . 10.0 109.422 178.661 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -98.26 109.01 21.84 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.641 -0.708 . . . . 10.0 110.231 179.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 109' ' ' VAL . . . . . 0.465 HG11 HG21 ' C' ' 100' ' ' ILE . 94.0 t -136.44 127.08 16.47 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 115.781 -0.645 . . . . 10.0 109.665 -179.753 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -60.6 103.99 0.24 Allowed 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.661 2.241 . . . . 10.0 112.057 179.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 111' ' ' MET . . . . . 0.555 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 55.0 mtm -138.62 150.31 46.13 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.266 -179.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 86.1 t -130.75 133.97 62.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.013 -0.736 . . . . 10.0 109.013 178.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 12.7 tp -84.45 108.92 17.51 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.53 -0.545 . . . . 10.0 109.53 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 59.7 t -104.48 116.33 48.07 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.479 -178.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -98.24 119.03 6.31 Favored Glycine 0 N--CA 1.443 -0.84 0 N-CA-C 110.128 -1.189 . . . . 10.0 110.128 178.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 67.3 t30 -105.15 164.87 11.49 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.796 0.298 . . . . 10.0 110.996 -179.096 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 117' ' ' LYS . . . . . 0.578 ' HB3' HD12 ' C' ' 120' ' ' LEU . 89.4 mttt 67.79 28.38 7.15 Favored 'General case' 0 CA--C 1.522 -0.128 0 CA-C-N 115.36 -0.836 . . . . 10.0 112.004 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 118' ' ' CYS . . . . . 0.504 ' HA ' ' CD1' ' C' ' 84' ' ' ILE . 94.2 m -72.03 -16.34 62.05 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.81 0.67 . . . . 10.0 112.81 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -86.63 -3.8 59.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.76 0.314 . . . . 10.0 111.456 -179.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 120' ' ' LEU . . . . . 0.578 HD12 ' HB3' ' C' ' 117' ' ' LYS . 87.0 mt -88.22 133.2 37.36 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.243 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -63.8 144.94 90.05 Favored 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 122.361 2.041 . . . . 10.0 111.855 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 20.7 m 72.12 110.24 0.06 Allowed 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.839 -0.618 . . . . 10.0 111.964 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 123' ' ' ARG . . . . . 0.557 ' HB3' HD12 ' C' ' 84' ' ' ILE . 2.2 ptp180 -121.38 130.36 53.56 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.857 -0.61 . . . . 10.0 110.693 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -80.12 -34.93 37.41 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.242 0.544 . . . . 10.0 110.189 179.502 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 60.0 t -93.61 125.87 46.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.683 -0.689 . . . . 10.0 110.45 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -76.72 139.57 40.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.903 -0.59 . . . . 10.0 110.193 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 3.6 m -59.43 -45.51 91.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.442 -0.345 . . . . 10.0 111.014 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 128' ' ' LYS . . . . . 0.689 ' HD2' ' HA ' ' B' ' 46' ' ' ILE . 33.5 mtmm -65.04 -32.58 74.37 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.427 -179.145 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -65.74 -45.11 83.83 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.0 -0.545 . . . . 10.0 109.851 179.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -70.11 -35.07 73.87 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.789 -0.641 . . . . 10.0 110.385 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -65.34 -48.19 73.88 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.824 -0.625 . . . . 10.0 110.679 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -65.06 -36.48 84.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.432 . . . . 10.0 110.874 179.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 22.5 tp -65.44 -43.18 91.26 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 109.647 -0.501 . . . . 10.0 109.647 178.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.17 -34.77 78.83 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.376 -0.602 . . . . 10.0 109.376 178.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 7.0 tmm_? -62.47 -37.23 85.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.642 -0.708 . . . . 10.0 109.436 178.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 5.8 m -66.39 -40.13 89.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.781 -0.645 . . . . 10.0 111.022 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 137' ' ' TYR . . . . . 0.49 ' HB2' HG12 ' C' ' 139' ' ' ILE . 22.1 m-85 -76.9 -26.94 54.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.801 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 88.06 24.24 35.43 Favored Glycine 0 N--CA 1.45 -0.395 0 N-CA-C 111.21 -0.756 . . . . 10.0 111.21 -179.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 139' ' ' ILE . . . . . 0.49 HG12 ' HB2' ' C' ' 137' ' ' TYR . 47.0 pt -113.82 152.89 46.0 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 115.482 -0.359 . . . . 10.0 110.881 -179.534 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_exo -74.58 148.83 37.92 Favored 'Trans proline' 0 C--O 1.236 0.377 0 C-N-CA 122.91 2.407 . . . . 10.0 111.961 179.383 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -128.99 131.29 47.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.869 -0.605 . . . . 10.0 110.687 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 6.0 mt -139.52 127.62 26.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.169 -0.468 . . . . 10.0 111.098 179.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -76.83 132.18 39.05 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 108.818 -0.808 . . . . 10.0 108.818 177.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 11.0 p -137.67 178.5 7.06 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 113.76 1.022 . . . . 10.0 113.76 -178.046 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 11.0 t -167.42 118.4 0.87 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.084 -0.962 . . . . 10.0 109.017 179.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 146' ' ' ALA . . . . . 0.774 ' HB2' HD23 ' C' ' 19' ' ' LEU . . . -75.15 -31.57 61.07 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.335 0.494 . . . . 10.0 112.335 -178.657 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -65.98 -28.8 69.17 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.885 0.374 . . . . 10.0 111.647 -179.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 42.2 p -107.32 -3.89 19.19 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.793 0.33 . . . . 10.0 110.685 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 149' ' ' ARG . . . . . 0.411 ' HG3' HG21 ' C' ' 152' ' ' VAL . 0.2 OUTLIER 56.34 57.3 5.04 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 122.016 0.912 . . . . 10.0 110.953 -178.801 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -107.39 110.69 22.74 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.098 -0.955 . . . . 10.0 110.941 -179.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 64.96 29.23 74.83 Favored Glycine 0 CA--C 1.52 0.389 0 N-CA-C 114.528 0.571 . . . . 10.0 114.528 178.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 152' ' ' VAL . . . . . 0.411 HG21 ' HG3' ' C' ' 149' ' ' ARG . 29.6 t -66.36 -56.29 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.078 0.466 . . . . 10.0 109.947 179.734 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -67.07 -32.13 73.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.666 -0.697 . . . . 10.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -61.77 -46.24 90.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.057 -0.519 . . . . 10.0 111.913 -179.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -56.4 -44.91 80.74 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.92 0.39 . . . . 10.0 111.022 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 156' ' ' PHE . . . . . 0.518 ' O ' HG23 ' C' ' 160' ' ' VAL . 63.2 m-85 -69.08 -41.91 76.9 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.33 179.645 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -58.74 -43.07 90.12 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.191 0.519 . . . . 10.0 110.109 179.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 86.7 m -63.44 -39.54 94.76 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.615 -0.721 . . . . 10.0 111.603 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 159' ' ' LEU . . . . . 0.489 HD23 HD13 ' C' ' 6' ' ' LEU . 13.5 tp -63.05 -36.95 85.27 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-O 120.961 0.41 . . . . 10.0 111.244 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 160' ' ' VAL . . . . . 0.651 HG21 HD13 ' C' ' 46' ' ' ILE . 22.7 t -66.9 -36.2 76.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 N-CA-C 109.695 -0.483 . . . . 10.0 109.695 178.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -63.2 -38.77 92.49 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 115.717 -0.674 . . . . 10.0 110.253 179.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -66.15 -38.68 88.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.027 -0.533 . . . . 10.0 109.996 179.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 82.5 mt -64.13 -48.07 87.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.162 178.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 44.2 mtt85 -65.78 -35.25 80.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.241 0.543 . . . . 10.0 109.621 179.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -62.69 -47.91 81.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.384 -0.826 . . . . 10.0 110.189 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 46.0 t-80 -59.17 -44.73 92.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 10.0 111.166 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 96.2 mttt . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.485 -0.325 . . . . 10.0 111.356 179.867 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 5.1 tmtm? . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.7 0.286 . . . . 10.0 111.356 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 203' ' ' LEU . . . . . 0.428 ' O ' ' HB2' ' A' ' 207' ' ' TRP . 36.7 mt -62.59 -36.09 81.59 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.201 0.445 . . . . 10.0 112.201 -179.352 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 71.5 mt -74.99 -52.53 10.89 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.786 0.327 . . . . 10.0 110.968 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -57.82 -44.22 86.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.73 -0.668 . . . . 10.0 112.118 -179.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -74.38 -18.18 60.71 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.071 0.463 . . . . 10.0 111.76 -179.63 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 207' ' ' TRP . . . . . 0.428 ' HB2' ' O ' ' A' ' 203' ' ' LEU . 35.6 t90 -77.67 -28.94 51.32 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.068 0.461 . . . . 10.0 110.146 179.637 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -63.61 -36.71 84.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.682 179.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.67 -39.4 94.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.342 179.607 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 40.1 t -68.7 -43.3 83.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 109.53 -0.545 . . . . 10.0 109.53 179.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 23.0 m -61.94 -44.86 95.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.364 -0.835 . . . . 10.0 111.51 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 4.2 p -64.25 -35.51 81.06 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.87 0.367 . . . . 10.0 110.51 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 30.7 m -64.32 -47.28 79.99 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 108.962 -0.755 . . . . 10.0 108.962 178.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -60.85 -38.77 86.68 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.152 -0.476 . . . . 10.0 111.201 179.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 215' ' ' SER . . . . . 0.479 ' O ' ' HG3' ' A' ' 219' ' ' GLU . 60.5 m -62.35 -49.42 75.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.787 0.327 . . . . 10.0 110.412 178.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 41.9 mttt -65.52 -35.25 80.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.893 0.378 . . . . 10.0 110.33 179.114 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 217' ' ' LEU . . . . . 0.538 ' O ' ' HG ' ' A' ' 221' ' ' LEU . 58.9 mt -63.11 -40.92 99.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 10.0 109.916 178.534 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 78.3 mtt180 -67.89 -34.78 77.31 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.521 -0.309 . . . . 10.0 110.506 179.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 219' ' ' GLU . . . . . 0.479 ' HG3' ' O ' ' A' ' 215' ' ' SER . 55.3 mt-10 -66.52 -31.44 72.17 Favored 'General case' 0 C--O 1.225 -0.219 0 N-CA-C 108.969 -0.752 . . . . 10.0 108.969 178.589 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -82.28 -31.1 30.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.354 -0.839 . . . . 10.0 109.737 178.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 221' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 217' ' ' LEU . 38.9 mt -59.29 -33.73 71.44 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.426 179.607 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -53.87 -67.03 2.36 Favored Glycine 0 C--N 1.335 0.493 0 N-CA-C 110.717 -0.953 . . . . 10.0 110.717 177.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -56.44 -42.12 68.96 Favored 'Trans proline' 0 N--CA 1.464 -0.252 0 C-N-CA 122.475 2.117 . . . . 10.0 110.87 177.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 15.5 t -53.74 -51.42 44.04 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.145 0 CA-C-N 116.552 -0.295 . . . . 10.0 111.152 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 17.7 p -66.5 -37.4 84.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.737 0.303 . . . . 10.0 110.739 179.183 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -63.54 -52.88 59.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.413 -0.358 . . . . 10.0 110.75 179.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -60.53 -44.22 96.3 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.339 0.59 . . . . 10.0 109.9 179.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 228' ' ' PHE . . . . . 0.582 ' O ' ' HG ' ' A' ' 232' ' ' LEU . 3.6 t80 -63.17 -48.07 79.95 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.567 -0.742 . . . . 10.0 110.77 179.571 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -62.48 -39.35 93.17 Favored 'General case' 0 C--N 1.331 -0.219 0 O-C-N 123.435 0.46 . . . . 10.0 110.284 179.61 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -61.07 -45.65 93.9 Favored 'General case' 0 C--O 1.237 0.417 0 N-CA-C 109.141 -0.688 . . . . 10.0 109.141 178.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -64.26 -40.64 96.42 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.463 -0.79 . . . . 10.0 109.612 178.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 232' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' ' 228' ' ' PHE . 95.8 mt -61.78 -35.94 79.61 Favored 'General case' 0 N--CA 1.461 0.086 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.152 178.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 233' ' ' GLU . . . . . 0.519 ' O ' ' HB2' ' A' ' 237' ' ' GLU . 9.9 mm-40 -63.55 -37.89 89.04 Favored 'General case' 0 CA--C 1.52 -0.19 0 N-CA-C 109.765 -0.458 . . . . 10.0 109.765 178.397 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 68.6 mttt -73.49 -37.89 65.58 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.529 -0.545 . . . . 10.0 109.529 178.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.62 -46.83 83.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.521 -0.763 . . . . 10.0 109.871 179.544 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 21.4 p -72.18 -28.41 63.2 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.888 -0.596 . . . . 10.0 110.343 179.156 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 237' ' ' GLU . . . . . 0.519 ' HB2' ' O ' ' A' ' 233' ' ' GLU . 0.5 OUTLIER -62.86 -45.63 91.67 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 108.506 -0.924 . . . . 10.0 108.506 178.538 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -63.01 -41.77 99.82 Favored Glycine 0 N--CA 1.44 -1.05 0 N-CA-C 110.287 -1.125 . . . . 10.0 110.287 178.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 87.4 mt -64.52 -38.12 89.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.66 0.267 . . . . 10.0 110.479 179.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 18.8 mtm180 -65.69 -38.42 89.2 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 110.097 -0.335 . . . . 10.0 110.097 178.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -69.23 -39.95 78.22 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.227 -0.657 . . . . 10.0 109.227 178.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 242' ' ' GLU . . . . . 0.431 ' HA ' ' HD2' ' A' ' 245' ' ' LYS . 4.6 mt-10 -73.62 -18.76 61.01 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.685 -0.689 . . . . 10.0 111.001 179.562 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 243' ' ' MET . . . . . 0.555 ' HG3' HD12 ' A' ' 247' ' ' LEU . 42.6 ttm -62.59 -30.3 71.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.374 0.607 . . . . 10.0 109.476 178.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.41 4.55 20.52 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.513 -0.767 . . . . 10.0 110.335 179.121 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 245' ' ' LYS . . . . . 0.431 ' HD2' ' HA ' ' A' ' 242' ' ' GLU . 41.4 mttm -127.15 -63.87 1.03 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.343 -0.39 . . . . 10.0 110.179 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 246' ' ' ASP . . . . . 0.57 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 0.6 OUTLIER -51.47 -50.08 60.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.465 -0.789 . . . . 10.0 111.667 -179.377 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 247' ' ' LEU . . . . . 0.555 HD12 ' HG3' ' A' ' 243' ' ' MET . 94.6 mt -87.07 -37.0 17.83 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.428 0.529 . . . . 10.0 112.428 -179.495 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -65.88 -51.53 57.98 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.795 0.331 . . . . 10.0 111.472 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -68.64 -33.93 74.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.525 -0.307 . . . . 10.0 111.215 -179.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 250' ' ' VAL . . . . . 0.703 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 1.1 p -64.25 -33.81 64.98 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.169 0 C-N-CA 120.394 -0.522 . . . . 10.0 110.192 179.273 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 251' ' ' LYS . . . . . 0.47 ' O ' HG12 ' A' ' 254' ' ' VAL . 84.2 mttt -82.3 -40.75 21.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.556 179.372 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -62.04 -37.55 85.35 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.761 -0.459 . . . . 10.0 109.761 179.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -89.08 -18.56 27.02 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.627 -0.715 . . . . 10.0 111.732 179.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 254' ' ' VAL . . . . . 0.703 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.4 OUTLIER -64.83 -27.54 42.7 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 C-N-CA 120.753 -0.379 . . . . 10.0 110.74 -179.594 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 255' ' ' GLN . . . . . 0.47 ' HB2' ' CD ' ' A' ' 256' ' ' PRO . 68.7 mt-30 -65.67 -62.02 5.0 Favored Pre-proline 0 CA--C 1.535 0.368 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.625 178.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 256' ' ' PRO . . . . . 0.47 ' CD ' ' HB2' ' A' ' 255' ' ' GLN . 18.8 Cg_endo -61.77 -34.71 82.4 Favored 'Trans proline' 0 C--N 1.356 0.958 0 C-N-CA 121.69 1.593 . . . . 10.0 111.528 178.458 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 6.2 m-30 -62.23 -51.27 68.44 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.928 0.394 . . . . 10.0 110.474 179.379 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 22.9 mt -69.3 -39.46 78.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.953 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 259' ' ' ASP . . . . . 0.561 ' O ' ' HB2' ' A' ' 263' ' ' LYS . 32.1 t70 -60.77 -45.42 94.4 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.346 -0.388 . . . . 10.0 110.528 179.615 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -66.85 -50.64 61.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.223 -0.444 . . . . 10.0 111.211 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -63.89 -48.04 78.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.291 -0.413 . . . . 10.0 112.104 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -64.0 -30.59 71.65 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.6 0.238 . . . . 10.0 110.444 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 263' ' ' LYS . . . . . 0.561 ' HB2' ' O ' ' A' ' 259' ' ' ASP . 23.1 ttmt -63.18 -47.72 81.41 Favored 'General case' 0 CA--C 1.52 -0.195 0 N-CA-C 109.048 -0.723 . . . . 10.0 109.048 178.447 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 264' ' ' LYS . . . . . 0.593 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 70.5 mttt -69.51 -39.17 77.74 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.182 -0.917 . . . . 10.0 110.395 178.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 20.7 m95 -64.17 -36.02 82.68 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.484 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -63.74 -43.65 95.84 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 108.741 -0.837 . . . . 10.0 108.741 177.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 267' ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' A' ' 263' ' ' LYS . 39.3 mt-10 -64.16 -39.35 93.82 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 109.079 -0.712 . . . . 10.0 109.079 178.317 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 268' ' ' GLU . . . . . 0.522 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 11.6 mt-10 -58.64 -45.45 89.24 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.936 -0.574 . . . . 10.0 109.499 178.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 92.3 mmm -68.44 -43.14 77.72 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.513 -0.767 . . . . 10.0 110.613 179.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -60.59 -53.52 56.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.297 -0.41 . . . . 10.0 110.155 179.183 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 32.7 mt -59.33 -38.92 81.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.339 -0.391 . . . . 10.0 110.417 179.384 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 272' ' ' TYR . . . . . 0.425 ' O ' HG23 ' A' ' 276' ' ' VAL . 0.1 OUTLIER -61.2 -50.65 72.28 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.128 178.894 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -66.58 -31.09 71.57 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.326 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 -67.79 -24.34 65.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.171 0.51 . . . . 10.0 109.954 178.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 275' ' ' LYS . . . . . 0.563 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 10.2 mptt -96.31 -38.8 9.94 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.564 -0.743 . . . . 10.0 110.322 178.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 276' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 272' ' ' TYR . 13.9 t -48.71 -49.21 14.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 N-CA-C 112.685 0.624 . . . . 10.0 112.685 -179.262 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 69.0 mt-10 -58.52 -60.71 9.45 Favored Pre-proline 0 CA--C 1.537 0.468 0 N-CA-C 113.427 0.899 . . . . 10.0 113.427 -179.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -63.37 -39.91 34.64 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 121.893 1.729 . . . . 10.0 112.466 179.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 279' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 275' ' ' LYS . 37.7 mt -65.4 -41.22 93.86 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 121.209 -0.196 . . . . 10.0 110.961 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 -64.85 -32.16 73.72 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.35 -0.611 . . . . 10.0 109.35 178.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -65.45 -44.07 88.41 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.298 -0.63 . . . . 10.0 109.298 178.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -63.18 -46.21 88.17 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 115.59 -0.732 . . . . 10.0 109.235 178.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 283' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 279' ' ' LEU . 81.1 mt -66.02 -31.57 72.53 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.665 179.482 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -67.07 -48.66 67.56 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 109.2 -0.667 . . . . 10.0 109.2 179.117 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -67.12 -40.04 86.75 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.406 -0.59 . . . . 10.0 109.406 178.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -61.33 -46.05 95.22 Favored Glycine 0 N--CA 1.443 -0.887 0 N-CA-C 110.577 -1.009 . . . . 10.0 110.577 178.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -64.04 -38.76 92.23 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.845 -0.428 . . . . 10.0 109.845 178.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -58.26 -55.54 33.62 Favored 'General case' 0 C--O 1.223 -0.327 0 N-CA-C 109.447 -0.575 . . . . 10.0 109.447 178.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -60.95 -48.13 83.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.774 -0.648 . . . . 10.0 111.583 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 50.5 mttp -59.48 -42.39 91.99 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.646 0.26 . . . . 10.0 111.622 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 81.0 mt -74.99 -36.4 62.0 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.447 -0.342 . . . . 10.0 110.71 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 292' ' ' HIS . . . . . 0.572 ' O ' ' HG2' ' A' ' 296' ' ' GLU . 13.3 m170 -62.93 -46.64 86.84 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 109.387 -0.597 . . . . 10.0 109.387 178.718 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.81 -38.5 82.14 Favored 'General case' 0 N--CA 1.456 -0.165 0 O-C-N 123.739 0.649 . . . . 10.0 109.748 178.397 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 19.7 mt -65.44 -46.9 78.06 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 115.912 -0.586 . . . . 10.0 109.933 178.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 295' ' ' GLN . . . . . 0.491 ' HA ' ' HB2' ' A' ' 298' ' ' LEU . 40.6 mt-30 -64.23 -30.63 71.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.162 -0.472 . . . . 10.0 111.244 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 296' ' ' GLU . . . . . 0.572 ' HG2' ' O ' ' A' ' 292' ' ' HIS . 34.9 mm-40 -63.38 -19.41 64.63 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.059 -0.518 . . . . 10.0 110.069 178.36 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . 0.57 ' HB3' HD12 ' A' ' 301' ' ' LEU . 32.8 mmtp -107.08 -38.19 6.09 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.638 -0.71 . . . . 10.0 110.191 178.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 298' ' ' LEU . . . . . 0.491 ' HB2' ' HA ' ' A' ' 295' ' ' GLN . 72.5 mt -55.52 -27.03 46.33 Favored 'General case' 0 N--CA 1.462 0.161 0 C-N-CA 122.537 0.335 . . . . 10.0 111.851 -179.69 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 299' ' ' SER . . . . . 0.474 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 5.0 m -79.31 -64.86 0.32 Allowed Pre-proline 0 CA--C 1.54 0.594 0 N-CA-C 111.887 0.328 . . . . 10.0 111.887 179.344 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 300' ' ' PRO . . . . . 0.474 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 34.2 Cg_endo -63.57 -43.82 16.05 Favored 'Trans proline' 0 C--N 1.355 0.904 0 C-N-CA 122.164 1.909 . . . . 10.0 112.183 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 301' ' ' LEU . . . . . 0.92 ' HB3' ' HE3' ' D' ' 473' ' ' LYS . 80.8 mt -71.99 -27.69 62.92 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.76 -0.459 . . . . 10.0 109.76 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 302' ' ' GLY . . . . . 0.442 ' O ' ' HG3' ' A' ' 306' ' ' ARG . . . -69.68 -52.88 18.34 Favored Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 111.087 -0.805 . . . . 10.0 111.087 179.265 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -61.97 -39.14 91.13 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 109.33 -0.618 . . . . 10.0 109.33 179.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -63.73 -39.18 93.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.52 -0.764 . . . . 10.0 109.781 178.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 8.2 tpt -65.68 -39.19 91.05 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.816 -0.438 . . . . 10.0 109.816 179.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 306' ' ' ARG . . . . . 0.454 ' O ' ' HG3' ' A' ' 310' ' ' ARG . 45.3 mtt180 -68.26 -43.14 78.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.881 -0.599 . . . . 10.0 109.643 179.027 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 307' ' ' ASP . . . . . 0.469 ' O ' ' HB2' ' A' ' 310' ' ' ARG . 21.9 t70 -64.68 -43.25 94.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.801 -0.636 . . . . 10.0 110.417 179.172 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 308' ' ' ARG . . . . . 0.658 ' HG3' HD21 ' D' ' 469' ' ' LEU . 7.6 mmt180 -65.2 -35.09 79.98 Favored 'General case' 0 CA--C 1.517 -0.307 0 N-CA-C 109.423 -0.584 . . . . 10.0 109.423 178.544 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 309' ' ' ALA . . . . . 0.576 ' HA ' ' HB2' ' A' ' 312' ' ' HIS . . . -68.24 -31.82 71.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.743 -0.662 . . . . 10.0 109.447 178.15 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 310' ' ' ARG . . . . . 0.524 ' O ' ' HB2' ' A' ' 314' ' ' ASP . 71.7 mtt180 -60.47 -51.48 69.29 Favored 'General case' 0 C--O 1.224 -0.27 0 N-CA-C 108.792 -0.818 . . . . 10.0 108.792 178.371 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -67.25 -34.25 77.05 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.065 -0.516 . . . . 10.0 109.93 179.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 312' ' ' HIS . . . . . 0.576 ' HB2' ' HA ' ' A' ' 309' ' ' ALA . 0.1 OUTLIER -58.69 -53.09 62.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.408 -0.815 . . . . 10.0 110.07 178.894 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 26.3 t -76.64 -35.25 25.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.72 -0.673 . . . . 10.0 111.852 -179.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 314' ' ' ASP . . . . . 0.524 ' HB2' ' O ' ' A' ' 310' ' ' ARG . 0.4 OUTLIER -61.1 -43.13 99.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.931 0.396 . . . . 10.0 110.002 179.257 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -66.77 -35.53 80.3 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 109.194 -0.669 . . . . 10.0 109.194 178.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 316' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 316' ' ' LEU . 17.2 mt -65.3 -47.11 77.74 Favored 'General case' 0 C--O 1.224 -0.248 0 CA-C-N 115.625 -0.716 . . . . 10.0 109.742 178.492 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 12.2 mtm105 -61.37 -41.6 97.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.126 0.488 . . . . 10.0 110.147 178.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 93.7 m -60.85 -32.64 72.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.628 -0.715 . . . . 10.0 110.6 179.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 12.2 m80 -87.31 -38.12 16.54 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.275 -0.42 . . . . 10.0 111.024 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 72.9 mt -67.14 -34.52 77.75 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.291 0.478 . . . . 10.0 112.291 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 321' ' ' ALA . . . . . 0.432 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -52.64 -59.24 9.2 Favored Pre-proline 0 CA--C 1.537 0.451 0 N-CA-C 112.466 0.543 . . . . 10.0 112.466 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 322' ' ' PRO . . . . . 0.432 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 44.2 Cg_endo -70.73 -36.36 8.34 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 121.495 1.463 . . . . 10.0 111.422 179.016 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 323' ' ' TYR . . . . . 0.533 ' OH ' ' HB2' ' D' ' 454' ' ' PRO . 11.0 m-30 -60.15 -45.37 93.3 Favored 'General case' 0 C--N 1.334 -0.086 0 CA-C-N 116.455 -0.339 . . . . 10.0 111.703 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 23.2 p -65.18 -36.01 82.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.785 0.326 . . . . 10.0 110.5 179.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 325' ' ' ASP . . . . . 0.71 ' HA ' ' HD2' ' A' ' 328' ' ' ARG . 0.4 OUTLIER -67.91 -43.41 79.3 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-O 121.02 0.438 . . . . 10.0 110.204 179.168 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -67.41 -31.77 72.21 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.349 -0.612 . . . . 10.0 109.349 178.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 12.3 mt -66.3 -35.56 80.71 Favored 'General case' 0 CA--C 1.519 -0.236 0 N-CA-C 109.116 -0.698 . . . . 10.0 109.116 177.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 328' ' ' ARG . . . . . 0.71 ' HD2' ' HA ' ' A' ' 325' ' ' ASP . 86.3 mtt180 -62.89 -40.37 97.32 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.688 -0.856 . . . . 10.0 108.688 178.311 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -67.09 -39.36 86.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.471 -0.786 . . . . 10.0 109.381 178.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 330' ' ' ARG . . . . . 0.548 HH21 ' HB3' ' D' ' 447' ' ' GLU . 46.0 mtt-85 -62.38 -54.33 41.92 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 115.815 -0.63 . . . . 10.0 110.016 179.082 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 86.1 mt -60.56 -35.75 76.82 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.651 -0.704 . . . . 10.0 111.292 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -63.59 -51.46 65.2 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.017 179.057 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -60.91 -42.18 97.57 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.274 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 27.1 mmt180 -61.03 -49.64 76.59 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-N 115.753 -0.658 . . . . 10.0 109.86 178.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 16.4 mt -59.37 -43.51 92.86 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 116.27 -0.423 . . . . 10.0 111.433 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -63.79 -43.55 95.98 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.472 -0.331 . . . . 10.0 111.047 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -65.51 -42.75 91.72 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.555 -0.535 . . . . 10.0 109.555 178.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 80.0 mt -65.36 -26.19 67.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.425 -0.807 . . . . 10.0 110.786 179.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 71.3 mttt -82.2 -49.53 10.02 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.847 -0.161 . . . . 10.0 110.86 179.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -59.56 -51.57 69.28 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.159 0.504 . . . . 10.0 110.072 179.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -73.23 -31.3 64.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.795 -0.639 . . . . 10.0 109.8 179.234 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -62.67 -44.64 97.22 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 121.088 -0.577 . . . . 10.0 111.903 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -62.95 -39.23 97.8 Favored Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 110.483 -1.047 . . . . 10.0 110.483 178.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -65.11 -41.77 94.59 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.705 -0.48 . . . . 10.0 109.705 178.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 345' ' ' ARG . . . . . 0.449 HH11 ' HD3' ' A' ' 345' ' ' ARG . 23.3 mtm180 -65.52 -45.32 83.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.568 -0.742 . . . . 10.0 110.754 179.226 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 346' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 346' ' ' LEU . 22.0 mt -59.66 -49.59 77.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.416 -0.356 . . . . 10.0 110.615 179.376 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.88 -41.44 87.13 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.303 179.237 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -65.48 -45.01 85.31 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.563 179.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -66.25 -37.17 84.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.344 -0.389 . . . . 10.0 111.046 179.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 32.0 m-70 -63.86 -41.01 97.88 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.201 -0.666 . . . . 10.0 109.201 178.22 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -67.94 -44.97 75.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.861 -0.609 . . . . 10.0 109.605 178.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 12.8 mtmm -60.52 -40.41 91.32 Favored 'General case' 0 C--O 1.226 -0.182 0 CA-C-N 116.049 -0.523 . . . . 10.0 110.172 179.004 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -62.68 -34.34 76.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.214 -0.448 . . . . 10.0 109.957 178.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 12.8 m -68.31 -37.59 80.74 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.032 -0.729 . . . . 10.0 109.032 178.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -68.94 -34.61 75.64 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.404 -0.591 . . . . 10.0 109.404 178.158 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -73.08 -29.58 63.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.646 -0.706 . . . . 10.0 109.549 178.371 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 17.9 mt -71.27 -41.99 69.33 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.924 -0.58 . . . . 10.0 111.358 179.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.49 -45.48 92.84 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.005 0.431 . . . . 10.0 110.043 179.605 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 1.9 p -71.26 -29.96 65.72 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.065 179.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 38.7 tp -68.62 -35.01 76.74 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 108.887 -0.783 . . . . 10.0 108.887 177.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 49.5 m -63.03 -32.0 73.27 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.807 -0.633 . . . . 10.0 109.775 178.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 362' ' ' GLU . . . . . 0.442 ' HA ' ' HD2' ' A' ' 366' ' ' PRO . 5.3 mm-40 -70.63 -20.55 62.72 Favored 'General case' 0 CA--C 1.522 -0.1 0 CA-C-N 115.96 -0.563 . . . . 10.0 109.681 178.699 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 363' ' ' LYS . . . . . 0.692 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 89.3 mttt -91.68 -46.94 7.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.719 -0.673 . . . . 10.0 109.6 179.196 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 364' ' ' ALA . . . . . 0.516 ' HA ' HD12 ' A' ' 368' ' ' LEU . . . -67.19 -31.11 71.29 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.681 -0.69 . . . . 10.0 112.388 -179.54 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 365' ' ' LYS . . . . . 0.803 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 51.0 mtmt -102.66 -79.2 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.509 0 N-CA-C 113.867 1.062 . . . . 10.0 113.867 -179.687 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 366' ' ' PRO . . . . . 0.803 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 32.2 Cg_exo -59.15 -53.27 3.76 Favored 'Trans proline' 0 C--N 1.356 0.923 0 C-N-CA 122.101 1.867 . . . . 10.0 114.052 -178.667 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 367' ' ' ALA . . . . . 0.692 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -58.87 -53.52 57.48 Favored 'General case' 0 C--N 1.333 -0.135 0 N-CA-C 111.541 0.2 . . . . 10.0 111.541 -179.433 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 368' ' ' LEU . . . . . 0.516 HD12 ' HA ' ' A' ' 364' ' ' ALA . 10.6 mt -60.63 -37.36 81.22 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-N 116.703 -0.226 . . . . 10.0 111.035 179.624 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.8 -53.18 60.98 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.826 -0.435 . . . . 10.0 109.826 178.657 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -59.78 -40.35 87.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.732 -0.667 . . . . 10.0 110.334 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 96.1 mt -66.46 -41.36 89.17 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.784 -0.644 . . . . 10.0 110.765 179.194 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 372' ' ' ARG . . . . . 0.45 ' O ' ' HG ' ' A' ' 376' ' ' LEU . 89.4 mtt180 -66.82 -44.59 80.78 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.834 -0.432 . . . . 10.0 109.834 179.279 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -63.92 -29.32 70.51 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.58 -0.737 . . . . 10.0 110.129 179.234 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 374' ' ' GLY . . . . . 0.401 ' O ' HG23 ' A' ' 378' ' ' VAL . . . -83.15 -28.78 35.89 Favored Glycine 0 N--CA 1.449 -0.461 0 N-CA-C 110.981 -0.848 . . . . 10.0 110.981 178.59 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 9.3 mt -73.45 -28.3 61.88 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 122.24 0.216 . . . . 10.0 111.009 179.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 376' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 372' ' ' ARG . 71.6 mt -53.61 -59.78 8.72 Favored Pre-proline 0 CA--C 1.534 0.356 0 CA-C-N 116.158 -0.474 . . . . 10.0 111.148 179.429 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 377' ' ' PRO . . . . . 0.415 ' HD3' ' HB2' ' A' ' 376' ' ' LEU . 29.3 Cg_endo -65.34 -26.79 55.73 Favored 'Trans proline' 0 C--N 1.355 0.87 0 C-N-CA 121.774 1.649 . . . . 10.0 111.059 178.48 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 378' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 374' ' ' GLY . 18.7 t -62.86 -51.22 74.65 Favored 'Isoleucine or valine' 0 C--O 1.231 0.125 0 N-CA-C 108.828 -0.805 . . . . 10.0 108.828 178.456 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 379' ' ' LEU . . . . . 0.411 ' O ' ' HG3' ' A' ' 383' ' ' LYS . 91.3 mt -61.83 -36.51 81.37 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.256 -0.646 . . . . 10.0 109.256 178.641 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 380' ' ' GLU . . . . . 0.43 ' O ' HG23 ' A' ' 384' ' ' VAL . 6.9 mm-40 -62.28 -49.5 75.41 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.493 178.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 7.6 p -65.26 -33.58 76.32 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 120.914 0.387 . . . . 10.0 110.702 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -70.82 -38.84 73.29 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.98 -0.555 . . . . 10.0 111.037 179.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 383' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' A' ' 379' ' ' LEU . 93.4 mttt -58.28 -45.47 87.85 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 109.749 -0.463 . . . . 10.0 109.749 178.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 384' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 380' ' ' GLU . 43.0 t -56.58 -48.24 80.78 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.575 179.394 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 1.6 p -65.04 -35.25 80.56 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.312 -0.404 . . . . 10.0 111.928 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -69.63 -40.41 76.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.696 0.284 . . . . 10.0 110.746 179.556 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 53.2 mt -61.16 -46.66 89.6 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.84 179.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 388' ' ' SER . . . . . 0.524 ' HB2' ' HE2' ' D' ' 594' ' ' LYS . 2.0 p -69.16 -36.11 77.03 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 120.838 0.351 . . . . 10.0 110.836 179.475 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -58.94 -48.7 80.57 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.688 179.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 97.4 mt -61.09 -36.16 78.94 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.454 179.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -68.79 -45.24 71.81 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.956 -0.566 . . . . 10.0 110.134 179.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 392' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' A' ' 388' ' ' SER . 69.2 mm-40 -56.98 -39.89 75.48 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.077 0.465 . . . . 10.0 110.358 179.024 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -64.82 -47.86 76.47 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.833 -0.621 . . . . 10.0 110.586 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 10.0 m -68.49 -26.44 65.47 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 112.205 0.446 . . . . 10.0 112.205 -179.221 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -81.16 -30.92 34.32 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.076 0.399 . . . . 10.0 112.076 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 396' ' ' LYS . . . . . 0.535 ' HE2' ' HA ' ' D' ' 587' ' ' ALA . 12.4 mptt -99.6 -47.4 5.11 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 113.414 0.894 . . . . 10.0 113.414 -178.582 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 69.7 mt -83.38 -6.48 59.48 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.349 0.5 . . . . 10.0 112.349 -178.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 54.7 t30 . . . . . 0 C--N 1.325 -0.498 0 CA-C-O 120.594 0.235 . . . . 10.0 110.872 -179.949 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 3.0 mm? . . . . . 0 N--CA 1.462 0.147 0 CA-C-O 120.897 0.38 . . . . 10.0 110.408 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.91 18.2 22.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.562 -179.609 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 91.6 mt -66.52 -23.52 66.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.856 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 58.7 mt -64.33 -42.15 96.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.035 -0.529 . . . . 10.0 109.681 179.248 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -67.8 -36.55 80.62 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.522 -0.763 . . . . 10.0 109.686 179.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 404' ' ' ASN . . . . . 0.478 ' O ' HG23 ' D' ' 408' ' ' VAL . 13.4 t-20 -64.66 -45.41 86.88 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.872 -0.788 . . . . 10.0 108.872 178.643 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -64.09 -36.57 84.45 Favored 'General case' 0 N--CA 1.456 -0.135 0 CA-C-N 115.414 -0.812 . . . . 10.0 110.542 179.587 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -63.11 -44.1 96.59 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.069 0.461 . . . . 10.0 109.85 178.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 40.1 m -61.76 -34.83 76.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.741 -0.663 . . . . 10.0 110.317 178.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 408' ' ' VAL . . . . . 0.478 HG23 ' O ' ' D' ' 404' ' ' ASN . 93.2 t -72.34 -42.61 65.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.263 0.554 . . . . 10.0 109.799 178.686 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 41.5 m -63.44 -39.64 95.01 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.892 -0.595 . . . . 10.0 110.016 179.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 50.7 m -63.74 -43.97 94.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.597 178.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 411' ' ' THR . . . . . 0.483 ' O ' ' HG ' ' D' ' 415' ' ' LEU . 1.0 OUTLIER -68.33 -32.83 73.23 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.814 0.34 . . . . 10.0 110.544 179.363 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 5.2 m-30 -66.68 -38.2 86.3 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.045 -0.724 . . . . 10.0 109.045 178.093 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 22.4 m -68.16 -37.17 80.73 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 108.799 -0.815 . . . . 10.0 108.799 178.091 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 414' ' ' LYS . . . . . 0.601 ' HA ' ' HG3' ' D' ' 417' ' ' GLU . 38.4 mmtt -66.99 -27.21 67.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.028 178.335 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 415' ' ' LEU . . . . . 0.523 ' O ' ' HG ' ' D' ' 419' ' ' LEU . 68.7 mt -68.91 -38.22 79.43 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 108.513 -0.921 . . . . 10.0 108.513 177.666 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 71.5 mtt180 -66.31 -32.97 74.69 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.416 -0.811 . . . . 10.0 109.824 178.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 417' ' ' GLU . . . . . 0.601 ' HG3' ' HA ' ' D' ' 414' ' ' LYS . 1.5 mm-40 -62.49 -26.42 68.53 Favored 'General case' 0 C--O 1.226 -0.157 0 CA-C-N 115.606 -0.724 . . . . 10.0 109.354 178.483 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 418' ' ' GLN . . . . . 0.401 ' NE2' ' HA ' ' D' ' 415' ' ' LEU . 34.6 mt-30 -90.78 -50.7 5.75 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.565 -0.743 . . . . 10.0 109.106 178.516 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 419' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' D' ' 415' ' ' LEU . 95.9 mt -46.14 -43.86 15.31 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.603 -0.726 . . . . 10.0 112.212 -179.613 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -57.11 -76.76 0.19 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 121.093 -0.575 . . . . 10.0 112.458 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -54.76 -43.09 62.5 Favored 'Trans proline' 0 C--O 1.234 0.291 0 C-N-CA 123.191 2.594 . . . . 10.0 113.135 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 46.6 t -56.23 -50.67 69.87 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.369 0 N-CA-C 111.995 0.368 . . . . 10.0 111.995 -179.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 39.5 p -65.58 -35.54 81.14 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.697 -0.401 . . . . 10.0 111.118 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -57.06 -49.54 75.53 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.033 -0.531 . . . . 10.0 110.434 179.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -81.55 -25.2 36.05 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.916 -0.584 . . . . 10.0 111.139 179.521 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 426' ' ' PHE . . . . . 0.561 ' O ' ' HG ' ' D' ' 430' ' ' LEU . 47.8 t80 -65.18 -42.78 93.3 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.831 -0.433 . . . . 10.0 109.831 179.042 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 427' ' ' TRP . . . . . 0.443 ' O ' ' HG3' ' D' ' 431' ' ' GLU . 10.3 m95 -66.94 -36.04 81.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.966 -0.561 . . . . 10.0 109.534 178.759 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -67.94 -37.42 81.61 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.515 -0.92 . . . . 10.0 108.515 178.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 429' ' ' ASN . . . . . 0.407 ' OD1' ' HG2' ' A' ' 345' ' ' ARG . 4.5 t30 -65.08 -43.96 90.44 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 115.292 -0.867 . . . . 10.0 108.665 177.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 430' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' D' ' 426' ' ' PHE . 96.8 mt -59.09 -36.33 74.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.274 -0.875 . . . . 10.0 110.136 179.169 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 431' ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' D' ' 427' ' ' TRP . 19.6 mt-10 -66.1 -42.36 89.39 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.219 178.749 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 36.7 mttp -63.69 -40.95 98.06 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 108.957 -0.757 . . . . 10.0 108.957 178.366 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -65.0 -46.93 79.35 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.493 -0.776 . . . . 10.0 110.361 178.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 1.7 p -65.72 -47.07 76.59 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-N 116.692 -0.231 . . . . 10.0 111.448 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -61.37 -42.19 98.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.683 0.278 . . . . 10.0 110.326 178.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -63.95 -49.32 68.41 Favored Glycine 0 N--CA 1.446 -0.64 0 N-CA-C 110.314 -1.114 . . . . 10.0 110.314 178.304 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 11.4 mt -60.27 -34.76 74.17 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-O 120.514 0.197 . . . . 10.0 110.791 178.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 71.2 mtt180 -66.25 -36.77 83.87 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.689 -0.485 . . . . 10.0 109.689 178.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -70.93 -34.1 71.16 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.275 0.56 . . . . 10.0 109.628 178.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 440' ' ' GLU . . . . . 0.426 ' O ' ' HB2' ' D' ' 444' ' ' ASP . 52.4 mt-10 -73.82 -47.86 35.48 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.504 -0.771 . . . . 10.0 109.965 178.622 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 96.8 mmm -72.07 -24.79 61.57 Favored 'General case' 0 C--O 1.225 -0.209 0 N-CA-C 113.453 0.909 . . . . 10.0 113.453 -178.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 2.8 p -64.08 -56.72 12.94 Favored 'General case' 0 CA--C 1.512 -0.489 0 C-N-CA 120.168 -0.613 . . . . 10.0 109.727 179.403 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 443' ' ' LYS . . . . . 0.419 ' HE3' ' HB3' ' D' ' 443' ' ' LYS . 22.4 mtpp -62.89 -35.02 78.66 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.479 -0.563 . . . . 10.0 109.479 178.68 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 444' ' ' ASP . . . . . 0.426 ' HB2' ' O ' ' D' ' 440' ' ' GLU . 2.5 t0 -63.08 -54.41 38.48 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.481 -0.781 . . . . 10.0 110.729 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 89.6 mt -67.87 -42.92 80.56 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.336 -0.393 . . . . 10.0 111.922 -179.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -61.7 -49.63 75.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.77 0.319 . . . . 10.0 110.737 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 447' ' ' GLU . . . . . 0.548 ' HB3' HH21 ' A' ' 330' ' ' ARG . 8.5 tt0 -70.71 -23.49 62.47 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 116.366 -0.379 . . . . 10.0 110.214 179.142 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 1.2 t -64.2 -34.81 71.32 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.146 0 N-CA-C 109.125 -0.694 . . . . 10.0 109.125 178.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -66.31 -33.56 76.01 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 108.797 -0.816 . . . . 10.0 108.797 178.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -86.13 -0.96 56.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.057 -0.974 . . . . 10.0 110.619 179.06 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 33.2 mmtm -105.65 -52.74 2.77 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.065 -0.516 . . . . 10.0 109.899 179.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 90.8 t -58.25 -42.86 84.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.183 -0.462 . . . . 10.0 111.965 -179.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 453' ' ' GLN . . . . . 0.542 ' HB2' ' HD3' ' D' ' 454' ' ' PRO . 33.9 mt-30 -56.69 -62.19 5.47 Favored Pre-proline 0 C--N 1.327 -0.389 0 N-CA-C 112.737 0.643 . . . . 10.0 112.737 -179.713 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 454' ' ' PRO . . . . . 0.542 ' HD3' ' HB2' ' D' ' 453' ' ' GLN . 23.9 Cg_exo -66.01 -32.47 44.22 Favored 'Trans proline' 0 C--N 1.353 0.79 0 C-N-CA 122.028 1.819 . . . . 10.0 111.95 179.282 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 455' ' ' TYR . . . . . 0.46 ' O ' ' HB2' ' D' ' 459' ' ' PHE . 51.1 t80 -63.3 -47.71 81.16 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 110.156 -0.313 . . . . 10.0 110.156 178.691 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 23.6 mt -71.11 -31.66 68.04 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 116.396 -0.365 . . . . 10.0 110.304 179.38 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -64.72 -48.73 73.55 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.124 -0.695 . . . . 10.0 109.124 178.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -68.39 -34.6 76.32 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.688 -0.687 . . . . 10.0 109.873 179.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 459' ' ' PHE . . . . . 0.46 ' HB2' ' O ' ' D' ' 455' ' ' TYR . 0.2 OUTLIER -67.14 -41.61 85.78 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.618 -0.719 . . . . 10.0 109.43 178.755 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -62.23 -41.31 98.29 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 115.835 -0.62 . . . . 10.0 109.727 178.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 67.3 mttt -61.22 -41.99 97.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.939 -0.573 . . . . 10.0 109.59 178.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 3.8 mtmm -68.68 -35.61 77.43 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.829 178.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 30.9 m0 -64.95 -43.06 93.96 Favored 'General case' 0 CA--C 1.52 -0.197 0 N-CA-C 108.642 -0.873 . . . . 10.0 108.642 177.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -62.42 -43.57 98.51 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 115.595 -0.73 . . . . 10.0 109.405 178.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 465' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -56.65 -48.94 76.45 Favored 'General case' 0 CA--C 1.521 -0.172 0 N-CA-C 108.915 -0.772 . . . . 10.0 108.915 178.099 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.25 -40.54 96.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.765 -0.652 . . . . 10.0 110.718 179.274 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 61.1 mtt -62.53 -47.43 83.94 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 109.779 -0.452 . . . . 10.0 109.779 179.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 468' ' ' GLU . . . . . 0.453 ' O ' ' HG3' ' D' ' 472' ' ' GLN . 50.9 mt-10 -64.8 -43.08 94.33 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.707 -0.679 . . . . 10.0 109.803 178.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 469' ' ' LEU . . . . . 0.658 HD21 ' HG3' ' A' ' 308' ' ' ARG . 30.5 mt -61.65 -42.66 99.21 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.492 179.343 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 -63.79 -29.14 70.38 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.387 -0.37 . . . . 10.0 111.259 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 471' ' ' ARG . . . . . 0.845 ' HA ' ' HG3' ' D' ' 475' ' ' GLU . 64.1 mtt85 -77.23 -20.81 54.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.218 0.533 . . . . 10.0 110.169 178.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 472' ' ' GLN . . . . . 0.453 ' HG3' ' O ' ' D' ' 468' ' ' GLU . 58.0 mt-30 -105.04 0.88 28.03 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.416 0.627 . . . . 10.0 109.767 179.27 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 473' ' ' LYS . . . . . 0.92 ' HE3' ' HB3' ' A' ' 301' ' ' LEU . 4.5 mptt -121.31 -80.7 0.63 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.239 -0.891 . . . . 10.0 110.105 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 8.5 t -53.42 -44.48 55.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.909 -0.587 . . . . 10.0 112.552 -178.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 475' ' ' GLU . . . . . 0.845 ' HG3' ' HA ' ' D' ' 471' ' ' ARG . 4.5 mt-10 -59.81 -59.2 14.6 Favored Pre-proline 0 CA--C 1.535 0.398 0 N-CA-C 112.246 0.462 . . . . 10.0 112.246 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 476' ' ' PRO . . . . . 0.731 ' HD3' ' HB2' ' D' ' 475' ' ' GLU . 31.9 Cg_exo -63.66 -38.29 41.55 Favored 'Trans proline' 0 C--N 1.355 0.902 0 C-N-CA 121.98 1.787 . . . . 10.0 111.348 178.29 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 45.6 mt -64.06 -34.3 77.7 Favored 'General case' 0 C--O 1.22 -0.489 0 N-CA-C 109.624 -0.51 . . . . 10.0 109.624 178.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 478' ' ' ARG . . . . . 0.573 ' O ' ' HB2' ' D' ' 482' ' ' GLN . 2.2 mtt-85 -59.23 -35.64 74.03 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.062 -0.718 . . . . 10.0 109.062 178.528 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -73.55 -47.57 39.76 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.742 -0.663 . . . . 10.0 109.969 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.44 -40.63 97.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.365 -0.379 . . . . 10.0 110.689 179.306 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 90.9 mt -69.61 -33.8 73.19 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.504 -0.554 . . . . 10.0 109.504 178.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 482' ' ' GLN . . . . . 0.573 ' HB2' ' O ' ' D' ' 478' ' ' ARG . 3.3 tp60 -66.6 -41.96 87.63 Favored 'General case' 0 CA--C 1.52 -0.204 0 N-CA-C 108.348 -0.982 . . . . 10.0 108.348 178.266 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -64.34 -43.62 94.05 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.342 -0.984 . . . . 10.0 108.342 178.211 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -63.16 -36.69 93.78 Favored Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 115.29 -0.868 . . . . 10.0 111.119 178.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -67.9 -39.74 83.57 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 109.673 -0.491 . . . . 10.0 109.673 178.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 74.0 mtt180 -64.96 -39.98 94.31 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.188 -0.671 . . . . 10.0 109.188 178.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -64.49 -48.71 74.17 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 108.79 -0.818 . . . . 10.0 108.79 178.079 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 488' ' ' LYS . . . . . 0.426 ' O ' ' HG ' ' D' ' 492' ' ' LEU . 85.7 tttt -59.39 -44.05 92.84 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.455 -0.793 . . . . 10.0 110.06 178.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 15.7 mt -61.78 -43.12 99.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.453 . . . . 10.0 109.802 178.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 490' ' ' HIS . . . . . 0.496 ' O ' ' HG3' ' D' ' 494' ' ' GLU . 6.5 t-160 -63.19 -47.99 80.24 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.862 -0.792 . . . . 10.0 108.862 179.021 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -55.1 -45.13 75.44 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.69 -0.686 . . . . 10.0 110.076 178.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 492' ' ' LEU . . . . . 0.56 ' O ' ' HG ' ' D' ' 496' ' ' LEU . 83.9 mt -68.03 -50.32 56.11 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.945 -0.57 . . . . 10.0 111.345 179.703 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -56.04 -40.49 73.58 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 112.409 0.522 . . . . 10.0 112.409 -179.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 494' ' ' GLU . . . . . 0.496 ' HG3' ' O ' ' D' ' 490' ' ' HIS . 46.5 mt-10 -68.24 -8.91 43.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.91 0.386 . . . . 10.0 111.442 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 495' ' ' LYS . . . . . 0.505 ' O ' ' HB2' ' D' ' 499' ' ' LEU . 25.7 mttp -112.4 -25.91 8.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.082 0.468 . . . . 10.0 110.001 178.491 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 496' ' ' LEU . . . . . 0.56 ' HG ' ' O ' ' D' ' 492' ' ' LEU . 95.8 mt -70.12 -35.33 74.02 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.222 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 497' ' ' SER . . . . . 0.518 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 16.0 m -69.48 -59.63 4.68 Favored Pre-proline 0 CA--C 1.541 0.625 0 N-CA-C 112.163 0.431 . . . . 10.0 112.163 179.731 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 498' ' ' PRO . . . . . 0.518 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 40.4 Cg_endo -69.28 -60.17 0.08 OUTLIER 'Trans proline' 0 C--N 1.353 0.79 0 C-N-CA 121.814 1.676 . . . . 10.0 112.91 -179.69 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 499' ' ' LEU . . . . . 0.505 ' HB2' ' O ' ' D' ' 495' ' ' LYS . 56.4 mt -65.02 -34.9 79.55 Favored 'General case' 0 C--O 1.223 -0.296 0 N-CA-C 112.344 0.498 . . . . 10.0 112.344 -178.537 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -61.95 -44.44 97.81 Favored Glycine 0 N--CA 1.45 -0.371 0 N-CA-C 110.582 -1.007 . . . . 10.0 110.582 179.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -73.75 -34.79 64.89 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 109.513 -0.551 . . . . 10.0 109.513 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 502' ' ' GLU . . . . . 0.443 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 5.3 tt0 -63.79 -43.93 94.86 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.381 -0.6 . . . . 10.0 109.381 178.782 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 503' ' ' MET . . . . . 0.767 ' HA ' ' HD2' ' D' ' 506' ' ' ARG . 86.4 mmm -62.14 -36.25 81.23 Favored 'General case' 0 CA--C 1.516 -0.363 0 N-CA-C 108.975 -0.75 . . . . 10.0 108.975 178.457 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 504' ' ' ARG . . . . . 0.428 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 90.1 mtt180 -64.21 -45.91 86.2 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 108.818 -0.808 . . . . 10.0 108.818 177.495 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 505' ' ' ASP . . . . . 0.658 ' HA ' ' HD2' ' D' ' 508' ' ' ARG . 2.0 m-20 -60.38 -39.21 86.45 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.13 0.491 . . . . 10.0 109.819 178.522 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 506' ' ' ARG . . . . . 0.767 ' HD2' ' HA ' ' D' ' 503' ' ' MET . 46.9 mtt180 -62.38 -50.06 73.06 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 108.387 -0.968 . . . . 10.0 108.387 178.047 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -58.46 -41.93 86.3 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.113 -0.949 . . . . 10.0 110.44 179.136 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 508' ' ' ARG . . . . . 0.658 ' HD2' ' HA ' ' D' ' 505' ' ' ASP . 80.1 mtt180 -60.18 -44.48 95.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.119 -0.492 . . . . 10.0 109.843 178.768 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 509' ' ' ALA . . . . . 0.593 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -66.44 -34.19 77.39 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.713 179.644 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 510' ' ' HIS . . . . . 0.45 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 28.7 m-70 -72.65 -43.64 62.92 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.086 -0.506 . . . . 10.0 110.0 178.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 511' ' ' VAL . . . . . 0.468 ' O ' ' HG3' ' D' ' 515' ' ' ARG . 37.4 t -65.04 -40.66 89.76 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 N-CA-C 108.951 -0.759 . . . . 10.0 108.951 178.495 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -60.98 -42.04 97.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.362 -0.835 . . . . 10.0 109.459 178.318 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -63.41 -46.3 87.02 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 109.042 -0.725 . . . . 10.0 109.042 178.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 514' ' ' LEU . . . . . 0.476 ' HA ' ' HB2' ' D' ' 517' ' ' HIS . 90.3 mt -59.25 -26.28 64.77 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.182 -0.463 . . . . 10.0 111.512 179.599 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 515' ' ' ARG . . . . . 0.468 ' HG3' ' O ' ' D' ' 511' ' ' VAL . 86.6 mtt180 -69.19 -27.39 65.46 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 109.549 -0.538 . . . . 10.0 109.549 178.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 1.3 m -107.92 2.08 23.1 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.368 0.604 . . . . 10.0 110.265 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 517' ' ' HIS . . . . . 0.476 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 28.9 m170 -113.69 -61.93 1.67 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.184 -179.747 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 518' ' ' LEU . . . . . 0.453 ' HG ' HD22 ' D' ' 514' ' ' LEU . 61.5 mt -74.07 -46.97 39.73 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.236 0.458 . . . . 10.0 112.236 -178.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 519' ' ' ALA . . . . . 0.665 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -55.61 -57.66 19.86 Favored Pre-proline 0 C--N 1.327 -0.393 0 N-CA-C 112.866 0.691 . . . . 10.0 112.866 -179.278 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 520' ' ' PRO . . . . . 0.665 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 32.2 Cg_exo -61.97 -38.14 60.03 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 122.01 1.807 . . . . 10.0 111.354 179.232 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -66.37 -30.14 70.47 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-O 120.817 0.342 . . . . 10.0 110.623 179.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 522' ' ' SER . . . . . 0.484 ' O ' ' HG3' ' D' ' 526' ' ' ARG . 69.0 m -67.36 -34.24 76.9 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 108.746 -0.835 . . . . 10.0 108.746 178.339 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -70.54 -37.74 74.11 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 109.046 -0.724 . . . . 10.0 109.046 178.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.18 -42.85 99.44 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 108.224 -1.028 . . . . 10.0 108.224 177.214 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 49.2 mt -63.91 -32.98 74.7 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 115.266 -0.879 . . . . 10.0 110.013 178.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 526' ' ' ARG . . . . . 0.484 ' HG3' ' O ' ' D' ' 522' ' ' SER . 65.4 mtt180 -65.58 -42.22 92.0 Favored 'General case' 0 C--N 1.334 -0.087 0 N-CA-C 109.541 -0.541 . . . . 10.0 109.541 178.442 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -62.38 -43.34 99.05 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 109.008 -0.738 . . . . 10.0 109.008 178.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 528' ' ' ARG . . . . . 0.57 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 66.5 mtt180 -69.01 -37.14 78.5 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.991 -1.004 . . . . 10.0 110.417 179.243 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 1.7 mt -61.62 -42.71 99.26 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.367 -0.605 . . . . 10.0 109.367 178.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -60.29 -48.1 83.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.862 -0.608 . . . . 10.0 110.646 179.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -65.55 -46.42 79.6 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 116.024 -0.535 . . . . 10.0 110.367 179.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 532' ' ' ARG . . . . . 0.671 ' O ' ' HG ' ' D' ' 536' ' ' LEU . 5.2 ttm180 -58.79 -48.14 82.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.874 -0.603 . . . . 10.0 109.392 179.088 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 47.3 mt -61.64 -39.1 90.1 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.629 179.184 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -60.04 -43.71 95.15 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.945 -0.391 . . . . 10.0 109.945 178.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -64.83 -40.24 94.86 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.728 -0.669 . . . . 10.0 109.513 178.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 536' ' ' LEU . . . . . 0.671 ' HG ' ' O ' ' D' ' 532' ' ' ARG . 52.0 mt -68.68 -35.82 77.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.857 -0.61 . . . . 10.0 110.654 179.379 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 42.2 mtmt -71.11 -39.39 72.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.122 0.487 . . . . 10.0 109.834 179.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -66.45 -49.28 67.23 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.732 -0.667 . . . . 10.0 109.608 179.1 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -67.18 -43.7 81.52 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.443 -0.798 . . . . 10.0 110.492 179.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -64.23 -40.27 97.82 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 111.452 -0.659 . . . . 10.0 111.452 179.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -66.11 -38.23 93.77 Favored Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 110.987 -0.845 . . . . 10.0 110.987 178.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -69.93 -48.93 56.58 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 108.693 -0.854 . . . . 10.0 108.693 178.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 543' ' ' ARG . . . . . 0.419 ' HA ' ' HB2' ' D' ' 546' ' ' GLU . 53.2 mtt180 -60.8 -25.22 66.4 Favored 'General case' 0 C--O 1.217 -0.634 0 CA-C-N 115.6 -0.727 . . . . 10.0 110.591 179.325 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 5.9 mt -65.0 -47.7 76.58 Favored 'General case' 0 CA--C 1.518 -0.267 0 N-CA-C 109.676 -0.49 . . . . 10.0 109.676 178.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -69.1 -39.27 79.07 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.875 -0.602 . . . . 10.0 109.47 178.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 546' ' ' GLU . . . . . 0.516 ' O ' ' HD2' ' D' ' 550' ' ' LYS . 77.8 mt-10 -62.45 -51.9 65.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.426 -0.807 . . . . 10.0 110.002 179.04 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 14.6 m-30 -61.88 -38.07 86.93 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.549 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 3.6 m170 -63.95 -45.47 88.98 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.043 0.449 . . . . 10.0 110.107 179.091 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -61.25 -48.55 80.92 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.542 -0.54 . . . . 10.0 109.542 178.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 550' ' ' LYS . . . . . 0.516 ' HD2' ' O ' ' D' ' 546' ' ' GLU . 0.1 OUTLIER -62.81 -38.3 90.15 Favored 'General case' 0 C--O 1.219 -0.54 0 CA-C-N 115.713 -0.676 . . . . 10.0 110.695 179.427 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -64.38 -40.79 96.51 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 110.086 -0.339 . . . . 10.0 110.086 179.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 21.4 m -65.78 -44.19 86.54 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.042 -0.725 . . . . 10.0 109.042 178.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -65.08 -45.35 85.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.719 -0.673 . . . . 10.0 110.416 179.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 24.3 t60 -61.58 -34.67 76.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.117 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 15.1 tp -71.39 -38.41 71.5 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 116.275 -0.42 . . . . 10.0 110.551 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -42.91 96.68 Favored 'General case' 0 C--O 1.225 -0.185 0 C-N-CA 120.976 -0.29 . . . . 10.0 110.339 178.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.52 -33.4 75.0 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 109.623 -0.51 . . . . 10.0 109.623 178.54 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 16.0 mt -62.57 -46.29 89.03 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.713 -0.676 . . . . 10.0 109.933 178.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.06 -35.73 61.84 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.727 0.298 . . . . 10.0 110.624 179.753 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -60.15 -28.47 67.93 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.128 178.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 561' ' ' LYS . . . . . 0.422 ' HA ' ' HD2' ' D' ' 561' ' ' LYS . 8.1 mptt -97.04 -39.1 9.5 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.806 -0.634 . . . . 10.0 110.904 179.08 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -61.36 -43.99 97.93 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 112.414 0.524 . . . . 10.0 112.414 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -54.41 -62.1 4.53 Favored Pre-proline 0 CA--C 1.536 0.437 0 N-CA-C 112.238 0.458 . . . . 10.0 112.238 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.22 -31.53 44.23 Favored 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 121.983 1.789 . . . . 10.0 111.861 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -65.69 -47.37 75.64 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 109.895 -0.409 . . . . 10.0 109.895 178.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 28.1 mt -59.95 -48.79 80.24 Favored 'General case' 0 CA--C 1.516 -0.355 0 N-CA-C 109.224 -0.658 . . . . 10.0 109.224 178.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -58.45 -53.17 61.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.84 -0.618 . . . . 10.0 110.9 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.55 -45.6 93.46 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.091 -0.504 . . . . 10.0 111.797 -179.543 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 569' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' D' ' 569' ' ' LEU . 26.9 mt -63.6 -38.64 91.9 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.809 -0.178 . . . . 10.0 111.02 179.619 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -66.39 -45.77 78.93 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.625 -0.509 . . . . 10.0 109.625 178.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -67.68 -20.82 65.34 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.968 -0.56 . . . . 10.0 111.063 179.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -88.47 -42.1 5.91 Favored Glycine 0 N--CA 1.443 -0.839 0 N-CA-C 110.668 -0.973 . . . . 10.0 110.668 178.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 19.8 mt -64.11 -28.12 69.55 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 122.276 0.231 . . . . 10.0 111.033 179.402 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 574' ' ' LEU . . . . . 0.481 ' O ' ' HG2' ' D' ' 578' ' ' GLU . 34.5 mt -54.6 -64.24 2.14 Favored Pre-proline 0 CA--C 1.536 0.417 0 O-C-N 123.111 0.257 . . . . 10.0 111.579 179.434 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -70.83 -30.06 17.88 Favored 'Trans proline' 0 C--N 1.355 0.883 0 C-N-CA 121.692 1.595 . . . . 10.0 111.612 179.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 16.8 t -63.99 -48.33 86.49 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-N 116.833 -0.167 . . . . 10.0 110.66 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 36.5 mt -63.37 -39.33 94.23 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 110.264 -0.273 . . . . 10.0 110.264 179.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 578' ' ' GLU . . . . . 0.481 ' HG2' ' O ' ' D' ' 574' ' ' LEU . 20.2 mm-40 -64.51 -43.41 94.16 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 109.647 -0.501 . . . . 10.0 109.647 178.43 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 69.3 m -61.94 -42.02 98.63 Favored 'General case' 0 CA--C 1.528 0.134 0 N-CA-C 109.42 -0.585 . . . . 10.0 109.42 178.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -63.51 -43.42 97.27 Favored 'General case' 0 C--N 1.334 -0.066 0 CA-C-N 115.593 -0.73 . . . . 10.0 110.616 179.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -58.48 -42.58 87.84 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.681 -0.488 . . . . 10.0 109.681 178.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 582' ' ' VAL . . . . . 0.407 HG23 ' O ' ' D' ' 578' ' ' GLU . 69.4 t -61.46 -48.75 87.39 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-N 115.824 -0.626 . . . . 10.0 110.173 178.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 13.8 p -63.25 -41.01 99.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.374 -0.376 . . . . 10.0 111.292 179.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 584' ' ' PHE . . . . . 0.402 ' O ' ' HG ' ' D' ' 588' ' ' LEU . 11.6 m-85 -66.88 -45.04 79.31 Favored 'General case' 0 CA--C 1.523 -0.065 0 CA-C-N 116.493 -0.321 . . . . 10.0 111.013 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 34.3 mt -59.7 -46.08 90.15 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.867 0.365 . . . . 10.0 110.361 179.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 11.3 m -66.86 -32.25 73.4 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.843 179.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 587' ' ' ALA . . . . . 0.535 ' HA ' ' HE2' ' A' ' 396' ' ' LYS . . . -72.16 -51.89 19.17 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.821 0.344 . . . . 10.0 110.776 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 588' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' D' ' 584' ' ' PHE . 82.1 mt -64.06 -41.42 97.38 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.261 -179.466 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -58.7 -47.67 83.77 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.055 -0.521 . . . . 10.0 111.089 -179.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -72.37 -31.57 65.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.978 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 591' ' ' TYR . . . . . 0.443 ' HD1' ' HA ' ' D' ' 591' ' ' TYR . 1.8 m-30 -62.6 -43.95 97.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.517 -0.31 . . . . 10.0 110.878 179.485 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 4.1 m -66.86 -19.73 65.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.334 -0.394 . . . . 10.0 110.788 179.175 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -82.87 -43.88 16.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.128 179.111 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 594' ' ' LYS . . . . . 0.524 ' HE2' ' HB2' ' A' ' 388' ' ' SER . 12.0 mptt -73.73 -43.85 57.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.038 179.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 23.9 mt -89.81 49.35 1.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.395 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 . . . . . 0 C--N 1.32 -0.697 0 CA-C-N 116.053 -0.521 . . . . 10.0 111.07 -179.532 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . 0.454 ' N ' ' HB ' ' B' ' 50' ' ' THR . 19.7 m . . . . . 0 N--CA 1.451 -0.407 0 CA-C-O 120.942 0.401 . . . . 10.0 110.847 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.22 126.16 49.13 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.001 179.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -92.99 142.24 27.51 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.753 0.311 . . . . 10.0 110.387 -179.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -135.6 106.61 6.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.047 179.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.547 ' HA ' ' HB3' ' B' ' 54' ' ' ASP . 63.3 mttm -80.53 118.73 22.39 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.075 179.543 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.51 ' O ' ' HA ' ' B' ' 55' ' ' ILE . 3.6 mt -123.72 140.27 53.16 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.196 -0.456 . . . . 10.0 111.166 -178.502 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 21.5 t -119.8 138.04 51.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.147 -0.478 . . . . 10.0 110.422 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.61 HG12 ' HD2' ' B' ' 16' ' ' LYS . 6.1 t -102.09 105.71 18.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.409 -0.359 . . . . 10.0 110.091 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 18.2 m -105.66 150.75 8.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.302 -0.408 . . . . 10.0 111.375 -179.345 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 153.15 171.55 20.55 Favored Glycine 0 N--CA 1.446 -0.69 0 CA-C-N 115.563 -0.744 . . . . 10.0 111.41 -179.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.9 -178.01 4.68 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.115 0.483 . . . . 10.0 110.964 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -86.42 156.81 20.01 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.867 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 72.61 8.9 73.13 Favored Glycine 0 CA--C 1.517 0.187 0 CA-C-N 116.077 -0.51 . . . . 10.0 114.236 179.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.524 HG12 ' HB2' ' B' ' 83' ' ' ALA . 31.4 m -87.37 -28.97 5.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 117.288 0.544 . . . . 10.0 111.942 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.68 34.39 3.07 Favored Glycine 0 CA--C 1.518 0.224 0 C-N-CA 120.564 -0.827 . . . . 10.0 113.366 179.422 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . 0.61 ' HD2' HG12 ' B' ' 8' ' ' VAL . 42.2 mtmt -63.56 -44.35 94.38 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 122.765 -0.256 . . . . 10.0 111.624 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.1 -23.63 59.35 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.292 -0.413 . . . . 10.0 111.83 -178.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.03 -43.6 98.26 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 110.057 -0.349 . . . . 10.0 110.057 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 58.3 mt -65.64 -38.99 90.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.048 -0.524 . . . . 10.0 110.476 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.87 -46.71 67.73 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.742 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 71.6 mt -64.21 -37.8 80.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.81 179.06 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' GLN . . . . . 0.601 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 6.4 mm-40 -64.83 -32.49 74.21 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.152 0.501 . . . . 10.0 110.707 179.145 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 17.7 tp -83.77 -40.19 19.1 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.457 -0.338 . . . . 10.0 111.81 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.445 HG13 ' HB3' ' B' ' 40' ' ' TYR . 38.4 mm -83.12 -65.04 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 112.695 0.628 . . . . 10.0 112.695 -178.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -78.25 -19.81 52.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.443 -0.344 . . . . 10.0 111.613 -178.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . 0.601 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 2.7 t-20 71.01 38.06 1.16 Allowed 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 113.347 0.869 . . . . 10.0 113.347 178.436 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -155.93 177.31 11.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.529 -0.305 . . . . 10.0 110.947 178.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -120.81 130.17 53.87 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.078 0.466 . . . . 10.0 111.395 -179.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 17.4 m -92.14 150.58 3.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.857 -0.611 . . . . 10.0 110.138 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -101.67 -31.05 10.99 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.024 -0.534 . . . . 10.0 110.667 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -75.58 133.2 41.0 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.574 -0.739 . . . . 10.0 111.52 -179.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -76.11 130.59 38.54 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.163 -0.681 . . . . 10.0 109.163 178.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -134.41 109.72 11.37 Favored Pre-proline 0 C--N 1.321 -0.668 0 CA-C-O 120.838 0.351 . . . . 10.0 111.498 -179.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -64.33 99.58 0.3 Allowed 'Trans proline' 0 CA--C 1.53 0.309 0 C-N-CA 122.961 2.441 . . . . 10.0 111.599 179.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 3.1 m -71.35 115.14 10.17 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.165 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 44.2 mm -76.62 -51.44 19.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 108.521 -0.918 . . . . 10.0 108.521 178.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . 0.595 ' HG2' HD11 ' B' ' 56' ' ' LEU . 22.6 tt0 -179.77 103.85 0.03 OUTLIER 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 115.064 -0.971 . . . . 10.0 109.902 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -135.52 139.15 43.75 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.98 -0.288 . . . . 10.0 111.467 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 3.2 m -102.18 148.55 25.29 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.244 -0.435 . . . . 10.0 111.131 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' TYR . . . . . 0.445 ' HB3' HG13 ' B' ' 24' ' ' ILE . 78.3 m-85 -131.32 124.32 30.16 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.9 -0.591 . . . . 10.0 110.048 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.52 ' HD2' ' OD1' ' B' ' 54' ' ' ASP . 0.1 OUTLIER -114.87 117.94 32.1 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.126 -0.488 . . . . 10.0 111.897 -179.064 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 35.4 tttp -134.78 133.79 40.22 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.81 -0.632 . . . . 10.0 109.939 179.31 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -101.39 112.84 25.49 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.113 -0.494 . . . . 10.0 109.904 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 3.5 m -126.21 165.66 23.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.41 -0.359 . . . . 10.0 111.312 -179.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 14.6 t -102.92 84.86 0.89 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.346 0 CA-C-O 121.367 0.603 . . . . 10.0 110.49 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . 0.647 HD13 ' HA ' ' B' ' 157' ' ' TYR . 58.8 mt -89.86 121.81 40.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.611 -179.181 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . 0.941 ' HA ' ' HB2' ' C' ' 128' ' ' LYS . 63.8 m-20 64.23 13.92 8.27 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.574 -0.739 . . . . 10.0 111.624 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.3 7.82 58.0 Favored Glycine 0 N--CA 1.454 -0.164 0 C-N-CA 120.752 -0.737 . . . . 10.0 112.554 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -116.13 144.83 43.63 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.674 0.274 . . . . 10.0 110.384 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . 0.454 ' HB ' ' N ' ' B' ' 1' ' ' SER . 3.2 m -77.51 106.73 9.48 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.274 -0.639 . . . . 10.0 109.274 178.711 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' CYS . . . . . 0.464 ' SG ' ' HB ' ' B' ' 46' ' ' ILE . 15.9 m -109.64 125.58 52.74 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.892 0.377 . . . . 10.0 111.834 -178.521 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 52.2 tp -94.23 107.34 19.28 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.587 -0.894 . . . . 10.0 108.587 178.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . 0.496 ' O ' ' HA ' ' B' ' 41' ' ' ARG . 34.5 mt -82.06 115.59 21.27 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.944 -0.571 . . . . 10.0 112.414 -177.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . 0.547 ' HB3' ' HA ' ' B' ' 5' ' ' LYS . 12.4 t70 -105.52 79.67 1.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.193 -1.41 . . . . 10.0 107.193 177.633 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' ILE . . . . . 0.51 ' HA ' ' O ' ' B' ' 6' ' ' LEU . 39.0 mt -91.66 145.85 6.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.878 -0.601 . . . . 10.0 111.721 -177.767 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.595 HD11 ' HG2' ' B' ' 37' ' ' GLU . 23.1 tp -136.5 117.65 14.45 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.048 179.562 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -97.45 112.78 24.48 Favored 'General case' 0 C--O 1.233 0.223 0 N-CA-C 108.952 -0.758 . . . . 10.0 108.952 178.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . 0.56 HG23 ' HG3' ' B' ' 37' ' ' GLU . 0.2 OUTLIER -105.24 161.93 13.85 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.505 -0.316 . . . . 10.0 111.309 -179.537 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.5 129.53 41.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.134 -0.484 . . . . 10.0 111.752 -179.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -105.1 41.74 2.08 Favored Glycine 0 N--CA 1.447 -0.589 0 N-CA-C 111.161 -0.776 . . . . 10.0 111.161 179.083 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -107.54 18.67 21.21 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.639 0.257 . . . . 10.0 110.793 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 62.68 -160.66 0.3 Allowed 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.806 -0.634 . . . . 10.0 112.24 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 66.35 15.71 10.19 Favored 'General case' 0 C--O 1.225 -0.196 0 CA-C-N 115.853 -0.612 . . . . 10.0 111.239 -179.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 9.0 m-30 -118.38 75.42 1.01 Allowed 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.205 -0.665 . . . . 10.0 109.205 179.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 1.6 p -78.43 -67.26 0.76 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.362 -0.381 . . . . 10.0 111.092 -179.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.31 -29.85 42.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.945 -0.571 . . . . 10.0 111.408 -179.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 89.6 mtp -64.69 -31.51 72.76 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.909 0.385 . . . . 10.0 110.925 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 68' ' ' ARG . . . . . 0.549 ' HA ' ' CZ ' ' B' ' 71' ' ' TYR . 24.7 ttp180 -78.95 -25.96 43.57 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 121.175 0.512 . . . . 10.0 110.296 179.72 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.02 -8.05 41.31 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.907 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -86.1 -63.9 1.24 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.242 0.46 . . . . 10.0 112.242 -179.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 71' ' ' TYR . . . . . 0.549 ' CZ ' ' HA ' ' B' ' 68' ' ' ARG . 5.4 p90 -67.07 -16.65 64.47 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 113.126 0.787 . . . . 10.0 113.126 -179.189 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . 0.453 ' SD ' ' HG2' ' B' ' 99' ' ' GLN . 33.0 mtt -69.71 -19.35 63.56 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.294 0.569 . . . . 10.0 110.048 178.467 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 59.4 mtt180 -81.49 -48.75 11.44 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.594 -0.73 . . . . 10.0 109.536 178.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.99 -40.34 75.35 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.317 -0.856 . . . . 10.0 112.124 -179.397 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -58.36 121.08 24.99 Favored Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 116.046 -0.525 . . . . 10.0 112.751 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . 0.485 ' HG3' ' HB2' ' B' ' 5' ' ' LYS . 30.6 mt-10 -88.45 -40.34 13.55 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-O 120.635 0.255 . . . . 10.0 110.521 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -119.52 131.16 8.84 Favored Glycine 0 N--CA 1.446 -0.687 0 N-CA-C 111.374 -0.69 . . . . 10.0 111.374 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . 0.656 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 96.1 m-85 -111.05 129.48 55.9 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.069 0.462 . . . . 10.0 111.505 -179.4 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 57.0 tp -101.84 117.38 34.73 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.014 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 27.1 m -88.07 99.39 12.14 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.182 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 30.2 t -101.59 118.72 48.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.138 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 47.1 p90 -125.18 160.76 28.41 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.882 179.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.524 ' HB2' HG12 ' B' ' 14' ' ' VAL . . . -99.98 144.09 29.43 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.951 -0.568 . . . . 10.0 109.963 179.512 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . 0.408 HD12 ' HB3' ' B' ' 123' ' ' ARG . 28.7 pt -85.58 -10.86 11.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.809 0.338 . . . . 10.0 111.28 -179.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . 0.451 ' OD1' ' HB1' ' B' ' 83' ' ' ALA . 27.0 p-10 -99.6 -28.81 13.03 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.272 -0.422 . . . . 10.0 111.964 -179.651 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 35.7 t-20 -108.56 113.48 26.52 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.002 0.43 . . . . 10.0 111.12 -178.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.81 -26.51 64.28 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.867 -0.606 . . . . 10.0 111.929 -179.629 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -59.86 -43.15 94.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.656 0.265 . . . . 10.0 110.889 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.21 -26.8 66.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.132 -0.485 . . . . 10.0 111.434 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -75.61 -44.94 40.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.071 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -72.45 -22.14 61.13 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.381 -0.372 . . . . 10.0 111.351 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.24 -18.04 61.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 10.0 111.732 -179.459 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 45.4 mm -59.89 -37.2 70.92 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 N-CA-C 109.598 -0.519 . . . . 10.0 109.598 179.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -63.0 -46.89 85.51 Favored 'General case' 0 C--O 1.231 0.084 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.035 179.122 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 39.9 m-70 -62.5 -41.9 99.14 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.012 -0.54 . . . . 10.0 110.837 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -63.5 -47.58 81.15 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.32 178.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 97' ' ' ARG . . . . . 0.439 HH11 ' HD3' ' B' ' 97' ' ' ARG . 31.5 ttt-85 -59.53 -40.03 85.83 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 116.046 -0.525 . . . . 10.0 111.025 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -61.6 -44.97 96.01 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.408 -0.36 . . . . 10.0 111.314 179.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 99' ' ' GLN . . . . . 0.453 ' HG2' ' SD ' ' B' ' 72' ' ' MET . 63.5 tt0 -65.48 -44.05 88.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.535 -0.302 . . . . 10.0 110.721 179.668 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 96.6 mt -55.34 -49.01 76.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-O 121.164 0.507 . . . . 10.0 110.459 179.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 101' ' ' LYS . . . . . 0.418 ' HE2' ' HG2' ' B' ' 97' ' ' ARG . 7.8 mtmt -66.03 -24.44 66.75 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.657 -0.702 . . . . 10.0 111.934 -179.428 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 6.1 tmm_? -82.43 -41.81 19.37 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.676 -0.49 . . . . 10.0 109.676 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 103' ' ' VAL . . . . . 0.435 HG23 ' O ' ' B' ' 99' ' ' GLN . 71.2 t -64.65 -48.68 83.74 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 CA-C-N 115.818 -0.628 . . . . 10.0 111.282 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . 0.404 ' HD2' ' HE2' ' B' ' 78' ' ' PHE . 22.2 mtpp -83.19 -2.87 56.6 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.187 -0.461 . . . . 10.0 111.189 -179.397 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 11.9 t70 50.12 49.22 20.84 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 121.455 0.645 . . . . 10.0 111.378 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 2.5 t -166.7 144.81 5.18 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.657 -0.701 . . . . 10.0 109.636 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -86.65 -34.93 19.63 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.866 0.365 . . . . 10.0 110.79 -179.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.91 98.06 6.25 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.203 0.525 . . . . 10.0 110.674 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . 0.402 ' HA ' ' HD3' ' B' ' 110' ' ' PRO . 60.7 t -129.11 135.08 27.06 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 115.506 -0.77 . . . . 10.0 109.785 -179.659 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 110' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 27.5 Cg_exo -64.42 105.68 0.63 Allowed 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.588 2.192 . . . . 10.0 111.54 179.208 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 111' ' ' MET . . . . . 0.656 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 67.1 mtm -139.25 153.68 47.86 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.199 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 99.3 t -133.1 136.78 54.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.999 -0.371 . . . . 10.0 109.999 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 15.5 tp -93.05 113.86 26.24 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.406 -0.59 . . . . 10.0 109.406 179.621 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 51.4 t -120.07 122.94 69.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.068 0.461 . . . . 10.0 111.763 -178.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -107.64 116.57 4.92 Favored Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 110.315 -1.114 . . . . 10.0 110.315 178.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -94.69 167.0 11.73 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.923 0.361 . . . . 10.0 111.324 -179.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 51.1 mttt 67.88 29.69 6.52 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 123.61 0.764 . . . . 10.0 112.655 179.201 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 70.8 m -66.19 -11.72 51.51 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.62 0.6 . . . . 10.0 112.62 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -90.23 -10.25 45.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.882 0.372 . . . . 10.0 110.933 179.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 29.7 mt -80.36 138.53 51.89 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 116.459 -0.337 . . . . 10.0 110.626 179.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -74.69 150.95 40.55 Favored 'Trans proline' 0 C--O 1.238 0.491 0 C-N-CA 122.474 2.116 . . . . 10.0 112.534 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 2.5 m 62.52 81.69 0.19 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.66 -0.7 . . . . 10.0 112.187 179.297 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 123' ' ' ARG . . . . . 0.44 HH12 ' CD ' ' B' ' 143' ' ' GLU . 15.8 ptt180 -105.85 139.35 40.55 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 122.287 -0.258 . . . . 10.0 111.259 178.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 7.4 m -66.81 -63.41 1.07 Allowed 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.229 0.455 . . . . 10.0 112.229 -179.078 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 73.2 t -76.41 117.7 21.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.908 0.385 . . . . 10.0 110.711 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -76.91 151.16 35.88 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.682 -0.69 . . . . 10.0 109.288 179.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 1.7 m -53.01 -42.54 65.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.505 -0.316 . . . . 10.0 111.675 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 128' ' ' LYS . . . . . 0.761 ' HB3' ' HA ' ' C' ' 47' ' ' ASP . 1.3 mppt? -68.47 -23.28 64.56 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.856 0.36 . . . . 10.0 111.963 -179.393 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -76.24 -44.56 36.91 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.713 -0.476 . . . . 10.0 109.713 179.097 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -69.42 -44.13 71.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.691 -0.686 . . . . 10.0 110.844 179.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -63.03 -36.73 84.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.867 -0.606 . . . . 10.0 111.314 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -63.93 -36.05 82.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.181 0.515 . . . . 10.0 110.968 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 13.3 tp -78.99 -38.21 37.32 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.253 -0.431 . . . . 10.0 110.566 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.78 -44.39 96.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.994 -0.548 . . . . 10.0 111.139 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 135' ' ' ARG . . . . . 0.755 ' HB2' ' HD3' ' C' ' 165' ' ' LYS . 5.8 ppt_? -64.17 -23.68 67.41 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.373 -0.376 . . . . 10.0 111.951 -179.753 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.68 -27.71 50.89 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.097 0.475 . . . . 10.0 109.839 179.371 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 21.1 m-30 -83.48 -36.4 24.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.037 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 101.21 17.15 23.27 Favored Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 111.026 -0.829 . . . . 10.0 111.026 -178.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 47.1 pt -116.78 150.33 45.57 Favored Pre-proline 0 C--N 1.326 -0.443 0 N-CA-C 110.185 -0.302 . . . . 10.0 110.185 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -80.38 144.2 16.0 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 122.371 2.048 . . . . 10.0 113.187 -179.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -106.34 142.14 36.51 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.33 -0.85 . . . . 10.0 109.372 179.046 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 37.0 mt -130.17 132.18 65.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-O 120.977 0.418 . . . . 10.0 111.941 -179.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 143' ' ' GLU . . . . . 0.44 ' CD ' HH12 ' B' ' 123' ' ' ARG . 3.7 mm-40 -85.48 122.5 29.71 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 107.658 -1.238 . . . . 10.0 107.658 177.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 144' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' B' ' 150' ' ' GLN . 24.5 p -133.48 166.19 23.12 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.799 1.037 . . . . 10.0 113.799 -177.753 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 10.5 t -155.32 103.41 2.34 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.51 -1.223 . . . . 10.0 108.159 178.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -64.57 -23.76 67.37 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.318 0.58 . . . . 10.0 110.567 -179.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 44.4 tttt -67.67 -31.36 71.28 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.086 -0.961 . . . . 10.0 111.735 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 65.8 p -120.02 2.56 10.98 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.836 0.31 . . . . 10.0 111.836 -178.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 45.0 ttm-85 61.94 34.73 16.65 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 121.662 0.744 . . . . 10.0 110.925 -178.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 150' ' ' GLN . . . . . 0.406 ' O ' ' HA ' ' B' ' 144' ' ' THR . 58.1 tt0 -80.36 105.46 11.63 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.984 -179.542 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 66.74 5.79 33.04 Favored Glycine 0 CA--C 1.519 0.339 0 CA-C-N 115.855 -0.611 . . . . 10.0 114.476 177.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 62.6 t -58.74 -47.56 88.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 117.291 0.545 . . . . 10.0 111.05 -179.43 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -64.5 -44.37 91.17 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.824 -0.625 . . . . 10.0 111.2 -179.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -65.11 -26.97 68.43 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.026 0.441 . . . . 10.0 110.985 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -66.02 -40.14 90.81 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.435 -0.58 . . . . 10.0 109.435 178.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -71.07 -33.99 70.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.833 -0.621 . . . . 10.0 109.865 178.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 157' ' ' TYR . . . . . 0.647 ' HA ' HD13 ' B' ' 46' ' ' ILE . 4.2 m-30 -68.32 -44.92 74.29 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.75 -0.659 . . . . 10.0 109.945 179.313 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 50.5 m -61.92 -33.87 75.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.837 -0.62 . . . . 10.0 111.068 179.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 159' ' ' LEU . . . . . 0.401 ' HG ' HD22 ' B' ' 6' ' ' LEU . 14.3 tp -59.06 -43.93 91.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.105 0.479 . . . . 10.0 109.726 179.055 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 39.6 t -74.53 -35.92 39.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.765 -0.652 . . . . 10.0 110.132 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -56.72 -40.16 75.19 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.562 -0.745 . . . . 10.0 110.377 179.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -67.54 -30.41 70.05 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.778 -0.646 . . . . 10.0 111.778 179.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 65.2 mt -67.64 -43.76 86.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 110.077 -0.342 . . . . 10.0 110.077 179.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 22.7 mtt85 -64.64 -36.16 83.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 10.0 109.903 178.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 29.1 ttmt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 115.751 -0.659 . . . . 10.0 109.858 179.291 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 12.9 m . . . . . 0 C--O 1.233 0.203 0 CA-C-O 120.887 0.375 . . . . 10.0 111.031 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.22 134.98 46.98 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.191 -0.458 . . . . 10.0 110.057 179.654 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -100.63 138.64 37.41 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.899 -0.408 . . . . 10.0 109.899 179.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -129.09 118.14 22.0 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.197 -0.456 . . . . 10.0 109.83 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 5' ' ' LYS . . . . . 0.648 ' HB2' ' HG3' ' C' ' 76' ' ' GLU . 41.2 mttm -83.51 112.7 20.21 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 116.163 -0.471 . . . . 10.0 111.205 -179.693 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . 0.47 ' O ' ' HA ' ' C' ' 55' ' ' ILE . 14.2 mt -111.57 117.32 32.65 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.44 -0.8 . . . . 10.0 110.943 -178.729 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 49.7 t -106.23 120.27 56.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.365 -0.38 . . . . 10.0 110.112 179.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.554 HG12 ' HD2' ' C' ' 16' ' ' LYS . 3.1 t -88.42 116.45 30.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.356 -0.384 . . . . 10.0 110.078 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 19.9 m -118.96 162.34 17.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.006 0.432 . . . . 10.0 112.03 -179.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 152.1 -161.61 29.43 Favored Glycine 0 N--CA 1.447 -0.598 0 N-CA-C 110.598 -1.001 . . . . 10.0 110.598 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -90.77 -165.68 1.41 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.694 0.247 . . . . 10.0 110.352 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.57 144.97 25.58 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.989 0.423 . . . . 10.0 110.849 179.714 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 69.72 18.2 73.82 Favored Glycine 0 N--CA 1.451 -0.357 0 CA-C-N 115.898 -0.592 . . . . 10.0 113.598 178.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 14' ' ' VAL . . . . . 0.411 ' CG2' ' HG3' ' C' ' 16' ' ' LYS . 17.1 m -82.88 -22.63 8.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 120.991 0.424 . . . . 10.0 111.186 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 108.9 21.83 7.25 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.682 -0.771 . . . . 10.0 113.532 179.079 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . 0.554 ' HD2' HG12 ' C' ' 8' ' ' VAL . 2.0 mtmp? -61.48 -33.63 74.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.06 0.457 . . . . 10.0 110.917 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 1.9 m -79.78 -47.36 15.34 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.977 -0.556 . . . . 10.0 109.952 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.05 -47.53 80.73 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.002 -0.545 . . . . 10.0 111.523 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 37.4 mt -59.42 -51.33 70.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.391 -0.368 . . . . 10.0 111.314 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 4.4 m -65.05 -41.51 95.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.421 -0.354 . . . . 10.0 111.894 -179.21 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 79.0 mt -64.07 -30.71 50.79 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 CA-C-O 120.665 0.269 . . . . 10.0 110.564 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 22' ' ' GLN . . . . . 0.659 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 6.3 mm-40 -67.02 -19.74 65.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.626 179.208 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . 0.491 HD22 ' CD2' ' C' ' 156' ' ' PHE . 11.9 tp -97.39 -35.73 10.59 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.244 0.545 . . . . 10.0 111.092 179.131 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 48.0 mm -79.34 -63.03 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.687 -0.688 . . . . 10.0 111.537 -179.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 25' ' ' GLN . . . . . 0.49 ' HB3' ' HD2' ' C' ' 27' ' ' HIS . 74.5 mt-30 -90.8 -8.86 48.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.098 0.475 . . . . 10.0 111.575 -179.457 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 26' ' ' ASN . . . . . 0.659 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 68.7 m-80 62.11 31.64 17.71 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 114.103 1.149 . . . . 10.0 114.103 178.236 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 27' ' ' HIS . . . . . 0.49 ' HD2' ' HB3' ' C' ' 25' ' ' GLN . 10.3 p80 -143.18 159.58 42.04 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 121.118 -0.233 . . . . 10.0 110.519 178.485 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -98.41 128.68 44.9 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 112.091 0.404 . . . . 10.0 112.091 -178.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 4.1 m -97.29 129.99 46.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.536 -0.756 . . . . 10.0 109.745 178.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -93.35 -22.94 18.65 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.808 0.337 . . . . 10.0 111.837 -179.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -83.34 138.96 33.31 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.094 0.473 . . . . 10.0 111.088 -179.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -86.45 115.75 24.16 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.678 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -118.94 105.79 44.63 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 116.486 -0.325 . . . . 10.0 110.294 179.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -51.56 112.23 0.77 Allowed 'Trans proline' 0 C--O 1.234 0.292 0 C-N-CA 123.162 2.575 . . . . 10.0 111.911 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 35' ' ' THR . . . . . 0.55 ' CG2' ' HB2' ' C' ' 38' ' ' ASP . 11.2 m -81.48 112.92 19.17 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.519 -0.764 . . . . 10.0 111.093 -179.411 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 36.1 mm -85.0 -42.92 16.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.828 -0.624 . . . . 10.0 109.602 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -175.23 86.4 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.265 -0.88 . . . . 10.0 109.014 179.467 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 38' ' ' ASP . . . . . 0.55 ' HB2' ' CG2' ' C' ' 35' ' ' THR . 0.2 OUTLIER -102.12 134.91 44.62 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.838 -0.619 . . . . 10.0 111.202 -178.633 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 1.5 m -117.3 136.14 53.32 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.364 -0.38 . . . . 10.0 110.809 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -131.37 134.93 46.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.633 -0.258 . . . . 10.0 111.035 -179.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -125.75 127.87 46.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.47 -0.332 . . . . 10.0 111.188 179.281 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 40.7 tttp -145.69 157.64 43.93 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.523 -0.547 . . . . 10.0 109.523 -179.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -124.96 123.03 39.02 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.856 -0.424 . . . . 10.0 109.856 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 3.7 m -133.46 171.63 17.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.841 0.353 . . . . 10.0 111.906 -179.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 33.1 t -108.67 85.64 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.054 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 53.4 mt -88.62 111.53 22.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.971 -179.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 47' ' ' ASP . . . . . 0.761 ' HA ' ' HB3' ' B' ' 128' ' ' LYS . 3.5 m-20 63.28 19.41 11.66 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 115.631 -0.713 . . . . 10.0 111.648 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.3 -16.21 55.52 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.827 -0.701 . . . . 10.0 111.817 -179.499 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -88.31 122.96 32.42 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.004 0.431 . . . . 10.0 111.214 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 3.0 m -77.65 113.58 15.64 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 107.783 -1.192 . . . . 10.0 107.783 178.108 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -126.61 152.23 46.94 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 113.342 0.867 . . . . 10.0 113.342 -177.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 52.9 tp -102.77 118.17 36.25 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 114.763 -1.108 . . . . 10.0 108.5 178.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 46.7 mt -87.17 116.04 24.98 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.039 -0.528 . . . . 10.0 112.104 -178.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . 0.556 ' HB3' ' HA ' ' C' ' 5' ' ' LYS . 32.0 t70 -100.75 80.43 2.17 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 107.81 -1.182 . . . . 10.0 107.81 178.627 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 55' ' ' ILE . . . . . 0.47 ' HA ' ' O ' ' C' ' 6' ' ' LEU . 22.3 mt -90.46 141.71 13.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.872 -0.604 . . . . 10.0 112.17 -177.43 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 16.1 tp -136.51 119.27 16.15 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 115.606 -0.725 . . . . 10.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -99.03 116.72 31.9 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.498 -0.927 . . . . 10.0 108.498 178.143 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 58' ' ' THR . . . . . 0.518 HG21 ' CE1' ' C' ' 71' ' ' TYR . 0.8 OUTLIER -105.58 171.34 7.38 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.363 -0.381 . . . . 10.0 111.778 -179.571 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.59 128.56 35.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.037 -0.528 . . . . 10.0 111.344 -179.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -105.81 25.3 24.53 Favored Glycine 0 N--CA 1.449 -0.475 0 CA-C-N 115.706 -0.679 . . . . 10.0 112.117 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -93.86 19.25 9.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.661 0.267 . . . . 10.0 111.302 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 59.05 -157.19 0.33 Allowed 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 115.864 -0.607 . . . . 10.0 112.098 179.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 73.86 -50.85 0.69 Allowed 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 123.369 0.668 . . . . 10.0 112.785 179.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 64' ' ' TYR . . . . . 0.642 ' HB3' ' HB3' ' C' ' 67' ' ' MET . 51.0 m-85 -70.21 96.07 1.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.132 0.419 . . . . 10.0 112.132 -179.469 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.5 -55.82 3.5 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.768 -0.651 . . . . 10.0 110.898 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.21 -38.34 90.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.461 -179.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 67' ' ' MET . . . . . 0.642 ' HB3' ' HB3' ' C' ' 64' ' ' TYR . 28.4 ttm -62.72 -41.8 99.34 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.636 179.398 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 68' ' ' ARG . . . . . 0.599 ' HA ' ' CE1' ' C' ' 71' ' ' TYR . 5.6 ttp180 -65.18 -41.13 94.9 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.826 -0.624 . . . . 10.0 109.857 179.721 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -61.97 -34.67 76.56 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.027 -0.988 . . . . 10.0 111.534 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -65.18 -60.24 3.23 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 113.212 0.819 . . . . 10.0 113.212 -178.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 71' ' ' TYR . . . . . 0.599 ' CE1' ' HA ' ' C' ' 68' ' ' ARG . 31.1 p90 -68.34 -15.46 63.57 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 113.956 1.095 . . . . 10.0 113.956 -177.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 72' ' ' MET . . . . . 0.456 ' HE3' ' HG2' ' C' ' 68' ' ' ARG . 40.2 mtt -67.97 -22.26 65.04 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.169 0.509 . . . . 10.0 111.039 179.728 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 23.2 mtt180 -81.12 -30.68 34.5 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.013 0.435 . . . . 10.0 110.414 179.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 10.6 m -81.12 -48.81 11.64 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.62 -0.718 . . . . 10.0 111.448 -179.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.32 135.06 50.15 Favored Glycine 0 C--N 1.33 0.247 0 CA-C-N 115.827 -0.624 . . . . 10.0 113.109 -179.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . 0.648 ' HG3' ' HB2' ' C' ' 5' ' ' LYS . 4.6 mt-10 -101.47 -42.24 6.33 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.669 -0.493 . . . . 10.0 109.669 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 77' ' ' GLY . . . . . 0.528 ' HA3' HD11 ' C' ' 163' ' ' ILE . . . -112.28 128.62 8.61 Favored Glycine 0 N--CA 1.445 -0.753 0 N-CA-C 110.581 -1.007 . . . . 10.0 110.581 179.094 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 78' ' ' PHE . . . . . 0.762 ' HB2' ' HG2' ' C' ' 111' ' ' MET . 98.1 m-85 -111.87 117.7 33.49 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.345 0.593 . . . . 10.0 111.969 -178.632 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 79' ' ' LEU . . . . . 0.534 HD13 HD22 ' C' ' 159' ' ' LEU . 14.6 tp -91.74 104.76 17.18 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.591 -0.732 . . . . 10.0 109.434 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 80' ' ' CYS . . . . . 0.619 ' HB3' HD12 ' C' ' 93' ' ' ILE . 23.5 m -85.12 94.95 8.98 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.703 -0.48 . . . . 10.0 109.703 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 81' ' ' VAL . . . . . 0.438 HG22 ' HB ' ' C' ' 114' ' ' VAL . 58.7 t -102.39 131.38 50.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.021 -0.536 . . . . 10.0 111.285 -178.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 82' ' ' PHE . . . . . 0.462 ' HE2' ' HG ' ' C' ' 113' ' ' LEU . 47.7 p90 -134.7 175.28 9.69 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.767 -0.651 . . . . 10.0 109.855 179.255 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -115.12 128.45 56.22 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.636 -0.505 . . . . 10.0 109.636 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 84' ' ' ILE . . . . . 0.505 HD11 ' HA ' ' C' ' 118' ' ' CYS . 37.1 pt -70.97 -8.5 11.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 112.995 0.739 . . . . 10.0 112.995 -178.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 26.4 p-10 -96.29 2.7 53.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.653 0.263 . . . . 10.0 111.095 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -146.33 106.08 3.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.931 0.396 . . . . 10.0 110.916 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 1.3 m -59.58 -29.28 67.84 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.915 -0.584 . . . . 10.0 112.027 -178.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -56.99 -36.14 70.02 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.405 -0.361 . . . . 10.0 111.161 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 87.7 p -69.87 -33.57 72.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.866 0.365 . . . . 10.0 111.2 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 90' ' ' PHE . . . . . 0.405 ' CZ ' ' HA ' ' C' ' 130' ' ' ALA . 18.5 t80 -74.42 -37.68 63.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.601 179.646 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -67.18 -36.41 81.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.275 -0.421 . . . . 10.0 110.242 179.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.93 -30.51 70.25 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.691 -0.686 . . . . 10.0 111.197 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 93' ' ' ILE . . . . . 0.619 HD12 ' HB3' ' C' ' 80' ' ' CYS . 50.6 mm -59.5 -39.5 79.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.747 179.737 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -61.87 -32.75 73.14 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.507 -179.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 33.5 m-70 -77.32 -44.92 27.84 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.685 -0.688 . . . . 10.0 110.122 179.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 96' ' ' TYR . . . . . 0.514 ' HE1' ' HD2' ' C' ' 68' ' ' ARG . 28.1 m-85 -58.04 -44.74 87.57 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.888 -0.596 . . . . 10.0 111.405 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -57.19 -47.4 81.35 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.819 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -68.56 -34.17 75.35 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.433 -0.349 . . . . 10.0 111.353 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -67.2 -46.55 73.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.554 -0.294 . . . . 10.0 110.416 179.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 83.3 mt -59.23 -46.5 92.18 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 CA-C-O 120.974 0.416 . . . . 10.0 110.71 179.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 32.3 mtmt -60.66 -31.9 71.11 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.382 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 -73.96 -47.62 36.21 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.867 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 47.1 t -67.67 -40.7 84.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 112.165 0.432 . . . . 10.0 112.165 -178.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 21.4 mtpp -82.99 -16.69 46.21 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 111.831 0.308 . . . . 10.0 111.831 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 13.6 t0 57.42 53.45 7.5 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.422 0.629 . . . . 10.0 110.465 -179.232 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 29.4 m -154.02 153.86 32.69 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.978 -0.555 . . . . 10.0 110.527 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -96.8 -26.72 15.02 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.407 0.622 . . . . 10.0 109.675 179.153 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -99.73 96.79 7.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.609 -0.723 . . . . 10.0 110.387 -179.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 24.1 t -123.28 128.96 25.09 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 116.156 -0.475 . . . . 10.0 109.97 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_exo -65.48 99.83 0.38 Allowed 'Trans proline' 0 C--O 1.233 0.26 0 C-N-CA 122.595 2.197 . . . . 10.0 111.557 179.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 111' ' ' MET . . . . . 0.762 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 60.8 mtm -133.66 151.03 51.57 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.52 -179.558 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 85.1 t -133.76 134.22 56.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.655 -0.498 . . . . 10.0 109.655 179.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 113' ' ' LEU . . . . . 0.462 ' HG ' ' HE2' ' C' ' 82' ' ' PHE . 14.3 tp -90.11 114.89 26.9 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.971 -0.752 . . . . 10.0 108.971 179.748 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 114' ' ' VAL . . . . . 0.438 ' HB ' HG22 ' C' ' 81' ' ' VAL . 79.5 t -119.79 123.08 70.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 121.07 0.462 . . . . 10.0 111.595 -178.566 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -102.99 111.17 3.9 Favored Glycine 0 N--CA 1.448 -0.56 0 N-CA-C 110.697 -0.961 . . . . 10.0 110.697 179.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -88.46 168.13 12.87 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.494 0.147 . . . . 10.0 111.367 -178.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 117' ' ' LYS . . . . . 0.493 ' HB3' HD12 ' C' ' 120' ' ' LEU . 85.2 mttt 61.3 37.92 16.78 Favored 'General case' 0 N--CA 1.462 0.144 0 O-C-N 123.658 0.599 . . . . 10.0 112.132 179.112 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 118' ' ' CYS . . . . . 0.505 ' HA ' HD11 ' C' ' 84' ' ' ILE . 65.6 m -73.51 -5.21 38.68 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.871 0.367 . . . . 10.0 111.799 179.602 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -91.03 -11.78 37.77 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.429 179.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 120' ' ' LEU . . . . . 0.493 HD12 ' HB3' ' C' ' 117' ' ' LYS . 17.3 mt -80.9 136.8 50.54 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.9 179.545 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -74.59 169.79 21.76 Favored 'Trans proline' 0 C--O 1.238 0.48 0 C-N-CA 122.877 2.385 . . . . 10.0 112.354 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 4.3 m 57.64 59.23 3.33 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.502 -0.772 . . . . 10.0 111.486 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 123' ' ' ARG . . . . . 0.451 HH11 ' HD3' ' C' ' 123' ' ' ARG . 0.3 OUTLIER -75.73 120.45 21.13 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.397 0.618 . . . . 10.0 111.138 179.669 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -73.84 -39.89 63.69 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.751 -0.659 . . . . 10.0 110.293 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 49.4 t -97.08 120.2 46.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.467 179.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 126' ' ' ASP . . . . . 0.41 ' O ' ' HG2' ' C' ' 129' ' ' GLN . 73.9 m-20 -81.9 159.03 23.75 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.022 179.433 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 127' ' ' THR . . . . . 0.567 HG23 ' HE2' ' C' ' 141' ' ' PHE . 3.6 m -67.44 -41.26 85.03 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.26 -0.427 . . . . 10.0 111.159 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 128' ' ' LYS . . . . . 0.941 ' HB2' ' HA ' ' B' ' 47' ' ' ASP . 17.8 pttp -55.53 -46.49 77.04 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.791 -0.641 . . . . 10.0 112.478 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 129' ' ' GLN . . . . . 0.41 ' HG2' ' O ' ' C' ' 126' ' ' ASP . 16.8 pt20 -69.29 -32.44 71.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.696 0.284 . . . . 10.0 111.067 -179.581 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 130' ' ' ALA . . . . . 0.405 ' HA ' ' CZ ' ' C' ' 90' ' ' PHE . . . -70.59 -42.64 70.77 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.103 -0.702 . . . . 10.0 109.103 179.174 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -71.35 -25.47 62.4 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.548 -0.751 . . . . 10.0 110.145 179.31 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -66.44 -45.83 78.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.471 0.653 . . . . 10.0 109.545 178.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 39.4 tp -69.63 -37.36 76.79 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.703 -0.681 . . . . 10.0 109.942 179.082 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.32 -33.95 76.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.598 -0.728 . . . . 10.0 109.999 179.012 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 20.2 ttm105 -65.54 -33.46 75.97 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.0 -0.546 . . . . 10.0 110.156 179.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 47.1 m -76.91 -32.25 57.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.742 178.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 11.2 m-30 -79.6 -30.75 41.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.011 -0.54 . . . . 10.0 111.933 -179.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 85.54 23.7 45.96 Favored Glycine 0 N--CA 1.447 -0.6 0 N-CA-C 110.449 -1.061 . . . . 10.0 110.449 -179.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 43.3 pt -117.63 154.54 50.84 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 115.367 -0.416 . . . . 10.0 110.462 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_endo -78.82 153.7 26.01 Favored 'Trans proline' 0 C--O 1.236 0.425 0 C-N-CA 122.455 2.103 . . . . 10.0 112.141 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 141' ' ' PHE . . . . . 0.567 ' HE2' HG23 ' C' ' 127' ' ' THR . 83.9 t80 -121.27 137.11 54.83 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.518 -0.765 . . . . 10.0 109.649 179.429 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 40.8 mt -133.51 133.62 57.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.959 0.409 . . . . 10.0 111.111 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -90.72 118.15 29.92 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 108.099 -1.074 . . . . 10.0 108.099 178.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 40.8 p -126.02 173.62 9.04 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.761 0.791 . . . . 10.0 113.004 -178.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 8.6 t -157.16 115.32 3.2 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.256 -1.338 . . . . 10.0 108.107 179.006 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -70.99 -28.78 64.68 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.827 0.346 . . . . 10.0 110.621 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 52.7 mttt -63.66 -45.75 88.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.93 -0.577 . . . . 10.0 111.658 179.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 16.1 p -95.77 -7.82 36.1 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.76 0.314 . . . . 10.0 111.523 -179.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 149' ' ' ARG . . . . . 0.44 ' HG3' ' HB3' ' C' ' 22' ' ' GLN . 21.5 ttt-85 61.21 31.13 19.55 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.771 -0.65 . . . . 10.0 112.231 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -96.24 126.33 41.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.477 -0.328 . . . . 10.0 110.7 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 85.59 -9.53 67.69 Favored Glycine 0 C--O 1.23 -0.153 0 CA-C-N 115.91 -0.586 . . . . 10.0 112.834 179.194 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 59.8 t -60.22 -42.56 90.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 111.848 0.314 . . . . 10.0 111.848 -179.148 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -65.06 -51.82 59.26 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.941 0.401 . . . . 10.0 111.407 -179.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 154' ' ' ASP . . . . . 0.592 ' HA ' ' HB2' ' C' ' 157' ' ' TYR . 7.4 t70 -65.18 -28.4 69.37 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.962 0.727 . . . . 10.0 112.962 -178.538 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -55.86 -45.37 78.48 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.973 0.416 . . . . 10.0 109.967 179.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 156' ' ' PHE . . . . . 0.491 ' CD2' HD22 ' C' ' 23' ' ' LEU . 77.1 m-85 -76.45 -39.9 52.08 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.157 179.118 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 157' ' ' TYR . . . . . 0.592 ' HB2' ' HA ' ' C' ' 154' ' ' ASP . 4.2 m-85 -56.66 -52.87 63.26 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.967 -0.561 . . . . 10.0 110.669 179.521 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 158' ' ' THR . . . . . 0.647 ' HA ' ' HE ' ' C' ' 161' ' ' ARG . 31.6 m -63.93 -35.74 81.65 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.828 -0.624 . . . . 10.0 111.76 -179.752 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 159' ' ' LEU . . . . . 0.534 HD22 HD13 ' C' ' 79' ' ' LEU . 53.0 tp -61.11 -42.01 97.74 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.435 -0.58 . . . . 10.0 109.435 178.372 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 54.9 t -67.49 -36.77 77.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.432 -0.804 . . . . 10.0 109.963 178.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 161' ' ' ARG . . . . . 0.647 ' HE ' ' HA ' ' C' ' 158' ' ' THR . 0.1 OUTLIER -60.56 -41.86 95.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.301 179.134 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -60.77 -42.53 97.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.163 179.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 163' ' ' ILE . . . . . 0.528 HD11 ' HA3' ' C' ' 77' ' ' GLY . 60.0 mt -63.43 -49.79 81.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.474 179.318 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 22.0 ttm180 -60.63 -42.79 97.58 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.572 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 165' ' ' LYS . . . . . 0.755 ' HD3' ' HB2' ' B' ' 135' ' ' ARG . 43.2 mtmt -63.68 -41.73 98.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.455 -0.338 . . . . 10.0 110.464 179.113 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 25.3 t-80 -61.07 -45.6 94.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.728 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 97.4 mttt . . . . . 0 C--N 1.33 -0.28 0 CA-C-O 120.802 0.334 . . . . 10.0 111.887 -179.953 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 66.1 mt . . . . . 0 C--O 1.234 0.284 0 CA-C-O 121.156 0.503 . . . . 10.0 110.435 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? -60.68 -44.25 96.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.579 -0.737 . . . . 10.0 111.142 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 97.3 mt -66.92 -36.87 83.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.282 -0.417 . . . . 10.0 111.243 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 95.6 mt -69.62 -45.33 68.77 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.336 -0.393 . . . . 10.0 111.154 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -66.8 -44.0 82.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.395 -0.366 . . . . 10.0 111.277 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 206' ' ' ASN . . . . . 0.405 ' O ' HG23 ' A' ' 210' ' ' VAL . 1.0 OUTLIER -64.49 -34.51 78.37 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.998 0.428 . . . . 10.0 110.498 -179.883 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 68.9 t90 -71.13 -32.88 69.54 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.807 -0.633 . . . . 10.0 109.93 178.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -59.28 -44.41 92.48 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.418 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 17.1 m -65.11 -34.72 79.07 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.061 -0.518 . . . . 10.0 111.043 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 210' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 206' ' ' ASN . 61.6 t -70.88 -38.57 73.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 109.643 -0.503 . . . . 10.0 109.643 179.077 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 27.9 m -61.06 -43.7 98.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.748 -0.66 . . . . 10.0 111.203 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.8 -29.01 68.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.37 0.605 . . . . 10.0 110.104 179.163 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 51.1 m -67.14 -41.04 86.74 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.87 -0.789 . . . . 10.0 108.87 178.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -62.95 -38.59 91.67 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.697 -0.683 . . . . 10.0 110.591 178.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 1.4 m -60.55 -51.42 69.5 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.123 -0.49 . . . . 10.0 109.95 179.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 39.0 mmtt -62.57 -38.94 92.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.468 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 217' ' ' LEU . . . . . 0.493 HD22 H222 ' A' ' 405' ' ' PCW . 57.1 mt -62.07 -45.92 91.39 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.11 -0.496 . . . . 10.0 110.235 179.098 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 218' ' ' ARG . . . . . 0.406 ' HA ' HD12 ' A' ' 221' ' ' LEU . 61.0 mtt180 -67.85 -36.82 81.0 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.31 -0.404 . . . . 10.0 110.611 179.359 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -66.18 -30.85 71.4 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.145 179.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -87.35 -26.08 23.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.15 179.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 221' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 218' ' ' ARG . 13.0 mt -60.51 -38.94 85.99 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.951 179.029 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -51.79 -62.7 5.36 Favored Glycine 0 CA--C 1.52 0.345 0 O-C-N 123.697 0.623 . . . . 10.0 111.831 179.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -56.3 -36.77 97.36 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 122.354 2.036 . . . . 10.0 110.797 177.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 14.9 t -58.73 -53.09 52.08 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.17 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.93 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . 0.47 ' O ' ' HB2' ' A' ' 229' ' ' TRP . 0.7 OUTLIER -62.29 -37.34 85.13 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.777 0.322 . . . . 10.0 110.591 179.394 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -62.49 -54.68 36.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.581 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -62.79 -48.39 79.34 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.633 -0.712 . . . . 10.0 111.474 -179.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -58.7 -47.74 83.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.336 -0.393 . . . . 10.0 111.953 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 229' ' ' TRP . . . . . 0.47 ' HB2' ' O ' ' A' ' 225' ' ' THR . 1.1 m-90 -68.07 -35.94 79.02 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.781 -0.19 . . . . 10.0 111.273 179.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -59.75 -45.89 90.82 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.301 -0.629 . . . . 10.0 109.301 178.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 231' ' ' ASN . . . . . 0.564 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 81.1 m-20 -73.34 -36.54 66.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.787 -0.642 . . . . 10.0 110.362 179.352 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 232' ' ' LEU . . . . . 0.448 ' HB2' ' HA ' ' A' ' 229' ' ' TRP . 17.2 mt -61.55 -39.2 90.25 Favored 'General case' 0 CA--C 1.515 -0.379 0 N-CA-C 109.719 -0.474 . . . . 10.0 109.719 179.217 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -64.49 -31.17 72.26 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-N 115.542 -0.754 . . . . 10.0 110.122 178.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 234' ' ' LYS . . . . . 0.564 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 71.1 mttt -73.94 -36.63 64.67 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.074 -0.713 . . . . 10.0 109.074 178.561 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.11 -48.82 74.64 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 108.665 -0.865 . . . . 10.0 108.665 178.04 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -67.95 -35.48 78.47 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.545 -0.752 . . . . 10.0 109.928 179.246 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 237' ' ' GLU . . . . . 0.459 ' HA ' ' HD2' ' A' ' 240' ' ' ARG . 43.2 tt0 -58.72 -44.37 90.41 Favored 'General case' 0 CA--C 1.521 -0.16 0 N-CA-C 108.916 -0.772 . . . . 10.0 108.916 177.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -62.28 -44.6 97.45 Favored Glycine 0 N--CA 1.443 -0.89 0 N-CA-C 110.363 -1.095 . . . . 10.0 110.363 178.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 239' ' ' LEU . . . . . 0.409 ' HA ' ' HB2' ' A' ' 242' ' ' GLU . 93.5 mt -66.1 -30.28 70.76 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.824 0.345 . . . . 10.0 110.552 179.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 240' ' ' ARG . . . . . 0.459 ' HD2' ' HA ' ' A' ' 237' ' ' GLU . 62.0 mtt180 -69.04 -40.06 78.82 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.378 -0.601 . . . . 10.0 109.378 178.469 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 241' ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' A' ' 237' ' ' GLU . 74.5 mt-30 -73.52 -38.48 65.3 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.492 -0.929 . . . . 10.0 108.492 178.507 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 242' ' ' GLU . . . . . 0.409 ' HB2' ' HA ' ' A' ' 239' ' ' LEU . 11.2 mt-10 -66.44 -28.63 68.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.169 -0.923 . . . . 10.0 110.561 178.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 243' ' ' MET . . . . . 0.671 ' HG3' HD12 ' A' ' 247' ' ' LEU . 45.5 ttm -57.02 -32.66 66.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.487 -0.324 . . . . 10.0 110.617 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 244' ' ' SER . . . . . 0.578 ' HA ' ' HG3' ' A' ' 248' ' ' GLU . 3.5 m -70.01 1.21 4.81 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.805 179.253 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 245' ' ' LYS . . . . . 0.825 ' HA ' ' HG3' ' A' ' 249' ' ' GLU . 35.0 mttm -131.62 -59.61 0.95 Allowed 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.142 -0.481 . . . . 10.0 109.941 178.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 246' ' ' ASP . . . . . 0.632 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 1.6 t0 -55.1 -37.3 66.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.675 -0.693 . . . . 10.0 112.741 -178.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 247' ' ' LEU . . . . . 0.671 HD12 ' HG3' ' A' ' 243' ' ' MET . 40.0 mt -109.02 -26.09 10.36 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.194 0.442 . . . . 10.0 112.194 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 248' ' ' GLU . . . . . 0.578 ' HG3' ' HA ' ' A' ' 244' ' ' SER . 21.4 mm-40 -82.32 -49.21 10.29 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.068 0.395 . . . . 10.0 112.068 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 249' ' ' GLU . . . . . 0.825 ' HG3' ' HA ' ' A' ' 245' ' ' LYS . 64.2 mt-10 -66.9 -33.44 75.6 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.999 0.428 . . . . 10.0 109.878 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 250' ' ' VAL . . . . . 0.656 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 2.5 p -66.47 -34.89 73.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.749 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 68.1 mttt -79.78 -19.81 47.73 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.32 0.581 . . . . 10.0 110.781 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 252' ' ' ALA . . . . . 0.5 ' HA ' ' NE2' ' A' ' 255' ' ' GLN . . . -84.94 -43.73 13.77 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.084 -0.71 . . . . 10.0 109.084 178.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 46.3 mttt -76.16 -24.88 54.84 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.529 -0.76 . . . . 10.0 111.071 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 254' ' ' VAL . . . . . 0.656 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 1.2 p -61.42 -24.53 33.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.611 0.243 . . . . 10.0 111.177 179.625 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 255' ' ' GLN . . . . . 0.586 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 38.1 mt-30 -60.06 -65.07 2.32 Favored Pre-proline 0 CA--C 1.535 0.402 0 CA-C-N 116.362 -0.381 . . . . 10.0 110.413 179.429 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 256' ' ' PRO . . . . . 0.586 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 36.7 Cg_endo -66.6 -30.15 43.02 Favored 'Trans proline' 0 C--N 1.355 0.916 0 C-N-CA 121.453 1.436 . . . . 10.0 111.55 178.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 5.4 m-30 -62.93 -52.88 61.32 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.897 0.379 . . . . 10.0 110.245 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 258' ' ' LEU . . . . . 0.509 ' HG ' HG22 ' A' ' 254' ' ' VAL . 21.1 mt -71.65 -39.21 70.5 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 116.15 -0.477 . . . . 10.0 111.25 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -61.09 -37.93 84.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.755 0.312 . . . . 10.0 110.798 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -67.69 -52.05 42.36 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 116.208 -0.451 . . . . 10.0 109.935 178.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 261' ' ' PHE . . . . . 0.524 ' O ' ' HB2' ' A' ' 265' ' ' TRP . 4.3 m-85 -61.94 -42.23 98.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.813 -0.63 . . . . 10.0 111.341 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -65.36 -39.2 92.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.398 -0.364 . . . . 10.0 110.773 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 263' ' ' LYS . . . . . 0.501 ' O ' ' HG3' ' A' ' 267' ' ' GLU . 2.4 ttmp? -64.29 -52.09 60.3 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.501 -0.555 . . . . 10.0 109.501 179.265 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 264' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -63.67 -35.06 79.3 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.676 -0.693 . . . . 10.0 110.51 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 265' ' ' TRP . . . . . 0.524 ' HB2' ' O ' ' A' ' 261' ' ' PHE . 0.3 OUTLIER -65.27 -37.16 86.33 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 115.927 -0.579 . . . . 10.0 110.306 179.2 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 266' ' ' GLN . . . . . 0.441 ' O ' ' HG3' ' A' ' 270' ' ' GLU . 58.5 mt-30 -62.76 -44.95 94.85 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.87 -0.789 . . . . 10.0 108.87 178.577 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 267' ' ' GLU . . . . . 0.501 ' HG3' ' O ' ' A' ' 263' ' ' LYS . 16.6 mt-10 -64.76 -42.21 95.31 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 108.592 -0.892 . . . . 10.0 108.592 178.23 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 268' ' ' GLU . . . . . 0.42 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 9.8 mt-10 -54.23 -45.09 72.22 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.712 -0.676 . . . . 10.0 110.724 179.214 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 90.2 mmm -74.45 -41.66 60.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.824 -0.626 . . . . 10.0 111.067 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 270' ' ' GLU . . . . . 0.441 ' HG3' ' O ' ' A' ' 266' ' ' GLN . 28.1 mt-10 -60.49 -39.47 87.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.951 0.405 . . . . 10.0 109.988 179.358 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 71.1 mt -65.96 -42.82 89.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.739 -0.664 . . . . 10.0 109.306 178.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 272' ' ' TYR . . . . . 0.436 ' HD1' ' HA ' ' A' ' 272' ' ' TYR . 1.4 m-30 -64.95 -32.19 73.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 10.0 110.674 178.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 273' ' ' ARG . . . . . 0.413 ' O ' HG12 ' A' ' 276' ' ' VAL . 88.2 mtt180 -74.39 -35.2 63.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.562 0.696 . . . . 10.0 109.602 178.202 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.59 -22.18 63.53 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.147 -0.933 . . . . 10.0 110.099 179.181 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 275' ' ' LYS . . . . . 0.624 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 11.8 mptt -99.11 -34.66 10.3 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.912 -0.585 . . . . 10.0 111.034 179.138 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 276' ' ' VAL . . . . . 0.413 HG12 ' O ' ' A' ' 273' ' ' ARG . 3.0 p -55.74 -37.66 47.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 112.697 0.628 . . . . 10.0 112.697 -178.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 277' ' ' GLU . . . . . 0.409 ' HB2' ' CD ' ' A' ' 278' ' ' PRO . 17.4 mt-10 -66.1 -60.74 6.48 Favored Pre-proline 0 CA--C 1.535 0.395 0 N-CA-C 112.096 0.406 . . . . 10.0 112.096 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 278' ' ' PRO . . . . . 0.455 ' O ' ' HG3' ' A' ' 282' ' ' GLU . 19.1 Cg_endo -59.98 -39.5 70.29 Favored 'Trans proline' 0 C--N 1.355 0.899 0 C-N-CA 121.988 1.792 . . . . 10.0 111.656 179.158 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 279' ' ' LEU . . . . . 0.713 HD22 ' HE3' ' D' ' 495' ' ' LYS . 24.3 mt -66.3 -40.34 89.93 Favored 'General case' 0 CA--C 1.521 -0.172 0 CA-C-N 116.746 -0.206 . . . . 10.0 110.677 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -65.13 -39.03 92.48 Favored 'General case' 0 CA--C 1.518 -0.254 0 N-CA-C 109.517 -0.549 . . . . 10.0 109.517 178.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -64.22 -43.66 94.3 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.517 -0.549 . . . . 10.0 109.517 178.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 282' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' A' ' 278' ' ' PRO . 50.5 mt-10 -61.62 -44.31 97.23 Favored 'General case' 0 C--O 1.231 0.108 0 N-CA-C 109.385 -0.598 . . . . 10.0 109.385 178.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 75.4 mt -63.26 -45.04 93.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.454 -0.793 . . . . 10.0 110.367 179.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -61.54 -55.16 34.03 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.12 -0.491 . . . . 10.0 111.11 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -61.91 -39.72 92.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.39 -0.368 . . . . 10.0 110.818 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -65.29 -47.37 80.8 Favored Glycine 0 N--CA 1.448 -0.545 0 N-CA-C 111.263 -0.735 . . . . 10.0 111.263 178.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -62.2 -36.01 80.62 Favored 'General case' 0 CA--C 1.519 -0.231 0 N-CA-C 110.067 -0.346 . . . . 10.0 110.067 179.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 288' ' ' ARG . . . . . 0.453 ' O ' ' HB2' ' A' ' 292' ' ' HIS . 90.7 mtt180 -56.53 -52.27 65.41 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.084 -0.507 . . . . 10.0 109.752 178.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -67.7 -46.71 71.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.829 -0.623 . . . . 10.0 111.159 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 290' ' ' LYS . . . . . 0.452 ' O ' ' HG ' ' A' ' 294' ' ' LEU . 69.7 mttt -59.99 -43.26 95.27 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.114 0.413 . . . . 10.0 112.114 -179.424 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 50.0 mt -75.66 -38.41 58.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.649 -0.251 . . . . 10.0 111.38 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 292' ' ' HIS . . . . . 0.458 ' O ' ' HG2' ' A' ' 296' ' ' GLU . 33.0 t-80 -61.46 -42.13 98.29 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.847 -0.427 . . . . 10.0 109.847 179.441 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -61.95 -40.3 95.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.718 -0.674 . . . . 10.0 109.298 178.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 294' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 290' ' ' LYS . 48.7 mt -63.87 -36.69 84.74 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.753 -0.658 . . . . 10.0 110.304 179.074 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -64.25 -40.2 95.52 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.113 0.482 . . . . 10.0 110.256 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 296' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 292' ' ' HIS . 5.1 mm-40 -66.33 -13.79 61.07 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.789 -0.641 . . . . 10.0 110.36 179.11 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . 0.401 ' HB3' HD12 ' A' ' 301' ' ' LEU . 25.5 mmtp -118.32 13.36 13.63 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.521 0.677 . . . . 10.0 109.833 178.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 298' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 294' ' ' LEU . 0.5 OUTLIER -115.47 -40.67 3.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.547 -0.751 . . . . 10.0 110.549 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 299' ' ' SER . . . . . 0.503 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 0.7 OUTLIER -72.95 -62.34 1.32 Allowed Pre-proline 0 C--N 1.322 -0.587 0 N-CA-C 112.112 0.412 . . . . 10.0 112.112 179.883 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 300' ' ' PRO . . . . . 0.503 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 34.9 Cg_endo -66.15 -46.93 3.87 Favored 'Trans proline' 0 C--N 1.356 0.969 0 C-N-CA 121.609 1.539 . . . . 10.0 112.119 -179.28 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 301' ' ' LEU . . . . . 0.789 HD13 ' HG3' ' D' ' 473' ' ' LYS . 67.3 mt -69.0 -23.1 64.06 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.049 179.477 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -75.65 -46.14 15.49 Favored Glycine 0 C--O 1.225 -0.428 0 N-CA-C 109.668 -1.373 . . . . 10.0 109.668 178.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -62.59 -39.32 93.35 Favored 'General case' 0 CA--C 1.517 -0.312 0 N-CA-C 109.336 -0.616 . . . . 10.0 109.336 177.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -63.58 -44.21 94.73 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.434 -0.803 . . . . 10.0 109.445 178.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 6.5 tpt -63.82 -39.98 95.53 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.572 -0.529 . . . . 10.0 109.572 178.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 59.1 mtt180 -66.0 -38.04 87.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.002 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 307' ' ' ASP . . . . . 0.665 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 0.3 OUTLIER -66.07 -43.26 87.9 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.84 -0.618 . . . . 10.0 109.659 179.199 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 20.0 mmt180 -68.98 -31.18 69.85 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.928 -0.578 . . . . 10.0 109.807 178.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 309' ' ' ALA . . . . . 0.579 ' HA ' ' HB2' ' A' ' 312' ' ' HIS . . . -66.88 -32.81 74.31 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.791 -0.641 . . . . 10.0 109.378 178.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 310' ' ' ARG . . . . . 0.665 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 74.5 mtt180 -59.09 -48.06 82.99 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 109.012 -0.736 . . . . 10.0 109.012 178.497 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -70.49 -35.27 73.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.826 -0.625 . . . . 10.0 109.77 178.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 312' ' ' HIS . . . . . 0.579 ' HB2' ' HA ' ' A' ' 309' ' ' ALA . 0.3 OUTLIER -53.57 -49.68 67.2 Favored 'General case' 0 N--CA 1.462 0.139 0 N-CA-C 109.26 -0.645 . . . . 10.0 109.26 178.467 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 313' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 309' ' ' ALA . 24.1 t -79.35 -38.44 19.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.408 -0.815 . . . . 10.0 111.115 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -59.56 -45.93 90.37 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 120.814 0.34 . . . . 10.0 111.705 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -64.46 -39.23 93.41 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.24 -0.652 . . . . 10.0 109.24 178.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 19.8 mt -64.69 -46.46 82.32 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-N 115.767 -0.651 . . . . 10.0 109.873 179.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 12.0 mtm105 -62.04 -43.13 99.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.1 0.476 . . . . 10.0 110.445 179.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 93.5 m -62.9 -28.6 70.16 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.556 -0.747 . . . . 10.0 110.445 179.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 319' ' ' HIS . . . . . 0.526 ' CE1' ' HB2' ' D' ' 458' ' ' ASP . 0.1 OUTLIER -88.28 -36.38 16.73 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.861 -0.608 . . . . 10.0 110.792 179.267 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . 0.504 ' HA ' ' HB2' ' A' ' 323' ' ' TYR . 78.1 mt -72.67 -26.65 61.7 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.907 0.336 . . . . 10.0 111.907 -179.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 321' ' ' ALA . . . . . 0.413 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -55.57 -58.9 13.05 Favored Pre-proline 0 CA--C 1.534 0.363 0 C-N-CA 121.236 -0.186 . . . . 10.0 111.464 178.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . 0.413 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 38.6 Cg_endo -70.1 -28.63 23.39 Favored 'Trans proline' 0 C--N 1.357 0.999 0 C-N-CA 121.577 1.518 . . . . 10.0 111.14 178.351 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 323' ' ' TYR . . . . . 0.504 ' HB2' ' HA ' ' A' ' 320' ' ' LEU . 8.9 m-30 -64.97 -51.94 59.0 Favored 'General case' 0 C--O 1.227 -0.125 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.816 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 324' ' ' SER . . . . . 0.419 ' HA ' ' HB2' ' A' ' 327' ' ' LEU . 22.6 p -63.85 -36.54 84.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.536 -0.302 . . . . 10.0 110.552 179.522 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -59.45 -52.7 64.48 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.514 -0.55 . . . . 10.0 109.514 178.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -70.38 -24.56 62.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.612 -0.722 . . . . 10.0 111.024 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . 0.419 ' HB2' ' HA ' ' A' ' 324' ' ' SER . 13.3 mt -66.65 -39.08 88.08 Favored 'General case' 0 N--CA 1.462 0.125 0 N-CA-C 108.906 -0.775 . . . . 10.0 108.906 178.18 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 53.8 mtt180 -67.88 -35.85 79.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.67 -0.695 . . . . 10.0 109.156 178.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -68.92 -41.8 77.66 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.361 -0.836 . . . . 10.0 109.002 178.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 330' ' ' ARG . . . . . 0.743 HH21 ' HB2' ' D' ' 447' ' ' GLU . 27.1 mtt180 -61.79 -46.48 89.37 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 115.677 -0.692 . . . . 10.0 109.264 177.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 7.2 mt -58.9 -46.12 88.62 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 115.352 -0.84 . . . . 10.0 110.01 179.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -60.18 -46.35 90.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.427 -0.351 . . . . 10.0 110.391 179.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -61.25 -45.61 93.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.883 -0.599 . . . . 10.0 110.837 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 334' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 334' ' ' ARG . 33.3 mtt-85 -67.41 -45.72 75.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.027 -0.533 . . . . 10.0 111.063 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 46.1 mt -60.62 -42.29 96.56 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 116.58 -0.282 . . . . 10.0 110.523 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -62.39 -45.67 92.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.156 179.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -63.44 -48.66 76.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.091 -0.504 . . . . 10.0 109.738 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 80.8 mt -64.27 -22.39 66.93 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.744 -0.662 . . . . 10.0 111.045 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -82.76 -43.93 16.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.637 -0.256 . . . . 10.0 110.341 178.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 73.9 mt-10 -62.79 -56.6 15.98 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.5 -0.926 . . . . 10.0 108.5 177.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -62.92 -39.58 94.98 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 114.756 -1.111 . . . . 10.0 109.686 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 342' ' ' GLY . . . . . 0.509 ' O ' ' HG ' ' A' ' 346' ' ' LEU . . . -60.45 -44.03 98.11 Favored Glycine 0 N--CA 1.449 -0.499 0 CA-C-N 115.631 -0.713 . . . . 10.0 111.954 179.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -61.15 -41.6 99.52 Favored Glycine 0 N--CA 1.449 -0.461 0 N-CA-C 110.969 -0.852 . . . . 10.0 110.969 178.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -65.01 -44.91 87.64 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.712 -0.477 . . . . 10.0 109.712 178.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 345' ' ' ARG . . . . . 0.441 ' HG2' ' OD1' ' D' ' 429' ' ' ASN . 30.9 mtm180 -59.79 -43.21 94.54 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.422 179.114 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 346' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 342' ' ' GLY . 48.0 mt -63.31 -47.3 82.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.906 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.63 -44.87 95.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.957 0.408 . . . . 10.0 110.435 179.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 348' ' ' GLU . . . . . 0.584 ' OE2' ' HB2' ' D' ' 429' ' ' ASN . 12.5 tt0 -66.42 -43.15 86.51 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.71 -0.677 . . . . 10.0 110.557 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 349' ' ' TYR . . . . . 0.715 ' HE1' ' H19' ' A' ' 401' ' ' PCW . 2.3 t80 -66.8 -34.84 78.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.582 -0.281 . . . . 10.0 110.729 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 3.8 m170 -64.5 -45.44 87.29 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.921 -0.77 . . . . 10.0 108.921 178.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -63.61 -41.84 98.27 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.272 -0.64 . . . . 10.0 109.272 178.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 10.8 ttmm -59.23 -48.41 81.73 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.53 -0.759 . . . . 10.0 110.067 178.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -62.76 -36.98 84.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.339 179.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 33.4 m -63.1 -46.17 88.62 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.244 -0.435 . . . . 10.0 109.857 179.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -67.15 -41.82 85.41 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.13 -0.486 . . . . 10.0 109.852 178.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -59.38 -38.55 80.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.9 -0.591 . . . . 10.0 110.557 178.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 30.8 mt -63.64 -37.57 87.82 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.437 -0.347 . . . . 10.0 111.183 179.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 19.7 m -62.98 -46.27 88.47 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.731 -0.47 . . . . 10.0 109.731 179.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -73.78 -29.41 62.18 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.849 179.037 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 20.3 tp -66.27 -34.63 78.43 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.952 -0.759 . . . . 10.0 108.952 178.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 50.9 m -63.08 -26.56 68.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.438 -0.801 . . . . 10.0 110.283 178.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -66.33 -28.15 68.45 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.311 -0.625 . . . . 10.0 109.311 178.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 363' ' ' LYS . . . . . 0.83 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 37.4 mtmt -91.84 -21.91 20.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.527 -0.76 . . . . 10.0 110.145 179.392 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 364' ' ' ALA . . . . . 0.462 ' HA ' HD12 ' A' ' 368' ' ' LEU . . . -87.76 -30.54 20.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.048 -0.524 . . . . 10.0 112.41 -178.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 365' ' ' LYS . . . . . 0.663 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 64.8 mttt -109.87 -72.62 0.02 OUTLIER Pre-proline 0 C--N 1.327 -0.407 0 N-CA-C 113.319 0.859 . . . . 10.0 113.319 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 366' ' ' PRO . . . . . 0.663 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 38.3 Cg_exo -58.79 -56.65 1.33 Allowed 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 122.145 1.897 . . . . 10.0 113.052 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 367' ' ' ALA . . . . . 0.83 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -60.99 -45.78 93.42 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 111.618 0.229 . . . . 10.0 111.618 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 368' ' ' LEU . . . . . 0.462 HD12 ' HA ' ' A' ' 364' ' ' ALA . 5.5 mt -63.48 -40.88 98.26 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 121.014 -0.274 . . . . 10.0 110.871 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -62.15 -44.26 97.01 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.785 -0.82 . . . . 10.0 108.785 178.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -60.72 -44.27 96.82 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.258 -0.883 . . . . 10.0 110.29 179.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 371' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 367' ' ' ALA . 94.7 mt -63.89 -44.4 93.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.753 -0.658 . . . . 10.0 110.559 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 372' ' ' ARG . . . . . 0.587 ' O ' ' HG ' ' A' ' 376' ' ' LEU . 60.8 mtt180 -60.13 -45.35 93.33 Favored 'General case' 0 CA--C 1.519 -0.227 0 N-CA-C 109.672 -0.492 . . . . 10.0 109.672 179.259 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -61.74 -36.72 81.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.795 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -76.71 -28.11 59.77 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.931 -0.652 . . . . 10.0 112.285 179.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 51.6 mt -79.6 -23.62 42.56 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 111.801 0.297 . . . . 10.0 111.801 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 376' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' A' ' 372' ' ' ARG . 75.7 mt -56.04 -57.77 20.21 Favored Pre-proline 0 CA--C 1.535 0.393 0 N-CA-C 111.973 0.36 . . . . 10.0 111.973 179.489 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -66.48 -27.18 46.83 Favored 'Trans proline' 0 C--N 1.357 0.994 0 C-N-CA 121.825 1.683 . . . . 10.0 110.53 178.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 20.3 t -63.95 -46.72 93.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 109.094 -0.706 . . . . 10.0 109.094 178.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 68.9 mt -64.94 -37.11 86.57 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 109.289 -0.634 . . . . 10.0 109.289 178.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -58.55 -50.16 74.79 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.693 -0.685 . . . . 10.0 110.615 179.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 2.1 p -69.41 -41.18 76.73 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.094 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -60.26 -37.35 80.16 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 116.303 -0.408 . . . . 10.0 110.669 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 78.3 mttt -59.87 -44.55 94.11 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 109.663 -0.495 . . . . 10.0 109.663 178.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 41.4 t -64.3 -43.44 97.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.002 179.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 37.2 m -63.15 -42.59 99.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.866 -0.606 . . . . 10.0 111.373 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -66.94 -42.82 84.66 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.519 -0.31 . . . . 10.0 110.492 179.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 76.6 mt -62.89 -48.02 80.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.981 -0.554 . . . . 10.0 111.253 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 388' ' ' SER . . . . . 0.433 ' HB2' ' HE2' ' D' ' 594' ' ' LYS . 8.8 p -65.22 -36.3 83.71 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.485 -0.325 . . . . 10.0 110.786 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -64.6 -42.35 95.63 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 116.299 -0.41 . . . . 10.0 110.216 179.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 45.9 mt -60.3 -41.93 94.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.656 -0.702 . . . . 10.0 109.766 179.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -69.27 -43.18 74.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.857 -0.61 . . . . 10.0 110.152 178.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -56.69 -47.05 80.76 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.359 -0.382 . . . . 10.0 111.163 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -64.1 -43.17 96.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.739 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 22.9 m -66.71 -41.53 87.82 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.384 -0.371 . . . . 10.0 111.643 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -63.62 -36.24 83.18 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 113.377 0.881 . . . . 10.0 113.377 -178.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 396' ' ' LYS . . . . . 0.418 ' HG2' ' HB2' ' D' ' 587' ' ' ALA . 0.7 OUTLIER -99.66 -29.51 12.62 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 114.351 1.241 . . . . 10.0 114.351 -177.853 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 84.2 mt -89.39 -17.19 29.29 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.683 0.623 . . . . 10.0 112.683 -178.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 50.1 t30 . . . . . 0 C--N 1.324 -0.542 0 C-N-CA 120.989 -0.284 . . . . 10.0 111.129 -179.503 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 3.2 mm? . . . . . 0 C--O 1.234 0.288 0 CA-C-O 121.137 0.494 . . . . 10.0 110.453 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 400' ' ' LYS . . . . . 0.435 ' HE2' ' HB2' ' D' ' 400' ' ' LYS . 4.1 mppt? -106.51 31.55 5.13 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.664 -0.698 . . . . 10.0 109.879 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 72.1 mt -59.4 -44.29 92.83 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.837 -0.62 . . . . 10.0 111.201 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 97.4 mt -60.66 -35.68 76.84 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.551 -0.295 . . . . 10.0 111.184 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -73.86 -37.79 64.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.232 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -72.12 -41.09 67.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.156 -0.474 . . . . 10.0 110.804 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 15.7 m95 -66.14 -26.66 67.54 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.57 179.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -64.25 -46.15 85.02 Favored 'General case' 0 CA--C 1.515 -0.379 0 N-CA-C 109.863 -0.421 . . . . 10.0 109.863 179.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.94 -42.01 79.27 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.2 -0.455 . . . . 10.0 109.816 178.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 18.3 t -67.4 -37.16 78.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.261 0.553 . . . . 10.0 110.759 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 33.5 m -67.51 -34.77 77.8 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.307 0.575 . . . . 10.0 109.533 178.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 13.0 m -67.81 -46.65 71.3 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.626 -0.715 . . . . 10.0 109.961 178.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 3.0 p -64.3 -37.32 87.09 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-O 120.802 0.334 . . . . 10.0 110.468 178.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 412' ' ' PHE . . . . . 0.413 ' HD1' ' HA ' ' D' ' 412' ' ' PHE . 3.0 m-30 -62.52 -40.98 98.5 Favored 'General case' 0 C--O 1.231 0.12 0 N-CA-C 108.97 -0.752 . . . . 10.0 108.97 177.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 413' ' ' SER . . . . . 0.605 ' HA ' ' HD2' ' D' ' 416' ' ' ARG . 63.9 m -66.67 -35.89 81.22 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.865 -0.607 . . . . 10.0 109.389 178.363 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 36.6 mmtt -63.12 -35.67 81.03 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.736 -0.666 . . . . 10.0 109.801 177.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 96.0 mt -67.16 -38.08 84.86 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.096 -0.705 . . . . 10.0 109.096 178.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 416' ' ' ARG . . . . . 0.605 ' HD2' ' HA ' ' D' ' 413' ' ' SER . 95.9 mtt180 -66.05 -37.55 86.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.63 -0.714 . . . . 10.0 109.719 178.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 69.0 mt-10 -61.19 -32.78 72.53 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.045 178.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -82.21 -45.9 14.45 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.56 -0.746 . . . . 10.0 110.038 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 41.2 mt -47.46 -42.09 21.88 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 115.789 -0.641 . . . . 10.0 112.656 -179.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -52.0 -73.71 0.36 Allowed Glycine 0 CA--C 1.522 0.524 0 C-N-CA 121.268 -0.491 . . . . 10.0 112.235 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -60.77 -35.4 89.1 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.428 2.086 . . . . 10.0 112.148 178.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 3.1 t -58.91 -45.75 91.67 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 O-C-N 123.178 0.299 . . . . 10.0 111.424 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 18.3 p -69.9 -33.11 71.76 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.975 0.417 . . . . 10.0 110.317 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -63.99 -50.12 69.78 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.766 -0.652 . . . . 10.0 109.995 178.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -71.54 -30.58 66.06 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.246 -0.434 . . . . 10.0 110.453 178.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -62.64 -44.59 95.89 Favored 'General case' 0 C--O 1.224 -0.279 0 N-CA-C 109.042 -0.725 . . . . 10.0 109.042 178.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 1.6 m0 -64.96 -38.28 90.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.634 -0.712 . . . . 10.0 110.311 178.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 428' ' ' ASP . . . . . 0.403 ' O ' ' HG3' ' D' ' 432' ' ' LYS . 3.1 t70 -65.83 -41.32 91.92 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.136 -0.691 . . . . 10.0 109.136 179.06 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 429' ' ' ASN . . . . . 0.584 ' HB2' ' OE2' ' A' ' 348' ' ' GLU . 16.1 t30 -66.67 -42.82 85.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.364 -0.835 . . . . 10.0 109.868 178.505 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 70.6 mt -58.61 -43.41 89.6 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.16 179.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -65.44 -36.57 84.32 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.36 178.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 432' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' D' ' 428' ' ' ASP . 41.6 mttp -64.76 -48.25 75.22 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.37 -0.604 . . . . 10.0 109.37 178.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -64.54 -47.69 77.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.831 -0.622 . . . . 10.0 111.573 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 434' ' ' THR . . . . . 0.526 ' O ' ' HB2' ' D' ' 438' ' ' ARG . 19.8 p -61.89 -38.8 89.69 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.767 0.284 . . . . 10.0 111.767 -179.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -72.77 -37.77 67.54 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.925 -0.398 . . . . 10.0 109.925 178.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 436' ' ' GLY . . . . . 0.467 ' O ' ' HG2' ' D' ' 439' ' ' GLN . . . -63.31 -49.75 68.17 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 110.318 -1.113 . . . . 10.0 110.318 178.277 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 437' ' ' LEU . . . . . 0.441 HD23 ' OE1' ' D' ' 440' ' ' GLU . 39.2 mt -67.58 -26.09 66.1 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 109.917 -0.401 . . . . 10.0 109.917 178.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 438' ' ' ARG . . . . . 0.526 ' HB2' ' O ' ' D' ' 434' ' ' THR . 25.0 ttm180 -63.25 -48.46 78.14 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.797 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 439' ' ' GLN . . . . . 0.467 ' HG2' ' O ' ' D' ' 436' ' ' GLY . 16.1 pt20 -64.86 -33.3 75.68 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 121.075 0.464 . . . . 10.0 110.011 179.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 440' ' ' GLU . . . . . 0.441 ' OE1' HD23 ' D' ' 437' ' ' LEU . 59.3 mt-10 -72.28 -38.26 68.85 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 109.17 -0.678 . . . . 10.0 109.17 179.238 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 58.9 mmm -66.87 -42.02 86.32 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 115.543 -0.753 . . . . 10.0 112.163 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.84 -48.17 80.2 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.832 -0.433 . . . . 10.0 109.832 179.263 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -63.42 -39.86 95.62 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.792 -0.64 . . . . 10.0 109.854 179.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 444' ' ' ASP . . . . . 0.419 ' HB2' ' O ' ' D' ' 440' ' ' GLU . 5.5 t70 -65.19 -54.79 24.26 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 115.837 -0.62 . . . . 10.0 110.828 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 73.3 mt -59.51 -46.56 88.48 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.164 0.431 . . . . 10.0 112.164 -179.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -60.49 -48.06 83.42 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.42 -0.354 . . . . 10.0 110.947 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 447' ' ' GLU . . . . . 0.743 ' HB2' HH21 ' A' ' 330' ' ' ARG . 63.8 mt-10 -67.65 -32.45 73.15 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.815 179.294 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 2.1 t -58.44 -38.87 72.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.777 0.323 . . . . 10.0 110.266 179.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 85.1 mttt -65.26 -31.1 72.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.026 0.441 . . . . 10.0 109.971 179.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -97.05 10.56 38.94 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.89 -0.595 . . . . 10.0 111.397 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 451' ' ' LYS . . . . . 0.472 ' HB3' H271 ' D' ' 601' ' ' PCW . 59.2 mttm -124.86 -45.67 1.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.328 -0.397 . . . . 10.0 111.274 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 73.7 t -70.42 -42.97 78.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.463 -0.335 . . . . 10.0 110.99 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -57.31 -57.17 26.83 Favored Pre-proline 0 CA--C 1.536 0.431 0 N-CA-C 112.01 0.374 . . . . 10.0 112.01 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -63.43 -27.48 70.76 Favored 'Trans proline' 0 C--N 1.356 0.954 0 C-N-CA 122.107 1.872 . . . . 10.0 111.482 178.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 455' ' ' TYR . . . . . 0.437 ' HB2' ' O ' ' D' ' 451' ' ' LYS . 9.9 t80 -71.76 -39.77 69.76 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.196 -0.668 . . . . 10.0 109.196 178.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 21.8 mt -66.59 -38.63 87.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.676 -0.693 . . . . 10.0 109.154 178.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -65.26 -45.73 83.38 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.75 -0.659 . . . . 10.0 109.344 178.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 458' ' ' ASP . . . . . 0.526 ' HB2' ' CE1' ' A' ' 319' ' ' HIS . 11.9 t70 -60.29 -44.45 95.38 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.373 -0.83 . . . . 10.0 109.533 178.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -66.77 -43.46 83.97 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.438 -0.801 . . . . 10.0 110.536 179.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -58.18 -41.31 83.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.739 0.304 . . . . 10.0 110.624 179.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 461' ' ' LYS . . . . . 0.42 ' O ' ' HG3' ' D' ' 465' ' ' GLU . 67.5 mttt -64.28 -42.72 96.29 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.772 -0.455 . . . . 10.0 109.772 178.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 462' ' ' LYS . . . . . 0.455 ' HB3' H281 ' D' ' 602' ' ' PCW . 0.4 OUTLIER -67.42 -39.09 85.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.3 178.901 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 38.9 m0 -65.42 -40.71 93.67 Favored 'General case' 0 CA--C 1.517 -0.323 0 N-CA-C 109.428 -0.582 . . . . 10.0 109.428 178.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -60.03 -50.38 73.96 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 109.18 -0.674 . . . . 10.0 109.18 178.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 465' ' ' GLU . . . . . 0.464 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 42.6 mt-10 -61.89 -45.47 93.61 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 116.154 -0.476 . . . . 10.0 109.917 179.13 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 22.7 tp10 -56.33 -51.23 69.02 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.661 -0.7 . . . . 10.0 110.321 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 73.7 mtm -65.75 -41.46 92.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.881 -0.6 . . . . 10.0 111.118 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -59.6 -48.16 82.76 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.187 -0.671 . . . . 10.0 109.187 178.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 469' ' ' LEU . . . . . 0.556 ' O ' ' HB2' ' D' ' 473' ' ' LYS . 91.3 mt -61.56 -31.18 71.21 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.559 -0.746 . . . . 10.0 110.551 179.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 16.5 m-30 -71.35 -36.06 71.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.157 0.504 . . . . 10.0 110.048 178.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 74.6 mtt85 -76.4 -17.57 59.29 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.416 0.627 . . . . 10.0 109.637 178.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -101.04 1.49 39.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.434 -0.803 . . . . 10.0 110.647 178.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 473' ' ' LYS . . . . . 0.789 ' HG3' HD13 ' A' ' 301' ' ' LEU . 0.1 OUTLIER -134.26 -71.06 0.5 Allowed 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.043 179.59 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 51.1 t -54.66 -44.53 70.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.054 -0.521 . . . . 10.0 111.675 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 475' ' ' GLU . . . . . 0.48 ' O ' ' HB2' ' D' ' 478' ' ' ARG . 25.5 mt-10 -62.4 -59.0 14.11 Favored Pre-proline 0 CA--C 1.535 0.4 0 N-CA-C 113.036 0.754 . . . . 10.0 113.036 179.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -63.59 -36.08 55.44 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 121.539 1.493 . . . . 10.0 111.397 178.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 477' ' ' LEU . . . . . 0.497 ' HB2' ' O ' ' D' ' 473' ' ' LYS . 11.3 mt -67.24 -24.22 65.79 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 116.544 -0.298 . . . . 10.0 110.374 179.015 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 478' ' ' ARG . . . . . 0.614 ' O ' ' HB2' ' D' ' 482' ' ' GLN . 22.8 mtt180 -63.07 -34.37 77.44 Favored 'General case' 0 C--O 1.224 -0.289 0 N-CA-C 108.583 -0.895 . . . . 10.0 108.583 178.281 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -74.91 -43.6 53.38 Favored 'General case' 0 N--CA 1.456 -0.175 0 N-CA-C 109.361 -0.607 . . . . 10.0 109.361 179.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.25 -41.9 98.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.329 0.585 . . . . 10.0 110.255 178.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 80.9 mt -71.96 -37.31 69.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.781 -0.645 . . . . 10.0 109.878 179.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 482' ' ' GLN . . . . . 0.614 ' HB2' ' O ' ' D' ' 478' ' ' ARG . 13.8 tt0 -66.02 -41.27 91.18 Favored 'General case' 0 C--O 1.225 -0.218 0 N-CA-C 109.562 -0.532 . . . . 10.0 109.562 179.055 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 483' ' ' GLU . . . . . 0.408 ' OE2' ' HD2' ' D' ' 486' ' ' ARG . 2.7 tp10 -65.39 -41.84 93.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.251 0.548 . . . . 10.0 109.574 179.051 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -65.25 -36.61 93.01 Favored Glycine 0 N--CA 1.444 -0.816 0 N-CA-C 109.958 -1.257 . . . . 10.0 109.958 178.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -69.04 -40.06 78.82 Favored 'General case' 0 C--O 1.224 -0.276 0 N-CA-C 109.873 -0.417 . . . . 10.0 109.873 178.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 486' ' ' ARG . . . . . 0.408 ' HD2' ' OE2' ' D' ' 483' ' ' GLU . 59.1 mtt180 -62.71 -45.8 91.07 Favored 'General case' 0 CA--C 1.516 -0.354 0 N-CA-C 109.553 -0.536 . . . . 10.0 109.553 179.022 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -63.16 -41.07 99.2 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 115.952 -0.567 . . . . 10.0 109.594 178.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 488' ' ' LYS . . . . . 0.509 ' O ' ' HG ' ' D' ' 492' ' ' LEU . 82.5 tttt -63.01 -43.06 99.8 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 115.389 -0.823 . . . . 10.0 109.573 178.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 489' ' ' LEU . . . . . 0.417 ' O ' ' HG3' ' D' ' 493' ' ' GLN . 71.0 mt -64.07 -42.67 96.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.914 -0.585 . . . . 10.0 110.049 178.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -62.49 -45.01 94.97 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.257 -0.646 . . . . 10.0 109.257 178.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -59.57 -41.0 89.2 Favored 'General case' 0 CA--C 1.518 -0.254 0 N-CA-C 109.155 -0.683 . . . . 10.0 109.155 178.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 492' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' D' ' 488' ' ' LYS . 93.0 mt -66.31 -38.48 87.83 Favored 'General case' 0 C--O 1.221 -0.402 0 CA-C-N 115.542 -0.754 . . . . 10.0 110.185 178.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 493' ' ' GLN . . . . . 0.417 ' HG3' ' O ' ' D' ' 489' ' ' LEU . 94.0 mt-30 -61.64 -42.9 99.55 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.338 0.59 . . . . 10.0 110.112 179.205 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -72.17 0.89 8.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.539 -0.755 . . . . 10.0 111.334 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 495' ' ' LYS . . . . . 0.713 ' HE3' HD22 ' A' ' 279' ' ' LEU . 43.2 mttp -116.84 -45.94 2.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.156 -0.474 . . . . 10.0 110.09 179.385 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 95.6 mt -67.46 -13.71 62.27 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.073 -0.512 . . . . 10.0 112.328 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 497' ' ' SER . . . . . 0.457 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 14.3 m -87.5 -61.98 0.23 Allowed Pre-proline 0 C--N 1.326 -0.442 0 C-N-CA 120.806 -0.358 . . . . 10.0 111.015 179.053 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 498' ' ' PRO . . . . . 0.457 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 24.3 Cg_endo -63.71 -48.82 4.94 Favored 'Trans proline' 0 C--N 1.356 0.923 0 C-N-CA 121.73 1.62 . . . . 10.0 110.66 179.217 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 499' ' ' LEU . . . . . 0.457 ' HB2' ' O ' ' D' ' 495' ' ' LYS . 98.3 mt -70.1 -27.84 64.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.423 -0.353 . . . . 10.0 110.209 179.332 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -67.23 -48.88 56.46 Favored Glycine 0 N--CA 1.45 -0.369 0 N-CA-C 110.607 -0.997 . . . . 10.0 110.607 179.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -69.58 -35.09 75.04 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.545 -0.539 . . . . 10.0 109.545 178.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 502' ' ' GLU . . . . . 0.488 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 34.4 tt0 -65.62 -45.76 81.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.013 -0.54 . . . . 10.0 109.978 179.005 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 503' ' ' MET . . . . . 0.459 ' HA ' ' HD2' ' D' ' 506' ' ' ARG . 14.1 tmm? -63.31 -38.69 92.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.958 -0.564 . . . . 10.0 109.528 179.271 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 64.5 mtt180 -64.64 -39.28 93.41 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.06 -0.718 . . . . 10.0 109.06 178.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 505' ' ' ASP . . . . . 0.761 ' HA ' ' HD2' ' D' ' 508' ' ' ARG . 2.4 t70 -68.91 -34.96 76.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.013 -0.539 . . . . 10.0 109.557 178.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 506' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' D' ' 502' ' ' GLU . 49.5 mtt180 -63.09 -47.08 84.41 Favored 'General case' 0 CA--C 1.52 -0.174 0 N-CA-C 107.28 -1.378 . . . . 10.0 107.28 176.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -59.21 -40.41 85.73 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 115.369 -0.832 . . . . 10.0 109.358 178.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 508' ' ' ARG . . . . . 0.761 ' HD2' ' HA ' ' D' ' 505' ' ' ASP . 94.6 mtt180 -57.66 -52.94 63.39 Favored 'General case' 0 C--O 1.22 -0.464 0 N-CA-C 108.852 -0.796 . . . . 10.0 108.852 177.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -61.14 -30.78 70.59 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.82 -0.627 . . . . 10.0 111.619 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 510' ' ' HIS . . . . . 0.561 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 9.8 m-70 -73.35 -56.75 4.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.457 179.15 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 51.8 t -62.83 -39.83 86.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.734 -179.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 512' ' ' ASP . . . . . 0.552 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 30.4 t70 -60.86 -41.49 96.01 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.089 -0.505 . . . . 10.0 109.74 179.162 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -64.49 -43.37 94.33 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 108.515 -0.92 . . . . 10.0 108.515 178.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 514' ' ' LEU . . . . . 0.597 ' HA ' ' HB2' ' D' ' 517' ' ' HIS . 91.6 mt -58.24 -32.56 68.45 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.968 -0.56 . . . . 10.0 111.239 179.113 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 515' ' ' ARG . . . . . 0.552 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 73.2 mtt180 -63.86 -25.56 68.22 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.993 0.425 . . . . 10.0 110.203 178.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.22 7.56 21.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.656 -0.702 . . . . 10.0 110.086 179.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 517' ' ' HIS . . . . . 0.597 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 24.7 m170 -118.05 -67.05 1.02 Allowed 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.642 -179.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 75.3 mt -67.9 -54.44 18.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.661 -0.7 . . . . 10.0 111.797 -179.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 519' ' ' ALA . . . . . 0.689 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -49.55 -58.81 8.03 Favored Pre-proline 0 CA--C 1.535 0.388 0 N-CA-C 112.977 0.732 . . . . 10.0 112.977 -179.308 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 520' ' ' PRO . . . . . 0.689 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 36.0 Cg_exo -61.46 -30.41 86.71 Favored 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 121.751 1.634 . . . . 10.0 111.492 179.275 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -71.45 -42.62 67.95 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 120.764 -0.375 . . . . 10.0 110.662 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 1.3 p -64.87 -26.96 68.55 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.47 -0.567 . . . . 10.0 109.47 178.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 523' ' ' ASP . . . . . 0.587 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 12.6 t0 -71.12 -40.56 71.37 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 108.568 -0.901 . . . . 10.0 108.568 178.583 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -66.78 -40.4 88.17 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 108.291 -1.003 . . . . 10.0 108.291 177.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 525' ' ' LEU . . . . . 0.436 ' O ' ' HG ' ' D' ' 529' ' ' LEU . 67.1 mt -63.4 -30.94 71.99 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 114.94 -1.027 . . . . 10.0 110.669 179.347 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 526' ' ' ARG . . . . . 0.587 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 60.3 mtt180 -59.62 -40.88 89.04 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 109.675 -0.491 . . . . 10.0 109.675 178.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -68.82 -41.06 79.14 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.633 -0.712 . . . . 10.0 110.25 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 528' ' ' ARG . . . . . 0.632 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 82.6 mtt180 -67.7 -41.29 83.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.534 -0.757 . . . . 10.0 110.27 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 529' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' D' ' 525' ' ' LEU . 79.0 mt -63.44 -38.7 92.15 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.006 -0.543 . . . . 10.0 109.609 178.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -63.58 -37.63 88.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 10.0 109.985 178.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -71.72 -43.58 65.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.813 -0.63 . . . . 10.0 110.248 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 532' ' ' ARG . . . . . 0.517 ' O ' ' HG ' ' D' ' 536' ' ' LEU . 13.8 ttm180 -64.21 -46.55 83.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.769 -0.65 . . . . 10.0 109.856 179.221 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 533' ' ' LEU . . . . . 0.557 HD23 HD12 ' D' ' 536' ' ' LEU . 31.7 mt -63.17 -31.98 73.26 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.048 178.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -64.27 -41.98 96.67 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 109.231 -0.655 . . . . 10.0 109.231 178.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -66.73 -39.9 88.14 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 109.151 -0.685 . . . . 10.0 109.151 178.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 536' ' ' LEU . . . . . 0.557 HD12 HD23 ' D' ' 533' ' ' LEU . 84.1 mt -65.81 -32.0 73.29 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.877 -0.602 . . . . 10.0 110.284 179.102 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -79.43 -40.89 28.87 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.399 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -65.88 -58.55 5.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.969 -0.56 . . . . 10.0 110.606 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 48.5 m-20 -68.1 -35.56 78.36 Favored 'General case' 0 CA--C 1.511 -0.524 0 N-CA-C 109.571 -0.529 . . . . 10.0 109.571 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 540' ' ' GLY . . . . . 0.562 ' O ' ' HG ' ' D' ' 544' ' ' LEU . . . -63.57 -45.63 94.21 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.764 -0.731 . . . . 10.0 111.516 179.234 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -62.07 -42.23 99.72 Favored Glycine 0 C--N 1.334 0.455 0 N-CA-C 110.768 -0.933 . . . . 10.0 110.768 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -64.43 -42.69 95.87 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 108.925 -0.769 . . . . 10.0 108.925 178.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 543' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' D' ' 543' ' ' ARG . 55.5 mtt85 -63.87 -35.65 81.34 Favored 'General case' 0 C--O 1.217 -0.648 0 CA-C-N 115.616 -0.72 . . . . 10.0 110.648 179.181 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 544' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' D' ' 540' ' ' GLY . 84.3 mt -61.99 -39.23 91.47 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.97 -0.752 . . . . 10.0 108.97 178.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -69.8 -38.57 76.68 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.531 -0.914 . . . . 10.0 108.531 178.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -64.41 -44.03 92.5 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.686 -0.688 . . . . 10.0 109.73 178.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -59.39 -48.27 82.26 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 115.728 -0.669 . . . . 10.0 109.254 178.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 6.7 m170 -62.38 -43.62 98.4 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.843 179.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -63.76 -52.71 59.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.511 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -30.19 71.25 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.729 0.3 . . . . 10.0 110.558 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -66.89 -45.41 78.1 Favored 'General case' 0 CA--C 1.513 -0.469 0 N-CA-C 109.733 -0.469 . . . . 10.0 109.733 178.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -69.56 -39.77 77.19 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 109.911 -0.403 . . . . 10.0 109.911 179.399 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -61.12 -52.4 65.04 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.988 -0.551 . . . . 10.0 109.61 178.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 554' ' ' HIS . . . . . 0.48 ' O ' ' HG ' ' D' ' 558' ' ' LEU . 7.8 t-160 -62.75 -37.4 86.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.566 -0.743 . . . . 10.0 110.181 179.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 44.0 tp -57.48 -45.28 85.0 Favored 'General case' 0 C--O 1.237 0.418 0 N-CA-C 109.853 -0.425 . . . . 10.0 109.853 178.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 10.9 m -62.78 -38.62 91.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.828 -0.623 . . . . 10.0 109.868 178.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 3.0 m -70.89 -37.4 73.01 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.767 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 558' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' D' ' 554' ' ' HIS . 92.3 mt -64.53 -50.93 65.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.764 -0.653 . . . . 10.0 110.534 179.45 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 2.2 p -65.04 -32.45 74.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.912 0.387 . . . . 10.0 110.116 179.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -63.52 -21.79 66.53 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.525 -0.762 . . . . 10.0 109.673 178.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.98 -45.24 5.48 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.757 -0.656 . . . . 10.0 109.767 179.274 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -56.19 -43.53 78.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.185 -0.461 . . . . 10.0 112.185 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 563' ' ' LYS . . . . . 0.535 ' O ' ' HG2' ' D' ' 567' ' ' GLU . 85.1 mttt -56.18 -64.28 2.5 Favored Pre-proline 0 CA--C 1.533 0.307 0 N-CA-C 112.237 0.458 . . . . 10.0 112.237 -179.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -68.18 -37.09 15.06 Favored 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 122.36 2.04 . . . . 10.0 113.197 -179.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -60.21 -49.61 76.94 Favored 'General case' 0 C--O 1.222 -0.387 0 C-N-CA 121.243 -0.183 . . . . 10.0 110.967 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 19.2 mt -63.52 -38.07 89.74 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.882 -0.327 . . . . 10.0 110.916 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 567' ' ' GLU . . . . . 0.535 ' HG2' ' O ' ' D' ' 563' ' ' LYS . 81.6 mm-40 -62.91 -52.65 62.26 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 108.956 -0.757 . . . . 10.0 108.956 178.372 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.89 -44.65 94.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.597 -0.729 . . . . 10.0 110.814 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 35.2 mt -59.3 -47.05 86.84 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.134 -0.484 . . . . 10.0 110.539 179.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 74.0 mtt180 -65.63 -40.58 92.7 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.89 0.376 . . . . 10.0 110.54 179.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -66.4 -17.94 65.07 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.864 -0.607 . . . . 10.0 111.218 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -102.6 -35.81 3.7 Favored Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.757 -0.735 . . . . 10.0 111.774 179.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 573' ' ' LEU . . . . . 0.566 ' HA ' HG12 ' D' ' 576' ' ' VAL . 84.2 mt -71.43 -37.96 71.42 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 111.722 0.268 . . . . 10.0 111.722 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 574' ' ' LEU . . . . . 0.406 ' O ' ' HG2' ' D' ' 578' ' ' GLU . 20.5 mt -56.2 -59.43 11.9 Favored Pre-proline 0 CA--C 1.535 0.401 0 N-CA-C 112.038 0.385 . . . . 10.0 112.038 179.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.53 -34.79 32.22 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 121.94 1.76 . . . . 10.0 111.974 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 576' ' ' VAL . . . . . 0.566 HG12 ' HA ' ' D' ' 573' ' ' LEU . 0.3 OUTLIER -66.99 -35.28 74.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 120.918 -0.313 . . . . 10.0 110.409 179.62 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 577' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' D' ' 577' ' ' LEU . 22.7 mt -67.3 -41.34 85.55 Favored 'General case' 0 CA--C 1.516 -0.336 0 N-CA-C 109.471 -0.566 . . . . 10.0 109.471 178.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 578' ' ' GLU . . . . . 0.501 ' O ' HG23 ' D' ' 582' ' ' VAL . 18.6 mm-40 -61.26 -43.99 97.97 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.119 -0.697 . . . . 10.0 109.119 178.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 19.7 m -66.42 -38.32 87.18 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.416 -0.811 . . . . 10.0 109.822 178.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 4.7 m-30 -62.78 -41.52 99.29 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 116.005 -0.543 . . . . 10.0 109.898 178.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 581' ' ' LYS . . . . . 0.439 ' HD2' ' HA ' ' D' ' 578' ' ' GLU . 87.8 mttt -58.32 -39.93 80.72 Favored 'General case' 0 CA--C 1.519 -0.245 0 N-CA-C 109.719 -0.474 . . . . 10.0 109.719 178.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 582' ' ' VAL . . . . . 0.501 HG23 ' O ' ' D' ' 578' ' ' GLU . 58.1 t -61.89 -49.32 84.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.078 -0.51 . . . . 10.0 109.995 179.037 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 6.8 p -67.1 -23.87 65.88 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.576 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -80.61 -44.56 18.72 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 109.986 -0.376 . . . . 10.0 109.986 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 53.4 mt -59.74 -46.16 90.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.811 -0.631 . . . . 10.0 111.09 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 5.4 p -65.48 -34.46 78.33 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.199 0.523 . . . . 10.0 110.678 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 587' ' ' ALA . . . . . 0.418 ' HB2' ' HG2' ' A' ' 396' ' ' LYS . . . -70.21 -55.68 8.69 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.359 179.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 90.9 mt -56.49 -47.49 79.15 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.445 0.535 . . . . 10.0 112.445 -179.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 589' ' ' GLU . . . . . 0.402 ' HG2' ' HE3' ' D' ' 593' ' ' LYS . 12.4 tt0 -58.91 -47.89 83.38 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.404 -0.362 . . . . 10.0 111.425 -179.499 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -70.36 -39.49 74.61 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 111.944 0.349 . . . . 10.0 111.944 -179.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -60.61 -45.61 93.37 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.708 0.289 . . . . 10.0 111.138 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 592' ' ' THR . . . . . 0.4 ' OG1' ' H49' ' D' ' 630' ' ' 17F . 4.9 m -64.87 -24.93 67.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.239 -0.437 . . . . 10.0 111.213 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 593' ' ' LYS . . . . . 0.402 ' HE3' ' HG2' ' D' ' 589' ' ' GLU . 95.7 mttt -82.66 -35.63 26.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.837 0.351 . . . . 10.0 110.975 179.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 594' ' ' LYS . . . . . 0.433 ' HE2' ' HB2' ' A' ' 388' ' ' SER . 11.4 mptt -71.65 -37.43 70.81 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.066 0.46 . . . . 10.0 110.071 178.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 5.4 mt -100.11 27.23 5.73 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.423 -0.808 . . . . 10.0 110.525 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 . . . . . 0 C--N 1.324 -0.512 0 CA-C-N 116.438 -0.346 . . . . 10.0 111.277 -179.755 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 N--CA 1.454 -0.253 0 CA-C-O 120.71 0.29 . . . . 10.0 110.309 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.68 131.11 42.28 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.057 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -95.95 139.01 32.77 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.484 -0.325 . . . . 10.0 110.176 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' TYR . . . . . 0.423 ' HE2' ' HB3' ' B' ' 51' ' ' CYS . 99.6 m-85 -131.71 110.89 11.21 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.512 -0.313 . . . . 10.0 110.187 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.701 ' HA ' ' HB3' ' B' ' 54' ' ' ASP . 46.2 mttm -81.47 110.98 17.39 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.163 -0.471 . . . . 10.0 110.651 -179.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.515 ' HB3' HD23 ' B' ' 159' ' ' LEU . 11.1 mt -108.93 121.35 44.92 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.72 -0.673 . . . . 10.0 110.573 -178.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 48.0 t -107.36 121.66 60.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-O 120.764 0.316 . . . . 10.0 110.808 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.642 HG12 ' HD2' ' B' ' 16' ' ' LYS . 10.3 t -93.5 111.08 24.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.637 -0.505 . . . . 10.0 109.637 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 5.3 m -117.0 159.03 17.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.122 0.487 . . . . 10.0 111.842 -179.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 155.64 -163.45 31.68 Favored Glycine 0 N--CA 1.446 -0.649 0 CA-C-N 115.42 -0.809 . . . . 10.0 111.359 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -86.93 -170.49 3.09 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.709 0.29 . . . . 10.0 110.606 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.416 ' HB2' ' OH ' ' B' ' 32' ' ' TYR . 2.3 p-10 -98.43 137.08 37.64 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.487 -0.324 . . . . 10.0 111.171 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 86.06 9.66 76.6 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 121.082 -0.58 . . . . 10.0 113.058 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.431 HG23 ' HG3' ' B' ' 16' ' ' LYS . 18.8 m -81.7 -15.87 12.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.696 0.248 . . . . 10.0 111.243 -179.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 99.58 26.43 8.63 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.483 -0.865 . . . . 10.0 113.811 178.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.642 ' HD2' HG12 ' B' ' 8' ' ' VAL . 31.8 mtmt -63.84 -34.74 78.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.027 0.441 . . . . 10.0 110.033 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 2.1 m -78.87 -43.39 25.12 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.809 -0.632 . . . . 10.0 109.661 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.21 -44.55 79.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.086 -0.506 . . . . 10.0 110.898 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 73.8 mt -66.12 -49.31 67.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 10.0 111.476 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 16.2 m -63.96 -45.64 88.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.443 -0.344 . . . . 10.0 111.526 -179.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 95.2 mt -63.01 -34.2 65.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.677 0.275 . . . . 10.0 110.637 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . 0.63 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 2.0 mm-40 -69.77 -16.65 63.34 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.904 0.383 . . . . 10.0 111.348 179.636 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 9.8 tp -98.41 -37.4 9.62 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.997 0.427 . . . . 10.0 110.471 179.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 49.3 mm -79.74 -58.79 3.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.73 -0.668 . . . . 10.0 111.899 -179.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -93.79 -11.8 30.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.875 0.369 . . . . 10.0 111.093 -179.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . 0.63 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 64.7 m-80 62.66 29.4 16.86 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 113.802 1.038 . . . . 10.0 113.802 178.302 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -132.44 150.15 52.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.758 0.313 . . . . 10.0 110.805 179.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -93.98 129.58 40.4 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.878 -179.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 34.9 m -90.6 -171.27 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.625 -0.716 . . . . 10.0 109.605 178.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -149.87 -39.9 0.14 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.927 0.394 . . . . 10.0 110.918 179.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -79.88 146.53 32.12 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.1 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . 0.888 ' HD1' H5'2 ' B' ' 201' ' ' GSP . 73.6 t80 -85.81 113.05 21.66 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.134 -179.323 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . 0.436 ' O ' ' S1G' ' B' ' 201' ' ' GSP . 3.4 t70 -114.85 101.85 54.61 Favored Pre-proline 0 C--N 1.324 -0.507 0 N-CA-C 109.654 -0.499 . . . . 10.0 109.654 179.216 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -49.72 124.21 11.92 Favored 'Trans proline' 0 N--CA 1.473 0.273 0 C-N-CA 123.484 2.79 . . . . 10.0 113.103 -178.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.421 ' OG1' ' O3G' ' B' ' 201' ' ' GSP . 6.0 m -101.84 115.12 29.85 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.677 -0.692 . . . . 10.0 110.003 -179.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 51.5 mm -81.77 -51.78 14.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 108.771 -0.826 . . . . 10.0 108.771 178.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -167.09 88.41 0.31 Allowed 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.35 -0.841 . . . . 10.0 110.243 179.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . 0.42 ' HB2' ' CG2' ' B' ' 35' ' ' THR . 0.6 OUTLIER -106.18 123.82 48.63 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.885 -0.598 . . . . 10.0 110.664 -179.411 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.8 p -106.91 129.21 54.77 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.6 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -124.49 140.59 52.8 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.535 -0.302 . . . . 10.0 110.893 -178.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.43 ' HD2' ' OD1' ' B' ' 54' ' ' ASP . 0.8 OUTLIER -117.82 134.56 54.8 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.785 -179.566 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 42.9 tttp -145.29 142.38 29.41 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.468 -0.333 . . . . 10.0 111.257 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -107.45 122.41 46.57 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.252 -0.431 . . . . 10.0 110.096 179.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 2.3 m -133.27 165.74 31.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.36 -0.382 . . . . 10.0 111.177 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 2.7 t -113.14 63.34 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.303 0.573 . . . . 10.0 110.315 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 22.1 mt -75.37 137.62 22.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.032 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 63.67 3.74 1.63 Allowed 'General case' 0 N--CA 1.474 0.746 0 O-C-N 123.615 0.572 . . . . 10.0 112.35 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 98.92 2.9 57.09 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.696 -0.764 . . . . 10.0 112.351 -179.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -117.99 135.99 53.81 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.884 0.342 . . . . 10.0 110.588 179.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 2.1 m -68.92 119.96 14.06 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.455 -0.572 . . . . 10.0 109.455 179.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . 0.423 ' HB3' ' HE2' ' B' ' 4' ' ' TYR . 0.1 OUTLIER -127.89 146.91 50.47 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.321 -0.399 . . . . 10.0 111.291 -178.896 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 42.6 tp -105.26 114.91 29.38 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.145 -0.687 . . . . 10.0 109.145 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 46.5 mt -85.88 124.13 32.01 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.122 -0.49 . . . . 10.0 111.666 -179.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . 0.701 ' HB3' ' HA ' ' B' ' 5' ' ' LYS . 29.2 t70 -107.23 79.96 1.37 Allowed 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.222 -1.029 . . . . 10.0 108.222 178.496 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 6.3 mt -84.11 144.38 10.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.544 -0.753 . . . . 10.0 111.265 -177.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 23.3 tp -141.99 115.17 8.82 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.213 -0.449 . . . . 10.0 111.465 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -98.64 117.99 34.34 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 109.264 -0.643 . . . . 10.0 109.264 178.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . 0.426 HG21 ' CE1' ' B' ' 71' ' ' TYR . 1.2 p -111.16 167.78 10.01 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.688 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.06 155.85 40.0 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.185 0.517 . . . . 10.0 111.585 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -138.4 40.07 1.51 Allowed Glycine 0 N--CA 1.447 -0.571 0 CA-C-N 115.992 -0.549 . . . . 10.0 111.897 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -104.96 21.4 17.12 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.632 0.253 . . . . 10.0 110.6 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 65.69 177.45 0.21 Allowed 'General case' 0 N--CA 1.462 0.175 0 N-CA-C 112.817 0.673 . . . . 10.0 112.817 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 69.88 27.42 4.51 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.948 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -120.55 31.63 6.36 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.107 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.48 -44.42 65.62 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.269 -0.878 . . . . 10.0 113.324 -178.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.58 -11.69 50.78 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 112.557 0.577 . . . . 10.0 112.557 -178.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 28.2 ttt -94.01 -41.8 9.37 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.55 -0.296 . . . . 10.0 111.648 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . 0.516 ' HA ' ' CE1' ' B' ' 71' ' ' TYR . 4.4 ttp180 -59.83 -46.6 88.74 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.377 -0.374 . . . . 10.0 111.737 -179.075 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -59.27 -23.08 62.08 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 112.487 0.551 . . . . 10.0 112.487 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -70.03 -64.89 0.8 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.312 0.486 . . . . 10.0 112.312 -178.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' TYR . . . . . 0.516 ' CE1' ' HA ' ' B' ' 68' ' ' ARG . 49.5 p90 -70.87 -17.17 62.73 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 112.455 0.539 . . . . 10.0 112.455 -178.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . 0.433 ' HG2' ' CE1' ' B' ' 78' ' ' PHE . 10.6 mtt -69.55 -23.9 63.64 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.939 0.399 . . . . 10.0 111.058 179.36 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' B' ' 73' ' ' ARG . 44.3 ttm180 -75.03 -43.23 54.81 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.101 -0.499 . . . . 10.0 110.036 179.381 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.12 -31.26 58.55 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.838 -0.619 . . . . 10.0 111.011 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -55.89 125.41 37.05 Favored Glycine 0 C--N 1.331 0.302 0 CA-C-N 116.045 -0.525 . . . . 10.0 113.135 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -92.83 -42.37 9.57 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.916 0.389 . . . . 10.0 110.193 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -120.91 135.19 10.61 Favored Glycine 0 N--CA 1.445 -0.74 0 N-CA-C 110.909 -0.876 . . . . 10.0 110.909 179.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . 0.501 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 68.1 m-85 -112.53 120.47 41.71 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.4 0.619 . . . . 10.0 112.435 -179.081 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.552 HD12 ' HB ' ' B' ' 112' ' ' VAL . 10.8 tp -100.9 112.19 24.56 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.523 -0.762 . . . . 10.0 109.39 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . 0.634 ' HB3' HD12 ' B' ' 93' ' ' ILE . 11.9 m -92.47 100.43 12.98 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.983 -0.553 . . . . 10.0 109.986 -179.421 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . 0.463 HG22 ' HB ' ' B' ' 114' ' ' VAL . 77.2 t -102.31 125.44 56.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.853 0.359 . . . . 10.0 111.07 -179.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' PHE . . . . . 0.454 ' HE2' ' HG ' ' B' ' 113' ' ' LEU . 38.7 p90 -133.29 163.31 29.6 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.084 -0.507 . . . . 10.0 109.817 179.334 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.44 ' HB1' ' OD1' ' B' ' 85' ' ' ASN . . . -100.69 129.74 46.64 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 110.074 -0.343 . . . . 10.0 110.074 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . 0.599 ' CD1' ' HA ' ' B' ' 118' ' ' CYS . 28.7 pt -68.55 -9.97 12.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 112.152 0.427 . . . . 10.0 112.152 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . 0.44 ' OD1' ' HB1' ' B' ' 83' ' ' ALA . 20.6 p-10 -106.52 13.09 28.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.42 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -140.34 98.66 3.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.251 -0.432 . . . . 10.0 110.179 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.3 -30.72 69.66 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.809 0.67 . . . . 10.0 112.809 -178.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 22.2 tptp -62.31 -47.68 83.19 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.968 -0.293 . . . . 10.0 111.437 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . 0.449 ' O ' HG12 ' B' ' 93' ' ' ILE . 89.7 p -61.0 -27.45 68.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.388 -0.369 . . . . 10.0 110.934 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -72.47 -40.19 67.14 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.264 179.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -75.27 -34.44 61.35 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.954 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.35 -30.53 64.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.917 -0.583 . . . . 10.0 111.812 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' ILE . . . . . 0.634 HD12 ' HB3' ' B' ' 80' ' ' CYS . 41.9 mm -60.66 -37.06 74.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.135 -0.484 . . . . 10.0 111.334 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 48.8 t60 -59.87 -49.0 79.41 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.054 0.454 . . . . 10.0 110.008 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -67.22 -35.19 79.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.7 -0.682 . . . . 10.0 110.398 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -62.35 -44.29 96.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.788 -0.642 . . . . 10.0 109.879 179.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 97' ' ' ARG . . . . . 0.499 ' HA ' HD12 ' B' ' 100' ' ' ILE . 20.9 ttt180 -62.68 -42.37 99.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.079 -0.51 . . . . 10.0 110.766 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -61.45 -36.76 81.29 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.714 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 99' ' ' GLN . . . . . 0.434 ' O ' HG23 ' B' ' 103' ' ' VAL . 57.6 tt0 -67.97 -40.06 83.23 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.564 -0.532 . . . . 10.0 109.564 178.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . 0.499 HD12 ' HA ' ' B' ' 97' ' ' ARG . 88.0 mt -59.98 -45.21 95.62 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-O 121.047 0.451 . . . . 10.0 110.155 179.055 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 19.5 mtmt -64.36 -22.95 67.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.309 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -84.64 -50.63 7.49 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.411 -0.359 . . . . 10.0 111.093 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . 0.434 HG23 ' O ' ' B' ' 99' ' ' GLN . 47.1 t -59.04 -57.28 12.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.0 -0.546 . . . . 10.0 111.941 -179.186 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -79.25 -11.66 59.95 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.41 -0.359 . . . . 10.0 111.511 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 17.3 t0 56.11 32.94 21.03 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.642 0.734 . . . . 10.0 110.545 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 12.0 m -133.16 143.57 49.32 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.582 -0.735 . . . . 10.0 111.023 -178.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -92.69 -30.34 15.61 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.189 0.519 . . . . 10.0 110.053 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -92.27 82.54 4.97 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.833 -0.621 . . . . 10.0 110.738 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 0.415 ' HA ' ' HD3' ' B' ' 110' ' ' PRO . 70.9 t -123.06 130.7 24.49 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 115.695 -0.684 . . . . 10.0 109.69 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 34.7 Cg_exo -62.61 109.42 0.88 Allowed 'Trans proline' 0 C--O 1.234 0.301 0 C-N-CA 123.094 2.529 . . . . 10.0 112.089 179.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' MET . . . . . 0.501 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 22.6 mtm -133.58 149.17 51.64 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.945 -0.57 . . . . 10.0 109.687 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . 0.552 ' HB ' HD12 ' B' ' 79' ' ' LEU . 60.5 t -133.32 142.44 41.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 109.697 -0.483 . . . . 10.0 109.697 179.042 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . 0.454 ' HG ' ' HE2' ' B' ' 82' ' ' PHE . 15.6 tp -99.31 118.88 36.95 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.96 0.409 . . . . 10.0 110.506 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 114' ' ' VAL . . . . . 0.463 ' HB ' HG22 ' B' ' 81' ' ' VAL . 85.7 t -114.75 113.12 42.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.222 -0.444 . . . . 10.0 111.391 -179.279 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -93.28 97.98 2.31 Favored Glycine 0 N--CA 1.45 -0.396 0 N-CA-C 110.481 -1.048 . . . . 10.0 110.481 178.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -89.19 174.39 7.88 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.827 0.346 . . . . 10.0 111.841 -178.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . 0.434 ' HE2' ' C8 ' ' B' ' 201' ' ' GSP . 16.1 mmtt 67.75 24.77 8.21 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.608 -0.724 . . . . 10.0 111.538 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 118' ' ' CYS . . . . . 0.599 ' HA ' ' CD1' ' B' ' 84' ' ' ILE . 53.7 m -68.87 -13.47 62.44 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.195 -0.457 . . . . 10.0 111.618 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.03 -25.04 55.29 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.449 179.096 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . 0.495 ' HA ' ' HD3' ' B' ' 121' ' ' PRO . 85.1 mt -79.77 132.84 59.92 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.868 -0.605 . . . . 10.0 110.891 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 121' ' ' PRO . . . . . 0.495 ' HD3' ' HA ' ' B' ' 120' ' ' LEU . 2.8 Cg_exo -77.66 169.27 21.15 Favored 'Trans proline' 0 N--CA 1.459 -0.511 0 C-N-CA 123.103 2.535 . . . . 10.0 111.403 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 16.3 m 62.14 54.45 2.69 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.495 0.664 . . . . 10.0 111.732 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 123' ' ' ARG . . . . . 0.456 ' HB3' HD12 ' B' ' 84' ' ' ILE . 1.4 ptp180 -73.41 148.16 43.57 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.444 -0.798 . . . . 10.0 110.666 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -97.53 -43.73 7.12 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.538 -0.541 . . . . 10.0 109.538 178.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 47.5 t -85.1 110.04 18.84 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-N 115.745 -0.661 . . . . 10.0 109.658 179.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . 0.574 ' OD1' ' HG2' ' B' ' 128' ' ' LYS . 6.3 t70 -77.74 153.2 33.16 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.76 -0.654 . . . . 10.0 110.37 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . 0.42 HG23 ' HE2' ' B' ' 141' ' ' PHE . 1.8 m -60.36 -34.25 73.59 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.469 -0.332 . . . . 10.0 111.177 -179.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 128' ' ' LYS . . . . . 0.574 ' HG2' ' OD1' ' B' ' 126' ' ' ASP . 0.0 OUTLIER -59.59 -52.11 66.94 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 112.656 0.613 . . . . 10.0 112.656 -179.084 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -67.82 -34.6 77.06 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.041 0.386 . . . . 10.0 112.041 -178.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.54 -46.75 84.57 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.326 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . 0.438 ' HG3' ' HD2' ' B' ' 141' ' ' PHE . 78.7 mt-30 -73.93 -28.25 61.43 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.737 179.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -66.45 -42.11 88.12 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.088 -0.506 . . . . 10.0 110.628 179.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 34.4 tp -71.0 -44.34 66.12 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.208 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.2 -21.95 66.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.883 -0.599 . . . . 10.0 111.805 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 135' ' ' ARG . . . . . 0.473 ' HG3' ' HE2' ' C' ' 165' ' ' LYS . 37.5 ttm180 -61.62 -41.67 97.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.017 0.437 . . . . 10.0 111.283 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 19.4 m -77.82 -6.74 55.17 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.095 -0.502 . . . . 10.0 111.262 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 22.7 m-30 -100.26 -19.65 16.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.019 0.437 . . . . 10.0 110.268 179.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 77.9 16.43 79.94 Favored Glycine 0 N--CA 1.449 -0.492 0 N-CA-C 111.55 -0.62 . . . . 10.0 111.55 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 27.0 pt -106.16 149.44 38.16 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 120.674 0.273 . . . . 10.0 110.966 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -84.59 144.57 10.14 Favored 'Trans proline' 0 C--O 1.236 0.407 0 C-N-CA 122.858 2.372 . . . . 10.0 112.182 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 141' ' ' PHE . . . . . 0.438 ' HD2' ' HG3' ' B' ' 131' ' ' GLN . 49.7 t80 -121.28 122.22 39.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.782 -0.645 . . . . 10.0 110.416 178.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 5.1 mp -125.53 125.78 69.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.471 -0.332 . . . . 10.0 110.457 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -67.11 128.22 35.54 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.962 -0.384 . . . . 10.0 109.962 178.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.64 146.67 50.47 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.205 0.526 . . . . 10.0 112.327 -178.393 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 4.1 m -127.11 115.76 19.64 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.741 -0.837 . . . . 10.0 108.741 179.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -69.02 -26.21 64.88 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.867 0.692 . . . . 10.0 112.867 -178.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 147' ' ' LYS . . . . . 0.462 ' HB2' ' HE3' ' B' ' 147' ' ' LYS . 27.0 ttmt -68.25 -57.54 5.82 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.151 0.426 . . . . 10.0 112.151 -178.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 1.9 p -81.16 -16.66 52.26 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.744 0.276 . . . . 10.0 111.744 -178.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 65.83 10.88 7.22 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.656 -0.702 . . . . 10.0 112.107 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -70.18 113.84 7.75 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.494 -0.775 . . . . 10.0 111.125 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 91.16 -0.6 75.75 Favored Glycine 0 N--CA 1.447 -0.582 0 CA-C-N 115.76 -0.655 . . . . 10.0 112.803 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 91.3 t -72.44 -38.17 59.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.968 0.384 . . . . 10.0 111.434 -179.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.51 -51.32 67.88 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.165 -0.471 . . . . 10.0 111.309 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 154' ' ' ASP . . . . . 0.428 ' HA ' ' CD2' ' B' ' 157' ' ' TYR . 33.2 t70 -70.74 -23.39 62.42 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.893 -179.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -58.72 -47.53 84.25 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.834 0.349 . . . . 10.0 111.351 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -69.19 -29.49 67.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.21 0.528 . . . . 10.0 110.734 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 157' ' ' TYR . . . . . 0.428 ' CD2' ' HA ' ' B' ' 154' ' ' ASP . 16.4 m-30 -67.48 -29.0 68.33 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.821 -0.627 . . . . 10.0 111.061 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 158' ' ' THR . . . . . 0.519 ' O ' ' HG2' ' B' ' 162' ' ' GLU . 1.7 m -61.41 -47.03 87.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.982 -179.452 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 159' ' ' LEU . . . . . 0.515 HD23 ' HB3' ' B' ' 6' ' ' LEU . 14.1 tp -60.62 -40.72 92.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.934 0.397 . . . . 10.0 111.125 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 47.8 t -64.78 -39.23 84.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.029 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.64 -37.03 85.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.258 179.613 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 162' ' ' GLU . . . . . 0.519 ' HG2' ' O ' ' B' ' 158' ' ' THR . 62.9 mm-40 -62.58 -37.64 86.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.0 0.429 . . . . 10.0 110.082 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 57.9 mt -73.03 -37.7 53.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.055 -0.521 . . . . 10.0 109.96 179.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 57.7 mtt180 -68.02 -41.33 82.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.985 -0.552 . . . . 10.0 111.047 179.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -66.52 -22.97 66.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 10.0 111.17 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 24.1 t-80 -57.29 -34.37 68.62 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 115.683 -0.689 . . . . 10.0 110.228 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -62.87 -52.92 61.24 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.612 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -65.16 -37.0 85.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.77 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -64.2 -39.89 94.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.176 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 6.5 mmt -69.43 -23.15 63.65 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.985 -0.552 . . . . 10.0 111.398 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 10.0 m -71.13 -32.05 68.5 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.569 -0.53 . . . . 10.0 109.569 179.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 172' ' ' LYS . . . . . 0.517 ' O ' ' HG2' ' B' ' 175' ' ' LYS . 57.0 mtpt -85.91 -37.35 19.18 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 115.772 -0.649 . . . . 10.0 109.708 179.009 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 173' ' ' ASP . . . . . . . . . . . . . 31.0 t70 60.02 -97.13 0.07 Allowed 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.403 -0.817 . . . . 10.0 111.545 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . -149.18 16.5 1.16 Allowed Glycine 0 N--CA 1.445 -0.748 0 N-CA-C 110.915 -0.874 . . . . 10.0 110.915 179.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 175' ' ' LYS . . . . . 0.517 ' HG2' ' O ' ' B' ' 172' ' ' LYS . 13.1 ptpt -100.33 -161.56 0.88 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.563 -0.319 . . . . 10.0 111.014 -179.303 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 176' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp 64.91 23.43 12.61 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.321 0.581 . . . . 10.0 111.412 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 177' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -93.49 -146.51 0.24 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.443 -0.798 . . . . 10.0 109.394 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 178' ' ' LYS . . . . . 0.659 ' HG2' ' C6 ' ' B' ' 210' ' ' 17F . 0.3 OUTLIER 69.09 26.12 5.66 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.056 0.455 . . . . 10.0 111.145 179.92 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 179' ' ' LYS . . . . . 0.744 ' HA ' ' O5 ' ' B' ' 210' ' ' 17F . 0.7 OUTLIER -134.84 78.71 1.75 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.089 179.796 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 7.3 tptp -140.01 -31.58 0.65 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.672 -0.695 . . . . 10.0 111.408 -179.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 13.2 m -117.07 55.8 0.83 Allowed 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 121.41 0.624 . . . . 10.0 110.631 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 182' ' ' LYS . . . . . 0.452 ' HD3' ' HD2' ' B' ' 179' ' ' LYS . 14.5 pttp -86.2 -39.73 16.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.661 -0.7 . . . . 10.0 112.151 -179.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.42 144.63 44.22 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 121.259 -0.176 . . . . 10.0 110.725 -179.559 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 184' ' ' LYS . . . . . 0.767 ' N ' ' H61' ' A' ' 409' ' ' PCW . 0.0 OUTLIER . . . . . 0 N--CA 1.468 0.432 0 N-CA-C 111.904 0.335 . . . . 10.0 111.904 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 19.4 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.755 0.312 . . . . 10.0 110.58 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 3.4 m -111.96 134.94 53.21 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.249 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 49.4 tt0 -94.55 133.2 38.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.69 -0.232 . . . . 10.0 110.835 -179.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 4' ' ' TYR . . . . . 0.463 ' CD2' ' HB3' ' C' ' 51' ' ' CYS . 96.3 m-85 -128.22 115.56 18.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.316 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 5' ' ' LYS . . . . . 0.619 ' HA ' ' HB3' ' C' ' 54' ' ' ASP . 56.1 mttm -85.2 112.08 20.4 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.114 0.483 . . . . 10.0 110.814 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 11.8 mt -109.63 121.98 46.41 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.61 -0.723 . . . . 10.0 111.338 -178.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . 0.425 ' CG2' ' HA3' ' C' ' 75' ' ' GLY . 59.9 t -105.46 118.23 52.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.242 -0.435 . . . . 10.0 110.004 179.408 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 20.2 t -91.95 105.93 17.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 109.57 -0.53 . . . . 10.0 109.57 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 4.0 m -104.05 154.75 5.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.224 0.535 . . . . 10.0 111.464 -179.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.08 164.79 16.6 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 121.004 -0.617 . . . . 10.0 111.706 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.92 -167.03 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.248 0.547 . . . . 10.0 111.442 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -84.32 149.02 26.33 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.003 -0.544 . . . . 10.0 111.433 -179.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 13' ' ' GLY . . . . . 0.82 ' HA2' H5'1 ' C' ' 201' ' ' GSP . . . 57.18 29.4 59.78 Favored Glycine 0 CA--C 1.521 0.468 0 N-CA-C 114.772 0.669 . . . . 10.0 114.772 179.332 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 14' ' ' VAL . . . . . 0.493 HG23 ' HG3' ' C' ' 16' ' ' LYS . 20.6 m -88.79 -31.12 5.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 117.38 0.59 . . . . 10.0 111.795 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . 0.606 ' HA2' ' H8 ' ' C' ' 201' ' ' GSP . . . 115.51 18.84 5.98 Favored Glycine 0 CA--C 1.518 0.242 0 C-N-CA 120.781 -0.724 . . . . 10.0 113.433 179.539 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . 0.493 ' HG3' HG23 ' C' ' 14' ' ' VAL . 51.8 mtmt -60.84 -50.5 73.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.312 0.577 . . . . 10.0 110.629 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 17' ' ' SER . . . . . 0.562 ' HB2' ' O1A' ' C' ' 201' ' ' GSP . 33.7 m -66.91 -42.29 85.66 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.486 -0.779 . . . . 10.0 110.954 -179.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.25 -45.79 87.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.421 -0.354 . . . . 10.0 111.078 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 65.2 mt -65.27 -46.45 80.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.884 0.374 . . . . 10.0 110.983 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 27.8 m -63.33 -42.77 98.99 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.885 -0.598 . . . . 10.0 111.637 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 73.5 mt -63.48 -36.07 74.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 110.006 -0.368 . . . . 10.0 110.006 179.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 22' ' ' GLN . . . . . 0.72 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 1.2 mm-40 -65.47 -36.08 82.83 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.116 0.484 . . . . 10.0 110.209 178.677 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 24.0 tp -76.95 -35.6 57.15 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.329 -0.396 . . . . 10.0 111.627 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 50.8 mm -85.88 -61.1 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 112.904 0.705 . . . . 10.0 112.904 -178.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -88.68 -9.4 52.16 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 112.138 0.422 . . . . 10.0 112.138 -178.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 26' ' ' ASN . . . . . 0.72 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 6.4 m-20 67.97 32.63 5.0 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 114.629 1.344 . . . . 10.0 114.629 178.204 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -151.27 154.68 37.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.72 0.295 . . . . 10.0 111.114 178.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -102.27 130.33 48.94 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.2 -0.454 . . . . 10.0 110.723 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 4.8 m -104.84 125.71 59.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.86 -0.609 . . . . 10.0 109.597 178.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -79.9 -14.25 58.77 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.413 0.625 . . . . 10.0 110.864 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -77.79 136.01 38.06 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.505 -0.771 . . . . 10.0 110.097 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 32' ' ' TYR . . . . . 0.898 ' CD1' H5'2 ' C' ' 201' ' ' GSP . 5.8 t80 -79.79 119.59 22.89 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.946 0.403 . . . . 10.0 111.017 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -100.0 115.97 65.05 Favored Pre-proline 0 C--O 1.237 0.433 0 CA-C-N 115.73 -0.668 . . . . 10.0 110.492 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -78.09 70.1 7.24 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.946 2.43 . . . . 10.0 110.863 179.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 35' ' ' THR . . . . . 0.401 ' OG1' ' O3G' ' C' ' 201' ' ' GSP . 0.2 OUTLIER -69.3 134.31 48.95 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.501 -0.772 . . . . 10.0 111.715 -179.487 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 44.6 mm -107.62 -47.1 7.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 108.266 -1.013 . . . . 10.0 108.266 178.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 37' ' ' GLU . . . . . 0.632 ' HG2' HD11 ' C' ' 56' ' ' LEU . 1.2 tt0 -163.61 96.68 0.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.344 -0.844 . . . . 10.0 109.862 178.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -126.95 127.43 44.84 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.412 -0.358 . . . . 10.0 110.727 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 2.4 p -99.92 147.7 25.27 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.279 -0.419 . . . . 10.0 111.413 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -138.88 132.39 30.36 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.5 -0.556 . . . . 10.0 109.5 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -114.96 134.28 55.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.748 0.308 . . . . 10.0 111.038 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 42' ' ' LYS . . . . . 0.6 ' HB3' HD12 ' C' ' 53' ' ' LEU . 50.4 tttp -143.45 143.21 31.5 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.471 -0.566 . . . . 10.0 109.471 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -117.5 109.99 17.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.639 0.256 . . . . 10.0 110.518 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 2.8 m -130.59 164.61 33.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.336 0.588 . . . . 10.0 111.448 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 47.7 t -93.48 94.88 4.89 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 115.669 -0.696 . . . . 10.0 109.877 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 46' ' ' ILE . . . . . 0.576 HG13 HG11 ' C' ' 160' ' ' VAL . 29.5 mm -77.09 100.79 2.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 108.076 -1.083 . . . . 10.0 108.076 178.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 47' ' ' ASP . . . . . 0.558 ' HA ' ' HB2' ' B' ' 128' ' ' LYS . 4.9 m-20 69.01 -97.4 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.555 -0.748 . . . . 10.0 109.857 -178.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . -124.67 12.48 7.82 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.75 -0.738 . . . . 10.0 111.869 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -125.74 132.82 52.27 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.829 0.347 . . . . 10.0 111.125 -179.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -78.54 121.95 25.27 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.751 -0.833 . . . . 10.0 108.751 177.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 51' ' ' CYS . . . . . 0.463 ' HB3' ' CD2' ' C' ' 4' ' ' TYR . 4.0 m -125.44 141.68 51.92 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 112.531 0.567 . . . . 10.0 112.531 -178.147 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 53.7 tp -97.54 117.56 32.07 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.369 -0.974 . . . . 10.0 108.369 177.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . 0.6 HD12 ' HB3' ' C' ' 42' ' ' LYS . 10.1 mt -88.88 121.09 30.89 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.462 0.648 . . . . 10.0 112.193 -178.357 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . 0.619 ' HB3' ' HA ' ' C' ' 5' ' ' LYS . 26.3 t0 -103.89 81.97 1.93 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.479 -1.304 . . . . 10.0 107.479 177.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 6.4 mt -89.03 148.15 4.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.495 -0.775 . . . . 10.0 111.883 -177.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . 0.632 HD11 ' HG2' ' C' ' 37' ' ' GLU . 16.6 tp -148.39 125.48 11.4 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.73 -0.668 . . . . 10.0 110.0 179.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -84.26 138.82 32.74 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 109.841 -0.429 . . . . 10.0 109.841 178.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 25.0 p -99.42 165.97 11.4 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.246 -0.434 . . . . 10.0 111.211 -178.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -88.4 119.74 29.12 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.015 -0.539 . . . . 10.0 109.716 178.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -92.21 11.9 70.97 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.913 -0.66 . . . . 10.0 112.728 -179.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -85.32 2.87 42.29 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.991 0.367 . . . . 10.0 111.991 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 62' ' ' GLU . . . . . 0.459 ' HG3' ' H ' ' C' ' 63' ' ' GLU . 3.5 tp10 62.66 -158.54 0.32 Allowed 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 109.781 -0.451 . . . . 10.0 109.781 -179.537 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 63' ' ' GLU . . . . . 0.459 ' H ' ' HG3' ' C' ' 62' ' ' GLU . 14.0 tt0 71.5 -42.58 0.54 Allowed 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 113.171 0.804 . . . . 10.0 113.171 179.414 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 64' ' ' TYR . . . . . 0.872 ' HB3' ' HB3' ' C' ' 67' ' ' MET . 70.5 m-85 -77.33 61.24 2.14 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.096 0.406 . . . . 10.0 112.096 -179.165 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.42 -37.61 77.52 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-O 120.836 0.35 . . . . 10.0 110.331 179.292 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.84 -39.23 51.92 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.494 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 67' ' ' MET . . . . . 0.872 ' HB3' ' HB3' ' C' ' 64' ' ' TYR . 8.9 ttt -62.95 -37.37 86.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.832 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 68' ' ' ARG . . . . . 0.586 ' HA ' ' CZ ' ' C' ' 71' ' ' TYR . 17.6 ttp180 -64.21 -37.58 87.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.035 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.52 -33.45 71.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.884 -0.598 . . . . 10.0 111.303 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -60.7 -62.29 1.97 Allowed 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.818 0.673 . . . . 10.0 112.818 -179.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 71' ' ' TYR . . . . . 0.586 ' CZ ' ' HA ' ' C' ' 68' ' ' ARG . 5.6 p90 -73.73 -16.18 61.19 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 112.95 0.722 . . . . 10.0 112.95 -179.015 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 72' ' ' MET . . . . . 0.575 ' HA ' ' HZ ' ' C' ' 78' ' ' PHE . 18.3 mtt -67.07 -32.38 73.51 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-O 121.131 0.491 . . . . 10.0 110.567 179.282 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 33.7 ttm105 -78.22 -32.46 49.87 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.297 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.97 -50.22 17.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.0 -0.545 . . . . 10.0 111.69 -179.512 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 75' ' ' GLY . . . . . 0.425 ' HA3' ' CG2' ' C' ' 7' ' ' VAL . . . -61.74 140.07 47.0 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 121.131 -0.557 . . . . 10.0 113.774 -178.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -95.89 -51.27 4.54 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.171 0.51 . . . . 10.0 110.082 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -106.02 132.55 11.18 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.466 -0.788 . . . . 10.0 111.627 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 78' ' ' PHE . . . . . 0.736 ' HB2' ' HG2' ' C' ' 111' ' ' MET . 54.9 m-85 -109.34 129.6 55.52 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.207 0.527 . . . . 10.0 111.625 -179.229 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . 0.42 HD13 HD22 ' C' ' 159' ' ' LEU . 12.4 tp -109.29 107.4 17.61 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.69 -0.686 . . . . 10.0 109.661 179.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 80' ' ' CYS . . . . . 0.517 ' HB3' HD12 ' C' ' 93' ' ' ILE . 47.7 m -87.15 96.4 10.3 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.379 0.609 . . . . 10.0 111.423 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 92.2 t -95.97 122.06 47.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.501 -0.772 . . . . 10.0 110.134 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 82' ' ' PHE . . . . . 0.598 ' HB3' HD11 ' C' ' 93' ' ' ILE . 29.2 p90 -132.9 151.97 51.96 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.406 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -90.27 123.99 34.51 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.109 -0.7 . . . . 10.0 109.109 179.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 84' ' ' ILE . . . . . 0.866 HD12 ' HD3' ' C' ' 123' ' ' ARG . 27.6 pt -67.9 -11.87 14.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 112.765 0.654 . . . . 10.0 112.765 -179.064 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 20.6 p-10 -95.63 12.77 28.53 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.287 0.565 . . . . 10.0 110.344 178.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 86' ' ' ASN . . . . . 0.42 ' OD1' ' HB3' ' C' ' 88' ' ' LYS . 24.6 t-20 -140.53 105.03 4.88 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.64 -0.709 . . . . 10.0 110.374 179.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 87' ' ' THR . . . . . 0.411 ' O ' ' HG3' ' C' ' 91' ' ' GLU . 0.4 OUTLIER -61.04 -34.88 75.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.984 -179.6 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 88' ' ' LYS . . . . . 0.42 ' HB3' ' OD1' ' C' ' 86' ' ' ASN . 25.8 tptp -55.83 -43.76 77.28 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.355 -0.384 . . . . 10.0 111.09 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 18.8 m -65.0 -32.56 74.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.055 -0.521 . . . . 10.0 110.987 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -73.11 -34.26 66.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.888 0.375 . . . . 10.0 111.236 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 91' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' C' ' 87' ' ' THR . 33.6 mt-10 -77.01 -32.53 57.22 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.081 0.467 . . . . 10.0 110.548 179.703 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.36 -28.2 69.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.515 -0.766 . . . . 10.0 111.506 179.385 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 93' ' ' ILE . . . . . 0.598 HD11 ' HB3' ' C' ' 82' ' ' PHE . 51.2 mm -52.1 -41.78 33.5 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-N 115.876 -0.602 . . . . 10.0 111.499 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 94' ' ' HIS . . . . . 0.55 ' HA ' ' OH ' ' C' ' 137' ' ' TYR . 62.7 t60 -60.56 -54.37 46.26 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.959 -0.564 . . . . 10.0 111.135 -179.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 62.3 m-70 -62.42 -38.71 90.77 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.918 -179.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 96' ' ' TYR . . . . . 0.405 ' O ' HG13 ' C' ' 100' ' ' ILE . 4.6 m-85 -61.77 -44.99 95.8 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.819 179.416 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 97' ' ' ARG . . . . . 0.411 ' HA ' HD12 ' C' ' 100' ' ' ILE . 1.5 tmt_? -66.02 -41.16 91.32 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.998 -0.546 . . . . 10.0 111.332 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -61.94 -42.51 99.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.117 -0.492 . . . . 10.0 111.59 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 99' ' ' GLN . . . . . 0.483 ' O ' HG23 ' C' ' 103' ' ' VAL . 28.1 tt0 -64.27 -43.6 94.33 Favored 'General case' 0 C--O 1.226 -0.177 0 C-N-CA 120.768 -0.373 . . . . 10.0 110.593 179.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 100' ' ' ILE . . . . . 0.411 HD12 ' HA ' ' C' ' 97' ' ' ARG . 92.9 mt -54.38 -48.53 68.42 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-O 121.271 0.558 . . . . 10.0 110.141 179.259 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 35.0 mtmt -63.36 -38.64 91.94 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.402 -0.817 . . . . 10.0 111.398 -179.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -70.31 -46.13 64.88 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.17 -0.468 . . . . 10.0 111.361 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 103' ' ' VAL . . . . . 0.483 HG23 ' O ' ' C' ' 99' ' ' GLN . 87.3 t -62.13 -52.6 58.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.332 -0.394 . . . . 10.0 111.723 -179.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -80.16 -6.68 58.19 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.618 -0.264 . . . . 10.0 111.65 -179.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 5.6 t70 53.05 51.53 15.59 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.461 0.648 . . . . 10.0 110.841 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 4.8 m -145.03 158.91 43.67 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.619 -0.719 . . . . 10.0 110.102 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 26.8 tp10 -107.81 -28.42 9.67 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.378 0.609 . . . . 10.0 110.356 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.81 91.34 3.95 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.436 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 55.1 t -118.24 128.92 25.69 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.001 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -59.18 105.43 0.24 Allowed 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.753 2.302 . . . . 10.0 111.713 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 111' ' ' MET . . . . . 0.736 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 58.4 mtm -134.55 157.01 47.65 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.802 -179.288 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 45.1 t -142.36 132.01 22.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.543 -0.539 . . . . 10.0 109.543 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 22.5 tp -91.29 121.9 33.44 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.949 -0.389 . . . . 10.0 109.949 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 83.9 t -118.57 117.28 54.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.17 -0.468 . . . . 10.0 111.552 -178.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -91.83 112.3 4.16 Favored Glycine 0 N--CA 1.446 -0.685 0 N-CA-C 110.358 -1.097 . . . . 10.0 110.358 178.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 116' ' ' ASN . . . . . 0.458 ' ND2' ' HA3' ' C' ' 15' ' ' GLY . 63.2 t30 -96.13 164.39 12.7 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.674 0.237 . . . . 10.0 111.214 -178.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 95.2 mttt 65.27 33.11 9.43 Favored 'General case' 0 C--O 1.234 0.239 0 O-C-N 123.793 0.683 . . . . 10.0 111.648 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 118' ' ' CYS . . . . . 0.838 ' HA ' HD11 ' C' ' 84' ' ' ILE . 90.3 m -73.39 -8.09 54.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.2 -0.455 . . . . 10.0 112.126 -179.424 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -95.47 -5.56 42.68 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.795 0.331 . . . . 10.0 110.109 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 120' ' ' LEU . . . . . 0.541 HD11 ' N2 ' ' C' ' 201' ' ' GSP . 17.7 mt -87.01 127.77 58.27 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 10.0 110.746 179.456 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -67.31 158.33 57.51 Favored 'Trans proline' 0 C--O 1.237 0.431 0 C-N-CA 122.709 2.273 . . . . 10.0 112.253 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 50.4 m 63.55 59.62 1.19 Allowed 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.751 -0.659 . . . . 10.0 111.589 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 123' ' ' ARG . . . . . 0.866 ' HD3' HD12 ' C' ' 84' ' ' ILE . 12.5 ptt180 -85.48 128.16 34.65 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 116.143 -0.481 . . . . 10.0 110.174 179.549 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.85 -45.85 63.73 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.613 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 57.5 t -84.77 123.82 39.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.275 -0.42 . . . . 10.0 110.232 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 126' ' ' ASP . . . . . 0.409 ' OD1' ' HG3' ' C' ' 128' ' ' LYS . 11.6 t70 -92.67 151.69 19.95 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.19 -0.459 . . . . 10.0 109.947 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 1.6 m -56.2 -36.42 68.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.375 -0.375 . . . . 10.0 111.709 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 128' ' ' LYS . . . . . 0.409 ' HG3' ' OD1' ' C' ' 126' ' ' ASP . 33.4 mttp -54.91 -51.82 64.83 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.308 -0.406 . . . . 10.0 112.025 -179.268 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -72.4 -31.19 65.32 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.008 0.432 . . . . 10.0 111.431 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.49 -42.31 92.31 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.038 0.447 . . . . 10.0 109.944 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -73.47 -27.81 61.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.02 179.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -64.0 -47.65 79.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.216 178.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 27.0 tp -64.53 -38.94 92.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.697 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.76 -34.8 79.18 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.428 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 135' ' ' ARG . . . . . 0.45 HH11 ' HD2' ' C' ' 135' ' ' ARG . 30.7 ttm180 -60.95 -46.06 92.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.681 -0.69 . . . . 10.0 110.874 179.477 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 69.3 m -64.6 -37.39 87.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.038 0.447 . . . . 10.0 111.641 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 137' ' ' TYR . . . . . 0.55 ' OH ' ' HA ' ' C' ' 94' ' ' HIS . 9.4 m-30 -79.27 -21.1 46.57 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 116.358 -0.383 . . . . 10.0 111.753 -178.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 75.11 30.92 58.3 Favored Glycine 0 N--CA 1.452 -0.29 0 N-CA-C 111.073 -0.811 . . . . 10.0 111.073 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 43.7 pt -120.73 154.86 57.49 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 115.396 -0.402 . . . . 10.0 110.457 -179.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -78.02 143.67 20.66 Favored 'Trans proline' 0 N--CA 1.462 -0.358 0 C-N-CA 122.921 2.414 . . . . 10.0 112.156 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -122.16 134.05 54.73 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.605 -0.517 . . . . 10.0 109.605 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 142' ' ' ILE . . . . . 0.652 HD12 ' HA ' ' C' ' 155' ' ' ALA . 79.0 mt -135.73 133.61 51.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.802 0.334 . . . . 10.0 110.729 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -85.4 125.88 33.34 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 108.782 -0.822 . . . . 10.0 108.782 178.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 76.4 p -133.83 177.61 7.59 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.205 0.526 . . . . 10.0 112.037 -178.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 6.2 t -152.74 130.27 11.46 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.815 -0.809 . . . . 10.0 108.815 179.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -71.26 -21.43 62.1 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.152 0.501 . . . . 10.0 110.619 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 18.5 ttmt -81.01 -58.43 3.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.701 -0.681 . . . . 10.0 111.648 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -73.81 -22.68 59.71 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 113.314 0.857 . . . . 10.0 113.314 -177.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 149' ' ' ARG . . . . . 0.438 ' HG3' ' O ' ' C' ' 149' ' ' ARG . 15.4 tpt180 68.49 17.37 9.09 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 122.128 0.966 . . . . 10.0 109.703 -179.409 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -80.14 125.47 29.86 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.149 -0.932 . . . . 10.0 111.512 -179.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 71.67 -2.57 22.72 Favored Glycine 0 C--N 1.333 0.403 0 CA-C-N 116.011 -0.54 . . . . 10.0 114.372 178.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 72.8 t -63.62 -48.44 86.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 111.977 0.362 . . . . 10.0 111.977 -178.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.35 -38.93 91.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.785 0.326 . . . . 10.0 110.442 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -64.27 -41.36 96.95 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 155' ' ' ALA . . . . . 0.652 ' HA ' HD12 ' C' ' 142' ' ' ILE . . . -62.88 -45.46 92.44 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.668 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -64.17 -44.15 92.95 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.807 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -62.44 -39.99 95.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.531 179.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 84.1 m -59.04 -42.78 91.08 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.96 -0.563 . . . . 10.0 111.992 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 159' ' ' LEU . . . . . 0.42 HD22 HD13 ' C' ' 79' ' ' LEU . 45.5 tp -61.52 -43.67 98.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.959 0.409 . . . . 10.0 110.538 179.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 160' ' ' VAL . . . . . 0.576 HG11 HG13 ' C' ' 46' ' ' ILE . 46.5 t -65.28 -38.71 83.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.889 -0.596 . . . . 10.0 109.837 179.401 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -63.47 -38.09 89.81 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.701 -0.682 . . . . 10.0 110.995 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -61.87 -42.65 99.31 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.472 -0.331 . . . . 10.0 110.753 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 41.8 mt -64.42 -45.0 97.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-N 116.31 -0.405 . . . . 10.0 110.349 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 27.3 ttm180 -65.16 -38.13 89.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.996 0.427 . . . . 10.0 110.033 179.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 165' ' ' LYS . . . . . 0.473 ' HE2' ' HG3' ' B' ' 135' ' ' ARG . 36.9 ttmt -64.79 -43.48 93.07 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.644 -0.707 . . . . 10.0 109.545 179.348 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -56.83 -45.24 82.46 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.901 -0.59 . . . . 10.0 110.591 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -58.41 -47.72 83.0 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.211 -0.449 . . . . 10.0 110.638 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -62.48 -49.29 75.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.475 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 50.6 mtpt -60.21 -39.04 85.19 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.079 -0.51 . . . . 10.0 111.027 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 4.8 mmm -69.15 -29.55 67.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.994 -0.548 . . . . 10.0 111.318 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 31.2 m -69.83 -16.6 63.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.968 0.413 . . . . 10.0 111.011 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 18.4 mttm -101.37 -4.01 27.73 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.579 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 173' ' ' ASP . . . . . . . . . . . . . 16.9 t70 70.93 -66.82 0.28 Allowed 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.39 -0.823 . . . . 10.0 112.162 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . 157.33 -157.35 28.03 Favored Glycine 0 N--CA 1.443 -0.865 0 N-CA-C 111.141 -0.784 . . . . 10.0 111.141 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 175' ' ' LYS . . . . . . . . . . . . . 39.1 mttp -96.95 122.82 40.36 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.876 -0.416 . . . . 10.0 109.876 179.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 176' ' ' LYS . . . . . . . . . . . . . 37.0 tttp -99.11 7.63 45.68 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.176 0.512 . . . . 10.0 110.871 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 177' ' ' LYS . . . . . 0.631 ' HG2' ' H12' ' C' ' 212' ' ' PCW . 54.0 mtpt -77.4 -88.82 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.093 -0.503 . . . . 10.0 112.349 -179.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 178' ' ' LYS . . . . . . . . . . . . . 15.1 mtmt 60.29 30.83 20.16 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.563 0.696 . . . . 10.0 110.752 -179.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 179' ' ' LYS . . . . . . . . . . . . . 46.9 tttp -93.02 74.76 4.75 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.308 -0.86 . . . . 10.0 111.121 -179.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 180' ' ' LYS . . . . . . . . . . . . . 55.7 tttt -137.2 90.04 2.49 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.852 -0.796 . . . . 10.0 108.852 178.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 14.8 m -133.02 113.64 13.04 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.237 -179.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 182' ' ' LYS . . . . . 0.595 ' HA ' H341 ' C' ' 211' ' ' PCW . 34.0 mtmt -135.4 175.26 9.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.793 -0.64 . . . . 10.0 109.884 179.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 183' ' ' THR . . . . . 0.519 ' CG2' ' H37' ' A' ' 415' ' ' 17F . 11.4 t -146.54 30.19 1.01 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.799 0.809 . . . . 10.0 109.191 179.611 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 184' ' ' LYS . . . . . 0.406 ' HB2' ' HE3' ' C' ' 184' ' ' LYS . 36.9 ttmt . . . . . 0 C--O 1.237 0.408 0 CA-C-N 115.012 -0.995 . . . . 10.0 109.746 -178.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 401' ' ' PCW . . . . . 0.996 H451 H262 ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 402' ' ' PCW . . . . . 0.94 H162 H211 ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 403' ' ' PCW . . . . . 1.182 ' C31' H362 ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 404' ' ' PCW . . . . . 1.065 H352 ' H62' ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 405' ' ' PCW . . . . . 0.87 H361 ' C44' ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 406' ' ' PCW . . . . . 1.046 ' H39' H161 ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 407' ' ' PCW . . . . . 1.177 H212 ' C17' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 408' ' ' PCW . . . . . 0.927 H171 H232 ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 409' ' ' PCW . . . . . 1.14 ' C19' H142 ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 410' ' ' PCW . . . . . 1.041 H331 H122 ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 411' ' ' PCW . . . . . 0.927 H232 H171 ' A' ' 408' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 412' ' ' PCW . . . . . 0.814 H371 ' H39' ' A' ' 410' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 413' ' ' PCW . . . . . 0.839 ' C26' H181 ' A' ' 408' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 414' ' ' PCW . . . . . 1.053 H131 ' H33' ' A' ' 415' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 415' ' ' 17F . . . . . 1.053 ' H33' H131 ' A' ' 414' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 416' ' ' 17F . . . . . 0.938 ' H65' ' C27' ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 417' ' ' PCW . . . . . 1.011 H141 H341 ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 418' ' ' PCW . . . . . 1.071 H422 H212 ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 419' ' ' PCW . . . . . 0.985 ' C40' H441 ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 420' ' ' PCW . . . . . 1.057 H372 ' C43' ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 421' ' ' PCW . . . . . 1.039 H162 ' H57' ' D' ' 630' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 422' ' ' 17F . . . . . 1.034 ' H4A' H132 ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 601' ' ' PCW . . . . . 0.955 H421 ' C46' ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 602' ' ' PCW . . . . . 1.015 H362 ' H61' ' C' ' 214' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 603' ' ' PCW . . . . . 1.147 H222 H351 ' D' ' 611' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 604' ' ' PCW . . . . . 1.097 H451 H181 ' D' ' 606' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 605' ' ' PCW . . . . . 0.803 H172 H132 ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 606' ' ' PCW . . . . . 1.097 H181 H451 ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 607' ' ' PCW . . . . . 0.95 H451 H471 ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 608' ' ' PCW . . . . . 1.106 H181 ' H11' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 609' ' ' PCW . . . . . 1.06 H483 H472 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 610' ' ' PCW . . . . . 0.949 ' H42' ' O8 ' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 611' ' ' PCW . . . . . 1.147 H351 H222 ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 612' ' ' PCW . . . . . 1.06 ' C32' H352 ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 613' ' ' PCW . . . . . 1.071 H212 H422 ' A' ' 418' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 614' ' ' PCW . . . . . 1.017 H251 ' H47' ' B' ' 209' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 615' ' ' PCW . . . . . 0.996 H262 H451 ' A' ' 401' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 616' ' ' PCW . . . . . 0.958 H282 ' H46' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 617' ' ' PCW . . . . . 1.077 H341 H341 ' C' ' 216' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 618' ' ' PCW . . . . . 1.057 ' C43' H372 ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 619' ' ' PCW . . . . . 1.099 H422 H261 ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 620' ' ' PCW . . . . . 0.941 H411 H483 ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 621' ' ' PCW . . . . . 0.844 H283 ' H35' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 622' ' ' PCW . . . . . 1.034 H132 ' H4A' ' A' ' 422' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 623' ' ' PCW . . . . . 1.104 H322 ' C36' ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 624' ' ' PCW . . . . . 1.084 ' H19' H271 ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 625' ' ' PCW . . . . . 1.095 H451 H482 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 626' ' ' PCW . . . . . 1.095 H482 H451 ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 627' ' ' PCW . . . . . 1.099 H261 H422 ' D' ' 619' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 628' ' ' 17F . . . . . 0.996 ' H57' H19A ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 629' ' ' 17F . . . . . 1.106 ' H11' H181 ' D' ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 630' ' ' 17F . . . . . 1.039 ' H57' H162 ' A' ' 421' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 631' ' ' 17F . . . . . 0.949 ' O8 ' ' H42' ' D' ' 610' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 632' ' ' 17F . . . . . 1.109 ' H53' H161 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 201' ' ' GSP . . . . . 0.888 H5'2 ' HD1' ' B' ' 32' ' ' TYR . . . . . . . . 0 O4'--C1' 1.439 2.061 2 O4'-C1'-N19 113.038 4.838 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 202' ' ' ' MG' . . . . . 0.634 'MG ' ' O3G' ' B' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 203' ' ' PCW . . . . . 0.942 H211 H18A ' B' ' 209' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 204' ' ' PCW . . . . . 1.042 H431 H10A ' B' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 205' ' ' PCW . . . . . 1.061 ' H31' ' P ' ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 206' ' ' PCW . . . . . 0.962 ' H31' ' H42' ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 207' ' ' PCW . . . . . 0.999 ' H41' ' H31' ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 208' ' ' PCW . . . . . 1.084 H271 ' H19' ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 209' ' ' 17F . . . . . 1.017 ' H47' H251 ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 210' ' ' 17F . . . . . 1.042 H10A H431 ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 211' ' ' 17F . . . . . 1.017 ' H62' ' H12' ' B' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 201' ' ' GSP . . . . . 0.898 H5'2 ' CD1' ' C' ' 32' ' ' TYR . . . . . . . . 0 O4'--C1' 1.436 1.859 2 O4'-C1'-N19 113.012 4.812 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 202' ' ' ' MG' . . . . . 0.639 'MG ' ' O3G' ' C' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 203' ' ' PCW . . . . . 1.055 H132 H171 ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 204' ' ' PCW . . . . . 1.055 H132 ' H20' ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 205' ' ' PCW . . . . . 1.086 H432 ' H6 ' ' C' ' 215' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 206' ' ' PCW . . . . . 1.074 ' C20' ' H19' ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 207' ' ' PCW . . . . . 1.045 ' O1P' ' H31' ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 208' ' ' PCW . . . . . 1.109 H161 ' H53' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 209' ' ' PCW . . . . . 1.091 H162 ' H8 ' ' C' ' 214' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 210' ' ' PCW . . . . . 1.127 ' O31' H352 ' C' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 211' ' ' PCW . . . . . 1.085 ' H51' ' H12' ' C' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 212' ' ' PCW . . . . . 1.023 H122 ' H20' ' C' ' 215' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 213' ' ' 17F . . . . . 1.024 H20A H151 ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 214' ' ' 17F . . . . . 1.091 ' H8 ' H162 ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 215' ' ' 17F . . . . . 1.086 ' H6 ' H432 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 216' ' ' PCW . . . . . 1.077 H341 H341 ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 217' ' ' PCW . . . . . 0.878 H441 H272 ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 218' ' ' 17F . . . . . 1.107 ' H47' ' H39' ' C' ' 219' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 219' ' ' 17F . . . . . 1.107 ' H39' ' H47' ' C' ' 218' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 201' ' ' LEU . 12.4 mt . . . . . 0 C--O 1.232 0.166 0 CA-C-O 121.049 0.452 . . . . 10.0 110.548 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.81 -40.38 79.82 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.674 -0.694 . . . . 10.0 111.613 -179.191 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 47.3 mt -100.28 16.42 24.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.332 -0.395 . . . . 10.0 111.858 -178.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 67.1 mt -127.03 -53.84 1.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.889 0.376 . . . . 10.0 111.395 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -65.46 -47.54 75.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.832 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -73.76 -24.26 59.84 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.48 179.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 54.0 t90 -70.85 -28.19 64.39 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-N 115.604 -0.726 . . . . 10.0 109.511 179.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -61.05 -41.89 97.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.393 -0.821 . . . . 10.0 110.124 179.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 3.3 m -61.49 -36.99 82.04 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.222 -0.444 . . . . 10.0 110.771 179.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 24.5 t -64.08 -43.01 97.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 108.579 -0.897 . . . . 10.0 108.579 178.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 18.9 m -64.39 -40.25 95.45 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.223 -0.898 . . . . 10.0 110.138 179.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 5.2 m -63.05 -39.8 95.82 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.547 -0.538 . . . . 10.0 109.547 178.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 36.5 m -66.15 -47.55 73.66 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.815 -0.63 . . . . 10.0 110.228 179.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 214' ' ' PHE . . . . . 0.599 ' HE1' H162 ' A' ' 405' ' ' PCW . 5.2 m-85 -58.54 -40.2 82.31 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.372 -0.376 . . . . 10.0 111.147 179.404 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 215' ' ' SER . . . . . 0.467 ' O ' ' HG3' ' A' ' 219' ' ' GLU . 16.9 m -64.32 -47.83 77.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 10.0 109.959 179.024 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp -61.48 -41.13 96.8 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.992 0.425 . . . . 10.0 109.864 179.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 217' ' ' LEU . . . . . 0.5 ' O ' ' HG ' ' A' ' 221' ' ' LEU . 65.7 mt -63.22 -43.17 98.88 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.081 178.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 218' ' ' ARG . . . . . 0.601 ' HA ' HD12 ' A' ' 221' ' ' LEU . 19.2 mtt180 -64.89 -39.71 93.95 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 123.371 0.42 . . . . 10.0 110.982 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 219' ' ' GLU . . . . . 0.467 ' HG3' ' O ' ' A' ' 215' ' ' SER . 51.9 mt-10 -69.25 -32.58 71.88 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.959 0.409 . . . . 10.0 110.448 179.178 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 220' ' ' GLN . . . . . 0.41 ' O ' HG23 ' A' ' 224' ' ' VAL . 6.5 tp-100 -77.91 -30.45 50.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.488 -0.778 . . . . 10.0 110.129 179.122 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 221' ' ' LEU . . . . . 0.601 HD12 ' HA ' ' A' ' 218' ' ' ARG . 33.4 mt -55.81 -34.21 65.15 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 115.91 -0.586 . . . . 10.0 111.356 179.716 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -55.66 -70.61 0.91 Allowed Glycine 0 C--N 1.332 0.326 0 N-CA-C 111.1 -0.8 . . . . 10.0 111.1 178.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -51.06 -42.15 54.08 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.956 2.437 . . . . 10.0 112.005 178.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 224' ' ' VAL . . . . . 0.518 HG22 ' HD3' ' D' ' 550' ' ' LYS . 77.7 t -56.69 -55.32 20.32 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 CA-C-O 120.731 0.3 . . . . 10.0 110.958 179.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . 0.403 ' O ' ' HB2' ' A' ' 229' ' ' TRP . 17.7 p -65.77 -37.35 86.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.317 -0.401 . . . . 10.0 110.977 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -58.4 -50.65 72.93 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.095 0.474 . . . . 10.0 111.112 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -71.13 -40.53 71.36 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.907 -0.588 . . . . 10.0 111.34 -179.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 228' ' ' PHE . . . . . 0.562 ' HZ ' ' HE1' ' D' ' 547' ' ' TYR . 3.2 m-85 -66.22 -40.69 90.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.624 -0.262 . . . . 10.0 111.655 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 229' ' ' TRP . . . . . 0.403 ' HB2' ' O ' ' A' ' 225' ' ' THR . 1.0 OUTLIER -61.64 -38.7 88.66 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.765 -0.457 . . . . 10.0 109.765 178.895 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -67.92 -43.78 78.39 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.584 -0.524 . . . . 10.0 109.584 178.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 231' ' ' ASN . . . . . 0.85 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 67.7 m-20 -62.21 -40.28 95.58 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.899 -0.591 . . . . 10.0 109.92 178.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 67.9 mt -66.25 -39.73 89.68 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.179 -0.674 . . . . 10.0 109.179 178.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 233' ' ' GLU . . . . . 0.575 ' HA ' ' OG1' ' A' ' 236' ' ' THR . 12.7 mm-40 -65.04 -29.92 70.85 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.852 -0.613 . . . . 10.0 111.169 179.218 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 234' ' ' LYS . . . . . 0.85 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 37.3 mttt -67.55 -39.29 84.96 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.434 -0.951 . . . . 10.0 108.434 177.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.15 -46.63 64.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 114.823 -1.08 . . . . 10.0 110.366 179.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 236' ' ' THR . . . . . 0.575 ' OG1' ' HA ' ' A' ' 233' ' ' GLU . 2.8 p -64.3 -36.46 84.19 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 116.311 -0.404 . . . . 10.0 110.082 179.371 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 237' ' ' GLU . . . . . 0.508 ' HB2' ' O ' ' A' ' 233' ' ' GLU . 2.8 tp10 -60.38 -46.54 89.62 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 108.277 -1.008 . . . . 10.0 108.277 177.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 238' ' ' GLY . . . . . 0.414 ' O ' ' HG3' ' A' ' 242' ' ' GLU . . . -58.98 -46.67 93.35 Favored Glycine 0 N--CA 1.44 -1.054 0 N-CA-C 110.245 -1.142 . . . . 10.0 110.245 178.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 71.4 mt -63.98 -29.92 71.04 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.504 0.187 . . . . 10.0 111.504 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 52.7 mtt180 -69.13 -39.29 78.97 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.056 -0.72 . . . . 10.0 109.056 178.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -74.54 -39.48 62.3 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.034 -0.728 . . . . 10.0 109.034 178.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 242' ' ' GLU . . . . . 0.414 ' HG3' ' O ' ' A' ' 238' ' ' GLY . 12.9 mt-10 -66.05 -21.79 66.4 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.46 -0.791 . . . . 10.0 110.06 178.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 243' ' ' MET . . . . . 0.845 ' HG3' HD12 ' A' ' 247' ' ' LEU . 49.7 ttm -61.17 -35.54 77.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.38 0.61 . . . . 10.0 109.924 178.622 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 2.1 m -76.27 0.23 20.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.329 -0.85 . . . . 10.0 111.118 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 245' ' ' LYS . . . . . 0.562 ' O ' ' HB2' ' A' ' 249' ' ' GLU . 99.3 mttt -119.34 -60.88 1.69 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.411 -0.589 . . . . 10.0 109.411 178.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 246' ' ' ASP . . . . . 0.612 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 0.3 OUTLIER -58.6 -59.08 5.95 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.52 -0.764 . . . . 10.0 111.501 -179.47 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 247' ' ' LEU . . . . . 0.845 HD12 ' HG3' ' A' ' 243' ' ' MET . 95.7 mt -78.44 -48.65 14.99 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.807 0.669 . . . . 10.0 112.807 -178.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -58.94 -48.76 80.34 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.997 0.74 . . . . 10.0 112.997 -179.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 249' ' ' GLU . . . . . 0.562 ' HB2' ' O ' ' A' ' 245' ' ' LYS . 43.8 mt-10 -71.53 -32.16 67.85 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.855 -0.338 . . . . 10.0 111.666 -179.368 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 250' ' ' VAL . . . . . 0.707 HG11 H271 ' A' ' 412' ' ' PCW . 1.1 p -70.29 -30.17 42.21 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 C-N-CA 120.505 -0.478 . . . . 10.0 110.138 178.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . 0.403 ' O ' HG12 ' A' ' 254' ' ' VAL . 69.5 tttt -82.15 -28.53 32.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.081 179.102 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -75.24 -39.97 59.42 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.168 -0.678 . . . . 10.0 109.168 178.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 47.2 mttt -81.63 -18.6 44.07 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.488 -0.778 . . . . 10.0 110.975 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 254' ' ' VAL . . . . . 0.577 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.3 OUTLIER -61.61 -27.22 41.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.789 0.328 . . . . 10.0 110.767 179.811 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 255' ' ' GLN . . . . . 0.549 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 71.6 mt-30 -61.92 -65.57 2.07 Favored Pre-proline 0 CA--C 1.531 0.25 0 CA-C-N 115.966 -0.561 . . . . 10.0 111.007 179.445 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 256' ' ' PRO . . . . . 0.549 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 38.2 Cg_endo -66.33 -33.37 38.79 Favored 'Trans proline' 0 C--N 1.355 0.91 0 C-N-CA 122.151 1.901 . . . . 10.0 112.599 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 5.4 m-30 -63.76 -49.54 72.57 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.455 -0.338 . . . . 10.0 110.753 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 44.9 mt -73.36 -30.93 63.65 Favored 'General case' 0 C--O 1.221 -0.419 0 N-CA-C 110.04 -0.356 . . . . 10.0 110.04 178.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 259' ' ' ASP . . . . . 0.43 ' HB3' ' HA ' ' A' ' 256' ' ' PRO . 5.9 t70 -60.56 -54.55 44.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.501 179.476 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -62.11 -47.18 85.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.864 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 2.8 m-30 -61.51 -40.46 94.69 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.187 -0.461 . . . . 10.0 111.652 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -68.13 -43.3 78.64 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.592 -0.276 . . . . 10.0 110.704 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 263' ' ' LYS . . . . . 0.45 ' O ' ' HG3' ' A' ' 267' ' ' GLU . 38.3 mtmt -62.26 -46.1 90.34 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.64 -0.504 . . . . 10.0 109.64 179.16 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 264' ' ' LYS . . . . . 0.694 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 73.6 mttt -62.59 -37.74 87.42 Favored 'General case' 0 C--O 1.223 -0.302 0 N-CA-C 109.715 -0.476 . . . . 10.0 109.715 178.362 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -64.41 -42.5 96.03 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 109.269 -0.641 . . . . 10.0 109.269 178.701 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -64.0 -42.83 97.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.597 -0.728 . . . . 10.0 109.493 178.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 267' ' ' GLU . . . . . 0.45 ' HG3' ' O ' ' A' ' 263' ' ' LYS . 48.3 mt-10 -64.48 -43.65 93.49 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.328 -0.619 . . . . 10.0 109.328 178.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 268' ' ' GLU . . . . . 0.434 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 27.2 mt-10 -59.67 -43.76 93.86 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.197 178.578 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 80.9 mmm -66.67 -39.92 88.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.492 . . . . 10.0 110.716 179.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -60.01 -48.3 82.27 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.514 -0.55 . . . . 10.0 109.514 178.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 95.4 mt -62.47 -42.8 99.74 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.971 -0.559 . . . . 10.0 110.386 179.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 272' ' ' TYR . . . . . 0.449 ' HD1' ' HA ' ' A' ' 272' ' ' TYR . 0.1 OUTLIER -65.42 -35.52 81.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.011 -0.541 . . . . 10.0 111.159 179.887 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 48.3 mtt180 -75.29 -37.44 60.87 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.148 0.499 . . . . 10.0 110.326 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -72.42 -17.92 61.76 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.596 179.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 275' ' ' LYS . . . . . 0.567 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 8.1 mptt -98.1 -37.32 9.78 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.232 -0.44 . . . . 10.0 111.189 179.266 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 5.4 p -56.75 -32.5 38.27 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.292 0 N-CA-C 112.624 0.602 . . . . 10.0 112.624 -178.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 83.4 mt-10 -67.03 -61.12 5.16 Favored Pre-proline 0 CA--C 1.534 0.36 0 N-CA-C 112.326 0.491 . . . . 10.0 112.326 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -61.43 -35.77 81.3 Favored 'Trans proline' 0 C--N 1.354 0.865 0 C-N-CA 121.756 1.637 . . . . 10.0 111.632 178.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 279' ' ' LEU . . . . . 0.64 ' O ' ' HG ' ' A' ' 283' ' ' LEU . 63.4 mt -66.8 -43.39 84.0 Favored 'General case' 0 CA--C 1.522 -0.132 0 CA-C-O 120.702 0.287 . . . . 10.0 110.248 179.281 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -58.97 -35.21 72.8 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 116.094 -0.503 . . . . 10.0 109.799 178.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -59.87 -50.88 72.04 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.014 178.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -62.92 -42.43 99.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.693 -0.685 . . . . 10.0 110.238 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 283' ' ' LEU . . . . . 0.64 ' HG ' ' O ' ' A' ' 279' ' ' LEU . 43.9 mt -65.09 -38.23 90.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.073 -0.512 . . . . 10.0 111.089 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -71.72 -54.67 9.55 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.377 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -61.36 -39.5 90.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.329 -0.396 . . . . 10.0 111.057 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -65.69 -44.35 92.62 Favored Glycine 0 N--CA 1.446 -0.679 0 N-CA-C 110.223 -1.151 . . . . 10.0 110.223 178.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -64.94 -39.57 93.71 Favored 'General case' 0 C--O 1.224 -0.27 0 N-CA-C 109.866 -0.42 . . . . 10.0 109.866 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -55.44 -47.0 76.69 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.154 -0.475 . . . . 10.0 109.833 178.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -68.33 -50.6 52.18 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.738 179.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 290' ' ' LYS . . . . . 0.431 ' O ' ' HG ' ' A' ' 294' ' ' LEU . 78.2 mttt -58.28 -43.81 88.15 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.288 0.477 . . . . 10.0 112.288 -179.215 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 88.3 mt -66.61 -42.76 86.33 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.718 0.294 . . . . 10.0 110.439 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 292' ' ' HIS . . . . . 0.409 ' O ' ' HG2' ' A' ' 296' ' ' GLU . 0.5 OUTLIER -65.17 -38.75 91.52 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.365 -0.606 . . . . 10.0 109.365 178.88 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 293' ' ' GLU . . . . . 0.472 ' O ' ' HG2' ' A' ' 297' ' ' LYS . 1.1 tp10 -60.19 -40.84 91.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.58 -0.736 . . . . 10.0 109.727 179.093 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 294' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 290' ' ' LYS . 87.5 mt -71.42 -35.4 70.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.739 -0.664 . . . . 10.0 110.0 179.111 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -67.39 -31.41 71.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.033 179.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 296' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' ' 292' ' ' HIS . 75.8 mm-40 -68.24 -10.39 54.23 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.764 -0.653 . . . . 10.0 109.994 178.486 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . 0.584 ' HB3' HD12 ' A' ' 301' ' ' LEU . 64.6 mmtt -107.48 -47.46 3.63 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.127 -0.694 . . . . 10.0 109.127 178.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 86.5 mt -59.54 -25.28 64.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.773 -0.649 . . . . 10.0 112.439 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 299' ' ' SER . . . . . 0.57 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 15.2 m -77.03 -66.07 0.35 Allowed Pre-proline 0 C--N 1.322 -0.594 0 CA-C-O 119.351 -0.357 . . . . 10.0 111.957 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 300' ' ' PRO . . . . . 0.57 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 39.6 Cg_endo -68.91 -50.0 0.63 Allowed 'Trans proline' 0 C--N 1.356 0.97 0 C-N-CA 121.654 1.569 . . . . 10.0 112.624 -179.745 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 301' ' ' LEU . . . . . 0.629 HD13 ' HG2' ' D' ' 473' ' ' LYS . 85.2 mt -65.83 -32.02 73.31 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 120.752 0.311 . . . . 10.0 110.512 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 302' ' ' GLY . . . . . 0.516 ' O ' ' HG3' ' A' ' 306' ' ' ARG . . . -70.32 -43.82 61.4 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 110.739 -0.945 . . . . 10.0 110.739 178.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -62.35 -45.9 91.07 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.023 -0.732 . . . . 10.0 109.023 178.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -62.61 -38.64 90.96 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.356 -0.838 . . . . 10.0 109.239 178.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 305' ' ' MET . . . . . 0.404 ' SD ' HD13 ' D' ' 469' ' ' LEU . 11.6 tpt -62.75 -39.36 93.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.429 179.106 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 306' ' ' ARG . . . . . 0.516 ' HG3' ' O ' ' A' ' 302' ' ' GLY . 47.1 mtt180 -63.71 -40.43 96.76 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.006 -0.543 . . . . 10.0 109.659 178.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -70.14 -36.58 74.86 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.213 179.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 308' ' ' ARG . . . . . 0.464 ' HD2' ' OE2' ' D' ' 465' ' ' GLU . 8.4 mmt85 -69.2 -35.5 76.29 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.229 -0.656 . . . . 10.0 109.229 178.256 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 309' ' ' ALA . . . . . 0.512 ' O ' HG23 ' A' ' 313' ' ' VAL . . . -62.72 -40.27 96.66 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 108.331 -0.989 . . . . 10.0 108.331 178.046 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 310' ' ' ARG . . . . . 0.516 ' HG3' ' O ' ' A' ' 306' ' ' ARG . 76.8 mtt180 -59.1 -49.47 77.77 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-N 115.308 -0.86 . . . . 10.0 108.75 178.077 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -60.77 -39.44 88.82 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.748 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -60.47 -54.01 50.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.893 -0.594 . . . . 10.0 109.993 179.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 313' ' ' VAL . . . . . 0.799 HG12 ' HE ' ' A' ' 317' ' ' ARG . 9.5 t -71.94 -26.38 25.37 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.24 0 CA-C-N 115.629 -0.714 . . . . 10.0 111.272 -179.453 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -64.2 -49.3 72.55 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 109.25 -0.648 . . . . 10.0 109.25 178.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -64.41 -37.38 87.31 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.669 -0.696 . . . . 10.0 109.209 178.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 316' ' ' LEU . . . . . 0.756 HD11 H283 ' D' ' 602' ' ' PCW . 29.3 mt -63.82 -51.96 62.36 Favored 'General case' 0 C--O 1.22 -0.48 0 CA-C-N 115.685 -0.689 . . . . 10.0 110.1 179.106 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 317' ' ' ARG . . . . . 0.799 ' HE ' HG12 ' A' ' 313' ' ' VAL . 32.4 mtm180 -63.11 -43.52 98.2 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.799 0.296 . . . . 10.0 111.799 -179.474 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 26.0 m -63.39 -30.71 71.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.823 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 14.6 m170 -90.18 -33.62 16.14 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.985 -0.286 . . . . 10.0 111.68 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 31.7 mt -67.89 -31.09 70.64 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.944 0.35 . . . . 10.0 111.944 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 321' ' ' ALA . . . . . 0.409 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -55.36 -60.01 9.51 Favored Pre-proline 0 CA--C 1.536 0.411 0 N-CA-C 111.975 0.361 . . . . 10.0 111.975 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . 0.409 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 40.8 Cg_endo -69.53 -28.04 26.85 Favored 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 121.274 1.316 . . . . 10.0 111.489 178.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 323' ' ' TYR . . . . . 0.481 ' CD1' ' HE3' ' D' ' 451' ' ' LYS . 10.6 m-30 -66.9 -47.93 70.3 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 116.5 -0.318 . . . . 10.0 111.166 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 324' ' ' SER . . . . . 0.477 ' HA ' HD12 ' A' ' 327' ' ' LEU . 22.0 p -65.57 -36.97 85.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.792 0.33 . . . . 10.0 110.35 179.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -62.74 -38.55 90.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.175 0.512 . . . . 10.0 109.621 178.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -72.54 -31.9 65.65 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 109.258 -0.645 . . . . 10.0 109.258 178.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . 0.477 HD12 ' HA ' ' A' ' 324' ' ' SER . 53.5 mt -64.91 -32.84 74.74 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 108.89 -0.782 . . . . 10.0 108.89 177.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 328' ' ' ARG . . . . . 0.403 ' HG3' ' O ' ' A' ' 324' ' ' SER . 69.9 mtt180 -64.05 -44.0 93.79 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 108.645 -0.872 . . . . 10.0 108.645 178.254 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -64.35 -38.38 90.84 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.537 -0.756 . . . . 10.0 109.477 178.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 330' ' ' ARG . . . . . 0.443 ' NH2' ' HA ' ' D' ' 444' ' ' ASP . 35.0 mtt-85 -63.8 -50.55 68.5 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 109.15 -0.685 . . . . 10.0 109.15 178.613 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 48.6 mt -58.59 -43.85 89.65 Favored 'General case' 0 C--O 1.223 -0.341 0 CA-C-N 115.441 -0.8 . . . . 10.0 110.077 178.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -63.22 -52.48 62.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.666 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -58.92 -42.94 90.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 10.0 110.859 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 334' ' ' ARG . . . . . 0.468 ' O ' ' HG ' ' A' ' 338' ' ' LEU . 49.7 mtt-85 -66.77 -43.57 83.7 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.234 179.216 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 335' ' ' LEU . . . . . 0.45 ' HB3' ' HE3' ' A' ' 339' ' ' LYS . 30.8 mt -61.03 -43.38 98.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.598 -0.273 . . . . 10.0 110.709 178.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -62.93 -42.46 99.81 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.71 0.29 . . . . 10.0 110.413 179.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -63.5 -40.38 96.9 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.341 -0.614 . . . . 10.0 109.341 178.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 338' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 334' ' ' ARG . 96.0 mt -70.62 -17.78 62.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.111 -0.95 . . . . 10.0 110.6 178.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 339' ' ' LYS . . . . . 0.45 ' HE3' ' HB3' ' A' ' 335' ' ' LEU . 68.6 mttt -86.0 -47.65 9.39 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.372 -0.603 . . . . 10.0 109.372 178.476 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -60.33 -55.18 36.72 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.762 -0.654 . . . . 10.0 109.677 178.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -73.24 -31.34 64.07 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.666 -0.697 . . . . 10.0 110.486 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 342' ' ' GLY . . . . . 0.417 ' HA3' ' O ' ' A' ' 338' ' ' LEU . . . -63.13 -47.84 84.9 Favored Glycine 0 N--CA 1.454 -0.116 0 C-N-CA 120.994 -0.622 . . . . 10.0 111.875 179.654 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -60.39 -41.24 98.44 Favored Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 110.887 -0.885 . . . . 10.0 110.887 178.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -65.51 -44.42 87.05 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.701 -0.481 . . . . 10.0 109.701 178.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 10.1 mtm180 -60.62 -46.47 90.17 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.647 179.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 91.9 mt -59.91 -47.82 84.22 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.209 -0.451 . . . . 10.0 110.915 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.58 -49.04 79.13 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.499 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -63.73 -40.1 95.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.852 179.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -61.96 -43.97 97.74 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.426 -0.352 . . . . 10.0 110.319 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 48.0 m-70 -70.48 -34.83 72.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.378 -0.373 . . . . 10.0 110.441 179.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -65.63 -47.38 75.81 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.036 -0.727 . . . . 10.0 109.036 178.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 10.7 mtmm -63.29 -37.23 86.44 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 115.554 -0.748 . . . . 10.0 109.537 178.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . 0.465 ' O ' ' HG ' ' A' ' 357' ' ' LEU . . . -65.07 -37.92 89.09 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.709 -0.678 . . . . 10.0 109.638 179.096 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 40.3 m -63.77 -47.06 82.48 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.224 -0.443 . . . . 10.0 109.819 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -64.32 -36.98 85.9 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.191 0.519 . . . . 10.0 109.856 178.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 356' ' ' HIS . . . . . 0.662 ' CD2' H222 ' A' ' 401' ' ' PCW . 15.7 t60 -67.31 -35.38 79.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.436 -0.802 . . . . 10.0 109.833 178.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 357' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 353' ' ' ALA . 56.2 mt -68.26 -36.41 79.39 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.525 178.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 15.8 m -64.35 -46.33 83.91 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.744 -0.465 . . . . 10.0 109.744 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.48 -26.21 62.6 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.186 0.517 . . . . 10.0 110.168 179.07 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 31.3 tp -71.99 -31.0 65.83 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 108.835 -0.802 . . . . 10.0 108.835 178.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 49.1 m -68.16 -28.66 67.48 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.55 -0.75 . . . . 10.0 109.303 178.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 362' ' ' GLU . . . . . 0.423 ' O ' ' HD2' ' A' ' 366' ' ' PRO . 36.5 mm-40 -68.2 -25.82 65.41 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 108.765 -0.828 . . . . 10.0 108.765 177.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 363' ' ' LYS . . . . . 0.816 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 96.2 mttt -88.33 -32.05 18.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.437 -0.801 . . . . 10.0 109.893 178.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 364' ' ' ALA . . . . . 0.58 ' HA ' HD12 ' A' ' 368' ' ' LEU . . . -78.73 -39.52 36.05 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.9 0.704 . . . . 10.0 112.9 -178.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 365' ' ' LYS . . . . . 1.017 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 73.7 mttt -93.62 -74.29 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 113.057 0.762 . . . . 10.0 113.057 -179.296 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 366' ' ' PRO . . . . . 1.017 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 34.6 Cg_exo -63.11 -57.4 0.41 Allowed 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 122.18 1.92 . . . . 10.0 113.481 -179.131 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 367' ' ' ALA . . . . . 0.816 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -57.45 -49.26 76.83 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 113.079 0.77 . . . . 10.0 113.079 -178.388 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 368' ' ' LEU . . . . . 0.58 HD12 ' HA ' ' A' ' 364' ' ' ALA . 11.0 mt -64.36 -41.14 96.89 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.698 0.259 . . . . 10.0 111.698 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -62.35 -46.36 89.03 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.348 -0.612 . . . . 10.0 109.348 178.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -57.52 -43.09 83.99 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.632 -0.713 . . . . 10.0 110.204 178.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 13.2 mt -60.47 -48.83 80.03 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.028 178.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 372' ' ' ARG . . . . . 0.505 ' O ' ' HG ' ' A' ' 376' ' ' LEU . 78.0 mtt180 -63.29 -40.45 97.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.062 -0.517 . . . . 10.0 111.065 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -61.07 -41.85 97.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.399 179.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -75.74 -23.68 71.9 Favored Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.68 -0.691 . . . . 10.0 112.35 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 20.7 mt -81.81 -26.67 34.16 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.027 0.38 . . . . 10.0 112.027 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 376' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 372' ' ' ARG . 89.2 mt -50.47 -58.92 8.35 Favored Pre-proline 0 CA--C 1.535 0.37 0 N-CA-C 112.541 0.571 . . . . 10.0 112.541 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -67.47 -28.98 38.15 Favored 'Trans proline' 0 C--N 1.357 0.975 0 C-N-CA 121.892 1.728 . . . . 10.0 111.387 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 378' ' ' VAL . . . . . 0.432 ' O ' ' HB2' ' A' ' 382' ' ' PHE . 44.5 t -63.81 -42.2 95.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.223 179.486 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 82.0 mt -62.66 -36.7 83.7 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.585 -0.524 . . . . 10.0 109.585 179.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 380' ' ' GLU . . . . . 0.546 ' O ' HG23 ' A' ' 384' ' ' VAL . 22.3 mt-10 -68.58 -51.76 39.11 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.668 -0.697 . . . . 10.0 110.921 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 10.8 p -62.98 -35.1 79.05 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.009 0.433 . . . . 10.0 110.732 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 382' ' ' PHE . . . . . 0.432 ' HB2' ' O ' ' A' ' 378' ' ' VAL . 1.7 t80 -66.87 -40.65 87.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.168 -0.469 . . . . 10.0 109.812 178.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -62.59 -39.96 95.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.033 -0.53 . . . . 10.0 110.656 179.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 384' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 380' ' ' GLU . 50.8 t -57.9 -50.95 76.13 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-O 120.939 0.4 . . . . 10.0 109.922 179.217 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 14.8 m -68.62 -30.85 69.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.825 -0.625 . . . . 10.0 111.459 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -71.06 -47.41 58.59 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.539 -0.3 . . . . 10.0 110.733 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 387' ' ' LEU . . . . . 0.427 ' O ' ' HG3' ' A' ' 391' ' ' GLU . 94.7 mt -60.82 -43.72 97.85 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.522 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 388' ' ' SER . . . . . 0.821 ' HB2' ' HE2' ' D' ' 594' ' ' LYS . 3.3 p -66.74 -37.19 84.17 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.47 179.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -63.77 -40.23 96.18 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.978 0.418 . . . . 10.0 110.111 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 81.2 mt -62.89 -38.8 92.35 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.428 -0.582 . . . . 10.0 109.428 178.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 391' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' A' ' 387' ' ' LEU . 51.5 mt-10 -69.62 -38.29 77.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.637 -0.71 . . . . 10.0 109.562 178.5 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -55.3 -47.9 74.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.38 178.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -64.18 -44.5 91.84 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.543 -0.753 . . . . 10.0 110.119 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . 0.417 ' O ' ' HB3' ' A' ' 398' ' ' ASN . 14.3 m -65.24 -34.69 78.96 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.093 -0.503 . . . . 10.0 111.958 -179.376 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -75.99 -35.91 59.42 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.713 0.635 . . . . 10.0 112.713 -179.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 396' ' ' LYS . . . . . 0.648 ' HG2' ' HB2' ' D' ' 587' ' ' ALA . 0.1 OUTLIER -93.5 -28.36 16.12 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 113.914 1.079 . . . . 10.0 113.914 -178.352 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 92.2 mt -98.45 0.74 45.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.776 0.322 . . . . 10.0 111.635 -179.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 398' ' ' ASN . . . . . 0.417 ' HB3' ' O ' ' A' ' 394' ' ' THR . 28.4 t30 . . . . . 0 C--N 1.321 -0.657 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.777 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.456 -0.171 0 CA-C-O 120.836 0.35 . . . . 10.0 110.391 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 400' ' ' LYS . . . . . 0.416 ' NZ ' ' HB2' ' D' ' 400' ' ' LYS . 0.0 OUTLIER -86.94 36.57 0.73 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.05 -179.767 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 75.7 mt -68.61 -43.54 76.19 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.613 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 402' ' ' LEU . . . . . 0.491 HD12 ' H ' ' D' ' 402' ' ' LEU . 5.4 mp -64.58 -32.43 74.08 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.967 -0.561 . . . . 10.0 110.594 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -63.43 -56.44 16.17 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.668 -0.697 . . . . 10.0 109.838 179.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 404' ' ' ASN . . . . . 0.404 ' O ' HG23 ' D' ' 408' ' ' VAL . 63.2 t30 -61.99 -37.64 85.59 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.928 -0.578 . . . . 10.0 109.977 179.501 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -59.29 -40.71 87.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.793 -0.639 . . . . 10.0 110.911 179.227 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -64.23 -44.14 92.78 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 109.951 -0.389 . . . . 10.0 109.951 179.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 5.1 m -59.78 -45.54 91.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.273 178.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 408' ' ' VAL . . . . . 0.404 HG23 ' O ' ' D' ' 404' ' ' ASN . 70.6 t -60.37 -45.32 96.73 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.145 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.381 179.095 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 24.1 m -62.32 -35.14 78.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.07 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 14.4 m -66.84 -34.21 77.31 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.224 179.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 411' ' ' THR . . . . . 0.479 HG22 ' HE2' ' A' ' 363' ' ' LYS . 0.1 OUTLIER -71.32 -27.73 63.6 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 109.509 -0.552 . . . . 10.0 109.509 178.668 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -70.88 -37.21 73.03 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 108.725 -0.842 . . . . 10.0 108.725 177.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 13.0 m -61.86 -43.85 98.01 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 108.97 -0.752 . . . . 10.0 108.97 177.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 414' ' ' LYS . . . . . 0.451 ' HD3' ' HA ' ' D' ' 414' ' ' LYS . 58.3 mmtt -65.41 -28.64 69.4 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.123 -0.49 . . . . 10.0 110.262 178.63 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.04 -45.57 66.84 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 108.29 -1.004 . . . . 10.0 108.29 178.055 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 74.8 mtt180 -63.11 -32.76 74.21 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.412 -0.813 . . . . 10.0 110.219 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -62.87 -38.84 92.47 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.319 0.58 . . . . 10.0 109.865 178.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 418' ' ' GLN . . . . . 0.573 ' O ' ' HB ' ' D' ' 422' ' ' VAL . 46.0 mt-30 -76.55 -37.33 56.8 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.687 -0.688 . . . . 10.0 110.473 179.523 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 62.2 mt -71.04 9.97 0.63 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.008 -0.542 . . . . 10.0 112.174 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -99.97 -79.99 1.48 Allowed Glycine 0 N--CA 1.444 -0.784 0 N-CA-C 110.919 -0.872 . . . . 10.0 110.919 178.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 421' ' ' PRO . . . . . 0.469 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 25.6 Cg_exo -65.31 -41.3 16.36 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.7 2.267 . . . . 10.0 112.203 179.445 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 422' ' ' VAL . . . . . 0.573 ' HB ' ' O ' ' D' ' 418' ' ' GLN . 83.1 t -57.52 -41.45 78.92 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.168 0 N-CA-C 112.381 0.512 . . . . 10.0 112.381 -179.172 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 6.4 p -68.17 -41.15 81.91 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.553 -0.459 . . . . 10.0 110.144 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -62.05 -48.25 81.06 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.796 179.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 425' ' ' GLU . . . . . 0.469 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 11.9 pt-20 -70.69 -32.26 69.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.044 -0.526 . . . . 10.0 110.672 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 426' ' ' PHE . . . . . 0.419 ' O ' ' HG ' ' D' ' 430' ' ' LEU . 24.4 t80 -66.72 -38.32 86.48 Favored 'General case' 0 CA--C 1.52 -0.208 0 N-CA-C 109.175 -0.676 . . . . 10.0 109.175 178.449 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 11.4 m0 -65.82 -39.77 91.19 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.26 -0.644 . . . . 10.0 109.26 178.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -66.25 -38.03 86.88 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.618 -0.882 . . . . 10.0 108.618 178.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -64.11 -47.62 79.29 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.757 -0.831 . . . . 10.0 108.757 177.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 430' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' D' ' 426' ' ' PHE . 74.9 mt -61.39 -37.07 82.09 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.529 -0.759 . . . . 10.0 109.725 179.186 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -61.76 -43.53 98.67 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.222 -0.658 . . . . 10.0 109.222 178.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 23.9 mttp -61.9 -42.91 99.63 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 108.679 -0.86 . . . . 10.0 108.679 178.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -63.0 -45.13 93.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.663 -0.699 . . . . 10.0 110.275 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 6.6 m -62.59 -46.45 88.26 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 110.067 -0.346 . . . . 10.0 110.067 179.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 435' ' ' GLU . . . . . 0.481 ' OE1' ' HD2' ' D' ' 438' ' ' ARG . 4.6 mm-40 -64.47 -43.27 94.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.942 179.467 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -64.06 -43.58 97.09 Favored Glycine 0 N--CA 1.452 -0.296 0 N-CA-C 110.86 -0.896 . . . . 10.0 110.86 178.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 84.2 mt -66.57 -31.65 72.49 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.989 -0.375 . . . . 10.0 109.989 178.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 438' ' ' ARG . . . . . 0.481 ' HD2' ' OE1' ' D' ' 435' ' ' GLU . 50.6 mtt180 -62.75 -35.83 81.06 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 109.952 -0.388 . . . . 10.0 109.952 178.589 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -65.46 -35.77 81.89 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 109.153 -0.684 . . . . 10.0 109.153 178.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 78.1 mt-10 -75.2 -49.83 18.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.862 -0.608 . . . . 10.0 109.63 178.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 97.7 mmm -58.88 -40.28 83.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.741 -0.663 . . . . 10.0 112.76 -178.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 5.7 p -61.56 -49.92 74.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.894 0.378 . . . . 10.0 110.048 179.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -65.15 -39.71 93.35 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.001 -0.545 . . . . 10.0 109.865 179.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 444' ' ' ASP . . . . . 0.443 ' HA ' ' NH2' ' A' ' 330' ' ' ARG . 9.2 t70 -60.76 -56.68 18.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.545 -0.752 . . . . 10.0 111.119 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 86.5 mt -65.83 -43.29 89.01 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.882 -0.599 . . . . 10.0 112.501 -178.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -61.98 -45.3 94.25 Favored 'General case' 0 CA--C 1.518 -0.27 0 C-N-CA 120.764 -0.374 . . . . 10.0 110.312 179.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 447' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -68.49 -36.33 78.78 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.918 -0.401 . . . . 10.0 109.918 178.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 2.0 t -55.19 -39.64 52.04 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.05 0 CA-C-O 120.845 0.355 . . . . 10.0 110.358 179.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -60.78 -39.7 89.82 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.217 0.532 . . . . 10.0 110.196 178.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -89.85 0.39 57.07 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.751 -0.659 . . . . 10.0 111.642 -179.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 451' ' ' LYS . . . . . 0.481 ' HE3' ' CD1' ' A' ' 323' ' ' TYR . 5.3 mmmm -107.2 -45.45 4.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.594 0.235 . . . . 10.0 110.895 179.523 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 82.6 t -64.85 -36.23 77.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.397 -0.365 . . . . 10.0 111.227 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -57.62 -60.9 8.43 Favored Pre-proline 0 CA--C 1.536 0.408 0 C-N-CA 121.06 -0.256 . . . . 10.0 111.644 179.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -66.86 -30.35 40.46 Favored 'Trans proline' 0 C--N 1.353 0.809 0 C-N-CA 121.944 1.762 . . . . 10.0 111.368 178.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 455' ' ' TYR . . . . . 0.492 ' HB2' H281 ' D' ' 601' ' ' PCW . 78.4 t80 -61.56 -47.71 84.26 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.229 -0.656 . . . . 10.0 109.229 178.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 21.1 mt -67.19 -37.3 83.44 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.589 -0.732 . . . . 10.0 110.856 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -67.18 -50.83 59.62 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.977 0.418 . . . . 10.0 110.348 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -61.09 -40.37 93.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.592 -0.731 . . . . 10.0 110.437 179.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 459' ' ' PHE . . . . . 0.405 ' HB2' ' O ' ' D' ' 455' ' ' TYR . 1.7 m-85 -70.71 -40.64 72.7 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.458 179.017 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -63.67 -36.69 84.66 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 110.146 -0.316 . . . . 10.0 110.146 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 57.4 mttt -62.97 -37.33 86.69 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 109.011 -0.737 . . . . 10.0 109.011 177.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 15.0 mtmm -71.16 -34.95 71.45 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.099 -0.5 . . . . 10.0 109.975 178.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 38.3 m0 -69.74 -38.75 76.93 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.736 -0.838 . . . . 10.0 108.736 178.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -61.26 -52.1 66.15 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 115.635 -0.711 . . . . 10.0 109.353 178.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 465' ' ' GLU . . . . . 0.532 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 12.5 mt-10 -52.8 -53.71 44.56 Favored 'General case' 0 C--N 1.333 -0.15 0 O-C-N 123.675 0.609 . . . . 10.0 110.152 178.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.18 -40.33 89.62 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.152 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 33.1 ttm -63.07 -46.26 88.28 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 120.98 0.419 . . . . 10.0 110.469 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -64.79 -39.77 94.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.916 -0.583 . . . . 10.0 109.743 178.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 469' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' D' ' 465' ' ' GLU . 97.4 mt -61.98 -39.67 92.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.791 -0.64 . . . . 10.0 110.389 178.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 18.9 m-30 -64.95 -30.93 71.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.918 0.39 . . . . 10.0 110.761 179.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 471' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' D' ' 471' ' ' ARG . 63.2 mtt180 -70.6 -26.97 63.75 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.223 179.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -107.64 2.25 23.76 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.951 -179.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 473' ' ' LYS . . . . . 0.629 ' HG2' HD13 ' A' ' 301' ' ' LEU . 88.8 mttt -127.15 -66.49 0.89 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.477 -0.329 . . . . 10.0 110.907 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 55.6 t -56.43 -44.5 80.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.533 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 475' ' ' GLU . . . . . 0.703 ' HB2' ' HD3' ' D' ' 476' ' ' PRO . 35.7 mt-10 -63.86 -60.73 8.29 Favored Pre-proline 0 CA--C 1.541 0.596 0 N-CA-C 112.25 0.463 . . . . 10.0 112.25 179.525 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 476' ' ' PRO . . . . . 0.703 ' HD3' ' HB2' ' D' ' 475' ' ' GLU . 68.9 Cg_exo -56.67 -39.21 92.92 Favored 'Trans proline' 0 C--N 1.355 0.872 0 C-N-CA 122.385 2.057 . . . . 10.0 111.557 179.047 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 477' ' ' LEU . . . . . 0.516 HD21 ' HG3' ' A' ' 297' ' ' LYS . 19.3 mt -67.86 -31.62 71.56 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 116.485 -0.325 . . . . 10.0 110.815 179.485 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 17.4 ttm180 -64.75 -41.21 96.07 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.265 -0.643 . . . . 10.0 109.265 178.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -71.24 -38.68 71.95 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.726 -0.67 . . . . 10.0 109.807 179.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -64.5 -47.96 76.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.621 -0.718 . . . . 10.0 109.699 179.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 76.9 mt -66.84 -32.11 73.16 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.746 -0.661 . . . . 10.0 110.454 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -66.38 -40.63 89.81 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.584 -0.524 . . . . 10.0 109.584 178.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -70.72 -42.63 70.31 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 109.439 -0.578 . . . . 10.0 109.439 179.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -61.71 -39.51 97.53 Favored Glycine 0 N--CA 1.45 -0.388 0 N-CA-C 110.257 -1.137 . . . . 10.0 110.257 178.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -69.08 -36.58 77.77 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.166 -0.679 . . . . 10.0 109.166 178.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 67.9 mtt180 -62.24 -44.4 96.65 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.126 -0.694 . . . . 10.0 109.126 178.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -63.9 -41.98 97.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.601 -0.727 . . . . 10.0 109.343 178.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -65.09 -36.9 85.77 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.848 -0.615 . . . . 10.0 109.751 178.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 27.8 mt -63.81 -38.73 92.17 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 108.537 -0.912 . . . . 10.0 108.537 178.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -67.59 -42.13 82.97 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 108.48 -0.933 . . . . 10.0 108.48 178.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -57.66 -43.14 84.74 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 108.273 -1.01 . . . . 10.0 108.273 177.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 93.2 mt -67.53 -39.62 85.04 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.583 -0.735 . . . . 10.0 110.705 178.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -58.87 -42.01 88.41 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.769 0.319 . . . . 10.0 110.353 179.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -77.19 13.8 1.06 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.921 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 495' ' ' LYS . . . . . 0.563 ' HE3' HD22 ' A' ' 279' ' ' LEU . 30.0 mttp -128.72 -45.86 1.3 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.113 -0.494 . . . . 10.0 109.745 178.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 496' ' ' LEU . . . . . 0.488 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 96.3 mt -59.77 -33.24 71.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.998 -0.547 . . . . 10.0 111.301 179.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 497' ' ' SER . . . . . 0.509 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 6.0 m -77.23 -65.9 0.35 Allowed Pre-proline 0 CA--C 1.538 0.494 0 CA-C-O 119.424 -0.322 . . . . 10.0 111.571 179.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 498' ' ' PRO . . . . . 0.509 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 25.6 Cg_endo -61.56 -53.02 2.56 Favored 'Trans proline' 0 C--N 1.358 1.065 0 C-N-CA 121.721 1.614 . . . . 10.0 112.574 -179.547 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 499' ' ' LEU . . . . . 0.518 HD21 ' HG2' ' A' ' 275' ' ' LYS . 78.7 mt -68.51 -25.8 65.13 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.915 0.388 . . . . 10.0 110.681 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 500' ' ' GLY . . . . . 0.488 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -71.93 -50.08 19.94 Favored Glycine 0 N--CA 1.448 -0.512 0 N-CA-C 110.45 -1.06 . . . . 10.0 110.45 178.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -63.44 -36.27 83.19 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 108.984 -0.747 . . . . 10.0 108.984 178.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 502' ' ' GLU . . . . . 0.44 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 32.7 tt0 -65.95 -41.2 91.55 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.522 -0.763 . . . . 10.0 109.247 178.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 503' ' ' MET . . . . . 0.432 ' HA ' ' HD2' ' D' ' 506' ' ' ARG . 3.3 tmm? -62.85 -40.42 97.4 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 108.783 -0.821 . . . . 10.0 108.783 178.31 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 504' ' ' ARG . . . . . 0.42 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 97.7 mtt180 -63.08 -43.09 99.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.398 -0.819 . . . . 10.0 109.513 178.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.86 -44.03 97.22 Favored 'General case' 0 N--CA 1.462 0.16 0 N-CA-C 109.675 -0.491 . . . . 10.0 109.675 178.56 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 506' ' ' ARG . . . . . 0.44 ' HG3' ' O ' ' D' ' 502' ' ' GLU . 46.8 mtt180 -60.0 -46.36 89.72 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 108.904 -0.776 . . . . 10.0 108.904 178.199 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -60.14 -41.6 93.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.605 -0.725 . . . . 10.0 109.942 179.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 508' ' ' ARG . . . . . 0.42 ' HG3' ' O ' ' D' ' 504' ' ' ARG . 74.7 mtt180 -60.02 -46.08 90.69 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 109.742 -0.466 . . . . 10.0 109.742 178.572 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 509' ' ' ALA . . . . . 0.694 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -65.74 -34.97 79.42 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.645 -0.707 . . . . 10.0 110.986 179.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 510' ' ' HIS . . . . . 0.579 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 7.3 m-70 -73.68 -49.89 23.59 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.29 -0.414 . . . . 10.0 110.429 179.148 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 62.2 t -62.12 -43.01 97.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.501 . . . . 10.0 110.95 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 512' ' ' ASP . . . . . 0.586 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 11.1 t70 -64.4 -35.45 80.95 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 109.849 -0.426 . . . . 10.0 109.849 179.356 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -68.16 -39.1 82.67 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 108.652 -0.87 . . . . 10.0 108.652 178.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 514' ' ' LEU . . . . . 0.579 ' HG ' ' O ' ' D' ' 510' ' ' HIS . 88.1 mt -61.47 -30.83 70.85 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.126 178.6 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 515' ' ' ARG . . . . . 0.586 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 90.4 mtt180 -68.98 -26.7 65.16 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.123 -0.49 . . . . 10.0 110.213 178.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -105.45 1.87 28.09 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.177 0.513 . . . . 10.0 110.951 179.691 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 25.6 m170 -115.0 -57.64 2.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.245 -0.434 . . . . 10.0 111.54 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 72.5 mt -75.59 -49.39 18.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.947 -0.57 . . . . 10.0 112.449 -178.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 519' ' ' ALA . . . . . 0.642 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -52.63 -56.86 18.81 Favored Pre-proline 0 CA--C 1.534 0.363 0 N-CA-C 112.592 0.589 . . . . 10.0 112.592 -179.49 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 520' ' ' PRO . . . . . 0.642 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 40.7 Cg_exo -60.13 -39.94 64.82 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 121.824 1.683 . . . . 10.0 110.959 179.071 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 521' ' ' TYR . . . . . 0.491 ' OH ' H272 ' A' ' 412' ' ' PCW . 20.3 t80 -61.69 -39.37 91.22 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.401 179.695 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 522' ' ' SER . . . . . 0.433 ' O ' ' HG3' ' D' ' 526' ' ' ARG . 45.2 m -63.71 -38.31 90.65 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 109.476 -0.564 . . . . 10.0 109.476 178.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 523' ' ' ASP . . . . . 0.847 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 13.5 t70 -68.31 -39.3 82.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.85 -0.614 . . . . 10.0 109.844 179.155 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -64.66 -42.24 95.54 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 108.552 -0.907 . . . . 10.0 108.552 177.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 525' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' D' ' 521' ' ' TYR . 80.5 mt -64.83 -29.46 70.42 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-N 115.429 -0.805 . . . . 10.0 110.451 178.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 526' ' ' ARG . . . . . 0.847 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 94.0 mtt180 -62.53 -42.77 99.74 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.075 -0.713 . . . . 10.0 109.075 178.295 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -67.76 -39.46 84.17 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.773 -0.649 . . . . 10.0 110.314 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 528' ' ' ARG . . . . . 0.612 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 76.0 mtt180 -71.4 -47.96 52.78 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.782 -0.644 . . . . 10.0 110.932 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 26.7 mt -61.73 -33.72 74.54 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.558 -0.292 . . . . 10.0 110.43 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 530' ' ' ALA . . . . . 0.49 ' O ' ' HB2' ' D' ' 534' ' ' GLU . . . -61.68 -43.61 98.53 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.174 -0.676 . . . . 10.0 109.174 178.325 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -69.71 -40.07 76.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.705 -0.679 . . . . 10.0 109.968 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -62.1 -51.55 67.45 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.821 -0.627 . . . . 10.0 109.915 178.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 533' ' ' LEU . . . . . 0.633 HD23 HD12 ' D' ' 536' ' ' LEU . 75.0 mt -64.87 -33.02 75.02 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.41 178.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 534' ' ' GLU . . . . . 0.748 ' HA ' ' HE3' ' D' ' 537' ' ' LYS . 19.5 tt0 -62.49 -44.4 96.47 Favored 'General case' 0 CA--C 1.518 -0.26 0 N-CA-C 108.911 -0.774 . . . . 10.0 108.911 178.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -66.49 -37.91 86.13 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 108.851 -0.796 . . . . 10.0 108.851 178.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 536' ' ' LEU . . . . . 0.633 HD12 HD23 ' D' ' 533' ' ' LEU . 87.6 mt -67.14 -26.24 66.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.879 178.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 537' ' ' LYS . . . . . 0.748 ' HE3' ' HA ' ' D' ' 534' ' ' GLU . 44.1 mtmt -83.01 -33.94 26.4 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.082 -0.71 . . . . 10.0 109.082 178.457 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -72.16 -57.66 4.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.389 -0.823 . . . . 10.0 109.864 179.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 13.8 m-20 -68.59 -33.34 73.88 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.454 -0.573 . . . . 10.0 109.454 179.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -65.53 -39.79 95.78 Favored Glycine 0 N--CA 1.445 -0.73 0 N-CA-C 110.52 -1.032 . . . . 10.0 110.52 178.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -64.44 -39.17 96.67 Favored Glycine 0 N--CA 1.447 -0.576 0 N-CA-C 109.889 -1.284 . . . . 10.0 109.889 178.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -66.31 -44.59 83.01 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.92 -0.77 . . . . 10.0 108.92 178.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 60.7 mtt85 -60.53 -40.54 91.89 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-N 115.7 -0.682 . . . . 10.0 109.98 178.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 13.8 mt -61.67 -48.44 80.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 10.0 110.141 178.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -62.71 -41.82 99.34 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.714 -0.676 . . . . 10.0 110.099 179.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -65.82 -41.13 92.2 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.821 -0.627 . . . . 10.0 109.967 178.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 547' ' ' TYR . . . . . 0.562 ' HE1' ' HZ ' ' A' ' 228' ' ' PHE . 0.5 OUTLIER -65.02 -34.52 78.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.124 -0.489 . . . . 10.0 109.903 179.084 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -69.91 -43.01 72.57 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.221 -0.659 . . . . 10.0 109.221 178.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -66.25 -51.3 58.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.783 -0.644 . . . . 10.0 110.287 179.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 550' ' ' LYS . . . . . 0.518 ' HD3' HG22 ' A' ' 224' ' ' VAL . 0.1 OUTLIER -65.14 -27.09 68.49 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.054 -0.521 . . . . 10.0 111.63 -179.774 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -66.85 -39.61 87.65 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.079 -0.711 . . . . 10.0 109.079 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 14.9 m -66.54 -44.88 81.2 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.72 -0.844 . . . . 10.0 108.72 178.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -61.61 -49.64 75.79 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 115.693 -0.685 . . . . 10.0 109.862 178.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 79.7 t60 -59.13 -40.36 85.23 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.142 179.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 12.4 tp -64.66 -45.25 87.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.013 -0.54 . . . . 10.0 111.093 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 5.0 p -60.0 -44.25 94.67 Favored 'General case' 0 CA--C 1.529 0.155 0 N-CA-C 111.898 0.333 . . . . 10.0 111.898 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -68.65 -29.96 68.55 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.934 0.397 . . . . 10.0 110.834 179.371 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 22.0 mt -66.59 -50.57 62.61 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 115.973 -0.558 . . . . 10.0 109.645 178.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 1.8 p -67.43 -34.67 77.7 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.616 -0.513 . . . . 10.0 109.616 178.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -58.52 -27.51 64.58 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.436 -0.802 . . . . 10.0 110.45 178.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.35 -41.56 6.99 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.519 179.082 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -56.02 -48.72 75.43 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.577 0.584 . . . . 10.0 112.577 -179.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 563' ' ' LYS . . . . . 0.421 ' HB2' ' HD3' ' D' ' 564' ' ' PRO . 93.4 mttt -54.16 -60.85 6.47 Favored Pre-proline 0 CA--C 1.535 0.377 0 N-CA-C 112.715 0.635 . . . . 10.0 112.715 -179.241 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 564' ' ' PRO . . . . . 0.421 ' HD3' ' HB2' ' D' ' 563' ' ' LYS . 52.6 Cg_endo -68.46 -34.97 18.97 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 121.64 1.56 . . . . 10.0 112.853 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -65.79 -47.02 76.54 Favored 'General case' 0 CA--C 1.516 -0.364 0 C-N-CA 121.208 -0.197 . . . . 10.0 111.224 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 43.2 mt -58.96 -46.74 87.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.485 -0.325 . . . . 10.0 110.253 179.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -65.15 -42.69 93.52 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.481 -0.327 . . . . 10.0 111.189 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.81 -42.47 94.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.411 -0.358 . . . . 10.0 110.41 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 77.5 mt -66.28 -41.64 89.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.004 178.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 570' ' ' ARG . . . . . 0.437 ' O ' ' HG ' ' D' ' 574' ' ' LEU . 66.0 mtt180 -62.43 -52.71 62.49 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.621 179.204 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -66.86 -23.43 66.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.959 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -82.23 -34.02 24.54 Favored Glycine 0 N--CA 1.444 -0.832 0 N-CA-C 111.054 -0.818 . . . . 10.0 111.054 178.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 573' ' ' LEU . . . . . 0.472 ' HA ' ' HB ' ' D' ' 576' ' ' VAL . 20.5 mt -71.77 -25.15 61.91 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 122.072 0.149 . . . . 10.0 111.348 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 574' ' ' LEU . . . . . 0.444 ' HB2' ' HD3' ' D' ' 575' ' ' PRO . 95.4 mt -53.92 -60.47 7.24 Favored Pre-proline 0 CA--C 1.542 0.65 0 O-C-N 123.106 0.254 . . . . 10.0 111.68 179.614 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 575' ' ' PRO . . . . . 0.444 ' HD3' ' HB2' ' D' ' 574' ' ' LEU . 40.9 Cg_endo -69.51 -28.44 26.47 Favored 'Trans proline' 0 C--N 1.357 0.998 0 C-N-CA 121.754 1.636 . . . . 10.0 111.11 178.41 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 576' ' ' VAL . . . . . 0.472 ' HB ' ' HA ' ' D' ' 573' ' ' LEU . 22.4 t -64.08 -50.09 78.56 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.127 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.329 179.238 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 89.3 mt -61.66 -36.06 79.74 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 110.102 -0.333 . . . . 10.0 110.102 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 578' ' ' GLU . . . . . 0.411 ' O ' HG23 ' D' ' 582' ' ' VAL . 54.0 mm-40 -66.01 -47.4 74.58 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 109.553 -0.536 . . . . 10.0 109.553 178.608 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 44.5 m -61.37 -41.1 96.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.791 -0.64 . . . . 10.0 109.98 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -66.04 -35.35 80.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.155 178.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -60.74 -47.42 86.37 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 108.753 -0.832 . . . . 10.0 108.753 178.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 582' ' ' VAL . . . . . 0.411 HG23 ' O ' ' D' ' 578' ' ' GLU . 61.6 t -61.48 -44.25 98.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.357 -0.838 . . . . 10.0 110.313 179.235 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 69.9 m -60.03 -50.68 72.75 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.363 -0.38 . . . . 10.0 110.575 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -61.72 -46.15 90.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.985 -0.552 . . . . 10.0 111.613 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 62.7 mt -57.82 -50.68 72.48 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.745 0.307 . . . . 10.0 111.244 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 4.7 m -66.62 -28.55 68.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.001 0.429 . . . . 10.0 111.387 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 587' ' ' ALA . . . . . 0.648 ' HB2' ' HG2' ' A' ' 396' ' ' LYS . . . -75.26 -57.99 3.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.737 179.537 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 588' ' ' LEU . . . . . 0.604 HD22 ' H50' ' D' ' 630' ' ' 17F . 84.2 mt -57.38 -41.37 80.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.471 . . . . 10.0 111.952 -179.165 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -59.06 -52.46 65.67 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.193 -0.458 . . . . 10.0 110.889 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -68.67 -35.79 77.7 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.128 0.418 . . . . 10.0 112.128 -179.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 9.2 m-30 -60.33 -42.59 95.97 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.86 0.362 . . . . 10.0 110.195 179.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 29.4 m -66.09 -31.92 73.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.498 -0.774 . . . . 10.0 110.739 179.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -79.3 -32.88 43.62 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.328 -0.396 . . . . 10.0 111.001 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 594' ' ' LYS . . . . . 0.821 ' HE2' ' HB2' ' A' ' 388' ' ' SER . 8.8 mptt -73.19 -43.69 60.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.07 0.462 . . . . 10.0 110.273 179.255 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 82.4 mt -98.17 41.51 1.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.421 0.629 . . . . 10.0 109.821 179.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 . . . . . 0 C--N 1.323 -0.578 0 CA-C-N 115.726 -0.67 . . . . 10.0 111.456 -179.131 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 C--O 1.235 0.308 0 CA-C-O 120.932 0.396 . . . . 10.0 111.113 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . 0.539 ' HB ' ' CE2' ' B' ' 4' ' ' TYR . 0.2 OUTLIER -86.16 128.85 34.96 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.919 -179.681 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -91.45 133.94 35.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.513 -0.312 . . . . 10.0 110.658 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' TYR . . . . . 0.539 ' CE2' ' HB ' ' B' ' 2' ' ' THR . 97.4 m-85 -126.74 111.37 14.17 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.748 -0.464 . . . . 10.0 109.748 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.714 ' HA ' ' HB3' ' B' ' 54' ' ' ASP . 36.9 mttm -78.89 117.63 20.16 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 120.936 0.398 . . . . 10.0 111.119 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.473 HD22 ' HG ' ' B' ' 159' ' ' LEU . 12.6 mt -117.26 123.55 46.86 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.642 -0.708 . . . . 10.0 110.685 -179.093 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.567 HG12 HG22 ' B' ' 9' ' ' VAL . 21.3 t -104.07 120.06 53.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 120.915 0.388 . . . . 10.0 111.335 179.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.583 HG12 ' HD2' ' B' ' 16' ' ' LYS . 42.7 t -98.24 105.9 17.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.317 -0.623 . . . . 10.0 109.317 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.567 HG22 HG12 ' B' ' 7' ' ' VAL . 0.0 OUTLIER -125.84 169.28 17.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.141 0.496 . . . . 10.0 112.104 -178.488 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 146.65 177.84 21.57 Favored Glycine 0 N--CA 1.444 -0.823 0 CA-C-N 115.057 -0.974 . . . . 10.0 111.03 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.11 159.88 30.08 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.815 0.341 . . . . 10.0 110.931 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.29 139.28 42.39 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.883 0.373 . . . . 10.0 111.376 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 98.34 4.07 57.45 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 121.009 -0.615 . . . . 10.0 113.229 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 34.6 m -85.14 -23.37 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 122.445 -0.444 . . . . 10.0 111.865 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 101.01 48.77 1.42 Allowed Glycine 0 C--O 1.223 -0.58 0 C-N-CA 120.654 -0.784 . . . . 10.0 113.031 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.583 ' HD2' HG12 ' B' ' 8' ' ' VAL . 1.9 mtmp? -83.31 -41.39 18.31 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.293 0.568 . . . . 10.0 109.951 179.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . 0.42 ' OG ' ' O3G' ' B' ' 201' ' ' GSP . 0.8 OUTLIER -70.57 -39.64 73.78 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.746 -0.661 . . . . 10.0 109.425 179.588 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.95 -53.93 52.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.913 -0.585 . . . . 10.0 109.856 179.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 8.6 mt -52.82 -49.66 65.25 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.094 -0.503 . . . . 10.0 111.841 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 6.8 m -62.99 -47.44 83.13 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.056 -0.52 . . . . 10.0 111.438 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 86.0 mt -63.82 -36.34 76.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.386 -0.37 . . . . 10.0 111.592 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . 0.57 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 5.8 mm-40 -63.88 -26.64 68.7 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.566 -0.288 . . . . 10.0 111.382 179.668 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 4.4 tp -94.55 -37.43 11.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.867 0.365 . . . . 10.0 111.155 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.47 HD13 ' HD3' ' B' ' 42' ' ' LYS . 47.8 mm -77.85 -51.79 17.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 112.299 0.481 . . . . 10.0 112.299 -179.247 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -97.89 -8.17 28.76 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.056 0.391 . . . . 10.0 112.056 -178.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . 0.57 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 55.3 m-80 70.86 10.44 6.99 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 113.785 1.031 . . . . 10.0 113.785 178.577 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -130.03 168.55 16.55 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.578 0.585 . . . . 10.0 112.578 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -103.88 140.24 37.96 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.514 -179.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -92.89 123.64 45.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 109.867 -0.42 . . . . 10.0 109.867 179.122 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.05 8.8 27.89 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.091 0.472 . . . . 10.0 111.374 -178.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -128.0 162.57 26.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.35 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . 0.792 ' HE1' H5'2 ' B' ' 201' ' ' GSP . 26.5 t80 -102.36 119.94 39.65 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.861 -0.422 . . . . 10.0 109.861 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -120.52 102.07 45.55 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 116.233 -0.439 . . . . 10.0 110.626 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -55.23 118.1 4.79 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.952 2.434 . . . . 10.0 111.16 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.428 ' OG1' ' O3G' ' B' ' 201' ' ' GSP . 0.2 OUTLIER -104.01 117.93 35.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.568 -0.287 . . . . 10.0 111.41 -178.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 33.9 mm -72.43 -57.0 8.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 108.672 -0.862 . . . . 10.0 108.672 178.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -168.12 102.15 0.45 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.462 -0.79 . . . . 10.0 109.791 178.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -107.9 171.87 7.16 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.371 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 19.1 m -147.6 131.02 16.66 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.762 0.315 . . . . 10.0 110.474 -179.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -134.52 143.2 47.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.347 -0.388 . . . . 10.0 110.241 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.444 ' HD2' ' OD1' ' B' ' 54' ' ' ASP . 0.7 OUTLIER -116.15 126.2 53.35 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.98 0.419 . . . . 10.0 110.914 -179.907 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . 0.47 ' HD3' HD13 ' B' ' 24' ' ' ILE . 46.2 tptt -124.62 128.86 49.52 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.068 -0.515 . . . . 10.0 110.035 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -106.61 100.37 9.89 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.888 0.375 . . . . 10.0 110.123 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . 0.456 HG23 HG13 ' B' ' 46' ' ' ILE . 3.5 m -124.59 158.3 31.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.158 -0.474 . . . . 10.0 111.007 -179.45 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 3.0 m -94.76 61.37 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.046 0.45 . . . . 10.0 111.917 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . 0.456 HG13 HG23 ' B' ' 44' ' ' VAL . 69.3 mt -67.15 125.89 25.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.856 0.36 . . . . 10.0 111.016 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . 0.696 ' HA ' ' HB2' ' C' ' 128' ' ' LYS . 64.6 m-20 66.13 16.77 10.57 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.509 -0.769 . . . . 10.0 112.141 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.85 -12.7 68.28 Favored Glycine 0 C--O 1.229 -0.207 0 C-N-CA 120.996 -0.621 . . . . 10.0 113.04 179.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -103.11 132.79 49.11 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 122.67 -0.312 . . . . 10.0 110.653 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 1.1 m -69.12 116.45 9.57 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.99 -0.745 . . . . 10.0 108.99 178.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . 0.427 ' HB3' ' CE2' ' B' ' 4' ' ' TYR . 0.1 OUTLIER -123.88 146.28 48.53 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.201 0.524 . . . . 10.0 112.047 -178.914 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 25.2 tp -103.31 109.12 20.62 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.425 -0.807 . . . . 10.0 108.984 178.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' B' ' 41' ' ' ARG . 17.2 mt -82.39 121.95 27.37 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.926 -0.579 . . . . 10.0 111.392 -178.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . 0.714 ' HB3' ' HA ' ' B' ' 5' ' ' LYS . 6.0 t70 -102.07 83.48 2.36 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.86 -1.163 . . . . 10.0 107.86 178.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 15.7 mt -85.62 139.41 17.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 112.829 0.678 . . . . 10.0 112.829 -177.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 4.6 tp -131.23 118.85 20.99 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 116.024 -0.534 . . . . 10.0 111.048 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -102.75 90.92 3.96 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 120.922 0.391 . . . . 10.0 110.22 178.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . 0.554 HG21 ' CE1' ' B' ' 71' ' ' TYR . 0.2 OUTLIER -87.01 164.25 16.59 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.965 -0.561 . . . . 10.0 111.121 179.819 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.51 137.85 42.75 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.189 0.518 . . . . 10.0 111.848 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -111.57 48.69 0.91 Allowed Glycine 0 N--CA 1.447 -0.575 0 N-CA-C 110.77 -0.932 . . . . 10.0 110.77 179.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -107.29 15.29 25.18 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.749 0.309 . . . . 10.0 111.434 -179.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 63.48 -173.6 0.16 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.593 -0.73 . . . . 10.0 111.937 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 68.18 3.66 3.76 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 116.044 -0.526 . . . . 10.0 112.189 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -100.6 39.57 1.36 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.418 -0.355 . . . . 10.0 110.562 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 1.5 m -61.29 -34.34 75.05 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.584 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.44 -35.55 30.47 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.993 0.425 . . . . 10.0 110.945 179.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . 0.599 ' HG2' ' HE1' ' B' ' 71' ' ' TYR . 28.2 ttt -74.0 -40.16 63.13 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.277 -0.419 . . . . 10.0 111.983 -179.124 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . 0.637 ' HA ' ' CZ ' ' B' ' 71' ' ' TYR . 1.9 ttp180 -54.67 -40.68 69.34 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.277 0.473 . . . . 10.0 112.277 -179.254 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.21 -25.24 65.46 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.131 -0.486 . . . . 10.0 112.259 -178.611 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -69.33 -64.71 0.82 Allowed 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.202 -0.454 . . . . 10.0 111.638 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' TYR . . . . . 0.637 ' CZ ' ' HA ' ' B' ' 68' ' ' ARG . 13.4 p90 -70.98 -21.3 62.33 Favored 'General case' 0 CA--C 1.529 0.157 0 N-CA-C 112.968 0.729 . . . . 10.0 112.968 -178.437 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . 0.489 ' SD ' ' HG2' ' B' ' 99' ' ' GLN . 30.6 mtt -67.95 -25.61 65.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.25 0.548 . . . . 10.0 111.289 179.254 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -85.94 -36.64 19.73 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.663 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 1.4 m -78.67 -41.25 31.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 10.0 111.955 -179.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -66.0 137.81 36.47 Favored Glycine 0 C--O 1.236 0.265 0 C-N-CA 120.924 -0.655 . . . . 10.0 113.156 -178.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -96.73 -47.37 5.91 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.811 0.339 . . . . 10.0 110.212 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -106.16 129.5 9.78 Favored Glycine 0 N--CA 1.445 -0.719 0 N-CA-C 111.146 -0.781 . . . . 10.0 111.146 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . 0.554 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 84.5 m-85 -111.04 126.26 54.61 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.141 0.496 . . . . 10.0 111.587 -179.062 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.817 HD13 HD22 ' B' ' 159' ' ' LEU . 12.1 tp -98.74 114.07 26.43 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.68 -0.691 . . . . 10.0 110.184 179.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . 0.511 ' HB3' HD12 ' B' ' 93' ' ' ILE . 1.9 m -88.85 90.79 8.56 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.728 -0.669 . . . . 10.0 109.572 179.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 4.1 t -91.42 132.63 35.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.573 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' PHE . . . . . 0.493 ' HB3' HD11 ' B' ' 93' ' ' ILE . 21.1 p90 -146.29 157.0 43.76 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 116.141 -0.482 . . . . 10.0 110.403 178.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.551 ' HB3' ' HB3' ' B' ' 86' ' ' ASN . . . -96.0 132.38 41.4 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 109.433 -0.58 . . . . 10.0 109.433 179.105 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 17.4 pt -72.65 1.78 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.047 0.451 . . . . 10.0 111.635 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 33.9 p-10 -125.78 17.99 7.99 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.219 179.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.551 ' HB3' ' HB3' ' B' ' 83' ' ' ALA . 39.0 t-20 -137.53 112.26 8.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.932 -0.576 . . . . 10.0 109.713 179.519 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.11 -37.98 87.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.945 -0.571 . . . . 10.0 112.525 -179.005 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -56.29 -45.51 80.18 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.641 -0.254 . . . . 10.0 110.725 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 1.4 m -65.67 -36.97 85.17 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.88 0.326 . . . . 10.0 111.88 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . 0.464 ' CZ ' HD22 ' B' ' 133' ' ' LEU . 83.8 t80 -67.46 -45.16 76.76 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.788 0.328 . . . . 10.0 111.451 -179.523 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -75.61 -28.09 58.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.215 -0.448 . . . . 10.0 111.598 -179.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.12 -23.02 67.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.667 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 93' ' ' ILE . . . . . 0.511 HD12 ' HB3' ' B' ' 80' ' ' CYS . 45.4 mm -57.65 -42.05 80.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.092 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 58.2 t60 -63.86 -47.59 80.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.725 -0.671 . . . . 10.0 110.549 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -60.83 -43.22 98.55 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.123 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 96' ' ' TYR . . . . . 0.492 ' O ' HG13 ' B' ' 100' ' ' ILE . 7.7 m-85 -64.87 -47.34 78.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.848 -0.615 . . . . 10.0 110.08 178.681 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -55.76 -45.1 78.16 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.817 -0.629 . . . . 10.0 111.799 -179.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -64.56 -35.75 81.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.493 -0.321 . . . . 10.0 111.765 -179.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 99' ' ' GLN . . . . . 0.489 ' HG2' ' SD ' ' B' ' 72' ' ' MET . 60.4 tt0 -71.21 -42.4 69.0 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.939 -0.304 . . . . 10.0 111.304 179.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . 0.492 HG13 ' O ' ' B' ' 96' ' ' TYR . 61.5 mt -56.76 -48.91 80.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-O 120.899 0.381 . . . . 10.0 110.731 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . 0.493 ' HE3' ' HB2' ' B' ' 101' ' ' LYS . 34.3 mtmt -64.47 -27.09 68.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.924 -0.58 . . . . 10.0 111.251 -179.594 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 -77.45 -39.47 46.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.666 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . 0.437 HG23 ' O ' ' B' ' 99' ' ' GLN . 79.3 t -72.86 -45.6 55.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.952 -0.567 . . . . 10.0 111.437 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -84.82 -10.77 56.84 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 111.697 0.258 . . . . 10.0 111.697 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 17.6 t70 53.4 59.42 4.39 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 121.422 0.63 . . . . 10.0 112.228 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 18.1 t -164.67 146.6 8.3 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.487 -0.779 . . . . 10.0 109.956 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -85.96 -19.78 29.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.098 0.475 . . . . 10.0 110.011 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -95.09 106.85 18.88 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.813 -0.631 . . . . 10.0 110.714 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 0.479 HG11 HG21 ' B' ' 100' ' ' ILE . 52.1 t -136.27 127.82 17.04 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.24 -179.55 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 110' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 17.4 Cg_exo -68.45 101.65 0.76 Allowed 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.841 2.361 . . . . 10.0 110.798 179.101 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 111' ' ' MET . . . . . 0.554 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 55.0 mtm -128.21 152.94 47.47 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.685 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . 0.407 HG22 ' HG2' ' B' ' 140' ' ' PRO . 39.0 t -136.62 126.31 38.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.108 -0.496 . . . . 10.0 109.77 179.309 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . 0.48 HD12 ' HB2' ' B' ' 80' ' ' CYS . 15.8 tp -85.81 119.46 26.16 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 110.033 -0.358 . . . . 10.0 110.033 -179.691 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 84.9 t -115.34 116.13 51.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 112.406 0.521 . . . . 10.0 112.406 -178.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -102.62 104.59 2.61 Favored Glycine 0 N--CA 1.447 -0.601 0 N-CA-C 110.253 -1.139 . . . . 10.0 110.253 178.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -92.94 167.23 11.95 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.379 0.133 . . . . 10.0 110.971 -178.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . 0.515 ' HB3' HD12 ' B' ' 120' ' ' LEU . 82.5 mttt 65.91 33.96 7.53 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 123.166 0.586 . . . . 10.0 112.224 179.391 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 86.5 m -71.78 -9.63 58.58 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 112.307 0.484 . . . . 10.0 112.307 -179.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -91.2 4.04 53.27 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.012 0.434 . . . . 10.0 110.613 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . 0.515 HD12 ' HB3' ' B' ' 117' ' ' LYS . 31.4 mt -91.49 136.97 26.15 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.11 -0.495 . . . . 10.0 110.232 179.191 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -77.24 158.11 33.47 Favored 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 122.488 2.126 . . . . 10.0 111.416 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 1.1 m 62.67 69.73 0.59 Allowed 'General case' 0 C--O 1.232 0.177 0 CA-C-O 121.475 0.655 . . . . 10.0 111.288 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -88.06 150.52 23.34 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.709 -0.678 . . . . 10.0 111.168 -179.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 25.3 m -81.97 -61.41 1.92 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.672 179.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 125' ' ' VAL . . . . . 0.75 HG13 ' HG3' ' B' ' 129' ' ' GLN . 32.3 t -92.9 123.45 45.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.075 0.464 . . . . 10.0 110.656 179.541 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.4 153.16 33.94 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.627 -0.715 . . . . 10.0 109.405 179.129 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 2.3 m -54.35 -41.38 69.03 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.183 0.438 . . . . 10.0 112.183 -179.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 128' ' ' LYS . . . . . 0.631 ' HB2' ' HA ' ' C' ' 47' ' ' ASP . 12.4 pttt -55.5 -52.47 63.55 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.477 0.547 . . . . 10.0 112.477 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . 0.75 ' HG3' HG13 ' B' ' 125' ' ' VAL . 4.2 pt20 -70.74 -27.7 64.15 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.994 -0.282 . . . . 10.0 111.67 -179.532 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.89 -44.45 76.97 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 121.488 0.661 . . . . 10.0 109.596 179.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -70.9 -29.35 65.4 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.285 -0.87 . . . . 10.0 109.624 178.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -66.56 -33.84 76.57 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.341 -0.845 . . . . 10.0 109.827 178.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . 0.464 HD22 ' CZ ' ' B' ' 90' ' ' PHE . 12.4 tp -78.02 -36.94 48.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.605 -0.725 . . . . 10.0 110.6 179.446 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.96 -27.91 69.72 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 121.171 0.51 . . . . 10.0 111.108 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 135' ' ' ARG . . . . . 0.617 HH21 ' HG2' ' C' ' 161' ' ' ARG . 36.7 ttm180 -66.06 -40.44 90.92 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.658 -0.701 . . . . 10.0 111.029 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.65 -30.79 71.81 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.071 -0.513 . . . . 10.0 111.316 -179.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 137' ' ' TYR . . . . . 0.441 ' HB2' HG12 ' B' ' 139' ' ' ILE . 21.1 m-85 -86.39 -30.87 21.81 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.432 179.673 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 85.07 33.79 16.81 Favored Glycine 0 N--CA 1.445 -0.711 0 N-CA-C 110.238 -1.145 . . . . 10.0 110.238 -178.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 139' ' ' ILE . . . . . 0.48 HG21 ' HB2' ' B' ' 111' ' ' MET . 37.5 pt -121.14 157.4 55.59 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 115.268 -0.466 . . . . 10.0 110.758 -178.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 140' ' ' PRO . . . . . 0.407 ' HG2' HG22 ' B' ' 112' ' ' VAL . 92.7 Cg_endo -82.89 141.49 10.71 Favored 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 122.819 2.346 . . . . 10.0 112.579 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -125.01 137.62 54.24 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.46 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 46.7 mt -143.11 132.49 21.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.507 -0.553 . . . . 10.0 109.507 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -73.69 134.36 43.55 Favored 'General case' 0 CA--C 1.522 -0.132 0 N-CA-C 108.709 -0.848 . . . . 10.0 108.709 178.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 144' ' ' THR . . . . . 0.712 HG22 ' HA3' ' B' ' 151' ' ' GLY . 34.5 p -136.66 165.79 25.07 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 113.787 1.032 . . . . 10.0 113.787 -177.487 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 30.2 t -156.01 101.19 2.08 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 107.45 -1.315 . . . . 10.0 107.45 178.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -65.37 -36.98 85.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.503 -0.317 . . . . 10.0 111.388 -178.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -56.67 -42.47 79.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.002 0.43 . . . . 10.0 110.273 178.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 1.6 m -88.24 -7.16 57.22 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.239 0.543 . . . . 10.0 110.3 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 2.9 ttt-85 59.21 42.8 17.99 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.489 -0.778 . . . . 10.0 111.575 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -122.21 113.22 19.16 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.066 -0.516 . . . . 10.0 111.334 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 151' ' ' GLY . . . . . 0.712 ' HA3' HG22 ' B' ' 144' ' ' THR . . . 110.14 -15.43 30.64 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 121.009 -0.615 . . . . 10.0 112.756 179.312 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 152' ' ' VAL . . . . . 0.424 HG23 ' H ' ' B' ' 152' ' ' VAL . 3.0 t -54.0 -52.94 31.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-O 120.932 0.396 . . . . 10.0 111.93 -179.196 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -62.23 -49.22 76.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.943 -0.571 . . . . 10.0 111.571 -179.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -54.7 -47.62 73.47 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.993 -0.548 . . . . 10.0 112.313 -178.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.23 -46.95 88.3 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.251 -0.432 . . . . 10.0 111.551 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -62.76 -43.58 98.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.478 -0.328 . . . . 10.0 111.88 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 17.1 m-30 -62.21 -48.11 81.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.207 -0.451 . . . . 10.0 110.981 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 11.4 m -63.37 -37.89 89.04 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.945 -0.571 . . . . 10.0 112.448 -179.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 159' ' ' LEU . . . . . 0.817 HD22 HD13 ' B' ' 79' ' ' LEU . 44.7 tp -57.87 -48.94 78.37 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.877 0.37 . . . . 10.0 111.089 179.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 96.6 t -69.44 -38.24 76.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.147 0.498 . . . . 10.0 110.554 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 161' ' ' ARG . . . . . 0.498 ' CZ ' ' HB3' ' C' ' 131' ' ' GLN . 16.4 ttp180 -63.83 -36.89 85.38 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.755 -0.657 . . . . 10.0 111.179 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -64.85 -33.66 76.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.849 0.356 . . . . 10.0 110.632 179.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 72.8 mt -66.63 -43.45 90.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 108.46 -0.941 . . . . 10.0 108.46 178.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 77.9 mtt180 -62.48 -43.25 99.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.364 -0.834 . . . . 10.0 109.592 179.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 165' ' ' LYS . . . . . 0.638 ' HB2' ' HD3' ' C' ' 135' ' ' ARG . 13.1 ttmt -61.03 -45.49 94.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.826 -0.624 . . . . 10.0 109.845 178.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 22.9 t-80 -56.53 -52.65 63.98 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.732 -0.667 . . . . 10.0 111.068 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -63.53 -42.55 98.44 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.29 -0.414 . . . . 10.0 111.832 -178.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -63.0 -46.45 87.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.023 0.44 . . . . 10.0 110.504 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 8.9 mtpm? -69.54 -37.7 77.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.039 -0.528 . . . . 10.0 111.525 -179.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 75.3 mmm -66.64 -17.31 64.77 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 112.612 0.597 . . . . 10.0 112.612 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 51.9 m -76.48 -13.44 60.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.67 0.747 . . . . 10.0 109.988 178.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -111.3 -50.57 2.92 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.399 -0.819 . . . . 10.0 108.928 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 173' ' ' ASP . . . . . . . . . . . . . 30.9 t0 70.04 -66.99 0.25 Allowed 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.336 -0.847 . . . . 10.0 113.028 179.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . 103.78 -126.17 8.69 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 121.138 -0.553 . . . . 10.0 111.855 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 175' ' ' LYS . . . . . . . . . . . . . 86.3 mttt 61.54 32.29 18.74 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 122.866 0.466 . . . . 10.0 112.08 179.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 176' ' ' LYS . . . . . . . . . . . . . 40.0 mttp -143.25 51.63 1.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.006 0.431 . . . . 10.0 110.541 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 177' ' ' LYS . . . . . . . . . . . . . 32.0 mtmt -91.9 -20.87 20.97 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.336 179.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 178' ' ' LYS . . . . . 0.695 ' HA ' ' O2 ' ' B' ' 210' ' ' 17F . 5.8 ttmm 71.79 -115.7 0.07 Allowed 'General case' 0 C--O 1.234 0.26 0 O-C-N 123.97 0.794 . . . . 10.0 109.761 -179.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 179' ' ' LYS . . . . . . . . . . . . . 4.9 mptp? 57.96 -157.64 0.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.692 0.627 . . . . 10.0 112.692 178.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 180' ' ' LYS . . . . . 0.435 ' HB3' H342 ' C' ' 205' ' ' PCW . 13.2 pttp -158.91 157.05 30.67 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.025 -0.731 . . . . 10.0 109.025 -179.537 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 19.0 m -78.17 -8.28 58.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.185 0.516 . . . . 10.0 111.021 -179.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 182' ' ' LYS . . . . . 0.649 ' HB2' HN1A ' C' ' 214' ' ' 17F . 13.8 ptpt -118.27 132.22 56.31 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 116.097 -0.501 . . . . 10.0 110.458 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 183' ' ' THR . . . . . 0.551 ' H ' ' C3 ' ' C' ' 214' ' ' 17F . 0.2 OUTLIER -71.97 -77.74 0.09 Allowed 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.522 -0.547 . . . . 10.0 109.522 179.213 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 184' ' ' LYS . . . . . 0.529 ' N ' ' O5 ' ' C' ' 214' ' ' 17F . 4.5 tmtt? . . . . . 0 C--O 1.236 0.346 0 CA-C-N 115.218 -0.901 . . . . 10.0 109.702 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.934 0.397 . . . . 10.0 110.792 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -80.32 123.11 27.71 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.213 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -98.96 132.73 44.06 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.691 0.281 . . . . 10.0 110.647 -179.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -122.72 115.19 21.65 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.332 -0.395 . . . . 10.0 110.283 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 5' ' ' LYS . . . . . 0.428 ' HB2' ' HG3' ' C' ' 76' ' ' GLU . 59.9 mttm -90.05 100.34 13.18 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.108 0.48 . . . . 10.0 110.445 -179.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . 0.62 HD13 HD23 ' C' ' 159' ' ' LEU . 17.4 mt -103.47 136.65 42.82 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.55 -0.75 . . . . 10.0 111.144 -178.537 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 14.3 t -116.93 129.23 73.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.235 -0.438 . . . . 10.0 109.887 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.467 HG12 ' HD2' ' C' ' 16' ' ' LYS . 14.2 t -92.67 102.37 13.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.398 -0.593 . . . . 10.0 109.398 179.547 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 17.6 m -104.71 153.52 6.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.614 -178.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 153.7 -170.34 32.42 Favored Glycine 0 N--CA 1.445 -0.704 0 N-CA-C 111.389 -0.684 . . . . 10.0 111.389 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.91 -178.34 6.95 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.799 0.333 . . . . 10.0 110.483 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.37 141.28 33.44 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.272 0.558 . . . . 10.0 111.044 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 13' ' ' GLY . . . . . 0.516 ' HA2' ' HE1' ' C' ' 32' ' ' TYR . . . 88.52 5.34 75.32 Favored Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.704 -0.68 . . . . 10.0 112.375 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 14' ' ' VAL . . . . . 0.426 ' CG2' ' HG3' ' C' ' 16' ' ' LYS . 35.4 m -84.67 -21.46 8.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.696 0.284 . . . . 10.0 111.102 -179.357 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.05 27.69 5.55 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.528 -0.844 . . . . 10.0 113.773 178.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . 0.467 ' HD2' HG12 ' C' ' 8' ' ' VAL . 9.8 mtmt -65.35 -34.69 78.92 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.34 0.59 . . . . 10.0 110.462 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 17' ' ' SER . . . . . 0.467 ' HB2' ' O1A' ' C' ' 201' ' ' GSP . 2.1 m -74.77 -47.03 33.21 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.489 -0.778 . . . . 10.0 109.436 179.592 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.36 -46.58 69.62 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.866 -0.606 . . . . 10.0 111.156 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 74.2 mt -59.69 -46.77 88.06 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.262 -0.427 . . . . 10.0 111.386 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 16.9 m -66.44 -40.97 89.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.086 -0.507 . . . . 10.0 111.242 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.14 -35.23 70.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.884 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -68.86 -16.39 63.75 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.837 0.351 . . . . 10.0 111.279 179.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 12.8 tp -92.7 -36.34 12.99 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.147 0.498 . . . . 10.0 110.297 179.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 36.3 mm -90.29 -71.71 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.285 -0.416 . . . . 10.0 111.527 -179.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -72.65 -28.23 62.6 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.529 -0.305 . . . . 10.0 111.268 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 70.09 34.38 2.45 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.617 -0.72 . . . . 10.0 112.227 178.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -137.81 149.1 46.08 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.429 -0.351 . . . . 10.0 111.252 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -89.48 124.39 34.45 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.241 -0.436 . . . . 10.0 110.35 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 17.3 m -83.1 166.05 2.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.246 -0.434 . . . . 10.0 110.915 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -122.25 -46.6 2.17 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.133 -0.485 . . . . 10.0 111.109 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -85.63 139.93 31.0 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.916 -0.584 . . . . 10.0 111.363 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 32' ' ' TYR . . . . . 0.645 ' CD1' H5'2 ' C' ' 201' ' ' GSP . 35.1 t80 -72.03 129.51 38.7 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.66 -0.7 . . . . 10.0 111.106 -179.293 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . 0.403 ' O ' ' S1G' ' C' ' 201' ' ' GSP . 34.5 t70 -127.07 101.59 25.53 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.16 -0.473 . . . . 10.0 109.76 179.162 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_exo -53.85 122.52 11.52 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 123.17 2.58 . . . . 10.0 112.779 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 3.5 m -96.18 109.68 22.09 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.101 -0.5 . . . . 10.0 110.512 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 46.1 mm -81.19 -50.81 16.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.068 0.461 . . . . 10.0 109.784 179.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -172.66 94.95 0.13 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.119 -0.697 . . . . 10.0 109.119 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.43 139.19 52.49 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.679 0.276 . . . . 10.0 111.022 -179.313 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.44 139.94 50.63 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.209 -0.45 . . . . 10.0 111.161 -179.255 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -129.67 141.36 50.93 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.431 -0.581 . . . . 10.0 109.431 -179.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . 0.464 ' HA ' ' O ' ' C' ' 53' ' ' LEU . 1.2 mpp_? -120.41 145.78 46.85 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 121.237 -0.185 . . . . 10.0 111.237 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 38.0 tttp -157.73 138.12 12.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.625 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -98.9 123.57 43.25 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.294 -0.632 . . . . 10.0 109.294 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 4.6 m -127.65 -177.29 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 120.937 0.399 . . . . 10.0 111.845 -179.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 10.6 t -115.32 88.8 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.933 -0.576 . . . . 10.0 109.842 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 46' ' ' ILE . . . . . 0.525 HG13 HG11 ' C' ' 160' ' ' VAL . 24.9 mm -85.31 106.86 15.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.41 -0.359 . . . . 10.0 111.498 -178.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 47' ' ' ASP . . . . . 0.631 ' HA ' ' HB2' ' B' ' 128' ' ' LYS . 16.6 m-20 63.78 17.43 10.48 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 115.621 -0.718 . . . . 10.0 111.972 179.16 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.69 -13.54 38.69 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.36 -0.924 . . . . 10.0 112.734 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 49' ' ' GLU . . . . . 0.54 ' HB3' HH22 ' C' ' 164' ' ' ARG . 15.4 tt0 -98.04 145.38 26.58 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.916 0.388 . . . . 10.0 111.324 -179.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 5.5 m -74.37 123.73 25.17 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.805 -0.634 . . . . 10.0 109.594 178.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 10.9 m -138.54 144.07 39.75 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.116 0.484 . . . . 10.0 111.876 -179.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 46.4 tp -107.47 127.82 53.95 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.659 -0.701 . . . . 10.0 109.297 178.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . 0.464 ' O ' ' HA ' ' C' ' 41' ' ' ARG . 47.3 mt -102.22 119.83 39.46 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 112.642 0.608 . . . . 10.0 112.642 -178.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -102.51 88.77 3.34 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 107.248 -1.389 . . . . 10.0 107.248 177.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 55' ' ' ILE . . . . . 0.555 ' HA ' ' O ' ' C' ' 6' ' ' LEU . 54.6 mt -99.32 134.3 38.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.904 -0.589 . . . . 10.0 112.326 -177.519 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 6.8 tt -129.49 124.49 34.1 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.607 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -98.17 131.88 44.16 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.988 -0.375 . . . . 10.0 109.988 179.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 58' ' ' THR . . . . . 0.478 HG21 ' CE1' ' C' ' 71' ' ' TYR . 0.0 OUTLIER -112.65 172.56 6.85 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.418 -0.355 . . . . 10.0 110.873 179.668 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 59' ' ' ALA . . . . . 0.405 ' HB3' ' CE2' ' C' ' 64' ' ' TYR . . . -85.82 141.23 29.79 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.949 0.404 . . . . 10.0 110.979 -179.693 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -111.63 37.01 3.88 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.841 -0.695 . . . . 10.0 111.55 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -100.52 16.31 25.09 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.844 0.354 . . . . 10.0 111.21 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 62' ' ' GLU . . . . . 0.445 ' OE1' ' HA ' ' C' ' 62' ' ' GLU . 0.6 OUTLIER 63.1 -175.17 0.15 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.578 -0.737 . . . . 10.0 111.77 -179.458 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 70.98 23.79 4.17 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.39 0.614 . . . . 10.0 110.349 -179.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 64' ' ' TYR . . . . . 0.405 ' CE2' ' HB3' ' C' ' 59' ' ' ALA . 66.0 m-85 -124.33 26.97 7.19 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.464 -0.789 . . . . 10.0 110.508 -179.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.89 -27.58 66.83 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.776 -179.503 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -82.28 -49.98 9.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.903 0.382 . . . . 10.0 111.61 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 22.8 ttp -72.64 -9.24 58.37 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.985 -0.552 . . . . 10.0 112.267 -178.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -49.97 75.89 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.054 -0.521 . . . . 10.0 111.083 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.74 -34.72 67.81 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.787 -0.642 . . . . 10.0 112.141 -179.278 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -52.39 -56.2 16.58 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 112.739 0.644 . . . . 10.0 112.739 -179.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 71' ' ' TYR . . . . . 0.478 ' CE1' HG21 ' C' ' 58' ' ' THR . 42.5 p90 -86.82 -16.64 35.57 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.675 0.62 . . . . 10.0 112.675 -178.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 72' ' ' MET . . . . . 0.438 ' HA ' ' CZ ' ' C' ' 78' ' ' PHE . 39.8 mtt -77.69 -37.74 48.99 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.997 0.427 . . . . 10.0 111.515 179.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 73' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' C' ' 73' ' ' ARG . 39.4 ttm105 -71.86 -29.29 64.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.311 -0.404 . . . . 10.0 110.809 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -98.3 8.18 45.19 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.536 -179.286 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -95.3 131.07 10.54 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.522 -0.847 . . . . 10.0 112.499 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . 0.428 ' HG3' ' HB2' ' C' ' 5' ' ' LYS . 32.2 mt-10 -95.57 -36.86 11.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.174 0.511 . . . . 10.0 110.476 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -133.11 129.93 5.59 Favored Glycine 0 N--CA 1.45 -0.384 0 N-CA-C 110.592 -1.003 . . . . 10.0 110.592 179.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 78' ' ' PHE . . . . . 0.743 ' HB2' ' HG2' ' C' ' 111' ' ' MET . 95.8 m-85 -112.9 120.68 42.24 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 112.49 0.552 . . . . 10.0 112.49 -178.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . 0.477 ' HB2' HD22 ' C' ' 159' ' ' LEU . 25.0 tp -96.87 110.28 22.81 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.769 -0.65 . . . . 10.0 109.44 179.143 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 80' ' ' CYS . . . . . 0.736 ' HB3' HD12 ' C' ' 93' ' ' ILE . 28.7 m -88.03 103.82 16.07 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.707 -0.479 . . . . 10.0 109.707 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 81' ' ' VAL . . . . . 0.423 ' HB ' ' HG2' ' C' ' 16' ' ' LYS . 64.5 t -104.46 127.35 58.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.882 -0.599 . . . . 10.0 111.325 -179.043 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 27.5 p90 -132.65 165.83 23.56 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.964 -0.562 . . . . 10.0 109.516 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 83' ' ' ALA . . . . . 0.591 ' HB3' ' HB3' ' C' ' 86' ' ' ASN . . . -103.65 128.76 50.92 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 110.04 -0.356 . . . . 10.0 110.04 179.623 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 84' ' ' ILE . . . . . 0.72 HD12 ' HB3' ' C' ' 123' ' ' ARG . 2.3 pt -65.59 -20.02 26.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.052 0.453 . . . . 10.0 111.275 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 21.2 p-10 -98.36 12.28 35.39 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.921 -0.581 . . . . 10.0 111.022 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 86' ' ' ASN . . . . . 0.591 ' HB3' ' HB3' ' C' ' 83' ' ' ALA . 27.1 t-20 -143.88 97.07 3.0 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.826 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.42 -28.23 68.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.872 -0.604 . . . . 10.0 112.253 -179.389 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 88' ' ' LYS . . . . . 0.418 ' HB3' ' OD1' ' C' ' 86' ' ' ASN . 26.9 tptp -52.42 -52.09 55.71 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.251 -0.431 . . . . 10.0 111.103 179.602 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 35.7 p -63.46 -34.09 76.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.159 -0.473 . . . . 10.0 111.896 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -62.99 -41.64 99.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.774 0.321 . . . . 10.0 110.707 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -74.75 -34.15 62.46 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.736 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.35 -28.09 66.52 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.622 -0.717 . . . . 10.0 111.403 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 93' ' ' ILE . . . . . 0.736 HD12 ' HB3' ' C' ' 80' ' ' CYS . 47.5 mm -54.94 -44.79 74.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.957 -0.565 . . . . 10.0 111.462 179.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -59.47 -44.6 92.97 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.122 0.487 . . . . 10.0 110.592 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 84.7 m-70 -60.54 -38.96 86.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.745 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -74.7 -40.27 61.45 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.014 -0.539 . . . . 10.0 111.123 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 97' ' ' ARG . . . . . 0.587 ' HD3' ' OE1' ' C' ' 98' ' ' GLU . 9.7 ttt180 -58.22 -49.4 77.19 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.874 0.369 . . . . 10.0 110.731 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . 0.587 ' OE1' ' HD3' ' C' ' 97' ' ' ARG . 35.7 mm-40 -65.71 -33.56 76.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.56 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 99' ' ' GLN . . . . . 0.463 ' O ' HG23 ' C' ' 103' ' ' VAL . 3.9 mt-30 -66.04 -48.89 69.58 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.903 -0.589 . . . . 10.0 110.499 179.105 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 73.8 mt -55.59 -46.47 79.16 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.74 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 101' ' ' LYS . . . . . 0.462 ' HE3' ' HA ' ' C' ' 98' ' ' GLU . 14.5 mtmt -67.06 -27.14 67.14 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.893 -0.594 . . . . 10.0 111.307 -179.614 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 9.0 tmm_? -76.62 -36.37 57.48 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.961 0.41 . . . . 10.0 110.286 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 103' ' ' VAL . . . . . 0.463 HG23 ' O ' ' C' ' 99' ' ' GLN . 60.7 t -74.35 -44.06 48.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 10.0 111.04 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 30.5 mtpp -86.15 -10.2 55.23 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 111.964 0.357 . . . . 10.0 111.964 -178.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 3.7 t70 54.47 52.27 12.67 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.618 0.723 . . . . 10.0 111.499 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 57.2 m -158.15 138.55 12.65 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.58 -0.736 . . . . 10.0 109.619 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 36.8 tp10 -80.8 -32.12 35.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.174 0.511 . . . . 10.0 110.572 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.33 98.09 11.5 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.991 -0.549 . . . . 10.0 111.093 -179.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 109' ' ' VAL . . . . . 0.403 ' HA ' ' HD3' ' C' ' 110' ' ' PRO . 56.3 t -128.39 129.94 23.57 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 116.07 -0.514 . . . . 10.0 110.126 179.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 110' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' C' ' 109' ' ' VAL . 31.4 Cg_exo -60.31 111.17 0.93 Allowed 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.721 2.281 . . . . 10.0 111.124 179.126 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 111' ' ' MET . . . . . 0.743 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 63.8 mtm -143.39 153.68 42.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.426 -179.622 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 112' ' ' VAL . . . . . 0.424 HG12 HG23 ' C' ' 114' ' ' VAL . 74.7 t -136.69 135.97 48.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 109.334 -0.617 . . . . 10.0 109.334 179.296 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 113' ' ' LEU . . . . . 0.421 ' O ' ' HA ' ' C' ' 141' ' ' PHE . 22.2 tp -97.09 116.05 28.59 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 109.432 -0.581 . . . . 10.0 109.432 179.589 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 114' ' ' VAL . . . . . 0.424 HG23 HG12 ' C' ' 112' ' ' VAL . 41.2 t -123.27 127.46 74.43 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-O 120.967 0.413 . . . . 10.0 111.36 -178.669 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -96.94 131.8 10.75 Favored Glycine 0 N--CA 1.442 -0.932 0 N-CA-C 110.229 -1.148 . . . . 10.0 110.229 178.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -108.31 162.3 14.22 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.943 0.371 . . . . 10.0 110.889 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 117' ' ' LYS . . . . . 0.609 ' HE2' ' C4 ' ' C' ' 201' ' ' GSP . 90.8 mttt 62.75 27.53 16.13 Favored 'General case' 0 N--CA 1.46 0.071 0 O-C-N 123.737 0.648 . . . . 10.0 111.569 179.656 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 118' ' ' CYS . . . . . . . . . . . . . 71.2 m -65.16 -9.3 21.97 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 113.318 0.859 . . . . 10.0 113.318 -179.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 119' ' ' ASP . . . . . 0.473 ' CG ' ' HZ1' ' C' ' 147' ' ' LYS . 1.1 p-10 -95.02 2.61 55.33 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.737 0.304 . . . . 10.0 111.38 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 30.1 mt -84.67 136.06 39.83 Favored Pre-proline 0 C--N 1.327 -0.388 0 C-N-CA 121.006 -0.278 . . . . 10.0 110.634 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -67.01 144.13 68.66 Favored 'Trans proline' 0 C--O 1.235 0.342 0 C-N-CA 123.068 2.512 . . . . 10.0 112.381 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 7.1 m 66.42 88.2 0.11 Allowed 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.646 -0.706 . . . . 10.0 111.97 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 123' ' ' ARG . . . . . 0.72 ' HB3' HD12 ' C' ' 84' ' ' ILE . 8.2 ptp180 -97.67 143.86 27.9 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.969 -0.559 . . . . 10.0 111.182 179.632 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.71 -37.24 13.84 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.178 0.513 . . . . 10.0 110.172 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 59.2 t -89.89 126.19 42.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.569 -0.741 . . . . 10.0 109.53 179.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -80.45 143.3 33.51 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.371 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.23 -50.65 72.82 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.321 -0.399 . . . . 10.0 110.918 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 128' ' ' LYS . . . . . 0.696 ' HB2' ' HA ' ' B' ' 47' ' ' ASP . 0.0 OUTLIER -57.19 -40.24 77.0 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 113.072 0.767 . . . . 10.0 113.072 -179.381 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -68.7 -38.68 80.45 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 120.495 -0.482 . . . . 10.0 111.186 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -70.89 -36.9 72.94 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 121.024 0.44 . . . . 10.0 110.014 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 131' ' ' GLN . . . . . 0.498 ' HB3' ' CZ ' ' B' ' 161' ' ' ARG . 96.7 mt-30 -65.25 -46.28 81.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.718 -0.674 . . . . 10.0 110.597 179.404 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -65.54 -37.54 87.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 10.0 111.04 179.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 22.6 tp -60.45 -49.04 79.14 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.209 -0.45 . . . . 10.0 109.926 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.04 -38.92 93.1 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.009 179.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 135' ' ' ARG . . . . . 0.638 ' HD3' ' HB2' ' B' ' 165' ' ' LYS . 5.3 tmm_? -63.26 -42.55 99.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.595 -0.729 . . . . 10.0 110.134 179.266 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 7.4 t -61.28 -35.3 76.94 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.056 -0.52 . . . . 10.0 111.585 -179.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -86.67 -33.07 20.19 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.265 0.469 . . . . 10.0 112.265 -179.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 102.99 29.25 5.86 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.819 -0.705 . . . . 10.0 112.549 179.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 36.0 pt -120.09 148.46 46.99 Favored Pre-proline 0 C--N 1.32 -0.708 0 N-CA-C 110.084 -0.339 . . . . 10.0 110.084 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -70.82 141.58 41.23 Favored 'Trans proline' 0 C--O 1.234 0.302 0 C-N-CA 122.894 2.396 . . . . 10.0 111.595 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 141' ' ' PHE . . . . . 0.421 ' HA ' ' O ' ' C' ' 113' ' ' LEU . 69.4 t80 -116.92 127.41 54.21 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.369 -0.378 . . . . 10.0 110.336 179.616 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 142' ' ' ILE . . . . . 0.448 ' CD1' ' HA ' ' C' ' 155' ' ' ALA . 47.5 mt -129.63 133.82 64.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 116.278 -0.419 . . . . 10.0 111.396 -179.463 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.22 124.21 41.23 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 108.646 -0.872 . . . . 10.0 108.646 178.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 144' ' ' THR . . . . . 0.409 HG22 ' HA3' ' C' ' 151' ' ' GLY . 14.8 p -143.39 -177.39 5.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.707 0.765 . . . . 10.0 112.945 -178.183 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 145' ' ' SER . . . . . 0.426 ' HB3' ' OG1' ' C' ' 148' ' ' THR . 26.0 t -150.96 125.74 9.7 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.022 -1.103 . . . . 10.0 108.022 178.658 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 146' ' ' ALA . . . . . 0.605 ' HB3' ' N7 ' ' C' ' 201' ' ' GSP . . . -71.99 -20.89 61.65 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.15 0.5 . . . . 10.0 110.381 -179.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 147' ' ' LYS . . . . . 0.473 ' HZ1' ' CG ' ' C' ' 119' ' ' ASP . 5.6 ttpm? -73.83 -46.98 41.76 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.718 -0.674 . . . . 10.0 110.861 179.454 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 148' ' ' THR . . . . . 0.426 ' OG1' ' HB3' ' C' ' 145' ' ' SER . 7.9 p -81.8 -23.93 36.25 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.912 -0.315 . . . . 10.0 110.7 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 149' ' ' ARG . . . . . 0.44 ' O ' ' HG3' ' C' ' 149' ' ' ARG . 0.5 OUTLIER 69.32 7.32 6.17 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 123.648 0.779 . . . . 10.0 112.48 -179.903 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -80.46 126.41 31.17 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.966 -0.561 . . . . 10.0 111.002 -179.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 151' ' ' GLY . . . . . 0.409 ' HA3' HG22 ' C' ' 144' ' ' THR . . . 90.09 -15.23 60.06 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 121.081 -0.581 . . . . 10.0 112.853 179.441 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 92.4 t -57.11 -43.44 81.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-O 121.148 0.499 . . . . 10.0 111.402 -179.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -65.46 -45.42 83.82 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.296 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -63.62 -36.39 83.66 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.073 -0.512 . . . . 10.0 111.605 -179.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 155' ' ' ALA . . . . . 0.448 ' HA ' ' CD1' ' C' ' 142' ' ' ILE . . . -59.15 -53.37 59.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.308 179.519 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -64.91 -37.41 87.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.13 -0.487 . . . . 10.0 110.765 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -60.21 -45.71 92.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.027 0.442 . . . . 10.0 110.653 179.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 158' ' ' THR . . . . . 0.401 ' HA ' ' HE ' ' C' ' 161' ' ' ARG . 30.3 m -62.87 -37.77 88.22 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.543 179.495 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 159' ' ' LEU . . . . . 0.62 HD23 HD13 ' C' ' 6' ' ' LEU . 23.3 tp -59.4 -39.44 83.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.073 0.463 . . . . 10.0 110.015 179.14 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 160' ' ' VAL . . . . . 0.525 HG11 HG13 ' C' ' 46' ' ' ILE . 98.3 t -68.08 -40.84 83.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.858 179.301 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 161' ' ' ARG . . . . . 0.617 ' HG2' HH21 ' B' ' 135' ' ' ARG . 0.0 OUTLIER -64.33 -34.42 78.11 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.337 0.495 . . . . 10.0 112.337 -179.205 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -59.78 -37.38 78.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.869 0.366 . . . . 10.0 110.864 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 65.6 mt -66.32 -40.97 88.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 109.648 -0.501 . . . . 10.0 109.648 178.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 164' ' ' ARG . . . . . 0.612 HH12 ' HB2' ' C' ' 47' ' ' ASP . 98.9 mtt180 -65.18 -40.08 93.76 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.882 -0.599 . . . . 10.0 109.896 179.044 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -64.53 -48.37 75.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.467 -0.788 . . . . 10.0 110.09 179.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 166' ' ' HIS . . . . . 0.536 ' O ' ' HB2' ' C' ' 170' ' ' MET . 15.8 t-80 -57.8 -46.76 84.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.706 -0.679 . . . . 10.0 110.852 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -63.32 -45.79 89.69 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.243 0.46 . . . . 10.0 112.243 -179.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.18 -53.54 51.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.076 0.465 . . . . 10.0 111.092 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -63.51 -33.24 75.14 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.78 -0.645 . . . . 10.0 112.035 -179.009 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 170' ' ' MET . . . . . 0.536 ' HB2' ' O ' ' C' ' 166' ' ' HIS . 0.9 OUTLIER -74.15 -22.15 59.56 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.868 0.322 . . . . 10.0 111.868 179.898 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 48.1 m -71.32 -20.22 62.21 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.454 -0.572 . . . . 10.0 109.454 179.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 50.6 mttm -104.42 -2.12 25.84 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.613 -0.722 . . . . 10.0 110.023 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 173' ' ' ASP . . . . . . . . . . . . . 11.6 t70 73.29 -51.57 0.7 Allowed 'General case' 0 N--CA 1.465 0.305 0 O-C-N 124.237 0.961 . . . . 10.0 111.732 -179.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . -160.9 -86.53 0.06 OUTLIER Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 111.418 -0.673 . . . . 10.0 111.418 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 175' ' ' LYS . . . . . . . . . . . . . 50.0 mttt -140.09 -94.01 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 110.628 -0.138 . . . . 10.0 110.628 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 176' ' ' LYS . . . . . 0.434 ' HE2' ' HB3' ' C' ' 176' ' ' LYS . 4.7 mtpt 54.39 56.02 7.39 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.061 0.458 . . . . 10.0 111.782 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 177' ' ' LYS . . . . . 0.707 ' O ' ' H52' ' C' ' 212' ' ' PCW . 22.4 ttpt -135.54 -76.0 0.44 Allowed 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.653 -0.419 . . . . 10.0 111.832 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 178' ' ' LYS . . . . . 0.623 ' HG3' ' H1A' ' C' ' 215' ' ' 17F . 16.9 mmtm 65.5 179.14 0.2 Allowed 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.022 -0.536 . . . . 10.0 111.691 -178.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 179' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -156.39 141.47 17.29 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.956 -0.387 . . . . 10.0 109.956 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 180' ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -142.31 126.29 17.26 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.171 -0.468 . . . . 10.0 109.835 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 1.1 p -157.94 85.04 0.88 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.716 -0.675 . . . . 10.0 110.061 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 182' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -109.51 113.02 25.47 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.13 0.49 . . . . 10.0 112.007 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 183' ' ' THR . . . . . 0.578 HG22 ' H51' ' C' ' 210' ' ' PCW . 0.0 OUTLIER -87.18 160.62 18.44 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.506 -0.77 . . . . 10.0 110.25 179.616 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 184' ' ' LYS . . . . . 0.567 ' HB2' ' H41' ' C' ' 210' ' ' PCW . 51.5 mmtt . . . . . 0 C--O 1.233 0.228 0 C-N-CA 121.017 -0.273 . . . . 10.0 111.451 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 401' ' ' PCW . . . . . 0.852 H472 H241 ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 402' ' ' PCW . . . . . 0.946 ' C41' H381 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 403' ' ' PCW . . . . . 1.126 ' H31' ' H41' ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 404' ' ' PCW . . . . . 1.055 ' O2P' ' H52' ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 405' ' ' PCW . . . . . 1.016 H371 H461 ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 406' ' ' PCW . . . . . 1.055 ' H52' ' O2P' ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 407' ' ' PCW . . . . . 1.091 H212 ' C17' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 408' ' ' PCW . . . . . 0.948 H131 H231 ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 409' ' ' PCW . . . . . 1.245 ' C19' H142 ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 410' ' ' PCW . . . . . 1.002 H321 ' H51' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 411' ' ' PCW . . . . . 1.016 H461 H371 ' A' ' 405' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 412' ' ' PCW . . . . . 0.989 H483 H271 ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 413' ' ' PCW . . . . . 1.013 ' H39' H271 ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 414' ' ' PCW . . . . . 1.059 H341 ' H32' ' A' ' 415' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 415' ' ' 17F . . . . . 1.059 ' H32' H341 ' A' ' 414' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 416' ' ' 17F . . . . . 1.004 ' H57' H211 ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 417' ' ' PCW . . . . . 1.039 H161 H331 ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 418' ' ' PCW . . . . . 1.017 H422 H231 ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 419' ' ' PCW . . . . . 0.969 H251 H412 ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 420' ' ' PCW . . . . . 1.041 H372 H431 ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 421' ' ' PCW . . . . . 0.858 ' H63' ' O11' ' A' ' 421' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 422' ' ' 17F . . . . . 1.126 ' H6 ' ' C14' ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 601' ' ' PCW . . . . . 0.979 H421 H461 ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 602' ' ' PCW . . . . . 0.956 H212 ' C17' ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 603' ' ' PCW . . . . . 1.118 ' H41' ' H2 ' ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 604' ' ' PCW . . . . . 1.098 H482 H282 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 605' ' ' PCW . . . . . 1.075 H182 H362 ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 606' ' ' PCW . . . . . 1.097 H172 H212 ' D' ' 606' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 607' ' ' PCW . . . . . 1.098 H432 H472 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 608' ' ' PCW . . . . . 1.075 ' H20' ' H18' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 609' ' ' PCW . . . . . 1.009 ' H31' H422 ' D' ' 606' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 610' ' ' PCW . . . . . 1.043 ' H63' ' H6A' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 611' ' ' PCW . . . . . 1.038 H351 H222 ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 612' ' ' PCW . . . . . 1.091 H172 H351 ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 613' ' ' PCW . . . . . 1.017 H231 H422 ' A' ' 418' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 614' ' ' PCW . . . . . 1.075 H362 H182 ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 615' ' ' PCW . . . . . 0.985 H461 H421 ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 616' ' ' PCW . . . . . 0.927 ' H51' ' O4 ' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 617' ' ' PCW . . . . . 1.008 H371 H142 ' D' ' 619' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 618' ' ' PCW . . . . . 1.041 H431 H372 ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 619' ' ' PCW . . . . . 1.027 H251 H451 ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 620' ' ' PCW . . . . . 1.067 H211 H482 ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 621' ' ' PCW . . . . . 1.046 ' H41' ' H2 ' ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 622' ' ' PCW . . . . . 1.126 ' C14' ' H6 ' ' A' ' 422' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 623' ' ' PCW . . . . . 1.144 ' H20' H481 ' B' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 624' ' ' PCW . . . . . 1.086 H242 H242 ' C' ' 217' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 625' ' ' PCW . . . . . 1.061 H261 H421 ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 626' ' ' PCW . . . . . 1.098 H282 H482 ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 627' ' ' PCW . . . . . 1.035 ' H20' ' C35' ' C' ' 217' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 628' ' ' 17F . . . . . 1.075 ' H18' ' H20' ' D' ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 629' ' ' 17F . . . . . 0.994 ' H46' H182 ' D' ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 630' ' ' 17F . . . . . 0.684 ' C9 ' H122 ' A' ' 421' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 631' ' ' 17F . . . . . 1.043 ' H6A' ' H63' ' D' ' 610' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 632' ' ' 17F . . . . . 0.927 ' O4 ' ' H51' ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 201' ' ' GSP . . . . . 0.792 H5'2 ' HE1' ' B' ' 32' ' ' TYR . . . . . . . . 0 O4'--C1' 1.437 1.926 2 O4'-C1'-N19 112.978 4.778 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 202' ' ' ' MG' . . . . . 0.617 'MG ' ' O3G' ' B' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 203' ' ' PCW . . . . . 1.144 H481 ' H20' ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 204' ' ' PCW . . . . . 1.005 H171 H211 ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 205' ' ' PCW . . . . . 1.039 ' H12' ' H42' ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 206' ' ' PCW . . . . . 0.998 ' O4P' ' H31' ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 207' ' ' PCW . . . . . 0.933 ' H62' H121 ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 208' ' ' PCW . . . . . 1.032 H321 ' H82' ' C' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 209' ' ' 17F . . . . . 1.007 ' H33' ' H42' ' A' ' 415' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 210' ' ' 17F . . . . . 1.022 ' H58' H232 ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 211' ' ' 17F . . . . . 1.047 ' H47' H422 ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 201' ' ' GSP . . . . . 0.645 H5'2 ' CD1' ' C' ' 32' ' ' TYR . . . . . . . . 0 O4'--C1' 1.438 1.96 2 O4'-C1'-N19 113.597 5.397 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 202' ' ' ' MG' . . . . . 0.637 'MG ' ' O3G' ' C' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 203' ' ' PCW . . . . . 1.027 H132 H171 ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 204' ' ' PCW . . . . . 1.072 H242 ' H20' ' C' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 205' ' ' PCW . . . . . 1.07 H231 H261 ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 206' ' ' PCW . . . . . 1.099 H241 H411 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 207' ' ' PCW . . . . . 1.111 H421 ' H32' ' C' ' 213' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 208' ' ' PCW . . . . . 1.099 H411 H241 ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 209' ' ' PCW . . . . . 1.101 ' O4P' ' H32' ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 210' ' ' PCW . . . . . 1.072 ' H20' H242 ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 211' ' ' PCW . . . . . 1.048 H372 ' H12' ' B' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 212' ' ' PCW . . . . . 1.093 ' C18' H452 ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 213' ' ' 17F . . . . . 1.111 ' H32' H421 ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 214' ' ' 17F . . . . . 0.961 ' O7 ' H121 ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 215' ' ' 17F . . . . . 1.054 ' H59' H412 ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 216' ' ' PCW . . . . . 1.075 H442 H341 ' C' ' 217' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 217' ' ' PCW . . . . . 1.086 H242 H242 ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 218' ' ' 17F . . . . . 1.028 ' H76' H462 ' C' ' 216' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 219' ' ' 17F . . . . . 1.057 ' H67' ' H39' ' A' ' 422' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' LEU . . . . . 0.485 HD23 HD12 ' A' ' 204' ' ' LEU . 76.4 mt . . . . . 0 N--CA 1.461 0.109 0 CA-C-O 121.071 0.462 . . . . 10.0 110.311 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 8.4 tmtm? -59.65 -47.63 84.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.464 -0.789 . . . . 10.0 111.133 -179.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 96.0 mt -71.57 -23.92 61.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.434 . . . . 10.0 111.409 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 204' ' ' LEU . . . . . 0.485 HD12 HD23 ' A' ' 201' ' ' LEU . 73.5 mt -79.03 -50.26 11.36 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.886 0.374 . . . . 10.0 111.19 -179.54 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -63.47 -45.65 89.82 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.87 -0.604 . . . . 10.0 111.169 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -62.68 -31.3 72.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.846 -0.615 . . . . 10.0 110.664 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 24.5 t90 -67.81 -35.57 78.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.764 -0.653 . . . . 10.0 110.226 179.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -63.62 -38.28 90.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.909 0.385 . . . . 10.0 110.128 179.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 1.6 m -63.28 -42.99 99.16 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.003 -0.544 . . . . 10.0 109.638 178.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 61.7 t -67.01 -39.25 82.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 109.275 -0.639 . . . . 10.0 109.275 178.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 84.8 m -61.39 -46.91 88.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.746 -0.661 . . . . 10.0 110.63 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.6 -30.99 72.01 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.062 0.458 . . . . 10.0 110.375 179.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 47.3 m -65.82 -42.41 90.64 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 108.449 -0.945 . . . . 10.0 108.449 177.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -68.1 -35.25 77.86 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.496 -0.775 . . . . 10.0 110.193 179.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 13.7 m -62.35 -49.9 73.74 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.447 -0.575 . . . . 10.0 109.447 178.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 28.3 mmtp -64.23 -33.93 76.93 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.121 179.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 217' ' ' LEU . . . . . 0.637 HD11 H251 ' A' ' 405' ' ' PCW . 20.5 mt -65.01 -46.02 83.12 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.274 178.621 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 218' ' ' ARG . . . . . 0.502 ' HA ' HD12 ' A' ' 221' ' ' LEU . 82.1 mtt180 -62.92 -33.41 75.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.091 0.472 . . . . 10.0 110.187 179.239 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -68.78 -39.45 80.16 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.533 -0.758 . . . . 10.0 110.21 178.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -75.82 -33.16 60.07 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.243 179.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 221' ' ' LEU . . . . . 0.502 HD12 ' HA ' ' A' ' 218' ' ' ARG . 24.8 mt -52.99 -34.58 56.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.761 -0.654 . . . . 10.0 111.105 179.334 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -57.87 -70.56 0.95 Allowed Glycine 0 C--N 1.334 0.428 0 N-CA-C 111.274 -0.731 . . . . 10.0 111.274 178.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -53.54 -40.96 77.06 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.508 2.139 . . . . 10.0 111.544 178.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 224' ' ' VAL . . . . . 0.47 ' O ' ' HB2' ' A' ' 228' ' ' PHE . 21.2 t -55.86 -52.86 44.38 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.156 0 CA-C-N 116.619 -0.264 . . . . 10.0 111.494 179.494 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 7.7 p -64.17 -38.76 92.22 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.73 -0.388 . . . . 10.0 110.797 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 226' ' ' GLN . . . . . 0.431 HE21 ' HB3' ' A' ' 226' ' ' GLN . 6.2 mt-30 -60.08 -51.19 70.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.35 -0.386 . . . . 10.0 110.457 179.189 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -65.78 -42.86 90.28 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.343 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 228' ' ' PHE . . . . . 0.47 ' HB2' ' O ' ' A' ' 224' ' ' VAL . 0.2 OUTLIER -59.72 -51.91 67.74 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.048 -0.524 . . . . 10.0 110.798 179.452 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 19.9 m95 -64.82 -37.83 88.94 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 116.423 -0.353 . . . . 10.0 111.265 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -61.43 -50.42 72.89 Favored 'General case' 0 C--N 1.333 -0.117 0 N-CA-C 109.663 -0.495 . . . . 10.0 109.663 178.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 231' ' ' ASN . . . . . 0.788 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 81.0 m-20 -66.12 -39.11 89.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.358 179.082 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 11.5 mt -62.45 -38.43 89.73 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.711 -0.477 . . . . 10.0 109.711 178.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 233' ' ' GLU . . . . . 0.526 ' HA ' ' OG1' ' A' ' 236' ' ' THR . 4.9 mm-40 -68.54 -25.77 65.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.729 178.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 234' ' ' LYS . . . . . 0.788 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 69.7 mttt -71.94 -40.45 68.73 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.053 -1.091 . . . . 10.0 108.053 177.43 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 235' ' ' GLU . . . . . 0.438 ' HG3' ' ND2' ' D' ' 539' ' ' ASN . 45.4 mt-10 -69.24 -45.08 70.65 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 114.98 -1.009 . . . . 10.0 110.09 179.316 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 236' ' ' THR . . . . . 0.526 ' OG1' ' HA ' ' A' ' 233' ' ' GLU . 18.4 p -65.0 -40.04 94.35 Favored 'General case' 0 C--O 1.223 -0.323 0 N-CA-C 109.568 -0.53 . . . . 10.0 109.568 178.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 237' ' ' GLU . . . . . 0.51 ' HA ' ' HD2' ' A' ' 240' ' ' ARG . 22.4 tt0 -58.89 -43.93 91.06 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 109.222 -0.659 . . . . 10.0 109.222 178.472 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -63.53 -45.49 94.62 Favored Glycine 0 N--CA 1.444 -0.783 0 N-CA-C 110.304 -1.118 . . . . 10.0 110.304 178.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 72.8 mt -63.48 -26.09 68.56 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.722 0.296 . . . . 10.0 110.684 179.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 240' ' ' ARG . . . . . 0.51 ' HD2' ' HA ' ' A' ' 237' ' ' GLU . 60.6 mtt180 -72.67 -40.0 66.65 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.125 -0.694 . . . . 10.0 109.125 178.467 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -68.92 -43.68 74.65 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.229 -1.026 . . . . 10.0 108.229 177.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -69.14 -21.47 64.01 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.194 -0.912 . . . . 10.0 110.995 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 49.9 ttm -64.41 -38.69 91.9 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.198 0.523 . . . . 10.0 109.615 178.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 244' ' ' SER . . . . . 0.585 ' HA ' ' HG2' ' A' ' 248' ' ' GLU . 2.1 m -76.61 7.14 4.86 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.39 -0.823 . . . . 10.0 110.044 179.227 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -120.97 -58.84 1.78 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.36 -0.607 . . . . 10.0 109.36 178.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 246' ' ' ASP . . . . . 0.606 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 1.5 m-20 -56.27 -54.34 46.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 10.0 111.245 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 247' ' ' LEU . . . . . 0.432 ' O ' HG12 ' A' ' 250' ' ' VAL . 63.1 mt -77.46 -45.44 25.7 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.845 0.683 . . . . 10.0 112.845 -178.552 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 248' ' ' GLU . . . . . 0.585 ' HG2' ' HA ' ' A' ' 244' ' ' SER . 70.4 mm-40 -61.01 -49.44 77.41 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.366 0.506 . . . . 10.0 112.366 -179.182 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -67.6 -37.91 83.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.416 -0.357 . . . . 10.0 110.701 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 250' ' ' VAL . . . . . 0.743 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 0.9 OUTLIER -67.45 -28.07 40.85 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.343 0 C-N-CA 120.428 -0.509 . . . . 10.0 110.79 179.551 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . 0.446 ' O ' HG12 ' A' ' 254' ' ' VAL . 56.1 mttt -78.08 -40.87 37.17 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 109.917 -0.401 . . . . 10.0 109.917 178.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -68.77 -36.64 78.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.798 -0.637 . . . . 10.0 109.958 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -83.83 -25.48 30.32 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.698 -0.683 . . . . 10.0 112.167 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 254' ' ' VAL . . . . . 0.743 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.5 OUTLIER -62.71 -26.37 40.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.9 0.381 . . . . 10.0 110.616 179.561 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 255' ' ' GLN . . . . . 0.554 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 44.9 mt-30 -61.78 -63.22 4.52 Favored Pre-proline 0 N--CA 1.452 -0.374 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.438 179.624 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 256' ' ' PRO . . . . . 0.554 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 36.7 Cg_endo -66.92 -32.08 36.49 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 121.799 1.666 . . . . 10.0 111.751 178.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 4.6 m-30 -61.87 -55.87 25.21 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.868 0.366 . . . . 10.0 110.461 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 43.2 mt -68.18 -31.97 71.89 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 115.954 -0.567 . . . . 10.0 111.027 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 259' ' ' ASP . . . . . 0.428 ' O ' ' HB2' ' A' ' 263' ' ' LYS . 8.1 t70 -67.33 -44.94 77.86 Favored 'General case' 0 C--O 1.224 -0.274 0 N-CA-C 110.124 -0.325 . . . . 10.0 110.124 179.18 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -61.51 -48.29 81.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.016 -0.538 . . . . 10.0 109.786 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 261' ' ' PHE . . . . . 0.5 ' O ' ' HB2' ' A' ' 265' ' ' TRP . 13.6 m-85 -65.04 -40.61 95.04 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 115.876 -0.602 . . . . 10.0 111.16 179.541 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -66.51 -42.29 87.55 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.775 -0.454 . . . . 10.0 109.775 179.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 263' ' ' LYS . . . . . 0.428 ' HB2' ' O ' ' A' ' 259' ' ' ASP . 11.8 ttmm -56.55 -53.4 58.04 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.126 -0.694 . . . . 10.0 109.126 178.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 264' ' ' LYS . . . . . 0.532 ' O ' ' HG3' ' A' ' 268' ' ' GLU . 75.2 mttt -66.62 -35.61 80.6 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.49 -0.777 . . . . 10.0 111.125 179.474 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 265' ' ' TRP . . . . . 0.5 ' HB2' ' O ' ' A' ' 261' ' ' PHE . 0.1 OUTLIER -62.37 -43.77 98.03 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 120.978 0.418 . . . . 10.0 110.39 179.417 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -61.59 -41.29 97.21 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.364 -0.606 . . . . 10.0 109.364 178.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 267' ' ' GLU . . . . . 0.435 ' O ' ' HG ' ' A' ' 271' ' ' LEU . 43.3 mt-10 -66.19 -36.64 83.61 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.682 -0.69 . . . . 10.0 109.835 178.421 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 268' ' ' GLU . . . . . 0.573 ' HG2' ' HD3' ' D' ' 506' ' ' ARG . 28.0 mt-10 -63.15 -46.19 88.34 Favored 'General case' 0 CA--C 1.519 -0.217 0 N-CA-C 108.385 -0.969 . . . . 10.0 108.385 177.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 87.8 mmm -61.73 -38.8 89.27 Favored 'General case' 0 C--O 1.225 -0.21 0 CA-C-N 115.705 -0.679 . . . . 10.0 109.832 178.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -63.55 -43.27 97.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.151 -0.477 . . . . 10.0 109.8 178.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 271' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 267' ' ' GLU . 88.6 mt -66.06 -36.38 83.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.768 -0.651 . . . . 10.0 109.693 178.609 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -68.06 -41.12 82.46 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.455 -0.572 . . . . 10.0 109.455 178.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 63.2 mtt180 -63.28 -45.86 89.52 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 115.921 -0.582 . . . . 10.0 110.916 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -72.48 -8.01 52.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.367 -0.379 . . . . 10.0 111.927 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 275' ' ' LYS . . . . . 0.826 ' HG2' HD21 ' D' ' 499' ' ' LEU . 9.9 mptt -104.57 -45.95 4.49 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.504 -0.317 . . . . 10.0 110.965 179.21 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 8.6 p -54.98 -33.48 29.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 112.676 0.621 . . . . 10.0 112.676 -179.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 277' ' ' GLU . . . . . 0.418 ' HB2' ' HD3' ' A' ' 278' ' ' PRO . 57.4 mt-10 -66.94 -61.55 4.76 Favored Pre-proline 0 C--N 1.329 -0.3 0 C-N-CA 120.841 -0.344 . . . . 10.0 111.915 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 278' ' ' PRO . . . . . 0.418 ' HD3' ' HB2' ' A' ' 277' ' ' GLU . 34.4 Cg_endo -66.0 -37.66 25.43 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 121.882 1.721 . . . . 10.0 112.172 178.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 279' ' ' LEU . . . . . 0.861 HD22 ' HE3' ' D' ' 495' ' ' LYS . 22.8 mt -62.96 -40.36 97.46 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 121.027 -0.269 . . . . 10.0 110.692 179.267 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 37.3 ttm180 -66.41 -32.97 74.69 Favored 'General case' 0 C--N 1.334 -0.085 0 N-CA-C 109.406 -0.591 . . . . 10.0 109.406 178.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -66.0 -49.2 68.61 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.009 -0.737 . . . . 10.0 109.009 178.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -60.0 -45.28 93.28 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.686 -0.688 . . . . 10.0 109.444 178.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 20.9 mt -60.36 -44.41 95.6 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 115.654 -0.703 . . . . 10.0 110.674 179.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -65.5 -47.44 75.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.682 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -59.91 -48.01 83.44 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.757 -0.46 . . . . 10.0 109.757 179.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -62.46 -46.02 94.69 Favored Glycine 0 N--CA 1.441 -1.033 0 N-CA-C 111.337 -0.705 . . . . 10.0 111.337 179.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -60.46 -44.22 96.08 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 110.559 -0.163 . . . . 10.0 110.559 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 81.4 mtt180 -57.09 -50.4 72.89 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 123.389 0.431 . . . . 10.0 110.11 179.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -64.59 -46.52 82.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.962 -0.563 . . . . 10.0 111.475 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 290' ' ' LYS . . . . . 0.415 ' O ' ' HG ' ' A' ' 294' ' ' LEU . 73.5 mttt -63.09 -43.97 97.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.421 -0.354 . . . . 10.0 110.99 -179.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 291' ' ' LEU . . . . . 0.618 HD23 HD12 ' A' ' 294' ' ' LEU . 87.8 mt -67.98 -33.67 75.07 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.441 -0.345 . . . . 10.0 110.834 179.38 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -68.17 -41.62 81.21 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.024 -0.732 . . . . 10.0 109.024 178.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.02 -31.83 73.16 Favored 'General case' 0 N--CA 1.457 -0.08 0 N-CA-C 109.152 -0.685 . . . . 10.0 109.152 178.563 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 294' ' ' LEU . . . . . 0.618 HD12 HD23 ' A' ' 291' ' ' LEU . 73.4 mt -70.0 -41.44 74.36 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.016 -0.735 . . . . 10.0 109.016 177.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -63.12 -31.36 72.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.801 -0.636 . . . . 10.0 109.695 178.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 48.2 mm-40 -65.3 -11.1 38.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.548 -0.751 . . . . 10.0 110.663 178.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . 0.457 ' O ' ' HB2' ' A' ' 301' ' ' LEU . 5.6 mmtp -117.69 -39.46 3.13 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.321 -0.399 . . . . 10.0 110.297 179.587 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 81.5 mt -61.42 -30.9 70.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.26 -0.427 . . . . 10.0 111.833 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 299' ' ' SER . . . . . 0.513 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 19.7 m -79.87 -63.56 0.36 Allowed Pre-proline 0 CA--C 1.542 0.643 0 N-CA-C 113.017 0.747 . . . . 10.0 113.017 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 300' ' ' PRO . . . . . 0.513 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 43.4 Cg_endo -68.32 -53.8 0.35 Allowed 'Trans proline' 0 C--N 1.355 0.874 0 C-N-CA 121.914 1.743 . . . . 10.0 112.563 -179.357 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 301' ' ' LEU . . . . . 0.457 ' HB2' ' O ' ' A' ' 297' ' ' LYS . 79.6 mt -65.93 -30.52 71.11 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.788 0.327 . . . . 10.0 110.162 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 302' ' ' GLY . . . . . 0.43 ' O ' ' HG3' ' A' ' 306' ' ' ARG . . . -66.01 -44.0 92.39 Favored Glycine 0 N--CA 1.445 -0.731 0 N-CA-C 110.243 -1.143 . . . . 10.0 110.243 178.427 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -68.08 -41.74 81.45 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.434 -0.58 . . . . 10.0 109.434 178.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -60.93 -39.17 88.42 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.761 -0.654 . . . . 10.0 109.748 178.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 305' ' ' MET . . . . . 0.572 ' SD ' ' HE3' ' D' ' 473' ' ' LYS . 13.5 tpt -62.62 -34.81 77.78 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.758 -0.655 . . . . 10.0 109.964 179.12 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 306' ' ' ARG . . . . . 0.49 ' O ' ' HG3' ' A' ' 310' ' ' ARG . 91.3 mtt180 -69.83 -43.43 71.99 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 121.146 0.498 . . . . 10.0 109.689 179.217 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -60.95 -47.28 87.16 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.785 -0.643 . . . . 10.0 109.547 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 308' ' ' ARG . . . . . 0.5 ' HG3' HD21 ' D' ' 469' ' ' LEU . 10.2 mmt180 -69.92 -26.72 64.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.787 178.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -69.19 -39.22 78.79 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 108.769 -0.826 . . . . 10.0 108.769 178.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 310' ' ' ARG . . . . . 0.49 ' HG3' ' O ' ' A' ' 306' ' ' ARG . 80.4 mtt180 -59.24 -46.36 88.71 Favored 'General case' 0 CA--C 1.516 -0.327 0 N-CA-C 108.641 -0.874 . . . . 10.0 108.641 177.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -66.39 -41.03 89.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.622 -0.717 . . . . 10.0 110.108 179.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 312' ' ' HIS . . . . . 0.56 ' HE1' ' HB2' ' D' ' 465' ' ' GLU . 0.1 OUTLIER -56.68 -51.95 66.81 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.016 178.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 58.6 t -73.35 -35.1 45.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.581 -0.736 . . . . 10.0 111.78 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -61.63 -46.76 88.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.665 0.269 . . . . 10.0 110.559 179.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -62.31 -35.95 80.63 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.172 -0.677 . . . . 10.0 109.172 178.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 29.4 mt -67.83 -45.72 73.87 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.456 178.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 9.1 mtm105 -59.88 -51.86 67.92 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.982 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 1.9 m -63.37 -23.15 67.28 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.076 -0.511 . . . . 10.0 111.754 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 319' ' ' HIS . . . . . 0.489 ' CE1' ' HB2' ' D' ' 458' ' ' ASP . 2.6 m80 -91.4 -44.63 9.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.745 0.307 . . . . 10.0 111.665 179.471 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . 0.485 ' HA ' ' HB2' ' A' ' 323' ' ' TYR . 93.7 mt -71.87 -25.68 62.05 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.432 0.531 . . . . 10.0 112.432 -179.19 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -58.06 -58.21 20.34 Favored Pre-proline 0 CA--C 1.538 0.488 0 N-CA-C 111.442 0.164 . . . . 10.0 111.442 179.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -68.2 -27.43 35.1 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 121.616 1.544 . . . . 10.0 110.545 178.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 323' ' ' TYR . . . . . 0.485 ' HB2' ' HA ' ' A' ' 320' ' ' LEU . 11.6 m-30 -65.73 -43.96 87.48 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.402 179.045 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 324' ' ' SER . . . . . 0.476 ' HA ' ' HB2' ' A' ' 327' ' ' LEU . 3.0 p -70.83 -31.44 68.17 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 109.257 -0.646 . . . . 10.0 109.257 178.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -62.16 -44.65 96.15 Favored 'General case' 0 N--CA 1.462 0.167 0 N-CA-C 108.633 -0.877 . . . . 10.0 108.633 177.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -70.0 -35.22 74.21 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-N 115.525 -0.761 . . . . 10.0 109.205 178.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . 0.476 ' HB2' ' HA ' ' A' ' 324' ' ' SER . 13.7 mt -61.54 -39.07 89.76 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.223 178.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 328' ' ' ARG . . . . . 0.476 ' HG3' ' O ' ' A' ' 324' ' ' SER . 70.6 mtt180 -59.99 -43.68 95.01 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.267 -0.642 . . . . 10.0 109.267 178.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -69.26 -40.92 77.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.564 -0.743 . . . . 10.0 110.23 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 330' ' ' ARG . . . . . 0.707 HH21 ' HB3' ' D' ' 447' ' ' GLU . 27.6 mtt-85 -62.03 -47.74 83.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.404 179.225 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 40.6 mt -60.67 -41.89 95.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.934 -0.575 . . . . 10.0 110.099 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -63.22 -50.48 70.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.152 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -57.95 -46.75 84.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.888 179.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 73.8 mtt-85 -62.91 -47.61 82.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.422 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 50.0 mt -61.0 -41.21 96.09 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-N 116.182 -0.463 . . . . 10.0 111.333 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -65.76 -42.85 90.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.761 0.315 . . . . 10.0 110.489 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -63.32 -45.62 90.46 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.527 -0.545 . . . . 10.0 109.527 179.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 96.6 mt -71.22 -10.29 59.51 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.532 -0.758 . . . . 10.0 111.448 179.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -92.32 -47.02 7.41 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.511 -0.551 . . . . 10.0 109.511 178.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -69.63 -46.21 66.73 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.963 -0.562 . . . . 10.0 109.925 179.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -74.95 -33.68 61.97 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.778 -0.823 . . . . 10.0 108.778 178.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -64.91 -39.02 96.22 Favored Glycine 0 N--CA 1.45 -0.426 0 CA-C-N 115.461 -0.79 . . . . 10.0 111.781 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -63.14 -40.71 99.48 Favored Glycine 0 N--CA 1.45 -0.385 0 N-CA-C 110.894 -0.882 . . . . 10.0 110.894 178.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -65.9 -42.79 89.76 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.264 -0.643 . . . . 10.0 109.264 178.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 345' ' ' ARG . . . . . 0.41 ' HG2' ' OD1' ' D' ' 429' ' ' ASN . 44.8 mtm180 -62.85 -41.53 99.39 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.228 178.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 24.7 mt -66.35 -46.94 75.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.449 -0.341 . . . . 10.0 110.698 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.49 -42.55 96.53 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.085 0.469 . . . . 10.0 110.184 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -67.1 -45.04 78.43 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.98 -0.555 . . . . 10.0 110.899 179.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -61.85 -37.01 82.9 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-O 120.964 0.411 . . . . 10.0 110.171 179.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.41 -44.01 88.76 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.63 -0.714 . . . . 10.0 109.461 178.424 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -63.71 -44.32 93.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.001 178.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 14.2 mttm -61.83 -39.83 93.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.802 -0.636 . . . . 10.0 109.682 178.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . 0.428 ' O ' ' HG ' ' A' ' 357' ' ' LEU . . . -66.82 -35.0 79.06 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.194 179.042 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 40.4 m -66.35 -43.38 86.22 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.451 -0.574 . . . . 10.0 109.451 178.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -66.87 -32.6 73.98 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 109.211 -0.663 . . . . 10.0 109.211 178.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -67.0 -28.78 68.53 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.594 -0.73 . . . . 10.0 109.527 178.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 357' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 353' ' ' ALA . 48.0 mt -72.97 -34.51 66.52 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.43 178.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.82 -44.77 88.77 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.546 -0.539 . . . . 10.0 109.546 179.052 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.39 -32.24 66.22 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 116.003 -0.544 . . . . 10.0 109.729 179.014 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 41.0 tp -65.31 -35.84 82.24 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 108.899 -0.778 . . . . 10.0 108.899 178.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 361' ' ' SER . . . . . 0.426 ' HB3' ' HE3' ' A' ' 365' ' ' LYS . 71.1 m -64.42 -29.67 70.73 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.655 -0.702 . . . . 10.0 110.035 179.069 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 362' ' ' GLU . . . . . 0.442 ' C ' ' HD2' ' A' ' 366' ' ' PRO . 49.9 mm-40 -71.48 -17.39 62.36 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.153 0.501 . . . . 10.0 109.847 178.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 363' ' ' LYS . . . . . 0.747 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 80.9 mttt -97.7 -37.31 9.94 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.635 -0.711 . . . . 10.0 109.452 178.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -77.02 -31.32 56.25 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.921 0.712 . . . . 10.0 112.921 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 365' ' ' LYS . . . . . 0.986 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 69.5 mttt -100.35 -71.67 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 N-CA-C 112.421 0.526 . . . . 10.0 112.421 -179.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 366' ' ' PRO . . . . . 0.986 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 24.4 Cg_exo -64.76 -56.7 0.37 Allowed 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 121.836 1.691 . . . . 10.0 113.128 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 367' ' ' ALA . . . . . 0.747 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -57.56 -47.67 81.42 Favored 'General case' 0 C--O 1.225 -0.195 0 N-CA-C 112.684 0.624 . . . . 10.0 112.684 -179.131 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 368' ' ' LEU . . . . . 0.463 HD23 ' HA ' ' A' ' 368' ' ' LEU . 10.5 mt -62.09 -43.52 98.67 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.943 -0.303 . . . . 10.0 110.833 179.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -62.23 -44.61 96.18 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.975 -0.75 . . . . 10.0 108.975 178.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -59.78 -43.33 94.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.459 -0.791 . . . . 10.0 109.806 179.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 75.4 mt -63.3 -47.58 81.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.519 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 372' ' ' ARG . . . . . 0.426 ' O ' ' HG ' ' A' ' 376' ' ' LEU . 93.3 mtt180 -60.91 -44.43 97.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.291 179.508 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -63.17 -30.21 71.41 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.84 -0.618 . . . . 10.0 111.3 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -83.65 -34.69 18.54 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.766 -0.73 . . . . 10.0 111.598 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 83.9 mt -74.25 -32.31 62.91 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.376 0.509 . . . . 10.0 112.376 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 376' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 372' ' ' ARG . 68.8 mt -51.27 -59.43 7.77 Favored Pre-proline 0 CA--C 1.535 0.38 0 N-CA-C 112.269 0.47 . . . . 10.0 112.269 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -61.45 -29.84 85.84 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.197 1.932 . . . . 10.0 111.455 178.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 38.1 t -64.69 -43.51 96.59 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.12 0 N-CA-C 108.697 -0.853 . . . . 10.0 108.697 178.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 55.1 mt -63.9 -37.72 88.44 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.422 -0.585 . . . . 10.0 109.422 178.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 380' ' ' GLU . . . . . 0.477 ' O ' HG23 ' A' ' 384' ' ' VAL . 24.8 mm-40 -59.17 -52.49 65.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.692 -0.686 . . . . 10.0 110.32 179.07 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 4.0 p -67.36 -39.93 85.74 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.404 -0.362 . . . . 10.0 110.688 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.34 -44.76 88.84 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.425 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -60.19 -41.18 92.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.407 -0.361 . . . . 10.0 110.758 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 384' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 380' ' ' GLU . 55.0 t -62.02 -47.23 94.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 109.934 -0.395 . . . . 10.0 109.934 179.187 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 12.3 m -62.99 -49.23 75.52 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.706 -0.679 . . . . 10.0 110.828 179.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -61.82 -43.25 99.22 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.114 -0.493 . . . . 10.0 111.8 -179.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 47.0 mt -61.02 -50.66 72.44 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.689 -0.232 . . . . 10.0 111.605 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 9.0 p -65.87 -34.81 79.0 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.472 -0.331 . . . . 10.0 110.936 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -64.03 -43.07 96.71 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.517 -0.31 . . . . 10.0 110.626 178.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 68.5 mt -59.05 -44.05 91.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.962 -0.563 . . . . 10.0 109.675 178.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -66.17 -38.31 87.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.628 -0.714 . . . . 10.0 110.285 179.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 392' ' ' GLU . . . . . 0.66 ' HB3' ' HE1' ' D' ' 591' ' ' TYR . 42.0 mm-40 -59.69 -42.67 93.49 Favored 'General case' 0 CA--C 1.521 -0.172 0 CA-C-N 116.181 -0.463 . . . . 10.0 111.678 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -64.51 -48.88 73.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.964 -0.562 . . . . 10.0 111.079 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -68.24 -24.55 64.92 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.114 0.483 . . . . 10.0 110.987 179.36 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -71.04 -28.96 64.76 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 115.84 -0.618 . . . . 10.0 111.539 -179.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 396' ' ' LYS . . . . . 0.447 ' HG2' ' HB2' ' D' ' 587' ' ' ALA . 2.0 mptt -111.9 -20.02 12.17 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 113.142 0.793 . . . . 10.0 113.142 -179.166 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 95.4 mt -100.53 8.89 43.21 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 120.74 0.305 . . . . 10.0 111.323 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 63.7 t30 . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.315 -0.402 . . . . 10.0 110.432 179.573 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 2.4 mm? . . . . . 0 CA--C 1.52 -0.179 0 CA-C-O 121.323 0.582 . . . . 10.0 110.051 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -99.65 19.56 15.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.406 -0.816 . . . . 10.0 110.14 179.587 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 71.2 mt -63.72 -30.76 71.82 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.619 -0.719 . . . . 10.0 110.803 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 18.1 mt -64.68 -41.93 95.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.339 0.59 . . . . 10.0 110.199 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -74.46 -35.0 63.29 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.018 -0.537 . . . . 10.0 109.934 178.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -64.54 -38.86 92.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.176 179.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 1.1 m95 -70.23 -29.45 66.27 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.522 -0.763 . . . . 10.0 110.642 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -61.28 -44.7 96.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.136 -0.483 . . . . 10.0 110.144 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.46 -39.12 93.61 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.275 179.466 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 44.5 t -69.9 -41.01 79.48 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.096 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 37.0 m -63.88 -36.01 82.54 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.321 0.582 . . . . 10.0 109.876 178.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 67.2 m -66.04 -41.84 90.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.762 -0.653 . . . . 10.0 110.652 178.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 411' ' ' THR . . . . . 0.571 ' O ' ' HG ' ' D' ' 415' ' ' LEU . 0.1 OUTLIER -68.56 -34.77 76.4 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 110.085 -0.339 . . . . 10.0 110.085 179.41 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -63.79 -40.57 96.97 Favored 'General case' 0 N--CA 1.46 0.069 0 N-CA-C 109.088 -0.708 . . . . 10.0 109.088 177.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 19.5 m -67.14 -38.98 86.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.219 -0.901 . . . . 10.0 109.083 178.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 414' ' ' LYS . . . . . 0.453 ' HD3' ' HA ' ' D' ' 414' ' ' LYS . 41.0 mmtt -65.08 -28.29 69.36 Favored 'General case' 0 CA--C 1.522 -0.131 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.361 178.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 415' ' ' LEU . . . . . 0.571 ' HG ' ' O ' ' D' ' 411' ' ' THR . 82.1 mt -67.83 -37.55 82.07 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.115 -0.698 . . . . 10.0 109.115 178.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 416' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' D' ' 416' ' ' ARG . 60.2 mtt180 -69.84 -36.37 75.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.704 -0.68 . . . . 10.0 109.733 179.209 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -61.68 -28.04 69.11 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-N 115.666 -0.697 . . . . 10.0 109.883 178.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -84.51 -51.45 6.89 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.428 -0.806 . . . . 10.0 108.853 177.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 33.8 mt -44.8 -47.81 10.94 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.241 -0.89 . . . . 10.0 112.768 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -51.62 -75.55 0.21 Allowed Glycine 0 CA--C 1.523 0.557 0 C-N-CA 121.186 -0.531 . . . . 10.0 112.934 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 421' ' ' PRO . . . . . 0.581 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 48.3 Cg_exo -57.39 -41.83 68.38 Favored 'Trans proline' 0 C--O 1.234 0.294 0 C-N-CA 122.872 2.381 . . . . 10.0 112.52 179.584 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 422' ' ' VAL . . . . . 0.469 ' O ' ' HB2' ' D' ' 426' ' ' PHE . 37.5 t -58.32 -49.9 80.37 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.198 0 N-CA-C 112.221 0.452 . . . . 10.0 112.221 -179.414 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 46.7 p -66.59 -33.99 76.9 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.773 -0.371 . . . . 10.0 110.739 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -61.28 -52.29 65.33 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.98 -0.378 . . . . 10.0 109.98 179.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 425' ' ' GLU . . . . . 0.581 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 11.4 pt-20 -73.43 -25.53 60.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.772 179.158 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 426' ' ' PHE . . . . . 0.469 ' HB2' ' O ' ' D' ' 422' ' ' VAL . 17.1 t80 -70.21 -38.72 75.34 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 108.981 -0.748 . . . . 10.0 108.981 178.652 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 427' ' ' TRP . . . . . 0.455 ' O ' ' HG3' ' D' ' 431' ' ' GLU . 2.4 m95 -64.78 -44.02 91.35 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 108.7 -0.852 . . . . 10.0 108.7 178.316 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 428' ' ' ASP . . . . . 0.5 ' O ' ' HG3' ' D' ' 432' ' ' LYS . 21.2 t70 -63.38 -37.34 86.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.274 -0.875 . . . . 10.0 109.288 178.481 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 429' ' ' ASN . . . . . 0.41 ' OD1' ' HG2' ' A' ' 345' ' ' ARG . 4.7 t30 -66.35 -44.44 83.23 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.111 -0.7 . . . . 10.0 109.111 177.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 85.0 mt -61.08 -36.42 79.6 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 115.763 -0.653 . . . . 10.0 110.188 179.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 431' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' D' ' 427' ' ' TRP . 25.2 mt-10 -63.16 -39.34 94.37 Favored 'General case' 0 CA--C 1.522 -0.124 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.069 178.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 432' ' ' LYS . . . . . 0.5 ' HG3' ' O ' ' D' ' 428' ' ' ASP . 50.4 mttp -66.64 -43.31 84.99 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 109.201 -0.666 . . . . 10.0 109.201 178.688 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -61.77 -52.01 65.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.689 -0.687 . . . . 10.0 111.176 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 2.6 p -59.68 -47.54 85.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.384 -0.371 . . . . 10.0 111.322 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 435' ' ' GLU . . . . . 0.428 ' O ' ' HG3' ' D' ' 439' ' ' GLN . 9.5 mm-40 -62.85 -41.19 99.26 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 116.491 -0.322 . . . . 10.0 110.253 179.046 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -63.99 -43.25 97.67 Favored Glycine 0 N--CA 1.449 -0.486 0 N-CA-C 110.848 -0.901 . . . . 10.0 110.848 178.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 85.9 mt -64.89 -34.93 79.57 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.426 -0.583 . . . . 10.0 109.426 178.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 438' ' ' ARG . . . . . 0.412 ' HD2' ' OE1' ' D' ' 435' ' ' GLU . 56.5 mtt180 -66.97 -36.15 81.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.748 -0.66 . . . . 10.0 109.632 178.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 439' ' ' GLN . . . . . 0.428 ' HG3' ' O ' ' D' ' 435' ' ' GLU . 95.4 mt-30 -60.03 -41.21 91.75 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 109.101 -0.703 . . . . 10.0 109.101 178.382 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -70.91 -49.45 45.65 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.647 -0.706 . . . . 10.0 109.339 178.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 8.1 mmt -57.27 -37.81 72.95 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 112.794 0.664 . . . . 10.0 112.794 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 442' ' ' SER . . . . . 0.437 ' O ' ' HG2' ' D' ' 446' ' ' GLU . 44.7 m -58.5 -40.38 82.66 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.247 0.546 . . . . 10.0 110.316 179.339 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp -85.93 -42.91 13.65 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.437 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 444' ' ' ASP . . . . . 0.638 ' O ' ' HB ' ' D' ' 448' ' ' VAL . 26.2 t70 -60.05 -56.05 26.44 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.878 -0.601 . . . . 10.0 112.564 -179.136 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 445' ' ' LEU . . . . . 0.531 ' O ' HG12 ' D' ' 448' ' ' VAL . 96.1 mt -65.2 -44.8 87.21 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 113.061 0.764 . . . . 10.0 113.061 -178.305 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 446' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' D' ' 442' ' ' SER . 5.3 mm-40 -67.63 -45.7 74.61 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.784 -0.366 . . . . 10.0 111.258 -179.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 447' ' ' GLU . . . . . 0.707 ' HB3' HH21 ' A' ' 330' ' ' ARG . 33.3 tt0 -70.4 -29.31 65.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.557 -0.292 . . . . 10.0 110.706 179.565 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 448' ' ' VAL . . . . . 0.638 ' HB ' ' O ' ' D' ' 444' ' ' ASP . 0.3 OUTLIER -66.63 -27.41 40.03 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.355 0 N-CA-C 109.844 -0.428 . . . . 10.0 109.844 178.811 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -71.68 -29.37 64.52 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 108.789 -0.819 . . . . 10.0 108.789 178.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -96.72 15.71 21.12 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.211 -0.904 . . . . 10.0 109.655 179.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 451' ' ' LYS . . . . . 0.424 ' HB2' ' HA ' ' D' ' 448' ' ' VAL . 45.0 mttm -125.71 -49.09 1.64 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.354 -0.839 . . . . 10.0 109.776 178.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 452' ' ' VAL . . . . . 0.451 HG23 HG22 ' D' ' 448' ' ' VAL . 39.2 t -62.01 -43.75 98.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.586 179.39 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -60.74 -57.44 26.49 Favored Pre-proline 0 CA--C 1.533 0.309 0 N-CA-C 112.743 0.646 . . . . 10.0 112.743 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_endo -61.15 -35.86 83.9 Favored 'Trans proline' 0 C--N 1.352 0.753 0 C-N-CA 121.675 1.584 . . . . 10.0 111.456 178.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 455' ' ' TYR . . . . . 0.412 ' CD1' ' HE2' ' A' ' 323' ' ' TYR . 4.9 t80 -68.54 -34.25 75.52 Favored 'General case' 0 C--O 1.232 0.158 0 N-CA-C 109.64 -0.504 . . . . 10.0 109.64 178.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 456' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' D' ' 456' ' ' LEU . 13.6 mt -69.65 -36.8 76.39 Favored 'General case' 0 C--O 1.219 -0.552 0 N-CA-C 108.851 -0.796 . . . . 10.0 108.851 178.155 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -65.04 -43.36 92.59 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 108.861 -0.792 . . . . 10.0 108.861 178.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 458' ' ' ASP . . . . . 0.489 ' HB2' ' CE1' ' A' ' 319' ' ' HIS . 16.3 t70 -60.97 -42.52 98.49 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 115.221 -0.9 . . . . 10.0 109.164 178.328 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -68.98 -41.41 77.91 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.046 -0.979 . . . . 10.0 110.598 178.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -58.96 -43.98 91.4 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 109.923 -0.399 . . . . 10.0 109.923 179.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 461' ' ' LYS . . . . . 0.508 ' O ' ' HG3' ' D' ' 465' ' ' GLU . 74.4 mttt -61.8 -43.65 98.43 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.427 -0.583 . . . . 10.0 109.427 178.629 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 462' ' ' LYS . . . . . 0.687 ' HB3' H283 ' D' ' 602' ' ' PCW . 2.8 mtmm -66.77 -39.56 87.88 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.169 179.075 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 21.0 m0 -63.83 -39.26 93.81 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.569 -0.53 . . . . 10.0 109.569 178.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -65.34 -46.27 80.9 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 109.273 -0.64 . . . . 10.0 109.273 178.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 465' ' ' GLU . . . . . 0.56 ' HB2' ' HE1' ' A' ' 312' ' ' HIS . 42.5 mt-10 -57.43 -48.35 79.37 Favored 'General case' 0 C--O 1.223 -0.334 0 N-CA-C 108.805 -0.813 . . . . 10.0 108.805 178.404 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 466' ' ' GLU . . . . . 0.402 ' HG3' ' CZ ' ' D' ' 470' ' ' TYR . 6.7 tp10 -60.36 -52.35 65.61 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.736 -0.665 . . . . 10.0 111.07 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 72.6 mtm -60.2 -38.65 83.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 10.0 111.695 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 468' ' ' GLU . . . . . 0.433 ' HA ' ' HD2' ' D' ' 471' ' ' ARG . 40.1 mt-10 -74.89 -36.82 62.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.451 -0.34 . . . . 10.0 110.61 179.427 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 469' ' ' LEU . . . . . 0.567 HD22 ' HE2' ' D' ' 473' ' ' LYS . 34.4 mt -61.3 -42.26 98.36 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.104 -0.702 . . . . 10.0 109.104 178.531 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 470' ' ' TYR . . . . . 0.402 ' CZ ' ' HG3' ' D' ' 466' ' ' GLU . 22.9 m-30 -64.73 -23.85 67.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.955 -0.566 . . . . 10.0 111.049 179.532 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 471' ' ' ARG . . . . . 0.967 ' HA ' ' HG3' ' D' ' 475' ' ' GLU . 48.8 mtt85 -77.28 -25.15 51.08 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.291 0.567 . . . . 10.0 109.6 178.579 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -106.7 7.26 30.39 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.885 -0.598 . . . . 10.0 110.822 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 473' ' ' LYS . . . . . 0.572 ' HE3' ' SD ' ' A' ' 305' ' ' MET . 65.0 mttm -127.72 -72.48 0.63 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.057 -0.519 . . . . 10.0 110.311 179.673 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 11.3 t -62.88 -44.87 99.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.833 -0.621 . . . . 10.0 112.441 -178.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 475' ' ' GLU . . . . . 0.967 ' HG3' ' HA ' ' D' ' 471' ' ' ARG . 3.6 mt-10 -56.91 -55.2 46.27 Favored Pre-proline 0 N--CA 1.47 0.528 0 N-CA-C 112.551 0.574 . . . . 10.0 112.551 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -66.34 -36.44 27.59 Favored 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 121.481 1.454 . . . . 10.0 111.225 177.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 477' ' ' LEU . . . . . 0.437 ' HB2' ' O ' ' D' ' 473' ' ' LYS . 8.8 mt -66.11 -23.95 66.59 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 116.292 -0.413 . . . . 10.0 110.654 179.412 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 478' ' ' ARG . . . . . 0.418 ' HB2' ' O ' ' D' ' 475' ' ' GLU . 14.5 mtt-85 -62.41 -32.96 73.87 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.14 -0.689 . . . . 10.0 109.14 178.365 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -72.71 -38.11 67.59 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 108.717 -0.846 . . . . 10.0 108.717 178.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.79 -43.65 88.13 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.128 -0.693 . . . . 10.0 109.128 178.071 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 72.8 mt -64.48 -38.81 92.32 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 115.362 -0.835 . . . . 10.0 109.54 178.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -70.84 -41.34 71.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.574 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -64.72 -43.96 91.75 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.485 -0.561 . . . . 10.0 109.485 178.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -65.31 -33.95 88.1 Favored Glycine 0 N--CA 1.451 -0.343 0 N-CA-C 110.409 -1.077 . . . . 10.0 110.409 178.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -70.6 -42.7 70.62 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.621 -0.511 . . . . 10.0 109.621 178.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -60.54 -41.65 94.91 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 108.553 -0.906 . . . . 10.0 108.553 178.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.47 -47.84 74.73 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.338 -0.846 . . . . 10.0 109.309 178.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -59.97 -43.18 95.24 Favored 'General case' 0 C--O 1.226 -0.16 0 CA-C-N 116.361 -0.381 . . . . 10.0 110.493 179.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 61.3 mt -63.12 -39.17 93.89 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.312 -0.625 . . . . 10.0 109.312 178.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 32.0 t60 -64.22 -46.42 83.95 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 108.787 -0.82 . . . . 10.0 108.787 178.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -61.43 -41.74 97.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.34 -0.845 . . . . 10.0 109.739 178.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 30.8 mt -66.37 -48.18 70.98 Favored 'General case' 0 C--O 1.216 -0.699 0 CA-C-N 115.434 -0.803 . . . . 10.0 111.1 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -59.6 -35.72 74.87 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.915 0.388 . . . . 10.0 110.975 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -72.4 3.76 4.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.733 -0.667 . . . . 10.0 110.988 179.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 495' ' ' LYS . . . . . 0.861 ' HE3' HD22 ' A' ' 279' ' ' LEU . 49.8 mttp -126.87 -45.59 1.59 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.857 -0.611 . . . . 10.0 109.734 178.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 98.9 mt -56.13 -35.14 66.77 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 116.171 -0.468 . . . . 10.0 112.176 -179.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 497' ' ' SER . . . . . 0.417 ' HB2' ' CD ' ' D' ' 498' ' ' PRO . 3.2 m -79.22 -62.84 0.42 Allowed Pre-proline 0 C--N 1.324 -0.519 0 CA-C-O 119.371 -0.347 . . . . 10.0 111.915 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 498' ' ' PRO . . . . . 0.417 ' CD ' ' HB2' ' D' ' 497' ' ' SER . 20.7 Cg_endo -60.43 -49.53 8.86 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 122.245 1.964 . . . . 10.0 112.556 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 499' ' ' LEU . . . . . 0.826 HD21 ' HG2' ' A' ' 275' ' ' LYS . 96.8 mt -71.84 -26.14 62.25 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-O 120.743 0.306 . . . . 10.0 110.213 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -65.04 -51.29 52.26 Favored Glycine 0 N--CA 1.446 -0.684 0 N-CA-C 110.017 -1.233 . . . . 10.0 110.017 178.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -66.13 -34.13 77.35 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 109.464 -0.569 . . . . 10.0 109.464 178.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 502' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -64.6 -49.33 71.55 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.721 -0.672 . . . . 10.0 109.581 178.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 52.9 mmm -62.22 -39.01 91.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.008 -0.542 . . . . 10.0 109.828 179.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 504' ' ' ARG . . . . . 0.504 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 67.8 mtt180 -66.94 -39.65 87.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.685 179.307 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 505' ' ' ASP . . . . . 0.532 ' HA ' ' HD2' ' D' ' 508' ' ' ARG . 28.1 t70 -68.91 -41.01 78.8 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 110.035 -0.357 . . . . 10.0 110.035 178.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 506' ' ' ARG . . . . . 0.573 ' HD3' ' HG2' ' A' ' 268' ' ' GLU . 12.3 mtm180 -64.82 -34.37 78.2 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.03 -0.73 . . . . 10.0 109.03 178.197 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -66.38 -38.97 88.75 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 108.707 -0.849 . . . . 10.0 108.707 177.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 508' ' ' ARG . . . . . 0.532 ' HD2' ' HA ' ' D' ' 505' ' ' ASP . 75.7 mtt180 -60.26 -45.4 93.39 Favored 'General case' 0 C--O 1.224 -0.281 0 N-CA-C 108.536 -0.913 . . . . 10.0 108.536 178.105 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -60.25 -33.64 72.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.46 -0.791 . . . . 10.0 111.066 179.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 510' ' ' HIS . . . . . 0.41 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 4.5 m-70 -77.49 -48.35 17.3 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.051 0.453 . . . . 10.0 110.71 179.439 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 511' ' ' VAL . . . . . 0.462 ' O ' ' HG3' ' D' ' 515' ' ' ARG . 91.0 t -63.73 -45.26 97.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.68 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 512' ' ' ASP . . . . . 0.624 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 21.5 t70 -64.08 -32.97 74.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.002 0.43 . . . . 10.0 110.235 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -68.45 -45.13 73.34 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 108.519 -0.919 . . . . 10.0 108.519 177.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 514' ' ' LEU . . . . . 0.781 ' HA ' ' HB2' ' D' ' 517' ' ' HIS . 86.9 mt -60.55 -27.19 67.47 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.787 -0.642 . . . . 10.0 110.952 179.324 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 515' ' ' ARG . . . . . 0.624 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 84.4 mtt180 -65.3 -28.81 69.58 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.404 0.621 . . . . 10.0 109.546 178.515 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.6 12.97 24.08 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.668 -0.696 . . . . 10.0 109.578 179.095 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 517' ' ' HIS . . . . . 0.781 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 16.3 m170 -119.58 -67.02 1.01 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.697 -0.683 . . . . 10.0 111.042 -179.577 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 67.3 mt -73.85 -45.43 51.16 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.789 -0.642 . . . . 10.0 112.144 -178.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 519' ' ' ALA . . . . . 0.65 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -54.12 -56.07 29.93 Favored Pre-proline 0 CA--C 1.537 0.476 0 N-CA-C 112.6 0.592 . . . . 10.0 112.6 -179.504 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 520' ' ' PRO . . . . . 0.65 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 36.1 Cg_exo -64.84 -37.95 32.44 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.032 1.821 . . . . 10.0 111.581 178.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -64.77 -40.2 94.87 Favored 'General case' 0 C--O 1.225 -0.209 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.982 -179.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 1.8 p -65.74 -31.67 72.8 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.535 -0.466 . . . . 10.0 109.766 179.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.08 -43.3 74.83 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.078 -0.712 . . . . 10.0 109.078 178.483 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -67.64 -36.05 80.04 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 109.084 -0.71 . . . . 10.0 109.084 178.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 525' ' ' LEU . . . . . 0.42 ' HA ' HD23 ' D' ' 525' ' ' LEU . 8.0 mt -61.62 -41.43 97.46 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-N 115.537 -0.756 . . . . 10.0 109.348 178.047 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 526' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' D' ' 526' ' ' ARG . 56.3 mtt180 -61.91 -37.44 84.63 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 115.926 -0.579 . . . . 10.0 109.99 178.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -62.28 -35.57 79.41 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.191 0.52 . . . . 10.0 109.687 178.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 528' ' ' ARG . . . . . 0.606 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 79.9 mtt180 -78.33 -43.27 28.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.642 -0.708 . . . . 10.0 109.265 178.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 75.0 mt -60.81 -38.5 85.6 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.491 -0.777 . . . . 10.0 111.089 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -61.3 -36.23 79.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.976 0.417 . . . . 10.0 110.232 178.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -74.81 -42.68 57.61 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.603 -0.726 . . . . 10.0 109.203 178.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -61.04 -45.57 94.23 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-N 115.709 -0.678 . . . . 10.0 109.174 178.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 84.9 mt -65.3 -36.06 82.93 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 115.812 -0.631 . . . . 10.0 110.213 178.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 534' ' ' GLU . . . . . 0.524 ' HA ' ' HE3' ' D' ' 537' ' ' LYS . 22.7 tt0 -64.85 -40.77 95.69 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 108.926 -0.768 . . . . 10.0 108.926 178.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 535' ' ' ALA . . . . . 0.472 ' O ' ' HB2' ' D' ' 539' ' ' ASN . . . -63.84 -38.36 90.79 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.776 -0.824 . . . . 10.0 108.776 177.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 81.0 mt -71.21 -21.72 62.1 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.501 -0.772 . . . . 10.0 110.869 179.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 537' ' ' LYS . . . . . 0.524 ' HE3' ' HA ' ' D' ' 534' ' ' GLU . 45.0 mtmt -82.01 -45.76 14.88 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.937 -0.764 . . . . 10.0 108.937 178.089 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -64.16 -45.66 87.44 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.591 -0.731 . . . . 10.0 109.096 178.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 539' ' ' ASN . . . . . 0.472 ' HB2' ' O ' ' D' ' 535' ' ' ALA . 1.9 m-20 -71.83 -33.22 68.31 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-N 115.345 -0.843 . . . . 10.0 109.291 178.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -64.19 -51.52 52.11 Favored Glycine 0 N--CA 1.446 -0.679 0 N-CA-C 111.045 -0.822 . . . . 10.0 111.045 179.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -59.29 -41.6 96.92 Favored Glycine 0 N--CA 1.452 -0.292 0 N-CA-C 111.254 -0.738 . . . . 10.0 111.254 179.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -66.24 -52.0 52.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.548 0.213 . . . . 10.0 110.623 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 543' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' D' ' 543' ' ' ARG . 55.8 mtt180 -60.84 -33.17 72.64 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.432 -0.349 . . . . 10.0 111.332 179.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 20.9 mt -66.09 -44.04 85.55 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.197 -0.668 . . . . 10.0 109.197 177.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -63.27 -39.7 95.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.768 -0.651 . . . . 10.0 109.419 178.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 -65.85 -43.1 89.46 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 115.667 -0.697 . . . . 10.0 109.292 178.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -63.01 -36.35 83.25 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.821 -0.627 . . . . 10.0 110.447 179.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 26.3 m-70 -69.35 -43.34 73.84 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.573 -0.528 . . . . 10.0 109.573 178.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -63.6 -46.88 83.77 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.902 -0.59 . . . . 10.0 109.695 178.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 550' ' ' LYS . . . . . 0.452 ' HD3' HG22 ' A' ' 224' ' ' VAL . 0.0 OUTLIER -63.0 -35.74 81.23 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.462 -0.79 . . . . 10.0 109.818 179.063 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -59.68 -46.71 88.25 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 109.622 -0.51 . . . . 10.0 109.622 178.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.5 -45.99 77.74 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 116.253 -0.43 . . . . 10.0 110.399 178.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -58.63 -49.99 75.48 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 116.399 -0.364 . . . . 10.0 110.574 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 23.5 t60 -63.29 -38.33 90.73 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.868 -0.606 . . . . 10.0 109.798 179.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 25.6 tp -63.34 -43.92 96.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 10.0 111.002 179.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.15 -41.68 97.19 Favored 'General case' 0 C--N 1.333 -0.119 0 C-N-CA 121.107 -0.237 . . . . 10.0 110.97 179.316 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -72.44 -30.07 64.26 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 120.767 0.318 . . . . 10.0 110.313 179.263 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 558' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' D' ' 558' ' ' LEU . 19.4 mt -62.36 -48.41 79.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.453 . . . . 10.0 110.06 178.582 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.03 -35.1 74.07 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 109.335 -0.617 . . . . 10.0 109.335 178.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -64.11 -27.51 69.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.32 -0.855 . . . . 10.0 109.922 179.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.49 18.57 20.22 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.334 179.193 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -119.96 -46.44 2.43 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 115.862 -0.608 . . . . 10.0 110.693 179.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 563' ' ' LYS . . . . . 0.417 ' HB2' ' HD3' ' D' ' 564' ' ' PRO . 94.8 mttt -58.69 -62.99 4.62 Favored Pre-proline 0 C--N 1.331 -0.212 0 N-CA-C 111.853 0.316 . . . . 10.0 111.853 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 564' ' ' PRO . . . . . 0.417 ' HD3' ' HB2' ' D' ' 563' ' ' LYS . 44.6 Cg_endo -67.71 -29.46 35.85 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 121.52 1.48 . . . . 10.0 111.316 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -66.77 -56.0 12.47 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.357 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 75.1 mt -60.25 -39.7 87.69 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-O 120.755 0.312 . . . . 10.0 110.219 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -60.69 -55.62 31.08 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.145 -0.479 . . . . 10.0 110.458 178.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -62.18 -42.71 99.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.401 -0.363 . . . . 10.0 110.987 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 76.1 mt -58.7 -45.57 89.22 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.576 -0.283 . . . . 10.0 110.793 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 570' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' D' ' 570' ' ' ARG . 64.0 mtt180 -69.54 -39.25 77.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.422 -0.353 . . . . 10.0 110.29 179.449 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -63.47 -22.78 67.08 Favored 'General case' 0 CA--C 1.521 -0.152 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.023 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -95.94 -30.76 7.72 Favored Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 110.849 -0.9 . . . . 10.0 110.849 178.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 573' ' ' LEU . . . . . 0.466 ' O ' ' HG ' ' D' ' 577' ' ' LEU . 14.2 mt -67.68 -47.28 69.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.59 -0.305 . . . . 10.0 111.277 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 574' ' ' LEU . . . . . 0.457 ' O ' ' HG2' ' D' ' 578' ' ' GLU . 91.1 mt -50.31 -59.44 7.14 Favored Pre-proline 0 CA--C 1.537 0.463 0 N-CA-C 112.987 0.736 . . . . 10.0 112.987 -179.375 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -66.4 -37.01 24.88 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 121.794 1.663 . . . . 10.0 112.175 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 576' ' ' VAL . . . . . 0.432 HG12 ' HA ' ' D' ' 573' ' ' LEU . 0.4 OUTLIER -65.61 -36.43 77.59 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 CA-C-O 120.76 0.314 . . . . 10.0 110.743 -179.843 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 577' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' D' ' 573' ' ' LEU . 61.2 mt -65.16 -42.34 93.85 Favored 'General case' 0 CA--C 1.517 -0.295 0 N-CA-C 109.102 -0.703 . . . . 10.0 109.102 178.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 578' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' D' ' 574' ' ' LEU . 36.7 mm-40 -66.25 -38.44 87.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.736 -0.666 . . . . 10.0 109.731 179.14 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 20.1 m -66.09 -44.65 83.78 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.341 -0.615 . . . . 10.0 109.341 178.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -62.79 -32.72 73.94 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 115.898 -0.592 . . . . 10.0 109.682 178.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 581' ' ' LYS . . . . . 0.407 ' O ' ' HG ' ' D' ' 585' ' ' LEU . 82.1 mttt -61.13 -48.19 82.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.005 178.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 582' ' ' VAL . . . . . 0.405 HG23 ' O ' ' D' ' 578' ' ' GLU . 40.8 t -59.44 -45.35 93.7 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.354 179.587 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 4.7 m -65.88 -40.19 91.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.507 179.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.61 -48.75 71.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.043 179.491 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 585' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' D' ' 581' ' ' LYS . 97.4 mt -56.59 -52.24 65.57 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.624 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 12.2 p -64.16 -33.36 75.6 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 116.377 -0.374 . . . . 10.0 111.065 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 587' ' ' ALA . . . . . 0.447 ' HB2' ' HG2' ' A' ' 396' ' ' LYS . . . -66.52 -58.79 4.49 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.158 -0.312 . . . . 10.0 110.158 179.074 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 588' ' ' LEU . . . . . 0.617 HD22 ' H50' ' D' ' 630' ' ' 17F . 63.3 mt -58.79 -42.81 89.93 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.016 -0.538 . . . . 10.0 111.667 -178.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -63.06 -46.92 85.22 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.438 -0.347 . . . . 10.0 110.865 -179.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -69.25 -33.45 73.28 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.855 -0.338 . . . . 10.0 111.708 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 591' ' ' TYR . . . . . 0.66 ' HE1' ' HB3' ' A' ' 392' ' ' GLU . 16.0 m-30 -64.8 -38.12 89.91 Favored 'General case' 0 N--CA 1.462 0.173 0 N-CA-C 109.559 -0.534 . . . . 10.0 109.559 178.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 35.7 m -59.84 -36.05 76.02 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.369 179.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -66.09 -31.32 72.12 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.957 0.408 . . . . 10.0 110.969 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -82.39 -38.71 23.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.967 -0.56 . . . . 10.0 110.51 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 90.8 mt -74.26 -20.02 60.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.811 -0.631 . . . . 10.0 111.629 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 . . . . . 0 C--N 1.325 -0.499 0 CA-C-N 116.12 -0.491 . . . . 10.0 111.173 179.873 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.451 -0.383 0 CA-C-O 120.902 0.382 . . . . 10.0 110.735 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 6.9 m -98.8 141.11 32.01 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.077 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -95.33 140.92 29.52 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.48 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -129.05 114.33 16.26 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.057 -0.52 . . . . 10.0 109.861 179.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.457 ' HA ' ' HB3' ' B' ' 54' ' ' ASP . 40.7 mttm -81.96 112.72 19.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.047 -179.639 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.432 ' HA ' ' O ' ' B' ' 77' ' ' GLY . 24.6 mt -119.65 111.75 18.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.69 -179.099 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 22.3 t -95.79 130.86 43.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.849 -0.614 . . . . 10.0 110.495 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.526 HG13 HD23 ' B' ' 79' ' ' LEU . 9.9 t -93.04 111.09 24.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.014 -0.539 . . . . 10.0 109.629 179.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 19.7 m -111.69 158.32 12.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.191 -0.459 . . . . 10.0 111.503 -179.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . 0.482 ' O ' ' HA3' ' B' ' 60' ' ' GLY . . . 142.85 166.66 11.16 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 121.027 -0.606 . . . . 10.0 111.681 -179.702 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.29 170.31 3.05 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.997 0.427 . . . . 10.0 110.929 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.604 ' HA ' ' O1B' ' B' ' 201' ' ' GSP . 0.3 OUTLIER -86.55 140.88 29.47 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.101 0.476 . . . . 10.0 111.493 -179.499 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . 1.098 ' HA2' H5'1 ' B' ' 201' ' ' GSP . . . 89.59 8.5 67.75 Favored Glycine 0 N--CA 1.452 -0.27 0 CA-C-N 115.773 -0.648 . . . . 10.0 113.675 179.527 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 32.7 m -87.62 -18.29 8.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 112.655 0.613 . . . . 10.0 112.655 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 110.1 22.29 6.61 Favored Glycine 0 CA--C 1.518 0.271 0 C-N-CA 120.457 -0.877 . . . . 10.0 113.527 179.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.4 ' HD2' HG12 ' B' ' 8' ' ' VAL . 15.2 mtmm -62.16 -42.27 99.11 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.116 0.484 . . . . 10.0 110.764 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . 0.502 ' OG ' ' O3G' ' B' ' 201' ' ' GSP . 20.8 m -79.45 -34.43 41.54 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.997 -179.261 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.71 -49.79 74.11 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.686 -0.487 . . . . 10.0 109.686 178.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 13.9 mt -60.02 -44.59 94.5 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.092 -0.504 . . . . 10.0 111.262 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 18.5 m -62.96 -45.46 92.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 10.0 111.574 -179.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . 0.557 HD12 HG21 ' B' ' 29' ' ' VAL . 88.5 mt -68.13 -34.38 66.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.504 -0.317 . . . . 10.0 111.11 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . 0.622 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 12.6 mm-40 -69.83 -19.27 63.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.883 0.373 . . . . 10.0 110.299 178.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 20.5 tp -90.21 -36.89 14.5 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.04 -0.527 . . . . 10.0 111.515 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 34.6 mm -87.35 -60.04 2.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.97 0.414 . . . . 10.0 111.851 -179.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -89.53 -20.31 23.96 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.377 -0.374 . . . . 10.0 111.527 -179.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . 0.622 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 32.1 m-80 69.06 38.39 1.98 Allowed 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 113.155 0.798 . . . . 10.0 113.155 178.594 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -142.81 153.19 42.99 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.747 -0.381 . . . . 10.0 111.593 179.015 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -87.0 137.66 32.16 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.882 0.372 . . . . 10.0 111.274 -179.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.557 HG21 HD12 ' B' ' 21' ' ' ILE . 0.6 OUTLIER -110.58 103.69 15.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.822 -0.626 . . . . 10.0 110.929 179.258 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -69.75 -25.43 63.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.81 -0.632 . . . . 10.0 109.698 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.472 ' H ' ' HG2' ' B' ' 31' ' ' GLU . 1.3 mm-40 -78.35 129.23 34.74 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.032 -0.986 . . . . 10.0 110.7 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . 0.877 ' CD1' H5'2 ' B' ' 201' ' ' GSP . 82.6 t80 -85.22 127.79 34.43 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.493 -0.321 . . . . 10.0 110.169 179.523 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -122.41 108.9 33.33 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.274 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -68.83 82.81 0.56 Allowed 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 123.212 2.608 . . . . 10.0 111.372 179.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.464 ' OG1' ' O3G' ' B' ' 201' ' ' GSP . 0.1 OUTLIER -88.72 119.0 28.8 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.6 -0.727 . . . . 10.0 110.776 -179.842 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.568 ' HA ' ' HB2' ' B' ' 59' ' ' ALA . 25.5 mm -73.09 -45.01 55.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.339 -179.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . 0.458 ' HG2' HD11 ' B' ' 56' ' ' LEU . 2.5 tt0 -163.84 102.9 0.9 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.367 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -126.88 132.48 50.92 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.494 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.7 p -106.95 148.61 28.44 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.677 0.621 . . . . 10.0 112.677 -178.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -133.26 139.6 47.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.704 -0.68 . . . . 10.0 109.877 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -120.92 132.5 54.99 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.609 0.243 . . . . 10.0 110.875 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 73.0 tttt -154.21 137.97 16.16 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.244 -0.435 . . . . 10.0 110.347 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -112.47 118.9 36.43 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.31 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 19.4 m -128.18 176.85 6.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.292 -0.413 . . . . 10.0 111.446 -179.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 84.7 t -105.05 114.11 43.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.255 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 48.0 mt -123.79 125.14 70.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.551 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . 0.452 ' HA ' ' HB2' ' C' ' 128' ' ' LYS . 13.5 m-20 64.37 17.15 10.61 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.514 -0.766 . . . . 10.0 111.687 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.93 -0.63 62.68 Favored Glycine 0 C--N 1.334 0.439 0 C-N-CA 121.028 -0.606 . . . . 10.0 112.292 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -117.37 136.16 53.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 122.739 -0.271 . . . . 10.0 110.727 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.08 125.29 26.9 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.339 -0.986 . . . . 10.0 108.339 178.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 7.6 m -123.84 134.49 53.58 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.929 0.395 . . . . 10.0 111.793 -178.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 39.4 tp -93.21 109.81 21.32 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.508 -0.923 . . . . 10.0 108.508 178.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . 0.622 HD13 ' HE1' ' B' ' 156' ' ' PHE . 35.3 mt -91.72 123.46 35.13 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 112.666 0.617 . . . . 10.0 112.666 -178.093 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . 0.457 ' HB3' ' HA ' ' B' ' 5' ' ' LYS . 20.8 t0 -107.02 86.2 2.27 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.284 -1.006 . . . . 10.0 108.284 178.412 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 9.3 mt -84.9 143.37 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.665 -0.698 . . . . 10.0 111.727 -177.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.458 HD11 ' HG2' ' B' ' 37' ' ' GLU . 46.2 tp -136.5 111.65 9.02 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.354 -0.385 . . . . 10.0 111.333 179.479 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . 0.47 ' OD2' ' O3G' ' B' ' 201' ' ' GSP . 9.8 t70 -92.55 114.25 26.75 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.83 -0.804 . . . . 10.0 108.83 179.347 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 3.4 p -114.8 151.62 33.51 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.84 0.352 . . . . 10.0 111.923 -178.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' ALA . . . . . 0.568 ' HB2' ' HA ' ' B' ' 36' ' ' ILE . . . -70.95 132.34 45.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.143 0.497 . . . . 10.0 111.382 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' GLY . . . . . 0.482 ' HA3' ' O ' ' B' ' 10' ' ' GLY . . . -105.56 36.28 4.5 Favored Glycine 0 N--CA 1.447 -0.58 0 N-CA-C 110.932 -0.867 . . . . 10.0 110.932 179.557 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -89.44 8.22 31.97 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.696 0.284 . . . . 10.0 110.94 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 69.19 -169.12 0.18 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.765 -0.652 . . . . 10.0 112.412 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 78.43 -23.89 0.23 Allowed 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 123.435 0.694 . . . . 10.0 111.722 -179.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' TYR . . . . . 0.592 ' HB3' ' HB3' ' B' ' 67' ' ' MET . 11.3 m-85 -84.04 47.13 1.27 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.533 -0.303 . . . . 10.0 111.007 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -57.88 -45.71 85.95 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.45 -0.341 . . . . 10.0 111.804 -179.333 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.59 -34.95 19.72 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.247 0.546 . . . . 10.0 111.416 -179.301 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . 0.592 ' HB3' ' HB3' ' B' ' 64' ' ' TYR . 19.7 ttt -64.26 -37.43 87.46 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.793 -0.64 . . . . 10.0 111.437 -179.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . 0.684 ' HA ' ' CZ ' ' B' ' 71' ' ' TYR . 12.0 ttp180 -59.09 -40.23 84.61 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.025 -0.534 . . . . 10.0 112.398 -179.273 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -55.76 -40.69 72.93 Favored 'General case' 0 C--O 1.225 -0.218 0 N-CA-C 112.544 0.572 . . . . 10.0 112.544 -178.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -58.66 -57.08 14.57 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.501 0.926 . . . . 10.0 113.501 -177.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' TYR . . . . . 0.684 ' CZ ' ' HA ' ' B' ' 68' ' ' ARG . 25.3 p90 -72.32 -24.11 61.26 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.296 -0.561 . . . . 10.0 112.25 -179.157 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . 0.49 ' SD ' ' HG2' ' B' ' 99' ' ' GLN . 29.5 mtt -70.97 -36.21 72.45 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.234 0.54 . . . . 10.0 110.146 178.405 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 45.2 ttm105 -70.61 -39.8 73.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.813 -0.63 . . . . 10.0 110.349 179.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 4.4 m -73.99 -27.48 60.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.77 -0.65 . . . . 10.0 111.708 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -75.94 158.98 50.34 Favored Glycine 0 CA--C 1.52 0.361 0 C-N-CA 120.888 -0.672 . . . . 10.0 113.597 -179.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -114.71 -54.48 2.57 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.296 -0.631 . . . . 10.0 109.296 179.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . 0.432 ' O ' ' HA ' ' B' ' 6' ' ' LEU . . . -106.73 139.75 14.99 Favored Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 110.174 -1.17 . . . . 10.0 110.174 178.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . 0.592 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 96.9 m-85 -116.57 130.1 56.55 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.246 0.546 . . . . 10.0 112.389 -178.521 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.526 HD23 HG13 ' B' ' 8' ' ' VAL . 13.2 tp -98.86 91.23 4.97 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.424 -0.807 . . . . 10.0 109.572 179.689 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 35.1 m -84.01 95.76 8.66 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.097 0.475 . . . . 10.0 110.412 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 25.4 t -98.77 131.87 45.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.465 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' PHE . . . . . 0.541 ' HB3' HD11 ' B' ' 93' ' ' ILE . 33.7 p90 -133.1 160.37 37.38 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.146 -0.479 . . . . 10.0 109.815 178.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.445 ' HB3' ' HB3' ' B' ' 86' ' ' ASN . . . -101.86 126.57 48.77 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.67 -0.493 . . . . 10.0 109.67 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 33.2 pt -65.38 -11.04 11.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 112.333 0.494 . . . . 10.0 112.333 -179.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -103.82 -5.08 22.75 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.765 0.317 . . . . 10.0 111.01 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.445 ' HB3' ' HB3' ' B' ' 83' ' ' ALA . 24.4 t-20 -120.2 105.71 11.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.602 -179.142 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 27.5 m -61.13 -38.5 86.6 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.47 0.545 . . . . 10.0 112.47 -179.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -56.68 -44.54 81.52 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.062 0.393 . . . . 10.0 112.062 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 93.3 p -64.51 -29.88 70.91 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.694 0.283 . . . . 10.0 111.426 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -76.04 -34.4 59.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.05 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -71.91 -40.76 68.58 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.978 -0.555 . . . . 10.0 110.624 179.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.14 -21.55 59.52 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.48 -0.782 . . . . 10.0 112.617 -179.129 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 93' ' ' ILE . . . . . 0.541 HD11 ' HB3' ' B' ' 82' ' ' PHE . 49.5 mm -54.79 -50.71 58.74 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-O 120.777 0.322 . . . . 10.0 111.284 -179.684 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -63.85 -35.4 80.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 10.0 110.794 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 38.2 m-70 -63.36 -41.5 98.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.484 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 96' ' ' TYR . . . . . 0.411 ' HE2' ' HA2' ' B' ' 10' ' ' GLY . 22.8 m-85 -68.67 -45.48 71.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.132 -0.486 . . . . 10.0 110.897 179.528 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 97' ' ' ARG . . . . . 0.459 ' HD3' ' HE2' ' B' ' 101' ' ' LYS . 2.1 tmt_? -54.14 -44.1 71.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.008 -0.542 . . . . 10.0 111.408 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -67.45 -36.75 81.8 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.358 -0.383 . . . . 10.0 111.951 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 99' ' ' GLN . . . . . 0.534 ' O ' HG23 ' B' ' 103' ' ' VAL . 27.2 tt0 -69.84 -48.64 58.14 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 110.267 -0.272 . . . . 10.0 110.267 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 83.9 mt -54.03 -49.54 60.01 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 O-C-N 123.547 0.529 . . . . 10.0 111.18 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . 0.475 ' HB2' ' HE3' ' B' ' 101' ' ' LYS . 26.5 mtmt -64.59 -23.72 67.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.665 -0.698 . . . . 10.0 111.945 -179.481 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 9.2 tmm_? -81.6 -41.58 21.32 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.306 -0.406 . . . . 10.0 111.374 -179.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . 0.534 HG23 ' O ' ' B' ' 99' ' ' GLN . 25.8 t -63.34 -53.4 46.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.27 -0.423 . . . . 10.0 111.93 -179.205 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -83.46 -8.66 59.33 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.497 -0.319 . . . . 10.0 111.843 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 38.7 t70 54.02 70.44 0.6 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.915 -0.584 . . . . 10.0 111.657 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 17.6 t -166.08 153.15 9.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.639 -0.71 . . . . 10.0 109.558 179.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 22.3 tp10 -100.52 -5.53 26.78 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.262 0.553 . . . . 10.0 109.646 179.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -112.73 95.04 5.2 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.803 -0.635 . . . . 10.0 111.23 -179.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 0.405 ' HA ' ' HD3' ' B' ' 110' ' ' PRO . 23.3 t -128.29 126.84 23.7 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 109.398 -0.593 . . . . 10.0 109.398 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 110' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 26.9 Cg_exo -64.39 109.24 1.15 Allowed 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 123.117 2.545 . . . . 10.0 111.722 179.386 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 111' ' ' MET . . . . . 0.592 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 52.3 mtm -141.7 159.96 41.15 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.066 -0.515 . . . . 10.0 111.111 -179.376 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 98.8 t -138.86 147.84 24.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 108.662 -0.866 . . . . 10.0 108.662 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 17.0 tp -94.9 113.93 25.71 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.533 -0.543 . . . . 10.0 109.533 179.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 37.6 t -105.83 110.09 30.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.326 0.584 . . . . 10.0 112.569 -178.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -101.27 103.98 2.65 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 109.984 -1.247 . . . . 10.0 109.984 178.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -96.78 170.26 9.3 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.927 0.363 . . . . 10.0 111.624 -178.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . 0.799 ' HB3' HD12 ' B' ' 120' ' ' LEU . 96.0 mttt 67.88 27.99 7.12 Favored 'General case' 0 N--CA 1.463 0.188 0 O-C-N 123.645 0.59 . . . . 10.0 111.554 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 86.0 m -71.79 -9.89 58.96 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 112.611 0.597 . . . . 10.0 112.611 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -90.35 -3.2 57.89 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.79 0.329 . . . . 10.0 110.563 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . 0.799 HD12 ' HB3' ' B' ' 117' ' ' LYS . 64.8 mt -89.18 142.2 29.81 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 10.0 111.079 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -72.52 163.89 37.22 Favored 'Trans proline' 0 C--O 1.237 0.446 0 C-N-CA 122.544 2.163 . . . . 10.0 112.17 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 51.7 m 55.77 78.66 0.19 Allowed 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 115.598 -0.728 . . . . 10.0 111.667 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -92.6 134.29 35.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.519 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -85.76 -41.22 15.28 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.212 179.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 62.0 t -92.25 126.06 44.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.148 0.499 . . . . 10.0 109.97 178.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . 0.556 ' OD1' ' HD3' ' B' ' 128' ' ' LYS . 6.8 t0 -89.57 145.56 25.19 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.539 -0.755 . . . . 10.0 110.498 -179.7 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . 0.651 HG23 ' HE2' ' B' ' 141' ' ' PHE . 5.3 m -59.05 -34.22 71.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.054 0.454 . . . . 10.0 110.962 179.702 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 128' ' ' LYS . . . . . 0.977 ' HB3' ' HA ' ' C' ' 47' ' ' ASP . 7.2 mtpt -61.78 -57.7 10.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.474 -0.785 . . . . 10.0 110.982 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . 0.492 ' HG2' ' HB3' ' B' ' 126' ' ' ASP . 4.4 pt20 -62.02 -34.88 77.02 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.934 -0.306 . . . . 10.0 111.71 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.2 -46.97 72.28 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.097 0.475 . . . . 10.0 110.709 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . 0.404 ' HG2' ' HD2' ' B' ' 141' ' ' PHE . 0.0 OUTLIER -68.34 -36.11 78.76 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.088 -0.506 . . . . 10.0 111.155 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -67.51 -33.82 75.86 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.072 0.463 . . . . 10.0 109.853 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 26.9 tp -72.04 -42.66 66.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.813 -0.631 . . . . 10.0 109.362 178.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.87 -31.34 72.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.956 -0.565 . . . . 10.0 109.868 178.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -63.55 -36.21 83.04 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.69 -0.687 . . . . 10.0 110.101 178.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.2 -39.95 86.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.585 -0.734 . . . . 10.0 110.605 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 137' ' ' TYR . . . . . 0.452 ' HB2' HG12 ' B' ' 139' ' ' ILE . 22.5 m-85 -76.37 -32.76 58.78 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.392 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 91.99 31.66 9.05 Favored Glycine 0 N--CA 1.447 -0.578 0 N-CA-C 110.712 -0.955 . . . . 10.0 110.712 -179.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 139' ' ' ILE . . . . . 0.452 HG12 ' HB2' ' B' ' 137' ' ' TYR . 46.5 pt -120.82 159.08 50.28 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.14 -0.53 . . . . 10.0 110.494 -178.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -82.46 158.31 16.92 Favored 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 122.95 2.433 . . . . 10.0 111.852 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 141' ' ' PHE . . . . . 0.651 ' HE2' HG23 ' B' ' 127' ' ' THR . 60.3 t80 -137.15 129.59 29.86 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.196 -0.456 . . . . 10.0 110.716 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 142' ' ' ILE . . . . . 0.529 HD13 ' HA ' ' B' ' 155' ' ' ALA . 3.3 mp -131.96 129.98 60.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.369 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -73.78 114.07 11.64 Favored 'General case' 0 C--N 1.333 -0.131 0 N-CA-C 108.485 -0.931 . . . . 10.0 108.485 178.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 6.3 p -111.13 155.4 22.91 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 114.053 1.131 . . . . 10.0 114.053 -177.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 145' ' ' SER . . . . . 0.484 ' HB3' ' HB3' ' B' ' 150' ' ' GLN . 16.2 t -149.04 98.56 2.85 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 106.993 -1.484 . . . . 10.0 106.993 177.739 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -59.54 -35.18 73.72 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.015 0.436 . . . . 10.0 111.589 -179.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -58.28 -43.29 87.94 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.668 -0.696 . . . . 10.0 111.391 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.83 5.44 43.45 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.358 -0.383 . . . . 10.0 112.032 -178.537 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 149' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' B' ' 149' ' ' ARG . 5.7 tpt180 57.29 29.57 17.01 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 121.74 0.781 . . . . 10.0 110.316 -179.009 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 150' ' ' GLN . . . . . 0.484 ' HB3' ' HB3' ' B' ' 145' ' ' SER . 50.7 tt0 -89.04 120.69 30.67 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.406 -0.815 . . . . 10.0 111.348 -178.731 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 76.03 -9.56 18.16 Favored Glycine 0 C--N 1.332 0.341 0 CA-C-N 115.545 -0.752 . . . . 10.0 113.549 178.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 97.0 t -55.22 -41.22 59.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 112.123 0.416 . . . . 10.0 112.123 -179.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -71.43 -57.45 4.42 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 112.029 0.381 . . . . 10.0 112.029 -179.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -56.92 -42.07 79.32 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.619 0.6 . . . . 10.0 112.619 -178.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 155' ' ' ALA . . . . . 0.529 ' HA ' HD13 ' B' ' 142' ' ' ILE . . . -57.5 -53.62 56.09 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 120.922 0.391 . . . . 10.0 112.008 -179.5 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 156' ' ' PHE . . . . . 0.622 ' HE1' HD13 ' B' ' 53' ' ' LEU . 0.8 OUTLIER -66.08 -38.87 89.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.431 -0.35 . . . . 10.0 111.059 -179.479 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -61.3 -48.8 79.73 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.975 -0.557 . . . . 10.0 111.479 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 25.4 m -61.28 -35.35 77.09 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.055 0.391 . . . . 10.0 112.055 -179.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 56.8 tp -60.02 -44.56 94.53 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.742 0.306 . . . . 10.0 111.284 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 21.7 t -67.89 -36.11 74.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.019 0.437 . . . . 10.0 110.246 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 161' ' ' ARG . . . . . 0.625 ' HB3' ' HG3' ' C' ' 135' ' ' ARG . 85.2 mtm-85 -64.42 -32.6 74.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.777 -0.647 . . . . 10.0 111.388 179.521 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -61.88 -38.35 87.99 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.959 -0.385 . . . . 10.0 109.959 178.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 73.5 mt -67.89 -45.46 83.97 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.107 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 3.3 mtt85 -64.58 -44.25 91.29 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.709 179.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 8.8 ttmt -60.2 -45.2 93.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.654 -0.703 . . . . 10.0 110.813 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 14.3 t-80 -57.34 -49.08 77.29 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.982 -0.554 . . . . 10.0 111.315 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -67.23 -41.07 86.31 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.183 0.438 . . . . 10.0 112.183 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -64.41 -50.12 68.84 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.068 0.461 . . . . 10.0 111.888 -179.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 169' ' ' LYS . . . . . 0.415 ' HE2' ' HB3' ' B' ' 169' ' ' LYS . 41.3 mtpt -76.07 -16.0 60.0 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.889 0.7 . . . . 10.0 112.889 -178.326 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 6.4 mmm -71.15 -18.53 62.5 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-O 120.922 0.391 . . . . 10.0 111.592 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.98 -11.53 60.81 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.963 0.411 . . . . 10.0 111.273 -179.543 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 22.9 mtpt -120.98 16.67 11.71 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.292 -0.413 . . . . 10.0 110.521 -179.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 173' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -69.06 -51.36 39.62 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.698 0.629 . . . . 10.0 112.698 -178.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . -68.56 -65.77 2.53 Favored Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 120.649 -0.786 . . . . 10.0 111.411 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 175' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.86 133.89 1.59 Allowed 'General case' 0 C--O 1.238 0.458 0 C-N-CA 122.458 0.303 . . . . 10.0 110.277 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 176' ' ' LYS . . . . . 0.422 ' HE2' ' HA ' ' B' ' 176' ' ' LYS . 0.0 OUTLIER -143.3 -60.77 0.42 Allowed 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 121.055 -0.258 . . . . 10.0 111.448 179.488 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 177' ' ' LYS . . . . . . . . . . . . . 23.3 tptp -138.4 -53.32 0.61 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.493 -0.321 . . . . 10.0 110.82 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? 64.67 -159.05 0.29 Allowed 'General case' 0 C--O 1.233 0.198 0 O-C-N 123.805 0.691 . . . . 10.0 110.68 -179.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 179' ' ' LYS . . . . . 0.777 ' HA ' ' HE3' ' B' ' 179' ' ' LYS . 0.0 OUTLIER -117.92 -130.41 0.3 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.81 0.338 . . . . 10.0 111.779 179.868 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 49.1 pttt -136.23 149.58 48.59 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.466 -0.333 . . . . 10.0 110.808 -178.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 181' ' ' SER . . . . . 0.558 ' HB2' ' H51' ' B' ' 206' ' ' PCW . 19.2 m -90.3 -40.21 12.27 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.478 -0.564 . . . . 10.0 109.478 178.404 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 182' ' ' LYS . . . . . 0.572 ' HB2' ' O1P' ' B' ' 206' ' ' PCW . 30.6 mtmm -133.74 162.61 31.52 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.71 -0.677 . . . . 10.0 110.197 179.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -92.15 4.94 52.1 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.191 -0.459 . . . . 10.0 111.191 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 184' ' ' LYS . . . . . 0.486 ' O ' ' H12' ' B' ' 206' ' ' PCW . 6.7 ptpt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.22 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 C--O 1.233 0.209 0 CA-C-O 120.907 0.384 . . . . 10.0 110.517 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 7.3 m -105.82 138.89 41.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.727 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -92.72 127.19 38.13 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.277 -0.638 . . . . 10.0 109.277 179.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -118.38 119.84 35.81 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.643 -0.503 . . . . 10.0 109.643 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -86.86 121.08 28.85 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.742 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . 0.677 HD11 ' HB3' ' C' ' 53' ' ' LEU . 0.1 OUTLIER -123.93 122.96 39.34 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.413 -0.358 . . . . 10.0 111.332 -178.592 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 48.5 t -110.22 129.66 64.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 110.09 -0.337 . . . . 10.0 110.09 179.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 1.3 t -95.89 107.83 20.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.787 0.327 . . . . 10.0 110.539 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 21.4 m -106.03 146.54 12.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.81 0.338 . . . . 10.0 111.333 -179.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 159.58 173.67 28.35 Favored Glycine 0 N--CA 1.442 -0.905 0 N-CA-C 111.378 -0.689 . . . . 10.0 111.378 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.21 -176.05 5.38 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.201 0.524 . . . . 10.0 111.633 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.9 146.46 26.71 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.239 -0.437 . . . . 10.0 110.577 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 13' ' ' GLY . . . . . 0.495 ' HA2' H5'1 ' C' ' 201' ' ' GSP . . . 81.68 5.0 90.21 Favored Glycine 0 CA--C 1.521 0.414 0 C-N-CA 121.108 -0.568 . . . . 10.0 113.613 179.303 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 14' ' ' VAL . . . . . 0.492 ' CG2' ' HG3' ' C' ' 16' ' ' LYS . 27.7 m -77.45 -42.95 30.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 117.261 0.53 . . . . 10.0 112.204 179.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . 0.843 ' HA2' ' H8 ' ' C' ' 201' ' ' GSP . . . 126.47 11.63 3.66 Favored Glycine 0 C--N 1.333 0.381 0 C-N-CA 120.407 -0.902 . . . . 10.0 114.201 178.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . 0.492 ' HG3' ' CG2' ' C' ' 14' ' ' VAL . 7.2 mtmt -54.85 -39.98 69.16 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.34 0.496 . . . . 10.0 112.34 -179.54 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 17' ' ' SER . . . . . 0.475 ' HB2' ' PA ' ' C' ' 201' ' ' GSP . 51.1 m -72.64 -48.03 42.75 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 110.151 -0.314 . . . . 10.0 110.151 -179.672 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.24 -44.16 88.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.953 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 45.5 mt -62.93 -39.18 93.81 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.534 179.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 49.3 m -69.32 -47.95 62.92 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.893 -0.594 . . . . 10.0 110.726 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 78.1 mt -61.08 -37.95 78.52 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 CA-C-O 120.886 0.374 . . . . 10.0 110.398 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 22' ' ' GLN . . . . . 0.527 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 1.0 OUTLIER -65.77 -40.1 91.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.29 -0.414 . . . . 10.0 110.908 179.325 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.44 HD13 HG12 ' C' ' 152' ' ' VAL . 4.3 tp -81.74 -15.14 55.29 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 112.109 0.411 . . . . 10.0 112.109 -179.24 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 24' ' ' ILE . . . . . 0.443 HD11 HD12 ' C' ' 55' ' ' ILE . 25.8 mm -101.4 -58.03 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 112.372 0.508 . . . . 10.0 112.372 -179.355 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -97.39 -9.61 27.05 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.404 0.52 . . . . 10.0 112.404 -177.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 26' ' ' ASN . . . . . 0.527 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 67.9 m-20 69.63 44.13 0.92 Allowed 'General case' 0 C--O 1.234 0.285 0 N-CA-C 113.713 1.005 . . . . 10.0 113.713 178.425 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 9.0 p80 -157.05 148.19 21.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.889 0.376 . . . . 10.0 111.248 178.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -98.34 134.54 41.2 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.79 -0.641 . . . . 10.0 110.032 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 13.4 m -99.72 142.76 14.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.391 -0.368 . . . . 10.0 110.283 179.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -93.07 -24.84 18.17 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.094 0.473 . . . . 10.0 110.907 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -87.85 142.66 27.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.167 -0.47 . . . . 10.0 110.917 179.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 32' ' ' TYR . . . . . 0.561 ' CD1' H5'2 ' C' ' 201' ' ' GSP . 1.6 t80 -98.81 114.77 27.47 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.975 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . 0.409 ' HA ' ' HD3' ' C' ' 34' ' ' PRO . 8.9 t70 -104.0 119.58 53.89 Favored Pre-proline 0 C--N 1.32 -0.708 0 CA-C-N 115.571 -0.74 . . . . 10.0 110.134 178.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 34' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' C' ' 33' ' ' ASP . 31.4 Cg_exo -61.34 99.71 0.17 Allowed 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 123.398 2.732 . . . . 10.0 111.391 179.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.15 126.69 31.07 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.285 -0.87 . . . . 10.0 111.101 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . 0.506 ' HA ' ' HB2' ' C' ' 59' ' ' ALA . 49.8 mm -93.43 -44.47 13.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 108.559 -0.904 . . . . 10.0 108.559 178.334 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 37' ' ' GLU . . . . . 0.671 ' HG3' HG22 ' C' ' 58' ' ' THR . 8.6 tt0 176.67 99.58 0.02 OUTLIER 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.25 -0.886 . . . . 10.0 109.86 178.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -124.03 138.4 54.46 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.299 -0.41 . . . . 10.0 110.555 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 3.0 p -119.12 151.4 38.36 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.147 -0.479 . . . . 10.0 111.884 -179.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -144.2 139.77 28.91 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.626 -0.715 . . . . 10.0 110.417 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . 0.504 ' HA ' ' O ' ' C' ' 53' ' ' LEU . 1.6 mpp_? -111.93 129.69 56.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 10.0 111.085 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -141.4 138.55 33.05 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.989 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -106.44 125.61 51.22 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.824 -0.625 . . . . 10.0 110.105 179.688 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 2.5 m -138.35 162.84 29.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.591 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 42.2 t -96.98 93.79 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.061 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 46' ' ' ILE . . . . . 0.439 HG22 ' OD2' ' C' ' 47' ' ' ASP . 19.5 mt -93.3 107.75 19.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.951 -0.568 . . . . 10.0 111.108 -179.094 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 47' ' ' ASP . . . . . 0.977 ' HA ' ' HB3' ' B' ' 128' ' ' LYS . 1.5 m-20 61.23 23.63 13.83 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.124 -0.944 . . . . 10.0 112.051 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.05 -5.69 68.71 Favored Glycine 0 N--CA 1.451 -0.363 0 N-CA-C 111.068 -0.813 . . . . 10.0 111.068 -179.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -101.66 112.18 24.67 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.669 -0.493 . . . . 10.0 109.669 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.38 119.04 10.25 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.834 -0.432 . . . . 10.0 109.834 179.476 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 26.8 m -123.5 136.08 54.38 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 112.838 0.681 . . . . 10.0 112.838 -178.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 55.9 tp -98.44 108.92 21.73 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 106.97 -1.493 . . . . 10.0 106.97 177.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . 0.677 ' HB3' HD11 ' C' ' 6' ' ' LEU . 38.9 mt -91.07 128.84 37.05 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 113.96 1.096 . . . . 10.0 113.96 -177.213 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 59.2 t0 -109.56 88.97 2.87 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 107.453 -1.314 . . . . 10.0 107.453 177.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 55' ' ' ILE . . . . . 0.554 HG12 HD12 ' C' ' 6' ' ' LEU . 3.7 mt -85.94 141.83 13.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.417 -0.81 . . . . 10.0 111.079 -178.012 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . 0.611 HD11 ' HG2' ' C' ' 37' ' ' GLU . 39.5 tp -140.58 110.32 6.42 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.488 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -95.2 101.33 13.07 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 109.039 -0.726 . . . . 10.0 109.039 177.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 58' ' ' THR . . . . . 0.671 HG22 ' HG3' ' C' ' 37' ' ' GLU . 76.8 p -85.79 167.05 15.56 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.731 -0.668 . . . . 10.0 111.392 -178.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 59' ' ' ALA . . . . . 0.506 ' HB2' ' HA ' ' C' ' 36' ' ' ILE . . . -68.58 141.52 55.43 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.884 -0.598 . . . . 10.0 111.008 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -118.39 40.69 2.22 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.755 -0.736 . . . . 10.0 112.456 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 61' ' ' GLN . . . . . 0.437 ' HB2' ' OH ' ' C' ' 64' ' ' TYR . 28.8 mt-30 -104.59 7.68 35.14 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.811 0.338 . . . . 10.0 110.929 179.703 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 62' ' ' GLU . . . . . 0.495 ' HB3' ' H ' ' C' ' 63' ' ' GLU . 8.2 mm-40 58.19 -157.96 0.3 Allowed 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.778 -0.646 . . . . 10.0 112.343 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 63' ' ' GLU . . . . . 0.495 ' H ' ' HB3' ' C' ' 62' ' ' GLU . 3.6 tt0 77.25 -53.29 0.55 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.81 -0.632 . . . . 10.0 112.008 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 64' ' ' TYR . . . . . 0.437 ' OH ' ' HB2' ' C' ' 61' ' ' GLN . 0.2 OUTLIER -84.82 68.57 10.51 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.09 0.471 . . . . 10.0 112.079 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 9.2 m -67.71 -27.6 66.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.265 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -72.56 -28.45 62.83 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.938 -0.574 . . . . 10.0 111.075 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 23.6 ttt -72.52 -32.01 65.78 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.37 0.605 . . . . 10.0 110.614 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 68' ' ' ARG . . . . . 0.565 ' HA ' ' CE1' ' C' ' 71' ' ' TYR . 21.2 ttp180 -75.7 -32.12 59.96 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.013 -0.54 . . . . 10.0 111.451 -179.461 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -57.57 -29.17 64.21 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.084 -0.507 . . . . 10.0 112.291 -179.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -72.63 -59.95 2.47 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 113.516 0.932 . . . . 10.0 113.516 -178.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 71' ' ' TYR . . . . . 0.565 ' CE1' ' HA ' ' C' ' 68' ' ' ARG . 24.9 p90 -66.73 -14.42 62.53 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 113.636 0.976 . . . . 10.0 113.636 -178.471 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 72' ' ' MET . . . . . . . . . . . . . 26.6 mtt -69.88 -24.8 63.47 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.868 0.365 . . . . 10.0 110.851 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 46.8 mtt180 -80.04 -45.91 17.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.478 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -69.77 -44.11 70.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.532 -0.758 . . . . 10.0 111.757 -179.347 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.27 128.39 36.25 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 121.012 -0.613 . . . . 10.0 113.123 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -79.53 -58.74 3.05 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 109.677 -0.49 . . . . 10.0 109.677 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -112.47 159.77 13.52 Favored Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 111.222 -0.751 . . . . 10.0 111.222 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 78' ' ' PHE . . . . . 0.497 ' HE2' ' HD2' ' C' ' 104' ' ' LYS . 91.8 m-85 -131.68 136.54 47.76 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.819 0.343 . . . . 10.0 110.889 -179.241 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . 0.401 HD12 ' HB ' ' C' ' 112' ' ' VAL . 18.3 tp -104.76 116.35 31.88 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.228 -0.442 . . . . 10.0 109.832 179.336 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 80' ' ' CYS . . . . . 0.616 ' HB3' HD12 ' C' ' 93' ' ' ILE . 13.6 m -83.49 101.01 11.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.489 -0.323 . . . . 10.0 110.134 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 94.9 t -103.73 124.48 58.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.086 -0.506 . . . . 10.0 110.946 -179.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 26.6 p90 -138.47 158.95 43.28 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.717 -0.475 . . . . 10.0 109.717 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 83' ' ' ALA . . . . . 0.448 ' HB2' ' HA ' ' C' ' 14' ' ' VAL . . . -101.23 131.73 47.09 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.722 -0.473 . . . . 10.0 109.722 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 84' ' ' ILE . . . . . 0.54 HD12 ' HB3' ' C' ' 123' ' ' ARG . 38.1 pt -62.84 -19.62 23.65 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 N-CA-C 112.262 0.467 . . . . 10.0 112.262 -178.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 22.3 p-10 -94.79 3.65 54.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.256 0.55 . . . . 10.0 110.547 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 44.1 t-20 -124.95 95.58 4.55 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.879 -0.601 . . . . 10.0 110.237 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -36.78 84.71 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.043 -0.526 . . . . 10.0 111.836 -179.065 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -60.94 -41.39 96.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.217 -0.447 . . . . 10.0 111.177 -179.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 86.9 p -65.22 -24.66 67.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.915 0.388 . . . . 10.0 111.621 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -79.06 -38.38 36.59 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.11 -0.495 . . . . 10.0 110.168 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -71.85 -30.54 65.56 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.298 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -66.24 -21.42 66.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.601 -0.727 . . . . 10.0 111.501 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 93' ' ' ILE . . . . . 0.616 HD12 ' HB3' ' C' ' 80' ' ' CYS . 47.9 mm -56.09 -40.52 64.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.554 -0.294 . . . . 10.0 110.677 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 50.7 t60 -62.76 -50.93 69.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.252 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 47.1 m-70 -58.02 -41.46 83.22 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.696 -0.683 . . . . 10.0 111.104 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 22.1 m-30 -69.83 -42.89 73.04 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.014 -0.539 . . . . 10.0 111.237 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -62.32 -44.55 96.24 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.035 -0.53 . . . . 10.0 111.621 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . 0.445 ' HA ' ' HE2' ' C' ' 101' ' ' LYS . 31.6 mm-40 -61.9 -38.24 87.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.401 -0.363 . . . . 10.0 111.15 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -67.2 -41.81 85.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.744 0.306 . . . . 10.0 110.528 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 96.0 mt -54.87 -49.94 65.92 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 CA-C-N 115.773 -0.649 . . . . 10.0 110.632 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 101' ' ' LYS . . . . . 0.445 ' HE2' ' HA ' ' C' ' 98' ' ' GLU . 39.8 mtmt -63.14 -38.97 93.27 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.753 -0.658 . . . . 10.0 111.182 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 102' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' C' ' 102' ' ' ARG . 46.6 ttm105 -63.81 -51.06 66.46 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.909 -0.587 . . . . 10.0 111.907 -179.147 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 53.0 t -68.33 -42.46 84.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 112.604 0.594 . . . . 10.0 112.604 -178.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 104' ' ' LYS . . . . . 0.497 ' HD2' ' HE2' ' C' ' 78' ' ' PHE . 30.0 mtpp -82.71 -9.58 59.3 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.641 0.608 . . . . 10.0 112.641 -178.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 15.5 t70 56.79 36.38 27.61 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.309 0.576 . . . . 10.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 43.7 t -140.45 135.27 31.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.714 -0.675 . . . . 10.0 110.434 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -86.32 -29.02 23.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.427 0.632 . . . . 10.0 110.061 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -103.32 106.79 17.39 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.618 -0.719 . . . . 10.0 110.781 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 58.5 t -134.58 132.36 20.72 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 115.552 -0.749 . . . . 10.0 109.735 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_exo -58.0 106.73 0.27 Allowed 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.772 2.315 . . . . 10.0 111.603 179.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 111' ' ' MET . . . . . . . . . . . . . 63.3 mtm -138.57 149.73 45.59 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.645 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 112' ' ' VAL . . . . . 0.419 HG22 ' HG2' ' C' ' 140' ' ' PRO . 79.1 t -133.83 135.72 54.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 116.149 -0.478 . . . . 10.0 109.742 179.667 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 113' ' ' LEU . . . . . 0.532 ' O ' ' HA ' ' C' ' 141' ' ' PHE . 28.8 tp -97.48 119.86 36.8 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.239 -0.652 . . . . 10.0 109.239 179.454 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 2.1 m -128.82 130.19 68.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-O 120.989 0.423 . . . . 10.0 111.415 -179.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -97.11 129.61 9.96 Favored Glycine 0 N--CA 1.445 -0.731 0 N-CA-C 110.835 -0.906 . . . . 10.0 110.835 178.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 116' ' ' ASN . . . . . 0.412 ' ND2' ' HA3' ' C' ' 15' ' ' GLY . 63.5 t30 -101.86 164.5 11.69 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 122.623 -0.339 . . . . 10.0 111.16 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 117' ' ' LYS . . . . . 0.523 ' HE2' ' C4 ' ' C' ' 201' ' ' GSP . 95.8 mttt 62.68 33.2 15.78 Favored 'General case' 0 N--CA 1.463 0.212 0 O-C-N 123.593 0.558 . . . . 10.0 111.549 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 118' ' ' CYS . . . . . 0.486 ' HA ' HD13 ' C' ' 84' ' ' ILE . 78.9 m -72.68 -2.12 18.95 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.647 0.61 . . . . 10.0 112.647 -179.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -96.8 -2.9 43.21 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.217 0.532 . . . . 10.0 110.194 179.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 120' ' ' LEU . . . . . 0.473 HD12 ' HB3' ' C' ' 117' ' ' LYS . 42.9 mt -93.45 145.98 30.99 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.574 -0.739 . . . . 10.0 110.284 179.558 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -82.34 169.24 14.26 Favored 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 122.796 2.331 . . . . 10.0 112.113 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 3.4 m 58.72 69.87 0.7 Allowed 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.775 -0.648 . . . . 10.0 112.528 179.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 123' ' ' ARG . . . . . 0.54 ' HB3' HD12 ' C' ' 84' ' ' ILE . 15.4 ptp180 -89.28 144.85 25.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.068 -0.514 . . . . 10.0 110.085 179.349 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.96 -34.84 15.01 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.778 0.323 . . . . 10.0 110.538 -179.252 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 89.3 t -102.21 117.73 47.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 109.876 -0.416 . . . . 10.0 109.876 178.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 126' ' ' ASP . . . . . 0.673 ' OD1' ' HG2' ' C' ' 128' ' ' LYS . 10.9 t70 -73.3 151.71 41.21 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.16 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 3.3 m -58.5 -42.52 87.82 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.576 -0.284 . . . . 10.0 111.143 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 128' ' ' LYS . . . . . 0.673 ' HG2' ' OD1' ' C' ' 126' ' ' ASP . 8.3 pttm -60.22 -42.57 95.46 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 113.434 0.902 . . . . 10.0 113.434 -178.295 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -72.51 -33.34 66.85 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.735 -0.386 . . . . 10.0 111.183 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -70.17 -37.46 75.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.245 0.545 . . . . 10.0 109.629 178.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 131' ' ' GLN . . . . . 0.552 ' HB3' ' CZ ' ' B' ' 161' ' ' ARG . 70.8 mt-30 -69.64 -40.58 76.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.559 -0.746 . . . . 10.0 110.382 179.497 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -59.9 -46.18 90.18 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.302 -0.408 . . . . 10.0 111.376 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 50.8 tp -59.88 -42.46 93.79 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.07 0.462 . . . . 10.0 110.169 179.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.89 -35.33 80.33 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.036 179.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 135' ' ' ARG . . . . . 0.625 ' HG3' ' HB3' ' B' ' 161' ' ' ARG . 7.1 tmm_? -64.87 -42.53 94.77 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 115.772 -0.649 . . . . 10.0 110.583 179.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 17.5 m -64.83 -27.36 68.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.067 0.461 . . . . 10.0 110.532 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 11.2 m-30 -85.45 -39.22 17.76 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.057 -0.52 . . . . 10.0 110.572 178.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 98.59 25.76 9.72 Favored Glycine 0 N--CA 1.448 -0.541 0 N-CA-C 110.975 -0.85 . . . . 10.0 110.975 -179.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 47.8 pt -114.91 150.42 44.1 Favored Pre-proline 0 C--N 1.326 -0.44 0 N-CA-C 110.36 -0.237 . . . . 10.0 110.36 -179.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 140' ' ' PRO . . . . . 0.419 ' HG2' HG22 ' C' ' 112' ' ' VAL . 57.8 Cg_endo -74.43 147.72 37.04 Favored 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 122.507 2.138 . . . . 10.0 112.044 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 141' ' ' PHE . . . . . 0.532 ' HA ' ' O ' ' C' ' 113' ' ' LEU . 51.9 t80 -128.13 125.88 40.0 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.097 -0.501 . . . . 10.0 110.28 179.659 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 78.4 mt -131.09 129.86 63.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.356 -0.384 . . . . 10.0 110.948 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -79.2 128.18 32.98 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.765 -0.828 . . . . 10.0 108.765 178.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 5.3 p -136.37 176.84 8.33 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.902 0.704 . . . . 10.0 112.902 -177.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 6.9 t -161.84 131.87 4.79 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 108.118 -1.068 . . . . 10.0 108.118 178.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -73.48 -27.27 61.3 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.051 0.453 . . . . 10.0 110.977 -179.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 49.5 mttt -70.48 -44.06 68.5 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.827 -0.624 . . . . 10.0 111.551 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 53.9 p -82.41 -27.59 31.92 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.646 -179.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 149' ' ' ARG . . . . . 0.484 ' HG3' ' O ' ' C' ' 149' ' ' ARG . 12.1 tpt180 67.33 23.09 9.35 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 122.221 1.01 . . . . 10.0 108.729 -178.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -89.33 115.57 26.9 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.795 -1.093 . . . . 10.0 111.413 -178.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 77.2 -2.66 60.72 Favored Glycine 0 CA--C 1.52 0.349 0 CA-C-N 116.065 -0.516 . . . . 10.0 113.911 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 152' ' ' VAL . . . . . 0.44 HG12 HD13 ' C' ' 23' ' ' LEU . 37.9 t -66.75 -38.53 81.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.834 0.35 . . . . 10.0 111.482 -179.034 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -66.95 -45.55 77.43 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.096 0.474 . . . . 10.0 110.837 -179.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -70.95 -27.47 63.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.974 -0.557 . . . . 10.0 112.02 -178.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -56.91 -45.38 82.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.977 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -73.03 -35.77 66.83 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.125 -0.489 . . . . 10.0 111.093 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -62.4 -47.65 83.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.968 -0.56 . . . . 10.0 111.739 -179.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 27.4 m -61.96 -34.87 76.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.57 -0.286 . . . . 10.0 111.323 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 159' ' ' LEU . . . . . 0.431 ' O ' HG13 ' C' ' 163' ' ' ILE . 64.0 tp -60.85 -44.58 96.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.301 0.572 . . . . 10.0 109.538 178.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 78.9 t -67.67 -39.99 83.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.387 -0.824 . . . . 10.0 110.281 179.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 54.2 mtm-85 -63.04 -35.23 79.56 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.825 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 47.8 mm-40 -65.34 -34.78 79.12 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.72 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 163' ' ' ILE . . . . . 0.431 HG13 ' O ' ' C' ' 159' ' ' LEU . 54.7 mt -67.7 -42.17 86.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 108.749 -0.834 . . . . 10.0 108.749 178.344 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -61.54 -39.95 92.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.152 -0.931 . . . . 10.0 110.145 179.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 28.6 ttmt -62.21 -46.98 86.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.718 -0.674 . . . . 10.0 110.646 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 22.0 t-80 -62.13 -47.24 85.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.973 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -64.2 -26.42 68.51 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.974 0.361 . . . . 10.0 111.974 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -81.67 -44.56 16.97 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.734 -0.469 . . . . 10.0 109.734 178.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -60.84 -35.67 77.15 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.947 -0.569 . . . . 10.0 110.969 179.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 83.5 mmm -73.44 -30.27 63.1 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 116.038 -0.528 . . . . 10.0 111.911 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 60.9 m -75.35 -25.85 58.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.074 0.464 . . . . 10.0 111.415 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 172' ' ' LYS . . . . . 0.408 ' HB3' ' HE2' ' C' ' 172' ' ' LYS . 31.3 mtpt -94.52 -11.9 28.68 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.442 -0.345 . . . . 10.0 110.935 179.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 173' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 62.61 -170.17 0.18 Allowed 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.755 -0.657 . . . . 10.0 112.002 179.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . -135.6 63.11 0.6 Allowed Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.711 -0.757 . . . . 10.0 112.376 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 175' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -77.12 109.57 11.07 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.072 0.463 . . . . 10.0 110.539 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 176' ' ' LYS . . . . . . . . . . . . . 29.3 ttpt -140.77 108.71 5.7 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.853 -0.612 . . . . 10.0 109.787 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 177' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.57 -39.03 88.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.069 -0.514 . . . . 10.0 111.698 -179.471 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 178' ' ' LYS . . . . . . . . . . . . . 4.0 mtmp? 66.37 82.26 0.19 Allowed 'General case' 0 N--CA 1.463 0.201 0 O-C-N 123.78 0.675 . . . . 10.0 111.013 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 179' ' ' LYS . . . . . 0.536 ' HA ' ' O1 ' ' C' ' 215' ' ' 17F . 0.0 OUTLIER -122.72 122.86 39.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.097 0.475 . . . . 10.0 111.551 179.749 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 180' ' ' LYS . . . . . 0.529 ' O ' ' H82' ' B' ' 203' ' ' PCW . 25.2 mmtt -153.34 -179.72 8.0 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.475 -0.784 . . . . 10.0 109.794 179.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 181' ' ' SER . . . . . 0.935 ' HA ' ' H52' ' B' ' 203' ' ' PCW . 35.4 t -87.2 -59.6 2.21 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.675 0.274 . . . . 10.0 110.825 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 182' ' ' LYS . . . . . 0.642 ' HD3' ' C11' ' B' ' 203' ' ' PCW . 10.4 pttm -162.23 26.41 0.11 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.076 0.465 . . . . 10.0 110.65 -179.459 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -154.45 73.46 0.91 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.91 -0.586 . . . . 10.0 111.2 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 184' ' ' LYS . . . . . 0.489 ' HB2' ' O5 ' ' C' ' 215' ' ' 17F . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.438 179.414 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 401' ' ' PCW . . . . . 0.912 H462 H242 ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 402' ' ' PCW . . . . . 0.95 ' H73' ' O2P' ' A' ' 410' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 403' ' ' PCW . . . . . 1.224 H282 ' C23' ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 404' ' ' PCW . . . . . 1.085 H421 ' C16' ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 405' ' ' PCW . . . . . 1.012 ' C36' H441 ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 406' ' ' PCW . . . . . 1.065 H472 H262 ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 407' ' ' PCW . . . . . 1.124 H212 ' C17' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 408' ' ' PCW . . . . . 1.113 H231 H231 ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 409' ' ' PCW . . . . . 1.228 ' C19' H142 ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 410' ' ' PCW . . . . . 1.045 H372 H321 ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 411' ' ' PCW . . . . . 1.113 H231 H231 ' A' ' 408' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 412' ' ' PCW . . . . . 0.886 H371 ' H39' ' A' ' 410' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 413' ' ' PCW . . . . . 1.112 H352 H151 ' A' ' 408' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 414' ' ' PCW . . . . . 1.105 H141 ' H62' ' A' ' 415' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 415' ' ' 17F . . . . . 1.105 ' H62' H141 ' A' ' 414' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 416' ' ' 17F . . . . . 1.099 ' H53' H441 ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 417' ' ' PCW . . . . . 1.053 H161 H331 ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 418' ' ' PCW . . . . . 1.04 H422 ' C23' ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 419' ' ' PCW . . . . . 0.984 ' H40' H461 ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 420' ' ' PCW . . . . . 1.053 H331 H161 ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 421' ' ' PCW . . . . . 1.012 H162 ' H57' ' D' ' 630' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 422' ' ' 17F . . . . . 1.068 ' H4A' H132 ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 601' ' ' PCW . . . . . 0.992 H421 H461 ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 602' ' ' PCW . . . . . 0.976 H261 ' H78' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 603' ' ' PCW . . . . . 1.038 ' H41' ' H2 ' ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 604' ' ' PCW . . . . . 0.968 ' C8 ' ' H4A' ' C' ' 219' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 605' ' ' PCW . . . . . 1.07 H211 H382 ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 606' ' ' PCW . . . . . 1.039 H182 H142 ' D' ' 606' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 607' ' ' PCW . . . . . 1.087 H431 H471 ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 608' ' ' PCW . . . . . 1.025 ' H41' H222 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 609' ' ' PCW . . . . . 1.058 H422 H461 ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 610' ' ' PCW . . . . . 0.888 ' H12' ' H6 ' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 611' ' ' PCW . . . . . 0.997 H351 H222 ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 612' ' ' PCW . . . . . 1.118 ' H51' H342 ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 613' ' ' PCW . . . . . 1.04 ' C23' H422 ' A' ' 418' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 614' ' ' PCW . . . . . 1.099 H441 ' H53' ' A' ' 416' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 615' ' ' PCW . . . . . 0.994 H461 H421 ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 616' ' ' PCW . . . . . 1.058 H461 H422 ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 617' ' ' PCW . . . . . 1.011 ' H39' H142 ' D' ' 619' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 618' ' ' PCW . . . . . 1.046 H422 H372 ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 619' ' ' PCW . . . . . 1.011 H142 ' H39' ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 620' ' ' PCW . . . . . 1.024 H211 H482 ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 621' ' ' PCW . . . . . 0.919 H283 ' H35' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 622' ' ' PCW . . . . . 1.1 ' H20' ' H82' ' C' ' 217' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 623' ' ' PCW . . . . . 1.118 H342 ' H51' ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 624' ' ' PCW . . . . . 1.061 H242 H242 ' C' ' 217' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 625' ' ' PCW . . . . . 1.087 H471 H431 ' D' ' 607' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 626' ' ' PCW . . . . . 1.025 H222 ' H41' ' D' ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 627' ' ' PCW . . . . . 1.007 ' H2 ' ' C4 ' ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 628' ' ' 17F . . . . . 1.014 ' H57' H19A ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 629' ' ' 17F . . . . . 1.012 ' H70' ' H36' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 630' ' ' 17F . . . . . 1.012 ' H57' H162 ' A' ' 421' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 631' ' ' 17F . . . . . 1.111 ' H53' H252 ' C' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 632' ' ' 17F . . . . . 1.068 ' H75' H412 ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 201' ' ' GSP . . . . . 1.098 H5'1 ' HA2' ' B' ' 13' ' ' GLY . . . . . . . . 0 O4'--C1' 1.437 1.878 2 O4'-C1'-N19 113.368 5.168 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 202' ' ' ' MG' . . . . . 0.588 'MG ' ' O3G' ' B' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 203' ' ' PCW . . . . . 1.002 H272 ' H71' ' A' ' 416' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 204' ' ' PCW . . . . . 0.989 H231 H272 ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 205' ' ' PCW . . . . . 1.065 H262 H472 ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 206' ' ' PCW . . . . . 1.086 H481 H241 ' D' ' 607' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 207' ' ' PCW . . . . . 0.964 ' H31' ' O4P' ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 208' ' ' PCW . . . . . 1.064 H121 H331 ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 209' ' ' 17F . . . . . 0.988 ' H57' H19A ' B' ' 209' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 210' ' ' 17F . . . . . 0.856 ' H56' H442 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 211' ' ' 17F . . . . . 1.019 ' H66' ' H10' ' B' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 201' ' ' GSP . . . . . 0.843 ' H8 ' ' HA2' ' C' ' 15' ' ' GLY . . . . . . . . 0 O4'--C1' 1.438 1.996 2 O4'-C1'-N19 113.667 5.467 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 202' ' ' ' MG' . . . . . 0.623 'MG ' ' O3G' ' C' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 203' ' ' PCW . . . . . 1.053 H132 H171 ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 204' ' ' PCW . . . . . 1.008 H461 H421 ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 205' ' ' PCW . . . . . 1.078 ' C13' H131 ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 206' ' ' PCW . . . . . 0.92 H242 H381 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 207' ' ' PCW . . . . . 1.1 H151 ' H56' ' C' ' 213' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 208' ' ' PCW . . . . . 1.038 H451 H483 ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 209' ' ' PCW . . . . . 1.078 H131 ' C13' ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 210' ' ' PCW . . . . . 1.111 H252 ' H53' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 211' ' ' PCW . . . . . 1.006 H482 H142 ' C' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 212' ' ' PCW . . . . . 0.954 H241 ' H20' ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 213' ' ' 17F . . . . . 1.1 ' H56' H151 ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 214' ' ' 17F . . . . . 0.834 ' C33' H341 ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 215' ' ' 17F . . . . . 0.949 ' H76' H251 ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 216' ' ' PCW . . . . . 0.91 H442 H341 ' C' ' 217' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 217' ' ' PCW . . . . . 1.1 ' H82' ' H20' ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 218' ' ' 17F . . . . . 1.119 H18A ' O7 ' ' C' ' 218' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 219' ' ' 17F . . . . . 0.968 ' H4A' ' C8 ' ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 34.0 mt . . . . . 0 CA--C 1.517 -0.295 0 CA-C-O 121.506 0.669 . . . . 10.0 109.998 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 21.5 tttm -76.81 -47.58 21.06 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.261 -0.881 . . . . 10.0 110.256 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 79.8 mt -63.23 -38.35 90.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 10.0 111.169 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 27.4 mt -63.55 -34.11 77.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.294 0.569 . . . . 10.0 110.183 179.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -72.61 -47.32 48.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.429 -0.805 . . . . 10.0 110.01 179.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -61.72 -39.62 92.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.802 -0.636 . . . . 10.0 109.698 179.182 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 28.8 t90 -61.94 -33.67 74.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.348 -0.842 . . . . 10.0 110.319 178.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -61.55 -48.85 79.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.961 0.41 . . . . 10.0 110.607 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 49.8 m -59.71 -41.38 90.68 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.478 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 59.8 t -65.89 -39.38 84.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.181 0.515 . . . . 10.0 109.713 178.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 94.1 m -61.55 -45.73 92.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.773 -0.649 . . . . 10.0 109.792 178.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 20.2 m -63.66 -31.2 72.3 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.178 178.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 27.2 m -66.17 -41.57 90.12 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 109.139 -0.689 . . . . 10.0 109.139 178.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -61.96 -40.32 95.17 Favored 'General case' 0 N--CA 1.457 -0.121 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.476 179.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 215' ' ' SER . . . . . 0.432 ' O ' ' HG3' ' A' ' 219' ' ' GLU . 1.4 m -60.16 -52.28 66.0 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 109.679 -0.489 . . . . 10.0 109.679 179.092 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 216' ' ' LYS . . . . . 0.598 ' HD2' HG22 ' D' ' 557' ' ' THR . 43.0 mmtt -59.08 -39.23 81.5 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.708 -0.678 . . . . 10.0 110.378 179.279 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 217' ' ' LEU . . . . . 0.575 HD11 H251 ' A' ' 405' ' ' PCW . 43.2 mt -62.7 -46.62 87.31 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-N 115.646 -0.706 . . . . 10.0 110.776 179.383 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 11.3 mtp180 -63.27 -38.06 89.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.391 -0.368 . . . . 10.0 110.717 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 219' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' A' ' 215' ' ' SER . 44.0 mt-10 -64.46 -31.26 72.39 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 116.253 -0.431 . . . . 10.0 110.644 179.141 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -85.73 -39.04 17.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.299 179.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 35.8 mt -56.19 -40.64 74.27 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.858 -0.61 . . . . 10.0 111.716 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -50.9 -67.49 1.91 Allowed Glycine 0 CA--C 1.52 0.359 0 C-N-CA 121.11 -0.567 . . . . 10.0 111.756 179.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -54.04 -40.78 79.95 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 123.009 2.473 . . . . 10.0 111.293 178.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 24.3 t -56.34 -42.57 74.66 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-O 120.81 0.338 . . . . 10.0 110.24 179.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . 0.434 ' O ' ' HB2' ' A' ' 229' ' ' TRP . 14.5 m -62.23 -45.25 94.17 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.643 -0.503 . . . . 10.0 109.643 178.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -62.98 -46.21 88.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.888 -0.596 . . . . 10.0 111.063 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -62.43 -52.64 62.77 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.262 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 5.3 m-30 -61.53 -41.7 97.72 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.043 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 229' ' ' TRP . . . . . 0.434 ' HB2' ' O ' ' A' ' 225' ' ' THR . 1.1 m-90 -63.62 -38.26 90.46 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 116.629 -0.26 . . . . 10.0 110.466 179.285 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -61.34 -48.7 80.13 Favored 'General case' 0 CA--C 1.52 -0.179 0 N-CA-C 109.373 -0.602 . . . . 10.0 109.373 178.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 231' ' ' ASN . . . . . 0.616 ' HA ' ' HE2' ' A' ' 234' ' ' LYS . 72.2 m-20 -63.99 -43.9 94.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.606 -0.724 . . . . 10.0 110.081 179.135 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 47.4 mt -60.06 -44.67 94.54 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 115.945 -0.571 . . . . 10.0 110.665 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -63.78 -32.18 73.59 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 116.44 -0.345 . . . . 10.0 111.269 179.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 234' ' ' LYS . . . . . 0.616 ' HE2' ' HA ' ' A' ' 231' ' ' ASN . 41.3 mtmt -73.52 -35.0 65.52 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.208 -0.664 . . . . 10.0 109.208 178.415 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -67.47 -48.87 65.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.489 -0.778 . . . . 10.0 109.063 178.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 4.4 p -65.43 -34.82 79.19 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 116.015 -0.539 . . . . 10.0 109.947 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 237' ' ' GLU . . . . . 0.544 ' HG2' HE21 ' A' ' 241' ' ' GLN . 32.5 tt0 -61.61 -44.09 97.64 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 108.49 -0.93 . . . . 10.0 108.49 177.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -61.78 -41.37 99.61 Favored Glycine 0 N--CA 1.447 -0.574 0 N-CA-C 110.429 -1.068 . . . . 10.0 110.429 178.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 94.8 mt -65.48 -34.45 78.3 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-O 120.896 0.379 . . . . 10.0 110.399 178.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 240' ' ' ARG . . . . . 0.43 ' O ' ' HB3' ' A' ' 243' ' ' MET . 49.9 mtt180 -68.38 -36.55 79.33 Favored 'General case' 0 CA--C 1.519 -0.243 0 N-CA-C 109.358 -0.608 . . . . 10.0 109.358 178.687 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 241' ' ' GLN . . . . . 0.544 HE21 ' HG2' ' A' ' 237' ' ' GLU . 67.0 mt-30 -69.93 -41.24 74.87 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 108.41 -0.959 . . . . 10.0 108.41 177.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -67.16 -26.87 66.87 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-N 115.235 -0.893 . . . . 10.0 110.265 178.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 243' ' ' MET . . . . . 0.861 ' HG3' HD12 ' A' ' 247' ' ' LEU . 39.1 ttm -58.06 -36.01 72.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.91 0.386 . . . . 10.0 110.172 178.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 244' ' ' SER . . . . . 0.448 ' HA ' ' HG2' ' A' ' 248' ' ' GLU . 17.7 m -74.81 8.21 2.6 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.409 -0.814 . . . . 10.0 111.125 179.352 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -132.13 -57.46 0.97 Allowed 'General case' 0 C--O 1.22 -0.496 0 CA-C-N 115.809 -0.632 . . . . 10.0 109.493 179.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 246' ' ' ASP . . . . . 0.69 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 21.1 t70 -57.24 -59.91 4.41 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.524 -0.762 . . . . 10.0 111.228 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 247' ' ' LEU . . . . . 0.861 HD12 ' HG3' ' A' ' 243' ' ' MET . 95.1 mt -76.88 -36.34 56.79 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.18 -0.464 . . . . 10.0 111.579 -179.575 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 248' ' ' GLU . . . . . 0.448 ' HG2' ' HA ' ' A' ' 244' ' ' SER . 73.3 mm-40 -65.75 -47.71 74.32 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.264 0.468 . . . . 10.0 112.264 -179.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -69.56 -30.8 68.67 Favored 'General case' 0 CA--C 1.517 -0.309 0 C-N-CA 121.208 -0.197 . . . . 10.0 110.83 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 250' ' ' VAL . . . . . 0.891 HG21 H271 ' A' ' 412' ' ' PCW . 1.4 p -70.67 -30.16 41.1 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.339 0 C-N-CA 120.577 -0.449 . . . . 10.0 110.485 179.101 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . 0.513 ' O ' HG12 ' A' ' 254' ' ' VAL . 96.2 mttt -81.25 -34.2 32.27 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.159 0.504 . . . . 10.0 110.124 178.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -73.17 -44.27 60.2 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.063 179.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -80.32 -18.39 49.33 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.786 -0.643 . . . . 10.0 112.033 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 254' ' ' VAL . . . . . 0.78 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 1.2 p -63.53 -26.33 40.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 C-N-CA 120.859 -0.337 . . . . 10.0 110.623 179.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 255' ' ' GLN . . . . . 0.51 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 39.6 mt-30 -61.82 -63.56 4.12 Favored Pre-proline 0 CA--C 1.539 0.555 0 CA-C-N 116.416 -0.356 . . . . 10.0 110.557 179.435 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 256' ' ' PRO . . . . . 0.51 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 29.0 Cg_endo -65.92 -32.67 44.69 Favored 'Trans proline' 0 C--N 1.359 1.126 0 C-N-CA 121.449 1.433 . . . . 10.0 111.582 178.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 4.8 m-30 -61.62 -56.09 23.62 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 120.882 0.373 . . . . 10.0 110.285 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 19.3 mt -67.72 -40.25 84.26 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.983 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -57.65 -45.13 85.91 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 116.477 -0.329 . . . . 10.0 111.073 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -64.8 -50.95 64.74 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.132 -0.485 . . . . 10.0 111.115 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -63.2 -37.34 86.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.895 0.378 . . . . 10.0 111.019 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -67.14 -43.11 83.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.105 -0.498 . . . . 10.0 109.769 178.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 263' ' ' LYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 266' ' ' GLN . 0.6 OUTLIER -66.36 -41.47 89.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.995 -0.548 . . . . 10.0 109.804 179.019 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 264' ' ' LYS . . . . . 0.631 ' HE3' ' HB1' ' D' ' 509' ' ' ALA . 42.7 mttp -62.6 -41.38 98.94 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 108.981 -0.748 . . . . 10.0 108.981 178.614 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 1.6 m95 -65.91 -34.74 78.81 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.396 -0.82 . . . . 10.0 110.148 178.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 266' ' ' GLN . . . . . 0.404 ' HB2' ' O ' ' A' ' 263' ' ' LYS . 42.8 mt-30 -59.38 -48.75 80.47 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 108.817 -0.808 . . . . 10.0 108.817 178.026 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -61.84 -44.41 96.89 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.333 -0.849 . . . . 10.0 109.376 178.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 268' ' ' GLU . . . . . 0.496 ' HG2' ' HD3' ' D' ' 506' ' ' ARG . 10.7 mt-10 -58.78 -46.06 88.38 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.877 179.156 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 93.0 mmm -65.68 -43.87 87.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.101 -0.5 . . . . 10.0 110.793 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -62.19 -46.8 87.31 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.466 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 83.5 mt -62.97 -41.64 99.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 10.0 110.197 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 272' ' ' TYR . . . . . 0.435 ' HD1' ' HA ' ' A' ' 272' ' ' TYR . 0.6 OUTLIER -64.47 -41.45 96.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.96 179.256 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 273' ' ' ARG . . . . . 0.605 ' HA ' HG12 ' A' ' 276' ' ' VAL . 86.6 mtt180 -72.36 -37.26 68.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.001 0.429 . . . . 10.0 111.356 179.524 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -65.0 -33.61 76.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.925 -0.58 . . . . 10.0 110.117 178.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 275' ' ' LYS . . . . . 0.692 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 9.9 mptt -87.18 -37.89 16.89 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.828 -0.624 . . . . 10.0 111.138 179.353 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 276' ' ' VAL . . . . . 0.605 HG12 ' HA ' ' A' ' 273' ' ' ARG . 2.8 p -56.24 -32.35 34.64 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.141 0 N-CA-C 112.202 0.445 . . . . 10.0 112.202 -179.309 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -60.98 -63.71 3.99 Favored Pre-proline 0 CA--C 1.538 0.493 0 C-N-CA 121.033 -0.267 . . . . 10.0 111.262 179.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 278' ' ' PRO . . . . . 0.439 ' O ' ' HG3' ' A' ' 282' ' ' GLU . 34.0 Cg_endo -66.18 -34.77 35.38 Favored 'Trans proline' 0 C--N 1.355 0.885 0 C-N-CA 121.74 1.627 . . . . 10.0 112.119 178.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 279' ' ' LEU . . . . . 0.799 HD22 ' HE3' ' D' ' 495' ' ' LYS . 14.8 mt -63.83 -40.95 97.81 Favored 'General case' 0 C--N 1.334 -0.075 0 C-N-CA 120.775 -0.37 . . . . 10.0 110.675 179.347 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -68.46 -31.26 70.43 Favored 'General case' 0 CA--C 1.522 -0.131 0 N-CA-C 108.921 -0.77 . . . . 10.0 108.921 178.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -68.44 -46.88 68.66 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 108.852 -0.795 . . . . 10.0 108.852 178.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 282' ' ' GLU . . . . . 0.439 ' HG3' ' O ' ' A' ' 278' ' ' PRO . 59.9 mt-10 -60.58 -44.95 95.63 Favored 'General case' 0 C--O 1.227 -0.117 0 CA-C-N 115.828 -0.624 . . . . 10.0 109.617 178.505 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 34.3 mt -63.83 -42.0 97.72 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.352 179.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -58.14 -58.41 8.55 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.632 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 285' ' ' GLU . . . . . 0.459 ' HA ' ' HD2' ' A' ' 288' ' ' ARG . 38.0 mt-10 -64.24 -38.84 92.47 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.907 -0.588 . . . . 10.0 111.113 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 286' ' ' GLY . . . . . 0.465 ' O ' ' HG3' ' A' ' 290' ' ' LYS . . . -61.43 -42.39 99.76 Favored Glycine 0 N--CA 1.444 -0.798 0 N-CA-C 111.298 -0.721 . . . . 10.0 111.298 178.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -69.39 -36.91 77.25 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.692 -0.485 . . . . 10.0 109.692 178.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 288' ' ' ARG . . . . . 0.459 ' HD2' ' HA ' ' A' ' 285' ' ' GLU . 69.6 mtt180 -59.29 -48.38 81.84 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.226 179.217 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 11.0 tm0? -60.98 -50.16 74.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.683 -0.69 . . . . 10.0 110.584 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 290' ' ' LYS . . . . . 0.465 ' HG3' ' O ' ' A' ' 286' ' ' GLY . 44.8 mttp -61.87 -41.36 97.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.073 -0.512 . . . . 10.0 111.388 -179.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 291' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 291' ' ' LEU . 25.8 mt -66.71 -40.52 88.46 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.719 -0.219 . . . . 10.0 110.938 179.257 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -63.34 -45.4 91.41 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 110.142 -0.318 . . . . 10.0 110.142 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.31 -41.26 96.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.071 -0.513 . . . . 10.0 109.948 178.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 41.7 mt -67.43 -41.91 84.04 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.048 -0.524 . . . . 10.0 110.806 179.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -63.95 -37.84 88.88 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.374 -0.375 . . . . 10.0 110.719 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -66.34 -9.72 35.94 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.648 -0.705 . . . . 10.0 111.049 179.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . 0.512 ' HB3' HD12 ' A' ' 301' ' ' LEU . 23.2 mmtp -110.98 -39.01 4.92 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.001 178.294 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 53.8 mt -58.82 -28.02 65.62 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.159 -0.473 . . . . 10.0 111.961 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 299' ' ' SER . . . . . 0.82 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 11.5 m -84.11 -64.92 0.23 Allowed Pre-proline 0 CA--C 1.541 0.623 0 N-CA-C 112.288 0.477 . . . . 10.0 112.288 179.528 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 300' ' ' PRO . . . . . 0.82 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 48.4 Cg_exo -59.42 -48.12 14.55 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 122.485 2.123 . . . . 10.0 112.205 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 301' ' ' LEU . . . . . 0.687 ' HB3' ' HE3' ' D' ' 473' ' ' LYS . 94.6 mt -72.49 -30.31 64.42 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.648 -0.501 . . . . 10.0 109.648 179.212 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -66.19 -49.06 59.93 Favored Glycine 0 N--CA 1.444 -0.814 0 N-CA-C 110.514 -1.034 . . . . 10.0 110.514 178.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -62.73 -38.78 91.83 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 109.534 -0.543 . . . . 10.0 109.534 178.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -62.99 -41.68 99.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.436 -0.802 . . . . 10.0 109.884 178.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 305' ' ' MET . . . . . 0.444 ' SD ' HD13 ' D' ' 469' ' ' LEU . 6.4 tpt -67.39 -39.39 85.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.955 -0.566 . . . . 10.0 109.845 179.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 75.8 mtt180 -68.45 -38.36 81.06 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.532 -0.544 . . . . 10.0 109.532 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 307' ' ' ASP . . . . . 0.47 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 30.7 t0 -65.39 -42.11 92.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.626 -0.716 . . . . 10.0 109.562 178.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 308' ' ' ARG . . . . . 0.47 ' HG3' HD11 ' D' ' 469' ' ' LEU . 16.7 mmt180 -69.96 -31.48 69.22 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.463 -0.79 . . . . 10.0 109.8 178.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -63.61 -35.88 81.98 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.338 -0.616 . . . . 10.0 109.338 178.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 310' ' ' ARG . . . . . 0.47 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 67.1 mtt180 -60.16 -49.26 78.32 Favored 'General case' 0 C--O 1.223 -0.336 0 N-CA-C 108.756 -0.831 . . . . 10.0 108.756 178.287 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -64.87 -40.68 95.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.466 179.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -56.77 -54.13 49.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.808 -0.633 . . . . 10.0 109.941 179.373 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 52.0 t -72.82 -34.16 45.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.859 -0.609 . . . . 10.0 111.717 -179.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 314' ' ' ASP . . . . . 0.423 ' HB2' ' O ' ' A' ' 310' ' ' ARG . 4.5 t70 -64.36 -45.81 86.12 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 122.263 -0.273 . . . . 10.0 110.582 179.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -62.47 -37.06 84.47 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.019 -0.734 . . . . 10.0 109.019 178.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 26.0 mt -68.45 -42.69 78.47 Favored 'General case' 0 C--O 1.218 -0.598 0 CA-C-N 115.483 -0.78 . . . . 10.0 110.15 178.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 11.9 mtm105 -63.56 -41.32 98.41 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.991 0.424 . . . . 10.0 110.689 179.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 4.7 m -68.42 -18.66 64.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.478 0.656 . . . . 10.0 110.293 179.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -93.23 -40.53 10.4 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.554 -0.748 . . . . 10.0 109.746 178.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 75.9 mt -67.72 -33.66 75.33 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.818 -0.628 . . . . 10.0 111.478 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 321' ' ' ALA . . . . . 0.468 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -53.38 -59.25 9.79 Favored Pre-proline 0 CA--C 1.537 0.475 0 N-CA-C 112.025 0.38 . . . . 10.0 112.025 179.651 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . 0.468 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 54.3 Cg_endo -72.72 -33.72 7.85 Favored 'Trans proline' 0 C--N 1.353 0.814 0 C-N-CA 121.589 1.526 . . . . 10.0 111.806 178.589 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 7.7 m-30 -65.43 -39.39 92.04 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 112.03 0.381 . . . . 10.0 112.03 -179.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 324' ' ' SER . . . . . 0.625 ' HA ' HD12 ' A' ' 327' ' ' LEU . 50.0 p -65.9 -38.3 88.35 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.933 -0.395 . . . . 10.0 109.933 179.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 325' ' ' ASP . . . . . 0.855 ' HA ' ' HD2' ' A' ' 328' ' ' ARG . 5.8 t70 -67.62 -36.81 81.52 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.57 -0.53 . . . . 10.0 109.57 178.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 71.7 mt-10 -66.09 -34.37 77.91 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 108.507 -0.923 . . . . 10.0 108.507 177.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . 0.625 HD12 ' HA ' ' A' ' 324' ' ' SER . 15.6 mt -66.07 -37.58 86.15 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 108.793 -0.817 . . . . 10.0 108.793 177.624 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 328' ' ' ARG . . . . . 0.855 ' HD2' ' HA ' ' A' ' 325' ' ' ASP . 85.9 mtt180 -65.35 -44.67 86.94 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 108.404 -0.961 . . . . 10.0 108.404 178.172 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -62.63 -39.85 95.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.733 -0.667 . . . . 10.0 109.524 178.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 330' ' ' ARG . . . . . 0.656 HH21 ' HB3' ' D' ' 447' ' ' GLU . 27.0 mtt180 -61.91 -53.83 50.29 Favored 'General case' 0 C--O 1.223 -0.329 0 CA-C-N 115.75 -0.659 . . . . 10.0 109.705 178.562 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 64.4 mt -60.97 -37.92 84.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.936 -0.575 . . . . 10.0 111.242 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -63.4 -51.97 63.59 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.994 -0.373 . . . . 10.0 109.994 178.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -62.06 -44.98 95.52 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.58 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 334' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 334' ' ' ARG . 39.8 mtt180 -60.19 -48.78 80.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.007 -0.542 . . . . 10.0 111.034 179.221 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 335' ' ' LEU . . . . . 0.465 ' O ' ' HB2' ' A' ' 339' ' ' LYS . 49.0 mt -68.0 -27.75 66.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.35 -0.386 . . . . 10.0 111.322 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -69.16 -43.68 73.79 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.082 -0.711 . . . . 10.0 109.082 178.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -68.0 -48.55 65.46 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.586 -0.734 . . . . 10.0 109.615 178.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 75.0 mt -63.32 -23.03 67.24 Favored 'General case' 0 C--O 1.223 -0.307 0 CA-C-N 115.761 -0.654 . . . . 10.0 111.346 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 339' ' ' LYS . . . . . 0.465 ' HB2' ' O ' ' A' ' 335' ' ' LEU . 74.6 tttt -72.12 -47.05 54.04 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 110.017 -0.364 . . . . 10.0 110.017 179.148 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -71.83 -47.71 51.29 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 120.98 0.419 . . . . 10.0 110.177 179.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -62.25 -41.04 98.09 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.778 -0.646 . . . . 10.0 109.764 178.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -64.06 -43.07 97.82 Favored Glycine 0 N--CA 1.45 -0.391 0 N-CA-C 111.385 -0.686 . . . . 10.0 111.385 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -61.83 -43.25 99.48 Favored Glycine 0 C--N 1.33 0.207 0 N-CA-C 110.788 -0.925 . . . . 10.0 110.788 178.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -63.49 -45.18 91.88 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.527 -0.546 . . . . 10.0 109.527 178.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 28.0 mtm180 -64.01 -37.46 87.52 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 115.961 -0.563 . . . . 10.0 111.005 179.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 20.0 mt -61.84 -46.69 88.38 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.847 -0.427 . . . . 10.0 109.847 179.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.18 -41.8 97.45 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.59 -0.522 . . . . 10.0 109.59 178.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 348' ' ' GLU . . . . . 0.471 ' HB3' ' HE2' ' A' ' 352' ' ' LYS . 3.6 mt-10 -65.97 -40.89 91.67 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.687 -0.688 . . . . 10.0 110.628 178.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -61.63 -43.84 98.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.239 -0.437 . . . . 10.0 110.546 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 69.0 m-70 -68.31 -37.52 80.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 10.0 109.992 179.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -63.39 -44.26 95.23 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 109.527 -0.546 . . . . 10.0 109.527 178.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 352' ' ' LYS . . . . . 0.471 ' HE2' ' HB3' ' A' ' 348' ' ' GLU . 13.5 mttm -68.13 -40.65 82.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.541 -0.754 . . . . 10.0 110.093 179.185 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.52 -37.42 78.29 Favored 'General case' 0 C--O 1.225 -0.235 0 N-CA-C 109.67 -0.492 . . . . 10.0 109.67 178.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 83.1 m -64.98 -40.36 94.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.901 -0.59 . . . . 10.0 109.809 178.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -69.26 -35.73 76.39 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 116.262 -0.427 . . . . 10.0 110.188 178.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 356' ' ' HIS . . . . . 0.401 ' O ' ' HB2' ' A' ' 360' ' ' LEU . 12.3 m-70 -69.58 -35.88 75.76 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.05 -0.722 . . . . 10.0 109.05 178.398 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 23.0 mt -70.83 -41.13 71.93 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.973 -0.558 . . . . 10.0 111.879 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 4.1 p -64.84 -41.24 95.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.918 0.39 . . . . 10.0 110.815 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 359' ' ' THR . . . . . 0.467 HG21 ' HG3' ' D' ' 418' ' ' GLN . 3.0 p -74.19 -29.05 61.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.309 -0.405 . . . . 10.0 109.991 178.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 360' ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' A' ' 356' ' ' HIS . 27.4 tp -64.98 -31.18 72.3 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 115.429 -0.805 . . . . 10.0 109.266 178.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 4.9 m -60.13 -35.64 75.72 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.324 -0.398 . . . . 10.0 109.997 178.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 362' ' ' GLU . . . . . 0.449 ' HA ' ' HD2' ' A' ' 366' ' ' PRO . 42.2 mm-40 -66.53 -25.7 66.79 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.281 0.562 . . . . 10.0 110.14 178.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 363' ' ' LYS . . . . . 0.667 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 89.3 mttt -89.61 -32.05 17.28 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.872 -0.603 . . . . 10.0 110.252 179.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 364' ' ' ALA . . . . . 0.407 ' HA ' HD12 ' A' ' 368' ' ' LEU . . . -82.06 -28.11 32.59 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.886 0.698 . . . . 10.0 112.886 -178.628 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 365' ' ' LYS . . . . . 0.964 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 82.9 mttt -107.51 -75.19 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 N-CA-C 112.83 0.678 . . . . 10.0 112.83 -179.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 366' ' ' PRO . . . . . 0.964 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 50.7 Cg_exo -57.29 -56.78 1.6 Allowed 'Trans proline' 0 C--N 1.356 0.931 0 C-N-CA 122.141 1.894 . . . . 10.0 112.925 -179.516 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 367' ' ' ALA . . . . . 0.667 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -59.46 -48.57 81.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.608 -0.269 . . . . 10.0 111.705 -179.416 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 368' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 364' ' ' ALA . 1.7 mt -61.81 -42.26 98.8 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 111.78 0.289 . . . . 10.0 111.78 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -64.39 -43.85 93.18 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.902 -0.319 . . . . 10.0 110.402 179.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -61.21 -42.8 99.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.284 0.564 . . . . 10.0 109.947 178.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 72.7 mt -64.52 -44.38 91.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.6 -0.727 . . . . 10.0 110.361 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 -65.91 -44.58 84.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.29 -0.414 . . . . 10.0 111.01 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -64.21 -24.68 67.76 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.512 179.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -89.08 -32.49 10.62 Favored Glycine 0 N--CA 1.446 -0.678 0 N-CA-C 111.003 -0.839 . . . . 10.0 111.003 178.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 29.4 mt -65.83 -33.59 76.2 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 122.885 -0.185 . . . . 10.0 110.898 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 376' ' ' LEU . . . . . 0.403 ' HB2' ' CD ' ' A' ' 377' ' ' PRO . 72.0 mt -54.08 -62.42 3.9 Favored Pre-proline 0 CA--C 1.538 0.481 0 N-CA-C 112.274 0.472 . . . . 10.0 112.274 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 377' ' ' PRO . . . . . 0.403 ' CD ' ' HB2' ' A' ' 376' ' ' LEU . 24.4 Cg_endo -63.6 -33.12 68.49 Favored 'Trans proline' 0 C--N 1.355 0.888 0 C-N-CA 121.778 1.652 . . . . 10.0 111.962 179.44 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 41.1 t -65.23 -48.38 83.73 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 N-CA-C 109.872 -0.418 . . . . 10.0 109.872 179.058 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 379' ' ' LEU . . . . . 0.608 ' O ' ' HG3' ' A' ' 383' ' ' LYS . 35.0 mt -63.62 -36.88 85.29 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.545 -0.539 . . . . 10.0 109.545 178.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 380' ' ' GLU . . . . . 0.42 ' HA ' ' HD2' ' A' ' 383' ' ' LYS . 36.1 tt0 -63.7 -49.41 73.23 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.315 -0.402 . . . . 10.0 110.908 179.313 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 1.6 p -63.37 -33.9 76.55 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.231 0.538 . . . . 10.0 109.641 178.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -68.51 -36.63 79.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.564 -0.744 . . . . 10.0 109.693 178.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 383' ' ' LYS . . . . . 0.608 ' HG3' ' O ' ' A' ' 379' ' ' LEU . 84.8 mttt -58.51 -48.84 79.49 Favored 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 109.221 -0.659 . . . . 10.0 109.221 178.357 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 17.7 t -62.13 -44.63 99.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.814 -0.63 . . . . 10.0 109.598 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 36.2 m -61.38 -40.2 93.47 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.979 179.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 386' ' ' PHE . . . . . 0.411 ' O ' ' HG ' ' A' ' 390' ' ' LEU . 7.0 m-85 -68.44 -43.11 77.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.407 -0.36 . . . . 10.0 110.312 179.195 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 387' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 383' ' ' LYS . 86.1 mt -57.5 -47.22 82.53 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.521 179.216 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 388' ' ' SER . . . . . 0.451 ' O ' ' HG2' ' A' ' 392' ' ' GLU . 2.4 p -65.5 -38.29 89.3 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.422 -0.354 . . . . 10.0 110.478 179.402 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -61.76 -44.19 97.38 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.367 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 390' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 386' ' ' PHE . 74.0 mt -60.22 -46.4 89.9 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 115.88 -0.6 . . . . 10.0 109.957 179.211 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 391' ' ' GLU . . . . . 0.438 ' HG3' ' O ' ' A' ' 387' ' ' LEU . 44.2 mt-10 -59.66 -42.96 94.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.595 -0.729 . . . . 10.0 111.039 179.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 392' ' ' GLU . . . . . 0.451 ' HG2' ' O ' ' A' ' 388' ' ' SER . 54.6 mm-40 -57.56 -44.98 85.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.891 0.377 . . . . 10.0 110.964 179.491 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -65.35 -43.52 90.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.14 0.495 . . . . 10.0 110.562 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 20.4 m -67.05 -32.1 73.06 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.98 -0.554 . . . . 10.0 112.122 -179.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -79.76 -39.59 30.65 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.699 0.629 . . . . 10.0 112.699 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 396' ' ' LYS . . . . . 0.701 ' HE2' ' HA ' ' D' ' 587' ' ' ALA . 13.8 mptt -89.07 -29.52 19.36 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 114.129 1.159 . . . . 10.0 114.129 -177.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 32.2 mt -100.03 -14.37 18.67 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.849 0.685 . . . . 10.0 112.849 -178.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 58.1 t30 . . . . . 0 C--N 1.324 -0.508 0 CA-C-O 120.535 0.207 . . . . 10.0 111.145 -179.221 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 399' ' ' LEU . . . . . 0.453 HD13 ' HA ' ' D' ' 399' ' ' LEU . 1.5 mm? . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.948 0.404 . . . . 10.0 110.938 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 26.9 mtpt -107.65 14.39 25.7 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.084 -0.507 . . . . 10.0 109.959 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 80.6 mt -62.21 -41.95 98.85 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.506 -0.77 . . . . 10.0 110.464 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 84.5 mt -61.3 -39.77 91.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.808 -0.633 . . . . 10.0 111.152 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -63.23 -47.7 81.36 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.829 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 404' ' ' ASN . . . . . 0.489 ' O ' HG23 ' D' ' 408' ' ' VAL . 23.0 t-20 -68.1 -46.98 69.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.983 0.421 . . . . 10.0 110.834 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -38.82 81.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.785 -0.643 . . . . 10.0 111.636 -179.445 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -60.82 -46.41 90.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.396 -0.365 . . . . 10.0 110.761 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 2.5 m -63.42 -34.65 78.21 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-O 120.937 0.398 . . . . 10.0 110.522 179.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 408' ' ' VAL . . . . . 0.489 HG23 ' O ' ' D' ' 404' ' ' ASN . 93.6 t -67.24 -37.98 80.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 N-CA-C 108.196 -1.038 . . . . 10.0 108.196 178.061 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 55.9 m -60.71 -42.91 98.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.363 -0.835 . . . . 10.0 109.349 178.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.28 -41.53 89.13 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.783 -0.644 . . . . 10.0 110.061 178.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 411' ' ' THR . . . . . 0.448 HG23 ' HE2' ' A' ' 363' ' ' LYS . 41.7 m -63.51 -39.5 94.6 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.556 -0.747 . . . . 10.0 110.115 179.035 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 11.8 m-30 -64.2 -42.92 96.43 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 116.132 -0.486 . . . . 10.0 109.695 178.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 13.5 m -64.0 -40.43 96.34 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.577 -0.527 . . . . 10.0 109.577 178.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 25.0 mmtm -64.16 -30.74 71.79 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 116.07 -0.514 . . . . 10.0 109.893 178.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 43.1 mt -68.81 -37.58 79.33 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 108.822 -0.807 . . . . 10.0 108.822 177.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -70.19 -34.45 72.98 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 109.411 -0.588 . . . . 10.0 109.411 178.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -64.22 -25.89 68.27 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-N 115.334 -0.848 . . . . 10.0 109.272 178.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 418' ' ' GLN . . . . . 0.467 ' HG3' HG21 ' A' ' 359' ' ' THR . 42.0 mt-30 -85.02 -55.88 3.84 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 108.459 -0.941 . . . . 10.0 108.459 177.468 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 87.3 mt -45.05 -47.82 11.77 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.173 -0.921 . . . . 10.0 112.998 -179.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -53.24 -78.07 0.12 Allowed Glycine 0 CA--C 1.522 0.49 0 C-N-CA 121.172 -0.537 . . . . 10.0 112.96 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 421' ' ' PRO . . . . . 0.526 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 54.0 Cg_exo -54.93 -37.69 93.14 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.942 2.428 . . . . 10.0 112.769 179.578 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 422' ' ' VAL . . . . . 0.505 ' O ' ' HB2' ' D' ' 426' ' ' PHE . 22.1 t -62.35 -49.91 82.03 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.349 0 O-C-N 123.258 0.349 . . . . 10.0 111.656 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 30.5 p -64.68 -33.17 75.32 Favored 'General case' 0 C--O 1.223 -0.306 0 C-N-CA 120.537 -0.465 . . . . 10.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -60.63 -50.06 75.02 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.898 0.38 . . . . 10.0 110.395 179.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 425' ' ' GLU . . . . . 0.526 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 9.5 pt-20 -77.48 -32.14 54.11 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.294 -0.412 . . . . 10.0 110.52 179.604 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 426' ' ' PHE . . . . . 0.505 ' HB2' ' O ' ' D' ' 422' ' ' VAL . 5.8 t80 -66.05 -37.79 86.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.526 -0.306 . . . . 10.0 110.25 179.444 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 3.1 m0 -62.29 -42.91 99.76 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.153 -0.684 . . . . 10.0 109.153 178.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 428' ' ' ASP . . . . . 0.449 ' O ' ' HG3' ' D' ' 432' ' ' LYS . 15.2 t70 -67.63 -37.16 82.06 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.149 -0.686 . . . . 10.0 109.149 178.332 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -61.46 -44.11 97.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.647 -0.706 . . . . 10.0 109.139 177.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 59.9 mt -64.44 -34.8 79.04 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 115.474 -0.784 . . . . 10.0 109.184 178.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 431' ' ' GLU . . . . . 0.426 ' HA ' ' OG1' ' D' ' 434' ' ' THR . 51.9 mt-10 -68.7 -38.27 80.14 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 115.475 -0.784 . . . . 10.0 109.404 178.14 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 432' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' D' ' 428' ' ' ASP . 53.7 mttp -59.53 -43.75 93.39 Favored 'General case' 0 C--O 1.233 0.223 0 N-CA-C 108.29 -1.004 . . . . 10.0 108.29 177.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -63.2 -51.79 64.91 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.005 -0.998 . . . . 10.0 110.256 179.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 434' ' ' THR . . . . . 0.426 ' OG1' ' HA ' ' D' ' 431' ' ' GLU . 0.7 OUTLIER -60.04 -45.04 94.15 Favored 'General case' 0 C--O 1.221 -0.407 0 N-CA-C 111.764 0.283 . . . . 10.0 111.764 -179.601 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -61.15 -44.97 96.49 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.038 0.447 . . . . 10.0 110.163 178.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -64.39 -46.65 89.94 Favored Glycine 0 N--CA 1.448 -0.537 0 N-CA-C 110.726 -0.95 . . . . 10.0 110.726 178.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.03 -30.58 71.64 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 115.636 -0.282 . . . . 10.0 110.806 179.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 73.3 mtt180 -64.33 -39.2 93.43 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.73 -0.47 . . . . 10.0 109.73 178.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -68.72 -33.89 74.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.887 -0.597 . . . . 10.0 109.486 178.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -71.76 -44.44 64.04 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.46 -0.791 . . . . 10.0 109.33 178.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 93.5 mmm -61.57 -43.66 98.45 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.252 -0.885 . . . . 10.0 112.339 -179.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 3.7 p -62.09 -46.9 87.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.898 0.38 . . . . 10.0 110.357 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 443' ' ' LYS . . . . . 0.608 ' O ' ' HB2' ' D' ' 447' ' ' GLU . 29.5 mtpp -65.55 -33.32 75.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.149 0.5 . . . . 10.0 110.798 179.341 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -73.14 -55.84 5.92 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.728 -0.669 . . . . 10.0 110.58 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 95.9 mt -59.96 -46.63 88.79 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 113.03 0.752 . . . . 10.0 113.03 -178.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -62.25 -39.26 92.3 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.704 -0.398 . . . . 10.0 110.662 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 447' ' ' GLU . . . . . 0.656 ' HB3' HH21 ' A' ' 330' ' ' ARG . 2.9 tt0 -71.27 -34.51 70.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.917 -0.583 . . . . 10.0 109.989 178.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 2.4 t -60.55 -42.83 92.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.246 -0.433 . . . . 10.0 110.198 179.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 78.3 mttt -64.22 -33.04 74.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.238 0.542 . . . . 10.0 109.716 178.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -92.07 15.13 14.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.38 -0.827 . . . . 10.0 110.939 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 42.1 mttm -129.43 -51.12 1.18 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.41 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 87.0 t -61.33 -35.82 68.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.775 0.321 . . . . 10.0 110.77 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -63.76 -62.59 5.08 Favored Pre-proline 0 CA--C 1.538 0.515 0 CA-C-N 116.561 -0.29 . . . . 10.0 111.474 179.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_endo -62.64 -33.76 76.49 Favored 'Trans proline' 0 C--N 1.355 0.877 0 C-N-CA 122.197 1.931 . . . . 10.0 112.358 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -68.87 -46.27 68.85 Favored 'General case' 0 C--O 1.224 -0.288 0 C-N-CA 121.136 -0.226 . . . . 10.0 110.523 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 456' ' ' LEU . . . . . 0.467 HD23 ' HA ' ' D' ' 456' ' ' LEU . 11.0 mt -64.33 -36.36 83.86 Favored 'General case' 0 CA--C 1.515 -0.385 0 C-N-CA 120.708 -0.397 . . . . 10.0 110.117 179.175 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -63.02 -50.0 72.39 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.66 -0.496 . . . . 10.0 109.66 178.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 458' ' ' ASP . . . . . 0.49 ' HA ' ' HD2' ' D' ' 461' ' ' LYS . 27.1 t70 -65.18 -35.81 82.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.784 -0.644 . . . . 10.0 110.805 179.03 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 459' ' ' PHE . . . . . 0.474 ' HD2' ' HA ' ' D' ' 459' ' ' PHE . 0.1 OUTLIER -68.91 -43.25 75.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.082 -0.508 . . . . 10.0 109.875 179.122 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -65.7 -31.66 72.79 Favored 'General case' 0 CA--C 1.519 -0.224 0 N-CA-C 109.818 -0.438 . . . . 10.0 109.818 178.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 461' ' ' LYS . . . . . 0.491 ' O ' ' HG3' ' D' ' 465' ' ' GLU . 65.9 mttt -62.88 -44.02 97.22 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 108.564 -0.902 . . . . 10.0 108.564 177.556 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 13.4 mtmm -69.65 -37.27 76.67 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.376 -0.829 . . . . 10.0 109.821 178.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 38.5 m0 -63.44 -39.38 94.33 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 108.937 -0.764 . . . . 10.0 108.937 178.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -63.7 -40.78 97.63 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 108.918 -0.771 . . . . 10.0 108.918 178.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 465' ' ' GLU . . . . . 0.546 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 45.7 mt-10 -60.97 -53.93 51.26 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.273 -0.64 . . . . 10.0 109.273 178.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 466' ' ' GLU . . . . . 0.714 ' OE2' H261 ' D' ' 602' ' ' PCW . 0.2 OUTLIER -58.04 -50.66 72.67 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.7 -0.682 . . . . 10.0 111.752 -179.482 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 70.2 mtm -61.24 -36.42 79.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.871 0.367 . . . . 10.0 111.103 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 468' ' ' GLU . . . . . 0.631 ' HG2' HE22 ' D' ' 472' ' ' GLN . 26.4 tt0 -69.4 -42.1 75.55 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.208 -0.664 . . . . 10.0 109.208 179.013 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 469' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' D' ' 465' ' ' GLU . 94.9 mt -63.42 -26.86 68.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.282 -0.872 . . . . 10.0 110.679 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 19.3 m-30 -68.32 -27.82 66.63 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.097 0.475 . . . . 10.0 109.95 179.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 471' ' ' ARG . . . . . 0.429 ' HG2' ' OE2' ' D' ' 475' ' ' GLU . 71.2 mtt85 -77.35 -22.61 51.54 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.578 -0.527 . . . . 10.0 109.578 178.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 472' ' ' GLN . . . . . 0.631 HE22 ' HG2' ' D' ' 468' ' ' GLU . 2.0 mt-30 -99.58 -5.59 28.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.783 -0.644 . . . . 10.0 110.969 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 473' ' ' LYS . . . . . 0.687 ' HE3' ' HB3' ' A' ' 301' ' ' LEU . 62.3 mttp -127.07 -76.17 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.321 -0.4 . . . . 10.0 111.98 -179.675 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 61.9 t -49.96 -52.99 12.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 N-CA-C 113.039 0.755 . . . . 10.0 113.039 -178.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 475' ' ' GLU . . . . . 0.429 ' OE2' ' HG2' ' D' ' 471' ' ' ARG . 41.1 mt-10 -58.14 -58.44 18.77 Favored Pre-proline 0 CA--C 1.537 0.471 0 N-CA-C 113.929 1.085 . . . . 10.0 113.929 -179.169 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -62.86 -34.78 70.89 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 121.968 1.779 . . . . 10.0 111.601 178.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 31.6 mt -67.95 -27.67 66.81 Favored 'General case' 0 C--O 1.225 -0.189 0 N-CA-C 109.853 -0.425 . . . . 10.0 109.853 178.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 478' ' ' ARG . . . . . 0.407 ' O ' ' HB2' ' D' ' 482' ' ' GLN . 67.5 mtt180 -71.11 -25.52 62.63 Favored 'General case' 0 CA--C 1.516 -0.347 0 N-CA-C 109.337 -0.616 . . . . 10.0 109.337 177.664 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -79.77 -36.65 36.83 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 107.594 -1.262 . . . . 10.0 107.594 177.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.53 -41.16 93.4 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 108.066 -1.087 . . . . 10.0 108.066 177.25 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 58.3 mt -73.53 -28.65 62.0 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 115.097 -0.956 . . . . 10.0 110.032 178.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 482' ' ' GLN . . . . . 0.407 ' HB2' ' O ' ' D' ' 478' ' ' ARG . 6.7 tp60 -63.75 -55.23 24.79 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 108.299 -1.0 . . . . 10.0 108.299 178.138 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 483' ' ' GLU . . . . . 0.497 ' OE2' ' HD2' ' D' ' 486' ' ' ARG . 1.2 tp10 -64.3 -39.38 93.8 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.76 -0.654 . . . . 10.0 109.574 178.686 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -61.3 -41.8 99.6 Favored Glycine 0 N--CA 1.447 -0.592 0 N-CA-C 111.319 -0.712 . . . . 10.0 111.319 178.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -68.18 -41.56 81.28 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 109.404 -0.591 . . . . 10.0 109.404 178.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 486' ' ' ARG . . . . . 0.497 ' HD2' ' OE2' ' D' ' 483' ' ' GLU . 60.9 mtt180 -60.7 -42.2 96.71 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.906 -0.588 . . . . 10.0 109.88 178.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 487' ' ' GLN . . . . . 0.615 ' O ' ' HG3' ' D' ' 491' ' ' GLU . 20.3 mm-40 -65.96 -46.44 78.11 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.509 178.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -62.75 -42.57 99.74 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.912 179.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 36.1 mt -63.97 -35.55 81.07 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.487 -0.56 . . . . 10.0 109.487 178.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 8.2 t-160 -68.85 -39.27 79.99 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 108.518 -0.919 . . . . 10.0 108.518 178.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 491' ' ' GLU . . . . . 0.615 ' HG3' ' O ' ' D' ' 487' ' ' GLN . 44.3 mt-10 -62.67 -39.34 93.61 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 108.627 -0.879 . . . . 10.0 108.627 177.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 96.4 mt -71.8 -41.82 67.82 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-N 115.587 -0.733 . . . . 10.0 111.322 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -56.58 -44.22 80.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.984 0.421 . . . . 10.0 110.64 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -74.4 14.0 0.51 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.68 -0.691 . . . . 10.0 111.833 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 495' ' ' LYS . . . . . 0.799 ' HE3' HD22 ' A' ' 279' ' ' LEU . 54.5 mttp -131.74 -40.58 1.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.885 -0.598 . . . . 10.0 109.578 178.647 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 496' ' ' LEU . . . . . 0.582 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 60.6 mt -70.31 -28.35 65.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.814 -0.63 . . . . 10.0 111.669 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 497' ' ' SER . . . . . 0.45 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 22.1 m -79.2 -62.89 0.41 Allowed Pre-proline 0 CA--C 1.536 0.408 0 C-N-CA 120.641 -0.423 . . . . 10.0 111.681 178.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 498' ' ' PRO . . . . . 0.45 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 22.8 Cg_endo -62.13 -60.68 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 C-N-CA 122.032 1.821 . . . . 10.0 112.311 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 499' ' ' LEU . . . . . 0.6 HD11 ' HG2' ' A' ' 275' ' ' LYS . 5.6 mp -65.52 -26.45 67.9 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 116.751 -0.204 . . . . 10.0 110.505 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 500' ' ' GLY . . . . . 0.582 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -64.39 -48.21 76.39 Favored Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 110.971 -0.852 . . . . 10.0 110.971 178.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -70.61 -29.88 66.39 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 109.138 -0.69 . . . . 10.0 109.138 178.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 502' ' ' GLU . . . . . 0.555 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 28.5 tt0 -66.75 -45.42 78.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.53 -0.759 . . . . 10.0 109.286 178.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 81.4 mmm -62.11 -37.94 87.03 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.16 0.505 . . . . 10.0 109.832 178.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 504' ' ' ARG . . . . . 0.477 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 87.9 mtt180 -67.08 -41.87 85.62 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.755 -0.657 . . . . 10.0 109.55 178.609 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 505' ' ' ASP . . . . . 0.462 ' HA ' ' HD2' ' D' ' 508' ' ' ARG . 5.4 t0 -64.58 -39.82 94.42 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.544 -0.753 . . . . 10.0 109.582 179.263 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 506' ' ' ARG . . . . . 0.555 ' HG3' ' O ' ' D' ' 502' ' ' GLU . 84.3 mtt180 -62.4 -45.39 93.33 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 108.016 -1.105 . . . . 10.0 108.016 177.52 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -59.61 -39.94 85.9 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-N 115.371 -0.831 . . . . 10.0 109.869 179.021 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 508' ' ' ARG . . . . . 0.477 ' HG3' ' O ' ' D' ' 504' ' ' ARG . 73.6 mtt180 -58.23 -46.87 85.12 Favored 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 109.435 -0.58 . . . . 10.0 109.435 178.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 509' ' ' ALA . . . . . 0.631 ' HB1' ' HE3' ' A' ' 264' ' ' LYS . . . -65.15 -40.99 95.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.591 -0.732 . . . . 10.0 110.234 179.327 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 510' ' ' HIS . . . . . 0.49 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 33.7 m-70 -61.2 -51.0 70.85 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.066 -0.516 . . . . 10.0 110.128 179.176 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 511' ' ' VAL . . . . . 0.447 ' O ' ' HG3' ' D' ' 515' ' ' ARG . 60.7 t -65.06 -37.98 81.61 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.122 0 N-CA-C 110.029 -0.36 . . . . 10.0 110.029 179.173 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -57.99 -44.11 86.99 Favored 'General case' 0 CA--C 1.52 -0.188 0 N-CA-C 108.966 -0.754 . . . . 10.0 108.966 178.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -67.83 -44.24 77.67 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.557 -0.747 . . . . 10.0 109.308 178.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 514' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' D' ' 510' ' ' HIS . 97.7 mt -56.79 -37.9 71.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.101 179.374 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 515' ' ' ARG . . . . . 0.458 ' O ' ' HB3' ' D' ' 519' ' ' ALA . 64.1 mtt180 -65.81 -30.27 70.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.909 0.385 . . . . 10.0 110.853 179.544 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.18 0.59 46.16 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 116.092 -0.504 . . . . 10.0 111.229 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 517' ' ' HIS . . . . . 0.412 ' O ' ' HB2' ' D' ' 521' ' ' TYR . 23.3 m170 -111.45 -54.93 2.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.129 0.49 . . . . 10.0 110.952 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 56.2 mt -75.46 -52.51 10.54 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.845 -0.616 . . . . 10.0 112.144 -178.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 519' ' ' ALA . . . . . 0.618 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -52.75 -55.88 28.58 Favored Pre-proline 0 N--CA 1.468 0.428 0 N-CA-C 113.025 0.75 . . . . 10.0 113.025 -178.649 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 520' ' ' PRO . . . . . 0.618 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 47.2 Cg_exo -60.73 -41.33 47.41 Favored 'Trans proline' 0 C--N 1.354 0.85 0 C-N-CA 121.793 1.662 . . . . 10.0 111.388 179.113 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 521' ' ' TYR . . . . . 0.412 ' HB2' ' O ' ' D' ' 517' ' ' HIS . 5.2 t80 -65.65 -31.47 72.51 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.811 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 522' ' ' SER . . . . . 0.482 ' O ' ' HG3' ' D' ' 526' ' ' ARG . 74.7 m -63.47 -35.48 80.58 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.657 -0.497 . . . . 10.0 109.657 178.587 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 523' ' ' ASP . . . . . 0.71 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 6.6 t0 -67.1 -39.84 86.78 Favored 'General case' 0 C--O 1.231 0.092 0 N-CA-C 109.03 -0.73 . . . . 10.0 109.03 178.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.43 -39.32 88.87 Favored 'General case' 0 C--O 1.232 0.181 0 N-CA-C 108.96 -0.756 . . . . 10.0 108.96 177.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 62.7 mt -64.59 -34.38 78.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.475 -0.784 . . . . 10.0 109.984 178.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 526' ' ' ARG . . . . . 0.71 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 91.6 mtt180 -62.59 -43.2 99.39 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 108.97 -0.752 . . . . 10.0 108.97 178.445 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -63.2 -41.7 99.21 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.455 -0.793 . . . . 10.0 109.91 179.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 528' ' ' ARG . . . . . 0.69 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 47.9 mtt180 -67.54 -40.2 85.01 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.771 -0.65 . . . . 10.0 109.782 179.351 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 20.3 mt -64.33 -39.43 93.89 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.65 -0.5 . . . . 10.0 109.65 178.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -61.87 -40.14 94.36 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.138 179.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -74.42 -41.06 61.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.238 179.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 532' ' ' ARG . . . . . 0.545 ' O ' ' HG ' ' D' ' 536' ' ' LEU . 10.8 ttm180 -63.57 -51.0 67.26 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.325 -0.62 . . . . 10.0 109.325 179.288 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 71.0 mt -64.41 -28.54 69.75 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.057 -0.52 . . . . 10.0 110.21 179.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -62.95 -47.72 81.97 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 108.889 -0.782 . . . . 10.0 108.889 178.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -64.21 -37.6 88.05 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 109.207 -0.664 . . . . 10.0 109.207 179.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 536' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' D' ' 532' ' ' ARG . 85.4 mt -69.66 -24.41 63.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.803 -0.635 . . . . 10.0 111.26 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 38.6 mtmt -86.84 -39.96 15.36 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.029 0.443 . . . . 10.0 110.015 178.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -67.21 -56.99 7.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.778 -0.646 . . . . 10.0 109.376 178.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 539' ' ' ASN . . . . . 0.502 ' OD1' ' HE3' ' A' ' 234' ' ' LYS . 74.3 m-20 -71.57 -23.48 61.75 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.699 -0.682 . . . . 10.0 109.612 179.683 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 540' ' ' GLY . . . . . 0.626 ' O ' ' HG ' ' D' ' 544' ' ' LEU . . . -71.49 -43.61 52.89 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 110.021 -1.232 . . . . 10.0 110.021 178.229 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -64.18 -38.58 96.13 Favored Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 109.771 -1.332 . . . . 10.0 109.771 178.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -62.2 -48.26 80.79 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 108.225 -1.028 . . . . 10.0 108.225 177.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 28.3 mtt85 -59.68 -32.7 70.73 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.775 -0.648 . . . . 10.0 111.054 179.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 544' ' ' LEU . . . . . 0.626 ' HG ' ' O ' ' D' ' 540' ' ' GLY . 81.5 mt -64.0 -47.61 79.64 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.159 -0.682 . . . . 10.0 109.159 178.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -65.56 -42.59 91.68 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 115.898 -0.592 . . . . 10.0 109.638 178.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 546' ' ' GLU . . . . . 0.547 ' O ' ' HD2' ' D' ' 550' ' ' LYS . 54.3 mt-10 -61.77 -51.69 67.29 Favored 'General case' 0 C--O 1.22 -0.461 0 CA-C-N 115.78 -0.645 . . . . 10.0 110.361 179.301 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -59.28 -39.1 81.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.36 -0.382 . . . . 10.0 110.753 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 3.5 m170 -67.85 -44.68 76.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.889 0.376 . . . . 10.0 110.3 179.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -66.28 -39.64 89.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.869 -0.605 . . . . 10.0 110.281 179.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 550' ' ' LYS . . . . . 0.547 ' HD2' ' O ' ' D' ' 546' ' ' GLU . 0.0 OUTLIER -70.66 -30.81 67.51 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.044 179.009 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -71.85 -43.93 64.69 Favored 'General case' 0 C--O 1.236 0.368 0 O-C-N 123.281 0.363 . . . . 10.0 110.233 179.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.03 -49.63 73.84 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 109.215 -0.661 . . . . 10.0 109.215 178.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -60.72 -38.47 85.18 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.694 -0.685 . . . . 10.0 110.116 178.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 554' ' ' HIS . . . . . 0.544 ' HB2' ' O ' ' D' ' 550' ' ' LYS . 41.4 t60 -62.37 -42.2 99.22 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.014 -0.539 . . . . 10.0 109.597 178.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 36.0 tp -64.12 -33.81 76.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.922 -0.581 . . . . 10.0 109.86 179.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 9.7 m -62.18 -48.94 77.81 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 109.323 -0.621 . . . . 10.0 109.323 178.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 557' ' ' THR . . . . . 0.598 HG22 ' HD2' ' A' ' 216' ' ' LYS . 0.5 OUTLIER -67.94 -36.27 79.82 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.967 -0.56 . . . . 10.0 110.546 179.358 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 25.7 mt -62.26 -55.38 28.97 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.669 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 12.3 p -65.34 -33.65 76.47 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 120.663 0.268 . . . . 10.0 111.427 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -58.88 -36.18 74.21 Favored 'General case' 0 N--CA 1.46 0.07 0 CA-C-N 115.868 -0.605 . . . . 10.0 110.86 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 10.4 mptt -99.5 -32.35 11.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.099 -0.5 . . . . 10.0 112.317 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -58.64 -48.2 81.85 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.483 0.549 . . . . 10.0 112.483 -179.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -55.81 -59.9 10.21 Favored Pre-proline 0 CA--C 1.534 0.363 0 N-CA-C 112.407 0.521 . . . . 10.0 112.407 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -64.34 -33.92 56.98 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 122.042 1.828 . . . . 10.0 112.326 179.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -65.41 -49.05 70.69 Favored 'General case' 0 CA--C 1.52 -0.178 0 N-CA-C 110.441 -0.207 . . . . 10.0 110.441 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 37.8 mt -62.63 -40.33 96.67 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.759 -0.46 . . . . 10.0 109.759 179.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -63.84 -49.72 71.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.035 178.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.87 -38.66 89.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.657 179.294 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 21.8 mt -65.89 -46.13 79.46 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 116.176 -0.466 . . . . 10.0 110.124 178.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 570' ' ' ARG . . . . . 0.454 ' O ' ' HG ' ' D' ' 574' ' ' LEU . 68.0 mtt180 -63.26 -46.24 87.79 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 110.294 -0.261 . . . . 10.0 110.294 179.029 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -67.68 -19.85 65.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 10.0 111.389 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -89.96 -40.9 5.75 Favored Glycine 0 N--CA 1.446 -0.654 0 N-CA-C 110.492 -1.043 . . . . 10.0 110.492 178.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 573' ' ' LEU . . . . . 0.74 ' HA ' HG12 ' D' ' 576' ' ' VAL . 79.1 mt -68.86 -35.22 76.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.691 -0.255 . . . . 10.0 111.621 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 574' ' ' LEU . . . . . 0.605 ' O ' ' HG2' ' D' ' 578' ' ' GLU . 67.7 mt -50.71 -63.47 1.86 Allowed Pre-proline 0 CA--C 1.536 0.417 0 N-CA-C 111.885 0.328 . . . . 10.0 111.885 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 575' ' ' PRO . . . . . 0.455 ' HD3' ' HB2' ' D' ' 574' ' ' LEU . 55.2 Cg_endo -71.56 -35.51 7.89 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 121.8 1.667 . . . . 10.0 112.46 179.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 576' ' ' VAL . . . . . 0.74 HG12 ' HA ' ' D' ' 573' ' ' LEU . 0.3 OUTLIER -63.16 -39.94 87.13 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.133 0 C-N-CA 120.95 -0.3 . . . . 10.0 111.535 -179.455 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 34.3 mt -70.21 -33.09 71.27 Favored 'General case' 0 CA--C 1.516 -0.336 0 N-CA-C 109.705 -0.48 . . . . 10.0 109.705 178.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 578' ' ' GLU . . . . . 0.605 ' HG2' ' O ' ' D' ' 574' ' ' LEU . 30.7 mm-40 -65.72 -44.51 85.82 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.983 -0.747 . . . . 10.0 108.983 178.016 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 15.5 m -65.43 -39.39 92.04 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 115.511 -0.768 . . . . 10.0 108.974 178.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -62.27 -39.9 94.45 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.073 -0.512 . . . . 10.0 109.861 178.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -59.26 -40.23 85.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.934 -0.576 . . . . 10.0 109.841 178.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 582' ' ' VAL . . . . . 0.401 HG23 ' O ' ' D' ' 578' ' ' GLU . 65.0 t -62.77 -46.58 95.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.376 179.309 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.06 -37.6 86.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.362 -0.381 . . . . 10.0 111.078 179.492 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -68.06 -41.46 81.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.292 -0.413 . . . . 10.0 110.637 179.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 36.8 mt -62.14 -53.66 52.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.819 179.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 3.8 p -58.68 -36.06 73.61 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.009 0.433 . . . . 10.0 110.598 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 587' ' ' ALA . . . . . 0.701 ' HA ' ' HE2' ' A' ' 396' ' ' LYS . . . -66.8 -51.87 50.64 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 116.171 -0.468 . . . . 10.0 110.525 179.25 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 84.8 mt -61.02 -41.46 96.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.421 -0.354 . . . . 10.0 111.061 -179.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -60.62 -48.46 81.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 10.0 111.301 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -73.48 -31.46 63.76 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.704 0.261 . . . . 10.0 111.704 -179.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -61.02 -41.7 97.06 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.29 -0.414 . . . . 10.0 111.057 179.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 592' ' ' THR . . . . . 0.405 HG23 ' H49' ' D' ' 630' ' ' 17F . 0.2 OUTLIER -68.93 -32.73 72.56 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 121.039 -0.264 . . . . 10.0 111.179 -179.705 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -72.69 -41.86 64.87 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.964 0.411 . . . . 10.0 110.422 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 594' ' ' LYS . . . . . 0.419 ' HE2' ' HB2' ' A' ' 388' ' ' SER . 7.9 mptt -72.37 -20.09 61.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.877 179.578 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 97.4 mt -108.98 31.39 5.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.959 -0.564 . . . . 10.0 109.962 179.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 . . . . . 0 C--N 1.326 -0.426 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.837 179.506 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.911 0.386 . . . . 10.0 110.634 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . 0.435 ' HB ' ' CE2' ' B' ' 4' ' ' TYR . 0.0 OUTLIER -71.14 130.34 41.23 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.79 -179.883 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -97.61 134.41 40.86 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.306 -0.406 . . . . 10.0 111.157 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' TYR . . . . . 0.435 ' CE2' ' HB ' ' B' ' 2' ' ' THR . 79.5 m-85 -128.31 118.55 23.44 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.019 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.577 ' HA ' ' HB3' ' B' ' 54' ' ' ASP . 63.2 mttm -88.64 115.72 26.37 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.134 0.493 . . . . 10.0 110.243 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 14.4 mt -112.25 135.14 53.29 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.632 -0.713 . . . . 10.0 110.624 -178.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 57.2 t -118.74 125.14 74.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.282 179.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.459 HG12 ' HD2' ' B' ' 16' ' ' LYS . 6.5 t -92.99 119.4 40.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 109.52 -0.548 . . . . 10.0 109.52 179.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 11.7 m -121.43 154.09 25.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.442 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 153.53 174.72 24.09 Favored Glycine 0 N--CA 1.445 -0.763 0 N-CA-C 111.081 -0.808 . . . . 10.0 111.081 -179.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.44 -172.68 1.22 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.254 0.55 . . . . 10.0 111.766 -179.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -90.89 144.25 25.88 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.682 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . 0.674 ' HA2' H5'1 ' B' ' 201' ' ' GSP . . . 76.18 8.1 85.04 Favored Glycine 0 C--N 1.322 -0.244 0 C-N-CA 120.974 -0.631 . . . . 10.0 113.947 178.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.485 HG12 ' HB2' ' B' ' 83' ' ' ALA . 26.8 m -79.85 -29.75 13.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 117.069 0.435 . . . . 10.0 111.864 -179.611 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . 0.495 ' HA2' ' H8 ' ' B' ' 201' ' ' GSP . . . 111.13 26.91 4.44 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.608 -0.806 . . . . 10.0 113.578 179.101 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.459 ' HD2' HG12 ' B' ' 8' ' ' VAL . 27.1 mtmm -62.96 -47.66 82.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.36 0.6 . . . . 10.0 110.771 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 3.5 m -73.59 -35.34 65.4 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.522 -0.763 . . . . 10.0 111.081 -178.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.82 -45.54 93.39 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.398 179.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 68.8 mt -61.94 -44.71 96.2 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 120.977 0.418 . . . . 10.0 110.879 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 16.8 m -64.84 -49.41 70.7 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.704 -0.68 . . . . 10.0 112.17 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 62.0 mt -58.17 -38.11 66.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-O 120.925 0.393 . . . . 10.0 111.321 -179.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . 0.535 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 11.1 mm-40 -62.62 -31.2 72.01 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.763 0.653 . . . . 10.0 112.763 -179.556 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 38.3 tp -92.17 -32.45 15.1 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.081 0.467 . . . . 10.0 111.611 -179.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.454 HD11 HD12 ' B' ' 55' ' ' ILE . 49.9 mm -81.2 -66.66 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.896 -179.529 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -85.17 -21.18 29.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.309 -0.405 . . . . 10.0 111.863 -177.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . 0.535 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 31.4 m-80 67.0 70.44 0.38 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 113.708 1.003 . . . . 10.0 113.708 178.196 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 4.9 p80 -177.42 155.0 1.05 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.768 178.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -97.29 130.0 44.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.053 0.454 . . . . 10.0 111.345 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 3.3 m -99.93 119.54 48.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.667 -0.697 . . . . 10.0 110.325 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -90.08 -26.02 20.47 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.446 0.641 . . . . 10.0 109.391 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.445 ' HG2' ' H ' ' B' ' 31' ' ' GLU . 0.5 OUTLIER -69.29 130.9 43.89 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.368 -0.833 . . . . 10.0 110.448 -179.765 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . 0.4 ' CE1' H5'2 ' B' ' 201' ' ' GSP . 32.8 t80 -88.07 108.58 19.31 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.944 0.402 . . . . 10.0 110.486 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -122.22 107.96 34.5 Favored Pre-proline 0 C--N 1.319 -0.756 0 CA-C-N 115.816 -0.629 . . . . 10.0 110.071 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo -68.24 86.03 0.42 Allowed 'Trans proline' 0 C--O 1.233 0.253 0 C-N-CA 122.742 2.295 . . . . 10.0 110.902 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.411 ' OG1' ' O3G' ' B' ' 201' ' ' GSP . 10.7 p -68.9 134.6 49.82 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.16 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 50.5 mm -78.61 -57.49 5.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 O-C-N 123.435 0.46 . . . . 10.0 110.334 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -156.51 101.38 2.01 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.062 -0.718 . . . . 10.0 109.062 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.84 122.65 48.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.657 -0.247 . . . . 10.0 111.219 -178.524 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 14.7 p -105.15 144.6 31.71 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.725 0.298 . . . . 10.0 110.851 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -137.65 140.44 40.85 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.461 -0.336 . . . . 10.0 110.267 -179.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.502 ' HD3' ' HA ' ' B' ' 54' ' ' ASP . 0.2 OUTLIER -123.73 125.24 44.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.766 0.317 . . . . 10.0 110.565 -179.878 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 64.4 tttt -145.88 142.46 28.8 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.466 -0.334 . . . . 10.0 110.822 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -105.56 116.19 31.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.374 -0.375 . . . . 10.0 110.664 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 11.8 m -127.47 167.22 22.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.07 -0.514 . . . . 10.0 110.728 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 42.4 t -104.87 106.07 19.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 109.858 -0.423 . . . . 10.0 109.858 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 56.7 mt -112.64 122.82 67.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.717 -179.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . 0.851 ' HB2' HH12 ' B' ' 164' ' ' ARG . 27.4 m-20 63.16 22.53 13.44 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.59 -0.732 . . . . 10.0 111.359 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.2 8.39 68.73 Favored Glycine 0 CA--C 1.52 0.347 0 C-N-CA 120.968 -0.634 . . . . 10.0 112.599 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.403 ' HB3' ' NH2' ' B' ' 164' ' ' ARG . 14.3 tt0 -119.21 130.82 55.68 Favored 'General case' 0 C--N 1.322 -0.595 0 O-C-N 122.839 -0.213 . . . . 10.0 110.686 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 30.0 m -75.4 117.74 17.52 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.649 -0.871 . . . . 10.0 108.649 178.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . 0.403 ' HB3' ' CD2' ' B' ' 4' ' ' TYR . 6.7 m -119.86 144.54 47.32 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.234 0.54 . . . . 10.0 112.456 -178.426 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 58.8 tp -99.42 108.2 20.62 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 107.572 -1.27 . . . . 10.0 107.572 177.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . 0.406 ' O ' ' HA ' ' B' ' 41' ' ' ARG . 36.8 mt -86.72 121.31 29.04 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 113.013 0.746 . . . . 10.0 113.013 -178.3 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . 0.577 ' HB3' ' HA ' ' B' ' 5' ' ' LYS . 15.3 t70 -105.34 89.91 3.26 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 107.277 -1.379 . . . . 10.0 107.277 177.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' ILE . . . . . 0.454 HD12 HD11 ' B' ' 24' ' ' ILE . 13.8 mt -92.37 142.62 12.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 112.159 0.429 . . . . 10.0 112.159 -177.257 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 35.3 tp -133.59 106.84 7.63 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.079 -0.509 . . . . 10.0 110.678 179.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -86.44 106.04 17.18 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.519 -0.548 . . . . 10.0 109.519 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 70.5 p -84.21 174.43 10.21 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.074 -0.512 . . . . 10.0 111.377 -178.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -97.38 134.72 40.27 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.052 0.454 . . . . 10.0 110.463 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -100.34 28.9 13.63 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.489 -0.862 . . . . 10.0 112.829 -179.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -89.12 1.65 55.29 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.424 0.154 . . . . 10.0 111.16 -179.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 68.28 -172.73 0.19 Allowed 'General case' 0 N--CA 1.466 0.351 0 O-C-N 123.818 0.699 . . . . 10.0 111.131 179.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 70.64 23.63 4.6 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 122.961 0.505 . . . . 10.0 111.237 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' TYR . . . . . 0.517 ' O ' ' HB2' ' B' ' 68' ' ' ARG . 58.2 m-85 -115.56 31.9 6.41 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.667 -0.697 . . . . 10.0 111.075 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 31.6 m -54.81 -33.82 61.98 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 112.997 0.74 . . . . 10.0 112.997 -179.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.46 -48.07 8.74 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 121.077 -0.249 . . . . 10.0 111.602 -179.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 11.4 mtp -65.71 -28.66 69.22 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 112.811 0.671 . . . . 10.0 112.811 -178.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . 0.654 ' HB3' HE22 ' B' ' 99' ' ' GLN . 5.9 ttp180 -60.93 -33.25 72.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.066 0.46 . . . . 10.0 111.004 -179.642 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -64.12 -26.99 68.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.309 -0.86 . . . . 10.0 111.763 -179.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -70.49 -65.5 0.72 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.753 0.649 . . . . 10.0 112.753 -179.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' TYR . . . . . 0.642 ' CZ ' ' HA ' ' B' ' 68' ' ' ARG . 20.3 p90 -66.99 -19.5 65.73 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 113.749 1.018 . . . . 10.0 113.749 -178.358 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . 0.426 ' HE3' ' HG2' ' B' ' 68' ' ' ARG . 25.0 mtt -66.51 -29.66 69.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.352 0.596 . . . . 10.0 110.911 179.417 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . 0.721 ' HG3' HG12 ' B' ' 103' ' ' VAL . 16.8 mtm180 -87.1 -32.6 19.84 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.939 0.4 . . . . 10.0 110.975 179.516 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 1.5 m -71.79 -44.51 63.86 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.893 -0.594 . . . . 10.0 112.018 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -75.73 151.84 41.74 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.715 -0.755 . . . . 10.0 113.181 -178.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -105.31 -53.33 2.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.407 0.622 . . . . 10.0 109.583 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -98.0 125.12 8.41 Favored Glycine 0 N--CA 1.447 -0.632 0 CA-C-N 115.584 -0.735 . . . . 10.0 111.866 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . 0.729 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 98.0 m-85 -109.13 114.38 28.05 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.185 0.517 . . . . 10.0 111.308 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.512 ' HB2' HD22 ' B' ' 159' ' ' LEU . 17.8 tp -92.31 106.9 18.81 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.538 -0.755 . . . . 10.0 109.656 179.601 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . 0.764 ' HB3' HD12 ' B' ' 93' ' ' ILE . 52.5 m -85.33 98.46 10.55 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.454 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . 0.42 ' HA ' ' O ' ' B' ' 114' ' ' VAL . 39.7 t -99.26 123.28 51.85 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.158 -179.611 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -126.82 160.69 30.16 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.807 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.676 ' HB3' ' HB3' ' B' ' 86' ' ' ASN . . . -94.71 124.04 38.51 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.816 -0.629 . . . . 10.0 109.526 179.685 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . 0.612 HD13 ' HA ' ' B' ' 118' ' ' CYS . 19.6 pt -66.25 -16.43 20.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.712 0.291 . . . . 10.0 111.688 -179.452 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 18.2 p-10 -101.08 4.93 42.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.177 0.513 . . . . 10.0 110.764 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.676 ' HB3' ' HB3' ' B' ' 83' ' ' ALA . 42.4 t30 -134.54 91.73 2.82 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.959 -0.564 . . . . 10.0 109.88 179.456 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . 0.463 ' O ' ' HG3' ' B' ' 91' ' ' GLU . 0.3 OUTLIER -57.69 -30.05 65.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.833 -0.621 . . . . 10.0 111.913 -178.736 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 24.0 tptp -58.93 -43.63 91.2 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.469 -0.332 . . . . 10.0 111.055 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 90.1 p -66.59 -23.4 66.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.085 0.469 . . . . 10.0 110.743 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -79.64 -37.04 36.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.834 -0.621 . . . . 10.0 109.467 178.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.463 ' HG3' ' O ' ' B' ' 87' ' ' THR . 48.4 mt-10 -70.6 -35.15 72.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.799 -0.637 . . . . 10.0 109.656 179.051 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . 0.489 ' HA ' ' HD2' ' B' ' 95' ' ' HIS . 6.4 m-20 -65.33 -19.51 65.99 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.684 -0.689 . . . . 10.0 111.19 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 93' ' ' ILE . . . . . 0.764 HD12 ' HB3' ' B' ' 80' ' ' CYS . 33.3 mm -60.27 -37.33 73.39 Favored 'Isoleucine or valine' 0 C--O 1.236 0.373 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.119 179.459 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 79.9 t60 -67.65 -43.17 80.91 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 109.609 -0.515 . . . . 10.0 109.609 178.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 95' ' ' HIS . . . . . 0.489 ' HD2' ' HA ' ' B' ' 92' ' ' ASP . 90.2 m-70 -59.93 -45.05 93.84 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.54 -0.754 . . . . 10.0 109.888 179.578 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 96' ' ' TYR . . . . . 0.433 ' O ' HG13 ' B' ' 100' ' ' ILE . 8.1 m-85 -57.6 -50.78 72.01 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.76 -0.655 . . . . 10.0 110.529 179.376 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 55.7 ttt-85 -59.34 -43.21 92.79 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.96 -0.564 . . . . 10.0 111.553 -179.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -60.0 -34.87 73.92 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.012 0.375 . . . . 10.0 112.012 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 99' ' ' GLN . . . . . 0.654 HE22 ' HB3' ' B' ' 68' ' ' ARG . 26.8 tt0 -77.94 -40.78 38.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.556 0.217 . . . . 10.0 110.969 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . 0.433 HG13 ' O ' ' B' ' 96' ' ' TYR . 96.6 mt -55.2 -45.68 77.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 CA-C-O 121.098 0.475 . . . . 10.0 110.759 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . 0.423 ' HE3' ' HB2' ' B' ' 101' ' ' LYS . 38.0 mtmt -63.58 -26.65 68.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.746 -0.661 . . . . 10.0 112.192 -179.613 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 27.8 ttm180 -81.86 -43.16 18.6 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.045 0.45 . . . . 10.0 110.62 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . 0.721 HG12 ' HG3' ' B' ' 73' ' ' ARG . 60.8 t -67.57 -41.69 86.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.005 -0.543 . . . . 10.0 111.791 -179.193 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -92.0 -6.82 50.47 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.741 0.305 . . . . 10.0 111.31 -179.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 27.0 t0 51.65 60.67 3.68 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.752 -0.658 . . . . 10.0 111.581 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 5.9 t -178.48 145.19 0.32 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.465 -0.789 . . . . 10.0 109.626 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -89.79 -21.47 22.61 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.337 -0.616 . . . . 10.0 109.337 179.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.32 88.81 7.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.615 -0.721 . . . . 10.0 110.697 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 65.3 t -132.23 128.81 21.42 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 115.96 -0.564 . . . . 10.0 109.725 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -56.8 104.87 0.15 Allowed 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.861 2.374 . . . . 10.0 111.786 179.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 111' ' ' MET . . . . . 0.729 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 59.4 mtm -135.09 149.3 50.04 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.768 -179.188 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . 0.451 HG13 ' HG2' ' B' ' 140' ' ' PRO . 88.4 t -136.63 135.14 49.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 109.088 -0.708 . . . . 10.0 109.088 179.555 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . 0.433 ' O ' ' HA ' ' B' ' 141' ' ' PHE . 24.8 tp -95.0 123.92 38.75 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.574 -0.528 . . . . 10.0 109.574 179.204 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 114' ' ' VAL . . . . . 0.436 HG22 ' HB ' ' B' ' 142' ' ' ILE . 37.3 t -133.46 131.84 57.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.896 0.379 . . . . 10.0 111.887 -178.707 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -104.25 136.5 13.06 Favored Glycine 0 N--CA 1.449 -0.464 0 N-CA-C 110.038 -1.225 . . . . 10.0 110.038 178.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -108.22 159.93 16.23 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 117.093 0.447 . . . . 10.0 111.458 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . 0.79 ' HB3' HD12 ' B' ' 120' ' ' LEU . 72.4 mttt 64.75 33.63 10.18 Favored 'General case' 0 N--CA 1.466 0.373 0 O-C-N 123.726 0.641 . . . . 10.0 111.379 179.516 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 118' ' ' CYS . . . . . 0.612 ' HA ' HD13 ' B' ' 84' ' ' ILE . 74.4 m -67.56 -11.95 59.24 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.713 0.634 . . . . 10.0 112.713 -179.641 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -86.93 -11.2 51.33 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.765 0.317 . . . . 10.0 110.464 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . 0.79 HD12 ' HB3' ' B' ' 117' ' ' LYS . 81.6 mt -88.51 137.18 30.65 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.006 179.328 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_endo -77.04 173.42 14.47 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 122.92 2.413 . . . . 10.0 113.26 -178.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 46.7 m 66.02 52.68 1.17 Allowed 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.369 -0.832 . . . . 10.0 112.522 179.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 123' ' ' ARG . . . . . 0.501 ' HB3' HD12 ' B' ' 84' ' ' ILE . 13.9 ptp180 -84.4 142.47 30.11 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.434 179.499 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 5.8 p -90.97 -47.11 7.77 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 110.213 -0.292 . . . . 10.0 110.213 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 47.8 t -80.83 110.04 15.89 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 N-CA-C 109.456 -0.572 . . . . 10.0 109.456 179.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -69.51 144.83 53.06 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.828 -0.623 . . . . 10.0 110.199 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.78 -38.48 64.51 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.883 -0.598 . . . . 10.0 112.026 -179.71 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 128' ' ' LYS . . . . . 0.658 ' HG2' ' H ' ' C' ' 47' ' ' ASP . 1.3 mppt? -63.58 -51.8 63.78 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 112.57 0.581 . . . . 10.0 112.57 -178.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -64.09 -34.75 78.74 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.798 0.295 . . . . 10.0 111.798 -179.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.24 -39.2 86.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.206 0.527 . . . . 10.0 109.887 179.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -72.24 -37.77 69.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.78 -0.645 . . . . 10.0 110.825 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -62.72 -43.56 98.48 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.248 -0.433 . . . . 10.0 111.179 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 27.7 tp -61.82 -40.2 94.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.143 0.497 . . . . 10.0 110.206 179.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -67.39 -36.44 81.31 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.726 -0.67 . . . . 10.0 109.745 179.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -63.72 -38.81 92.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.624 -0.716 . . . . 10.0 109.678 178.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 22.0 t -61.96 -35.25 77.88 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.434 -0.803 . . . . 10.0 111.534 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -92.04 -16.2 26.79 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.293 0.479 . . . . 10.0 112.293 -179.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 84.27 32.1 23.68 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.641 -0.79 . . . . 10.0 112.346 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 23.0 pt -118.33 153.47 51.71 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-O 120.684 0.278 . . . . 10.0 110.815 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 140' ' ' PRO . . . . . 0.451 ' HG2' HG13 ' B' ' 112' ' ' VAL . 75.1 Cg_endo -79.09 151.32 23.65 Favored 'Trans proline' 0 N--CA 1.463 -0.32 0 C-N-CA 122.414 2.076 . . . . 10.0 111.83 179.41 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 141' ' ' PHE . . . . . 0.433 ' HA ' ' O ' ' B' ' 113' ' ' LEU . 74.8 t80 -123.58 130.5 52.76 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.101 179.45 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 142' ' ' ILE . . . . . 0.436 ' HB ' HG22 ' B' ' 114' ' ' VAL . 26.1 mt -130.33 132.4 64.93 Favored 'Isoleucine or valine' 0 C--O 1.237 0.416 0 CA-C-N 116.206 -0.452 . . . . 10.0 111.261 -179.261 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -89.35 125.9 35.32 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.943 -0.762 . . . . 10.0 108.943 178.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 60.6 p -132.07 -180.0 5.75 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.798 0.809 . . . . 10.0 112.449 -178.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 8.7 t -162.66 122.41 2.31 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 114.897 -1.047 . . . . 10.0 108.317 179.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 146' ' ' ALA . . . . . 0.628 ' HB3' ' N7 ' ' B' ' 201' ' ' GSP . . . -74.3 -28.39 61.16 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.946 -0.761 . . . . 10.0 108.946 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 147' ' ' LYS . . . . . 0.44 ' HB2' ' N1 ' ' B' ' 201' ' ' GSP . 79.0 tttt -62.0 -46.23 90.13 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.895 -1.048 . . . . 10.0 111.116 179.415 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 4.6 p -98.96 -11.06 21.93 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 112.146 0.424 . . . . 10.0 112.146 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.99 17.48 10.12 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.445 0.698 . . . . 10.0 112.564 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -87.63 137.87 31.96 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.086 -0.506 . . . . 10.0 111.32 -179.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 84.05 -14.88 41.46 Favored Glycine 0 C--N 1.332 0.313 0 CA-C-N 116.006 -0.543 . . . . 10.0 113.659 178.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 20.1 t -63.38 -37.72 80.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.661 0.267 . . . . 10.0 111.575 -178.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -61.26 -48.8 79.76 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 121.113 0.482 . . . . 10.0 110.074 179.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -63.52 -40.11 96.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.599 -0.728 . . . . 10.0 110.915 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -56.92 -50.54 72.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.373 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -69.89 -40.6 75.57 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.086 -0.506 . . . . 10.0 111.975 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 4.5 m-30 -64.89 -44.79 88.46 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.91 0.386 . . . . 10.0 110.716 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 158' ' ' THR . . . . . 0.428 ' O ' ' HG2' ' B' ' 162' ' ' GLU . 58.7 m -65.42 -31.71 72.95 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.076 -0.511 . . . . 10.0 111.301 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 159' ' ' LEU . . . . . 0.512 HD22 ' HB2' ' B' ' 79' ' ' LEU . 29.9 tp -61.59 -40.88 96.37 Favored 'General case' 0 C--N 1.334 -0.094 0 N-CA-C 109.548 -0.538 . . . . 10.0 109.548 178.681 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 79.8 t -74.14 -34.98 39.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.607 -0.724 . . . . 10.0 109.269 178.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -59.74 -42.24 92.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.435 -0.802 . . . . 10.0 110.287 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 162' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' B' ' 158' ' ' THR . 26.7 mm-40 -67.97 -34.68 77.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.781 179.456 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 163' ' ' ILE . . . . . 0.474 HG13 ' O ' ' B' ' 159' ' ' LEU . 78.9 mt -62.06 -46.63 96.04 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 N-CA-C 109.145 -0.687 . . . . 10.0 109.145 178.295 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 164' ' ' ARG . . . . . 0.851 HH12 ' HB2' ' B' ' 47' ' ' ASP . 43.9 mtt180 -62.11 -42.67 99.46 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 115.546 -0.752 . . . . 10.0 109.037 178.533 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -55.27 -49.89 70.92 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.425 -0.807 . . . . 10.0 110.131 178.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 21.5 t-80 -58.49 -50.43 73.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.367 -0.379 . . . . 10.0 110.899 179.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -63.22 -35.74 81.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.374 -0.376 . . . . 10.0 111.828 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -71.56 -43.28 66.65 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 109.121 -0.696 . . . . 10.0 109.121 178.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 169' ' ' LYS . . . . . 0.457 ' HB3' ' HE2' ' B' ' 169' ' ' LYS . 1.0 OUTLIER -62.05 -35.73 79.48 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.543 -0.753 . . . . 10.0 109.678 178.781 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 79.0 mmm -67.42 -23.85 65.59 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.889 -0.596 . . . . 10.0 111.394 179.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 8.9 m -72.61 -27.92 62.45 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.104 -0.702 . . . . 10.0 109.104 179.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 44.2 mtpt -89.2 -30.97 18.15 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.291 -0.868 . . . . 10.0 109.21 179.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 173' ' ' ASP . . . . . . . . . . . . . 21.8 t70 67.4 -76.73 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.26 0 O-C-N 124.298 0.999 . . . . 10.0 112.271 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . 159.36 75.56 0.02 OUTLIER Glycine 0 N--CA 1.443 -0.891 0 N-CA-C 111.46 -0.656 . . . . 10.0 111.46 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 175' ' ' LYS . . . . . . . . . . . . . 32.1 mtmt -65.31 153.78 40.14 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.231 -0.285 . . . . 10.0 110.231 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 176' ' ' LYS . . . . . . . . . . . . . 4.6 mmpp? -86.06 -26.67 25.2 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 112.735 0.642 . . . . 10.0 112.735 -177.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 177' ' ' LYS . . . . . . . . . . . . . 38.3 tttm -76.1 104.55 6.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.21 0.529 . . . . 10.0 111.559 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 52.3 pttt -132.54 18.31 4.33 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.564 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 179' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -93.02 130.96 38.43 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.844 -0.617 . . . . 10.0 110.793 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -65.96 120.65 13.49 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 109.316 -0.624 . . . . 10.0 109.316 179.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -124.56 99.63 6.27 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.05 0.453 . . . . 10.0 111.083 -179.101 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 182' ' ' LYS . . . . . 0.402 ' HD3' ' HA ' ' B' ' 182' ' ' LYS . 27.1 mmtp -134.93 162.63 31.89 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.308 179.598 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -90.13 87.17 6.77 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.232 -0.44 . . . . 10.0 110.569 179.671 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 184' ' ' LYS . . . . . . . . . . . . . 32.8 mmtm . . . . . 0 C--N 1.321 -0.648 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.663 179.92 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 CA--C 1.528 0.131 0 CA-C-O 121.256 0.551 . . . . 10.0 110.65 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 2' ' ' THR . . . . . 0.406 ' HB ' ' CE2' ' C' ' 4' ' ' TYR . 0.0 OUTLIER -111.02 114.43 27.73 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.9 -0.591 . . . . 10.0 109.851 179.736 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . 0.43 ' HA ' ' HB3' ' C' ' 52' ' ' LEU . 4.7 tt0 -82.37 143.21 31.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.409 -0.36 . . . . 10.0 111.331 -179.48 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 4' ' ' TYR . . . . . 0.406 ' CE2' ' HB ' ' C' ' 2' ' ' THR . 96.7 m-85 -138.57 119.21 14.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.087 -0.506 . . . . 10.0 109.687 179.342 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 5' ' ' LYS . . . . . 0.727 ' HA ' ' HB3' ' C' ' 54' ' ' ASP . 52.4 mttm -82.47 113.15 20.02 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.037 0.446 . . . . 10.0 111.473 -179.31 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 14.2 mt -111.51 120.85 43.5 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.758 -0.655 . . . . 10.0 110.314 -179.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 59.9 t -106.82 126.61 62.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.481 -0.327 . . . . 10.0 110.828 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 3.4 t -89.95 121.92 40.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.191 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 28.9 m -125.37 153.56 33.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.642 0.258 . . . . 10.0 110.812 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 159.86 -175.64 36.67 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.769 -0.729 . . . . 10.0 111.886 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -89.34 -167.04 1.75 Allowed 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 110.491 -0.188 . . . . 10.0 110.491 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 12' ' ' ASP . . . . . 0.872 ' HA ' ' S1G' ' C' ' 201' ' ' GSP . 0.0 OUTLIER -93.38 141.28 28.63 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.886 0.374 . . . . 10.0 111.502 -179.749 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 13' ' ' GLY . . . . . 0.453 ' HA2' H5'1 ' C' ' 201' ' ' GSP . . . 79.96 1.9 88.01 Favored Glycine 0 N--CA 1.452 -0.276 0 CA-C-N 115.961 -0.563 . . . . 10.0 113.85 179.198 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 34.5 m -73.46 -32.44 36.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 N-CA-C 112.273 0.472 . . . . 10.0 112.273 -179.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 110.78 36.26 1.9 Allowed Glycine 0 C--N 1.333 0.396 0 C-N-CA 120.645 -0.788 . . . . 10.0 113.696 179.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 9.4 mtmm -64.49 -47.74 77.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.199 0.523 . . . . 10.0 109.93 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 1.6 m -66.99 -45.35 77.86 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.621 -0.718 . . . . 10.0 110.76 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.36 -54.87 30.43 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 112.463 0.542 . . . . 10.0 112.463 -179.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 46.6 mt -58.62 -38.82 78.85 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.099 0.476 . . . . 10.0 111.878 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 13.3 m -71.56 -44.71 64.05 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.071 -0.513 . . . . 10.0 111.399 -179.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.02 -34.36 66.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.908 0.385 . . . . 10.0 111.012 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 22' ' ' GLN . . . . . 0.542 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 4.8 mm-40 -61.78 -32.93 73.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.646 179.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 4.0 tp -86.07 -24.57 26.27 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.195 0.522 . . . . 10.0 111.134 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 49.9 mm -91.87 -66.75 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 112.395 0.517 . . . . 10.0 112.395 -178.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -86.33 -10.83 53.68 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 112.433 0.531 . . . . 10.0 112.433 -178.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 26' ' ' ASN . . . . . 0.542 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 42.4 m-80 64.26 44.3 4.43 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 113.881 1.067 . . . . 10.0 113.881 178.038 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -154.63 154.26 32.69 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.361 0.504 . . . . 10.0 112.361 179.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -87.88 138.56 31.35 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.856 -0.611 . . . . 10.0 110.53 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 19.2 m -89.8 155.77 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.989 0.423 . . . . 10.0 111.026 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -128.94 7.5 5.57 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.411 0.624 . . . . 10.0 109.724 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -129.63 141.96 50.83 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.456 -0.793 . . . . 10.0 109.15 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 32' ' ' TYR . . . . . 0.568 ' CD1' H5'2 ' C' ' 201' ' ' GSP . 25.3 t80 -67.56 128.77 37.68 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.824 -0.35 . . . . 10.0 110.455 -179.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -112.97 95.0 32.41 Favored Pre-proline 0 C--O 1.237 0.44 0 CA-C-N 116.333 -0.394 . . . . 10.0 111.799 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_endo -79.37 78.04 3.86 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.696 2.264 . . . . 10.0 111.258 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.47 116.7 25.76 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.752 -0.658 . . . . 10.0 111.417 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . 0.568 ' HA ' ' HB2' ' C' ' 59' ' ' ALA . 50.7 mm -68.3 -44.84 83.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.17 -0.678 . . . . 10.0 109.17 179.439 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -164.84 104.06 0.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.628 -0.715 . . . . 10.0 110.421 178.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 38' ' ' ASP . . . . . 0.501 ' HB3' ' HB3' ' C' ' 57' ' ' ASP . 14.9 t0 -109.58 157.83 18.64 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.646 -0.706 . . . . 10.0 109.883 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -138.71 131.82 29.82 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.982 0.42 . . . . 10.0 111.749 -179.188 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -132.3 141.44 48.97 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.169 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . 0.462 ' HA ' ' O ' ' C' ' 53' ' ' LEU . 0.0 OUTLIER -127.59 125.68 40.71 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.347 -0.388 . . . . 10.0 110.298 179.381 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 50.5 tttt -144.6 131.16 19.92 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.229 -0.441 . . . . 10.0 110.541 -179.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -100.01 110.35 22.66 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.9 0.381 . . . . 10.0 110.747 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 14.6 m -126.69 160.73 34.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.721 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 45.2 t -91.06 114.36 28.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.504 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 55.7 mt -122.23 121.61 64.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.968 -0.56 . . . . 10.0 109.719 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 47' ' ' ASP . . . . . 0.658 ' H ' ' HG2' ' B' ' 128' ' ' LYS . 23.3 m-20 61.58 26.03 15.82 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.766 -0.652 . . . . 10.0 111.674 179.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.21 -5.46 84.23 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.999 -0.62 . . . . 10.0 111.954 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -103.58 138.58 40.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.796 0.331 . . . . 10.0 110.669 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.43 105.81 15.54 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.388 -0.968 . . . . 10.0 108.388 178.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 3.8 m -110.34 143.98 39.76 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.841 0.682 . . . . 10.0 112.841 -177.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . 0.43 ' HB3' ' HA ' ' C' ' 3' ' ' GLU . 51.7 tp -103.41 110.35 22.33 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.064 -1.088 . . . . 10.0 108.064 178.464 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . 0.462 ' O ' ' HA ' ' C' ' 41' ' ' ARG . 21.5 mt -78.46 111.14 14.18 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 112.489 0.551 . . . . 10.0 112.489 -178.193 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . 0.727 ' HB3' ' HA ' ' C' ' 5' ' ' LYS . 13.1 t70 -96.56 80.0 3.08 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.084 -1.45 . . . . 10.0 107.084 177.385 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 7.3 mt -84.16 131.89 32.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.73 -0.668 . . . . 10.0 112.225 -176.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 24.8 tp -124.49 103.24 8.06 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.092 -0.504 . . . . 10.0 110.348 178.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 57' ' ' ASP . . . . . 0.501 ' HB3' ' HB3' ' C' ' 38' ' ' ASP . 14.1 t70 -86.4 103.72 15.22 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.001 -0.545 . . . . 10.0 109.753 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 68.0 p -87.88 178.57 6.66 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.038 -0.528 . . . . 10.0 111.729 -178.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 59' ' ' ALA . . . . . 0.568 ' HB2' ' HA ' ' C' ' 36' ' ' ILE . . . -78.3 170.89 15.89 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.75 -0.659 . . . . 10.0 110.546 178.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 60' ' ' GLY . . . . . 0.543 ' HA3' ' S1G' ' C' ' 201' ' ' GSP . . . -136.95 18.09 3.58 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.283 -0.961 . . . . 10.0 112.809 -179.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -98.81 9.39 43.53 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.766 0.317 . . . . 10.0 111.34 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 58.56 -157.05 0.32 Allowed 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.609 -0.723 . . . . 10.0 112.224 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 65.29 23.59 12.15 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 121.288 0.566 . . . . 10.0 110.789 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 64' ' ' TYR . . . . . 0.637 ' HB3' ' HB3' ' C' ' 67' ' ' MET . 18.3 m-85 -132.3 41.6 3.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.486 -0.779 . . . . 10.0 111.054 -179.192 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 1.1 m -55.71 -47.53 76.7 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.295 -0.411 . . . . 10.0 111.997 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -74.98 -26.19 59.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.829 0.347 . . . . 10.0 111.786 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 67' ' ' MET . . . . . 0.637 ' HB3' ' HB3' ' C' ' 64' ' ' TYR . 24.6 ttt -75.89 -45.91 32.92 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.25 0.548 . . . . 10.0 110.119 179.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 68' ' ' ARG . . . . . 0.687 ' HA ' ' CZ ' ' C' ' 71' ' ' TYR . 26.0 ttp-105 -65.17 -29.5 70.33 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.323 -0.853 . . . . 10.0 109.99 179.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.29 -14.23 47.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 114.993 -1.003 . . . . 10.0 111.24 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 70' ' ' GLN . . . . . 0.55 ' HA ' ' NH2' ' C' ' 73' ' ' ARG . 25.4 tt0 -85.45 -65.08 1.05 Allowed 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.321 0.489 . . . . 10.0 112.321 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 71' ' ' TYR . . . . . 0.687 ' CZ ' ' HA ' ' C' ' 68' ' ' ARG . 3.5 p90 -63.75 -15.93 59.85 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 113.67 0.989 . . . . 10.0 113.67 -178.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 72' ' ' MET . . . . . 0.496 ' HA ' ' HZ ' ' C' ' 78' ' ' PHE . 25.3 mtt -65.99 -28.4 68.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.236 0.541 . . . . 10.0 110.002 178.451 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 73' ' ' ARG . . . . . 0.55 ' NH2' ' HA ' ' C' ' 70' ' ' GLN . 21.6 mtm180 -81.25 -35.28 31.37 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.905 -0.589 . . . . 10.0 109.969 179.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 1.5 m -74.07 -47.5 36.17 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.09 -0.504 . . . . 10.0 110.889 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.81 137.61 48.43 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.741 -0.663 . . . . 10.0 113.843 -179.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -99.2 -42.0 7.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.263 0.554 . . . . 10.0 109.876 179.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -116.16 137.27 13.55 Favored Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 111.013 -0.835 . . . . 10.0 111.013 179.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 78' ' ' PHE . . . . . 0.773 ' HB2' ' HG2' ' C' ' 111' ' ' MET . 79.0 m-85 -117.11 128.42 55.11 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.886 0.374 . . . . 10.0 111.583 -179.43 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . 0.447 HD13 HD22 ' C' ' 159' ' ' LEU . 12.3 tp -97.73 104.96 17.03 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.135 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 80' ' ' CYS . . . . . 0.43 ' HB3' HD12 ' C' ' 93' ' ' ILE . 70.2 m -81.56 85.5 6.51 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.262 0.553 . . . . 10.0 110.944 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 44.8 t -93.65 130.57 42.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.748 -0.66 . . . . 10.0 110.614 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 82' ' ' PHE . . . . . 0.673 ' HB3' HD11 ' C' ' 93' ' ' ILE . 40.4 p90 -138.68 169.08 18.43 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.391 -0.596 . . . . 10.0 109.391 178.497 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 83' ' ' ALA . . . . . 0.505 ' HB3' ' HB3' ' C' ' 86' ' ' ASN . . . -105.87 126.74 52.53 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.794 -0.447 . . . . 10.0 109.794 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 84' ' ' ILE . . . . . 0.592 HD13 ' HA ' ' C' ' 118' ' ' CYS . 20.6 pt -65.68 -14.95 17.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.895 0.379 . . . . 10.0 111.648 -179.296 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 28.1 p-10 -105.04 12.51 32.13 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.197 0.522 . . . . 10.0 110.369 179.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 86' ' ' ASN . . . . . 0.505 ' HB3' ' HB3' ' C' ' 83' ' ' ALA . 19.8 t-20 -134.02 95.52 3.45 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.055 179.387 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.96 -30.02 68.81 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.026 -0.534 . . . . 10.0 112.375 -179.087 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -62.51 -44.58 96.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.154 -0.476 . . . . 10.0 110.964 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 85.0 p -64.7 -27.93 69.25 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.675 0.25 . . . . 10.0 111.675 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -70.08 -37.55 75.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.971 0.415 . . . . 10.0 110.055 179.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -72.83 -30.36 63.97 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.563 -0.532 . . . . 10.0 109.563 178.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 92' ' ' ASP . . . . . 0.63 ' HA ' ' HD2' ' C' ' 95' ' ' HIS . 1.3 m-20 -64.56 -24.6 67.65 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.395 -0.82 . . . . 10.0 111.111 179.569 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 93' ' ' ILE . . . . . 0.673 HD11 ' HB3' ' C' ' 82' ' ' PHE . 47.2 mm -54.26 -45.01 67.44 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-O 120.994 0.426 . . . . 10.0 110.976 179.489 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -70.17 -40.84 74.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.959 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 95' ' ' HIS . . . . . 0.63 ' HD2' ' HA ' ' C' ' 92' ' ' ASP . 84.2 m-70 -58.22 -46.67 85.48 Favored 'General case' 0 C--O 1.236 0.35 0 O-C-N 123.509 0.506 . . . . 10.0 110.793 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -65.92 -47.93 73.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.978 -0.555 . . . . 10.0 111.312 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 28.5 ttt180 -56.43 -42.29 77.81 Favored 'General case' 0 N--CA 1.462 0.16 0 O-C-N 123.434 0.459 . . . . 10.0 110.883 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -59.91 -44.12 94.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.665 -0.698 . . . . 10.0 111.556 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -67.05 -44.19 80.8 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.918 -0.313 . . . . 10.0 110.436 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 68.8 mt -56.4 -47.08 82.03 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 CA-C-O 121.138 0.494 . . . . 10.0 110.759 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 38.5 mtmt -60.32 -37.58 81.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.545 -0.752 . . . . 10.0 111.843 -179.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 13.8 ttm180 -74.47 -45.72 44.35 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.229 -0.441 . . . . 10.0 110.839 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 103' ' ' VAL . . . . . 0.401 ' CG1' ' HG3' ' C' ' 73' ' ' ARG . 55.7 t -60.97 -50.57 80.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.9 -0.591 . . . . 10.0 112.398 -179.315 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -84.14 -10.69 57.57 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 121.128 -0.229 . . . . 10.0 111.504 -179.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 32.0 t70 54.69 56.3 6.91 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.513 0.673 . . . . 10.0 111.036 -179.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 38.8 t -153.68 139.3 17.86 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.2 -0.909 . . . . 10.0 110.009 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -81.19 -39.68 25.07 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.442 -0.577 . . . . 10.0 109.442 179.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -91.29 109.74 21.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.736 -0.666 . . . . 10.0 110.611 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 109' ' ' VAL . . . . . 0.422 ' HA ' ' HD3' ' C' ' 110' ' ' PRO . 62.1 t -129.67 131.18 23.39 Favored Pre-proline 0 C--N 1.323 -0.556 0 N-CA-C 109.777 -0.453 . . . . 10.0 109.777 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 110' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' C' ' 109' ' ' VAL . 22.7 Cg_exo -65.59 99.38 0.37 Allowed 'Trans proline' 0 C--O 1.236 0.397 0 C-N-CA 122.399 2.066 . . . . 10.0 111.407 179.176 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 111' ' ' MET . . . . . 0.773 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 36.5 mtm -133.41 154.69 50.55 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.574 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 89.7 t -131.9 132.87 61.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.87 -0.605 . . . . 10.0 109.73 179.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 14.6 tp -87.81 117.5 26.69 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.578 -0.527 . . . . 10.0 109.578 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 54.4 t -117.08 120.28 64.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 112.075 0.398 . . . . 10.0 112.075 -178.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -100.07 111.35 4.16 Favored Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 110.097 -1.201 . . . . 10.0 110.097 178.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -93.54 160.83 14.61 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 117.149 0.475 . . . . 10.0 112.029 -178.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 117' ' ' LYS . . . . . 0.749 ' HE2' ' C4 ' ' C' ' 201' ' ' GSP . 87.8 mttt 62.28 39.4 12.48 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.559 -0.746 . . . . 10.0 112.369 178.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 118' ' ' CYS . . . . . 0.592 ' HA ' HD13 ' C' ' 84' ' ' ILE . 97.0 m -70.26 -13.74 62.3 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.725 0.639 . . . . 10.0 112.725 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -88.76 -0.04 56.94 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.089 0.403 . . . . 10.0 112.089 -179.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 35.9 mt -84.96 134.87 40.51 Favored Pre-proline 0 C--N 1.331 -0.206 0 CA-C-N 116.5 -0.318 . . . . 10.0 110.54 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -70.11 150.29 65.89 Favored 'Trans proline' 0 C--O 1.233 0.273 0 C-N-CA 122.581 2.187 . . . . 10.0 112.392 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 15.1 m 62.18 75.81 0.39 Allowed 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.78 -0.645 . . . . 10.0 112.418 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 123' ' ' ARG . . . . . 0.423 ' CB ' HD12 ' C' ' 84' ' ' ILE . 14.2 ptp180 -89.6 153.29 20.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.839 -0.619 . . . . 10.0 110.321 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.32 -25.22 14.31 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.889 0.376 . . . . 10.0 111.323 179.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 61.4 t -105.55 114.61 45.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.395 -0.366 . . . . 10.0 111.033 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -75.87 147.4 39.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.045 -0.525 . . . . 10.0 109.819 179.191 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 127' ' ' THR . . . . . 0.539 HG23 ' HE2' ' C' ' 141' ' ' PHE . 1.9 m -60.27 -40.15 89.33 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.191 0.519 . . . . 10.0 110.287 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 128' ' ' LYS . . . . . 0.674 ' HB3' ' HA ' ' B' ' 47' ' ' ASP . 14.9 mtmt -60.17 -44.89 94.67 Favored 'General case' 0 C--O 1.219 -0.507 0 CA-C-N 115.469 -0.787 . . . . 10.0 110.927 179.531 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -68.69 -34.58 75.91 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.792 0.33 . . . . 10.0 111.072 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.99 -46.74 70.46 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.176 -0.465 . . . . 10.0 109.754 179.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -70.53 -29.3 65.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.713 179.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -61.77 -44.0 97.74 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.09 -0.708 . . . . 10.0 109.09 178.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 15.6 tp -70.61 -44.23 67.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.145 -0.934 . . . . 10.0 110.056 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.29 -38.29 86.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.404 -0.817 . . . . 10.0 111.091 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 135' ' ' ARG . . . . . 0.447 HH11 ' HD2' ' C' ' 135' ' ' ARG . 14.8 ttm105 -58.11 -46.5 85.45 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.14 -0.482 . . . . 10.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 1.6 m -70.96 -25.22 62.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 10.0 112.024 -179.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 14.2 m-30 -88.43 -17.12 31.11 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.013 0.375 . . . . 10.0 112.013 -179.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 84.63 12.39 75.23 Favored Glycine 0 C--N 1.33 0.203 0 C-N-CA 121.04 -0.6 . . . . 10.0 112.714 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 48.1 pt -106.51 153.22 40.69 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-O 120.712 0.292 . . . . 10.0 110.96 -179.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -90.69 139.0 2.64 Favored 'Trans proline' 0 N--CA 1.456 -0.682 0 C-N-CA 122.535 2.157 . . . . 10.0 111.805 179.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 141' ' ' PHE . . . . . 0.539 ' HE2' HG23 ' C' ' 127' ' ' THR . 46.8 t80 -109.17 130.94 55.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.337 -0.392 . . . . 10.0 110.326 179.378 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 48.5 mt -127.67 131.49 69.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.373 -0.376 . . . . 10.0 110.41 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -81.97 125.2 30.5 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 108.934 -0.765 . . . . 10.0 108.934 178.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 144' ' ' THR . . . . . 0.462 HG22 ' HA3' ' C' ' 151' ' ' GLY . 79.8 p -132.34 -179.91 5.72 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.051 0.453 . . . . 10.0 112.045 -178.518 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 9.7 t -166.73 117.11 0.92 Allowed 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.111 -0.95 . . . . 10.0 109.313 178.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 146' ' ' ALA . . . . . 0.417 ' N ' ' O6 ' ' C' ' 201' ' ' GSP . . . -70.65 -22.79 62.46 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.33 -0.618 . . . . 10.0 109.33 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 147' ' ' LYS . . . . . 0.442 ' HB2' ' N1 ' ' C' ' 201' ' ' GSP . 80.4 tttt -69.34 -35.72 76.2 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.159 -0.928 . . . . 10.0 111.37 179.658 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 148' ' ' THR . . . . . 0.416 ' O ' ' HB3' ' C' ' 149' ' ' ARG . 1.1 p -107.16 -7.06 16.96 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 113.109 0.781 . . . . 10.0 113.109 -179.244 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 149' ' ' ARG . . . . . 0.416 ' HB3' ' O ' ' C' ' 148' ' ' THR . 12.6 tpt180 72.35 -4.33 2.06 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 121.593 0.711 . . . . 10.0 111.553 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -70.62 129.84 40.24 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.043 -0.526 . . . . 10.0 111.621 -179.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 151' ' ' GLY . . . . . 0.462 ' HA3' HG22 ' C' ' 144' ' ' THR . . . 83.67 -18.44 19.99 Favored Glycine 0 CA--C 1.517 0.209 0 CA-C-N 115.655 -0.702 . . . . 10.0 114.621 178.235 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 59.8 t -53.19 -52.39 31.01 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 CA-C-N 117.062 0.431 . . . . 10.0 111.633 -179.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -59.09 -47.41 85.36 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.864 -0.607 . . . . 10.0 111.68 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -59.81 -45.6 91.86 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.835 -0.62 . . . . 10.0 111.913 -178.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -57.86 -49.89 75.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.453 -0.339 . . . . 10.0 111.697 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -63.9 -45.01 91.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.416 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -63.86 -41.65 97.72 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.884 -0.598 . . . . 10.0 111.698 -179.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 158' ' ' THR . . . . . 0.493 ' O ' ' HG2' ' C' ' 162' ' ' GLU . 89.8 m -61.2 -40.74 95.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.261 -0.427 . . . . 10.0 111.316 179.74 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 159' ' ' LEU . . . . . 0.447 HD22 HD13 ' C' ' 79' ' ' LEU . 31.7 tp -59.82 -43.83 94.33 Favored 'General case' 0 CA--C 1.521 -0.137 0 CA-C-O 120.905 0.383 . . . . 10.0 111.061 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 72.1 t -63.31 -43.55 98.68 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.362 179.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 161' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' C' ' 161' ' ' ARG . 22.7 ttp180 -64.72 -33.77 76.73 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.486 -0.779 . . . . 10.0 110.923 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 162' ' ' GLU . . . . . 0.493 ' HG2' ' O ' ' C' ' 158' ' ' THR . 56.9 mm-40 -63.79 -41.43 97.92 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.947 0.403 . . . . 10.0 110.19 178.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 163' ' ' ILE . . . . . 0.427 HG13 ' O ' ' C' ' 159' ' ' LEU . 61.4 mt -64.07 -45.69 95.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.93 -0.577 . . . . 10.0 109.503 179.245 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 37.3 ttm180 -63.49 -37.44 87.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.915 -0.584 . . . . 10.0 109.706 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -61.63 -51.24 69.3 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.6 -0.727 . . . . 10.0 109.863 179.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 166' ' ' HIS . . . . . 0.489 ' O ' ' HB2' ' C' ' 170' ' ' MET . 38.2 t-80 -60.38 -49.0 79.34 Favored 'General case' 0 C--O 1.223 -0.32 0 CA-C-N 116.158 -0.473 . . . . 10.0 111.298 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.59 -39.25 90.53 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.388 0.514 . . . . 10.0 112.388 -179.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -72.31 -51.15 22.01 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.98 0.419 . . . . 10.0 110.522 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 169' ' ' LYS . . . . . 0.442 ' HB3' ' HE2' ' C' ' 169' ' ' LYS . 41.8 mtpt -66.05 -22.78 66.45 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.051 -0.522 . . . . 10.0 111.784 -179.364 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 170' ' ' MET . . . . . 0.489 ' HB2' ' O ' ' C' ' 166' ' ' HIS . 0.0 OUTLIER -65.48 -31.38 72.43 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.721 -0.474 . . . . 10.0 109.721 178.84 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 6.0 m -73.23 -9.9 59.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.578 -0.737 . . . . 10.0 110.887 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 49.0 mtpt -105.65 -10.15 16.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.572 -0.74 . . . . 10.0 109.976 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 173' ' ' ASP . . . . . . . . . . . . . 28.2 t70 70.77 -58.28 0.57 Allowed 'General case' 0 N--CA 1.467 0.425 0 O-C-N 124.096 0.872 . . . . 10.0 112.501 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . 149.85 -28.36 1.15 Allowed Glycine 0 N--CA 1.446 -0.671 0 N-CA-C 110.178 -1.169 . . . . 10.0 110.178 -179.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 175' ' ' LYS . . . . . 0.45 ' HZ1' ' C3 ' ' C' ' 214' ' ' 17F . 0.6 OUTLIER -156.48 -71.31 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 108.521 -0.918 . . . . 10.0 108.521 179.402 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 176' ' ' LYS . . . . . 0.452 ' HB3' ' H ' ' C' ' 177' ' ' LYS . 34.6 tttp 44.66 -110.36 0.2 Allowed 'General case' 0 C--O 1.237 0.414 0 CA-C-N 115.572 -0.74 . . . . 10.0 112.994 179.212 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 177' ' ' LYS . . . . . 0.597 ' HG3' ' C4 ' ' C' ' 205' ' ' PCW . 29.3 ttmt -131.31 28.15 4.72 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.976 -0.556 . . . . 10.0 109.959 -179.324 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 178' ' ' LYS . . . . . . . . . . . . . 22.8 mmtp 66.13 177.28 0.22 Allowed 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 115.528 -0.76 . . . . 10.0 111.924 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 179' ' ' LYS . . . . . 0.454 ' HD3' ' HA ' ' C' ' 179' ' ' LYS . 13.1 mmtt -89.85 -59.44 2.2 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.029 0.381 . . . . 10.0 112.029 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 180' ' ' LYS . . . . . . . . . . . . . 46.4 pttt -127.13 139.72 52.77 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.66 -0.416 . . . . 10.0 111.719 179.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 11.3 m -136.7 -19.55 1.36 Allowed 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.055 -0.52 . . . . 10.0 112.277 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 182' ' ' LYS . . . . . . . . . . . . . 63.6 mmtt -78.64 120.22 23.0 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 120.628 0.251 . . . . 10.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -109.23 -42.2 4.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.104 0.478 . . . . 10.0 110.033 179.693 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 184' ' ' LYS . . . . . 0.405 ' HE3' ' O4 ' ' C' ' 213' ' ' 17F . 0.1 OUTLIER . . . . . 0 C--N 1.327 -0.403 0 CA-C-N 115.647 -0.706 . . . . 10.0 110.911 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 401' ' ' PCW . . . . . 0.996 H252 H281 ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 402' ' ' PCW . . . . . 1.04 ' O31' H352 ' A' ' 402' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 403' ' ' PCW . . . . . 1.112 H472 H281 ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 404' ' ' PCW . . . . . 1.112 H281 H472 ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 405' ' ' PCW . . . . . 1.029 H242 H262 ' A' ' 418' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 406' ' ' PCW . . . . . 1.173 H351 ' C8 ' ' B' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 407' ' ' PCW . . . . . 1.084 H212 ' C17' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 408' ' ' PCW . . . . . 1.066 H152 H232 ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 409' ' ' PCW . . . . . 1.234 ' C19' H142 ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 410' ' ' PCW . . . . . 1.048 H371 ' H63' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 411' ' ' PCW . . . . . 1.066 H232 H152 ' A' ' 408' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 412' ' ' PCW . . . . . 0.891 H271 HG21 ' A' ' 250' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 413' ' ' PCW . . . . . 1.015 H162 ' C35' ' A' ' 408' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 414' ' ' PCW . . . . . 1.054 H372 ' H69' ' A' ' 415' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 415' ' ' 17F . . . . . 1.122 ' H49' H231 ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 416' ' ' 17F . . . . . 0.963 ' H56' H151 ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 417' ' ' PCW . . . . . 0.922 H141 H341 ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 418' ' ' PCW . . . . . 1.08 H422 ' C23' ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 419' ' ' PCW . . . . . 0.903 H271 H272 ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 420' ' ' PCW . . . . . 1.078 H372 H431 ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 421' ' ' PCW . . . . . 0.999 H162 ' H57' ' D' ' 630' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 422' ' ' 17F . . . . . 1.069 ' H39' ' H67' ' C' ' 219' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 601' ' ' PCW . . . . . 0.957 H421 ' C46' ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 602' ' ' PCW . . . . . 1.027 H142 H381 ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 603' ' ' PCW . . . . . 1.016 ' H41' ' H2 ' ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 604' ' ' PCW . . . . . 1.036 ' C8 ' ' H4A' ' C' ' 219' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 605' ' ' PCW . . . . . 1.033 H421 H141 ' D' ' 620' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 606' ' ' PCW . . . . . 1.079 H252 ' H38' ' C' ' 218' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 607' ' ' PCW . . . . . 0.784 ' C3 ' H372 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 608' ' ' PCW . . . . . 0.997 H461 ' H61' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 609' ' ' PCW . . . . . 1.075 ' H2 ' ' H61' ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 610' ' ' PCW . . . . . 1.013 ' H63' ' O1 ' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 611' ' ' PCW . . . . . 1.029 H211 H432 ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 612' ' ' PCW . . . . . 1.099 ' H2 ' ' H63' ' D' ' 620' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 613' ' ' PCW . . . . . 1.08 ' C23' H422 ' A' ' 418' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 614' ' ' PCW . . . . . 0.95 H482 H211 ' D' ' 620' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 615' ' ' PCW . . . . . 0.999 H461 H421 ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 616' ' ' PCW . . . . . 1.075 ' H61' ' H2 ' ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 617' ' ' PCW . . . . . 1.072 ' C34' H341 ' C' ' 216' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 618' ' ' PCW . . . . . 1.078 H431 H372 ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 619' ' ' PCW . . . . . 1.038 H351 H342 ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 620' ' ' PCW . . . . . 1.099 ' H63' ' H2 ' ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 621' ' ' PCW . . . . . 0.991 H121 ' H4A' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 622' ' ' PCW . . . . . 1.023 H421 ' H62' ' A' ' 422' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 623' ' ' PCW . . . . . 1.061 H421 H261 ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 624' ' ' PCW . . . . . 1.045 H282 H272 ' C' ' 217' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 625' ' ' PCW . . . . . 1.061 H261 H421 ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 626' ' ' PCW . . . . . 0.979 H231 ' C27' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 627' ' ' PCW . . . . . 1.123 ' H20' ' C35' ' C' ' 217' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 628' ' ' 17F . . . . . 1.026 ' H57' H19A ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 629' ' ' 17F . . . . . 0.962 ' H74' ' H36' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 630' ' ' 17F . . . . . 0.999 ' H57' H162 ' A' ' 421' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 631' ' ' 17F . . . . . 1.029 ' H55' H451 ' D' ' 619' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 632' ' ' 17F . . . . . 1.044 ' H53' H161 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 201' ' ' GSP . . . . . 0.686 ' C6 ' ' HG2' ' B' ' 117' ' ' LYS . . . . . . . . 0 O4'--C1' 1.437 1.951 1 O4'-C1'-N19 112.445 4.245 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 202' ' ' ' MG' . . . . . 0.639 'MG ' ' O3G' ' B' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 203' ' ' PCW . . . . . 1.045 H451 H232 ' C' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 204' ' ' PCW . . . . . 1.002 H451 ' H20' ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 205' ' ' PCW . . . . . 1.061 H251 H211 ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 206' ' ' PCW . . . . . 1.082 H241 H171 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 207' ' ' PCW . . . . . 1.04 H442 ' H55' ' B' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 208' ' ' PCW . . . . . 1.122 H231 ' H49' ' A' ' 415' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 209' ' ' 17F . . . . . 1.116 ' H57' H19A ' B' ' 209' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 210' ' ' 17F . . . . . 1.04 ' H55' H442 ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 211' ' ' 17F . . . . . 1.173 ' C8 ' H351 ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 201' ' ' GSP . . . . . 0.872 ' S1G' ' HA ' ' C' ' 12' ' ' ASP . . . . . . . . 0 O4'--C1' 1.437 1.882 2 O4'-C1'-N19 113.602 5.402 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 203' ' ' PCW . . . . . 1.054 H132 H171 ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 204' ' ' PCW . . . . . 1.114 H232 ' H20' ' C' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 205' ' ' PCW . . . . . 1.117 H421 H252 ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 206' ' ' PCW . . . . . 1.071 H251 H211 ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 207' ' ' PCW . . . . . 1.025 H372 H421 ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 208' ' ' PCW . . . . . 1.047 H362 H171 ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 209' ' ' PCW . . . . . 1.045 ' O4P' ' H32' ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 210' ' ' PCW . . . . . 1.114 ' H20' H232 ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 211' ' ' PCW . . . . . 1.084 ' P ' ' H62' ' C' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 212' ' ' PCW . . . . . 1.117 H252 H421 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 213' ' ' 17F . . . . . 1.106 ' H9 ' H352 ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 214' ' ' 17F . . . . . 0.948 ' H55' H232 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 215' ' ' 17F . . . . . 0.895 ' H55' H482 ' B' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 216' ' ' PCW . . . . . 1.075 H442 H341 ' C' ' 217' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 217' ' ' PCW . . . . . 1.123 ' C35' ' H20' ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 218' ' ' 17F . . . . . 1.079 ' H38' H252 ' D' ' 606' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 219' ' ' 17F . . . . . 1.069 ' H67' ' H39' ' A' ' 422' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 30.8 mt . . . . . 0 CA--C 1.517 -0.298 0 CA-C-O 120.765 0.316 . . . . 10.0 110.644 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -58.53 -47.66 83.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.858 -0.61 . . . . 10.0 112.158 -179.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 89.0 mt -58.18 -46.97 84.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.573 -0.285 . . . . 10.0 111.568 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 75.5 mt -64.97 -43.06 93.9 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.985 0.421 . . . . 10.0 111.282 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -68.34 -43.48 77.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 10.0 111.071 -179.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -68.36 -36.16 78.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.846 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 62.2 t90 -63.95 -35.83 81.97 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.153 0.501 . . . . 10.0 110.033 178.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -59.38 -37.06 76.99 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.84 -0.618 . . . . 10.0 110.615 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 8.4 m -64.8 -37.66 88.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.011 -0.541 . . . . 10.0 110.165 178.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 9.8 t -71.81 -34.16 50.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 108.811 -0.811 . . . . 10.0 108.811 178.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 23.5 m -64.89 -47.25 78.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.54 -0.755 . . . . 10.0 111.093 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.21 -41.5 99.16 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.701 -0.481 . . . . 10.0 109.701 179.239 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 213' ' ' THR . . . . . 0.511 ' O ' ' HG ' ' A' ' 217' ' ' LEU . 40.7 m -61.67 -47.88 83.34 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.935 -0.575 . . . . 10.0 109.748 178.674 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -56.1 -43.52 78.15 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 121.103 0.478 . . . . 10.0 110.334 179.142 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 17.3 m -60.11 -49.53 77.28 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.537 -0.756 . . . . 10.0 110.765 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 31.3 mttt -68.8 -34.05 74.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.748 0.308 . . . . 10.0 111.172 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 217' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 213' ' ' THR . 50.0 mt -61.93 -42.85 99.57 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.637 -0.505 . . . . 10.0 109.637 178.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 218' ' ' ARG . . . . . 0.433 ' HA ' ' HB2' ' A' ' 221' ' ' LEU . 64.0 mtt180 -69.39 -32.83 72.1 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.231 179.039 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -64.41 -39.85 94.63 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.668 -0.494 . . . . 10.0 109.668 178.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 220' ' ' GLN . . . . . 0.4 ' O ' HG23 ' A' ' 224' ' ' VAL . 8.0 tp-100 -77.38 -30.22 53.59 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.679 -0.691 . . . . 10.0 110.216 178.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 221' ' ' LEU . . . . . 0.433 ' HB2' ' HA ' ' A' ' 218' ' ' ARG . 4.4 mt -58.16 -31.36 67.16 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.842 -0.617 . . . . 10.0 111.228 179.488 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -57.49 -68.37 1.73 Allowed Glycine 0 CA--C 1.52 0.345 0 N-CA-C 110.523 -1.031 . . . . 10.0 110.523 178.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 223' ' ' PRO . . . . . 0.424 ' O ' ' HG3' ' A' ' 227' ' ' GLU . 71.3 Cg_exo -53.97 -36.9 85.46 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.758 2.306 . . . . 10.0 111.046 177.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 224' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 220' ' ' GLN . 26.8 t -58.15 -51.66 68.27 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.093 0 CA-C-N 116.486 -0.324 . . . . 10.0 110.602 179.455 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 2.8 p -68.73 -29.94 68.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.013 0.435 . . . . 10.0 110.81 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -66.21 -51.54 56.7 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.272 -0.422 . . . . 10.0 110.777 178.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 227' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' A' ' 223' ' ' PRO . 48.4 mt-10 -67.7 -40.05 84.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.164 179.463 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -61.12 -44.94 96.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.304 179.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -65.63 -38.13 88.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.552 179.516 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -63.74 -45.06 91.56 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.774 -0.648 . . . . 10.0 110.038 179.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 231' ' ' ASN . . . . . 0.745 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 72.5 m-20 -69.91 -35.93 74.97 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.437 179.075 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 15.8 mt -64.9 -38.99 92.82 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.956 -0.757 . . . . 10.0 108.956 177.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 233' ' ' GLU . . . . . 0.442 ' HA ' ' OG1' ' A' ' 236' ' ' THR . 3.0 mm-40 -63.43 -32.71 74.23 Favored 'General case' 0 C--O 1.225 -0.197 0 CA-C-N 115.753 -0.658 . . . . 10.0 110.39 178.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 234' ' ' LYS . . . . . 0.745 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 47.2 mttt -68.16 -41.41 81.57 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 108.575 -0.898 . . . . 10.0 108.575 178.271 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.75 -48.12 70.13 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.489 -0.778 . . . . 10.0 110.47 179.189 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 236' ' ' THR . . . . . 0.442 ' OG1' ' HA ' ' A' ' 233' ' ' GLU . 15.9 p -64.12 -40.92 97.22 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.362 179.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -59.67 -46.05 90.22 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.452 -0.574 . . . . 10.0 109.452 178.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -60.21 -48.04 88.07 Favored Glycine 0 N--CA 1.443 -0.872 0 N-CA-C 109.712 -1.355 . . . . 10.0 109.712 178.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 88.6 mt -60.82 -31.2 70.61 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.543 0.211 . . . . 10.0 111.164 179.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 49.6 mtt180 -67.64 -42.39 82.36 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.564 -0.532 . . . . 10.0 109.564 178.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -71.39 -39.69 71.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.619 0.723 . . . . 10.0 109.149 178.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -66.72 -32.87 74.45 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.163 -0.926 . . . . 10.0 110.357 179.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 48.4 ttm -59.82 -32.71 70.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.947 0.404 . . . . 10.0 110.419 179.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 1.5 m -71.95 3.93 3.88 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 115.567 -0.742 . . . . 10.0 110.924 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -131.79 -54.42 1.0 Allowed 'General case' 0 C--O 1.222 -0.357 0 N-CA-C 109.273 -0.64 . . . . 10.0 109.273 178.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 246' ' ' ASP . . . . . 0.706 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 0.7 OUTLIER -55.67 -47.61 76.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 10.0 111.51 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 247' ' ' LEU . . . . . 0.454 ' O ' HG12 ' A' ' 250' ' ' VAL . 16.8 mt -89.13 -43.12 11.27 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.504 179.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -60.7 -49.81 76.02 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.705 0.631 . . . . 10.0 112.705 -179.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -70.43 -28.61 65.17 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 120.917 0.389 . . . . 10.0 110.947 -179.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 250' ' ' VAL . . . . . 0.7 HG21 H271 ' A' ' 412' ' ' PCW . 0.3 OUTLIER -75.44 -30.53 22.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 O-C-N 122.012 -0.43 . . . . 10.0 110.331 178.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . 0.586 ' O ' HG12 ' A' ' 254' ' ' VAL . 39.6 tttt -80.58 -40.31 26.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.73 -0.668 . . . . 10.0 109.828 179.341 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -68.87 -34.46 75.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.504 -0.316 . . . . 10.0 110.322 179.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -89.65 -15.77 31.93 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.284 -0.416 . . . . 10.0 112.026 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 254' ' ' VAL . . . . . 0.633 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 2.3 p -65.12 -27.72 42.93 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 C-N-CA 120.611 -0.436 . . . . 10.0 110.209 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 255' ' ' GLN . . . . . 0.49 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 45.8 mt-30 -63.93 -61.25 7.19 Favored Pre-proline 0 CA--C 1.536 0.415 0 CA-C-N 115.862 -0.608 . . . . 10.0 111.2 179.457 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 256' ' ' PRO . . . . . 0.49 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 29.5 Cg_endo -65.67 -29.42 51.69 Favored 'Trans proline' 0 C--N 1.354 0.865 0 C-N-CA 121.865 1.71 . . . . 10.0 112.062 178.333 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 6.7 m-30 -68.9 -50.69 47.45 Favored 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 109.849 -0.426 . . . . 10.0 109.849 179.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 258' ' ' LEU . . . . . 0.55 ' HB2' ' O ' ' A' ' 254' ' ' VAL . 0.6 OUTLIER -62.51 -42.01 99.22 Favored 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 109.268 -0.642 . . . . 10.0 109.268 179.363 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 259' ' ' ASP . . . . . 0.439 ' O ' ' HB2' ' A' ' 263' ' ' LYS . 31.7 t70 -58.67 -37.53 76.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.435 179.427 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -66.22 -54.06 29.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.32 179.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -62.05 -45.74 92.2 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 115.604 -0.725 . . . . 10.0 111.04 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -63.59 -41.49 98.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.092 -0.504 . . . . 10.0 111.513 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 263' ' ' LYS . . . . . 0.496 ' HB2' ' HE3' ' A' ' 263' ' ' LYS . 20.7 ttmt -59.31 -50.07 75.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.09 0.471 . . . . 10.0 110.039 179.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 264' ' ' LYS . . . . . 0.428 ' NZ ' ' HB2' ' D' ' 513' ' ' ALA . 76.7 mttt -66.75 -35.4 80.02 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.612 -0.722 . . . . 10.0 109.876 178.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 5.1 m95 -64.23 -36.03 82.75 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 109.646 -0.501 . . . . 10.0 109.646 178.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 266' ' ' GLN . . . . . 0.445 ' O ' ' HG3' ' A' ' 270' ' ' GLU . 54.5 mt-30 -62.48 -49.03 77.0 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 108.801 -0.814 . . . . 10.0 108.801 178.089 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -60.37 -45.17 94.47 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 109.089 -0.708 . . . . 10.0 109.089 178.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -57.73 -48.55 79.28 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.966 -0.561 . . . . 10.0 111.213 179.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 94.5 mmm -64.78 -47.81 76.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.685 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 270' ' ' GLU . . . . . 0.445 ' HG3' ' O ' ' A' ' 266' ' ' GLN . 33.7 mt-10 -62.84 -42.84 99.9 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.67 -0.241 . . . . 10.0 111.257 -179.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 44.6 mt -62.72 -41.89 99.39 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 109.409 -0.589 . . . . 10.0 109.409 178.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 272' ' ' TYR . . . . . 0.48 ' O ' HG23 ' A' ' 276' ' ' VAL . 0.2 OUTLIER -63.59 -44.76 93.09 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 115.612 -0.722 . . . . 10.0 109.468 178.695 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 273' ' ' ARG . . . . . 0.46 ' O ' ' HG3' ' A' ' 277' ' ' GLU . 94.7 mtt180 -61.47 -44.58 96.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.38 179.19 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -67.3 -18.63 65.26 Favored 'General case' 0 CA--C 1.523 -0.088 0 CA-C-N 115.837 -0.62 . . . . 10.0 111.255 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 275' ' ' LYS . . . . . 0.695 ' HG2' HD21 ' D' ' 499' ' ' LEU . 10.6 mptt -93.85 -38.91 10.99 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.494 -0.321 . . . . 10.0 110.554 178.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 276' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 272' ' ' TYR . 25.5 t -53.68 -40.04 41.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.314 -0.403 . . . . 10.0 110.828 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 277' ' ' GLU . . . . . 0.53 ' HB2' ' HD3' ' A' ' 278' ' ' PRO . 17.8 mt-10 -57.98 -64.97 2.14 Favored Pre-proline 0 CA--C 1.542 0.653 0 N-CA-C 112.127 0.417 . . . . 10.0 112.127 -179.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 278' ' ' PRO . . . . . 0.53 ' HD3' ' HB2' ' A' ' 277' ' ' GLU . 20.7 Cg_endo -62.34 -36.99 64.17 Favored 'Trans proline' 0 C--N 1.358 1.031 0 C-N-CA 122.048 1.832 . . . . 10.0 112.404 179.495 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 279' ' ' LEU . . . . . 0.715 HD22 ' HE3' ' D' ' 495' ' ' LYS . 29.3 mt -65.0 -36.79 85.55 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.697 0.284 . . . . 10.0 110.561 179.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 28.5 ttm180 -64.73 -39.26 93.34 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 109.356 -0.609 . . . . 10.0 109.356 178.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -59.75 -48.16 82.78 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.908 -0.587 . . . . 10.0 109.508 178.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 282' ' ' GLU . . . . . 0.43 ' HG3' ' O ' ' A' ' 278' ' ' PRO . 71.3 mt-10 -61.52 -46.68 88.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.272 179.247 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 30.0 mt -63.5 -40.4 96.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.953 -0.567 . . . . 10.0 111.154 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -67.99 -51.29 48.86 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.079 -0.509 . . . . 10.0 110.874 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -61.06 -40.5 93.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.925 0.393 . . . . 10.0 110.382 179.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -66.32 -46.54 77.91 Favored Glycine 0 N--CA 1.441 -0.967 0 N-CA-C 110.728 -0.949 . . . . 10.0 110.728 178.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -61.91 -38.95 90.28 Favored 'General case' 0 C--O 1.222 -0.375 0 N-CA-C 110.501 -0.185 . . . . 10.0 110.501 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 88.5 mtt180 -54.4 -51.42 64.93 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 116.315 -0.402 . . . . 10.0 110.547 179.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -70.73 -46.73 62.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.988 -0.551 . . . . 10.0 111.421 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -58.57 -48.01 82.33 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.751 0.31 . . . . 10.0 111.531 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 291' ' ' LEU . . . . . 0.465 ' O ' ' HG3' ' A' ' 295' ' ' GLN . 94.3 mt -66.0 -38.58 88.84 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.492 -0.322 . . . . 10.0 110.841 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -68.54 -36.85 79.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.83 0.348 . . . . 10.0 110.575 179.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -65.76 -37.12 85.46 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.967 -0.753 . . . . 10.0 108.967 178.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 72.3 mt -67.46 -37.55 83.1 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.802 -0.635 . . . . 10.0 109.639 178.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 295' ' ' GLN . . . . . 0.465 ' HG3' ' O ' ' A' ' 291' ' ' LEU . 59.6 mt-30 -68.18 -30.14 69.17 Favored 'General case' 0 CA--C 1.521 -0.16 0 N-CA-C 109.483 -0.562 . . . . 10.0 109.483 178.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -65.71 -15.45 62.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.688 -0.687 . . . . 10.0 110.954 178.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . 0.52 ' HB3' HD12 ' A' ' 301' ' ' LEU . 17.9 mmtp -111.91 -27.54 8.41 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.147 179.284 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 298' ' ' LEU . . . . . 0.423 ' O ' ' HA3' ' A' ' 302' ' ' GLY . 12.4 mt -69.69 -34.25 73.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.212 -0.449 . . . . 10.0 112.116 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 299' ' ' SER . . . . . 0.5 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 8.8 m -76.33 -66.34 0.37 Allowed Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 113.162 0.801 . . . . 10.0 113.162 -179.277 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 300' ' ' PRO . . . . . 0.5 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 33.2 Cg_endo -63.48 -57.07 0.41 Allowed 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 121.736 1.624 . . . . 10.0 112.803 -179.198 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 301' ' ' LEU . . . . . 0.554 HD13 ' HG2' ' D' ' 473' ' ' LYS . 68.4 mt -64.42 -26.36 68.42 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-O 120.548 0.213 . . . . 10.0 110.506 -179.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 302' ' ' GLY . . . . . 0.423 ' HA3' ' O ' ' A' ' 298' ' ' LEU . . . -70.6 -50.72 24.1 Favored Glycine 0 N--CA 1.449 -0.461 0 N-CA-C 110.851 -0.899 . . . . 10.0 110.851 178.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -62.05 -41.35 98.05 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 121.302 0.572 . . . . 10.0 109.803 178.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.95 -38.96 92.98 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.216 -0.902 . . . . 10.0 109.634 178.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 11.0 tpt -62.94 -39.95 96.17 Favored 'General case' 0 CA--C 1.518 -0.273 0 N-CA-C 109.329 -0.619 . . . . 10.0 109.329 178.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 306' ' ' ARG . . . . . 0.477 ' O ' ' HG3' ' A' ' 310' ' ' ARG . 62.7 mtt180 -67.46 -38.21 84.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.658 -0.701 . . . . 10.0 110.092 178.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 307' ' ' ASP . . . . . 0.894 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 22.7 t70 -67.58 -39.66 84.87 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 109.46 -0.571 . . . . 10.0 109.46 178.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -67.51 -34.47 77.18 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 108.612 -0.885 . . . . 10.0 108.612 177.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -66.09 -37.98 87.1 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 108.955 -0.757 . . . . 10.0 108.955 178.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 310' ' ' ARG . . . . . 0.894 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 92.7 mtt180 -59.53 -45.96 90.26 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 108.209 -1.034 . . . . 10.0 108.209 177.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -64.88 -42.03 95.15 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.626 -0.715 . . . . 10.0 110.017 178.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -56.24 -51.9 66.41 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.139 179.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 59.2 t -70.12 -39.48 77.14 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-N 115.576 -0.738 . . . . 10.0 111.878 -179.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -62.18 -42.41 99.25 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 109.8 -0.444 . . . . 10.0 109.8 179.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -64.93 -33.82 76.93 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.895 -0.593 . . . . 10.0 109.632 178.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 33.3 mt -70.21 -42.55 72.19 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.432 178.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 33.3 ttm105 -63.16 -41.35 99.23 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.967 -0.561 . . . . 10.0 111.412 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -66.23 -21.05 66.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.045 0.45 . . . . 10.0 111.224 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 49.9 m80 -98.45 -41.51 7.76 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.22 -0.445 . . . . 10.0 110.812 179.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . 0.514 ' HA ' ' HB2' ' A' ' 323' ' ' TYR . 77.0 mt -66.92 -26.54 66.91 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.284 0.475 . . . . 10.0 112.284 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -60.62 -60.75 9.64 Favored Pre-proline 0 CA--C 1.532 0.269 0 C-N-CA 120.945 -0.302 . . . . 10.0 110.877 178.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -66.71 -28.51 43.98 Favored 'Trans proline' 0 C--N 1.356 0.942 0 C-N-CA 121.512 1.475 . . . . 10.0 110.737 178.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 323' ' ' TYR . . . . . 0.514 ' HB2' ' HA ' ' A' ' 320' ' ' LEU . 3.7 m-30 -63.08 -51.46 66.57 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 116.253 -0.431 . . . . 10.0 109.849 178.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 324' ' ' SER . . . . . 0.49 ' HA ' ' HB2' ' A' ' 327' ' ' LEU . 17.5 p -67.53 -33.58 75.35 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 110.01 -0.367 . . . . 10.0 110.01 179.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 325' ' ' ASP . . . . . 0.534 ' HA ' ' HD2' ' A' ' 328' ' ' ARG . 26.5 t0 -61.26 -47.12 87.47 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 115.841 -0.618 . . . . 10.0 109.393 178.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -74.55 -24.15 58.89 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.702 -0.681 . . . . 10.0 110.666 178.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . 0.49 ' HB2' ' HA ' ' A' ' 324' ' ' SER . 19.4 mt -67.98 -30.37 69.63 Favored 'General case' 0 CA--C 1.52 -0.178 0 N-CA-C 108.887 -0.783 . . . . 10.0 108.887 177.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 328' ' ' ARG . . . . . 0.534 ' HD2' ' HA ' ' A' ' 325' ' ' ASP . 78.9 mtt180 -63.22 -45.74 90.21 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 107.992 -1.114 . . . . 10.0 107.992 177.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -63.73 -44.13 94.45 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 114.998 -1.001 . . . . 10.0 109.288 178.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 27.4 mtt-85 -57.31 -49.01 77.45 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.652 -0.704 . . . . 10.0 110.102 178.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 6.1 mt -60.17 -47.92 83.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.74 179.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -59.66 -46.68 88.32 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.239 -0.437 . . . . 10.0 111.155 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -62.7 -45.78 91.2 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.942 0.401 . . . . 10.0 110.845 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 334' ' ' ARG . . . . . 0.401 ' HD3' HH11 ' A' ' 334' ' ' ARG . 35.3 mtt-85 -63.94 -41.88 97.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.4 179.236 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 335' ' ' LEU . . . . . 0.606 ' O ' ' HB2' ' A' ' 339' ' ' LYS . 24.8 mt -62.63 -43.84 97.8 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.278 179.111 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -63.49 -45.91 88.57 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 120.645 0.26 . . . . 10.0 110.572 179.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 337' ' ' ALA . . . . . 0.509 ' O ' ' HB2' ' A' ' 341' ' ' ASN . . . -56.21 -47.18 78.9 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.846 -0.615 . . . . 10.0 110.349 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 67.0 mt -80.96 -12.91 59.3 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.306 -0.407 . . . . 10.0 111.823 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 339' ' ' LYS . . . . . 0.606 ' HB2' ' O ' ' A' ' 335' ' ' LEU . 70.7 tttt -80.64 -54.87 5.26 Favored 'General case' 0 CA--C 1.512 -0.504 0 N-CA-C 109.417 -0.586 . . . . 10.0 109.417 179.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -66.02 -41.52 90.84 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.36 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 341' ' ' ASN . . . . . 0.509 ' HB2' ' O ' ' A' ' 337' ' ' ALA . 4.7 t-20 -67.15 -44.18 80.43 Favored 'General case' 0 C--O 1.225 -0.197 0 N-CA-C 108.846 -0.798 . . . . 10.0 108.846 178.523 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -60.44 -41.51 98.61 Favored Glycine 0 N--CA 1.447 -0.586 0 CA-C-N 115.798 -0.637 . . . . 10.0 111.892 179.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -61.25 -41.68 99.56 Favored Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 110.902 -0.879 . . . . 10.0 110.902 178.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -68.86 -40.21 79.46 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 109.728 -0.471 . . . . 10.0 109.728 179.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 33.0 mtm180 -64.58 -44.11 91.72 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.579 179.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 24.0 mt -59.79 -47.46 85.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.87 0.367 . . . . 10.0 110.199 179.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.97 -40.46 93.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.121 0.486 . . . . 10.0 110.183 179.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -67.32 -44.73 78.4 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.017 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -61.44 -41.42 97.16 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.394 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 31.1 m-70 -62.03 -44.95 95.6 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.566 -0.531 . . . . 10.0 109.566 178.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . 0.432 ' O ' ' HG2' ' A' ' 355' ' ' GLU . . . -63.13 -47.11 84.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.814 -0.63 . . . . 10.0 109.792 179.066 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 12.2 mttm -59.99 -46.21 90.21 Favored 'General case' 0 CA--C 1.521 -0.135 0 CA-C-N 116.134 -0.485 . . . . 10.0 109.836 178.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . 0.472 ' O ' ' HG ' ' A' ' 357' ' ' LEU . . . -59.19 -37.22 76.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.057 -0.519 . . . . 10.0 110.095 179.216 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 55.4 m -61.85 -47.17 86.25 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.09 -0.708 . . . . 10.0 109.09 178.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 355' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' ' 351' ' ' ALA . 8.4 mm-40 -63.43 -39.36 94.28 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.014 -0.539 . . . . 10.0 109.685 178.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -64.96 -36.33 84.03 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-N 115.703 -0.681 . . . . 10.0 109.966 178.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 357' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 353' ' ' ALA . 72.5 mt -70.5 -40.17 73.7 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 110.012 -0.366 . . . . 10.0 110.012 179.051 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 20.3 m -62.56 -39.91 95.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.211 -0.449 . . . . 10.0 110.276 178.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 1.6 p -76.96 -32.85 57.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.064 0.459 . . . . 10.0 110.159 178.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 360' ' ' LEU . . . . . 0.564 ' HA ' ' HE3' ' A' ' 363' ' ' LYS . 56.3 tp -65.16 -30.24 71.14 Favored 'General case' 0 CA--C 1.517 -0.292 0 N-CA-C 109.022 -0.732 . . . . 10.0 109.022 178.438 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 35.7 m -63.19 -30.55 71.67 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.536 -0.757 . . . . 10.0 109.842 178.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 362' ' ' GLU . . . . . 0.442 ' HA ' ' HD2' ' A' ' 366' ' ' PRO . 5.3 mm-40 -72.39 -22.79 61.08 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.35 -0.611 . . . . 10.0 109.35 179.011 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 363' ' ' LYS . . . . . 0.738 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 44.6 mtmt -91.97 -23.16 19.65 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.503 -0.771 . . . . 10.0 110.529 179.493 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 364' ' ' ALA . . . . . 0.445 ' O ' ' HB2' ' A' ' 368' ' ' LEU . . . -91.16 -33.69 15.32 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.909 -179.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 365' ' ' LYS . . . . . 1.012 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 82.8 mttt -97.79 -74.18 0.04 OUTLIER Pre-proline 0 CA--C 1.538 0.49 0 N-CA-C 112.423 0.527 . . . . 10.0 112.423 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 366' ' ' PRO . . . . . 1.012 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 32.3 Cg_exo -61.84 -54.19 1.71 Allowed 'Trans proline' 0 C--N 1.355 0.876 0 C-N-CA 121.923 1.749 . . . . 10.0 113.034 -179.382 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 367' ' ' ALA . . . . . 0.738 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -57.23 -48.49 78.7 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.325 0.491 . . . . 10.0 112.325 -179.316 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 368' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' ' 363' ' ' LYS . 12.1 mt -64.86 -37.56 88.05 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.912 -0.315 . . . . 10.0 111.041 179.42 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -60.79 -50.25 74.22 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.089 -0.708 . . . . 10.0 109.089 178.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.28 -43.12 92.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.755 -0.657 . . . . 10.0 110.505 179.343 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 75.1 mt -63.36 -45.99 88.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.669 179.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 82.9 mtt180 -65.47 -36.9 85.26 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 120.769 0.319 . . . . 10.0 110.774 179.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -63.09 -35.58 80.74 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.687 -0.688 . . . . 10.0 110.094 178.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -83.13 -31.93 27.29 Favored Glycine 0 N--CA 1.45 -0.412 0 CA-C-N 115.907 -0.588 . . . . 10.0 112.015 179.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 375' ' ' LEU . . . . . 0.53 HD11 ' H40' ' A' ' 416' ' ' 17F . 43.3 mt -61.92 -38.16 87.38 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 120.326 0.107 . . . . 10.0 111.086 179.435 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 18.9 mt -52.54 -61.81 4.12 Favored Pre-proline 0 CA--C 1.54 0.584 0 N-CA-C 113.238 0.829 . . . . 10.0 113.238 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_endo -59.84 -36.42 90.94 Favored 'Trans proline' 0 C--N 1.356 0.964 0 C-N-CA 122.115 1.877 . . . . 10.0 111.638 179.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 57.5 t -64.04 -44.34 97.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 379' ' ' LEU . . . . . 0.438 ' O ' ' HG3' ' A' ' 383' ' ' LYS . 63.0 mt -63.08 -41.37 99.4 Favored 'General case' 0 CA--C 1.516 -0.365 0 N-CA-C 109.622 -0.511 . . . . 10.0 109.622 178.523 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 380' ' ' GLU . . . . . 0.469 ' O ' HG23 ' A' ' 384' ' ' VAL . 14.0 mt-10 -61.89 -43.03 99.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 10.0 109.987 178.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 16.3 m -63.56 -40.86 98.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.825 -0.625 . . . . 10.0 109.705 178.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -64.2 -39.4 93.9 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-N 115.833 -0.621 . . . . 10.0 110.512 179.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 383' ' ' LYS . . . . . 0.438 ' HG3' ' O ' ' A' ' 379' ' ' LEU . 91.7 mttt -58.9 -44.44 91.24 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 110.009 -0.367 . . . . 10.0 110.009 179.109 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 384' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 380' ' ' GLU . 39.6 t -65.1 -45.25 94.78 Favored 'Isoleucine or valine' 0 C--O 1.232 0.161 0 CA-C-O 121.059 0.457 . . . . 10.0 110.129 179.502 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 21.4 m -64.83 -38.65 91.71 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.849 -0.614 . . . . 10.0 111.55 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -72.74 -40.37 66.11 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.544 0.211 . . . . 10.0 111.35 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 17.7 mt -61.11 -44.81 96.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.803 0.335 . . . . 10.0 110.355 178.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 388' ' ' SER . . . . . 0.797 ' HB2' ' HD3' ' D' ' 594' ' ' LYS . 9.7 p -68.66 -34.93 76.55 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.604 179.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -65.33 -40.45 93.71 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.178 -0.465 . . . . 10.0 110.105 179.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 77.6 mt -62.09 -37.25 84.33 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.034 -0.53 . . . . 10.0 109.824 178.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -63.41 -38.7 92.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.925 -0.58 . . . . 10.0 110.174 178.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -56.72 -43.01 80.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.633 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -61.63 -42.99 99.67 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.926 -0.579 . . . . 10.0 109.906 178.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 18.0 m -70.42 -31.77 69.11 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.954 -0.567 . . . . 10.0 112.423 -179.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -82.83 -36.23 25.68 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 113.617 0.969 . . . . 10.0 113.617 -178.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 396' ' ' LYS . . . . . 0.474 ' HG2' ' HB2' ' D' ' 587' ' ' ALA . 1.7 mptt -98.47 -35.82 10.14 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 113.938 1.088 . . . . 10.0 113.938 -178.291 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 36.1 mt -93.75 -1.76 54.63 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.749 -0.38 . . . . 10.0 111.724 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 15.1 t30 . . . . . 0 C--N 1.324 -0.539 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.299 -179.736 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 399' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' D' ' 399' ' ' LEU . 3.7 mm? . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.909 0.385 . . . . 10.0 111.006 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -83.92 31.56 0.49 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.552 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 44.7 mt -65.71 -39.18 90.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.86 -0.609 . . . . 10.0 111.543 -179.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 87.3 mt -68.24 -41.24 81.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.823 0.344 . . . . 10.0 110.54 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -66.0 -44.57 84.43 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.58 -0.736 . . . . 10.0 109.689 179.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 404' ' ' ASN . . . . . 0.428 ' O ' HG23 ' D' ' 408' ' ' VAL . 26.8 t-20 -63.22 -46.5 86.68 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.423 -0.808 . . . . 10.0 110.668 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -63.17 -29.76 71.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.199 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -65.37 -43.25 91.32 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.849 -0.426 . . . . 10.0 109.849 179.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.29 -34.55 77.94 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.119 0.485 . . . . 10.0 110.028 179.193 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 408' ' ' VAL . . . . . 0.428 HG23 ' O ' ' D' ' 404' ' ' ASN . 54.8 t -68.44 -32.73 56.65 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-N 115.441 -0.799 . . . . 10.0 109.164 178.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 82.4 m -67.72 -40.54 84.22 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.515 -0.766 . . . . 10.0 109.332 178.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.6 -39.35 83.93 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.724 -0.671 . . . . 10.0 110.58 179.059 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.15 -37.35 80.95 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 116.178 -0.464 . . . . 10.0 110.019 179.337 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -65.84 -44.16 86.34 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.167 178.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 413' ' ' SER . . . . . 0.523 ' O ' ' HG3' ' D' ' 417' ' ' GLU . 14.5 m -58.94 -42.9 90.91 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.87 -0.418 . . . . 10.0 109.87 178.663 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 414' ' ' LYS . . . . . 0.426 ' HD3' ' HA ' ' D' ' 414' ' ' LYS . 28.6 mmtt -61.68 -37.18 83.14 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 121.248 0.547 . . . . 10.0 110.566 178.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 85.5 mt -69.57 -38.88 77.58 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.867 -0.606 . . . . 10.0 109.596 178.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -64.94 -34.71 79.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.978 -0.555 . . . . 10.0 111.014 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 417' ' ' GLU . . . . . 0.531 ' O ' ' HD2' ' D' ' 421' ' ' PRO . 76.2 mt-10 -67.43 -40.9 85.51 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.296 -0.631 . . . . 10.0 109.296 178.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 418' ' ' GLN . . . . . 0.645 ' O ' ' HB ' ' D' ' 422' ' ' VAL . 46.1 mt-30 -71.88 -25.3 61.88 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.763 -0.653 . . . . 10.0 110.201 179.027 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 419' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' D' ' 419' ' ' LEU . 17.6 mt -74.38 -0.4 17.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.691 -0.686 . . . . 10.0 111.235 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -99.68 -94.18 2.09 Favored Glycine 0 N--CA 1.444 -0.828 0 CA-C-N 115.71 -0.677 . . . . 10.0 111.557 178.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 421' ' ' PRO . . . . . 0.531 ' HD2' ' O ' ' D' ' 417' ' ' GLU . 85.4 Cg_exo -50.33 -43.39 44.09 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 123.662 2.908 . . . . 10.0 113.773 -179.697 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 422' ' ' VAL . . . . . 0.645 ' HB ' ' O ' ' D' ' 418' ' ' GLN . 57.4 t -63.69 -40.88 90.68 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 CA-C-O 120.579 0.228 . . . . 10.0 111.342 -179.453 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 423' ' ' THR . . . . . 0.416 ' HA ' ' HB3' ' D' ' 426' ' ' PHE . 3.8 m -73.73 -35.19 65.05 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.938 -0.393 . . . . 10.0 109.938 179.617 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -60.71 -45.59 93.63 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.103 -0.499 . . . . 10.0 109.841 178.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -75.29 -25.05 57.64 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.272 -0.422 . . . . 10.0 110.219 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 426' ' ' PHE . . . . . 0.417 ' O ' ' HG ' ' D' ' 430' ' ' LEU . 23.3 t80 -66.34 -39.87 89.49 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 108.576 -0.898 . . . . 10.0 108.576 177.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 427' ' ' TRP . . . . . 0.549 ' HA ' HD12 ' D' ' 430' ' ' LEU . 4.3 m95 -67.19 -39.36 86.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.466 -0.788 . . . . 10.0 109.316 178.069 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -66.8 -32.99 74.63 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 108.626 -0.879 . . . . 10.0 108.626 177.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -67.99 -42.53 80.63 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 108.944 -0.761 . . . . 10.0 108.944 177.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 430' ' ' LEU . . . . . 0.549 HD12 ' HA ' ' D' ' 427' ' ' TRP . 85.9 mt -55.82 -38.21 69.7 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 115.832 -0.622 . . . . 10.0 109.555 178.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 -62.87 -46.18 89.06 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.826 -0.625 . . . . 10.0 109.591 178.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -61.44 -44.5 97.01 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 116.123 -0.489 . . . . 10.0 109.904 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 433' ' ' GLU . . . . . 0.443 ' O ' ' HG ' ' D' ' 437' ' ' LEU . 13.3 mt-10 -62.99 -53.21 57.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.758 -0.656 . . . . 10.0 111.555 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 12.0 p -63.69 -45.5 89.75 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.732 0.271 . . . . 10.0 111.732 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 435' ' ' GLU . . . . . 0.466 ' O ' ' HG3' ' D' ' 439' ' ' GLN . 24.3 mm-40 -64.45 -41.08 96.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.814 0.34 . . . . 10.0 110.448 179.427 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -63.74 -42.07 98.73 Favored Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 110.549 -1.02 . . . . 10.0 110.549 178.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 437' ' ' LEU . . . . . 0.444 ' O ' ' HB2' ' D' ' 441' ' ' MET . 73.9 mt -67.64 -29.66 69.02 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.587 -0.523 . . . . 10.0 109.587 178.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 61.4 mtt180 -71.02 -29.69 65.69 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.222 -0.445 . . . . 10.0 109.929 178.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 439' ' ' GLN . . . . . 0.466 ' HG3' ' O ' ' D' ' 435' ' ' GLU . 97.5 mt-30 -61.02 -40.24 92.83 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 109.625 -0.509 . . . . 10.0 109.625 178.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 440' ' ' GLU . . . . . 0.478 ' O ' ' HB2' ' D' ' 444' ' ' ASP . 4.8 pt-20 -87.16 -41.5 13.71 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.626 -0.715 . . . . 10.0 111.384 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 441' ' ' MET . . . . . 0.444 ' HB2' ' O ' ' D' ' 437' ' ' LEU . 6.9 mmm -61.76 -38.72 89.04 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 112.605 0.595 . . . . 10.0 112.605 -179.123 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 36.1 p -64.81 -54.26 34.02 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.787 -0.449 . . . . 10.0 109.787 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 443' ' ' LYS . . . . . 0.453 ' HB3' ' HE3' ' D' ' 443' ' ' LYS . 16.3 mtpp -61.9 -29.05 69.95 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.947 -0.57 . . . . 10.0 110.337 179.06 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 444' ' ' ASP . . . . . 0.54 ' O ' HG23 ' D' ' 448' ' ' VAL . 4.9 t0 -70.26 -57.76 4.52 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.811 -0.631 . . . . 10.0 109.786 179.303 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 11.9 mt -60.4 -42.8 96.68 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.659 0.615 . . . . 10.0 112.659 -179.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -64.46 -25.92 68.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.361 0.601 . . . . 10.0 110.04 179.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 447' ' ' GLU . . . . . 0.451 ' HB2' ' O ' ' D' ' 443' ' ' LYS . 4.7 tt0 -90.97 -23.94 20.27 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.835 -0.62 . . . . 10.0 109.989 179.11 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 448' ' ' VAL . . . . . 0.54 HG23 ' O ' ' D' ' 444' ' ' ASP . 6.6 t -60.86 -41.58 89.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 109.136 -0.69 . . . . 10.0 109.136 178.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 70.6 mttt -64.91 -25.58 67.94 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.431 -0.804 . . . . 10.0 109.808 178.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -94.47 -1.57 53.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.579 -0.737 . . . . 10.0 111.316 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 451' ' ' LYS . . . . . 0.433 ' O ' ' HB2' ' D' ' 455' ' ' TYR . 36.7 mmtm -113.04 -45.83 3.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.497 -0.319 . . . . 10.0 110.915 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 98.3 t -68.34 -40.78 82.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.315 -0.402 . . . . 10.0 111.367 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -55.73 -60.06 9.68 Favored Pre-proline 0 CA--C 1.536 0.408 0 N-CA-C 112.18 0.437 . . . . 10.0 112.18 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -64.84 -29.77 58.59 Favored 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 121.54 1.494 . . . . 10.0 111.647 179.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 455' ' ' TYR . . . . . 0.535 ' O ' ' HB2' ' D' ' 459' ' ' PHE . 2.6 t80 -69.54 -41.97 75.24 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 110.14 -0.319 . . . . 10.0 110.14 179.285 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 20.0 mt -66.25 -36.19 82.35 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.854 -0.424 . . . . 10.0 109.854 179.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -67.1 -50.63 60.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.852 -0.613 . . . . 10.0 109.987 178.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -63.39 -36.67 84.48 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-N 115.877 -0.601 . . . . 10.0 109.991 179.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 459' ' ' PHE . . . . . 0.535 ' HB2' ' O ' ' D' ' 455' ' ' TYR . 0.0 OUTLIER -65.58 -47.95 74.02 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 115.716 -0.675 . . . . 10.0 109.58 178.552 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -62.61 -35.15 78.63 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.914 -0.585 . . . . 10.0 110.346 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 461' ' ' LYS . . . . . 0.433 ' O ' ' HG3' ' D' ' 465' ' ' GLU . 61.5 mttt -61.41 -46.23 91.0 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.312 -0.625 . . . . 10.0 109.312 178.106 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 462' ' ' LYS . . . . . 0.776 ' HB3' H283 ' D' ' 602' ' ' PCW . 14.9 mtmm -67.66 -36.18 80.25 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 115.521 -0.763 . . . . 10.0 110.202 178.406 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 37.9 m0 -62.62 -46.42 88.34 Favored 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 108.613 -0.884 . . . . 10.0 108.613 177.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -59.0 -44.72 91.69 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-N 115.485 -0.78 . . . . 10.0 109.745 178.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 465' ' ' GLU . . . . . 0.611 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 36.2 mt-10 -56.66 -58.67 7.08 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.434 179.347 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.86 -42.73 98.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.436 -179.512 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 25.8 ttm -60.69 -45.43 94.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.706 0.289 . . . . 10.0 110.767 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -67.98 -41.2 82.71 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 116.382 -0.372 . . . . 10.0 110.086 178.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 469' ' ' LEU . . . . . 0.611 ' HG ' ' O ' ' D' ' 465' ' ' GLU . 65.9 mt -57.36 -41.85 80.93 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 116.242 -0.436 . . . . 10.0 110.171 179.111 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 14.3 m-30 -62.91 -26.61 68.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 10.0 111.059 179.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 471' ' ' ARG . . . . . 0.854 ' HA ' ' HG3' ' D' ' 475' ' ' GLU . 14.5 mmt85 -74.89 -19.91 59.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.099 -0.501 . . . . 10.0 110.205 178.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 472' ' ' GLN . . . . . 0.402 ' H ' ' HG2' ' D' ' 472' ' ' GLN . 0.0 OUTLIER -114.5 10.61 16.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 10.0 111.09 178.779 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 473' ' ' LYS . . . . . 0.554 ' HG2' HD13 ' A' ' 301' ' ' LEU . 83.6 mttt -133.51 -64.83 0.7 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.781 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 94.9 t -63.19 -42.18 95.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.574 -0.285 . . . . 10.0 110.766 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 475' ' ' GLU . . . . . 0.854 ' HG3' ' HA ' ' D' ' 471' ' ' ARG . 3.0 mt-10 -58.06 -57.19 27.68 Favored Pre-proline 0 CA--C 1.538 0.509 0 N-CA-C 112.052 0.39 . . . . 10.0 112.052 179.415 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_endo -62.46 -34.63 75.44 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 121.821 1.681 . . . . 10.0 111.142 177.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 19.6 mt -64.75 -31.21 72.33 Favored 'General case' 0 CA--C 1.522 -0.109 0 CA-C-O 121.23 0.538 . . . . 10.0 109.707 178.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 478' ' ' ARG . . . . . 0.43 ' O ' ' HB2' ' D' ' 482' ' ' GLN . 13.7 mtt180 -67.3 -29.6 69.23 Favored 'General case' 0 C--O 1.22 -0.474 0 N-CA-C 109.228 -0.656 . . . . 10.0 109.228 177.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -76.13 -38.79 56.38 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 108.321 -0.992 . . . . 10.0 108.321 178.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.41 -45.5 94.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.347 -0.842 . . . . 10.0 108.764 177.707 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 90.1 mt -74.77 -25.63 59.2 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 115.513 -0.767 . . . . 10.0 110.4 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 482' ' ' GLN . . . . . 0.43 ' HB2' ' O ' ' D' ' 478' ' ' ARG . 7.0 tp60 -65.59 -59.62 3.77 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.315 -0.624 . . . . 10.0 109.315 179.046 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.33 -34.69 78.55 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.519 -0.764 . . . . 10.0 110.24 179.574 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -64.83 -44.1 95.2 Favored Glycine 0 N--CA 1.446 -0.637 0 N-CA-C 111.388 -0.685 . . . . 10.0 111.388 178.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -67.59 -39.18 84.82 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 109.735 -0.468 . . . . 10.0 109.735 178.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -62.83 -41.9 99.51 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 116.071 -0.513 . . . . 10.0 109.665 178.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 487' ' ' GLN . . . . . 0.473 ' O ' ' HG3' ' D' ' 491' ' ' GLU . 6.2 mm-40 -66.75 -43.6 83.67 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.709 -0.678 . . . . 10.0 109.472 178.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -63.98 -37.58 87.94 Favored 'General case' 0 C--O 1.224 -0.24 0 N-CA-C 109.69 -0.485 . . . . 10.0 109.69 178.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 31.8 mt -64.3 -38.64 91.77 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 109.17 -0.678 . . . . 10.0 109.17 177.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -66.69 -45.76 77.77 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 108.181 -1.044 . . . . 10.0 108.181 177.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 491' ' ' GLU . . . . . 0.473 ' HG3' ' O ' ' D' ' 487' ' ' GLN . 42.9 mt-10 -58.28 -41.36 84.18 Favored 'General case' 0 CA--C 1.52 -0.174 0 N-CA-C 109.269 -0.641 . . . . 10.0 109.269 178.209 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 49.9 mt -66.63 -47.31 72.99 Favored 'General case' 0 C--O 1.22 -0.473 0 CA-C-N 115.728 -0.669 . . . . 10.0 110.408 179.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -60.1 -37.47 80.08 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.783 0.325 . . . . 10.0 110.803 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -69.32 -8.2 44.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.965 179.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 495' ' ' LYS . . . . . 0.715 ' HE3' HD22 ' A' ' 279' ' ' LEU . 48.5 mttp -112.93 -44.28 3.31 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.123 179.182 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 496' ' ' LEU . . . . . 0.403 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 80.5 mt -62.55 -22.32 66.24 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.88 -0.6 . . . . 10.0 111.846 -179.398 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 497' ' ' SER . . . . . 0.528 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 10.4 m -81.41 -65.46 0.25 Allowed Pre-proline 0 C--N 1.325 -0.488 0 C-N-CA 120.786 -0.365 . . . . 10.0 111.868 179.733 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 498' ' ' PRO . . . . . 0.528 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 41.0 Cg_endo -66.44 -45.99 4.52 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 121.66 1.573 . . . . 10.0 112.15 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 499' ' ' LEU . . . . . 0.695 HD21 ' HG2' ' A' ' 275' ' ' LYS . 82.9 mt -72.54 -29.94 64.01 Favored 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 110.077 -0.342 . . . . 10.0 110.077 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 500' ' ' GLY . . . . . 0.43 ' O ' ' HG3' ' D' ' 504' ' ' ARG . . . -65.56 -50.6 53.82 Favored Glycine 0 N--CA 1.442 -0.959 0 N-CA-C 110.479 -1.048 . . . . 10.0 110.479 178.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -65.64 -34.66 78.74 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 109.545 -0.539 . . . . 10.0 109.545 178.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 502' ' ' GLU . . . . . 0.417 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 23.9 tt0 -64.08 -45.61 87.95 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 109.234 -0.654 . . . . 10.0 109.234 178.119 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 503' ' ' MET . . . . . 0.435 ' HA ' ' HD2' ' D' ' 506' ' ' ARG . 74.8 mmm -61.66 -36.05 79.72 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 109.392 -0.595 . . . . 10.0 109.392 178.73 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 504' ' ' ARG . . . . . 0.43 ' HG3' ' O ' ' D' ' 500' ' ' GLY . 95.1 mtt180 -63.56 -46.8 84.25 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.267 -0.642 . . . . 10.0 109.267 178.27 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 505' ' ' ASP . . . . . 0.669 ' HA ' ' HD2' ' D' ' 508' ' ' ARG . 4.3 m-20 -64.3 -39.74 94.54 Favored 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.375 179.305 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 506' ' ' ARG . . . . . 0.435 ' HD2' ' HA ' ' D' ' 503' ' ' MET . 57.9 mtt180 -59.15 -47.2 86.16 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 108.812 -0.811 . . . . 10.0 108.812 178.359 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -62.83 -40.21 96.7 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.492 -0.776 . . . . 10.0 109.635 179.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 508' ' ' ARG . . . . . 0.669 ' HD2' ' HA ' ' D' ' 505' ' ' ASP . 72.5 mtt180 -59.2 -41.34 88.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.246 -0.434 . . . . 10.0 110.435 178.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -68.01 -42.27 80.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.908 -0.587 . . . . 10.0 111.281 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 510' ' ' HIS . . . . . 0.444 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 75.6 m-70 -71.67 -45.27 62.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.827 0.346 . . . . 10.0 110.668 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.35 -42.29 95.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.364 -0.38 . . . . 10.0 110.362 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 512' ' ' ASP . . . . . 0.506 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 12.0 t70 -65.43 -35.52 81.18 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 121.055 0.455 . . . . 10.0 109.917 179.343 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 513' ' ' ALA . . . . . 0.428 ' HB2' ' NZ ' ' A' ' 264' ' ' LYS . . . -66.12 -41.05 91.06 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 108.506 -0.924 . . . . 10.0 108.506 177.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 514' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' D' ' 510' ' ' HIS . 70.6 mt -60.5 -34.4 74.02 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 115.957 -0.565 . . . . 10.0 109.637 178.522 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 515' ' ' ARG . . . . . 0.506 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 82.6 mtt180 -67.35 -23.55 65.62 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.953 -0.567 . . . . 10.0 109.716 178.446 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -103.7 1.5 31.91 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.539 -0.755 . . . . 10.0 110.369 -179.53 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 517' ' ' HIS . . . . . 0.403 ' O ' ' HB2' ' D' ' 521' ' ' TYR . 38.7 m170 -115.59 -64.71 1.28 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.382 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 79.4 mt -65.11 -51.29 62.17 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 115.899 -0.591 . . . . 10.0 112.188 -178.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 519' ' ' ALA . . . . . 0.672 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -53.71 -58.31 13.67 Favored Pre-proline 0 CA--C 1.54 0.592 0 N-CA-C 113.117 0.784 . . . . 10.0 113.117 -179.372 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 520' ' ' PRO . . . . . 0.672 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 38.0 Cg_exo -62.47 -41.27 33.85 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 121.958 1.772 . . . . 10.0 111.543 179.534 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 521' ' ' TYR . . . . . 0.403 ' HB2' ' O ' ' D' ' 517' ' ' HIS . 6.7 t80 -67.45 -34.69 77.71 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.31 -0.405 . . . . 10.0 111.74 -179.274 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 522' ' ' SER . . . . . 0.514 ' O ' ' HG3' ' D' ' 526' ' ' ARG . 94.8 p -64.95 -34.03 77.45 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 121.036 -0.266 . . . . 10.0 110.748 179.448 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 523' ' ' ASP . . . . . 0.489 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 25.6 t70 -69.43 -35.93 76.18 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 109.367 -0.605 . . . . 10.0 109.367 178.504 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -71.32 -35.6 71.29 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 108.236 -1.024 . . . . 10.0 108.236 177.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 525' ' ' LEU . . . . . 0.458 ' O ' ' HG ' ' D' ' 529' ' ' LEU . 28.5 mt -64.96 -34.22 77.91 Favored 'General case' 0 C--O 1.22 -0.49 0 CA-C-N 115.196 -0.911 . . . . 10.0 109.014 177.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 526' ' ' ARG . . . . . 0.514 ' HG3' ' O ' ' D' ' 522' ' ' SER . 82.4 mtt180 -61.09 -35.65 77.55 Favored 'General case' 0 C--O 1.227 -0.107 0 O-C-N 123.471 0.482 . . . . 10.0 109.784 178.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -64.7 -40.12 94.82 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 108.671 -0.863 . . . . 10.0 108.671 178.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 528' ' ' ARG . . . . . 0.706 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 93.3 mtt180 -71.48 -46.41 59.95 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.751 -1.113 . . . . 10.0 109.849 179.432 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 529' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' D' ' 525' ' ' LEU . 95.1 mt -59.4 -39.53 83.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.62 179.393 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -62.89 -46.79 86.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 10.0 110.166 179.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -65.37 -41.62 93.58 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.183 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -64.33 -45.33 88.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.017 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 55.8 mt -65.85 -37.64 86.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.058 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 534' ' ' GLU . . . . . 0.536 ' HA ' ' HE3' ' D' ' 537' ' ' LYS . 26.3 tt0 -64.46 -40.05 94.98 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 115.928 -0.578 . . . . 10.0 109.523 178.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -64.37 -42.99 95.9 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 108.571 -0.899 . . . . 10.0 108.571 178.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 95.4 mt -65.19 -26.78 68.29 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.615 -0.721 . . . . 10.0 110.629 179.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 537' ' ' LYS . . . . . 0.536 ' HE3' ' HA ' ' D' ' 534' ' ' GLU . 47.6 mtmt -80.4 -37.69 31.74 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.866 -0.42 . . . . 10.0 109.866 178.362 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -70.67 -56.78 5.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 10.0 109.948 178.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 10.4 m-20 -66.55 -36.04 81.69 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.34 -0.615 . . . . 10.0 109.34 179.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -66.2 -41.0 95.08 Favored Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 111.17 -0.772 . . . . 10.0 111.17 179.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -63.35 -43.06 98.92 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 110.215 -1.154 . . . . 10.0 110.215 178.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -63.88 -46.52 84.54 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.938 -0.764 . . . . 10.0 108.938 178.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 53.2 mtt180 -58.5 -37.27 75.23 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.609 179.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 52.2 mt -64.68 -40.9 96.18 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.755 -0.461 . . . . 10.0 109.755 179.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -68.13 -43.46 78.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.836 -0.62 . . . . 10.0 109.418 178.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 546' ' ' GLU . . . . . 0.414 ' O ' ' HB2' ' D' ' 550' ' ' LYS . 33.1 mt-10 -62.21 -43.48 98.73 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 115.785 -0.643 . . . . 10.0 109.519 178.335 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -62.51 -41.27 98.72 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-N 115.852 -0.613 . . . . 10.0 109.486 178.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -62.34 -51.1 68.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.114 179.349 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -61.66 -51.01 70.22 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.022 -0.536 . . . . 10.0 110.955 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 550' ' ' LYS . . . . . 0.414 ' HB2' ' O ' ' D' ' 546' ' ' GLU . 0.0 OUTLIER -62.59 -31.19 71.98 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.013 -0.539 . . . . 10.0 111.322 -179.933 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -63.29 -41.88 99.01 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.649 -0.5 . . . . 10.0 109.649 178.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.87 -41.26 87.58 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.668 -0.493 . . . . 10.0 109.668 178.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -64.38 -46.35 83.71 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.711 -0.477 . . . . 10.0 109.711 178.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 68.3 t60 -61.4 -40.65 95.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.645 -0.707 . . . . 10.0 109.389 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 10.2 tp -64.54 -43.38 94.16 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.54 -0.755 . . . . 10.0 110.421 179.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 20.0 m -63.19 -41.02 99.12 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.298 178.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 7.4 m -70.15 -28.79 65.64 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.451 -0.574 . . . . 10.0 109.451 178.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 14.8 mt -67.45 -51.26 53.62 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.615 -0.721 . . . . 10.0 110.052 179.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 1.2 p -66.92 -36.02 81.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.758 0.313 . . . . 10.0 110.822 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -58.9 -30.83 68.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.878 -0.601 . . . . 10.0 111.226 179.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 561' ' ' LYS . . . . . 0.744 ' HA ' ' HE3' ' D' ' 561' ' ' LYS . 0.1 OUTLIER -99.25 -40.14 8.09 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 116.351 -0.386 . . . . 10.0 111.044 179.587 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -59.4 -45.21 92.14 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.813 0.671 . . . . 10.0 112.813 -179.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -55.3 -62.64 4.05 Favored Pre-proline 0 N--CA 1.463 0.216 0 N-CA-C 111.898 0.333 . . . . 10.0 111.898 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -61.53 -37.19 72.28 Favored 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 121.5 1.466 . . . . 10.0 111.616 179.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -61.23 -50.28 73.73 Favored 'General case' 0 C--O 1.22 -0.492 0 C-N-CA 121.362 -0.135 . . . . 10.0 110.682 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 42.6 mt -60.26 -43.74 95.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.68 0.276 . . . . 10.0 110.921 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -64.62 -52.26 58.38 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.209 0.528 . . . . 10.0 110.635 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -65.21 -40.06 93.63 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.828 -0.624 . . . . 10.0 112.365 -178.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 52.3 mt -62.98 -45.27 93.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.775 0.321 . . . . 10.0 110.354 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 570' ' ' ARG . . . . . 0.437 ' O ' ' HG ' ' D' ' 574' ' ' LEU . 60.6 mtt85 -66.72 -40.6 88.48 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.018 0.437 . . . . 10.0 110.405 179.162 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -66.54 -24.19 66.34 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.223 0.535 . . . . 10.0 110.266 178.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -89.9 -30.67 12.44 Favored Glycine 0 N--CA 1.443 -0.836 0 N-CA-C 110.697 -0.961 . . . . 10.0 110.697 178.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 28.5 mt -68.87 -37.25 78.95 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.533 -0.333 . . . . 10.0 110.881 179.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 574' ' ' LEU . . . . . 0.445 ' O ' ' HG2' ' D' ' 578' ' ' GLU . 96.7 mt -50.28 -61.91 3.23 Favored Pre-proline 0 CA--C 1.536 0.422 0 N-CA-C 112.882 0.697 . . . . 10.0 112.882 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -65.36 -33.55 47.31 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 121.887 1.724 . . . . 10.0 111.345 179.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 4.0 t -65.14 -45.62 93.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.644 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 72.0 mt -60.89 -40.6 93.64 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.465 -0.334 . . . . 10.0 110.102 179.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 578' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' D' ' 574' ' ' LEU . 15.5 mm-40 -64.4 -42.89 95.85 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.654 -0.498 . . . . 10.0 109.654 178.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 46.0 m -63.55 -40.72 97.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.0 -0.545 . . . . 10.0 109.751 178.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -64.47 -42.41 95.93 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.984 -0.553 . . . . 10.0 109.874 178.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -57.79 -49.36 76.87 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.182 178.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 582' ' ' VAL . . . . . 0.402 HG23 ' O ' ' D' ' 578' ' ' GLU . 91.3 t -60.37 -41.92 89.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.577 179.531 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 14.5 m -66.6 -40.06 88.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.677 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -69.82 -41.14 75.37 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.771 179.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 585' ' ' LEU . . . . . 0.403 ' O ' ' HG3' ' D' ' 589' ' ' GLU . 46.8 mt -59.69 -51.33 70.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 10.0 111.088 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 18.3 p -64.08 -30.9 71.94 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.974 0.416 . . . . 10.0 110.659 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 587' ' ' ALA . . . . . 0.474 ' HB2' ' HG2' ' A' ' 396' ' ' LYS . . . -69.92 -51.87 29.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.365 -0.38 . . . . 10.0 110.041 179.078 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 94.9 mt -59.92 -44.41 94.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.052 -0.522 . . . . 10.0 111.648 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 589' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' D' ' 585' ' ' LEU . 44.2 mt-10 -58.82 -53.15 61.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.878 0.37 . . . . 10.0 111.047 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -64.49 -36.46 84.25 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.454 -0.339 . . . . 10.0 111.908 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 591' ' ' TYR . . . . . 0.731 ' HB3' ' H48' ' D' ' 630' ' ' 17F . 3.1 m-30 -61.88 -43.46 98.79 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 116.264 -0.425 . . . . 10.0 110.421 178.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 9.9 m -65.83 -31.05 71.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.813 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -75.11 -47.72 27.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.22 -0.445 . . . . 10.0 111.012 179.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 594' ' ' LYS . . . . . 0.797 ' HD3' ' HB2' ' A' ' 388' ' ' SER . 0.1 OUTLIER -71.17 -38.03 72.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.312 -179.681 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 44.2 mt -98.68 50.43 0.98 Allowed 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.458 -0.571 . . . . 10.0 109.458 179.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 . . . . . 0 C--N 1.322 -0.599 0 CA-C-N 115.852 -0.613 . . . . 10.0 111.448 -179.29 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 6.8 m . . . . . 0 C--O 1.235 0.305 0 CA-C-O 120.79 0.329 . . . . 10.0 111.008 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.45 128.34 34.53 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 121.144 -0.222 . . . . 10.0 110.427 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -92.69 133.03 36.41 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.738 -0.468 . . . . 10.0 109.738 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -130.48 114.46 15.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.988 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.474 ' HA ' ' HB3' ' B' ' 54' ' ' ASP . 47.3 mttm -86.65 111.43 20.65 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.8 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.585 ' O ' ' HA ' ' B' ' 55' ' ' ILE . 20.6 mt -117.95 122.98 44.65 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.522 -179.144 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.401 HG11 ' CD2' ' B' ' 71' ' ' TYR . 54.5 t -104.8 125.53 59.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-O 120.865 0.364 . . . . 10.0 110.925 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.519 ' HA ' ' HB3' ' B' ' 79' ' ' LEU . 21.3 t -85.61 119.62 34.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 108.92 -0.771 . . . . 10.0 108.92 179.394 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.0 m -125.9 151.81 32.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.964 0.411 . . . . 10.0 111.596 -178.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 156.18 176.31 28.15 Favored Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 115.808 -0.633 . . . . 10.0 111.533 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.74 -169.27 0.54 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.232 0.539 . . . . 10.0 111.993 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -94.69 152.93 18.07 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.608 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . 0.692 ' HA2' " H4'" ' B' ' 201' ' ' GSP . . . 70.27 16.72 73.52 Favored Glycine 0 N--CA 1.45 -0.376 0 CA-C-N 115.885 -0.598 . . . . 10.0 112.985 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.438 ' HA ' ' HB2' ' B' ' 83' ' ' ALA . 33.7 m -93.1 -22.09 5.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.752 0.311 . . . . 10.0 111.113 -179.697 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 101.12 22.36 10.78 Favored Glycine 0 CA--C 1.52 0.347 0 C-N-CA 120.987 -0.625 . . . . 10.0 114.516 179.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.522 ' HB2' ' O2B' ' B' ' 201' ' ' GSP . 31.2 mtmm -54.07 -56.93 13.39 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 117.248 0.524 . . . . 10.0 112.049 179.733 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . 0.579 ' HB2' ' O1A' ' B' ' 201' ' ' GSP . 49.2 m -63.41 -50.08 71.22 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.08 -0.509 . . . . 10.0 112.322 -179.145 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . 0.555 ' HB3' ' C8 ' ' B' ' 201' ' ' GSP . . . -55.14 -48.38 73.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.62 -0.264 . . . . 10.0 111.356 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 54.6 tp -58.01 -38.32 75.94 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.921 0.391 . . . . 10.0 110.59 179.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 30.6 m -69.66 -42.28 74.41 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.421 179.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 98.9 mt -66.37 -34.85 72.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.968 -0.56 . . . . 10.0 110.431 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . 0.673 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 17.4 mm-40 -61.27 -23.54 65.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.889 -0.596 . . . . 10.0 111.027 179.186 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.403 ' O ' ' HE2' ' B' ' 42' ' ' LYS . 11.3 tp -96.7 -40.14 9.13 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.367 -0.379 . . . . 10.0 111.248 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.496 ' HA ' ' HD2' ' B' ' 42' ' ' LYS . 40.0 mm -72.06 -65.31 0.67 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.368 0 CA-C-N 116.255 -0.429 . . . . 10.0 112.11 -179.211 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -90.71 -16.96 27.58 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.102 0.477 . . . . 10.0 111.084 -178.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . 0.673 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 58.8 m-80 69.74 55.13 0.36 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.324 -0.853 . . . . 10.0 113.115 179.028 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -166.09 165.66 17.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.383 -0.371 . . . . 10.0 111.012 179.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' PHE . . . . . 0.506 ' HB2' ' NE2' ' B' ' 22' ' ' GLN . 64.6 t80 -106.48 142.98 35.25 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.385 0.612 . . . . 10.0 112.079 -179.104 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 2.0 m -102.81 105.18 17.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.361 -0.836 . . . . 10.0 109.546 179.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -65.26 -45.65 83.68 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.002 -0.544 . . . . 10.0 111.45 -179.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -70.36 150.79 45.93 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.246 -0.434 . . . . 10.0 110.274 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . 0.559 ' CD1' " H3'" ' B' ' 201' ' ' GSP . 8.2 t80 -94.81 137.0 34.46 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.527 -179.168 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -142.58 103.86 5.42 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.135 178.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . 0.619 ' HA ' ' S1G' ' B' ' 201' ' ' GSP . 76.5 Cg_exo -52.06 120.15 6.8 Favored 'Trans proline' 0 CA--C 1.529 0.257 0 C-N-CA 122.851 2.367 . . . . 10.0 111.267 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.9 116.28 27.69 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.584 -0.28 . . . . 10.0 110.797 -178.558 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.734 ' HA ' ' HB2' ' B' ' 59' ' ' ALA . 43.3 mm -83.2 -43.58 18.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 123.663 0.602 . . . . 10.0 111.243 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . 0.457 ' HG2' HD11 ' B' ' 56' ' ' LEU . 4.9 tt0 -162.84 109.31 1.2 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.853 0.359 . . . . 10.0 111.302 -179.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . 0.403 ' HB3' ' CE1' ' B' ' 40' ' ' TYR . 0.3 OUTLIER -124.63 136.57 54.04 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.441 -0.345 . . . . 10.0 110.469 179.743 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 10.8 m -106.49 130.25 54.31 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.675 0.274 . . . . 10.0 111.306 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' TYR . . . . . 0.403 ' CE1' ' HB3' ' B' ' 38' ' ' ASP . 99.4 m-85 -130.71 124.73 32.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.414 -0.357 . . . . 10.0 110.551 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -117.98 129.82 55.82 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.793 0.33 . . . . 10.0 111.098 179.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . 0.496 ' HD2' ' HA ' ' B' ' 24' ' ' ILE . 45.6 tttp -143.41 136.16 27.5 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.462 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -101.04 114.09 27.7 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.279 -0.418 . . . . 10.0 109.976 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 15.4 m -131.99 169.02 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.059 0.457 . . . . 10.0 111.089 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 84.6 t -102.75 119.29 50.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 109.64 -0.504 . . . . 10.0 109.64 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 49.3 mt -120.48 118.57 57.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.681 -0.236 . . . . 10.0 110.41 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . 0.474 ' OD2' ' HD3' ' B' ' 161' ' ' ARG . 30.8 m-20 61.24 23.79 13.97 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 116.027 -0.533 . . . . 10.0 111.972 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.0 4.24 72.28 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.82 -0.705 . . . . 10.0 112.113 -179.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -115.65 118.75 33.95 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.947 -0.39 . . . . 10.0 109.947 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -68.23 119.39 12.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.56 -0.291 . . . . 10.0 110.276 179.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 28.4 m -125.14 142.38 51.53 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.14 0.495 . . . . 10.0 112.165 -179.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 47.7 tp -100.22 110.24 22.5 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 107.743 -1.206 . . . . 10.0 107.743 178.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 80.0 mt -84.59 120.95 26.94 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 112.88 0.696 . . . . 10.0 112.88 -177.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . 0.474 ' HB3' ' HA ' ' B' ' 5' ' ' LYS . 19.9 t0 -102.63 77.63 1.63 Allowed 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 107.143 -1.428 . . . . 10.0 107.143 177.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' ILE . . . . . 0.585 ' HA ' ' O ' ' B' ' 6' ' ' LEU . 72.0 mt -87.37 131.86 34.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.345 -0.843 . . . . 10.0 112.192 -177.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.457 HD11 ' HG2' ' B' ' 37' ' ' GLU . 44.0 tp -119.14 116.44 26.34 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.479 -0.782 . . . . 10.0 110.857 179.41 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -91.46 113.64 25.96 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.369 -0.975 . . . . 10.0 108.369 178.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 39.1 p -100.56 -177.91 3.63 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.559 0.577 . . . . 10.0 112.559 -178.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' ALA . . . . . 0.734 ' HB2' ' HA ' ' B' ' 36' ' ' ILE . . . -81.19 -176.35 5.93 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.336 0.588 . . . . 10.0 111.909 -179.417 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -151.49 28.56 0.96 Allowed Glycine 0 N--CA 1.445 -0.738 0 N-CA-C 110.351 -1.1 . . . . 10.0 110.351 179.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 -100.78 8.55 43.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.353 -0.423 . . . . 10.0 111.653 -179.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.724 ' HG3' ' H ' ' B' ' 63' ' ' GLU . 11.1 tp10 59.57 -152.75 0.39 Allowed 'General case' 0 N--CA 1.466 0.33 0 O-C-N 123.706 0.629 . . . . 10.0 110.121 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.724 ' H ' ' HG3' ' B' ' 62' ' ' GLU . 0.5 OUTLIER 72.93 -49.55 0.7 Allowed 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 112.851 0.686 . . . . 10.0 112.851 179.273 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' TYR . . . . . 0.535 ' HB3' ' HB3' ' B' ' 67' ' ' MET . 4.5 m-85 -76.87 81.36 3.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.915 0.388 . . . . 10.0 111.919 -179.403 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 17.8 m -84.62 -31.92 23.99 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.106 0.479 . . . . 10.0 110.325 179.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.13 -39.48 33.48 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.736 -0.665 . . . . 10.0 110.865 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . 0.535 ' HB3' ' HB3' ' B' ' 64' ' ' TYR . 23.6 ttt -65.52 -39.36 91.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.097 0.475 . . . . 10.0 109.951 179.058 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . 0.663 ' HA ' ' CE1' ' B' ' 71' ' ' TYR . 26.8 ttp180 -62.26 -40.94 97.89 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 115.625 -0.716 . . . . 10.0 110.316 179.447 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -60.13 -38.04 81.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.706 -0.679 . . . . 10.0 110.437 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -62.77 -58.86 5.97 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.022 -0.536 . . . . 10.0 112.355 -178.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' TYR . . . . . 0.663 ' CE1' ' HA ' ' B' ' 68' ' ' ARG . 10.5 p90 -67.28 -19.65 65.52 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 113.704 1.001 . . . . 10.0 113.704 -178.006 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . 0.551 ' HA ' ' HZ ' ' B' ' 78' ' ' PHE . 35.4 mtt -70.37 -24.47 62.97 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.149 0.499 . . . . 10.0 110.898 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -77.01 -49.78 14.64 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.0 -0.546 . . . . 10.0 110.152 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.37 -37.72 83.62 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.555 -0.748 . . . . 10.0 111.826 -179.315 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.63 125.47 20.15 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.896 -0.669 . . . . 10.0 112.323 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -88.75 -41.35 12.6 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.264 0.554 . . . . 10.0 109.677 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . 0.417 ' O ' ' HA ' ' B' ' 6' ' ' LEU . . . -117.0 145.76 18.75 Favored Glycine 0 N--CA 1.443 -0.849 0 N-CA-C 110.284 -1.126 . . . . 10.0 110.284 178.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . 0.551 ' HZ ' ' HA ' ' B' ' 72' ' ' MET . 80.3 m-85 -120.9 142.18 49.93 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.179 0.514 . . . . 10.0 112.105 -178.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.519 ' HB3' ' HA ' ' B' ' 8' ' ' VAL . 12.3 tp -113.06 97.27 6.41 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.535 -0.757 . . . . 10.0 110.126 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . 0.54 ' HB3' HD12 ' B' ' 93' ' ' ILE . 29.8 m -79.42 97.87 6.54 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.145 -0.479 . . . . 10.0 110.147 179.25 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 48.0 t -105.05 121.47 57.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.871 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' PHE . . . . . 0.409 ' HB3' HD11 ' B' ' 93' ' ' ILE . 38.5 p90 -130.32 165.67 21.99 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.667 -0.697 . . . . 10.0 110.279 179.119 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.438 ' HB2' ' HA ' ' B' ' 14' ' ' VAL . . . -101.98 127.92 48.63 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.169 -0.678 . . . . 10.0 109.169 178.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 43.9 pt -68.27 -8.72 9.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.926 0.393 . . . . 10.0 111.638 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -102.86 8.99 39.13 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.423 179.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 38.1 t-20 -135.13 115.96 14.0 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.506 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.01 -30.15 62.31 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.772 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -59.83 -42.61 93.95 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.849 179.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . 0.419 ' O ' HG12 ' B' ' 93' ' ' ILE . 0.9 OUTLIER -68.28 -34.67 76.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 10.0 111.414 -179.705 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -65.67 -43.87 87.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.66 0.267 . . . . 10.0 111.377 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -70.25 -31.2 68.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.361 -0.381 . . . . 10.0 110.277 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.51 -32.09 72.11 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.809 -0.632 . . . . 10.0 111.243 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 93' ' ' ILE . . . . . 0.54 HD12 ' HB3' ' B' ' 80' ' ' CYS . 51.8 mm -58.53 -38.13 68.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.001 -0.545 . . . . 10.0 111.086 -179.516 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -65.52 -51.37 60.47 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.997 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -63.49 -34.46 77.81 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.875 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 96' ' ' TYR . . . . . 0.499 ' O ' HG13 ' B' ' 100' ' ' ILE . 2.2 m-85 -69.89 -41.83 74.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.45 179.212 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 47.0 ttt-85 -64.93 -41.7 95.31 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.537 -179.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -59.56 -40.09 86.18 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.374 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 99' ' ' GLN . . . . . 0.451 ' O ' HG23 ' B' ' 103' ' ' VAL . 47.4 tt0 -66.29 -43.09 87.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.359 -0.382 . . . . 10.0 110.998 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . 0.499 HG13 ' O ' ' B' ' 96' ' ' TYR . 77.3 mt -54.52 -45.63 70.95 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 CA-C-O 121.282 0.563 . . . . 10.0 110.696 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . 0.503 ' HB3' ' HE3' ' C' ' 184' ' ' LYS . 38.4 mtmt -59.81 -39.38 84.83 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.659 -0.7 . . . . 10.0 111.902 -179.553 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 7.3 tmm_? -74.51 -43.77 54.4 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.39 -0.368 . . . . 10.0 111.507 -179.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . 0.451 HG23 ' O ' ' B' ' 99' ' ' GLN . 93.0 t -61.66 -45.97 97.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.1 -0.5 . . . . 10.0 112.185 -179.451 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . 0.479 ' HD2' ' HE2' ' B' ' 78' ' ' PHE . 26.8 mtpp -85.72 -7.24 58.91 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.937 0.347 . . . . 10.0 111.937 -179.019 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 4.3 t70 59.6 50.66 7.08 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 123.695 0.622 . . . . 10.0 111.44 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 58.0 m -156.56 131.89 9.29 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.016 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -73.62 -28.32 61.74 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.302 -0.629 . . . . 10.0 109.302 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -90.12 119.16 30.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.315 -0.857 . . . . 10.0 111.056 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 4.6 t -133.05 112.97 13.46 Favored Pre-proline 0 C--O 1.239 0.533 0 CA-C-N 115.817 -0.628 . . . . 10.0 110.203 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.73 106.36 1.08 Allowed 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 122.512 2.141 . . . . 10.0 111.371 179.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 59.0 mtm -147.09 161.35 41.02 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.297 -179.214 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 93.4 t -133.73 134.15 56.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.153 -0.684 . . . . 10.0 109.153 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' B' ' 113' ' ' LEU . 13.3 tp -77.53 124.85 28.45 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.997 -0.371 . . . . 10.0 109.997 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 95.7 t -120.53 122.87 69.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.308 -0.405 . . . . 10.0 111.136 -179.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -114.36 111.36 2.56 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 110.304 -1.118 . . . . 10.0 110.304 178.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 116' ' ' ASN . . . . . 0.575 ' HA ' ' O ' ' B' ' 144' ' ' THR . 63.4 t30 -97.81 165.22 12.05 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.576 0.227 . . . . 10.0 110.768 -179.149 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . 0.457 ' HB3' HD12 ' B' ' 120' ' ' LEU . 53.6 mttt 72.28 28.42 2.38 Favored 'General case' 0 C--O 1.232 0.17 0 N-CA-C 112.734 0.642 . . . . 10.0 112.734 179.21 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 79.3 m -65.89 -15.88 63.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.948 0.404 . . . . 10.0 111.517 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -82.85 -3.12 56.42 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.159 -0.473 . . . . 10.0 111.492 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . 0.457 HD12 ' HB3' ' B' ' 117' ' ' LYS . 17.7 mt -79.82 142.09 56.2 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.418 -0.355 . . . . 10.0 110.104 178.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -74.94 141.29 26.63 Favored 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 122.535 2.157 . . . . 10.0 112.359 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 16.5 m 58.32 78.42 0.25 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.522 -0.763 . . . . 10.0 112.536 179.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 12.6 ptp180 -87.2 137.83 32.01 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.451 -0.341 . . . . 10.0 110.249 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 10.5 m -75.15 -53.48 8.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.653 0.263 . . . . 10.0 110.467 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 60.9 t -81.52 103.21 8.28 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 N-CA-C 109.726 -0.472 . . . . 10.0 109.726 179.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -75.18 164.2 26.73 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.827 -0.624 . . . . 10.0 110.479 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . 0.576 HG22 ' HE2' ' B' ' 141' ' ' PHE . 0.0 OUTLIER -65.06 -39.62 93.53 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 112.355 0.502 . . . . 10.0 112.355 -179.141 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 39.6 pttt -52.24 -48.64 65.07 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 113.732 1.012 . . . . 10.0 113.732 -178.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.56 -42.36 95.73 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.06 0.393 . . . . 10.0 112.06 -179.301 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -71.15 -36.87 72.22 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.223 -0.444 . . . . 10.0 111.09 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . 0.461 ' HB3' ' NH1' ' C' ' 161' ' ' ARG . 94.9 mt-30 -66.36 -47.88 71.98 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.307 -0.406 . . . . 10.0 111.154 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -64.36 -35.66 81.59 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.786 0.327 . . . . 10.0 110.759 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 18.6 tp -65.7 -42.07 91.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.161 0.505 . . . . 10.0 110.263 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.83 -31.15 71.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.773 -0.649 . . . . 10.0 110.58 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -60.77 -42.42 97.45 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.682 -0.69 . . . . 10.0 110.685 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 17.0 m -67.91 -28.8 67.81 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.061 0.458 . . . . 10.0 111.903 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -85.64 -24.16 27.2 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.413 -0.358 . . . . 10.0 111.249 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 84.68 34.6 15.5 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.965 -0.636 . . . . 10.0 111.582 -179.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 47.1 pt -128.53 158.05 73.0 Favored Pre-proline 0 C--N 1.327 -0.389 0 N-CA-C 110.182 -0.303 . . . . 10.0 110.182 -179.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -87.55 157.95 7.85 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.525 2.15 . . . . 10.0 112.122 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 141' ' ' PHE . . . . . 0.576 ' HE2' HG22 ' B' ' 127' ' ' THR . 45.2 t80 -133.86 114.13 12.99 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.957 -0.565 . . . . 10.0 109.795 179.455 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 40.2 mt -117.53 130.42 72.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.506 -0.316 . . . . 10.0 110.399 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -65.01 136.18 56.48 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 108.896 -0.779 . . . . 10.0 108.896 178.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 144' ' ' THR . . . . . 0.575 ' O ' ' HA ' ' B' ' 116' ' ' ASN . 26.0 m -130.23 147.19 51.93 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.366 0.603 . . . . 10.0 112.476 -177.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 40.0 t -143.63 102.64 3.96 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.897 -0.779 . . . . 10.0 108.897 177.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 146' ' ' ALA . . . . . 0.413 ' HB1' ' HG3' ' B' ' 22' ' ' GLN . . . -68.66 -32.39 72.18 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.069 0.461 . . . . 10.0 110.205 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 31.1 tttp -54.71 -41.75 70.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.463 -0.79 . . . . 10.0 111.916 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.82 11.7 24.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.421 . . . . 10.0 111.817 -179.241 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 50.5 60.28 3.96 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.389 0.614 . . . . 10.0 111.476 -179.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -130.61 119.76 22.98 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.82 -0.627 . . . . 10.0 111.375 -178.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 80.77 -4.8 67.76 Favored Glycine 0 C--O 1.229 -0.188 0 C-N-CA 121.195 -0.526 . . . . 10.0 113.214 178.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 31.6 t -63.59 -55.95 19.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.064 0.459 . . . . 10.0 110.822 -179.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -63.34 -39.59 94.96 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.748 -0.66 . . . . 10.0 111.673 -179.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -57.99 -52.14 66.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.152 -179.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.23 -43.91 95.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 10.0 111.702 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -61.2 -42.96 99.51 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.121 -0.491 . . . . 10.0 111.344 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 21.8 m-30 -67.82 -42.54 81.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.344 -0.389 . . . . 10.0 110.264 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 158' ' ' THR . . . . . 0.441 ' O ' ' HG2' ' B' ' 162' ' ' GLU . 94.2 m -60.4 -39.84 88.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.092 -0.504 . . . . 10.0 111.167 179.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 159' ' ' LEU . . . . . 0.436 HD22 HD13 ' B' ' 79' ' ' LEU . 20.9 tp -57.13 -46.49 82.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.096 0.474 . . . . 10.0 111.09 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 53.6 t -74.05 -34.77 39.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.258 0.551 . . . . 10.0 110.409 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 161' ' ' ARG . . . . . 0.474 ' HD3' ' OD2' ' B' ' 47' ' ' ASP . 10.3 ttp180 -62.05 -41.73 98.45 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.637 -0.71 . . . . 10.0 111.293 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 162' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' B' ' 158' ' ' THR . 35.9 mm-40 -61.4 -35.82 78.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.783 0.325 . . . . 10.0 110.924 179.293 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 66.2 mt -66.58 -41.53 88.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 109.707 -0.479 . . . . 10.0 109.707 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 38.0 ttm105 -70.27 -32.56 70.44 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.077 -0.511 . . . . 10.0 110.082 179.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 165' ' ' LYS . . . . . 0.484 ' O ' ' HG2' ' B' ' 169' ' ' LYS . 35.1 ttmt -63.22 -42.97 99.34 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.895 -0.593 . . . . 10.0 109.949 179.143 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -59.07 -37.44 77.06 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.052 -0.522 . . . . 10.0 111.05 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 76.2 mttt -62.34 -48.23 80.73 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.967 0.413 . . . . 10.0 110.406 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -64.48 -42.28 95.97 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.671 -0.695 . . . . 10.0 111.149 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 169' ' ' LYS . . . . . 0.484 ' HG2' ' O ' ' B' ' 165' ' ' LYS . 28.4 mmmt -69.18 -29.23 67.18 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.622 -179.324 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 67.0 mmm -74.36 -9.09 58.25 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.797 0.332 . . . . 10.0 111.87 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 11.1 m -87.04 -29.04 22.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.366 0.603 . . . . 10.0 110.366 179.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -96.47 -33.18 11.96 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.697 -0.683 . . . . 10.0 109.761 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 173' ' ' ASP . . . . . 0.579 ' CG ' ' H ' ' B' ' 174' ' ' GLY 0.337 2.6 p-10 41.39 -110.72 0.13 Allowed 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 114.908 1.448 . . . . 10.0 114.908 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 174' ' ' GLY . . . . . 0.579 ' H ' ' CG ' ' B' ' 173' ' ' ASP . . . -153.15 -48.87 0.02 OUTLIER Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.765 -0.731 . . . . 10.0 112.203 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 175' ' ' LYS . . . . . 0.499 ' HG3' ' O ' ' B' ' 174' ' ' GLY . 7.1 mttp -161.35 170.87 19.28 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.51 -0.181 . . . . 10.0 110.51 -178.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 176' ' ' LYS . . . . . 0.586 ' HA ' ' H32' ' B' ' 203' ' ' PCW . 3.4 tmtm? 72.54 -47.78 0.67 Allowed 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 112.573 0.583 . . . . 10.0 112.573 179.357 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 177' ' ' LYS . . . . . 0.501 ' HB2' ' OD2' ' B' ' 173' ' ' ASP . 36.5 mtmm -90.16 -92.04 0.13 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 119.506 -0.283 . . . . 10.0 110.933 179.612 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? 59.25 106.94 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.261 0 O-C-N 123.78 0.675 . . . . 10.0 111.949 -179.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 179' ' ' LYS . . . . . 0.524 ' HA ' ' HE3' ' B' ' 179' ' ' LYS . 0.0 OUTLIER -71.21 75.08 0.7 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.48 0.657 . . . . 10.0 112.415 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 43.4 mmtt -146.12 105.48 3.93 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.35 -0.841 . . . . 10.0 108.852 178.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -129.35 88.77 2.74 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.382 -0.372 . . . . 10.0 110.261 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 182' ' ' LYS . . . . . 0.429 ' HA ' ' HD2' ' B' ' 182' ' ' LYS . 19.3 tptt -114.9 116.42 28.51 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.587 -0.279 . . . . 10.0 111.006 -179.618 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.46 -57.64 4.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.237 0.541 . . . . 10.0 110.003 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 184' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt . . . . . 0 C--N 1.325 -0.486 0 CA-C-N 115.582 -0.735 . . . . 10.0 110.456 179.818 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 121.059 0.457 . . . . 10.0 110.973 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 2' ' ' THR . . . . . 0.502 ' HB ' ' CE2' ' C' ' 4' ' ' TYR . 0.0 OUTLIER -77.23 130.12 36.82 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.674 -179.563 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -97.67 134.97 40.14 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.354 -0.385 . . . . 10.0 110.201 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 4' ' ' TYR . . . . . 0.502 ' CE2' ' HB ' ' C' ' 2' ' ' THR . 95.8 m-85 -126.18 117.67 23.6 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.287 -0.415 . . . . 10.0 109.949 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 5' ' ' LYS . . . . . 0.567 ' HA ' ' HB3' ' C' ' 54' ' ' ASP . 51.5 mttm -82.41 114.56 20.94 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.067 -0.515 . . . . 10.0 111.323 -179.358 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . 0.634 HD22 ' HG ' ' C' ' 159' ' ' LEU . 11.5 mt -110.71 117.24 32.94 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.595 -0.729 . . . . 10.0 110.758 -178.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . 0.412 HG12 HG13 ' C' ' 9' ' ' VAL . 48.0 t -102.54 117.67 48.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 120.743 0.306 . . . . 10.0 110.884 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.601 HG12 ' HD2' ' C' ' 16' ' ' LYS . 24.6 t -87.61 111.67 22.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 109.507 -0.553 . . . . 10.0 109.507 179.576 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . 0.412 HG13 HG12 ' C' ' 7' ' ' VAL . 11.7 m -119.54 154.98 22.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.433 -0.349 . . . . 10.0 111.137 -179.202 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 154.72 -176.2 32.55 Favored Glycine 0 N--CA 1.443 -0.873 0 N-CA-C 110.889 -0.884 . . . . 10.0 110.889 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.1 -173.3 1.25 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.029 0.442 . . . . 10.0 111.753 -179.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -97.62 143.86 27.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 13' ' ' GLY . . . . . 0.947 ' HA2' H5'1 ' C' ' 201' ' ' GSP . . . 68.57 26.22 74.52 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.864 -0.684 . . . . 10.0 112.678 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 26.8 m -99.41 -12.19 8.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 111.983 0.364 . . . . 10.0 111.983 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . 0.672 ' HA2' ' H8 ' ' C' ' 201' ' ' GSP . . . 105.33 23.38 7.66 Favored Glycine 0 CA--C 1.516 0.097 0 C-N-CA 120.825 -0.702 . . . . 10.0 113.246 179.509 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . 0.601 ' HD2' HG12 ' C' ' 8' ' ' VAL . 12.4 mtmm -62.0 -42.5 99.22 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.981 0.42 . . . . 10.0 111.937 -179.535 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 17' ' ' SER . . . . . 0.457 ' OG ' ' O3G' ' C' ' 201' ' ' GSP . 46.1 m -85.45 -34.91 21.55 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.323 -0.399 . . . . 10.0 111.29 -178.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.82 -43.72 90.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.015 0.436 . . . . 10.0 110.252 179.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 19' ' ' LEU . . . . . 0.531 HD23 HG13 ' C' ' 152' ' ' VAL . 0.9 OUTLIER -61.3 -49.62 76.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.78 -0.646 . . . . 10.0 110.535 179.337 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 4.5 m -64.06 -45.93 86.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.859 -0.61 . . . . 10.0 112.368 -179.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 97.4 mt -62.76 -37.72 79.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 CA-C-O 120.786 0.327 . . . . 10.0 110.996 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 22' ' ' GLN . . . . . 0.576 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 8.2 mm-40 -65.34 -16.7 63.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.903 0.382 . . . . 10.0 110.703 179.124 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.411 ' HA ' HH21 ' C' ' 149' ' ' ARG . 2.6 tp -98.7 -42.97 6.99 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.954 0.407 . . . . 10.0 110.931 179.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 24' ' ' ILE . . . . . 0.483 HD11 HD12 ' C' ' 55' ' ' ILE . 50.8 mm -74.07 -58.94 3.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.842 -0.617 . . . . 10.0 112.092 -179.001 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -95.88 -17.67 20.92 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.646 0.26 . . . . 10.0 111.558 -179.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 26' ' ' ASN . . . . . 0.576 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 3.5 t-20 67.99 49.2 0.91 Allowed 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 113.496 0.924 . . . . 10.0 113.496 177.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 9.1 p80 -153.17 151.76 30.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.488 -0.324 . . . . 10.0 110.345 178.221 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -92.5 131.4 37.67 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.384 0.611 . . . . 10.0 111.806 -179.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 21.3 t -97.13 114.79 35.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.607 -0.724 . . . . 10.0 109.074 178.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -72.35 -33.29 67.17 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.338 -0.392 . . . . 10.0 110.603 -179.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -79.45 161.22 26.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 10.0 111.367 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 32' ' ' TYR . . . . . 0.824 ' CD1' H5'2 ' C' ' 201' ' ' GSP . 33.0 t80 -106.0 120.36 41.56 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.344 -0.389 . . . . 10.0 110.312 179.496 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . 0.429 ' OD2' HG23 ' C' ' 35' ' ' THR . 24.3 t70 -114.12 111.75 47.41 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 116.467 -0.333 . . . . 10.0 111.271 179.523 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -72.74 78.06 2.15 Favored 'Trans proline' 0 N--CA 1.461 -0.398 0 C-N-CA 122.828 2.352 . . . . 10.0 111.005 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 35' ' ' THR . . . . . 0.429 HG23 ' OD2' ' C' ' 33' ' ' ASP . 0.0 OUTLIER -71.34 121.9 19.34 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.673 -0.694 . . . . 10.0 111.288 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 43.5 mm -71.31 -46.56 64.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 O-C-N 123.7 0.625 . . . . 10.0 110.007 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -166.83 101.67 0.56 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.329 -0.851 . . . . 10.0 109.295 -179.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -119.34 115.33 23.9 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.842 0.353 . . . . 10.0 111.597 -178.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.25 145.37 24.72 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.269 179.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -138.03 140.41 40.09 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.41 -0.359 . . . . 10.0 110.28 179.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . 0.487 ' HA ' ' O ' ' C' ' 53' ' ' LEU . 0.9 OUTLIER -118.05 136.61 53.44 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.871 -179.849 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 42' ' ' LYS . . . . . 0.502 ' HB3' HD12 ' C' ' 53' ' ' LEU . 40.0 tttp -151.52 125.41 9.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.342 -0.39 . . . . 10.0 110.532 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -98.4 115.35 28.3 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.517 -0.549 . . . . 10.0 109.517 179.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 2.0 m -135.5 164.44 32.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.95 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 68.9 t -103.47 104.25 16.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 109.473 -0.566 . . . . 10.0 109.473 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 34.4 mt -112.8 131.31 64.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.719 -0.673 . . . . 10.0 109.513 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 61.97 20.31 11.44 Favored 'General case' 0 C--N 1.328 -0.33 0 O-C-N 123.675 0.61 . . . . 10.0 110.279 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.84 7.63 85.45 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.935 -0.65 . . . . 10.0 111.99 -178.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -115.2 127.1 55.3 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.782 0.325 . . . . 10.0 110.625 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -68.88 114.5 7.25 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.705 -0.85 . . . . 10.0 108.705 178.359 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 18.2 m -121.56 148.19 44.83 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.056 0.455 . . . . 10.0 111.866 -178.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 65.4 tp -107.67 120.52 42.46 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 108.564 -0.902 . . . . 10.0 108.564 178.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . 0.502 HD12 ' HB3' ' C' ' 42' ' ' LYS . 22.0 mt -88.19 120.6 29.7 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 112.484 0.55 . . . . 10.0 112.484 -178.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . 0.567 ' HB3' ' HA ' ' C' ' 5' ' ' LYS . 28.4 t70 -106.65 74.65 1.02 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 106.918 -1.512 . . . . 10.0 106.918 177.141 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 55' ' ' ILE . . . . . 0.483 HD12 HD11 ' C' ' 24' ' ' ILE . 8.5 mt -79.4 143.55 12.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.397 -0.82 . . . . 10.0 112.394 -177.258 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 24.9 tp -133.14 107.59 8.29 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.596 -0.729 . . . . 10.0 110.697 179.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -86.86 116.75 25.14 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.275 -0.639 . . . . 10.0 109.275 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 70.6 p -105.8 174.18 5.99 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.02 0.378 . . . . 10.0 112.02 -178.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -94.8 140.06 30.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.413 -0.358 . . . . 10.0 110.118 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -111.48 36.54 4.14 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.577 -0.82 . . . . 10.0 112.376 -179.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -103.27 22.49 14.04 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.981 0.42 . . . . 10.0 110.814 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 62' ' ' GLU . . . . . 0.484 ' HB3' ' H ' ' C' ' 63' ' ' GLU . 34.7 mm-40 59.62 -154.82 0.36 Allowed 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.373 -0.83 . . . . 10.0 111.755 -179.539 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 63' ' ' GLU . . . . . 0.484 ' H ' ' HB3' ' C' ' 62' ' ' GLU . 0.7 OUTLIER 73.7 -46.77 0.64 Allowed 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.29 0.636 . . . . 10.0 112.069 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 64' ' ' TYR . . . . . 0.764 ' HB3' ' HB3' ' C' ' 67' ' ' MET . 51.6 m-85 -76.19 65.79 2.22 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.253 0.464 . . . . 10.0 112.253 -179.05 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.87 -40.87 62.92 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 121.037 0.446 . . . . 10.0 110.218 179.108 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -77.46 -40.24 43.89 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.92 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 67' ' ' MET . . . . . 0.764 ' HB3' ' HB3' ' C' ' 64' ' ' TYR . 19.1 ttt -63.61 -38.32 90.67 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.325 0.584 . . . . 10.0 110.087 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 68' ' ' ARG . . . . . 0.612 ' HA ' ' CZ ' ' C' ' 71' ' ' TYR . 22.8 ttp180 -62.36 -34.93 77.62 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.862 -0.608 . . . . 10.0 110.52 179.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 69' ' ' ASP . . . . . 0.42 ' OD1' HG22 ' C' ' 103' ' ' VAL . 8.6 t70 -70.41 -23.84 62.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.514 -0.766 . . . . 10.0 111.154 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -81.12 -56.32 4.17 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.652 0.612 . . . . 10.0 112.652 -179.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 71' ' ' TYR . . . . . 0.612 ' CZ ' ' HA ' ' C' ' 68' ' ' ARG . 5.2 p90 -66.48 -23.54 66.28 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 113.033 0.753 . . . . 10.0 113.033 -178.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 72' ' ' MET . . . . . 0.476 ' HA ' ' HE1' ' C' ' 78' ' ' PHE . 41.7 mtt -78.32 -8.56 58.55 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.409 0.623 . . . . 10.0 110.671 178.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 16.4 ttm180 -86.61 -49.64 7.38 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.095 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -75.57 -32.06 60.25 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.248 0.462 . . . . 10.0 112.248 -179.293 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.39 144.37 47.34 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 121.091 -0.576 . . . . 10.0 113.188 -179.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -101.13 -62.49 1.24 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.901 0.382 . . . . 10.0 110.147 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -97.4 129.48 9.91 Favored Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 111.105 -0.798 . . . . 10.0 111.105 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 78' ' ' PHE . . . . . 0.476 ' HE1' ' HA ' ' C' ' 72' ' ' MET . 93.4 m-85 -107.62 126.48 52.62 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.008 0.432 . . . . 10.0 111.522 -179.091 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . 0.749 HD13 HD22 ' C' ' 159' ' ' LEU . 14.5 tp -97.88 104.54 16.58 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.587 -0.733 . . . . 10.0 109.644 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 80' ' ' CYS . . . . . 0.47 ' HB3' HD12 ' C' ' 93' ' ' ILE . 1.7 m -84.49 88.53 7.31 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.366 -0.379 . . . . 10.0 110.108 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 57.2 t -92.67 116.57 34.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.046 0.45 . . . . 10.0 110.925 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 82' ' ' PHE . . . . . 0.858 ' HB2' ' HB2' ' C' ' 89' ' ' SER . 7.2 p90 -132.22 145.55 51.4 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.008 -0.542 . . . . 10.0 110.63 179.148 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 83' ' ' ALA . . . . . 0.607 ' HB1' ' OD1' ' C' ' 85' ' ' ASN . . . -83.56 125.31 31.66 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.52 -0.548 . . . . 10.0 109.52 179.598 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 84' ' ' ILE . . . . . 0.805 HD11 ' HA ' ' C' ' 118' ' ' CYS . 8.9 pt -70.15 -12.41 16.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 112.087 0.403 . . . . 10.0 112.087 -179.227 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 85' ' ' ASN . . . . . 0.607 ' OD1' ' HB1' ' C' ' 83' ' ' ALA . 18.6 p-10 -91.96 -5.65 52.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.053 -0.522 . . . . 10.0 110.613 179.205 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -123.3 112.65 17.87 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.075 0.465 . . . . 10.0 110.066 179.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.3 -31.31 72.43 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.787 -0.642 . . . . 10.0 112.136 -179.135 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 23.0 tptp -61.05 -39.35 89.49 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.23 0.456 . . . . 10.0 112.23 -179.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . 0.858 ' HB2' ' HB2' ' C' ' 82' ' ' PHE . 0.0 OUTLIER -62.93 -36.83 84.7 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.675 0.274 . . . . 10.0 111.253 179.867 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 90' ' ' PHE . . . . . 0.555 ' HB2' HG21 ' C' ' 125' ' ' VAL . 67.2 t80 -66.47 -39.78 88.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.466 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -67.88 -42.2 81.62 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.396 179.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -63.02 -24.03 67.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.596 -0.729 . . . . 10.0 112.477 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 93' ' ' ILE . . . . . 0.612 HD11 ' HB3' ' C' ' 82' ' ' PHE . 23.5 mm -57.71 -45.63 86.79 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-O 120.917 0.389 . . . . 10.0 110.653 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 65.9 t60 -65.83 -47.93 73.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.181 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -57.57 -41.44 81.09 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.819 -0.628 . . . . 10.0 111.229 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 9.9 m-30 -70.2 -37.26 75.06 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.642 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 97' ' ' ARG . . . . . 0.449 ' HG3' ' SD ' ' C' ' 111' ' ' MET . 28.0 ttt-85 -65.72 -41.0 92.79 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 120.957 0.408 . . . . 10.0 110.474 179.223 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -59.42 -39.12 82.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.568 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 99' ' ' GLN . . . . . 0.525 ' O ' HG23 ' C' ' 103' ' ' VAL . 5.3 tt0 -66.4 -45.33 80.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.107 179.095 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 95.7 mt -55.57 -47.75 78.36 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.599 179.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 101' ' ' LYS . . . . . 0.414 ' HD2' ' HA ' ' C' ' 107' ' ' GLU . 10.9 mtmt -60.85 -35.45 76.61 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.658 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 5.8 tmm_? -71.43 -46.28 60.49 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.894 -0.593 . . . . 10.0 110.935 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 103' ' ' VAL . . . . . 0.525 HG23 ' O ' ' C' ' 99' ' ' GLN . 99.4 t -61.63 -49.66 83.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.048 -0.523 . . . . 10.0 111.497 -179.111 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 17.1 mtpp -87.18 -6.47 58.61 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.638 0.607 . . . . 10.0 112.638 -178.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 22.7 t0 52.24 45.48 28.34 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.228 0.611 . . . . 10.0 111.932 -179.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 67.2 m -150.59 145.75 26.11 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.258 -0.883 . . . . 10.0 109.816 179.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 107' ' ' GLU . . . . . 0.414 ' HA ' ' HD2' ' C' ' 101' ' ' LYS . 17.9 tp10 -86.01 -43.25 13.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.117 0.484 . . . . 10.0 110.068 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -78.7 97.91 6.04 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.472 -0.785 . . . . 10.0 110.758 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 109' ' ' VAL . . . . . 0.439 ' HA ' ' HD3' ' C' ' 110' ' ' PRO . 72.1 t -129.24 130.55 23.37 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 115.899 -0.591 . . . . 10.0 110.502 -179.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 110' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' C' ' 109' ' ' VAL . 26.6 Cg_exo -63.05 107.06 0.59 Allowed 'Trans proline' 0 C--O 1.236 0.379 0 C-N-CA 122.815 2.343 . . . . 10.0 111.432 179.357 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 111' ' ' MET . . . . . 0.449 ' SD ' ' HG3' ' C' ' 97' ' ' ARG . 6.3 mtm -132.99 151.3 52.09 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.576 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 112' ' ' VAL . . . . . 0.507 HG21 ' HA ' ' C' ' 159' ' ' LEU . 46.3 t -128.67 115.53 37.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.069 -0.514 . . . . 10.0 109.739 179.556 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 18.9 tp -82.56 112.29 19.33 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.578 -0.527 . . . . 10.0 109.578 179.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 114' ' ' VAL . . . . . 0.423 HG23 HG12 ' C' ' 112' ' ' VAL . 59.9 t -115.37 124.2 71.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 116.031 -0.531 . . . . 10.0 111.705 -178.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -99.58 113.47 4.73 Favored Glycine 0 N--CA 1.441 -0.985 0 N-CA-C 109.669 -1.373 . . . . 10.0 109.669 178.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 116' ' ' ASN . . . . . 0.543 ' ND2' ' HA3' ' C' ' 15' ' ' GLY . 65.3 t30 -98.71 164.63 12.15 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 117.17 0.485 . . . . 10.0 111.153 -178.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 117' ' ' LYS . . . . . 0.504 ' HE2' ' C4 ' ' C' ' 201' ' ' GSP . 99.6 mttt 66.45 32.43 7.48 Favored 'General case' 0 C--O 1.233 0.227 0 O-C-N 123.757 0.66 . . . . 10.0 111.426 179.74 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 118' ' ' CYS . . . . . 0.805 ' HA ' HD11 ' C' ' 84' ' ' ILE . 67.8 m -73.33 -21.52 60.53 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.747 0.647 . . . . 10.0 112.747 -179.444 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 119' ' ' ASP . . . . . 0.418 ' OD2' ' HD2' ' C' ' 147' ' ' LYS . 1.5 p-10 -84.11 -3.77 58.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.791 0.329 . . . . 10.0 111.666 -179.274 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 120' ' ' LEU . . . . . 0.583 HD21 HN21 ' C' ' 201' ' ' GSP . 29.8 mt -80.34 146.89 63.05 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 116.565 -0.289 . . . . 10.0 110.269 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -70.3 132.78 23.16 Favored 'Trans proline' 0 C--O 1.237 0.454 0 C-N-CA 122.528 2.152 . . . . 10.0 112.629 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 5.1 m 71.92 112.07 0.06 Allowed 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 113.229 0.826 . . . . 10.0 113.229 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 11.0 ptp180 -113.65 138.2 50.53 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.663 -0.699 . . . . 10.0 110.236 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 3.4 p -83.55 -41.9 17.41 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.082 0.468 . . . . 10.0 110.186 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 125' ' ' VAL . . . . . 0.555 HG21 ' HB2' ' C' ' 90' ' ' PHE . 50.4 t -95.22 106.57 18.39 Favored 'Isoleucine or valine' 0 C--O 1.238 0.469 0 N-CA-C 108.725 -0.842 . . . . 10.0 108.725 178.483 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 126' ' ' ASP . . . . . 0.476 ' HB3' ' HG2' ' C' ' 129' ' ' GLN . 14.3 t70 -64.92 147.2 53.81 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.793 -0.639 . . . . 10.0 110.045 179.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.25 -39.24 69.52 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.244 -0.435 . . . . 10.0 111.265 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 128' ' ' LYS . . . . . 0.44 ' HB3' ' HA ' ' B' ' 47' ' ' ASP . 36.6 mtmm -64.6 -44.28 91.09 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.383 0.512 . . . . 10.0 112.383 -178.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 129' ' ' GLN . . . . . 0.476 ' HG2' ' HB3' ' C' ' 126' ' ' ASP . 1.7 pt20 -74.83 -26.93 60.05 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.732 0.301 . . . . 10.0 111.706 -179.359 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 130' ' ' ALA . . . . . 0.495 ' HB2' HG12 ' C' ' 125' ' ' VAL . . . -75.27 -41.33 57.5 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.387 0.613 . . . . 10.0 109.822 179.34 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -74.24 -31.69 62.69 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.728 -0.669 . . . . 10.0 111.328 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 132' ' ' ASP . . . . . 0.488 ' O ' ' HB3' ' C' ' 135' ' ' ARG . 11.1 t70 -59.81 -38.34 81.71 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.151 0.5 . . . . 10.0 110.712 179.01 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 28.4 tp -63.3 -38.83 92.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.793 -0.64 . . . . 10.0 110.334 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 134' ' ' ALA . . . . . 0.473 ' HB1' ' O ' ' C' ' 139' ' ' ILE . . . -68.9 -22.91 64.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.569 -0.741 . . . . 10.0 110.996 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 135' ' ' ARG . . . . . 0.488 ' HB3' ' O ' ' C' ' 132' ' ' ASP . 3.7 tmm_? -62.96 -46.88 85.67 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.064 -0.516 . . . . 10.0 111.166 179.513 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 71.7 m -72.53 -25.83 61.53 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.233 -0.44 . . . . 10.0 111.306 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 12.6 m-30 -78.27 -45.65 22.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.998 0.427 . . . . 10.0 110.853 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 100.95 27.32 7.47 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.775 -0.726 . . . . 10.0 112.142 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 139' ' ' ILE . . . . . 0.473 ' O ' ' HB1' ' C' ' 134' ' ' ALA . 28.6 pt -125.77 148.91 63.96 Favored Pre-proline 0 C--N 1.328 -0.345 0 N-CA-C 110.31 -0.256 . . . . 10.0 110.31 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 140' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' C' ' 139' ' ' ILE . 6.4 Cg_exo -75.68 147.17 31.12 Favored 'Trans proline' 0 CA--C 1.534 0.52 0 C-N-CA 123.049 2.5 . . . . 10.0 112.318 179.667 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 141' ' ' PHE . . . . . 0.464 ' HE1' ' HE2' ' C' ' 82' ' ' PHE . 69.8 t80 -112.82 137.91 50.45 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.658 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 142' ' ' ILE . . . . . 0.435 ' CD1' ' HA ' ' C' ' 155' ' ' ALA . 22.2 mt -131.68 133.05 61.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.461 -0.336 . . . . 10.0 110.754 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -88.23 140.18 29.74 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.889 -0.782 . . . . 10.0 108.889 177.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 38.9 p -139.19 174.93 10.0 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.529 0.68 . . . . 10.0 112.358 -178.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 8.2 t -159.15 121.57 3.54 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.906 -1.043 . . . . 10.0 108.837 178.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 146' ' ' ALA . . . . . 0.401 ' HB3' ' C5 ' ' C' ' 201' ' ' GSP . . . -79.02 -25.67 43.25 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 109.679 -0.489 . . . . 10.0 109.679 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 147' ' ' LYS . . . . . 0.583 ' HE3' HN21 ' C' ' 201' ' ' GSP . 36.5 ttmt -70.76 -48.37 54.73 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.506 -0.77 . . . . 10.0 111.679 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 37.7 p -95.26 -5.23 44.16 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 113.156 0.798 . . . . 10.0 113.156 -178.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 149' ' ' ARG . . . . . 0.435 ' HG2' ' CD ' ' C' ' 22' ' ' GLN . 0.0 OUTLIER 61.66 54.18 3.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.026 0.441 . . . . 10.0 111.377 -179.715 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -120.73 140.41 51.69 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.317 -0.401 . . . . 10.0 110.892 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 80.42 -18.91 7.61 Favored Glycine 0 C--O 1.228 -0.268 0 N-CA-C 114.827 0.691 . . . . 10.0 114.827 178.045 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 152' ' ' VAL . . . . . 0.531 HG13 HD23 ' C' ' 19' ' ' LEU . 97.4 t -55.03 -47.65 76.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 117.353 0.576 . . . . 10.0 112.38 -179.012 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.08 -51.37 69.44 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.857 -179.522 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -60.91 -45.2 95.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.972 -0.558 . . . . 10.0 112.399 -179.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 155' ' ' ALA . . . . . 0.435 ' HA ' ' CD1' ' C' ' 142' ' ' ILE . . . -57.37 -53.09 62.05 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.216 -0.447 . . . . 10.0 112.111 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -66.3 -36.93 84.21 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.125 0.416 . . . . 10.0 112.125 -179.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -67.76 -42.63 81.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.808 0.337 . . . . 10.0 110.984 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 75.1 m -68.45 -31.84 71.42 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.338 -0.392 . . . . 10.0 111.452 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 159' ' ' LEU . . . . . 0.749 HD22 HD13 ' C' ' 79' ' ' LEU . 53.7 tp -59.78 -42.69 93.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.917 0.389 . . . . 10.0 110.393 179.149 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 90.8 t -70.24 -37.36 71.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.91 -0.586 . . . . 10.0 109.799 179.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 161' ' ' ARG . . . . . 0.461 ' NH1' ' HB3' ' B' ' 131' ' ' GLN . 6.4 ttp-105 -61.11 -37.67 83.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.517 -0.765 . . . . 10.0 110.599 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -63.3 -35.95 82.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.95 179.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 54.9 mt -68.01 -40.22 82.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 109.413 -0.588 . . . . 10.0 109.413 178.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 31.3 mtp180 -63.97 -39.77 94.89 Favored 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 108.906 -0.776 . . . . 10.0 108.906 178.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -61.99 -40.92 97.28 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.043 -0.98 . . . . 10.0 109.823 178.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 166' ' ' HIS . . . . . 0.407 ' HB2' ' HG3' ' C' ' 110' ' ' PRO . 44.5 t-80 -62.48 -45.79 91.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.296 -0.411 . . . . 10.0 110.467 179.468 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -57.9 -47.25 83.36 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.273 179.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -65.02 -50.8 64.86 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.823 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 2.3 ttpt -56.67 -43.94 80.91 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.536 -0.756 . . . . 10.0 112.218 -179.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 84.6 mmm -72.13 -20.61 61.59 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.764 0.653 . . . . 10.0 112.764 -179.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 69.3 m -79.59 -15.7 57.19 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.196 0.522 . . . . 10.0 110.307 178.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 22.4 mtpt -114.58 -1.86 13.27 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.619 -0.718 . . . . 10.0 109.645 179.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 173' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 70.82 -63.37 0.42 Allowed 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.454 -0.794 . . . . 10.0 111.312 -178.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . -165.54 -107.69 0.2 Allowed Glycine 0 N--CA 1.443 -0.884 0 N-CA-C 109.926 -1.269 . . . . 10.0 109.926 179.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 175' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -126.32 80.05 1.89 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.397 0.618 . . . . 10.0 110.736 178.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 176' ' ' LYS . . . . . 0.523 ' HG2' ' O4 ' ' C' ' 215' ' ' 17F . 47.9 mtmt -89.04 7.49 34.6 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.812 -0.631 . . . . 10.0 111.123 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 177' ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -85.24 106.06 16.38 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.014 -0.539 . . . . 10.0 110.675 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 178' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt -97.24 -16.25 20.45 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.972 179.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 179' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 72.67 106.07 0.07 Allowed 'General case' 0 N--CA 1.465 0.281 0 O-C-N 123.815 0.697 . . . . 10.0 112.152 179.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 180' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.63 -26.66 16.98 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.728 179.142 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 1.3 m -101.25 128.68 47.27 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.4 -0.364 . . . . 10.0 110.81 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 182' ' ' LYS . . . . . 0.734 ' HD3' ' O2P' ' C' ' 203' ' ' PCW . 0.5 OUTLIER -65.2 102.21 0.62 Allowed 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.812 -0.44 . . . . 10.0 109.812 179.704 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -109.28 -16.79 13.97 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.181 -0.463 . . . . 10.0 111.978 -179.176 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 184' ' ' LYS . . . . . 0.503 ' HE3' ' HB3' ' B' ' 101' ' ' LYS . 46.8 mttp . . . . . 0 C--N 1.321 -0.631 0 CA-C-N 116.417 -0.356 . . . . 10.0 111.047 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 401' ' ' PCW . . . . . 1.055 H182 H221 ' A' ' 401' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 402' ' ' PCW . . . . . 0.817 H342 H141 ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 403' ' ' PCW . . . . . 1.071 ' H31' ' H41' ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 404' ' ' PCW . . . . . 1.046 H411 ' H40' ' A' ' 415' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 405' ' ' PCW . . . . . 0.9 H242 H262 ' A' ' 418' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 406' ' ' PCW . . . . . 1.017 ' H11' H332 ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 407' ' ' PCW . . . . . 1.043 H321 H372 ' A' ' 410' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 408' ' ' PCW . . . . . 0.965 ' C4 ' ' H32' ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 409' ' ' PCW . . . . . 1.203 ' C19' H142 ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 410' ' ' PCW . . . . . 1.043 H372 H321 ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 411' ' ' PCW . . . . . 1.019 H283 H252 ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 412' ' ' PCW . . . . . 1.002 H371 ' H39' ' A' ' 410' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 413' ' ' PCW . . . . . 1.116 H341 H132 ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 414' ' ' PCW . . . . . 1.008 H372 H411 ' A' ' 414' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 415' ' ' 17F . . . . . 1.046 ' H40' H411 ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 416' ' ' 17F . . . . . 0.837 ' O5 ' ' H51' ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 417' ' ' PCW . . . . . 1.057 H451 H242 ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 418' ' ' PCW . . . . . 1.045 H422 H231 ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 419' ' ' PCW . . . . . 1.0 ' C39' H441 ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 420' ' ' PCW . . . . . 1.014 H432 H211 ' D' ' 611' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 421' ' ' PCW . . . . . 1.052 H162 ' H57' ' D' ' 630' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 422' ' ' 17F . . . . . 1.083 ' H8A' ' H65' ' C' ' 218' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 601' ' ' PCW . . . . . 1.12 ' H39' H151 ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 602' ' ' PCW . . . . . 1.12 H151 ' H39' ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 603' ' ' PCW . . . . . 1.024 H412 H371 ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 604' ' ' PCW . . . . . 1.026 H451 H181 ' D' ' 606' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 605' ' ' PCW . . . . . 0.964 H172 H132 ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 606' ' ' PCW . . . . . 1.044 H422 ' H31' ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 607' ' ' PCW . . . . . 1.116 ' C1 ' H372 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 608' ' ' PCW . . . . . 1.108 H141 H171 ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 609' ' ' PCW . . . . . 1.108 H171 H141 ' D' ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 610' ' ' PCW . . . . . 0.848 ' C11' ' H18' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 611' ' ' PCW . . . . . 1.014 H211 H432 ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 612' ' ' PCW . . . . . 1.051 ' H63' H321 ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 613' ' ' PCW . . . . . 1.057 H321 H132 ' D' ' 619' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 614' ' ' PCW . . . . . 1.051 H482 H211 ' D' ' 620' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 615' ' ' PCW . . . . . 0.979 H461 H421 ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 616' ' ' PCW . . . . . 1.077 H272 ' H41' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 617' ' ' PCW . . . . . 1.106 H451 H452 ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 618' ' ' PCW . . . . . 1.057 H242 H451 ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 619' ' ' PCW . . . . . 1.084 H131 H151 ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 620' ' ' PCW . . . . . 1.051 H211 H482 ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 621' ' ' PCW . . . . . 0.716 H132 ' H18' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 622' ' ' PCW . . . . . 1.065 H141 ' H6 ' ' A' ' 422' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 623' ' ' PCW . . . . . 1.104 ' C36' H322 ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 624' ' ' PCW . . . . . 1.037 H241 ' H20' ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 625' ' ' PCW . . . . . 1.082 H261 H421 ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 626' ' ' PCW . . . . . 1.116 H372 ' C1 ' ' D' ' 607' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 627' ' ' PCW . . . . . 1.084 H151 H131 ' D' ' 619' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 628' ' ' 17F . . . . . 1.036 ' H57' H19A ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 629' ' ' 17F . . . . . 0.999 ' H52' ' H66' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 630' ' ' 17F . . . . . 1.052 ' H57' H162 ' A' ' 421' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 631' ' ' 17F . . . . . 0.869 H11A ' C7 ' ' C' ' 217' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 632' ' ' 17F . . . . . 1.077 ' H41' H272 ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 201' ' ' GSP . . . . . 0.705 ' O1B' H5'1 ' B' ' 201' ' ' GSP . . . . . . . . 0 O4'--C1' 1.439 2.051 2 O4'-C1'-N19 113.425 5.225 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 202' ' ' ' MG' . . . . . 0.608 'MG ' ' O3G' ' B' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 203' ' ' PCW . . . . . 0.941 H212 ' H19' ' B' ' 209' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 204' ' ' PCW . . . . . 0.938 H421 H232 ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 205' ' ' PCW . . . . . 1.119 H232 H262 ' C' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 206' ' ' PCW . . . . . 0.965 H341 H322 ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 207' ' ' PCW . . . . . 1.131 H132 H332 ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 208' ' ' PCW . . . . . 0.971 H121 H331 ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 209' ' ' 17F . . . . . 1.02 ' H57' H19A ' B' ' 209' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 210' ' ' 17F . . . . . 0.993 ' C12' ' H41' ' B' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 211' ' ' 17F . . . . . 1.062 ' H47' H422 ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 201' ' ' GSP . . . . . 0.947 H5'1 ' HA2' ' C' ' 13' ' ' GLY . . . . . . . . 0 O4'--C1' 1.438 1.963 3 O4'-C1'-N19 112.857 4.657 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 202' ' ' ' MG' . . . . . 0.641 'MG ' ' O3G' ' C' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 203' ' ' PCW . . . . . 1.047 H132 H171 ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 204' ' ' PCW . . . . . 1.106 H452 H451 ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 205' ' ' PCW . . . . . 0.916 H171 H231 ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 206' ' ' PCW . . . . . 1.092 H152 H221 ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 207' ' ' PCW . . . . . 1.092 H221 H152 ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 208' ' ' PCW . . . . . 1.037 H251 H221 ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 209' ' ' PCW . . . . . 1.091 ' O4P' ' H32' ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 210' ' ' PCW . . . . . 1.119 H262 H232 ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 211' ' ' PCW . . . . . 1.031 H471 H272 ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 212' ' ' PCW . . . . . 1.063 H241 ' H20' ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 213' ' ' 17F . . . . . 1.079 ' H9 ' ' H61' ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 214' ' ' 17F . . . . . 1.048 ' H60' H321 ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 215' ' ' 17F . . . . . 0.802 ' H42' H461 ' B' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 216' ' ' PCW . . . . . 1.073 H442 H341 ' C' ' 217' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 217' ' ' PCW . . . . . 1.073 H341 H442 ' C' ' 216' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 218' ' ' 17F . . . . . 1.222 H18A ' O7 ' ' C' ' 218' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 219' ' ' 17F . . . . . 1.107 ' H9 ' ' C18' ' C' ' 219' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 96.1 mt . . . . . 0 N--CA 1.461 0.116 0 CA-C-O 120.63 0.252 . . . . 10.0 110.836 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 6.6 tmtm? -58.6 -40.27 82.76 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.977 0.418 . . . . 10.0 111.659 -179.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 81.9 mt -71.25 -25.72 62.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.307 -0.406 . . . . 10.0 111.95 -179.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 72.5 mt -85.98 -40.13 16.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.908 0.385 . . . . 10.0 110.478 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -60.14 -46.72 88.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.749 -0.66 . . . . 10.0 110.327 178.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 206' ' ' ASN . . . . . 0.404 ' HA ' HD22 ' A' ' 206' ' ' ASN . 9.8 m120 -68.24 -30.88 70.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.552 -0.749 . . . . 10.0 111.127 179.631 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 9.6 t90 -65.68 -35.1 79.81 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 116.232 -0.44 . . . . 10.0 110.408 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -62.9 -40.56 97.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.382 -0.372 . . . . 10.0 110.685 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 1.4 m -64.0 -33.95 76.89 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.143 0.496 . . . . 10.0 109.809 178.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 59.3 t -72.93 -44.04 58.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 109.34 -0.615 . . . . 10.0 109.34 178.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 19.3 m -60.66 -44.53 96.32 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.606 -0.724 . . . . 10.0 111.176 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 2.2 p -63.54 -40.09 96.1 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.927 -0.397 . . . . 10.0 109.927 179.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 72.4 m -64.08 -42.0 97.1 Favored 'General case' 0 CA--C 1.529 0.156 0 N-CA-C 109.282 -0.636 . . . . 10.0 109.282 178.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 214' ' ' PHE . . . . . 0.554 ' HE1' H162 ' A' ' 405' ' ' PCW . 0.5 OUTLIER -60.48 -45.71 92.74 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.394 178.592 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 16.7 m -60.05 -51.99 67.28 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.651 -0.704 . . . . 10.0 110.467 179.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -59.44 -41.73 90.26 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.274 -0.421 . . . . 10.0 111.131 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 217' ' ' LEU . . . . . 0.569 ' O ' ' HG ' ' A' ' 221' ' ' LEU . 18.2 mt -65.81 -44.51 85.43 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.598 179.651 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 218' ' ' ARG . . . . . 0.454 ' HA ' HD12 ' A' ' 221' ' ' LEU . 80.1 mtt180 -64.7 -41.84 95.72 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.534 -0.303 . . . . 10.0 111.299 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -65.24 -28.97 69.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.996 0.427 . . . . 10.0 110.771 179.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 220' ' ' GLN . . . . . 0.453 ' O ' HG23 ' A' ' 224' ' ' VAL . 8.1 tp-100 -85.28 -23.48 28.14 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.972 -0.558 . . . . 10.0 109.912 178.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 221' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' A' ' 217' ' ' LEU . 37.3 mt -61.42 -31.41 71.34 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.352 179.19 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -57.16 -65.37 3.62 Favored Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 110.932 -0.867 . . . . 10.0 110.932 178.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 223' ' ' PRO . . . . . 0.48 ' O ' ' HG3' ' A' ' 227' ' ' GLU . 62.9 Cg_exo -55.47 -38.75 93.71 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.518 2.145 . . . . 10.0 111.1 177.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 224' ' ' VAL . . . . . 0.458 HG22 ' HD3' ' D' ' 550' ' ' LYS . 44.8 t -57.99 -52.88 52.75 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.152 0 CA-C-N 116.63 -0.259 . . . . 10.0 110.917 179.539 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 8.5 p -65.9 -36.58 83.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.737 0.303 . . . . 10.0 110.85 -179.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -62.52 -52.54 63.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.7 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 227' ' ' GLU . . . . . 0.48 ' HG3' ' O ' ' A' ' 223' ' ' PRO . 24.9 mt-10 -66.17 -39.8 90.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.797 179.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -63.22 -43.33 98.41 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.968 -0.56 . . . . 10.0 109.912 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -66.97 -37.62 84.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.794 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -59.97 -45.79 91.54 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.598 0.713 . . . . 10.0 109.198 178.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -67.43 -39.93 85.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.043 -0.981 . . . . 10.0 109.528 178.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 24.1 mt -60.19 -41.09 92.19 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 116.101 -0.5 . . . . 10.0 110.02 179.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -64.08 -36.87 85.42 Favored 'General case' 0 C--O 1.221 -0.401 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.535 179.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 71.9 mttt -69.95 -38.76 76.22 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.969 -0.752 . . . . 10.0 108.969 178.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -63.73 -48.24 77.84 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.484 -0.78 . . . . 10.0 109.626 178.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 1.2 p -68.78 -31.73 70.96 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.22 179.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 237' ' ' GLU . . . . . 0.436 ' HG2' HE21 ' A' ' 241' ' ' GLN . 25.4 tt0 -59.81 -49.13 78.92 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 109.145 -0.687 . . . . 10.0 109.145 177.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -62.15 -42.28 99.72 Favored Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 110.53 -1.028 . . . . 10.0 110.53 178.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 239' ' ' LEU . . . . . 0.516 ' HA ' ' HB2' ' A' ' 242' ' ' GLU . 52.1 mt -66.55 -26.9 67.35 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.616 0.246 . . . . 10.0 111.576 179.56 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 46.2 mtt180 -69.85 -41.02 75.42 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.185 -0.672 . . . . 10.0 109.185 178.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 241' ' ' GLN . . . . . 0.436 HE21 ' HG2' ' A' ' 237' ' ' GLU . 51.6 mt-30 -72.27 -37.14 69.11 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.529 -0.915 . . . . 10.0 108.529 178.343 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 242' ' ' GLU . . . . . 0.516 ' HB2' ' HA ' ' A' ' 239' ' ' LEU . 8.3 mm-40 -64.29 -33.2 75.28 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 115.02 -0.991 . . . . 10.0 109.81 178.48 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 243' ' ' MET . . . . . 0.497 ' HG3' HD12 ' A' ' 247' ' ' LEU . 38.4 ttm -58.96 -38.39 78.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.008 0.432 . . . . 10.0 110.014 179.323 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 4.7 m -77.14 9.19 3.21 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 115.792 -0.64 . . . . 10.0 111.331 179.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -129.87 -65.56 0.83 Allowed 'General case' 0 C--O 1.223 -0.29 0 N-CA-C 109.583 -0.525 . . . . 10.0 109.583 178.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 246' ' ' ASP . . . . . 0.554 ' HA ' ' CZ ' ' D' ' 528' ' ' ARG . 4.7 t70 -54.14 -39.12 66.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.584 -0.734 . . . . 10.0 111.763 -179.306 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 247' ' ' LEU . . . . . 0.497 HD12 ' HG3' ' A' ' 243' ' ' MET . 35.4 mt -96.82 -42.63 7.87 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.947 0.351 . . . . 10.0 111.947 -179.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -65.01 -45.85 83.79 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.918 0.71 . . . . 10.0 112.918 -179.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -66.49 -39.3 88.66 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-O 120.992 0.425 . . . . 10.0 110.119 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 250' ' ' VAL . . . . . 0.673 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 1.6 p -71.4 -28.97 33.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.384 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . 0.486 ' O ' HG12 ' A' ' 254' ' ' VAL . 71.0 tttt -80.05 -36.49 35.62 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.409 0.623 . . . . 10.0 109.773 179.55 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -69.55 -34.32 74.04 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.828 -0.624 . . . . 10.0 109.797 178.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -91.73 -15.37 28.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.691 -0.686 . . . . 10.0 112.024 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 254' ' ' VAL . . . . . 0.673 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.9 OUTLIER -63.8 -25.23 37.73 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 CA-C-O 120.717 0.294 . . . . 10.0 110.724 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 255' ' ' GLN . . . . . 0.504 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 36.0 mt-30 -66.21 -63.47 3.11 Favored Pre-proline 0 CA--C 1.534 0.356 0 CA-C-N 116.057 -0.519 . . . . 10.0 110.869 179.183 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 256' ' ' PRO . . . . . 0.504 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 20.6 Cg_endo -62.44 -32.06 80.76 Favored 'Trans proline' 0 C--N 1.358 1.038 0 C-N-CA 121.784 1.656 . . . . 10.0 112.228 179.18 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 9.5 m-30 -67.96 -51.1 51.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.542 -0.299 . . . . 10.0 110.343 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 258' ' ' LEU . . . . . 0.419 ' O ' ' HB2' ' A' ' 262' ' ' GLN . 22.2 mt -70.7 -34.18 71.68 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 116.64 -0.255 . . . . 10.0 110.715 179.246 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -63.63 -48.76 75.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.507 -0.315 . . . . 10.0 110.672 179.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 260' ' ' ASP . . . . . 0.753 ' HA ' ' HE2' ' A' ' 263' ' ' LYS . 25.4 t70 -63.05 -46.64 86.55 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.338 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 2.7 m-30 -64.4 -28.75 69.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 10.0 110.443 179.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 262' ' ' GLN . . . . . 0.419 ' HB2' ' O ' ' A' ' 258' ' ' LEU . 0.3 OUTLIER -70.42 -46.25 64.3 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 109.277 -0.638 . . . . 10.0 109.277 178.469 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 263' ' ' LYS . . . . . 0.753 ' HE2' ' HA ' ' A' ' 260' ' ' ASP . 27.2 mtmt -61.25 -41.25 96.59 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.209 -0.663 . . . . 10.0 109.209 178.54 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 264' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -64.41 -45.39 87.81 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.706 -0.679 . . . . 10.0 109.368 178.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 1.3 m95 -61.17 -41.51 96.9 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.273 -0.421 . . . . 10.0 110.314 179.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -57.36 -48.34 79.29 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.411 -0.589 . . . . 10.0 109.411 178.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 267' ' ' GLU . . . . . 0.417 ' O ' ' HG ' ' A' ' 271' ' ' LEU . 99.4 mt-10 -64.09 -45.07 90.31 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 115.709 -0.678 . . . . 10.0 110.251 178.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 268' ' ' GLU . . . . . 0.51 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 24.6 mt-10 -56.76 -46.2 81.59 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.865 179.629 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 73.5 mmm -69.45 -39.91 77.48 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.866 -0.606 . . . . 10.0 110.509 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -66.55 -43.9 83.82 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.669 -0.242 . . . . 10.0 110.879 179.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 271' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 267' ' ' GLU . 86.7 mt -59.83 -34.64 73.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.149 0.499 . . . . 10.0 109.912 179.05 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 272' ' ' TYR . . . . . 0.456 ' HD1' ' HA ' ' A' ' 272' ' ' TYR . 0.7 OUTLIER -80.65 -36.6 32.27 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.725 -0.67 . . . . 10.0 111.061 179.289 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 273' ' ' ARG . . . . . 0.409 ' O ' HG12 ' A' ' 276' ' ' VAL . 72.4 mtt180 -69.49 -40.43 77.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.488 -0.324 . . . . 10.0 111.097 179.603 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -68.02 -31.22 70.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.03 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 275' ' ' LYS . . . . . 0.577 ' HD2' HD21 ' D' ' 499' ' ' LEU . 57.2 mttp -92.08 -28.08 17.36 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.733 0.642 . . . . 10.0 112.733 -179.138 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 276' ' ' VAL . . . . . 0.409 HG12 ' O ' ' A' ' 273' ' ' ARG . 5.2 p -61.3 -32.57 53.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 112.227 0.455 . . . . 10.0 112.227 -178.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 277' ' ' GLU . . . . . 0.429 ' HB2' ' HD3' ' A' ' 278' ' ' PRO . 6.3 mt-10 -64.19 -60.71 8.09 Favored Pre-proline 0 C--N 1.327 -0.41 0 N-CA-C 112.097 0.406 . . . . 10.0 112.097 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 278' ' ' PRO . . . . . 0.429 ' HD3' ' HB2' ' A' ' 277' ' ' GLU . 19.8 Cg_endo -62.28 -35.28 74.69 Favored 'Trans proline' 0 C--N 1.354 0.851 0 C-N-CA 121.779 1.652 . . . . 10.0 111.524 178.613 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 279' ' ' LEU . . . . . 0.54 HD22 ' HE3' ' D' ' 495' ' ' LYS . 39.2 mt -66.3 -47.25 74.19 Favored 'General case' 0 C--O 1.226 -0.155 0 CA-C-N 116.483 -0.326 . . . . 10.0 110.781 179.134 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -61.84 -35.88 79.55 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.872 -0.418 . . . . 10.0 109.872 179.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -62.07 -50.08 73.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.74 179.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -68.38 -37.29 80.26 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.929 -0.308 . . . . 10.0 110.78 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 283' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' A' ' 279' ' ' LEU . 92.1 mt -63.6 -40.76 97.76 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 109.399 -0.593 . . . . 10.0 109.399 178.659 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -65.54 -43.15 90.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.78 -0.646 . . . . 10.0 109.44 178.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -59.85 -49.25 78.46 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.868 -0.605 . . . . 10.0 109.466 178.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -60.5 -42.11 98.95 Favored Glycine 0 N--CA 1.441 -1.024 0 N-CA-C 110.996 -0.842 . . . . 10.0 110.996 178.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -61.08 -44.98 96.55 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 110.218 -0.289 . . . . 10.0 110.218 179.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 288' ' ' ARG . . . . . 0.456 ' O ' ' HB2' ' A' ' 292' ' ' HIS . 16.9 mtt180 -58.65 -48.52 80.78 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.343 179.232 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 6.1 tm0? -63.62 -42.95 98.13 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.987 -0.551 . . . . 10.0 111.101 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 58.3 mttt -65.92 -42.75 89.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 10.0 110.543 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 71.5 mt -67.08 -35.55 80.06 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.288 -0.634 . . . . 10.0 109.288 178.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 292' ' ' HIS . . . . . 0.456 ' HB2' ' O ' ' A' ' 288' ' ' ARG . 0.2 OUTLIER -65.96 -47.5 74.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.56 -0.745 . . . . 10.0 109.485 178.858 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.17 -34.99 72.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.987 -0.552 . . . . 10.0 109.578 179.116 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 31.6 mt -68.95 -45.82 69.76 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 115.521 -0.763 . . . . 10.0 109.589 178.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 295' ' ' GLN . . . . . 0.412 ' HA ' ' HB2' ' A' ' 298' ' ' LEU . 47.5 mt-30 -63.04 -32.8 74.25 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.161 0.505 . . . . 10.0 110.664 179.235 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 296' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 292' ' ' HIS . 75.1 mm-40 -65.06 -14.93 61.69 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.692 -0.685 . . . . 10.0 110.487 179.203 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . 0.569 ' HB3' HD12 ' A' ' 301' ' ' LEU . 33.5 mmtp -114.08 -35.7 4.97 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.044 -0.526 . . . . 10.0 110.654 179.256 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 298' ' ' LEU . . . . . 0.412 ' HB2' ' HA ' ' A' ' 295' ' ' GLN . 21.7 mt -57.49 -34.8 69.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.251 -0.431 . . . . 10.0 111.587 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 299' ' ' SER . . . . . 0.469 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 3.4 m -74.14 -62.1 1.11 Allowed Pre-proline 0 C--N 1.324 -0.508 0 N-CA-C 112.313 0.486 . . . . 10.0 112.313 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 300' ' ' PRO . . . . . 0.469 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 29.1 Cg_endo -63.83 -50.71 2.88 Favored 'Trans proline' 0 C--N 1.358 1.05 0 C-N-CA 121.745 1.63 . . . . 10.0 112.816 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 301' ' ' LEU . . . . . 0.79 HD22 ' HG2' ' D' ' 473' ' ' LYS . 75.6 mt -68.32 -24.55 64.84 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 110.091 -0.337 . . . . 10.0 110.091 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -74.65 -49.76 10.43 Favored Glycine 0 N--CA 1.446 -0.699 0 N-CA-C 110.119 -1.192 . . . . 10.0 110.119 178.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -60.87 -40.78 94.26 Favored 'General case' 0 CA--C 1.519 -0.236 0 N-CA-C 108.873 -0.788 . . . . 10.0 108.873 178.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -63.34 -37.24 86.5 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.503 -0.771 . . . . 10.0 109.859 178.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 8.5 tpt -68.19 -39.34 82.49 Favored 'General case' 0 CA--C 1.516 -0.341 0 N-CA-C 109.933 -0.395 . . . . 10.0 109.933 179.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 306' ' ' ARG . . . . . 0.502 ' O ' ' HG3' ' A' ' 310' ' ' ARG . 3.8 mtt180 -67.71 -39.0 84.37 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.755 -0.657 . . . . 10.0 109.48 178.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 307' ' ' ASP . . . . . 0.638 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 34.6 t70 -69.15 -41.57 77.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.004 -0.544 . . . . 10.0 109.898 178.697 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 308' ' ' ARG . . . . . 0.435 ' HG3' HD11 ' D' ' 469' ' ' LEU . 9.3 mmt180 -66.51 -32.86 74.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.938 -0.573 . . . . 10.0 109.55 178.072 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 309' ' ' ALA . . . . . 0.441 ' HA ' ' HB2' ' A' ' 312' ' ' HIS . . . -66.16 -33.69 76.34 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 109.061 -0.718 . . . . 10.0 109.061 177.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 310' ' ' ARG . . . . . 0.638 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 91.8 mtt180 -59.2 -51.26 70.74 Favored 'General case' 0 C--O 1.221 -0.407 0 N-CA-C 108.612 -0.884 . . . . 10.0 108.612 178.199 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -65.76 -39.22 90.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.413 179.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 312' ' ' HIS . . . . . 0.441 ' HB2' ' HA ' ' A' ' 309' ' ' ALA . 0.5 OUTLIER -58.34 -51.75 68.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 10.0 110.49 179.713 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 76.3 t -73.59 -36.97 48.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.549 -0.751 . . . . 10.0 111.077 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 314' ' ' ASP . . . . . 0.438 ' HB2' ' O ' ' A' ' 310' ' ' ARG . 8.8 t70 -60.67 -49.75 76.26 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.865 -0.421 . . . . 10.0 109.865 179.484 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -62.39 -36.2 81.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.631 -0.713 . . . . 10.0 109.854 179.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 7.1 mt -65.9 -47.46 74.72 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-N 115.748 -0.66 . . . . 10.0 109.307 178.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 21.6 mtm105 -60.58 -46.67 89.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.339 -0.391 . . . . 10.0 110.952 179.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 48.7 m -59.79 -29.09 67.98 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.932 -0.576 . . . . 10.0 111.121 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -90.03 -37.13 14.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.429 -0.35 . . . . 10.0 110.966 179.455 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 60.0 mt -65.85 -31.87 73.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.569 -0.287 . . . . 10.0 111.606 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -55.29 -60.86 7.13 Favored Pre-proline 0 CA--C 1.535 0.372 0 O-C-N 123.085 0.241 . . . . 10.0 111.545 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -66.32 -37.18 24.84 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 121.423 1.415 . . . . 10.0 110.915 178.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 323' ' ' TYR . . . . . 0.474 ' O ' ' HG ' ' A' ' 327' ' ' LEU . 9.2 m-30 -58.72 -47.73 83.57 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.357 -0.383 . . . . 10.0 111.808 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 14.8 p -63.1 -40.23 97.03 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 123.134 0.271 . . . . 10.0 111.08 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 325' ' ' ASP . . . . . 0.693 ' HA ' ' HD2' ' A' ' 328' ' ' ARG . 1.3 m-20 -66.04 -40.02 90.66 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.448 -0.575 . . . . 10.0 109.448 178.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . 0.446 ' O ' ' HG3' ' A' ' 330' ' ' ARG . 26.6 mt-10 -65.11 -38.65 91.36 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 108.686 -0.857 . . . . 10.0 108.686 177.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . 0.533 HD23 ' HD2' ' A' ' 330' ' ' ARG . 32.7 mt -66.55 -36.31 82.35 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.962 -0.563 . . . . 10.0 109.882 178.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 328' ' ' ARG . . . . . 0.693 ' HD2' ' HA ' ' A' ' 325' ' ' ASP . 86.9 mtt180 -61.99 -43.83 98.01 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.003 -0.74 . . . . 10.0 109.003 178.466 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -66.42 -38.88 88.43 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.819 -0.628 . . . . 10.0 109.316 178.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 330' ' ' ARG . . . . . 0.734 HH21 ' HB3' ' D' ' 447' ' ' GLU . 32.2 mtt180 -60.86 -48.08 83.43 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 109.392 -0.596 . . . . 10.0 109.392 178.251 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 67.6 mt -62.35 -43.65 98.32 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.543 -0.753 . . . . 10.0 110.259 179.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -61.03 -51.9 67.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.286 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -60.02 -43.98 94.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.668 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 7.7 mmt180 -63.93 -47.41 80.64 Favored 'General case' 0 C--O 1.225 -0.209 0 CA-C-N 116.296 -0.411 . . . . 10.0 109.91 179.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 335' ' ' LEU . . . . . 0.416 ' O ' ' HG3' ' A' ' 339' ' ' LYS . 49.8 mt -61.78 -42.63 99.25 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 116.28 -0.418 . . . . 10.0 110.774 179.464 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -60.33 -47.38 86.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.644 -0.253 . . . . 10.0 110.563 179.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -65.2 -44.2 89.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.224 -0.443 . . . . 10.0 109.958 179.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 54.7 mt -65.53 -19.68 66.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.75 -0.659 . . . . 10.0 111.094 179.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 339' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' A' ' 335' ' ' LEU . 74.5 mttt -81.84 -40.98 21.69 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.653 -0.499 . . . . 10.0 109.653 178.196 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -67.49 -55.82 12.03 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 108.527 -0.916 . . . . 10.0 108.527 178.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -62.32 -43.87 97.82 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.15 -0.932 . . . . 10.0 110.098 179.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 342' ' ' GLY . . . . . 0.404 ' O ' ' HG ' ' A' ' 346' ' ' LEU . . . -60.25 -47.73 89.64 Favored Glycine 0 C--O 1.227 -0.318 0 CA-C-N 115.707 -0.678 . . . . 10.0 112.032 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -61.44 -42.42 99.76 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.752 -0.737 . . . . 10.0 111.399 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -64.62 -42.49 95.48 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 110.093 -0.336 . . . . 10.0 110.093 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 41.1 mtm180 -66.94 -41.16 87.43 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.381 179.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 346' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 342' ' ' GLY . 75.6 mt -57.76 -47.68 81.8 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 110.038 -0.356 . . . . 10.0 110.038 179.073 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -65.83 -41.26 92.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.06 178.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -61.85 -45.7 92.66 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.824 -0.625 . . . . 10.0 110.245 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -65.23 -30.03 70.88 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.417 179.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -67.58 -46.71 71.84 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 109.434 -0.58 . . . . 10.0 109.434 178.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . 0.53 ' O ' ' HG2' ' A' ' 355' ' ' GLU . . . -64.8 -41.21 95.99 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.755 -0.831 . . . . 10.0 108.755 178.041 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 352' ' ' LYS . . . . . 0.499 ' HG3' ' OE2' ' D' ' 425' ' ' GLU . 5.7 mtmm -59.4 -45.9 90.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.572 -0.74 . . . . 10.0 109.695 178.711 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . 0.426 ' O ' ' HG ' ' A' ' 357' ' ' LEU . . . -62.4 -40.18 95.65 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.841 -0.618 . . . . 10.0 109.781 178.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 25.7 m -60.99 -45.42 94.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.489 . . . . 10.0 110.136 178.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 355' ' ' GLU . . . . . 0.53 ' HG2' ' O ' ' A' ' 351' ' ' ALA . 49.3 mm-40 -66.52 -39.9 88.87 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.062 0.458 . . . . 10.0 110.04 179.55 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -65.76 -36.12 82.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.068 178.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 357' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 353' ' ' ALA . 46.1 mt -64.33 -42.05 96.48 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.14 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 358' ' ' SER . . . . . 0.405 ' O ' ' HG2' ' A' ' 362' ' ' GLU . 0.0 OUTLIER -61.45 -49.59 76.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.892 0.377 . . . . 10.0 110.468 179.376 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 359' ' ' THR . . . . . 0.408 ' CG2' ' HB3' ' D' ' 414' ' ' LYS . 1.5 m -66.19 -30.04 70.43 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.447 179.024 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 7.3 tt -70.38 -32.71 70.49 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.12 -0.696 . . . . 10.0 109.12 178.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 30.8 m -67.0 -31.03 71.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.961 -0.563 . . . . 10.0 109.801 179.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 362' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 358' ' ' SER . 4.2 mm-40 -68.98 -15.55 63.51 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.63 0.728 . . . . 10.0 109.329 178.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 363' ' ' LYS . . . . . 0.655 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 82.3 mttt -97.12 -43.03 7.57 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.545 -0.909 . . . . 10.0 108.545 178.122 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -64.16 -31.87 73.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.358 -0.837 . . . . 10.0 112.604 -179.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 365' ' ' LYS . . . . . 0.995 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 57.9 mttt -105.86 -75.0 0.02 OUTLIER Pre-proline 0 CA--C 1.538 0.489 0 N-CA-C 113.107 0.78 . . . . 10.0 113.107 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 366' ' ' PRO . . . . . 0.995 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 35.2 Cg_exo -58.28 -51.54 7.36 Favored 'Trans proline' 0 C--N 1.354 0.832 0 C-N-CA 122.269 1.979 . . . . 10.0 113.63 -178.63 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 367' ' ' ALA . . . . . 0.655 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -61.29 -53.39 57.44 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.586 0.217 . . . . 10.0 111.586 -179.355 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 368' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 368' ' ' LEU . 15.9 mt -58.64 -38.51 78.26 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.773 -0.194 . . . . 10.0 111.474 179.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -64.46 -49.95 69.42 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.835 -0.431 . . . . 10.0 109.835 179.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -60.58 -37.67 82.07 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.328 179.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 49.9 mt -66.68 -42.94 85.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.703 -0.681 . . . . 10.0 110.164 179.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 372' ' ' ARG . . . . . 0.423 ' O ' ' HG ' ' A' ' 376' ' ' LEU . 57.8 mtt85 -66.5 -40.24 89.14 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.738 -0.468 . . . . 10.0 109.738 178.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -63.66 -20.6 65.83 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.034 178.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -93.99 -35.11 6.19 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 110.824 -0.91 . . . . 10.0 110.824 178.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 375' ' ' LEU . . . . . 0.497 ' O ' ' HG ' ' A' ' 379' ' ' LEU . 41.4 mt -65.97 -39.61 90.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.825 -0.188 . . . . 10.0 111.112 179.269 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 376' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 372' ' ' ARG . 92.3 mt -50.57 -60.23 5.79 Favored Pre-proline 0 CA--C 1.537 0.473 0 N-CA-C 112.892 0.701 . . . . 10.0 112.892 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -64.27 -32.2 62.32 Favored 'Trans proline' 0 C--N 1.355 0.873 0 C-N-CA 122.109 1.873 . . . . 10.0 111.496 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 25.1 t -65.73 -39.99 86.48 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 N-CA-C 109.612 -0.514 . . . . 10.0 109.612 178.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 379' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 375' ' ' LEU . 88.8 mt -62.37 -35.43 79.15 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.097 -0.501 . . . . 10.0 110.098 178.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 380' ' ' GLU . . . . . 0.429 ' O ' HG23 ' A' ' 384' ' ' VAL . 31.3 mt-10 -60.89 -49.87 75.71 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.447 -0.575 . . . . 10.0 109.447 179.253 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.25 -42.03 90.15 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.989 -0.551 . . . . 10.0 110.218 179.21 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -64.45 -42.88 95.71 Favored 'General case' 0 C--O 1.221 -0.445 0 CA-C-N 115.724 -0.671 . . . . 10.0 110.835 179.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 383' ' ' LYS . . . . . 0.429 ' O ' ' HG ' ' A' ' 387' ' ' LEU . 93.9 mttt -62.28 -46.26 89.57 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.818 0.342 . . . . 10.0 110.589 179.558 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 384' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 380' ' ' GLU . 89.5 t -61.05 -49.78 83.29 Favored 'Isoleucine or valine' 0 C--O 1.236 0.395 0 CA-C-N 116.097 -0.502 . . . . 10.0 110.992 179.606 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 8.7 p -65.78 -35.43 80.69 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.389 -0.369 . . . . 10.0 111.275 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 386' ' ' PHE . . . . . 0.668 ' HZ ' ' H75' ' A' ' 415' ' ' 17F . 0.6 OUTLIER -61.54 -45.26 94.93 Favored 'General case' 0 CA--C 1.52 -0.202 0 N-CA-C 109.319 -0.623 . . . . 10.0 109.319 178.836 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 387' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 383' ' ' LYS . 79.0 mt -64.31 -40.52 96.09 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.146 179.045 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 388' ' ' SER . . . . . 0.521 ' HB3' ' HD3' ' D' ' 594' ' ' LYS . 38.3 m -63.24 -45.27 92.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.913 -0.585 . . . . 10.0 109.931 179.086 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -64.41 -41.85 96.41 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.921 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 26.7 mt -58.69 -48.86 79.67 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.158 -0.474 . . . . 10.0 109.946 179.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -60.99 -41.24 96.1 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.487 179.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -56.35 -55.71 30.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 10.0 111.467 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -61.93 -35.62 78.96 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.208 -0.451 . . . . 10.0 111.618 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 23.7 m -67.53 -44.84 77.37 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.369 -0.378 . . . . 10.0 111.293 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -68.99 -40.91 78.46 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.41 0.522 . . . . 10.0 112.41 -179.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 396' ' ' LYS . . . . . 0.639 ' HE2' ' HA ' ' D' ' 587' ' ' ALA . 13.5 mptt -75.36 -36.06 61.03 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 113.512 0.93 . . . . 10.0 113.512 -177.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 64.8 mt -92.59 14.5 16.74 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.45 0.537 . . . . 10.0 112.45 -179.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 64.1 t30 . . . . . 0 C--N 1.323 -0.55 0 CA-C-N 116.662 -0.245 . . . . 10.0 110.885 179.558 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 2.9 mm? . . . . . 0 C--O 1.235 0.299 0 CA-C-O 121.499 0.666 . . . . 10.0 109.839 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -87.74 7.69 29.11 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.443 -0.799 . . . . 10.0 110.471 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 75.7 mt -61.72 -39.44 91.52 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.725 -0.671 . . . . 10.0 109.677 179.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 36.7 mt -63.85 -38.13 89.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.652 -0.703 . . . . 10.0 110.633 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -62.22 -53.27 57.62 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 115.897 -0.592 . . . . 10.0 109.719 179.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 404' ' ' ASN . . . . . 0.558 ' O ' HG23 ' D' ' 408' ' ' VAL . 59.1 t30 -60.05 -40.6 89.99 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.656 -0.702 . . . . 10.0 110.696 -179.622 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 4.7 m95 -56.39 -43.64 79.48 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.376 -0.375 . . . . 10.0 111.06 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -64.87 -43.59 92.46 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.935 0.398 . . . . 10.0 110.194 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 1.8 m -61.0 -42.18 97.95 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.678 -0.692 . . . . 10.0 110.733 178.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 408' ' ' VAL . . . . . 0.558 HG23 ' O ' ' D' ' 404' ' ' ASN . 61.7 t -65.86 -41.79 90.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 121.012 0.434 . . . . 10.0 109.866 178.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 19.8 m -63.7 -31.67 72.91 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.311 178.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 27.2 m -64.3 -45.63 87.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.348 179.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 411' ' ' THR . . . . . 0.434 HG22 ' HE2' ' A' ' 363' ' ' LYS . 0.0 OUTLIER -67.01 -33.05 74.72 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 120.708 0.29 . . . . 10.0 110.701 179.74 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 11.7 m-30 -65.86 -45.52 81.83 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.426 -0.583 . . . . 10.0 109.426 178.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 13.3 m -62.97 -38.22 90.24 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 109.35 -0.611 . . . . 10.0 109.35 178.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 414' ' ' LYS . . . . . 0.408 ' HB3' ' CG2' ' A' ' 359' ' ' THR . 29.3 mmtt -65.6 -35.14 79.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.686 -0.688 . . . . 10.0 110.505 178.496 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 415' ' ' LEU . . . . . 0.543 ' HA ' HE21 ' D' ' 418' ' ' GLN . 0.4 OUTLIER -67.38 -40.8 85.73 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.422 -0.584 . . . . 10.0 109.422 179.006 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -66.01 -34.94 79.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.39 -0.823 . . . . 10.0 109.829 178.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -66.07 -34.78 78.85 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.784 -0.643 . . . . 10.0 109.854 178.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 418' ' ' GLN . . . . . 0.543 HE21 ' HA ' ' D' ' 415' ' ' LEU . 46.8 mt-30 -72.65 -48.69 37.25 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 108.866 -0.79 . . . . 10.0 108.866 178.368 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 14.0 mt -45.52 -46.51 13.96 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-N 115.05 -0.977 . . . . 10.0 112.901 -179.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -48.97 -77.81 0.11 Allowed Glycine 0 C--N 1.334 0.426 0 O-C-N 123.677 0.611 . . . . 10.0 113.276 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 421' ' ' PRO . . . . . 0.551 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 52.7 Cg_exo -57.38 -36.4 98.85 Favored 'Trans proline' 0 C--O 1.233 0.275 0 C-N-CA 122.571 2.181 . . . . 10.0 112.717 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 25.7 t -62.25 -48.31 89.02 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.343 0 N-CA-C 112.079 0.4 . . . . 10.0 112.079 -179.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 25.5 p -68.67 -35.74 77.61 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 121.058 -0.257 . . . . 10.0 110.768 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -57.05 -51.33 69.68 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.172 -0.467 . . . . 10.0 109.767 178.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 425' ' ' GLU . . . . . 0.551 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 10.4 pt-20 -76.92 -27.73 55.02 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-N 116.272 -0.422 . . . . 10.0 111.195 179.4 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 426' ' ' PHE . . . . . 0.513 ' O ' ' HG ' ' D' ' 430' ' ' LEU . 40.7 t80 -64.5 -42.0 96.1 Favored 'General case' 0 CA--C 1.52 -0.191 0 N-CA-C 109.602 -0.518 . . . . 10.0 109.602 178.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 427' ' ' TRP . . . . . 0.445 ' O ' ' HG3' ' D' ' 431' ' ' GLU . 38.8 m0 -67.62 -40.03 84.7 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.977 -0.749 . . . . 10.0 108.977 178.568 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -63.56 -39.45 94.42 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 108.511 -0.922 . . . . 10.0 108.511 178.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 429' ' ' ASN . . . . . 0.413 ' HA ' ' HD2' ' D' ' 432' ' ' LYS . 2.8 t30 -65.22 -42.61 93.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.171 -0.922 . . . . 10.0 109.459 178.373 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 430' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' D' ' 426' ' ' PHE . 57.1 mt -60.46 -35.36 75.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.005 -0.543 . . . . 10.0 109.572 178.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 431' ' ' GLU . . . . . 0.445 ' HG3' ' O ' ' D' ' 427' ' ' TRP . 94.2 mt-10 -69.19 -35.95 76.81 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.71 -0.677 . . . . 10.0 109.61 177.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 432' ' ' LYS . . . . . 0.413 ' HD2' ' HA ' ' D' ' 429' ' ' ASN . 31.5 mttp -64.44 -46.66 82.19 Favored 'General case' 0 CA--C 1.519 -0.243 0 N-CA-C 107.921 -1.14 . . . . 10.0 107.921 177.567 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -62.49 -49.86 73.7 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 114.961 -1.018 . . . . 10.0 110.857 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 1.5 p -59.61 -50.87 72.21 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 121.302 -0.159 . . . . 10.0 111.226 179.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 435' ' ' GLU . . . . . 0.468 ' O ' ' HG3' ' D' ' 439' ' ' GLN . 25.6 mm-40 -60.8 -49.37 77.77 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.61 0.243 . . . . 10.0 110.678 179.415 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -58.74 -47.07 92.26 Favored Glycine 0 N--CA 1.453 -0.218 0 N-CA-C 111.518 -0.633 . . . . 10.0 111.518 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 61.9 mt -64.86 -33.94 77.19 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 110.275 -0.269 . . . . 10.0 110.275 179.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 438' ' ' ARG . . . . . 0.603 ' HA ' ' HB2' ' D' ' 441' ' ' MET . 69.2 mtt180 -62.08 -37.67 85.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.521 -0.308 . . . . 10.0 111.409 179.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 439' ' ' GLN . . . . . 0.468 ' HG3' ' O ' ' D' ' 435' ' ' GLU . 69.6 mt-30 -56.37 -51.34 68.68 Favored 'General case' 0 C--O 1.235 0.299 0 O-C-N 123.653 0.596 . . . . 10.0 110.22 179.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.28 -23.81 47.06 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.221 -0.9 . . . . 10.0 110.762 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 441' ' ' MET . . . . . 0.603 ' HB2' ' HA ' ' D' ' 438' ' ' ARG . 2.3 mmm -62.9 -49.82 73.3 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.885 179.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.28 -41.21 98.97 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 109.427 -0.582 . . . . 10.0 109.427 179.177 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -63.02 -39.77 95.76 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.004 179.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 444' ' ' ASP . . . . . 0.721 ' O ' ' HB ' ' D' ' 448' ' ' VAL . 3.6 t0 -69.99 -50.19 44.1 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.389 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 83.4 mt -63.94 -55.47 22.29 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.835 0.68 . . . . 10.0 112.835 -179.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 446' ' ' GLU . . . . . 0.402 ' HA ' ' HD2' ' D' ' 449' ' ' LYS . 26.8 mm-40 -58.7 -50.22 74.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.727 0.298 . . . . 10.0 111.675 -178.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 447' ' ' GLU . . . . . 0.734 ' HB3' HH21 ' A' ' 330' ' ' ARG . 29.6 tt0 -67.36 -29.46 69.0 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.771 -0.372 . . . . 10.0 111.113 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 448' ' ' VAL . . . . . 0.721 ' HB ' ' O ' ' D' ' 444' ' ' ASP . 0.5 OUTLIER -63.7 -32.4 56.76 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.343 0 N-CA-C 109.837 -0.431 . . . . 10.0 109.837 179.102 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 449' ' ' LYS . . . . . 0.402 ' HD2' ' HA ' ' D' ' 446' ' ' GLU . 77.6 mttt -67.9 -43.51 79.1 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.722 -0.844 . . . . 10.0 108.722 178.527 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -78.88 6.65 8.66 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.214 -0.903 . . . . 10.0 110.472 179.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 451' ' ' LYS . . . . . 0.648 ' O ' ' HB2' ' D' ' 455' ' ' TYR . 43.5 mttm -115.76 -47.73 2.79 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.184 179.028 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 80.1 t -67.6 -42.22 86.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 10.0 111.516 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -55.32 -58.78 13.4 Favored Pre-proline 0 CA--C 1.536 0.412 0 C-N-CA 121.175 -0.21 . . . . 10.0 111.2 179.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -67.54 -24.08 42.56 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 121.762 1.641 . . . . 10.0 111.774 178.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 455' ' ' TYR . . . . . 0.648 ' HB2' ' O ' ' D' ' 451' ' ' LYS . 1.3 t80 -70.32 -40.69 74.03 Favored 'General case' 0 CA--C 1.52 -0.186 0 N-CA-C 109.051 -0.722 . . . . 10.0 109.051 178.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 17.5 mt -65.76 -39.72 91.34 Favored 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 108.653 -0.869 . . . . 10.0 108.653 177.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -63.08 -45.88 90.02 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 115.535 -0.757 . . . . 10.0 109.372 178.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -61.96 -43.54 98.63 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.251 -0.886 . . . . 10.0 110.338 179.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -67.11 -46.49 74.04 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.503 179.208 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -55.77 -38.99 70.62 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.447 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 461' ' ' LYS . . . . . 0.42 ' O ' ' HG3' ' D' ' 465' ' ' GLU . 56.0 mttt -59.76 -48.56 81.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 10.0 110.193 179.154 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 462' ' ' LYS . . . . . 0.702 ' HD2' H283 ' D' ' 602' ' ' PCW . 26.6 mtmm -70.14 -35.28 73.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.703 179.361 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 463' ' ' TRP . . . . . 0.709 ' CD1' ' H71' ' D' ' 629' ' ' 17F . 31.3 m0 -63.75 -43.52 96.21 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.374 -0.602 . . . . 10.0 109.374 178.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -66.59 -37.38 84.8 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.331 178.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 465' ' ' GLU . . . . . 0.461 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 38.4 mt-10 -61.75 -50.7 71.33 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 108.437 -0.949 . . . . 10.0 108.437 177.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.32 -43.94 95.91 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.685 -0.688 . . . . 10.0 110.086 179.027 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 34.6 ttm -57.15 -51.29 69.89 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.132 -0.486 . . . . 10.0 110.498 179.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -65.34 -34.12 77.57 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.638 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 469' ' ' LEU . . . . . 0.665 HD22 ' HE3' ' D' ' 473' ' ' LYS . 60.7 mt -67.59 -37.93 83.3 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-N 116.28 -0.418 . . . . 10.0 109.883 178.359 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -65.67 -30.19 70.85 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.896 0.379 . . . . 10.0 110.42 179.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 471' ' ' ARG . . . . . 0.802 ' HA ' ' HG3' ' D' ' 475' ' ' GLU . 66.7 mtt180 -79.32 -23.72 43.28 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.075 0.464 . . . . 10.0 111.013 179.104 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -99.51 -8.03 25.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.214 -0.448 . . . . 10.0 111.572 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 473' ' ' LYS . . . . . 0.79 ' HG2' HD22 ' A' ' 301' ' ' LEU . 92.3 mttt -123.0 -66.92 0.98 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.577 -0.283 . . . . 10.0 111.518 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 474' ' ' VAL . . . . . 0.431 ' O ' ' HB2' ' D' ' 478' ' ' ARG . 52.9 t -54.81 -48.2 73.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 10.0 112.15 -179.055 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 475' ' ' GLU . . . . . 0.802 ' HG3' ' HA ' ' D' ' 471' ' ' ARG . 14.8 mt-10 -58.24 -59.49 13.19 Favored Pre-proline 0 CA--C 1.533 0.299 0 N-CA-C 112.213 0.449 . . . . 10.0 112.213 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 476' ' ' PRO . . . . . 0.732 ' HD3' ' HB2' ' D' ' 475' ' ' GLU . 38.2 Cg_exo -60.04 -41.82 49.3 Favored 'Trans proline' 0 C--N 1.353 0.813 0 C-N-CA 121.811 1.674 . . . . 10.0 111.83 178.629 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 29.3 mt -62.39 -32.87 73.75 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-O 120.769 0.319 . . . . 10.0 110.237 178.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 478' ' ' ARG . . . . . 0.431 ' HB2' ' O ' ' D' ' 474' ' ' VAL . 68.8 ttt180 -63.6 -39.6 94.8 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.604 -0.725 . . . . 10.0 109.335 179.087 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -68.15 -44.33 76.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.79 -0.641 . . . . 10.0 109.533 178.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -63.52 -42.19 98.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.947 -0.57 . . . . 10.0 110.096 178.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 19.8 mt -67.0 -29.76 69.67 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.416 -0.586 . . . . 10.0 109.416 178.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -70.82 -40.64 72.33 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 108.65 -0.87 . . . . 10.0 108.65 178.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 483' ' ' GLU . . . . . 0.402 ' OE2' ' HD2' ' D' ' 486' ' ' ARG . 0.8 OUTLIER -65.51 -43.19 90.86 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.079 -0.712 . . . . 10.0 109.079 178.388 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -65.16 -35.69 92.0 Favored Glycine 0 N--CA 1.446 -0.689 0 N-CA-C 110.381 -1.087 . . . . 10.0 110.381 178.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 485' ' ' ALA . . . . . 0.412 ' O ' ' HG ' ' D' ' 489' ' ' LEU . . . -67.75 -42.95 80.99 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 109.532 -0.544 . . . . 10.0 109.532 178.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 486' ' ' ARG . . . . . 0.402 ' HD2' ' OE2' ' D' ' 483' ' ' GLU . 70.5 mtt180 -62.13 -42.14 98.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.466 . . . . 10.0 109.892 178.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 487' ' ' GLN . . . . . 0.429 ' O ' ' HG3' ' D' ' 491' ' ' GLU . 1.9 mm100 -66.1 -43.01 88.49 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.631 -0.713 . . . . 10.0 109.373 178.348 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 62.8 tttt -64.6 -36.89 85.71 Favored 'General case' 0 C--O 1.225 -0.185 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.055 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 489' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' D' ' 485' ' ' ALA . 66.9 mt -64.54 -39.84 94.5 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 109.059 -0.719 . . . . 10.0 109.059 178.109 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 37.5 t-80 -64.67 -46.96 80.22 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.068 -1.086 . . . . 10.0 108.068 177.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 491' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' D' ' 487' ' ' GLN . 80.4 mt-10 -55.51 -44.98 77.11 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.521 -0.763 . . . . 10.0 109.055 178.259 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 55.8 mt -64.11 -49.44 72.2 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.643 -0.708 . . . . 10.0 110.919 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -60.39 -36.5 78.25 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.491 -0.322 . . . . 10.0 111.333 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -69.03 -4.8 18.36 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 116.019 -0.537 . . . . 10.0 111.22 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 495' ' ' LYS . . . . . 0.575 ' O ' ' HB2' ' D' ' 499' ' ' LEU . 29.1 mttp -120.92 -46.04 2.35 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.447 179.47 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 496' ' ' LEU . . . . . 0.483 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 99.2 mt -60.69 -24.96 66.04 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.248 -0.433 . . . . 10.0 112.035 -179.72 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 497' ' ' SER . . . . . 0.519 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 4.0 m -82.82 -65.46 0.23 Allowed Pre-proline 0 CA--C 1.538 0.517 0 C-N-CA 120.804 -0.359 . . . . 10.0 111.642 179.298 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 498' ' ' PRO . . . . . 0.519 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 32.1 Cg_endo -64.66 -50.39 2.48 Favored 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 121.721 1.614 . . . . 10.0 112.075 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 499' ' ' LEU . . . . . 0.577 HD21 ' HD2' ' A' ' 275' ' ' LYS . 56.4 mt -69.49 -29.72 67.44 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.906 -0.405 . . . . 10.0 109.906 179.247 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 500' ' ' GLY . . . . . 0.483 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -64.77 -47.26 85.14 Favored Glycine 0 N--CA 1.451 -0.345 0 N-CA-C 110.852 -0.899 . . . . 10.0 110.852 179.048 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -67.16 -36.22 81.36 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.164 -0.68 . . . . 10.0 109.164 178.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 502' ' ' GLU . . . . . 0.495 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 21.8 tt0 -63.87 -43.3 96.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.628 -0.715 . . . . 10.0 110.273 178.693 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 503' ' ' MET . . . . . 0.57 ' HA ' ' HD2' ' D' ' 506' ' ' ARG . 33.5 mmm -61.93 -42.48 99.15 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 109.558 -0.534 . . . . 10.0 109.558 179.06 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 504' ' ' ARG . . . . . 0.468 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 67.6 mtt85 -63.83 -37.19 86.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.899 -0.592 . . . . 10.0 109.628 178.374 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 505' ' ' ASP . . . . . 0.475 ' HA ' ' HD2' ' D' ' 508' ' ' ARG . 9.1 t0 -68.26 -37.47 80.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.633 -0.712 . . . . 10.0 109.874 179.417 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 506' ' ' ARG . . . . . 0.57 ' HD2' ' HA ' ' D' ' 503' ' ' MET . 47.1 mtt180 -62.57 -42.42 99.54 Favored 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 108.064 -1.087 . . . . 10.0 108.064 177.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -60.74 -43.35 98.02 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 114.905 -1.043 . . . . 10.0 109.48 178.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 508' ' ' ARG . . . . . 0.475 ' HD2' ' HA ' ' D' ' 505' ' ' ASP . 70.5 mtt180 -58.21 -45.25 87.99 Favored 'General case' 0 C--O 1.223 -0.335 0 O-C-N 123.507 0.504 . . . . 10.0 109.673 178.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -62.14 -48.7 78.96 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.659 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 510' ' ' HIS . . . . . 0.408 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 15.8 m-70 -64.05 -47.31 80.67 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.206 -0.452 . . . . 10.0 111.213 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 511' ' ' VAL . . . . . 0.498 ' O ' ' HG3' ' D' ' 515' ' ' ARG . 55.8 t -63.24 -43.06 98.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.451 -0.34 . . . . 10.0 110.445 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 512' ' ' ASP . . . . . 0.877 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 9.5 t70 -61.9 -39.33 91.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.048 0.452 . . . . 10.0 109.806 179.231 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -66.21 -45.54 80.4 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 108.513 -0.921 . . . . 10.0 108.513 178.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 514' ' ' LEU . . . . . 0.563 ' HA ' ' HB2' ' D' ' 517' ' ' HIS . 89.7 mt -60.88 -27.34 68.06 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 115.644 -0.707 . . . . 10.0 110.743 179.305 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 515' ' ' ARG . . . . . 0.877 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 89.7 mtt180 -65.43 -35.14 80.04 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.294 -0.632 . . . . 10.0 109.294 178.254 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.37 7.32 45.64 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.849 179.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 517' ' ' HIS . . . . . 0.563 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 34.8 m170 -113.37 -65.54 1.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.502 179.368 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 90.9 mt -66.95 -43.5 82.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.708 -0.678 . . . . 10.0 112.697 -178.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 519' ' ' ALA . . . . . 0.643 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -58.6 -57.56 25.66 Favored Pre-proline 0 N--CA 1.466 0.353 0 N-CA-C 112.356 0.502 . . . . 10.0 112.356 -179.568 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 520' ' ' PRO . . . . . 0.643 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 36.4 Cg_exo -62.1 -32.64 83.45 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 121.79 1.66 . . . . 10.0 110.763 178.199 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 521' ' ' TYR . . . . . 0.4 ' HB2' ' O ' ' D' ' 517' ' ' HIS . 24.2 t80 -65.98 -43.53 87.56 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.244 -0.435 . . . . 10.0 110.745 179.461 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 1.7 p -67.21 -32.61 73.78 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 109.516 -0.55 . . . . 10.0 109.516 178.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 523' ' ' ASP . . . . . 0.539 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 0.6 OUTLIER -65.87 -41.41 91.63 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 108.7 -0.852 . . . . 10.0 108.7 177.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -68.43 -37.98 80.76 Favored 'General case' 0 CA--C 1.519 -0.218 0 N-CA-C 108.603 -0.888 . . . . 10.0 108.603 177.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 40.8 mt -62.31 -36.74 83.1 Favored 'General case' 0 C--O 1.219 -0.548 0 CA-C-N 115.352 -0.84 . . . . 10.0 109.349 178.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 526' ' ' ARG . . . . . 0.539 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 77.6 mtt180 -64.02 -39.54 94.33 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.546 -0.538 . . . . 10.0 109.546 178.175 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -66.48 -42.05 88.06 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.316 -0.624 . . . . 10.0 109.316 178.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 528' ' ' ARG . . . . . 0.554 ' CZ ' ' HA ' ' A' ' 246' ' ' ASP . 58.9 mtt180 -68.58 -48.69 63.56 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.5 -0.773 . . . . 10.0 110.589 179.36 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 40.6 mt -62.67 -30.76 71.63 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-N 115.978 -0.556 . . . . 10.0 110.796 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -61.21 -41.27 96.54 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.279 -0.637 . . . . 10.0 109.279 178.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -77.46 -42.58 35.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.63 -0.713 . . . . 10.0 109.462 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 532' ' ' ARG . . . . . 0.478 ' O ' ' HG ' ' D' ' 536' ' ' LEU . 17.5 ttm180 -58.74 -46.9 86.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.664 -0.698 . . . . 10.0 110.053 179.21 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 81.9 mt -69.33 -34.38 74.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.177 178.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 534' ' ' GLU . . . . . 0.431 ' HA ' ' HE3' ' D' ' 537' ' ' LYS . 38.4 tt0 -62.04 -44.21 97.19 Favored 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 109.112 -0.699 . . . . 10.0 109.112 178.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -64.59 -39.97 94.69 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.535 -0.757 . . . . 10.0 109.549 178.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 536' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' D' ' 532' ' ' ARG . 74.4 mt -67.85 -32.63 73.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.666 179.086 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 537' ' ' LYS . . . . . 0.431 ' HE3' ' HA ' ' D' ' 534' ' ' GLU . 43.5 mtmt -74.45 -41.4 60.87 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.359 -0.608 . . . . 10.0 109.359 178.353 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -65.16 -47.63 76.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.813 -0.63 . . . . 10.0 109.769 178.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -65.97 -42.21 90.19 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-N 115.466 -0.788 . . . . 10.0 109.239 178.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -63.14 -40.09 98.74 Favored Glycine 0 N--CA 1.446 -0.697 0 CA-C-N 115.799 -0.637 . . . . 10.0 112.182 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -66.73 -45.96 79.58 Favored Glycine 0 N--CA 1.449 -0.5 0 N-CA-C 111.127 -0.789 . . . . 10.0 111.127 179.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -64.78 -46.05 83.76 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.9 -0.407 . . . . 10.0 109.9 179.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 48.6 mtt180 -63.42 -30.76 71.83 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 115.774 -0.648 . . . . 10.0 111.135 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 544' ' ' LEU . . . . . 0.562 ' O ' ' HB2' ' D' ' 548' ' ' HIS . 6.2 mt -65.81 -42.09 91.08 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 109.297 -0.631 . . . . 10.0 109.297 178.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -68.03 -40.84 82.83 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.443 -0.577 . . . . 10.0 109.443 178.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -64.75 -47.78 76.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.585 -0.734 . . . . 10.0 110.475 179.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -67.83 -34.44 76.73 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.142 -0.481 . . . . 10.0 111.0 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 548' ' ' HIS . . . . . 0.562 ' HB2' ' O ' ' D' ' 544' ' ' LEU . 3.4 t-80 -66.46 -44.18 83.47 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.443 -0.947 . . . . 10.0 108.443 178.229 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -63.78 -49.68 71.97 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 115.437 -0.801 . . . . 10.0 109.291 178.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 550' ' ' LYS . . . . . 0.458 ' HD3' HG22 ' A' ' 224' ' ' VAL . 0.0 OUTLIER -59.38 -36.87 76.58 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.95 179.412 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -66.89 -39.7 87.54 Favored 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 109.007 -0.738 . . . . 10.0 109.007 178.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 26.6 m -65.09 -48.64 72.98 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.494 -0.776 . . . . 10.0 109.419 178.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -59.17 -45.63 90.52 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-N 115.802 -0.636 . . . . 10.0 110.46 179.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 25.5 t60 -63.98 -37.38 87.22 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 115.976 -0.556 . . . . 10.0 110.229 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 555' ' ' LEU . . . . . 0.456 ' HA ' HD12 ' D' ' 558' ' ' LEU . 36.7 tp -60.58 -43.47 97.31 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.171 -0.468 . . . . 10.0 110.249 179.453 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.63 -39.92 95.37 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.879 179.175 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -71.2 -32.26 68.62 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 116.478 -0.328 . . . . 10.0 110.278 178.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 558' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' D' ' 555' ' ' LEU . 29.8 mt -63.91 -48.62 75.88 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-N 115.865 -0.607 . . . . 10.0 109.594 178.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 3.2 p -70.38 -34.26 72.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.211 -0.45 . . . . 10.0 110.29 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -60.83 -37.47 82.12 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.405 179.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.76 -19.18 22.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.945 -0.571 . . . . 10.0 111.241 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -64.79 -48.92 72.7 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.408 -0.36 . . . . 10.0 111.315 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 563' ' ' LYS . . . . . 0.452 ' HB2' ' CD ' ' D' ' 564' ' ' PRO . 61.5 mttt -55.29 -61.03 6.69 Favored Pre-proline 0 C--N 1.328 -0.339 0 N-CA-C 112.491 0.552 . . . . 10.0 112.491 -179.423 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 564' ' ' PRO . . . . . 0.452 ' CD ' ' HB2' ' D' ' 563' ' ' LYS . 20.4 Cg_endo -59.94 -40.45 62.14 Favored 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 122.103 1.868 . . . . 10.0 112.116 -179.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -61.39 -50.7 71.83 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-O 120.779 0.323 . . . . 10.0 110.223 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 67.3 mt -63.0 -45.8 90.67 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.916 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -59.4 -52.45 65.56 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.576 0.213 . . . . 10.0 111.576 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.86 -37.33 84.25 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.601 -0.272 . . . . 10.0 111.481 -178.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 34.8 mt -67.16 -45.24 77.61 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 110.209 -0.293 . . . . 10.0 110.209 178.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -64.29 -51.7 62.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.762 0.315 . . . . 10.0 110.269 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -69.33 -6.72 31.54 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.971 -0.559 . . . . 10.0 111.87 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -100.53 -44.24 2.18 Favored Glycine 0 N--CA 1.442 -0.95 0 N-CA-C 110.317 -1.113 . . . . 10.0 110.317 178.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 573' ' ' LEU . . . . . 0.467 ' O ' ' HG ' ' D' ' 577' ' ' LEU . 75.0 mt -64.7 -39.87 94.39 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 122.187 0.195 . . . . 10.0 111.374 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 74.4 mt -52.42 -61.21 4.86 Favored Pre-proline 0 CA--C 1.539 0.551 0 N-CA-C 112.655 0.613 . . . . 10.0 112.655 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -65.88 -33.39 43.02 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 121.864 1.709 . . . . 10.0 111.167 178.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 8.9 t -64.57 -39.5 85.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.485 -0.325 . . . . 10.0 110.273 178.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 577' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' D' ' 573' ' ' LEU . 78.9 mt -65.06 -42.62 94.05 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 109.782 -0.451 . . . . 10.0 109.782 178.371 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -64.03 -35.99 82.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.362 179.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 17.0 m -73.75 -35.73 65.05 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.799 -0.637 . . . . 10.0 109.475 178.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -68.01 -34.02 75.71 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 116.173 -0.467 . . . . 10.0 109.761 178.62 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -59.97 -36.79 77.89 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 115.889 -0.596 . . . . 10.0 109.7 178.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 60.9 t -62.17 -49.82 82.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 109.567 -0.531 . . . . 10.0 109.567 178.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.29 -27.27 67.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.709 -0.678 . . . . 10.0 111.261 179.549 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -76.28 -53.16 8.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.749 179.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 86.9 mt -56.06 -47.24 78.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.626 -0.716 . . . . 10.0 111.699 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 11.8 p -64.74 -45.97 84.2 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.769 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 587' ' ' ALA . . . . . 0.639 ' HA ' ' HE2' ' A' ' 396' ' ' LYS . . . -59.81 -52.84 63.74 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 116.244 -0.435 . . . . 10.0 111.093 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 588' ' ' LEU . . . . . 0.402 ' CD2' ' H50' ' D' ' 630' ' ' 17F . 81.2 mt -56.98 -44.26 82.5 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.976 -0.556 . . . . 10.0 111.366 -179.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -64.11 -53.85 43.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.325 -0.398 . . . . 10.0 111.193 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -62.26 -36.37 81.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.236 -0.438 . . . . 10.0 111.493 -179.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -65.28 -47.15 77.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.62 -0.264 . . . . 10.0 110.486 179.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 11.5 m -61.11 -33.04 72.75 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.055 0.455 . . . . 10.0 110.974 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -74.84 -41.3 60.13 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.062 0.458 . . . . 10.0 111.469 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 594' ' ' LYS . . . . . 0.521 ' HD3' ' HB3' ' A' ' 388' ' ' SER . 0.2 OUTLIER -79.78 -16.77 54.89 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.975 0.417 . . . . 10.0 111.632 -179.81 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 77.3 mt -112.67 30.62 6.98 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.149 0.499 . . . . 10.0 109.696 178.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.033 -0.53 . . . . 10.0 111.438 -179.667 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.235 0.313 0 CA-C-O 120.958 0.409 . . . . 10.0 110.817 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -73.31 135.87 44.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.76 -0.655 . . . . 10.0 109.852 179.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -104.92 139.86 39.02 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.526 -0.306 . . . . 10.0 110.81 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -133.92 123.29 24.44 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.52 -0.309 . . . . 10.0 110.317 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 39.1 mttm -92.59 112.15 24.0 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.4 -0.364 . . . . 10.0 110.428 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.421 HD22 ' HG ' ' B' ' 159' ' ' LEU . 15.4 mt -114.01 124.68 52.73 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.997 -178.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.518 HG11 ' CD2' ' B' ' 71' ' ' TYR . 97.2 t -114.11 128.6 71.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.332 179.499 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.74 HG12 ' HD2' ' B' ' 16' ' ' LYS . 2.6 t -87.35 118.5 33.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.075 0.464 . . . . 10.0 109.999 179.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.407 HG23 ' HA ' ' B' ' 80' ' ' CYS . 9.9 m -115.46 151.31 17.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 120.904 0.383 . . . . 10.0 111.164 -179.203 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 148.36 -179.6 25.08 Favored Glycine 0 N--CA 1.442 -0.93 0 N-CA-C 110.601 -0.999 . . . . 10.0 110.601 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.31 -173.74 1.16 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.414 0.626 . . . . 10.0 111.485 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -102.41 139.9 37.41 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.624 -0.716 . . . . 10.0 109.871 179.034 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . 0.736 ' HA2' ' HE1' ' B' ' 32' ' ' TYR . . . 91.6 1.06 71.71 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.792 -0.718 . . . . 10.0 112.151 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 27.7 m -79.91 -23.85 11.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 111.545 0.202 . . . . 10.0 111.545 -179.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . 0.503 ' HA2' ' O1A' ' B' ' 201' ' ' GSP . . . 107.74 31.64 3.61 Favored Glycine 0 C--O 1.225 -0.407 0 C-N-CA 120.707 -0.759 . . . . 10.0 113.545 178.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.74 ' HD2' HG12 ' B' ' 8' ' ' VAL . 10.1 mtmm -65.53 -38.75 90.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.934 0.367 . . . . 10.0 110.384 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 2.9 m -74.02 -41.32 62.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.8 -0.636 . . . . 10.0 110.219 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.35 -45.7 80.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.973 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 89.6 mt -63.37 -44.94 93.31 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.361 -0.381 . . . . 10.0 110.987 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 41.3 m -64.69 -42.62 95.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.036 0.446 . . . . 10.0 110.781 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 78.6 mt -64.46 -34.93 72.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.839 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . 0.748 ' HB3' ' HG3' ' B' ' 149' ' ' ARG . 14.6 mm-40 -69.9 -12.76 61.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.2 0.524 . . . . 10.0 110.896 178.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.429 HD22 ' CD2' ' B' ' 156' ' ' PHE . 30.1 tp -100.36 -42.06 6.78 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.934 -0.576 . . . . 10.0 110.872 179.65 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 41.0 mm -84.8 -67.19 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.176 -0.466 . . . . 10.0 111.997 -179.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -76.26 -23.14 54.46 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.536 -0.302 . . . . 10.0 111.72 -179.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 29.7 m-80 68.25 50.08 0.78 Allowed 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 113.516 0.932 . . . . 10.0 113.516 178.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -162.25 166.52 25.33 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.916 -0.402 . . . . 10.0 109.916 178.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -105.51 141.75 36.44 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.077 0.465 . . . . 10.0 111.632 -179.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 2.2 m -115.56 127.75 73.03 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 CA-C-N 115.793 -0.64 . . . . 10.0 110.006 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -90.66 -19.0 24.11 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.439 0.638 . . . . 10.0 110.348 179.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -81.47 140.66 34.48 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.58 -0.736 . . . . 10.0 109.592 179.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . 0.739 ' CD1' H5'2 ' B' ' 201' ' ' GSP . 33.5 t80 -89.8 114.75 26.52 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.545 0.212 . . . . 10.0 110.453 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . 0.412 ' O ' ' S1G' ' B' ' 201' ' ' GSP . 8.6 t70 -113.4 101.2 53.3 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.081 179.069 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.27 115.2 2.21 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 123.083 2.522 . . . . 10.0 112.256 -179.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.408 ' OG1' ' O3G' ' B' ' 201' ' ' GSP . 0.3 OUTLIER -97.44 101.97 13.63 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.845 -179.704 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 31.5 mm -72.32 -52.64 22.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 108.987 -0.746 . . . . 10.0 108.987 179.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -165.58 95.04 0.62 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.091 -0.959 . . . . 10.0 109.392 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -133.98 138.41 45.42 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.655 -0.498 . . . . 10.0 109.655 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 28.9 p -124.98 155.21 40.0 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.5 0.556 . . . . 10.0 112.5 -178.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -135.7 152.21 50.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.949 -0.568 . . . . 10.0 109.89 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -122.96 134.7 54.33 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.692 0.282 . . . . 10.0 110.936 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 40.2 tttp -145.13 136.65 25.27 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.468 -0.333 . . . . 10.0 110.775 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -104.27 123.32 47.15 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.956 -0.757 . . . . 10.0 108.956 178.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 2.4 m -134.2 166.31 29.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 112.729 0.64 . . . . 10.0 112.729 -177.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 14.9 t -105.44 92.34 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.323 -0.853 . . . . 10.0 109.609 179.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 35.3 mt -103.53 122.87 56.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.662 -0.244 . . . . 10.0 110.673 -178.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 59.63 20.56 9.17 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.917 -0.583 . . . . 10.0 112.039 179.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.72 3.14 64.54 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.868 -0.682 . . . . 10.0 112.345 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -109.15 120.76 43.49 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.808 0.337 . . . . 10.0 111.036 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 6.1 m -78.83 108.89 12.61 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.201 -1.037 . . . . 10.0 108.201 178.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -126.89 159.77 32.95 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.632 0.605 . . . . 10.0 112.632 -177.428 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 41.7 tp -107.48 122.68 47.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.377 -0.829 . . . . 10.0 109.103 179.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 35.3 mt -100.21 129.21 46.2 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 112.251 0.463 . . . . 10.0 112.251 -178.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -104.3 98.59 8.36 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.466 -1.309 . . . . 10.0 107.466 178.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 6.9 mt -98.88 136.77 28.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.36 -0.382 . . . . 10.0 111.972 -177.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 49.2 tp -136.73 118.35 14.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.05 -0.523 . . . . 10.0 111.064 179.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . 0.481 ' OD1' ' HE2' ' B' ' 16' ' ' LYS . 16.0 t0 -98.68 132.87 43.73 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 109.59 -0.522 . . . . 10.0 109.59 178.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . 0.524 HG21 ' CE1' ' B' ' 71' ' ' TYR . 0.9 OUTLIER -121.26 153.76 37.24 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.084 0.468 . . . . 10.0 111.914 -179.352 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.69 125.7 26.09 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.704 -0.68 . . . . 10.0 111.383 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -96.83 31.19 7.85 Favored Glycine 0 N--CA 1.451 -0.364 0 N-CA-C 110.562 -1.015 . . . . 10.0 110.562 179.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -88.89 13.29 13.02 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.453 -0.374 . . . . 10.0 111.363 -179.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.447 ' HB3' ' H ' ' B' ' 63' ' ' GLU . 58.4 mm-40 59.33 -161.98 0.25 Allowed 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.654 -0.703 . . . . 10.0 111.894 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.447 ' H ' ' HB3' ' B' ' 62' ' ' GLU . 4.9 tm-20 73.13 -42.33 0.53 Allowed 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.677 0.61 . . . . 10.0 111.76 179.342 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' TYR . . . . . 0.687 ' HB3' ' HB3' ' B' ' 67' ' ' MET . 33.3 m-85 -75.28 65.63 1.64 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.847 0.356 . . . . 10.0 111.46 -179.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.9 -50.5 28.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.174 0.511 . . . . 10.0 110.692 179.664 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.7 -21.62 63.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.656 -0.702 . . . . 10.0 111.532 -179.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . 0.687 ' HB3' ' HB3' ' B' ' 64' ' ' TYR . 37.9 ttp -79.97 -20.86 44.56 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.006 0.432 . . . . 10.0 110.238 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . 0.53 ' HG3' ' OH ' ' B' ' 71' ' ' TYR . 1.7 ttp180 -70.64 -49.1 51.09 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.972 -0.558 . . . . 10.0 111.311 -179.616 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.468 ' O ' ' HG3' ' B' ' 73' ' ' ARG . 0.9 OUTLIER -51.11 -39.43 56.15 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.548 -179.565 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -49.83 -61.85 1.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.339 -0.846 . . . . 10.0 112.669 -179.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' TYR . . . . . 0.53 ' OH ' ' HG3' ' B' ' 68' ' ' ARG . 42.0 p90 -79.05 -19.3 51.74 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 113.466 0.913 . . . . 10.0 113.466 -178.688 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . 0.512 ' HA ' ' HZ ' ' B' ' 78' ' ' PHE . 43.8 mtt -65.07 -30.09 71.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.038 0.447 . . . . 10.0 111.32 179.63 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . 0.468 ' HG3' ' O ' ' B' ' 69' ' ' ASP . 71.5 mtt180 -72.32 -41.89 66.02 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.512 -0.313 . . . . 10.0 111.02 179.371 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 35.2 m -78.63 -42.64 28.29 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.632 0.604 . . . . 10.0 112.632 -178.313 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -56.16 124.35 34.13 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.981 -0.628 . . . . 10.0 113.0 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -89.94 -40.32 12.45 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.036 0.446 . . . . 10.0 110.144 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -122.19 130.28 7.92 Favored Glycine 0 N--CA 1.442 -0.922 0 N-CA-C 110.56 -1.016 . . . . 10.0 110.56 179.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . 0.643 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 92.2 m-85 -110.31 122.48 47.77 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.544 0.688 . . . . 10.0 111.668 -179.01 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.473 HD23 HG13 ' B' ' 8' ' ' VAL . 20.0 tp -95.85 100.72 12.38 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.471 -0.786 . . . . 10.0 109.879 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . 0.407 ' HA ' HG23 ' B' ' 9' ' ' VAL . 0.5 OUTLIER -83.43 107.8 16.17 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.396 -0.365 . . . . 10.0 110.294 179.246 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . 0.472 ' HA ' ' O ' ' B' ' 114' ' ' VAL . 72.4 t -112.4 123.91 68.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.038 0.447 . . . . 10.0 111.037 -179.186 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 42.1 p90 -122.84 165.26 16.94 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.16 -0.682 . . . . 10.0 109.16 179.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.518 ' HB3' ' HB3' ' B' ' 86' ' ' ASN . . . -103.09 130.26 50.19 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.808 -0.441 . . . . 10.0 109.808 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . 0.668 HD13 ' HA ' ' B' ' 118' ' ' CYS . 29.5 pt -64.5 -16.88 20.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 111.855 0.317 . . . . 10.0 111.855 -179.478 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 23.2 p-10 -104.66 13.88 30.77 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.19 0.519 . . . . 10.0 110.365 179.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.518 ' HB3' ' HB3' ' B' ' 83' ' ' ALA . 17.6 t-20 -138.57 87.29 2.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.598 -0.728 . . . . 10.0 109.815 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.55 -29.77 66.62 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.999 -0.546 . . . . 10.0 112.255 -179.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 24.6 tptp -60.2 -45.06 94.45 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.407 -0.361 . . . . 10.0 110.58 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 93.1 p -64.77 -30.39 71.4 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-O 120.863 0.363 . . . . 10.0 110.645 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -70.83 -39.69 72.87 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.424 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -70.24 -32.51 70.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.476 179.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . 0.487 ' HA ' ' HD2' ' B' ' 95' ' ' HIS . 2.3 m-20 -68.25 -21.17 64.84 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.888 -0.596 . . . . 10.0 112.371 -179.689 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 47.9 mm -56.99 -46.36 84.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.66 0.267 . . . . 10.0 111.126 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -63.18 -36.47 83.74 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.044 0.45 . . . . 10.0 111.089 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 95' ' ' HIS . . . . . 0.487 ' HD2' ' HA ' ' B' ' 92' ' ' ASP . 99.7 m-70 -66.53 -41.91 88.02 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.978 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -71.49 -42.25 68.3 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.119 -0.492 . . . . 10.0 110.025 179.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 97' ' ' ARG . . . . . 0.44 ' HD3' ' HE2' ' B' ' 101' ' ' LYS . 2.9 tmt_? -56.06 -48.91 75.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.841 -0.618 . . . . 10.0 111.484 -179.455 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -65.28 -35.38 80.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.642 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -69.71 -45.03 69.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.472 -0.331 . . . . 10.0 111.08 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . 0.431 HG13 ' HE1' ' B' ' 72' ' ' MET . 94.7 mt -55.49 -47.2 78.76 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.027 179.522 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . 0.463 ' HB2' ' HE3' ' B' ' 101' ' ' LYS . 30.6 mtmt -64.57 -24.74 67.7 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.554 -0.748 . . . . 10.0 112.022 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 25.6 ttm180 -77.21 -47.41 20.3 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.89 0.376 . . . . 10.0 110.309 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 39.5 t -63.79 -45.19 97.9 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 CA-C-N 115.773 -0.649 . . . . 10.0 111.058 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . 0.47 ' HD2' ' HE2' ' B' ' 78' ' ' PHE . 26.7 mtpp -80.29 -16.74 53.96 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.65 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 26.8 t70 54.14 66.44 1.23 Allowed 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.288 -0.869 . . . . 10.0 111.37 -179.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 34.8 t -171.66 140.77 1.37 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.511 -0.768 . . . . 10.0 110.282 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -83.7 -18.85 36.53 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.191 -0.67 . . . . 10.0 109.191 178.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -96.98 85.74 3.82 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.688 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 73.5 t -122.61 119.55 28.18 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 116.185 -0.462 . . . . 10.0 109.935 179.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -58.08 110.9 0.7 Allowed 'Trans proline' 0 C--O 1.237 0.458 0 C-N-CA 123.014 2.476 . . . . 10.0 111.664 179.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 111' ' ' MET . . . . . 0.643 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 50.9 mtm -142.64 147.32 35.58 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.635 -0.711 . . . . 10.0 110.171 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 88.8 t -130.66 126.2 60.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 109.506 -0.553 . . . . 10.0 109.506 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 21.0 tp -85.07 112.11 20.36 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.833 -0.432 . . . . 10.0 109.833 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 114' ' ' VAL . . . . . 0.472 ' O ' ' HA ' ' B' ' 81' ' ' VAL . 99.1 t -123.35 130.99 73.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.193 -178.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -101.64 134.22 11.65 Favored Glycine 0 N--CA 1.442 -0.934 0 N-CA-C 110.567 -1.013 . . . . 10.0 110.567 178.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -106.51 164.78 11.78 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.87 0.335 . . . . 10.0 110.445 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . 0.686 ' HB3' HD12 ' B' ' 120' ' ' LEU . 82.9 mttt 65.18 28.25 12.16 Favored 'General case' 0 N--CA 1.463 0.211 0 O-C-N 123.722 0.639 . . . . 10.0 111.625 179.579 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 118' ' ' CYS . . . . . 0.668 ' HA ' HD13 ' B' ' 84' ' ' ILE . 60.3 m -66.62 -10.74 48.9 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 112.754 0.65 . . . . 10.0 112.754 -179.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -91.2 -4.87 55.67 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.897 0.38 . . . . 10.0 110.824 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . 0.686 HD12 ' HB3' ' B' ' 117' ' ' LYS . 14.1 mt -80.95 129.58 67.01 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.75 179.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 121' ' ' PRO . . . . . 0.499 ' HD3' ' HA ' ' B' ' 120' ' ' LEU . 14.9 Cg_exo -69.17 153.49 71.56 Favored 'Trans proline' 0 C--O 1.235 0.325 0 C-N-CA 123.008 2.472 . . . . 10.0 112.092 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 7.4 m 61.5 76.79 0.35 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.676 -0.693 . . . . 10.0 111.988 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 123' ' ' ARG . . . . . 0.593 ' HB3' HD12 ' B' ' 84' ' ' ILE . 6.4 ptp180 -86.48 159.95 19.15 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.768 -0.651 . . . . 10.0 111.014 -179.658 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.38 -39.45 5.66 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.119 -0.491 . . . . 10.0 109.691 178.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 125' ' ' VAL . . . . . 0.561 ' O ' ' HD3' ' B' ' 123' ' ' ARG . 61.6 t -89.64 118.82 35.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 109.231 -0.655 . . . . 10.0 109.231 178.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . 0.6 ' O ' ' HG2' ' B' ' 129' ' ' GLN . 11.6 t70 -82.0 137.76 35.04 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.708 -179.406 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 11.3 m -56.62 -36.55 69.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.066 0.46 . . . . 10.0 111.312 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.14 -49.39 74.07 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.667 -0.697 . . . . 10.0 111.259 -179.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . 0.6 ' HG2' ' O ' ' B' ' 126' ' ' ASP . 3.1 pt20 -70.54 -34.65 72.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.048 0.451 . . . . 10.0 111.666 -179.241 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.79 -41.19 88.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.563 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -71.3 -31.45 67.45 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.926 -0.579 . . . . 10.0 110.47 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -64.06 -40.06 95.44 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 109.47 -0.567 . . . . 10.0 109.47 178.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 23.3 tp -67.78 -40.65 83.95 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.851 -0.613 . . . . 10.0 109.588 178.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.75 -37.0 85.72 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.086 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 135' ' ' ARG . . . . . 0.572 ' HG3' ' HG2' ' C' ' 161' ' ' ARG . 0.3 OUTLIER -64.1 -42.36 96.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.476 179.41 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 23.9 m -70.96 -17.28 62.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.458 0.647 . . . . 10.0 110.911 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 9.6 m-30 -90.46 -39.77 12.42 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.528 -0.76 . . . . 10.0 109.596 178.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 95.12 15.89 43.09 Favored Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 110.723 -0.951 . . . . 10.0 110.723 -179.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 47.4 pt -114.01 157.74 41.22 Favored Pre-proline 0 C--N 1.321 -0.638 0 N-CA-C 110.167 -0.308 . . . . 10.0 110.167 -179.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo -74.94 149.27 36.74 Favored 'Trans proline' 0 C--O 1.236 0.422 0 C-N-CA 122.784 2.323 . . . . 10.0 112.575 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -119.42 134.59 55.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.767 -0.651 . . . . 10.0 109.52 179.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 142' ' ' ILE . . . . . 0.409 ' CD1' ' HA ' ' B' ' 155' ' ' ALA . 26.9 mt -133.32 137.05 53.99 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 CA-C-O 120.99 0.424 . . . . 10.0 111.739 -179.239 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -99.23 121.55 41.21 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 108.594 -0.891 . . . . 10.0 108.594 178.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 144' ' ' THR . . . . . 0.505 HG22 ' HA3' ' B' ' 151' ' ' GLY . 72.0 p -134.28 179.24 6.39 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.564 0.697 . . . . 10.0 112.545 -178.079 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 3.0 t -153.21 126.15 8.4 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.822 -1.081 . . . . 10.0 108.429 178.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 146' ' ' ALA . . . . . 0.534 ' HB3' ' N7 ' ' B' ' 201' ' ' GSP . . . -78.54 -30.51 47.01 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.915 -0.402 . . . . 10.0 109.915 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -63.11 -35.45 80.32 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.673 -0.694 . . . . 10.0 111.136 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 32.2 p -104.85 -11.66 16.65 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 121.02 -0.272 . . . . 10.0 111.558 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 149' ' ' ARG . . . . . 0.748 ' HG3' ' HB3' ' B' ' 22' ' ' GLN . 2.8 ttt-85 63.7 25.38 14.2 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.196 0.522 . . . . 10.0 111.127 -178.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -91.57 129.65 37.51 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.238 -179.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 151' ' ' GLY . . . . . 0.505 ' HA3' HG22 ' B' ' 144' ' ' THR . . . 85.63 -8.87 70.21 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.992 -0.623 . . . . 10.0 112.208 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 54.7 t -56.22 -42.28 72.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.015 0.436 . . . . 10.0 111.369 -179.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -67.54 -50.37 58.97 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.779 0.323 . . . . 10.0 111.025 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -56.3 -41.1 75.39 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.887 -0.597 . . . . 10.0 111.892 -178.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 155' ' ' ALA . . . . . 0.409 ' HA ' ' CD1' ' B' ' 142' ' ' ILE . . . -59.1 -53.9 53.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.964 -0.562 . . . . 10.0 111.568 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 156' ' ' PHE . . . . . 0.429 ' CD2' HD22 ' B' ' 23' ' ' LEU . 18.7 m-85 -68.58 -35.74 77.78 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.223 -0.444 . . . . 10.0 112.186 -178.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -61.12 -45.3 95.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.073 0.463 . . . . 10.0 110.578 179.191 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 22.8 m -69.18 -34.09 74.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.817 -0.628 . . . . 10.0 110.791 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 159' ' ' LEU . . . . . 0.421 ' HG ' HD22 ' B' ' 6' ' ' LEU . 32.9 tp -60.02 -42.74 95.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.023 -0.535 . . . . 10.0 111.314 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 62.8 t -74.39 -40.57 49.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.717 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 161' ' ' ARG . . . . . 0.891 ' HG2' ' HG3' ' C' ' 135' ' ' ARG . 7.5 ttp180 -57.5 -37.11 72.45 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.454 -0.794 . . . . 10.0 111.75 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -62.77 -37.17 85.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.386 -0.37 . . . . 10.0 110.837 179.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 163' ' ' ILE . . . . . 0.444 ' O ' ' HG3' ' B' ' 167' ' ' LYS . 59.2 mt -65.42 -42.63 93.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 N-CA-C 109.327 -0.62 . . . . 10.0 109.327 179.348 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 -60.94 -41.74 96.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 10.0 109.713 178.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 165' ' ' LYS . . . . . 0.47 ' HB2' ' HD3' ' C' ' 135' ' ' ARG . 34.7 ttmt -60.22 -47.38 86.2 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.537 -0.756 . . . . 10.0 110.327 179.326 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 11.2 t-160 -61.93 -46.68 88.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.846 -0.615 . . . . 10.0 111.519 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 167' ' ' LYS . . . . . 0.444 ' HG3' ' O ' ' B' ' 163' ' ' ILE . 61.8 mttt -63.1 -39.04 93.54 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.796 0.295 . . . . 10.0 111.796 -179.394 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -69.53 -43.03 73.83 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.18 0.514 . . . . 10.0 109.965 179.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 45.3 tttm -62.57 -35.42 79.43 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.386 -0.824 . . . . 10.0 111.605 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 82.4 mmm -67.43 -21.83 65.54 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.453 -0.339 . . . . 10.0 111.377 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 49.9 m -80.34 -16.84 53.64 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 121.426 0.631 . . . . 10.0 109.992 178.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -88.99 -33.87 17.04 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.636 -0.876 . . . . 10.0 108.636 178.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 173' ' ' ASP . . . . . . . . . . . . . 2.3 t70 68.8 -173.93 0.19 Allowed 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.356 -0.838 . . . . 10.0 110.097 -179.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . -78.16 -37.27 29.03 Favored Glycine 0 N--CA 1.451 -0.324 0 N-CA-C 109.602 -1.399 . . . . 10.0 109.602 178.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 175' ' ' LYS . . . . . 0.754 ' HB3' ' H1 ' ' C' ' 215' ' ' 17F . 3.0 ttmm -177.5 -162.24 0.07 Allowed 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 107.56 -1.274 . . . . 10.0 107.56 179.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 176' ' ' LYS . . . . . 0.638 ' HE3' ' O1 ' ' C' ' 215' ' ' 17F . 20.4 ttmt 69.24 -67.91 0.2 Allowed 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 122.726 0.41 . . . . 10.0 111.844 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 177' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -75.58 -80.08 0.09 Allowed 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.443 0.534 . . . . 10.0 112.443 -178.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 178' ' ' LYS . . . . . 0.401 ' HE3' ' H6 ' ' B' ' 210' ' ' 17F . 0.0 OUTLIER 64.31 53.05 1.78 Allowed 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 120.998 0.428 . . . . 10.0 110.856 -178.699 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 179' ' ' LYS . . . . . 0.811 ' HG3' ' H12' ' B' ' 207' ' ' PCW . 57.5 tttt -68.88 -56.91 6.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.002 -0.545 . . . . 10.0 111.557 -178.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 180' ' ' LYS . . . . . 0.426 ' HD3' ' HA ' ' B' ' 180' ' ' LYS . 24.8 mmtp -89.44 63.45 6.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.021 0.439 . . . . 10.0 111.842 -179.447 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 69.1 m -83.17 116.91 22.57 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.915 -0.584 . . . . 10.0 111.327 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 182' ' ' LYS . . . . . 0.441 ' HE3' ' HB2' ' B' ' 182' ' ' LYS . 31.3 ttmt -97.49 72.31 2.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.985 -0.552 . . . . 10.0 109.965 -179.735 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 183' ' ' THR . . . . . 0.976 ' HB ' ' H73' ' A' ' 409' ' ' PCW . 1.7 p -100.52 -179.83 4.22 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.837 -0.619 . . . . 10.0 110.824 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 184' ' ' LYS . . . . . 0.435 ' N ' ' C7 ' ' A' ' 409' ' ' PCW . 27.3 mttt . . . . . 0 C--O 1.237 0.4 0 CA-C-O 120.746 0.308 . . . . 10.0 111.318 -178.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 4.2 m . . . . . 0 N--CA 1.45 -0.43 0 CA-C-O 120.739 0.304 . . . . 10.0 110.351 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -81.17 129.76 34.72 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.365 -0.38 . . . . 10.0 110.646 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -90.19 138.86 31.18 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.916 -0.402 . . . . 10.0 109.916 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -133.78 120.55 20.66 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 110.096 -0.335 . . . . 10.0 110.096 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 5' ' ' LYS . . . . . 0.49 ' HA ' ' HB3' ' C' ' 54' ' ' ASP . 58.1 mttm -85.53 106.09 16.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.948 0.404 . . . . 10.0 111.063 -179.247 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . 0.458 ' O ' ' HA ' ' C' ' 55' ' ' ILE . 44.2 mt -106.68 118.62 37.15 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.687 -0.688 . . . . 10.0 110.781 -179.119 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 58.1 t -106.63 128.35 61.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.544 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.686 HG12 ' HD2' ' C' ' 16' ' ' LYS . 4.6 t -93.45 119.65 41.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 109.627 -0.508 . . . . 10.0 109.627 179.465 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 7.0 m -116.94 140.98 37.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.959 0.409 . . . . 10.0 111.154 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 166.57 168.23 28.44 Favored Glycine 0 N--CA 1.444 -0.809 0 C-N-CA 120.598 -0.811 . . . . 10.0 111.464 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.39 -164.93 0.09 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.732 0.777 . . . . 10.0 112.805 -179.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -86.02 142.96 28.38 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.395 -0.82 . . . . 10.0 111.976 -179.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 13' ' ' GLY . . . . . 0.949 ' HA2' H5'1 ' C' ' 201' ' ' GSP . . . 59.35 30.47 67.91 Favored Glycine 0 N--CA 1.448 -0.543 0 CA-C-N 115.493 -0.776 . . . . 10.0 114.663 178.666 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 22.4 m -89.76 -28.33 5.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 117.634 0.717 . . . . 10.0 111.663 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . 0.712 ' HA2' ' H8 ' ' C' ' 201' ' ' GSP . . . 118.82 18.89 4.6 Favored Glycine 0 C--O 1.227 -0.284 0 C-N-CA 120.654 -0.784 . . . . 10.0 114.243 178.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . 0.686 ' HD2' HG12 ' C' ' 8' ' ' VAL . 15.5 mtmm -62.03 -42.94 99.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.398 0.618 . . . . 10.0 111.024 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 17' ' ' SER . . . . . 0.516 ' HB2' ' O1A' ' C' ' 201' ' ' GSP . 24.5 m -72.87 -43.56 62.39 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.916 -0.583 . . . . 10.0 110.06 179.697 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.76 -47.21 83.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.356 -0.384 . . . . 10.0 111.413 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 19' ' ' LEU . . . . . 0.403 HD23 HG22 ' C' ' 152' ' ' VAL . 36.0 mt -59.73 -47.89 83.85 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.984 0.421 . . . . 10.0 110.77 179.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 11.8 m -65.85 -49.16 69.15 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 115.603 -0.726 . . . . 10.0 112.205 -179.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 88.7 mt -60.48 -39.19 80.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.034 0.445 . . . . 10.0 110.891 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 22' ' ' GLN . . . . . 0.572 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 1.7 mm100 -69.01 -15.02 63.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.17 -0.468 . . . . 10.0 111.524 179.436 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 18.4 tp -97.94 -37.38 9.82 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.172 0.511 . . . . 10.0 110.871 179.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 41.7 mm -79.13 -63.61 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.077 -0.51 . . . . 10.0 111.347 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 25' ' ' GLN . . . . . 0.42 ' HB2' ' HD2' ' C' ' 27' ' ' HIS . 69.4 mt-30 -89.06 -18.01 28.16 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.715 0.265 . . . . 10.0 111.715 -179.09 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 26' ' ' ASN . . . . . 0.572 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 24.5 m-80 67.67 40.96 2.37 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 113.583 0.957 . . . . 10.0 113.583 178.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 27' ' ' HIS . . . . . 0.42 ' HD2' ' HB2' ' C' ' 25' ' ' GLN . 3.9 p80 -141.75 152.19 43.57 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.15 -0.477 . . . . 10.0 109.893 178.422 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -104.49 130.54 52.41 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.966 0.412 . . . . 10.0 110.813 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 2.9 m -96.24 145.46 8.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.02 -0.537 . . . . 10.0 110.203 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -101.43 -17.34 16.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.317 0.579 . . . . 10.0 110.186 179.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -92.23 140.28 29.77 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.461 -0.79 . . . . 10.0 110.289 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 32' ' ' TYR . . . . . 0.603 ' CE1' H5'2 ' C' ' 201' ' ' GSP . 5.5 t80 -86.98 119.79 27.56 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.997 -0.547 . . . . 10.0 111.131 -179.651 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . 0.404 ' HA ' ' HD3' ' C' ' 34' ' ' PRO . 19.1 t70 -111.74 115.06 51.61 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.218 -0.447 . . . . 10.0 110.362 178.605 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 34' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' C' ' 33' ' ' ASP . 22.1 Cg_exo -66.27 100.86 0.48 Allowed 'Trans proline' 0 N--CA 1.462 -0.357 0 C-N-CA 122.551 2.167 . . . . 10.0 111.466 179.655 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -88.5 132.95 34.29 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.344 179.688 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . 0.717 ' HA ' ' HB2' ' C' ' 59' ' ' ALA . 48.0 mm -104.78 -58.04 4.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.028 -0.73 . . . . 10.0 109.028 178.401 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -152.01 89.79 1.48 Allowed 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.713 -0.676 . . . . 10.0 110.24 179.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -128.16 130.18 47.66 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 110.055 -0.35 . . . . 10.0 110.055 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 22.6 p -120.48 151.92 38.7 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.22 0.533 . . . . 10.0 112.425 -178.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -133.07 154.67 50.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.741 -0.663 . . . . 10.0 109.405 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -123.4 124.14 42.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.967 0.413 . . . . 10.0 111.068 -179.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -137.34 135.19 36.83 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.458 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -110.18 114.15 27.41 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.06 0.457 . . . . 10.0 110.477 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 5.9 m -127.27 169.03 19.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.967 -0.56 . . . . 10.0 111.129 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 47.0 t -96.93 99.79 9.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.938 0.399 . . . . 10.0 110.412 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 49.6 mt -107.25 119.81 57.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.299 -0.41 . . . . 10.0 110.794 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 66.93 8.35 6.02 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.249 -0.887 . . . . 10.0 112.24 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 111.68 -18.66 24.51 Favored Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.701 -0.762 . . . . 10.0 112.539 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 49' ' ' GLU . . . . . 0.483 ' HB3' ' NH2' ' C' ' 164' ' ' ARG . 45.1 tt0 -104.6 137.22 42.76 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.607 0.242 . . . . 10.0 110.47 -179.613 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -69.71 127.13 31.87 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.673 -0.491 . . . . 10.0 109.673 179.279 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 9.1 m -125.16 135.2 52.4 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 112.065 0.395 . . . . 10.0 112.065 -178.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 53.2 tp -94.84 104.43 16.33 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.077 -1.083 . . . . 10.0 108.077 178.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 32.1 mt -82.45 116.25 21.82 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 112.628 0.603 . . . . 10.0 112.628 -177.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . 0.49 ' HB3' ' HA ' ' C' ' 5' ' ' LYS . 32.7 t70 -98.59 88.85 4.2 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 107.436 -1.32 . . . . 10.0 107.436 177.339 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 55' ' ' ILE . . . . . 0.458 ' HA ' ' O ' ' C' ' 6' ' ' LEU . 21.3 mt -93.61 135.1 29.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.765 -0.652 . . . . 10.0 111.736 -177.643 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 22.5 tp -133.33 122.77 24.3 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.88 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 57' ' ' ASP . . . . . 0.57 ' OD1' ' HE2' ' C' ' 16' ' ' LYS . 24.5 t0 -87.25 132.65 33.84 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 109.215 -0.661 . . . . 10.0 109.215 178.618 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 44.8 p -103.16 149.99 24.1 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.92 0.39 . . . . 10.0 111.427 -178.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 59' ' ' ALA . . . . . 0.717 ' HB2' ' HA ' ' C' ' 36' ' ' ILE . . . -69.27 111.93 5.51 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.356 179.123 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -85.4 25.76 6.14 Favored Glycine 0 C--O 1.23 -0.121 0 C-N-CA 120.839 -0.696 . . . . 10.0 112.983 -179.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -95.18 6.81 48.02 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.529 0.204 . . . . 10.0 110.973 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 62' ' ' GLU . . . . . 0.452 ' HA ' ' OE1' ' C' ' 62' ' ' GLU . 0.7 OUTLIER 62.59 -148.76 0.36 Allowed 'General case' 0 C--O 1.236 0.367 0 N-CA-C 109.46 -0.57 . . . . 10.0 109.46 -178.678 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 72.28 -49.29 0.69 Allowed 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 112.604 0.594 . . . . 10.0 112.604 178.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 64' ' ' TYR . . . . . 0.736 ' HB3' ' HB3' ' C' ' 67' ' ' MET . 54.8 m-85 -75.93 70.71 2.69 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.597 0.592 . . . . 10.0 112.597 -178.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.18 -25.66 52.07 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.925 0.393 . . . . 10.0 110.721 179.477 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -91.83 -35.99 13.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.495 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 67' ' ' MET . . . . . 0.736 ' HB3' ' HB3' ' C' ' 64' ' ' TYR . 34.7 ttp -67.16 -25.56 66.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.387 0.613 . . . . 10.0 110.928 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 68' ' ' ARG . . . . . 0.606 ' HA ' ' CZ ' ' C' ' 71' ' ' TYR . 0.2 OUTLIER -66.07 -31.24 72.0 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.668 -0.697 . . . . 10.0 111.477 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -59.31 -36.41 75.57 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 112.746 0.647 . . . . 10.0 112.746 -178.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -64.25 -59.83 3.93 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 113.138 0.792 . . . . 10.0 113.138 -178.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 71' ' ' TYR . . . . . 0.606 ' CZ ' ' HA ' ' C' ' 68' ' ' ARG . 7.8 p90 -69.06 -21.92 64.06 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.043 1.127 . . . . 10.0 114.043 -178.615 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 72' ' ' MET . . . . . 0.605 ' HE1' HG13 ' C' ' 100' ' ' ILE . 26.6 mtt -72.91 -28.93 62.75 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.122 0.487 . . . . 10.0 111.127 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 36.7 ttm105 -86.12 -35.34 20.25 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.419 179.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 3.3 m -79.5 -23.22 43.11 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.806 -0.634 . . . . 10.0 111.836 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -82.08 143.99 23.44 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.595 -0.812 . . . . 10.0 113.588 -179.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -102.09 -54.13 2.77 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.307 0.575 . . . . 10.0 109.791 179.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -106.34 132.28 11.05 Favored Glycine 0 N--CA 1.445 -0.703 0 N-CA-C 110.816 -0.914 . . . . 10.0 110.816 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 78' ' ' PHE . . . . . 0.701 ' HB2' ' HG2' ' C' ' 111' ' ' MET . 97.6 m-85 -113.96 124.4 52.08 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.182 0.515 . . . . 10.0 111.939 -179.255 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 16.8 tp -98.81 107.82 20.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.747 -0.66 . . . . 10.0 109.963 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 80' ' ' CYS . . . . . 0.615 ' HB3' HD12 ' C' ' 93' ' ' ILE . 4.2 m -82.85 92.76 7.34 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.45 -179.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 62.7 t -95.22 130.28 44.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.087 0.47 . . . . 10.0 111.543 -179.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 82' ' ' PHE . . . . . 0.594 ' HB2' ' HB2' ' C' ' 89' ' ' SER . 29.4 p90 -144.22 147.85 34.16 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.697 -0.683 . . . . 10.0 109.847 178.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -88.0 134.37 33.75 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.489 -0.323 . . . . 10.0 110.168 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 84' ' ' ILE . . . . . . . . . . . . . 29.6 pt -69.0 -15.73 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.953 0.406 . . . . 10.0 111.858 -179.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 26.4 p-10 -104.15 22.47 14.67 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.45 0.643 . . . . 10.0 110.056 179.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 86' ' ' ASN . . . . . 0.536 ' OD1' ' HB3' ' C' ' 88' ' ' LYS . 38.0 t-20 -147.13 99.39 3.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.609 -0.723 . . . . 10.0 110.518 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 1.8 m -63.46 -26.89 68.93 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.003 -0.544 . . . . 10.0 111.932 -179.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 88' ' ' LYS . . . . . 0.536 ' HB3' ' OD1' ' C' ' 86' ' ' ASN . 21.6 tptp -57.51 -49.38 76.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.682 -0.236 . . . . 10.0 110.52 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . 0.594 ' HB2' ' HB2' ' C' ' 82' ' ' PHE . 0.1 OUTLIER -66.89 -27.2 67.32 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.052 -0.522 . . . . 10.0 111.918 -179.887 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -69.41 -49.58 53.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.834 0.349 . . . . 10.0 111.258 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -74.34 -23.86 59.1 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.362 -0.381 . . . . 10.0 111.034 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 92' ' ' ASP . . . . . 0.435 ' O ' ' HD2' ' C' ' 96' ' ' TYR . 3.1 m-20 -64.92 -25.73 68.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.913 -0.585 . . . . 10.0 111.466 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 93' ' ' ILE . . . . . 0.615 HD12 ' HB3' ' C' ' 80' ' ' CYS . 36.8 mm -54.93 -41.7 59.59 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 CA-C-O 120.962 0.411 . . . . 10.0 110.653 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -61.46 -43.77 98.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.937 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 60.8 m-70 -62.97 -43.12 99.65 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.618 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 96' ' ' TYR . . . . . 0.435 ' HD2' ' O ' ' C' ' 92' ' ' ASP . 31.2 m-85 -64.84 -44.36 90.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.622 179.521 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 35.0 ttt-85 -56.88 -45.13 82.73 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 116.303 -0.408 . . . . 10.0 111.389 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -64.12 -43.73 94.42 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.464 -0.335 . . . . 10.0 111.075 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 99' ' ' GLN . . . . . 0.401 ' O ' HG23 ' C' ' 103' ' ' VAL . 42.8 tt0 -64.04 -43.53 95.27 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.927 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 100' ' ' ILE . . . . . 0.605 HG13 ' HE1' ' C' ' 72' ' ' MET . 77.0 mt -60.56 -50.38 80.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.085 0.469 . . . . 10.0 110.284 179.607 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 101' ' ' LYS . . . . . 0.489 ' HD2' ' HA ' ' C' ' 107' ' ' GLU . 5.2 mtmp? -63.98 -28.31 69.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.876 -0.602 . . . . 10.0 111.796 -179.6 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 14.0 ttm180 -75.13 -48.95 21.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.575 179.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 103' ' ' VAL . . . . . 0.401 HG23 ' O ' ' C' ' 99' ' ' GLN . 87.2 t -63.48 -48.06 88.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.881 -179.464 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -77.55 -15.68 59.11 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.803 0.335 . . . . 10.0 111.411 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 28.6 t70 57.34 53.44 7.59 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.518 -0.764 . . . . 10.0 111.207 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 15.9 t -161.05 143.04 12.18 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.507 -0.77 . . . . 10.0 109.97 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 107' ' ' GLU . . . . . 0.489 ' HA ' ' HD2' ' C' ' 101' ' ' LYS . 1.3 tp10 -85.1 -24.21 28.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.155 179.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -96.25 96.61 8.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.177 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 60.6 t -130.59 129.75 22.8 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.135 -0.484 . . . . 10.0 109.913 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -62.56 99.72 0.21 Allowed 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.602 2.202 . . . . 10.0 111.928 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 111' ' ' MET . . . . . 0.701 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 85.2 mtp -132.24 144.08 50.37 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.214 -179.576 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 68.9 t -129.28 132.12 67.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.311 -0.404 . . . . 10.0 110.547 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 19.8 tp -87.31 120.68 28.85 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.742 -0.466 . . . . 10.0 109.742 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 4.7 t -123.79 118.66 54.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 112.598 0.592 . . . . 10.0 112.598 -179.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -93.34 127.32 8.97 Favored Glycine 0 N--CA 1.443 -0.874 0 N-CA-C 109.188 -1.565 . . . . 10.0 109.188 177.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 116' ' ' ASN . . . . . 0.414 ' ND2' ' HA3' ' C' ' 15' ' ' GLY . 65.7 t30 -112.86 164.92 12.83 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 112.493 0.553 . . . . 10.0 112.493 -178.255 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 117' ' ' LYS . . . . . 0.457 ' HB3' HD12 ' C' ' 120' ' ' LEU . 81.1 mttt 70.76 32.5 2.47 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 113.134 0.79 . . . . 10.0 113.134 179.125 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 118' ' ' CYS . . . . . . . . . . . . . 91.5 m -75.2 11.05 1.27 Allowed 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.491 0.552 . . . . 10.0 112.491 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -97.92 -15.33 20.2 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.659 0.742 . . . . 10.0 109.244 179.14 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 120' ' ' LEU . . . . . 0.457 HD12 ' HB3' ' C' ' 117' ' ' LYS . 15.9 mt -88.61 145.53 35.44 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.123 -0.944 . . . . 10.0 111.204 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -84.73 177.13 5.73 Favored 'Trans proline' 0 N--CA 1.455 -0.744 0 C-N-CA 122.44 2.093 . . . . 10.0 110.598 178.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 1.6 m 56.86 68.13 0.9 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.008 0.432 . . . . 10.0 111.061 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 123' ' ' ARG . . . . . 0.458 ' HD3' ' O ' ' C' ' 125' ' ' VAL . 5.1 ptp180 -80.56 137.27 36.39 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.152 -0.477 . . . . 10.0 111.789 -179.462 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.19 -42.28 10.53 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.321 0.582 . . . . 10.0 109.893 179.38 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 125' ' ' VAL . . . . . 0.458 ' O ' ' HD3' ' C' ' 123' ' ' ARG . 58.2 t -89.65 128.74 41.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.533 -0.758 . . . . 10.0 109.617 179.107 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 126' ' ' ASP . . . . . 0.557 ' O ' ' HG2' ' C' ' 129' ' ' GLN . 1.7 t0 -90.38 139.73 30.39 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.779 -179.542 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 127' ' ' THR . . . . . 0.42 ' O ' ' HG3' ' C' ' 131' ' ' GLN . 5.5 m -60.87 -45.29 95.13 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.405 -0.361 . . . . 10.0 111.31 -179.197 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 4.9 ptmt -57.08 -36.39 70.52 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 113.881 1.067 . . . . 10.0 113.881 -178.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 129' ' ' GLN . . . . . 0.557 ' HG2' ' O ' ' C' ' 126' ' ' ASP . 2.8 pt20 -74.32 -22.57 59.19 Favored 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 111.973 0.36 . . . . 10.0 111.973 -179.191 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -93.32 -27.13 16.97 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.024 179.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 131' ' ' GLN . . . . . 0.559 ' HB3' ' CZ ' ' B' ' 161' ' ' ARG . 82.2 mt-30 -60.15 -60.44 3.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.557 -0.747 . . . . 10.0 112.182 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 132' ' ' ASP . . . . . 0.55 ' HA ' ' HD2' ' B' ' 161' ' ' ARG . 18.6 t70 -69.81 -22.4 63.31 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.741 0.305 . . . . 10.0 111.666 -179.716 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 56.4 tp -64.02 -43.51 95.39 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.757 -0.831 . . . . 10.0 108.757 178.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 134' ' ' ALA . . . . . 0.412 ' HB1' HG13 ' C' ' 139' ' ' ILE . . . -73.62 -29.15 62.19 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.607 -0.724 . . . . 10.0 110.503 179.113 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 135' ' ' ARG . . . . . 0.891 ' HG3' ' HG2' ' B' ' 161' ' ' ARG . 6.4 tmm_? -64.25 -42.9 96.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.886 179.502 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 8.7 t -58.39 -34.35 70.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.951 -179.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -93.77 -24.44 17.8 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.029 0.442 . . . . 10.0 111.735 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 86.71 43.1 6.19 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.867 -0.683 . . . . 10.0 112.152 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 139' ' ' ILE . . . . . 0.412 HG13 ' HB1' ' C' ' 134' ' ' ALA . 10.6 pt -122.24 145.73 45.02 Favored Pre-proline 0 C--N 1.326 -0.421 0 N-CA-C 110.422 -0.214 . . . . 10.0 110.422 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 140' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' C' ' 139' ' ' ILE . 16.3 Cg_exo -68.37 147.63 72.01 Favored 'Trans proline' 0 C--O 1.236 0.399 0 C-N-CA 122.916 2.41 . . . . 10.0 112.197 -179.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -130.12 119.42 23.0 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.812 -0.631 . . . . 10.0 110.546 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 54.8 mt -119.65 133.63 65.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.077 -0.712 . . . . 10.0 109.077 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -125.02 105.85 9.5 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 110.264 -0.273 . . . . 10.0 110.264 -179.603 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 144' ' ' THR . . . . . 0.5 ' HB ' ' H ' ' C' ' 145' ' ' SER . 0.1 OUTLIER -149.54 -146.81 0.21 Allowed 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 111.691 0.256 . . . . 10.0 111.691 -179.774 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 145' ' ' SER . . . . . 0.5 ' H ' ' HB ' ' C' ' 144' ' ' THR . 28.8 t -154.65 143.19 20.64 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.009 0.433 . . . . 10.0 111.257 -178.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -77.68 -32.66 53.23 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.279 -0.637 . . . . 10.0 109.279 178.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -56.8 -39.87 74.92 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.107 -0.952 . . . . 10.0 111.13 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 148' ' ' THR . . . . . 0.421 ' C ' ' H ' ' C' ' 150' ' ' GLN . 0.0 OUTLIER -90.39 -9.83 46.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 10.0 111.575 -179.848 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 73.65 -28.98 0.19 Allowed 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.653 0.781 . . . . 10.0 112.323 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 150' ' ' GLN . . . . . 0.421 ' H ' ' C ' ' C' ' 148' ' ' THR . 56.6 tt0 -62.91 127.21 30.2 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.868 -0.605 . . . . 10.0 110.499 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 99.2 -16.8 58.81 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.91 -0.662 . . . . 10.0 112.867 179.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 152' ' ' VAL . . . . . 0.403 HG22 HD23 ' C' ' 19' ' ' LEU . 98.8 t -68.0 -39.64 81.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.715 0.293 . . . . 10.0 111.076 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -59.64 -54.08 50.61 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.81 0.338 . . . . 10.0 110.589 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -63.04 -33.81 76.24 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.867 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -56.4 -32.08 64.47 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.374 -0.375 . . . . 10.0 111.624 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -101.3 -27.68 13.05 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.405 -0.361 . . . . 10.0 111.283 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -66.96 -55.5 14.25 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.33 0.493 . . . . 10.0 112.33 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 158' ' ' THR . . . . . 0.414 ' O ' ' HG2' ' C' ' 162' ' ' GLU . 22.9 m -60.21 -34.92 74.32 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 120.683 0.277 . . . . 10.0 111.508 -179.529 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 57.1 tp -58.4 -46.8 85.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 10.0 111.312 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 98.6 t -66.77 -37.88 80.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.195 0.522 . . . . 10.0 110.355 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 161' ' ' ARG . . . . . 0.572 ' HG2' ' HG3' ' B' ' 135' ' ' ARG . 8.9 ttp180 -64.59 -34.71 78.9 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.571 -0.74 . . . . 10.0 111.061 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 162' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' C' ' 158' ' ' THR . 5.0 mm-40 -66.87 -31.99 72.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.351 -0.386 . . . . 10.0 110.668 179.23 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 57.2 mt -65.67 -38.11 81.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 108.922 -0.77 . . . . 10.0 108.922 178.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 164' ' ' ARG . . . . . 0.483 ' NH2' ' HB3' ' C' ' 49' ' ' GLU . 69.3 mtt180 -69.47 -44.53 70.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.123 -0.944 . . . . 10.0 109.114 178.605 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 165' ' ' LYS . . . . . 0.419 ' O ' ' HB2' ' C' ' 169' ' ' LYS . 31.7 ttmt -59.71 -40.13 86.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.78 -0.646 . . . . 10.0 110.753 179.602 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 19.8 t-80 -55.76 -46.83 77.78 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.06 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -62.51 -46.15 89.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.075 -0.511 . . . . 10.0 111.03 -179.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 168' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' C' ' 164' ' ' ARG . 29.6 mt-10 -65.85 -41.26 91.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.3 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 169' ' ' LYS . . . . . 0.419 ' HB2' ' O ' ' C' ' 165' ' ' LYS . 0.4 OUTLIER -63.65 -45.11 91.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.666 -0.697 . . . . 10.0 110.379 -179.802 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 170' ' ' MET . . . . . 0.58 ' HA ' ' HB2' ' C' ' 173' ' ' ASP . 80.9 mmm -65.03 -27.44 68.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.871 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 47.6 m -70.12 -24.11 63.14 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.051 0.453 . . . . 10.0 110.709 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -103.03 -2.62 27.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.019 -0.537 . . . . 10.0 109.762 179.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 173' ' ' ASP . . . . . 0.58 ' HB2' ' HA ' ' C' ' 170' ' ' MET . 0.5 OUTLIER -78.34 -11.87 59.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.685 -0.689 . . . . 10.0 111.575 -179.041 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . -85.79 58.97 4.8 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.841 -0.695 . . . . 10.0 112.084 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 175' ' ' LYS . . . . . . . . . . . . . 10.0 tmtt? -91.8 138.04 31.87 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.757 0.313 . . . . 10.0 110.445 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 176' ' ' LYS . . . . . 0.629 ' HE2' ' H42' ' C' ' 205' ' ' PCW . 0.6 OUTLIER -149.16 -155.01 0.59 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.176 -0.465 . . . . 10.0 110.735 179.203 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 177' ' ' LYS . . . . . 0.838 ' HD3' ' H12' ' C' ' 212' ' ' PCW . 28.9 tptp 74.86 106.19 0.07 Allowed 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.298 0.57 . . . . 10.0 112.464 179.697 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 178' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -93.79 177.66 5.93 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.592 -0.731 . . . . 10.0 109.771 178.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 179' ' ' LYS . . . . . 0.806 ' HB3' ' H20' ' C' ' 215' ' ' 17F . 8.4 tmtm? -95.39 -39.46 10.0 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.76 0.314 . . . . 10.0 110.558 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 180' ' ' LYS . . . . . 0.681 ' HD3' ' H9A' ' C' ' 215' ' ' 17F . 0.0 OUTLIER -59.05 131.49 51.2 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 116.286 -0.415 . . . . 10.0 110.769 178.739 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 19.6 m -116.71 -111.16 0.35 Allowed 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 112.263 0.468 . . . . 10.0 112.263 -179.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 182' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.42 163.07 16.59 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 110.14 -0.319 . . . . 10.0 110.14 -179.47 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.77 114.09 16.28 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.488 -0.324 . . . . 10.0 110.563 179.392 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 184' ' ' LYS . . . . . 0.51 ' O ' ' H73' ' C' ' 203' ' ' PCW . 49.3 mttp . . . . . 0 C--O 1.236 0.382 0 CA-C-N 116.394 -0.366 . . . . 10.0 111.556 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 401' ' ' PCW . . . . . 1.032 ' H12' H342 ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 402' ' ' PCW . . . . . 0.884 H451 ' H51' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 403' ' ' PCW . . . . . 1.188 ' C31' H362 ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 404' ' ' PCW . . . . . 1.107 ' C16' H421 ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 405' ' ' PCW . . . . . 1.093 H371 H461 ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 406' ' ' PCW . . . . . 1.083 H472 H262 ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 407' ' ' PCW . . . . . 1.076 H212 ' C17' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 408' ' ' PCW . . . . . 1.059 H152 H232 ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 409' ' ' PCW . . . . . 1.19 ' C19' H142 ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 410' ' ' PCW . . . . . 1.027 ' C37' H321 ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 411' ' ' PCW . . . . . 1.093 H461 H371 ' A' ' 405' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 412' ' ' PCW . . . . . 1.004 H371 ' H39' ' A' ' 410' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 413' ' ' PCW . . . . . 0.869 ' H82' ' O2P' ' C' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 414' ' ' PCW . . . . . 1.01 H472 H432 ' A' ' 414' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 415' ' ' 17F . . . . . 1.088 ' H54' H472 ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 416' ' ' 17F . . . . . 1.043 ' H57' H151 ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 417' ' ' PCW . . . . . 0.867 H161 H331 ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 418' ' ' PCW . . . . . 1.087 H332 H132 ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 419' ' ' PCW . . . . . 0.945 H431 H441 ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 420' ' ' PCW . . . . . 1.069 H372 H431 ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 421' ' ' PCW . . . . . 1.054 ' H61' ' H4 ' ' D' ' 630' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 422' ' ' 17F . . . . . 1.051 ' H6 ' H141 ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 601' ' ' PCW . . . . . 0.994 H432 H472 ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 602' ' ' PCW . . . . . 1.011 H483 ' H47' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 603' ' ' PCW . . . . . 1.04 H441 H231 ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 604' ' ' PCW . . . . . 1.006 H411 ' H36' ' C' ' 218' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 605' ' ' PCW . . . . . 1.014 ' H2 ' ' H62' ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 606' ' ' PCW . . . . . 1.043 H172 H212 ' D' ' 606' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 607' ' ' PCW . . . . . 0.956 H431 H471 ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 608' ' ' PCW . . . . . 1.056 H452 ' H60' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 609' ' ' PCW . . . . . 1.082 H271 ' H73' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 610' ' ' PCW . . . . . 0.933 H172 ' H61' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 611' ' ' PCW . . . . . 0.999 H212 H271 ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 612' ' ' PCW . . . . . 1.095 ' H2 ' ' H63' ' D' ' 620' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 613' ' ' PCW . . . . . 1.226 ' C17' H212 ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 614' ' ' PCW . . . . . 1.077 H352 H351 ' D' ' 620' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 615' ' ' PCW . . . . . 0.964 H281 H272 ' A' ' 401' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 616' ' ' PCW . . . . . 1.055 H472 H442 ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 617' ' ' PCW . . . . . 0.851 ' H31' ' O2P' ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 618' ' ' PCW . . . . . 1.069 H431 H372 ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 619' ' ' PCW . . . . . 0.877 H322 H121 ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 620' ' ' PCW . . . . . 1.095 ' H63' ' H2 ' ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 621' ' ' PCW . . . . . 0.868 H141 ' O9 ' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 622' ' ' PCW . . . . . 1.051 H141 ' H6 ' ' A' ' 422' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 623' ' ' PCW . . . . . 1.117 H322 ' C36' ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 624' ' ' PCW . . . . . 1.055 H241 ' H20' ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 625' ' ' PCW . . . . . 1.057 ' H41' ' O31' ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 626' ' ' PCW . . . . . 1.024 H242 ' H63' ' D' ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 627' ' ' PCW . . . . . 1.013 H241 H451 ' C' ' 216' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 628' ' ' 17F . . . . . 1.082 ' H73' H271 ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 629' ' ' 17F . . . . . 1.011 ' H47' H483 ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 630' ' ' 17F . . . . . 1.054 ' H4 ' ' H61' ' A' ' 421' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 631' ' ' 17F . . . . . 1.01 H19A H222 ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 632' ' ' 17F . . . . . 0.884 ' H51' H451 ' A' ' 402' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 201' ' ' GSP . . . . . 0.739 H5'2 ' CD1' ' B' ' 32' ' ' TYR . . . . . . . . 0 O4'--C1' 1.438 2.006 1 O4'-C1'-N19 112.885 4.685 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 202' ' ' ' MG' . . . . . 0.608 'MG ' ' O3G' ' B' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 203' ' ' PCW . . . . . 0.849 ' H51' H331 ' C' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 204' ' ' PCW . . . . . 1.043 H151 ' H57' ' A' ' 416' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 205' ' ' PCW . . . . . 1.083 H262 H472 ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 206' ' ' PCW . . . . . 1.102 H422 ' H39' ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 207' ' ' PCW . . . . . 1.141 H132 ' C33' ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 208' ' ' PCW . . . . . 1.048 H472 H432 ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 209' ' ' 17F . . . . . 0.998 ' H57' H19A ' B' ' 209' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 210' ' ' 17F . . . . . 1.043 ' H78' H441 ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 211' ' ' 17F . . . . . 1.031 ' C9 ' H351 ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 201' ' ' GSP . . . . . 0.949 H5'1 ' HA2' ' C' ' 13' ' ' GLY . . . . . . . . 0 O4'--C1' 1.439 2.108 2 O4'-C1'-N19 113.53 5.33 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 202' ' ' ' MG' . . . . . 0.641 'MG ' ' O3G' ' C' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 203' ' ' PCW . . . . . 1.047 H161 H471 ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 204' ' ' PCW . . . . . 1.064 H482 H232 ' C' ' 216' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 205' ' ' PCW . . . . . 1.133 H221 H242 ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 206' ' ' PCW . . . . . 1.171 H182 ' C17' ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 207' ' ' PCW . . . . . 1.022 ' O1P' ' H31' ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 208' ' ' PCW . . . . . 1.171 ' C17' H182 ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 209' ' ' PCW . . . . . 1.133 H242 H221 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 210' ' ' PCW . . . . . 1.057 ' O31' H352 ' C' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 211' ' ' PCW . . . . . 0.972 ' H51' ' C1 ' ' C' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 212' ' ' PCW . . . . . 1.087 H241 ' H20' ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 213' ' ' 17F . . . . . 0.852 ' H32' H441 ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 214' ' ' 17F . . . . . 1.025 ' H72' H262 ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 215' ' ' 17F . . . . . 0.827 ' H8A' H11A ' B' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 216' ' ' PCW . . . . . 1.108 H462 H361 ' C' ' 217' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 217' ' ' PCW . . . . . 1.108 H361 H462 ' C' ' 216' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 218' ' ' 17F . . . . . 1.041 H18A ' O7 ' ' C' ' 218' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 219' ' ' 17F . . . . . 1.115 ' H59' H12A ' C' ' 219' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 64.7 mt . . . . . 0 N--CA 1.463 0.176 0 CA-C-O 121.204 0.526 . . . . 10.0 110.242 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -57.67 -50.14 74.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.256 -0.884 . . . . 10.0 111.56 -179.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 89.0 mt -68.48 -34.16 75.44 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.065 0.394 . . . . 10.0 112.065 -179.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 73.7 mt -68.58 -50.66 50.0 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.132 -0.485 . . . . 10.0 111.034 -179.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.26 -38.28 86.14 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 121.014 0.435 . . . . 10.0 111.314 179.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 206' ' ' ASN . . . . . 0.487 HD22 ' HA ' ' A' ' 206' ' ' ASN . 1.6 m120 -72.61 -26.54 61.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.253 -0.431 . . . . 10.0 111.271 179.639 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 7.8 t90 -70.31 -28.37 65.12 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.649 -0.5 . . . . 10.0 109.649 179.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -63.16 -34.19 77.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.9 -0.591 . . . . 10.0 110.356 179.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.99 -29.24 67.4 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.305 0.574 . . . . 10.0 109.906 178.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 23.4 t -74.44 -40.81 49.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 108.81 -0.811 . . . . 10.0 108.81 178.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 22.4 m -60.62 -45.72 92.97 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.568 -0.742 . . . . 10.0 110.331 179.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 2.8 p -64.66 -45.39 86.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.356 -0.383 . . . . 10.0 110.67 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 88.8 m -59.79 -45.33 92.64 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.327 178.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -64.1 -37.91 89.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.562 179.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 215' ' ' SER . . . . . 0.566 ' O ' ' HG3' ' A' ' 219' ' ' GLU . 61.6 m -62.26 -46.28 89.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.072 -0.513 . . . . 10.0 109.83 179.047 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -65.4 -39.39 92.14 Favored 'General case' 0 CA--C 1.521 -0.137 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.032 179.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 217' ' ' LEU . . . . . 0.434 ' O ' ' HG ' ' A' ' 221' ' ' LEU . 52.7 mt -59.45 -42.56 92.25 Favored 'General case' 0 C--O 1.226 -0.159 0 CA-C-N 115.888 -0.596 . . . . 10.0 109.957 178.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 50.2 mtt180 -67.87 -37.28 81.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.076 -0.511 . . . . 10.0 111.227 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 219' ' ' GLU . . . . . 0.566 ' HG3' ' O ' ' A' ' 215' ' ' SER . 41.7 mt-10 -67.3 -25.83 66.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.126 0.489 . . . . 10.0 109.922 179.137 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 220' ' ' GLN . . . . . 0.431 ' O ' HG23 ' A' ' 224' ' ' VAL . 7.8 tp-100 -88.68 -32.4 18.01 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.71 -0.677 . . . . 10.0 109.362 178.579 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 221' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 217' ' ' LEU . 26.2 mt -57.8 -31.99 67.11 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.971 -0.559 . . . . 10.0 111.15 179.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -58.39 -67.44 2.19 Favored Glycine 0 C--N 1.332 0.318 0 N-CA-C 110.344 -1.103 . . . . 10.0 110.344 178.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -53.51 -36.26 79.43 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.662 2.242 . . . . 10.0 110.663 177.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 224' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 220' ' ' GLN . 24.9 t -58.99 -52.89 55.24 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.209 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.792 178.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . 0.542 ' O ' ' HB2' ' A' ' 229' ' ' TRP . 2.4 p -65.1 -35.16 80.25 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.986 -0.285 . . . . 10.0 110.722 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -65.74 -55.64 16.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.841 0.353 . . . . 10.0 110.475 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -65.05 -41.1 95.47 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.099 -0.5 . . . . 10.0 111.862 -179.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 228' ' ' PHE . . . . . 0.557 ' HE1' H483 ' A' ' 405' ' ' PCW . 14.2 t80 -63.87 -47.15 81.83 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.597 -0.274 . . . . 10.0 110.636 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 229' ' ' TRP . . . . . 0.542 ' HB2' ' O ' ' A' ' 225' ' ' THR . 1.2 m-90 -68.37 -35.75 78.17 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.408 -0.36 . . . . 10.0 110.805 179.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -60.49 -48.44 81.75 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.483 -0.562 . . . . 10.0 109.483 178.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 231' ' ' ASN . . . . . 0.942 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 42.4 m-80 -68.62 -33.23 73.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.831 -0.622 . . . . 10.0 109.934 178.349 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 232' ' ' LEU . . . . . 0.49 ' HB2' ' HA ' ' A' ' 229' ' ' TRP . 9.8 mt -64.02 -36.71 84.88 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 115.928 -0.578 . . . . 10.0 109.446 178.404 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 233' ' ' GLU . . . . . 0.418 ' O ' ' HB2' ' A' ' 237' ' ' GLU . 14.9 mm-40 -65.89 -28.65 69.11 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-N 115.776 -0.647 . . . . 10.0 110.49 178.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 234' ' ' LYS . . . . . 0.942 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 57.3 mttt -74.86 -43.78 52.61 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.798 -0.816 . . . . 10.0 108.798 178.05 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -63.14 -45.48 91.73 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.838 -0.619 . . . . 10.0 109.986 178.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 6.5 p -66.72 -35.43 80.1 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.096 -0.502 . . . . 10.0 109.658 178.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 237' ' ' GLU . . . . . 0.418 ' HB2' ' O ' ' A' ' 233' ' ' GLU . 29.6 tt0 -61.02 -46.11 92.06 Favored 'General case' 0 C--O 1.231 0.081 0 N-CA-C 108.522 -0.918 . . . . 10.0 108.522 177.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -59.51 -46.53 93.79 Favored Glycine 0 N--CA 1.444 -0.827 0 N-CA-C 110.562 -1.015 . . . . 10.0 110.562 177.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 239' ' ' LEU . . . . . 0.419 ' HA ' HD23 ' A' ' 239' ' ' LEU . 17.5 mt -63.38 -33.21 75.03 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-O 120.515 0.198 . . . . 10.0 110.993 178.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 240' ' ' ARG . . . . . 0.403 ' HD2' ' HA ' ' A' ' 237' ' ' GLU . 57.5 mtt180 -67.32 -41.25 85.61 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.327 -0.62 . . . . 10.0 109.327 178.494 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -70.4 -41.63 72.73 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-N 115.711 -0.677 . . . . 10.0 109.648 178.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -67.89 -24.85 65.27 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-N 115.773 -0.649 . . . . 10.0 109.997 179.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 243' ' ' MET . . . . . 0.405 ' HG3' HD12 ' A' ' 247' ' ' LEU . 59.7 ttm -63.42 -30.84 71.9 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.54 -0.541 . . . . 10.0 109.54 178.567 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 3.6 m -76.91 5.64 7.56 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.553 -0.748 . . . . 10.0 110.742 179.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 245' ' ' LYS . . . . . 0.487 ' O ' ' HB2' ' A' ' 249' ' ' GLU . 36.0 mttm -130.54 -50.16 1.07 Allowed 'General case' 0 C--O 1.224 -0.246 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.104 179.022 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 246' ' ' ASP . . . . . 0.443 ' O ' ' HB ' ' A' ' 250' ' ' VAL . 0.3 OUTLIER -59.18 -59.34 5.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.665 179.605 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 247' ' ' LEU . . . . . 0.433 ' O ' HG12 ' A' ' 250' ' ' VAL . 20.5 mt -74.49 -35.63 63.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.462 -179.69 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -63.79 -55.48 22.76 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.621 -0.263 . . . . 10.0 111.457 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 249' ' ' GLU . . . . . 0.487 ' HB2' ' O ' ' A' ' 245' ' ' LYS . 0.7 OUTLIER -65.04 -37.65 88.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.723 -0.217 . . . . 10.0 111.012 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 250' ' ' VAL . . . . . 0.851 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 0.7 OUTLIER -63.51 -32.17 55.7 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.636 0 C-N-CA 120.531 -0.468 . . . . 10.0 111.08 179.798 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . 0.426 ' O ' HG12 ' A' ' 254' ' ' VAL . 95.4 mttt -85.86 -35.83 20.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.158 0.504 . . . . 10.0 111.078 179.463 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -70.58 -35.71 73.19 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.15 0.5 . . . . 10.0 110.246 179.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 31.3 mtpt -91.39 -20.89 21.32 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.016 -0.538 . . . . 10.0 111.802 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 254' ' ' VAL . . . . . 0.851 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 1.9 p -63.36 -26.2 40.25 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 C-N-CA 120.61 -0.436 . . . . 10.0 110.816 179.714 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 255' ' ' GLN . . . . . 0.5 ' HB2' ' CD ' ' A' ' 256' ' ' PRO . 46.1 mt-30 -63.87 -62.89 4.55 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.29 -0.413 . . . . 10.0 110.332 179.048 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 256' ' ' PRO . . . . . 0.5 ' CD ' ' HB2' ' A' ' 255' ' ' GLN . 18.4 Cg_endo -62.67 -30.25 78.5 Favored 'Trans proline' 0 C--N 1.359 1.117 0 C-N-CA 121.833 1.689 . . . . 10.0 111.322 178.062 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 5.5 m-30 -65.5 -56.57 11.67 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.102 0.477 . . . . 10.0 109.901 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 258' ' ' LEU . . . . . 0.516 ' HG ' HG22 ' A' ' 254' ' ' VAL . 40.1 mt -64.57 -38.58 91.51 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.746 -0.661 . . . . 10.0 111.019 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -61.42 -40.61 95.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.972 0.415 . . . . 10.0 110.407 179.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -67.13 -48.42 68.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.898 -0.592 . . . . 10.0 109.955 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -64.84 -45.98 83.85 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.952 -0.567 . . . . 10.0 111.17 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -59.26 -46.06 89.52 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.415 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 263' ' ' LYS . . . . . 0.599 ' O ' ' HG3' ' A' ' 267' ' ' GLU . 0.3 OUTLIER -61.66 -50.62 71.78 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.977 -0.556 . . . . 10.0 110.224 179.736 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 264' ' ' LYS . . . . . 0.842 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 67.0 mttt -62.21 -40.56 96.53 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.306 -0.406 . . . . 10.0 111.252 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 5.5 m95 -65.67 -35.75 81.67 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.906 -0.405 . . . . 10.0 109.906 178.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -65.06 -42.51 94.12 Favored 'General case' 0 CA--C 1.519 -0.223 0 N-CA-C 108.194 -1.039 . . . . 10.0 108.194 178.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 267' ' ' GLU . . . . . 0.599 ' HG3' ' O ' ' A' ' 263' ' ' LYS . 49.9 mt-10 -62.21 -43.29 99.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.618 -0.719 . . . . 10.0 109.263 178.059 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 268' ' ' GLU . . . . . 0.5 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 18.5 mt-10 -61.64 -42.19 98.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.529 -0.759 . . . . 10.0 110.065 179.333 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 90.2 mmm -65.67 -41.56 92.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.619 -0.719 . . . . 10.0 109.921 178.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -58.95 -48.52 81.22 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.34 0.591 . . . . 10.0 109.564 178.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 271' ' ' LEU . . . . . 0.428 ' O ' ' HB2' ' A' ' 275' ' ' LYS . 73.6 mt -61.86 -44.22 97.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.251 -0.886 . . . . 10.0 110.742 179.623 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -65.38 -38.22 89.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.178 -0.465 . . . . 10.0 111.019 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 43.8 mtt180 -69.85 -44.53 69.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.438 -0.346 . . . . 10.0 110.467 179.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -68.78 -15.87 63.63 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.686 179.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 275' ' ' LYS . . . . . 0.728 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 12.4 mptt -92.82 -46.64 7.44 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.014 -0.539 . . . . 10.0 110.313 179.193 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 3.0 p -54.08 -31.42 21.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 113.164 0.802 . . . . 10.0 113.164 -178.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -64.47 -64.06 3.14 Favored Pre-proline 0 CA--C 1.535 0.37 0 N-CA-C 111.732 0.271 . . . . 10.0 111.732 179.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -63.86 -36.55 49.86 Favored 'Trans proline' 0 C--N 1.355 0.884 0 C-N-CA 121.762 1.641 . . . . 10.0 111.98 178.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 279' ' ' LEU . . . . . 0.728 ' HG ' ' O ' ' A' ' 275' ' ' LYS . 22.1 mt -61.33 -40.66 95.04 Favored 'General case' 0 CA--C 1.521 -0.169 0 C-N-CA 121.187 -0.205 . . . . 10.0 110.672 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 30.2 mtt180 -68.34 -30.95 70.03 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.466 -0.333 . . . . 10.0 110.288 179.092 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -66.2 -45.94 79.03 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.06 -0.719 . . . . 10.0 109.06 178.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -62.87 -44.47 96.03 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.402 -0.817 . . . . 10.0 109.206 178.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 10.2 mt -62.68 -44.93 95.0 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.796 179.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -63.35 -51.69 64.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.535 -0.302 . . . . 10.0 111.172 -179.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -65.35 -40.4 93.56 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 121.012 -0.275 . . . . 10.0 111.158 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -63.16 -47.83 84.93 Favored Glycine 0 N--CA 1.446 -0.663 0 N-CA-C 110.483 -1.047 . . . . 10.0 110.483 178.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -64.46 -35.14 79.96 Favored 'General case' 0 C--O 1.22 -0.45 0 N-CA-C 110.056 -0.35 . . . . 10.0 110.056 179.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 57.6 mtt180 -57.43 -48.63 78.63 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 116.387 -0.37 . . . . 10.0 110.119 179.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -65.79 -46.59 78.14 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.249 179.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 69.4 mttt -60.39 -40.43 90.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.27 -0.423 . . . . 10.0 111.12 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 28.3 mt -68.37 -42.65 78.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.223 178.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -64.89 -40.56 95.28 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.783 -0.451 . . . . 10.0 109.783 178.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -62.02 -37.2 84.01 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.542 -0.91 . . . . 10.0 108.542 178.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 294' ' ' LEU . . . . . 0.411 ' O ' ' HG ' ' A' ' 298' ' ' LEU . 3.5 mt -69.11 -49.41 57.3 Favored 'General case' 0 C--O 1.221 -0.418 0 CA-C-N 115.088 -0.96 . . . . 10.0 109.724 178.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -59.19 -37.45 77.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.839 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -67.32 -9.34 40.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.003 -0.544 . . . . 10.0 111.166 179.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . 0.447 ' HA ' ' HD3' ' A' ' 297' ' ' LYS . 29.4 mmtp -113.47 -39.93 3.97 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.426 178.669 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 298' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 294' ' ' LEU . 96.5 mt -58.25 -30.26 66.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.225 -0.443 . . . . 10.0 111.224 179.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 299' ' ' SER . . . . . 0.49 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 2.7 m -75.42 -63.87 0.64 Allowed Pre-proline 0 CA--C 1.537 0.453 0 CA-C-N 116.197 -0.456 . . . . 10.0 111.906 179.338 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 300' ' ' PRO . . . . . 0.49 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 28.6 Cg_endo -63.3 -46.05 10.69 Favored 'Trans proline' 0 C--N 1.36 1.133 0 C-N-CA 121.791 1.66 . . . . 10.0 112.581 -179.705 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 301' ' ' LEU . . . . . 0.714 HD22 ' HG2' ' D' ' 473' ' ' LYS . 73.1 mt -69.04 -27.66 65.86 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 109.965 -0.383 . . . . 10.0 109.965 179.583 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -69.32 -49.12 41.04 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 109.573 -1.411 . . . . 10.0 109.573 178.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -60.59 -44.3 96.39 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 109.116 -0.698 . . . . 10.0 109.116 178.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -60.6 -41.93 95.76 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.438 -0.801 . . . . 10.0 109.868 178.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 10.6 tpt -63.16 -44.27 95.96 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 116.172 -0.467 . . . . 10.0 109.952 179.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 58.0 mtt180 -63.99 -45.21 90.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.28 179.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 307' ' ' ASP . . . . . 0.894 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 19.6 t70 -64.37 -39.53 94.05 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.993 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 308' ' ' ARG . . . . . 0.491 ' HG3' HD21 ' D' ' 469' ' ' LEU . 24.6 mmt180 -72.32 -34.81 68.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 10.0 109.802 178.562 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 309' ' ' ALA . . . . . 0.517 ' HA ' ' HB2' ' A' ' 312' ' ' HIS . . . -64.28 -32.49 74.1 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 109.251 -0.648 . . . . 10.0 109.251 178.548 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 310' ' ' ARG . . . . . 0.894 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 79.3 mtt180 -58.88 -52.53 65.33 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 109.096 -0.705 . . . . 10.0 109.096 178.472 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -67.81 -36.93 81.29 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.125 179.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 312' ' ' HIS . . . . . 0.517 ' HB2' ' HA ' ' A' ' 309' ' ' ALA . 0.1 OUTLIER -53.53 -53.44 51.5 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.761 -0.654 . . . . 10.0 110.074 178.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 32.7 t -78.51 -32.78 16.59 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 CA-C-N 115.471 -0.786 . . . . 10.0 111.597 -179.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -57.62 -48.07 80.44 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-O 120.752 0.311 . . . . 10.0 111.207 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -63.62 -41.12 98.31 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.203 179.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 21.1 mt -66.12 -48.96 69.13 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.406 179.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 19.9 ttm105 -59.3 -47.92 83.59 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.827 -179.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 18.2 m -67.13 -20.45 65.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.989 -0.55 . . . . 10.0 111.069 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -89.81 -33.21 16.6 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.961 0.41 . . . . 10.0 110.204 178.479 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 73.9 mt -69.82 -33.72 72.71 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.982 -0.554 . . . . 10.0 111.462 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -53.63 -58.52 12.68 Favored Pre-proline 0 CA--C 1.538 0.507 0 N-CA-C 112.578 0.584 . . . . 10.0 112.578 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -72.28 -33.25 9.37 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 121.526 1.484 . . . . 10.0 111.662 179.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 8.2 m-30 -63.33 -42.56 98.97 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 116.484 -0.326 . . . . 10.0 110.967 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 324' ' ' SER . . . . . 0.458 ' O ' ' HG3' ' A' ' 328' ' ' ARG . 29.2 p -69.24 -31.45 70.01 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.999 -0.371 . . . . 10.0 109.999 179.339 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -66.85 -45.65 77.5 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.069 -0.715 . . . . 10.0 109.069 178.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . 0.425 ' O ' ' HG3' ' A' ' 330' ' ' ARG . 57.8 mt-10 -65.6 -34.82 79.11 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.611 -0.885 . . . . 10.0 108.611 177.517 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . 0.445 ' O ' ' HG ' ' A' ' 331' ' ' LEU . 0.6 OUTLIER -61.64 -38.07 86.35 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.714 -0.675 . . . . 10.0 109.45 178.498 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 328' ' ' ARG . . . . . 0.458 ' HG3' ' O ' ' A' ' 324' ' ' SER . 49.4 mtt180 -62.39 -41.93 99.03 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 109.351 -0.611 . . . . 10.0 109.351 178.271 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -66.32 -39.14 89.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.783 -0.644 . . . . 10.0 109.309 178.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 330' ' ' ARG . . . . . 0.909 HH21 ' HB3' ' D' ' 447' ' ' GLU . 18.1 mtt180 -63.76 -47.48 80.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.558 -0.746 . . . . 10.0 109.59 178.706 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 331' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 327' ' ' LEU . 93.0 mt -62.34 -42.44 99.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.751 -0.658 . . . . 10.0 110.154 179.266 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -61.2 -51.71 67.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.505 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -60.29 -45.93 91.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.645 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 43.5 mtt-85 -61.45 -47.46 85.62 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.674 179.241 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 55.1 mt -64.27 -41.46 96.91 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.101 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -63.27 -45.89 89.4 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.321 -0.252 . . . . 10.0 110.321 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -64.07 -39.11 93.36 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.404 -0.591 . . . . 10.0 109.404 178.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 1.9 mt -67.1 -31.28 71.64 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.808 179.275 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -79.73 -38.93 32.26 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.754 0.311 . . . . 10.0 110.316 178.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -67.51 -54.44 20.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.055 0.455 . . . . 10.0 109.82 179.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -68.93 -39.26 79.7 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.021 -0.536 . . . . 10.0 109.971 179.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -60.86 -41.19 99.14 Favored Glycine 0 N--CA 1.449 -0.49 0 CA-C-N 115.83 -0.623 . . . . 10.0 111.625 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -60.76 -39.42 96.7 Favored Glycine 0 N--CA 1.451 -0.34 0 N-CA-C 110.876 -0.889 . . . . 10.0 110.876 178.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -69.81 -41.27 75.24 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.734 -0.469 . . . . 10.0 109.734 178.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 39.8 mtm180 -64.44 -39.91 94.74 Favored 'General case' 0 C--O 1.227 -0.126 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.173 178.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 30.6 mt -64.12 -46.3 84.76 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 116.143 -0.48 . . . . 10.0 109.792 178.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.93 -41.02 90.85 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.352 -0.61 . . . . 10.0 109.352 179.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 348' ' ' GLU . . . . . 0.437 ' OE1' ' HB2' ' D' ' 429' ' ' ASN . 34.4 mt-10 -67.33 -45.09 77.47 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.466 -0.788 . . . . 10.0 109.892 178.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 349' ' ' TYR . . . . . 0.417 ' HD1' ' HA ' ' A' ' 349' ' ' TYR . 1.3 m-30 -59.86 -42.08 92.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.271 -0.422 . . . . 10.0 111.351 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 54.1 m-70 -63.56 -45.33 90.99 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.871 -0.418 . . . . 10.0 109.871 178.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -63.75 -48.83 75.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.21 179.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 352' ' ' LYS . . . . . 0.409 ' HE2' ' HB3' ' A' ' 348' ' ' GLU . 12.6 mtmm -59.94 -39.06 84.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.369 179.163 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . 0.475 ' O ' ' HG ' ' A' ' 357' ' ' LEU . . . -60.95 -43.71 98.3 Favored 'General case' 0 CA--C 1.519 -0.213 0 N-CA-C 109.579 -0.526 . . . . 10.0 109.579 178.679 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 39.2 m -64.99 -38.36 90.72 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.303 -0.629 . . . . 10.0 109.303 178.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -63.55 -43.97 95.53 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.1 -0.5 . . . . 10.0 109.746 178.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -64.72 -37.0 86.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.788 -0.642 . . . . 10.0 109.389 178.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 357' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 353' ' ' ALA . 84.4 mt -68.36 -33.56 74.49 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.437 179.141 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 49.7 m -61.21 -42.05 97.93 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.26 0.552 . . . . 10.0 109.972 178.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -79.85 -30.52 40.37 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.043 178.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 65.3 tp -65.07 -29.38 70.26 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 109.115 -0.698 . . . . 10.0 109.115 178.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 361' ' ' SER . . . . . 0.467 ' O ' ' HG3' ' A' ' 365' ' ' LYS . 34.8 m -62.6 -33.34 74.79 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.93 -0.577 . . . . 10.0 109.817 178.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -68.98 -22.9 64.07 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.006 178.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 363' ' ' LYS . . . . . 0.772 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 74.5 mttt -94.51 -23.79 17.55 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.752 -0.658 . . . . 10.0 109.985 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -80.63 -36.43 32.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.742 -0.663 . . . . 10.0 112.166 -179.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 365' ' ' LYS . . . . . 0.613 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 1.6 mttt -109.88 -69.67 0.03 OUTLIER Pre-proline 0 CA--C 1.536 0.429 0 N-CA-C 112.984 0.735 . . . . 10.0 112.984 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 366' ' ' PRO . . . . . 0.613 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 52.7 Cg_exo -55.12 -63.98 0.17 Allowed 'Trans proline' 0 C--N 1.356 0.924 0 C-N-CA 122.595 2.196 . . . . 10.0 113.482 -179.045 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 367' ' ' ALA . . . . . 0.772 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -56.12 -47.13 78.7 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.995 0.368 . . . . 10.0 111.995 -179.308 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 1.5 mt -62.86 -42.53 99.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.559 -0.291 . . . . 10.0 111.478 -179.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -63.97 -45.79 87.53 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.991 -0.374 . . . . 10.0 109.991 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -60.66 -42.46 97.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.064 -0.516 . . . . 10.0 109.684 179.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 45.6 mt -62.61 -46.09 89.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.706 -0.679 . . . . 10.0 110.218 178.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -61.12 -46.83 88.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 10.0 110.65 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -61.88 -30.4 70.84 Favored 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 115.92 -0.582 . . . . 10.0 111.11 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -84.56 -31.7 23.88 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.756 -0.735 . . . . 10.0 111.661 179.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 28.3 mt -71.14 -33.7 70.32 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 111.796 0.295 . . . . 10.0 111.796 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 48.8 mt -51.83 -58.32 11.58 Favored Pre-proline 0 CA--C 1.534 0.344 0 N-CA-C 112.55 0.574 . . . . 10.0 112.55 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_endo -64.26 -31.8 62.94 Favored 'Trans proline' 0 C--N 1.354 0.843 0 C-N-CA 121.888 1.725 . . . . 10.0 111.317 178.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 47.1 t -64.57 -43.89 96.79 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.097 0 N-CA-C 109.409 -0.589 . . . . 10.0 109.409 178.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 379' ' ' LEU . . . . . 0.459 ' O ' ' HG3' ' A' ' 383' ' ' LYS . 96.6 mt -68.61 -30.65 69.43 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.452 -0.573 . . . . 10.0 109.452 178.514 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 380' ' ' GLU . . . . . 0.408 ' O ' HG23 ' A' ' 384' ' ' VAL . 34.7 tt0 -64.77 -50.59 66.22 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.21 -0.663 . . . . 10.0 109.21 179.003 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 1.4 p -65.18 -30.0 70.87 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 109.354 -0.61 . . . . 10.0 109.354 178.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 382' ' ' PHE . . . . . 0.489 ' O ' ' HB2' ' A' ' 386' ' ' PHE . 0.2 OUTLIER -64.77 -44.13 91.04 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 115.687 -0.688 . . . . 10.0 109.324 178.262 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 383' ' ' LYS . . . . . 0.459 ' HG3' ' O ' ' A' ' 379' ' ' LEU . 83.0 mttt -62.76 -45.14 94.08 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.362 -0.607 . . . . 10.0 109.362 178.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 384' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 380' ' ' GLU . 87.4 t -57.9 -49.19 81.95 Favored 'Isoleucine or valine' 0 C--O 1.232 0.152 0 CA-C-N 115.509 -0.769 . . . . 10.0 111.045 179.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 5.2 p -70.75 -38.0 73.47 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 111.964 0.357 . . . . 10.0 111.964 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 386' ' ' PHE . . . . . 0.489 ' HB2' ' O ' ' A' ' 382' ' ' PHE . 0.3 OUTLIER -62.92 -49.6 74.16 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.828 0.347 . . . . 10.0 110.566 179.591 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 387' ' ' LEU . . . . . 0.473 ' O ' ' HG3' ' A' ' 391' ' ' GLU . 81.3 mt -60.29 -42.15 94.84 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.012 -0.54 . . . . 10.0 111.796 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 388' ' ' SER . . . . . 0.461 ' HB2' ' HE2' ' D' ' 594' ' ' LYS . 3.5 p -70.49 -36.48 73.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.719 0.295 . . . . 10.0 110.784 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -66.49 -38.07 86.47 Favored 'General case' 0 CA--C 1.522 -0.13 0 N-CA-C 109.905 -0.406 . . . . 10.0 109.905 178.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 390' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 386' ' ' PHE . 86.6 mt -60.86 -38.73 86.55 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.766 -0.652 . . . . 10.0 109.823 178.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 391' ' ' GLU . . . . . 0.473 ' HG3' ' O ' ' A' ' 387' ' ' LEU . 53.3 mt-10 -68.67 -37.88 79.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.839 -0.619 . . . . 10.0 109.506 178.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -60.13 -46.13 90.69 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.329 179.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -61.7 -48.33 81.25 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.153 178.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 27.4 m -56.88 -45.4 82.58 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.959 -0.564 . . . . 10.0 112.074 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -63.28 -30.47 71.61 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.762 0.653 . . . . 10.0 112.762 -178.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 396' ' ' LYS . . . . . 0.563 ' HZ3' ' HA ' ' D' ' 587' ' ' ALA . 1.6 mptt -106.28 11.4 31.13 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 113.096 0.776 . . . . 10.0 113.096 -178.736 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 19.8 mt -127.75 -20.03 3.99 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.654 0.264 . . . . 10.0 111.414 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 . . . . . 0 C--N 1.326 -0.443 0 CA-C-N 116.438 -0.346 . . . . 10.0 110.875 -179.406 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 2.5 mm? . . . . . 0 CA--C 1.52 -0.187 0 CA-C-O 121.295 0.569 . . . . 10.0 110.434 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -85.34 6.37 26.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.765 -0.652 . . . . 10.0 111.154 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 43.2 mt -61.36 -37.63 84.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.715 -0.675 . . . . 10.0 110.988 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 96.7 mt -64.06 -43.37 95.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.788 -0.642 . . . . 10.0 111.068 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.94 -37.78 82.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.162 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 404' ' ' ASN . . . . . 0.445 ' O ' HG23 ' D' ' 408' ' ' VAL . 27.1 t-20 -64.46 -48.01 76.89 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.123 -0.489 . . . . 10.0 110.559 179.387 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 11.8 m95 -63.02 -26.46 68.86 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.91 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -63.7 -48.48 76.94 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 109.434 -0.58 . . . . 10.0 109.434 178.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 7.1 m -60.82 -34.97 75.34 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.067 178.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 408' ' ' VAL . . . . . 0.445 HG23 ' O ' ' D' ' 404' ' ' ASN . 53.5 t -68.14 -39.88 82.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 N-CA-C 109.414 -0.587 . . . . 10.0 109.414 179.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 28.3 m -66.13 -40.84 90.97 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.729 -0.668 . . . . 10.0 109.727 179.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 14.6 m -61.07 -47.19 87.49 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.485 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.39 -33.46 75.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.339 -0.391 . . . . 10.0 110.963 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -65.24 -39.03 92.15 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 108.848 -0.797 . . . . 10.0 108.848 177.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 413' ' ' SER . . . . . 0.493 ' O ' ' HG3' ' D' ' 417' ' ' GLU . 33.1 m -66.95 -44.12 81.41 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.411 -0.813 . . . . 10.0 108.885 178.219 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 53.0 mmtt -62.19 -31.34 71.85 Favored 'General case' 0 C--O 1.226 -0.148 0 CA-C-N 115.97 -0.559 . . . . 10.0 109.994 178.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 14.8 tp -64.78 -45.32 86.8 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.118 -0.697 . . . . 10.0 109.118 178.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 62.0 mtt85 -68.76 -34.44 75.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.737 -0.665 . . . . 10.0 110.727 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 417' ' ' GLU . . . . . 0.493 ' HG3' ' O ' ' D' ' 413' ' ' SER . 35.1 mt-10 -65.57 -21.67 66.62 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 116.0 -0.546 . . . . 10.0 109.918 178.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -89.17 -51.18 5.72 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 108.708 -0.849 . . . . 10.0 108.708 177.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 67.1 mt -47.58 -50.53 23.76 Favored 'General case' 0 C--O 1.226 -0.143 0 CA-C-N 115.09 -0.959 . . . . 10.0 112.452 -179.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -47.5 -74.49 0.24 Allowed Glycine 0 CA--C 1.525 0.685 0 O-C-N 123.368 0.418 . . . . 10.0 113.669 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -60.38 -39.71 64.44 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.802 2.335 . . . . 10.0 112.767 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 37.6 t -60.75 -48.8 87.2 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.229 0 N-CA-C 112.126 0.417 . . . . 10.0 112.126 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 32.6 p -64.43 -33.75 76.59 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-O 120.775 0.321 . . . . 10.0 110.845 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -62.95 -51.17 67.91 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.623 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -73.67 -25.17 60.13 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.578 -0.449 . . . . 10.0 110.084 178.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 426' ' ' PHE . . . . . 0.519 ' O ' ' HG ' ' D' ' 430' ' ' LEU . 30.1 t80 -67.27 -34.89 78.38 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.345 -0.983 . . . . 10.0 108.345 177.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 427' ' ' TRP . . . . . 0.438 ' O ' ' HG3' ' D' ' 431' ' ' GLU . 7.5 m95 -61.83 -48.27 81.34 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.71 -0.848 . . . . 10.0 108.71 178.121 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -62.41 -35.85 80.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.547 -0.751 . . . . 10.0 110.129 178.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 429' ' ' ASN . . . . . 0.437 ' HB2' ' OE1' ' A' ' 348' ' ' GLU . 4.9 t30 -63.79 -45.52 89.31 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.733 -0.667 . . . . 10.0 109.22 178.016 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 430' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' D' ' 426' ' ' PHE . 88.7 mt -63.31 -41.09 98.9 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.664 -0.698 . . . . 10.0 109.61 178.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 431' ' ' GLU . . . . . 0.438 ' HG3' ' O ' ' D' ' 427' ' ' TRP . 11.7 mt-10 -63.77 -39.56 94.55 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.2 178.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -62.11 -40.61 96.48 Favored 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 109.181 -0.674 . . . . 10.0 109.181 178.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -66.73 -50.01 64.17 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.332 -0.849 . . . . 10.0 110.705 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 2.9 p -61.53 -47.99 83.04 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.967 -0.293 . . . . 10.0 111.32 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -64.73 -45.33 86.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.682 0.277 . . . . 10.0 111.223 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -63.46 -46.22 93.05 Favored Glycine 0 N--CA 1.448 -0.553 0 N-CA-C 111.385 -0.686 . . . . 10.0 111.385 179.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 437' ' ' LEU . . . . . 0.624 ' O ' ' HB2' ' D' ' 441' ' ' MET . 85.6 mt -66.3 -29.81 70.09 Favored 'General case' 0 C--O 1.218 -0.557 0 N-CA-C 110.618 -0.141 . . . . 10.0 110.618 179.204 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 31.5 mtt180 -64.75 -30.91 71.93 Favored 'General case' 0 CA--C 1.522 -0.129 0 O-C-N 123.012 0.195 . . . . 10.0 110.621 179.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -62.92 -46.74 86.39 Favored 'General case' 0 N--CA 1.457 -0.114 0 CA-C-N 116.143 -0.48 . . . . 10.0 110.246 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -82.72 -26.21 32.18 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.903 178.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 441' ' ' MET . . . . . 0.624 ' HB2' ' O ' ' D' ' 437' ' ' LEU . 0.0 OUTLIER -63.13 -48.03 80.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.421 -0.354 . . . . 10.0 111.019 -179.626 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 2.9 p -61.84 -44.22 97.27 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 109.54 -0.541 . . . . 10.0 109.54 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 443' ' ' LYS . . . . . 0.403 ' O ' ' HB2' ' D' ' 447' ' ' GLU . 28.7 mtpp -62.56 -42.01 99.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.584 -0.735 . . . . 10.0 110.02 178.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 444' ' ' ASP . . . . . 0.64 ' O ' ' HB ' ' D' ' 448' ' ' VAL . 4.1 t0 -63.55 -49.17 74.5 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.196 -0.456 . . . . 10.0 110.95 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 445' ' ' LEU . . . . . 0.501 ' O ' HG12 ' D' ' 448' ' ' VAL . 54.3 mt -65.53 -51.64 58.43 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.26 0.467 . . . . 10.0 112.26 -179.509 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -63.42 -44.51 94.39 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 111.945 0.35 . . . . 10.0 111.945 -179.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 447' ' ' GLU . . . . . 0.909 ' HB3' HH21 ' A' ' 330' ' ' ARG . 11.6 tt0 -71.57 -28.9 64.15 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.93 -0.308 . . . . 10.0 110.975 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 448' ' ' VAL . . . . . 0.64 ' HB ' ' O ' ' D' ' 444' ' ' ASP . 0.3 OUTLIER -69.23 -30.14 45.05 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 CA-C-O 121.074 0.464 . . . . 10.0 110.215 179.418 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -65.83 -35.47 80.78 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.236 -1.024 . . . . 10.0 108.236 177.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -92.02 19.23 6.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.074 -0.966 . . . . 10.0 110.006 179.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 451' ' ' LYS . . . . . 0.752 ' HB3' H283 ' D' ' 601' ' ' PCW . 51.8 mttm -126.79 -51.41 1.46 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.612 -0.722 . . . . 10.0 110.12 179.583 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 452' ' ' VAL . . . . . 0.503 HG23 HG22 ' D' ' 448' ' ' VAL . 62.9 t -69.37 -48.47 67.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 10.0 111.037 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -51.29 -58.88 9.08 Favored Pre-proline 0 CA--C 1.537 0.444 0 N-CA-C 111.914 0.338 . . . . 10.0 111.914 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -63.4 -26.8 70.84 Favored 'Trans proline' 0 C--N 1.357 1.007 0 C-N-CA 121.935 1.757 . . . . 10.0 112.027 179.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 455' ' ' TYR . . . . . 0.587 ' HB2' ' O ' ' D' ' 451' ' ' LYS . 0.0 OUTLIER -75.94 -31.37 59.06 Favored 'General case' 0 CA--C 1.519 -0.236 0 N-CA-C 109.773 -0.454 . . . . 10.0 109.773 179.093 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 456' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' D' ' 452' ' ' VAL . 84.6 mt -63.57 -38.19 90.2 Favored 'General case' 0 CA--C 1.514 -0.412 0 N-CA-C 108.27 -1.011 . . . . 10.0 108.27 177.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -69.3 -43.49 73.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.182 -0.917 . . . . 10.0 109.133 178.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -60.44 -41.68 94.55 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 115.641 -0.709 . . . . 10.0 109.885 178.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -71.33 -40.73 70.57 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.444 -0.798 . . . . 10.0 110.053 178.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -58.06 -40.05 80.0 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.423 179.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 461' ' ' LYS . . . . . 0.457 ' O ' ' HG3' ' D' ' 465' ' ' GLU . 52.2 mttt -59.64 -50.18 74.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.037 -0.528 . . . . 10.0 109.896 178.765 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 26.3 mtmm -67.24 -36.01 80.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.82 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 8.5 m0 -65.0 -40.55 95.12 Favored 'General case' 0 CA--C 1.515 -0.394 0 N-CA-C 109.349 -0.612 . . . . 10.0 109.349 178.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -68.98 -40.32 78.87 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.72 -0.673 . . . . 10.0 109.25 178.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 465' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' D' ' 461' ' ' LYS . 42.7 mt-10 -57.44 -52.01 67.1 Favored 'General case' 0 C--O 1.222 -0.382 0 N-CA-C 108.577 -0.898 . . . . 10.0 108.577 177.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 466' ' ' GLU . . . . . 0.418 ' HG3' ' CZ ' ' D' ' 470' ' ' TYR . 1.7 tp10 -60.95 -45.36 95.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.703 -0.68 . . . . 10.0 110.747 179.602 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 40.3 ttm -58.29 -49.7 76.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.429 -0.35 . . . . 10.0 110.526 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -66.25 -37.95 86.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.475 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 469' ' ' LEU . . . . . 0.554 HD22 ' HE3' ' D' ' 473' ' ' LYS . 54.7 mt -62.9 -43.89 97.58 Favored 'General case' 0 C--O 1.222 -0.343 0 O-C-N 123.574 0.546 . . . . 10.0 110.282 178.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 470' ' ' TYR . . . . . 0.418 ' CZ ' ' HG3' ' D' ' 466' ' ' GLU . 19.2 m-30 -61.33 -32.06 71.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.073 0.463 . . . . 10.0 110.441 179.222 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 471' ' ' ARG . . . . . 0.879 ' HA ' ' HG3' ' D' ' 475' ' ' GLU . 91.5 mtt180 -72.82 -23.78 60.82 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.434 179.212 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -104.67 -0.23 27.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.128 0.49 . . . . 10.0 111.397 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 473' ' ' LYS . . . . . 0.714 ' HG2' HD22 ' A' ' 301' ' ' LEU . 97.8 mttt -125.62 -73.53 0.63 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.906 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 58.1 t -53.69 -45.31 60.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 N-CA-C 112.367 0.506 . . . . 10.0 112.367 -178.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 475' ' ' GLU . . . . . 0.879 ' HG3' ' HA ' ' D' ' 471' ' ' ARG . 3.3 mt-10 -58.54 -61.09 8.33 Favored Pre-proline 0 CA--C 1.535 0.397 0 N-CA-C 112.575 0.583 . . . . 10.0 112.575 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -61.69 -33.96 84.83 Favored 'Trans proline' 0 C--N 1.353 0.806 0 C-N-CA 121.708 1.605 . . . . 10.0 111.154 178.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 20.2 mt -63.46 -36.85 85.11 Favored 'General case' 0 C--O 1.221 -0.403 0 N-CA-C 109.411 -0.588 . . . . 10.0 109.411 178.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 478' ' ' ARG . . . . . 0.449 ' O ' ' HB2' ' D' ' 482' ' ' GLN . 29.9 mtt180 -63.85 -28.72 70.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.438 -0.346 . . . . 10.0 110.377 178.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -74.06 -46.2 44.65 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 108.627 -0.879 . . . . 10.0 108.627 178.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.42 -40.96 96.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.85 -0.614 . . . . 10.0 109.426 178.302 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 53.9 mt -66.74 -29.61 69.62 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 115.693 -0.685 . . . . 10.0 110.115 178.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 482' ' ' GLN . . . . . 0.449 ' HB2' ' O ' ' D' ' 478' ' ' ARG . 15.9 tt0 -70.72 -43.27 69.27 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 108.675 -0.861 . . . . 10.0 108.675 178.468 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -64.91 -43.66 92.09 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.566 -0.743 . . . . 10.0 109.122 178.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -63.83 -38.84 96.73 Favored Glycine 0 N--CA 1.446 -0.657 0 N-CA-C 110.819 -0.912 . . . . 10.0 110.819 178.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -65.57 -44.89 85.33 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 109.438 -0.578 . . . . 10.0 109.438 178.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 80.1 mtt180 -57.75 -44.93 86.45 Favored 'General case' 0 CA--C 1.52 -0.205 0 N-CA-C 108.924 -0.769 . . . . 10.0 108.924 178.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 487' ' ' GLN . . . . . 0.423 ' O ' ' HG3' ' D' ' 491' ' ' GLU . 8.0 mm100 -62.98 -47.29 83.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.207 -0.906 . . . . 10.0 111.196 179.012 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 29.1 tttt -62.49 -40.0 95.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.006 0.431 . . . . 10.0 110.023 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 84.5 mt -64.23 -37.11 86.3 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 109.325 -0.62 . . . . 10.0 109.325 178.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -63.96 -45.66 88.16 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 108.55 -0.907 . . . . 10.0 108.55 178.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 491' ' ' GLU . . . . . 0.423 ' HG3' ' O ' ' D' ' 487' ' ' GLN . 51.3 mt-10 -58.98 -41.66 88.13 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 115.779 -0.646 . . . . 10.0 109.289 178.411 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 41.8 mt -67.59 -44.38 78.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.369 -0.832 . . . . 10.0 110.777 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -61.08 -33.84 73.97 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 121.232 0.539 . . . . 10.0 110.273 179.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -73.55 0.05 13.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.505 -0.771 . . . . 10.0 111.387 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 495' ' ' LYS . . . . . 0.574 ' O ' ' HB2' ' D' ' 499' ' ' LEU . 30.7 mttp -121.92 -38.64 2.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.874 -0.603 . . . . 10.0 109.392 178.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 496' ' ' LEU . . . . . 0.455 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 79.8 mt -60.82 -32.95 72.3 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.975 -0.557 . . . . 10.0 111.78 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 497' ' ' SER . . . . . 0.577 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 6.0 m -76.69 -65.37 0.41 Allowed Pre-proline 0 CA--C 1.54 0.579 0 N-CA-C 112.036 0.384 . . . . 10.0 112.036 179.598 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 498' ' ' PRO . . . . . 0.577 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 33.0 Cg_endo -65.41 -55.2 0.48 Allowed 'Trans proline' 0 C--N 1.354 0.828 0 C-N-CA 121.928 1.752 . . . . 10.0 113.068 -179.344 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 499' ' ' LEU . . . . . 0.574 ' HB2' ' O ' ' D' ' 495' ' ' LYS . 45.2 mt -66.11 -28.4 68.78 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 110.44 -0.208 . . . . 10.0 110.44 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 500' ' ' GLY . . . . . 0.455 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -66.46 -47.54 69.32 Favored Glycine 0 N--CA 1.447 -0.58 0 N-CA-C 109.682 -1.367 . . . . 10.0 109.682 178.084 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -63.29 -39.28 94.15 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 108.842 -0.799 . . . . 10.0 108.842 177.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 502' ' ' GLU . . . . . 0.489 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 34.9 mt-10 -59.79 -48.47 81.55 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 115.63 -0.713 . . . . 10.0 109.353 178.408 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 81.4 mmm -58.95 -38.06 78.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.028 0.442 . . . . 10.0 110.573 179.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 504' ' ' ARG . . . . . 0.417 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 61.8 mtt180 -67.51 -44.68 77.84 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 109.47 -0.567 . . . . 10.0 109.47 178.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -65.86 -40.28 91.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.763 179.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 506' ' ' ARG . . . . . 0.5 ' HD3' ' OE1' ' A' ' 268' ' ' GLU . 46.0 mtt180 -62.8 -45.43 92.65 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 108.39 -0.967 . . . . 10.0 108.39 178.23 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -60.27 -38.77 84.58 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.821 -0.627 . . . . 10.0 109.506 178.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 508' ' ' ARG . . . . . 0.417 ' HG3' ' O ' ' D' ' 504' ' ' ARG . 49.3 mtt180 -61.64 -48.69 79.72 Favored 'General case' 0 C--O 1.218 -0.577 0 N-CA-C 109.21 -0.663 . . . . 10.0 109.21 178.1 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 509' ' ' ALA . . . . . 0.842 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -62.48 -37.44 85.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.3 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 510' ' ' HIS . . . . . 0.572 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 20.2 m-70 -70.41 -52.12 24.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.294 -0.412 . . . . 10.0 110.434 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 511' ' ' VAL . . . . . 0.436 ' O ' ' HG3' ' D' ' 515' ' ' ARG . 77.4 t -63.21 -42.54 96.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.439 -0.346 . . . . 10.0 111.14 179.753 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -61.05 -37.26 82.01 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.638 -0.504 . . . . 10.0 109.638 179.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 513' ' ' ALA . . . . . 0.433 ' HB2' ' NZ ' ' A' ' 264' ' ' LYS . . . -66.43 -45.64 79.18 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.631 -0.877 . . . . 10.0 108.631 178.07 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 514' ' ' LEU . . . . . 0.585 ' HA ' ' HB2' ' D' ' 517' ' ' HIS . 89.9 mt -57.99 -27.4 63.45 Favored 'General case' 0 C--O 1.23 0.06 0 CA-C-N 115.915 -0.584 . . . . 10.0 111.184 179.47 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 515' ' ' ARG . . . . . 0.436 ' HG3' ' O ' ' D' ' 511' ' ' VAL . 75.0 mtt180 -63.79 -23.63 67.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.028 0.442 . . . . 10.0 110.067 178.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 1.5 m -118.92 -1.17 11.05 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.171 0.51 . . . . 10.0 110.332 179.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 517' ' ' HIS . . . . . 0.585 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 36.7 m170 -106.58 -45.2 4.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.09 -0.504 . . . . 10.0 111.624 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 54.0 mt -94.89 -46.03 7.03 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.777 0.288 . . . . 10.0 111.777 -179.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 519' ' ' ALA . . . . . 0.719 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -54.31 -58.77 12.31 Favored Pre-proline 0 CA--C 1.537 0.462 0 N-CA-C 112.22 0.452 . . . . 10.0 112.22 -179.681 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 520' ' ' PRO . . . . . 0.719 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 32.4 Cg_exo -63.31 -28.11 72.01 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 121.951 1.767 . . . . 10.0 110.633 178.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 521' ' ' TYR . . . . . 0.435 ' HB2' ' O ' ' D' ' 517' ' ' HIS . 40.0 t80 -64.33 -48.18 76.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.975 -0.557 . . . . 10.0 109.958 179.169 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 522' ' ' SER . . . . . 0.491 ' O ' ' HG3' ' D' ' 526' ' ' ARG . 0.3 OUTLIER -64.9 -31.22 72.36 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.598 -0.519 . . . . 10.0 109.598 178.849 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -68.13 -46.18 71.57 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.933 -0.576 . . . . 10.0 109.475 178.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -65.91 -32.74 74.41 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.738 -0.664 . . . . 10.0 109.258 178.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 525' ' ' LEU . . . . . 0.497 ' O ' ' HG ' ' D' ' 529' ' ' LEU . 33.8 mt -66.36 -35.97 81.68 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.313 178.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 526' ' ' ARG . . . . . 0.491 ' HG3' ' O ' ' D' ' 522' ' ' SER . 77.6 mtt180 -58.74 -35.09 72.15 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.396 -0.366 . . . . 10.0 110.496 179.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -66.5 -37.95 86.18 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.103 -0.498 . . . . 10.0 110.184 179.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 528' ' ' ARG . . . . . 0.424 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 28.8 mtt180 -74.95 -42.58 57.4 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.311 -0.626 . . . . 10.0 109.311 179.251 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 529' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' D' ' 525' ' ' LEU . 70.8 mt -63.04 -30.99 72.03 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 115.699 -0.682 . . . . 10.0 110.937 179.388 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 530' ' ' ALA . . . . . 0.489 ' O ' ' HB2' ' D' ' 534' ' ' GLU . . . -63.86 -36.68 84.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.145 0.498 . . . . 10.0 109.767 178.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -78.16 -36.87 47.05 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.418 -0.81 . . . . 10.0 109.022 179.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -62.82 -51.16 68.13 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.595 -0.73 . . . . 10.0 109.841 178.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 61.6 mt -66.11 -34.18 77.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.795 -0.639 . . . . 10.0 110.265 179.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 534' ' ' GLU . . . . . 0.489 ' HB2' ' O ' ' D' ' 530' ' ' ALA . 31.6 tt0 -61.78 -46.94 87.38 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.504 -0.554 . . . . 10.0 109.504 178.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -66.12 -39.82 90.19 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.287 -0.87 . . . . 10.0 109.362 179.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 31.9 mt -63.97 -34.45 78.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.221 -0.445 . . . . 10.0 111.352 179.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 38.6 mtmt -79.45 -37.92 35.84 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.218 -0.446 . . . . 10.0 111.136 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.06 -53.53 9.79 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.607 0.241 . . . . 10.0 111.055 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -68.49 -32.33 72.23 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.122 -0.695 . . . . 10.0 109.122 179.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 540' ' ' GLY . . . . . 0.423 ' O ' ' HG ' ' D' ' 544' ' ' LEU . . . -69.54 -44.94 61.79 Favored Glycine 0 N--CA 1.443 -0.833 0 N-CA-C 110.427 -1.069 . . . . 10.0 110.427 178.44 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -61.75 -42.34 99.74 Favored Glycine 0 N--CA 1.448 -0.505 0 N-CA-C 110.554 -1.019 . . . . 10.0 110.554 178.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -62.19 -45.89 91.38 Favored 'General case' 0 N--CA 1.453 -0.275 0 N-CA-C 109.122 -0.696 . . . . 10.0 109.122 178.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 543' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' D' ' 543' ' ' ARG . 41.8 mtt180 -64.93 -34.6 78.81 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.287 179.077 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 544' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' D' ' 540' ' ' GLY . 31.3 mt -63.42 -38.58 91.71 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.266 -0.642 . . . . 10.0 109.266 178.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -69.58 -41.47 75.76 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 108.863 -0.792 . . . . 10.0 108.863 178.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -63.06 -49.1 75.87 Favored 'General case' 0 N--CA 1.461 0.076 0 CA-C-N 115.676 -0.693 . . . . 10.0 109.872 178.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -62.67 -38.47 90.45 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.208 179.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 20.2 t-80 -66.61 -45.34 79.45 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.698 0.285 . . . . 10.0 110.264 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 549' ' ' ALA . . . . . 0.614 ' O ' ' HG3' ' D' ' 553' ' ' GLU . . . -65.73 -43.86 87.73 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.33 -0.618 . . . . 10.0 109.33 178.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 550' ' ' LYS . . . . . 0.451 ' HB2' ' HE2' ' D' ' 550' ' ' LYS . 2.5 ttmm -65.28 -24.35 67.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.765 -0.652 . . . . 10.0 111.351 179.683 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -67.07 -43.56 82.31 Favored 'General case' 0 CA--C 1.516 -0.355 0 N-CA-C 108.815 -0.809 . . . . 10.0 108.815 178.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.48 -33.66 67.14 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.737 -0.665 . . . . 10.0 109.467 178.642 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 553' ' ' GLU . . . . . 0.614 ' HG3' ' O ' ' D' ' 549' ' ' ALA . 38.6 mt-10 -61.03 -51.25 70.01 Favored 'General case' 0 CA--C 1.52 -0.192 0 N-CA-C 108.741 -0.837 . . . . 10.0 108.741 178.135 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -68.32 -27.86 66.66 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.126 -0.943 . . . . 10.0 110.206 179.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 54.8 tp -63.77 -42.91 97.7 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.432 -0.581 . . . . 10.0 109.432 178.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 7.8 m -66.21 -32.36 73.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.356 -0.838 . . . . 10.0 109.708 178.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 37.7 m -72.78 -39.62 66.6 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.764 -0.653 . . . . 10.0 109.274 178.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 50.9 mt -64.35 -48.57 75.02 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 115.626 -0.716 . . . . 10.0 110.52 179.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 5.3 p -64.52 -36.51 84.43 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.649 0.261 . . . . 10.0 110.538 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -60.89 -31.36 70.85 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.548 179.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.34 26.73 10.37 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.563 179.472 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -120.69 -51.8 2.14 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.829 -0.623 . . . . 10.0 109.655 178.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 563' ' ' LYS . . . . . 0.474 ' HB2' ' HD3' ' D' ' 564' ' ' PRO . 94.9 mttt -56.6 -60.69 8.51 Favored Pre-proline 0 CA--C 1.534 0.348 0 CA-C-N 115.76 -0.654 . . . . 10.0 112.226 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 564' ' ' PRO . . . . . 0.474 ' HD3' ' HB2' ' D' ' 563' ' ' LYS . 57.8 Cg_endo -70.83 -26.45 22.54 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 121.483 1.456 . . . . 10.0 111.422 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -64.64 -53.22 51.0 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 116.361 -0.382 . . . . 10.0 110.198 179.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 95.6 mt -61.68 -39.33 91.05 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.876 0.37 . . . . 10.0 110.173 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -61.48 -56.29 21.75 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.947 179.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -63.88 -43.88 94.72 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.807 -0.633 . . . . 10.0 111.812 -179.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 19.5 mt -60.38 -44.17 95.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.403 -0.362 . . . . 10.0 111.102 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 570' ' ' ARG . . . . . 0.431 HH11 ' HD2' ' D' ' 570' ' ' ARG . 56.5 mtt85 -68.31 -42.38 79.49 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.949 -0.301 . . . . 10.0 110.743 179.124 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -64.86 -19.13 65.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.35 -0.387 . . . . 10.0 110.708 179.034 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -95.54 -31.08 7.67 Favored Glycine 0 N--CA 1.447 -0.605 0 N-CA-C 110.721 -0.952 . . . . 10.0 110.721 178.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 573' ' ' LEU . . . . . 0.488 ' HA ' HG12 ' D' ' 576' ' ' VAL . 13.8 mt -69.64 -37.12 76.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.362 -0.419 . . . . 10.0 111.06 179.274 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 574' ' ' LEU . . . . . 0.612 ' O ' ' HG2' ' D' ' 578' ' ' GLU . 43.6 mt -55.16 -62.72 3.86 Favored Pre-proline 0 CA--C 1.535 0.382 0 N-CA-C 111.979 0.363 . . . . 10.0 111.979 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 575' ' ' PRO . . . . . 0.442 ' HD3' ' HB2' ' D' ' 574' ' ' LEU . 30.2 Cg_endo -64.12 -34.62 56.9 Favored 'Trans proline' 0 C--N 1.354 0.839 0 C-N-CA 122.003 1.802 . . . . 10.0 112.244 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 576' ' ' VAL . . . . . 0.488 HG12 ' HA ' ' D' ' 573' ' ' LEU . 0.5 OUTLIER -66.02 -38.0 81.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 120.371 -0.532 . . . . 10.0 110.286 179.626 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 577' ' ' LEU . . . . . 0.409 ' O ' ' HG3' ' D' ' 581' ' ' LYS . 34.2 mt -69.92 -36.52 75.4 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 109.834 -0.432 . . . . 10.0 109.834 178.753 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 578' ' ' GLU . . . . . 0.612 ' HG2' ' O ' ' D' ' 574' ' ' LEU . 21.3 mm-40 -61.7 -42.83 99.47 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 108.715 -0.846 . . . . 10.0 108.715 177.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 10.8 m -67.6 -38.22 83.67 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.361 -0.836 . . . . 10.0 110.155 179.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 6.6 m-30 -65.14 -40.06 93.89 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-N 115.931 -0.577 . . . . 10.0 109.951 178.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 581' ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' D' ' 577' ' ' LEU . 92.8 mttt -57.79 -47.49 82.4 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.334 -0.617 . . . . 10.0 109.334 178.562 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 88.8 t -60.1 -41.82 87.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.846 -0.616 . . . . 10.0 111.385 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -71.12 -40.98 71.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.794 0.33 . . . . 10.0 111.288 -179.472 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -70.56 -39.95 73.65 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.552 -0.295 . . . . 10.0 111.214 179.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 585' ' ' LEU . . . . . 0.403 ' O ' ' HB2' ' D' ' 589' ' ' GLU . 23.9 mt -59.6 -49.9 75.95 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.485 -0.325 . . . . 10.0 110.164 179.112 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 6.2 p -66.47 -37.42 85.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.516 179.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 587' ' ' ALA . . . . . 0.563 ' HA ' ' HZ3' ' A' ' 396' ' ' LYS . . . -59.64 -57.97 10.6 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.15 -0.477 . . . . 10.0 110.679 179.206 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 63.2 mt -61.19 -43.09 99.44 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.256 -0.429 . . . . 10.0 111.175 -179.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 589' ' ' GLU . . . . . 0.475 ' O ' ' HG3' ' D' ' 593' ' ' LYS . 20.1 tt0 -59.32 -54.81 42.51 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.924 -0.58 . . . . 10.0 111.307 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -67.38 -30.13 69.83 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.274 0.472 . . . . 10.0 112.274 -179.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 1.4 m-30 -63.8 -45.74 88.31 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.05 0.453 . . . . 10.0 110.078 178.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 4.9 m -64.56 -20.06 66.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.653 -0.703 . . . . 10.0 111.341 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 593' ' ' LYS . . . . . 0.475 ' HG3' ' O ' ' D' ' 589' ' ' GLU . 83.3 mttt -82.25 -41.89 19.61 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.082 0.468 . . . . 10.0 110.26 179.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 594' ' ' LYS . . . . . 0.461 ' HE2' ' HB2' ' A' ' 388' ' ' SER . 11.9 mptt -74.57 -32.37 62.38 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.706 -0.679 . . . . 10.0 111.393 -179.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 87.3 mt -104.77 26.19 9.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.004 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 . . . . . 0 C--N 1.326 -0.415 0 CA-C-N 116.196 -0.457 . . . . 10.0 111.497 -179.592 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 15.2 m . . . . . 0 C--O 1.235 0.314 0 CA-C-O 121.054 0.454 . . . . 10.0 110.793 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.59 134.16 35.18 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.348 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -103.17 131.18 50.4 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.0 0.428 . . . . 10.0 110.824 179.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -119.52 116.29 25.78 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.117 -0.697 . . . . 10.0 109.117 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.684 ' HA ' ' HB3' ' B' ' 54' ' ' ASP . 47.5 mttm -81.95 115.18 21.0 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.701 0.286 . . . . 10.0 110.955 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 8.4 mt -114.91 126.16 54.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.198 -0.455 . . . . 10.0 111.235 -178.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 40.1 t -111.83 125.2 69.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.225 -0.443 . . . . 10.0 109.828 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 8.0 t -90.79 112.15 24.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.316 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.4 HG23 ' HA ' ' B' ' 80' ' ' CYS . 17.5 m -108.57 144.92 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.086 -0.506 . . . . 10.0 111.073 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 158.77 164.38 14.24 Favored Glycine 0 N--CA 1.443 -0.878 0 N-CA-C 110.472 -1.051 . . . . 10.0 110.472 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.78 161.88 28.11 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.06 0.457 . . . . 10.0 110.968 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -73.36 118.38 16.24 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.289 0.566 . . . . 10.0 111.318 -179.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 122.65 -10.45 9.08 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.706 -0.759 . . . . 10.0 112.793 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 25.9 m -76.03 -15.35 15.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.861 0.362 . . . . 10.0 111.724 -179.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 89.42 25.45 28.22 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.929 -0.653 . . . . 10.0 112.664 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.481 ' H ' ' HG2' ' B' ' 16' ' ' LYS . 3.8 ptmm? -60.33 -34.86 74.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.584 0.23 . . . . 10.0 111.597 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . 0.417 ' OG ' ' O3G' ' B' ' 201' ' ' GSP . 48.7 m -72.82 -45.91 55.93 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.697 -0.483 . . . . 10.0 109.697 179.066 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.96 -44.78 78.78 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.724 -0.671 . . . . 10.0 111.531 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.466 HD11 ' HB2' ' B' ' 116' ' ' ASN . 53.4 mt -59.88 -40.62 89.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.261 -0.427 . . . . 10.0 111.021 179.57 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 16.4 m -70.03 -45.24 67.6 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.108 -0.497 . . . . 10.0 110.659 179.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 95.5 mt -61.97 -34.75 64.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.761 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . 0.533 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 6.1 mm-40 -64.97 -19.49 66.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.115 -0.493 . . . . 10.0 111.563 179.493 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.403 HD22 ' CD2' ' B' ' 156' ' ' PHE . 11.1 tp -97.34 -36.46 10.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.071 0.462 . . . . 10.0 110.975 179.511 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 43.0 mm -79.31 -50.02 18.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.017 -0.538 . . . . 10.0 112.192 -178.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . 0.496 ' HB2' ' HD2' ' B' ' 27' ' ' HIS . 78.8 mt-30 -106.68 -5.24 18.71 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.169 0.433 . . . . 10.0 112.169 -178.048 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . 0.533 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 89.4 m-20 56.12 44.15 25.71 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.992 -0.549 . . . . 10.0 112.473 179.325 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . 0.496 ' HD2' ' HB2' ' B' ' 25' ' ' GLN . 1.6 p80 -149.29 157.87 43.7 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.467 -0.333 . . . . 10.0 110.273 179.498 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -101.95 141.42 34.83 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.182 -0.463 . . . . 10.0 111.194 -179.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 16.2 m -100.71 129.02 52.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.781 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -90.78 -31.3 16.57 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.404 0.621 . . . . 10.0 110.128 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -86.94 145.85 26.38 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.323 -0.853 . . . . 10.0 110.783 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . 0.405 ' CG ' H5'2 ' B' ' 201' ' ' GSP . 1.2 t80 -102.16 115.8 31.32 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.945 -0.571 . . . . 10.0 110.673 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -109.54 127.63 26.84 Favored Pre-proline 0 C--N 1.32 -0.715 0 CA-C-N 115.664 -0.698 . . . . 10.0 110.054 179.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -57.6 112.39 1.12 Allowed 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.706 2.271 . . . . 10.0 111.317 179.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.459 ' OG1' ' O3G' ' B' ' 201' ' ' GSP . 12.1 m -95.81 119.39 34.22 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.236 -0.438 . . . . 10.0 111.707 -179.026 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.634 ' HA ' ' HB2' ' B' ' 59' ' ' ALA . 50.4 mm -100.86 -47.89 11.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 108.567 -0.901 . . . . 10.0 108.567 178.042 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -159.27 101.37 1.56 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.673 -0.694 . . . . 10.0 110.376 179.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -107.89 117.95 35.47 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.25 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 4.4 p -106.84 118.76 37.54 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.897 0.38 . . . . 10.0 110.838 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -129.88 136.38 49.46 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.286 -0.415 . . . . 10.0 111.245 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.47 ' HD2' ' OD1' ' B' ' 54' ' ' ASP . 0.3 OUTLIER -120.1 142.79 48.57 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.224 179.565 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 37.7 tttp -154.58 151.26 28.65 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.215 -0.661 . . . . 10.0 109.215 -179.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -129.68 121.82 27.73 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.842 0.353 . . . . 10.0 110.417 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . 0.508 HG23 HG13 ' B' ' 46' ' ' ILE . 6.3 m -135.72 173.28 14.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.481 -179.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 3.1 t -98.58 89.39 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.637 -0.505 . . . . 10.0 109.637 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . 0.508 HG13 HG23 ' B' ' 44' ' ' VAL . 78.0 mt -89.46 114.06 26.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.908 -179.457 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 59.91 28.2 17.67 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.693 -0.685 . . . . 10.0 111.684 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.8 -6.58 79.64 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.374 -0.917 . . . . 10.0 112.696 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -106.42 113.61 27.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.655 0.264 . . . . 10.0 110.867 -179.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.47 110.92 8.14 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.859 -0.793 . . . . 10.0 108.859 178.312 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -130.19 158.71 38.98 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 112.209 0.448 . . . . 10.0 112.209 -178.122 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 36.4 tp -97.5 126.63 42.9 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.535 -0.757 . . . . 10.0 109.976 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 6.5 mp -92.32 109.75 21.14 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.745 -0.661 . . . . 10.0 110.616 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . 0.684 ' HB3' ' HA ' ' B' ' 5' ' ' LYS . 26.2 t70 -93.55 80.52 4.32 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.279 -1.008 . . . . 10.0 108.279 178.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 8.7 mt -86.97 135.59 24.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 112.776 0.658 . . . . 10.0 112.776 -177.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 38.7 tp -131.92 105.67 7.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.589 -0.732 . . . . 10.0 110.245 179.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . 0.435 ' OD2' HG21 ' B' ' 35' ' ' THR . 25.0 t0 -93.12 103.69 15.96 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.288 -0.634 . . . . 10.0 109.288 179.66 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.33 154.86 18.42 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 112.581 0.586 . . . . 10.0 112.581 -178.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' ALA . . . . . 0.634 ' HB2' ' HA ' ' B' ' 36' ' ' ILE . . . -54.52 139.77 36.78 Favored 'General case' 0 C--N 1.334 -0.101 0 N-CA-C 112.781 0.66 . . . . 10.0 112.781 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -119.73 30.82 5.59 Favored Glycine 0 N--CA 1.45 -0.411 0 N-CA-C 110.523 -1.031 . . . . 10.0 110.523 179.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -95.81 26.84 3.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.252 -0.474 . . . . 10.0 110.636 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 57.66 -161.11 0.23 Allowed 'General case' 0 C--O 1.238 0.481 0 CA-C-N 115.463 -0.79 . . . . 10.0 111.642 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 75.4 -44.48 0.53 Allowed 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.861 -0.609 . . . . 10.0 112.533 178.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' TYR . . . . . 0.58 ' O ' ' HB2' ' B' ' 68' ' ' ARG . 63.3 m-85 -72.49 78.73 1.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.008 0.432 . . . . 10.0 111.034 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.94 -50.26 7.65 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.803 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.59 -28.73 33.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 10.0 111.121 -179.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . 0.4 ' HB3' ' HB3' ' B' ' 64' ' ' TYR . 22.5 ttt -73.87 -33.67 64.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.469 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . 0.742 ' HA ' ' CE2' ' B' ' 71' ' ' TYR . 7.5 ttp180 -62.31 -32.96 73.78 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.487 -0.324 . . . . 10.0 111.185 -179.383 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -60.77 -26.72 67.46 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.695 -0.684 . . . . 10.0 111.921 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -66.4 -60.97 2.26 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 112.347 0.499 . . . . 10.0 112.347 -178.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' TYR . . . . . 0.742 ' CE2' ' HA ' ' B' ' 68' ' ' ARG . 0.1 OUTLIER -66.72 -27.58 67.74 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.7 0.63 . . . . 10.0 112.7 -178.92 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . 0.433 ' HA ' ' CZ ' ' B' ' 78' ' ' PHE . 54.6 mtt -72.76 -12.85 61.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.459 0.647 . . . . 10.0 110.76 179.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -91.23 -45.46 8.62 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.67 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 2.5 m -80.72 -32.04 35.91 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.688 0.625 . . . . 10.0 112.688 -178.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.74 150.77 51.87 Favored Glycine 0 C--O 1.226 -0.384 0 C-N-CA 120.427 -0.892 . . . . 10.0 112.216 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -107.44 -45.84 3.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 117.084 0.442 . . . . 10.0 111.022 -179.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . 0.53 ' HA3' HD11 ' B' ' 163' ' ' ILE . . . -109.98 137.86 14.5 Favored Glycine 0 N--CA 1.445 -0.73 0 N-CA-C 110.983 -0.847 . . . . 10.0 110.983 179.278 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . 0.643 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 94.1 m-85 -118.43 114.57 23.09 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.157 0.503 . . . . 10.0 111.8 -179.266 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.509 HD13 HD22 ' B' ' 159' ' ' LEU . 9.2 tp -91.93 108.99 20.32 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.503 -0.771 . . . . 10.0 109.569 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . 0.521 ' HB3' HD12 ' B' ' 93' ' ' ILE . 6.8 m -87.06 101.05 13.09 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.625 -179.543 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 43.8 t -103.35 128.42 56.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.941 0.4 . . . . 10.0 111.246 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 21.6 p90 -133.94 172.12 13.25 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.226 -0.443 . . . . 10.0 109.96 179.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -116.57 131.94 56.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.48 -0.327 . . . . 10.0 111.408 -179.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . 0.578 HD12 ' HB3' ' B' ' 123' ' ' ARG . 15.6 pt -66.05 -23.04 31.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.962 -0.563 . . . . 10.0 111.592 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 19.6 p-10 -96.83 17.58 16.38 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.52 179.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -143.85 89.7 2.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.791 -0.641 . . . . 10.0 110.171 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -57.39 -30.96 65.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.816 -0.629 . . . . 10.0 111.565 -179.562 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -58.38 -47.38 84.04 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.708 -0.678 . . . . 10.0 111.304 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . 0.51 ' O ' HG12 ' B' ' 93' ' ' ILE . 96.0 p -62.74 -30.42 71.42 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.532 -0.304 . . . . 10.0 111.712 -179.49 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -64.07 -39.98 95.25 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.573 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -77.55 -31.25 53.14 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.16 179.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -60.7 -33.75 73.34 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.853 -0.612 . . . . 10.0 111.105 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 93' ' ' ILE . . . . . 0.521 HD12 ' HB3' ' B' ' 80' ' ' CYS . 51.2 mm -57.04 -37.55 55.64 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.912 179.697 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 61.3 t60 -65.57 -47.51 75.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.925 -0.58 . . . . 10.0 110.133 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 60.9 m-70 -61.79 -37.92 86.15 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.014 -0.539 . . . . 10.0 110.815 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -63.95 -46.52 84.33 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 115.967 -0.561 . . . . 10.0 110.268 179.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 97' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' B' ' 97' ' ' ARG . 37.8 ttt-85 -58.83 -41.78 87.71 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.941 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -60.14 -42.33 94.62 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.046 -0.525 . . . . 10.0 111.541 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 99' ' ' GLN . . . . . 0.53 ' O ' HG23 ' B' ' 103' ' ' VAL . 48.9 tt0 -69.91 -45.21 68.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.399 -0.364 . . . . 10.0 111.09 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 84.4 mt -54.79 -44.37 71.14 Favored 'Isoleucine or valine' 0 C--O 1.238 0.487 0 CA-C-O 121.02 0.438 . . . . 10.0 110.834 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . 0.41 ' HB2' ' HE3' ' B' ' 101' ' ' LYS . 25.5 mtmt -66.37 -26.67 67.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.728 -0.669 . . . . 10.0 111.163 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 23.8 ttm180 -78.99 -41.1 29.84 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.942 0.401 . . . . 10.0 110.742 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . 0.53 HG23 ' O ' ' B' ' 99' ' ' GLN . 45.2 t -62.3 -51.49 71.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.037 -179.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -85.57 -10.6 55.69 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.378 -0.374 . . . . 10.0 111.625 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 55.68 41.45 30.44 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.691 0.758 . . . . 10.0 110.361 -178.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 10.7 t -140.77 135.86 31.92 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.043 -0.981 . . . . 10.0 109.573 -179.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -85.47 -23.82 27.64 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.265 0.555 . . . . 10.0 110.384 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -99.17 89.48 4.25 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.185 -0.461 . . . . 10.0 111.035 -179.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 55.0 t -121.08 129.65 25.19 Favored Pre-proline 0 C--O 1.236 0.394 0 CA-C-N 115.692 -0.685 . . . . 10.0 109.643 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -62.45 106.88 0.52 Allowed 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.805 2.337 . . . . 10.0 111.587 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 111' ' ' MET . . . . . 0.643 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 64.7 mtm -135.64 151.79 50.58 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.917 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . 0.419 ' HB ' HD12 ' B' ' 79' ' ' LEU . 92.4 t -132.52 133.8 59.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 109.686 -0.487 . . . . 10.0 109.686 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 16.8 tp -89.75 114.4 26.09 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.077 0.465 . . . . 10.0 109.802 179.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 63.2 t -113.06 122.5 67.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.961 -0.563 . . . . 10.0 111.355 -178.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -102.46 109.88 3.64 Favored Glycine 0 N--CA 1.447 -0.576 0 N-CA-C 110.811 -0.916 . . . . 10.0 110.811 178.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 116' ' ' ASN . . . . . 0.466 ' HB2' HD11 ' B' ' 19' ' ' LEU . 66.0 t30 -92.71 165.49 12.93 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 117.076 0.438 . . . . 10.0 111.24 -179.492 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . 0.583 ' HE2' ' C4 ' ' B' ' 201' ' ' GSP . 83.7 mttt 62.01 31.45 17.97 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 112.63 0.604 . . . . 10.0 112.63 179.203 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 118' ' ' CYS . . . . . 0.412 ' HA ' ' CD1' ' B' ' 84' ' ' ILE . 60.4 m -72.98 1.18 9.36 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.651 0.611 . . . . 10.0 112.651 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -101.09 1.76 39.67 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.825 0.345 . . . . 10.0 110.916 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . 0.433 ' HA ' ' HD3' ' B' ' 121' ' ' PRO . 54.9 mt -85.89 145.2 40.63 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.377 -0.374 . . . . 10.0 111.112 179.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 121' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' B' ' 120' ' ' LEU . 5.8 Cg_exo -79.46 150.7 22.25 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 122.996 2.464 . . . . 10.0 111.106 179.106 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 53.6 m 63.87 81.99 0.19 Allowed 'General case' 0 C--O 1.236 0.392 0 N-CA-C 112.63 0.604 . . . . 10.0 112.63 -179.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 123' ' ' ARG . . . . . 0.578 ' HB3' HD12 ' B' ' 84' ' ' ILE . 6.1 ptp180 -100.27 139.8 35.42 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.866 -0.606 . . . . 10.0 110.44 179.598 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 2.7 m -88.13 -43.56 11.57 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.091 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 125' ' ' VAL . . . . . 0.455 ' HB ' ' HA ' ' B' ' 84' ' ' ILE . 47.9 t -89.49 113.45 25.91 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 CA-C-N 115.839 -0.618 . . . . 10.0 109.639 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . 0.559 ' HB3' ' HG2' ' B' ' 128' ' ' LYS . 7.7 m-20 -80.53 149.32 30.03 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.534 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.52 -37.69 79.02 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.772 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 128' ' ' LYS . . . . . 0.559 ' HG2' ' HB3' ' B' ' 126' ' ' ASP . 14.8 ptpt -54.96 -45.13 74.89 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 113.147 0.795 . . . . 10.0 113.147 -179.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -75.61 -35.59 60.49 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.921 -0.312 . . . . 10.0 111.792 -179.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -69.16 -42.43 75.93 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.208 0.528 . . . . 10.0 111.042 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -68.38 -40.52 81.35 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.917 -0.583 . . . . 10.0 111.737 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . 0.415 ' HB2' ' HB3' ' C' ' 47' ' ' ASP . 17.8 t70 -63.23 -38.63 91.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.943 0.401 . . . . 10.0 110.617 179.428 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 21.7 tp -65.88 -44.89 84.02 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.118 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -58.39 -45.19 88.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.796 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 135' ' ' ARG . . . . . 0.547 ' HD3' ' CG ' ' C' ' 161' ' ' ARG . 33.6 ttp85 -59.93 -43.39 94.98 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.011 -0.54 . . . . 10.0 110.721 179.651 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 19.2 m -63.08 -23.72 67.57 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.032 -0.531 . . . . 10.0 111.873 -179.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 19.5 m-30 -99.36 -5.55 29.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.911 0.386 . . . . 10.0 111.659 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 76.44 28.04 60.42 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.939 -0.648 . . . . 10.0 113.041 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 45.4 pt -119.45 153.31 53.79 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 116.598 0.199 . . . . 10.0 110.737 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -86.32 153.84 9.35 Favored 'Trans proline' 0 N--CA 1.46 -0.455 0 C-N-CA 122.536 2.157 . . . . 10.0 111.602 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -124.44 132.65 53.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.469 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 2.6 mp -133.89 127.12 51.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.155 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -79.88 135.23 36.39 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 108.977 -0.749 . . . . 10.0 108.977 178.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 47.6 p -136.81 -178.77 5.33 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.518 0.675 . . . . 10.0 111.62 -178.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 10.5 t -167.26 119.39 0.92 Allowed 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 107.878 -1.156 . . . . 10.0 107.878 178.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 146' ' ' ALA . . . . . 0.418 ' N ' ' O6 ' ' B' ' 201' ' ' GSP . . . -76.79 -27.9 55.43 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.977 -0.749 . . . . 10.0 108.977 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 147' ' ' LYS . . . . . 0.457 ' HB2' ' N1 ' ' B' ' 201' ' ' GSP . 71.7 tttt -63.77 -46.19 86.39 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.78 -1.1 . . . . 10.0 111.635 179.532 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 40.6 p -101.87 -0.95 33.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.922 0.391 . . . . 10.0 111.077 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 30.1 ttt-85 59.77 46.51 11.41 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.688 -0.687 . . . . 10.0 111.231 -179.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -96.42 125.58 41.02 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.619 -0.718 . . . . 10.0 110.739 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 65.2 12.36 55.05 Favored Glycine 0 C--N 1.335 0.484 0 C-N-CA 121.46 -0.4 . . . . 10.0 113.896 178.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 31.2 t -59.57 -44.83 94.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.697 0.248 . . . . 10.0 111.505 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -75.86 -41.92 50.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.239 -0.437 . . . . 10.0 110.444 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -56.96 -37.72 71.97 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.614 0.598 . . . . 10.0 112.614 -178.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -56.58 -51.56 68.15 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.024 0.44 . . . . 10.0 111.079 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 156' ' ' PHE . . . . . 0.403 ' CD2' HD22 ' B' ' 23' ' ' LEU . 77.2 m-85 -70.09 -39.47 75.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.995 -0.548 . . . . 10.0 111.02 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -57.41 -48.37 79.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.677 179.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 158' ' ' THR . . . . . 0.5 ' O ' ' HG2' ' B' ' 162' ' ' GLU . 30.9 m -62.5 -43.56 98.52 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.954 -0.567 . . . . 10.0 111.196 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 159' ' ' LEU . . . . . 0.509 HD22 HD13 ' B' ' 79' ' ' LEU . 30.0 tp -58.55 -50.73 72.73 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.642 0.258 . . . . 10.0 111.264 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 74.3 t -61.25 -41.94 91.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.313 0.578 . . . . 10.0 110.263 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 22.1 ttp180 -62.86 -38.89 92.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.573 -0.739 . . . . 10.0 111.037 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 162' ' ' GLU . . . . . 0.5 ' HG2' ' O ' ' B' ' 158' ' ' THR . 60.4 mm-40 -65.61 -39.99 92.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.643 -0.253 . . . . 10.0 110.556 179.291 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 163' ' ' ILE . . . . . 0.53 HD11 ' HA3' ' B' ' 77' ' ' GLY . 67.3 mt -63.28 -44.39 99.13 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 N-CA-C 109.304 -0.628 . . . . 10.0 109.304 178.622 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 164' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' B' ' 164' ' ' ARG . 39.0 ttm180 -63.04 -42.73 99.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.712 -0.676 . . . . 10.0 109.332 179.102 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 30.9 ttmt -59.66 -41.9 91.63 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.546 -0.752 . . . . 10.0 109.507 178.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -57.79 -45.27 86.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.569 -0.741 . . . . 10.0 110.518 179.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -61.22 -40.68 94.92 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.922 0.391 . . . . 10.0 110.996 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -70.12 -46.19 65.32 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.605 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 46.7 mtpt -66.22 -35.17 79.73 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.772 -0.649 . . . . 10.0 111.857 -179.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 54.9 mmm -64.62 -22.49 66.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.426 -0.352 . . . . 10.0 111.327 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 19.3 m -78.75 -9.53 59.46 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.158 179.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -114.49 -29.0 6.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.085 -0.507 . . . . 10.0 111.033 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 173' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 69.58 -75.52 0.07 Allowed 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.407 0.622 . . . . 10.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . -179.94 -43.84 0.08 OUTLIER Glycine 0 N--CA 1.442 -0.9 0 N-CA-C 110.483 -1.047 . . . . 10.0 110.483 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 175' ' ' LYS . . . . . . . . . . . . . 13.7 mmtm -146.67 -177.27 5.55 Favored 'General case' 0 C--O 1.24 0.574 0 N-CA-C 109.906 -0.405 . . . . 10.0 109.906 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 176' ' ' LYS . . . . . . . . . . . . . 64.1 mmtt 58.88 40.91 22.13 Favored 'General case' 0 C--O 1.235 0.295 0 O-C-N 123.879 0.737 . . . . 10.0 112.742 178.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 177' ' ' LYS . . . . . 0.445 ' HA ' ' HE3' ' B' ' 177' ' ' LYS . 0.9 OUTLIER -110.87 -176.49 2.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.811 -0.177 . . . . 10.0 111.416 179.732 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 27.8 mttt 61.09 39.32 16.32 Favored 'General case' 0 N--CA 1.465 0.28 0 O-C-N 123.774 0.671 . . . . 10.0 110.309 -179.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 179' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -91.12 90.22 7.72 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.471 -0.786 . . . . 10.0 111.173 -179.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 180' ' ' LYS . . . . . 0.599 ' O ' ' H82' ' B' ' 204' ' ' PCW . 2.5 tmtp? -158.2 111.23 2.39 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.001 179.41 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 181' ' ' SER . . . . . 0.601 ' OG ' ' H52' ' B' ' 204' ' ' PCW . 16.3 m -140.54 154.29 46.47 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.156 -0.474 . . . . 10.0 110.67 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 182' ' ' LYS . . . . . 0.728 ' HE2' ' H1 ' ' A' ' 416' ' ' 17F . 70.9 tttt -79.35 80.56 5.7 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.266 0.555 . . . . 10.0 110.994 -179.489 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 5.7 t -139.95 -177.67 5.09 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.721 -0.672 . . . . 10.0 109.822 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 184' ' ' LYS . . . . . . . . . . . . . 51.1 tttm . . . . . 0 C--O 1.233 0.209 0 O-C-N 123.105 0.253 . . . . 10.0 110.537 -179.661 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 7.4 m . . . . . 0 N--CA 1.455 -0.211 0 CA-C-O 120.526 0.203 . . . . 10.0 111.044 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 2' ' ' THR . . . . . 0.623 ' HB ' ' CE2' ' C' ' 4' ' ' TYR . 0.0 OUTLIER -85.81 120.47 27.26 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.482 -0.327 . . . . 10.0 110.219 179.521 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -87.77 131.2 34.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.698 0.285 . . . . 10.0 110.619 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 4' ' ' TYR . . . . . 0.623 ' CE2' ' HB ' ' C' ' 2' ' ' THR . 97.8 m-85 -129.45 119.36 23.65 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.301 -0.408 . . . . 10.0 110.39 179.449 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 48.5 mttm -87.83 113.8 23.83 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.034 0.445 . . . . 10.0 110.016 179.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . 0.43 ' O ' ' HA ' ' C' ' 55' ' ' ILE . 17.3 mt -113.31 126.2 55.13 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.852 -0.613 . . . . 10.0 111.211 -178.05 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 46.4 t -112.88 123.66 68.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.295 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 3.0 t -87.12 123.14 39.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.229 -0.656 . . . . 10.0 109.229 179.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 27.7 m -119.13 156.73 21.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.975 0.417 . . . . 10.0 111.795 -179.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 146.11 171.32 15.45 Favored Glycine 0 N--CA 1.444 -0.788 0 N-CA-C 110.998 -0.841 . . . . 10.0 110.998 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.37 164.34 23.15 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.721 0.296 . . . . 10.0 110.412 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 12' ' ' ASP . . . . . 0.544 ' HA ' ' O1B' ' C' ' 201' ' ' GSP . 0.3 OUTLIER -78.54 142.47 37.35 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.955 -0.298 . . . . 10.0 110.509 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 13' ' ' GLY . . . . . 0.583 ' HA2' H5'1 ' C' ' 201' ' ' GSP . . . 91.48 3.49 69.08 Favored Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 116.007 -0.542 . . . . 10.0 113.466 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 14' ' ' VAL . . . . . 0.508 ' CG2' ' HG3' ' C' ' 16' ' ' LYS . 33.8 m -80.48 -30.91 12.55 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 N-CA-C 112.789 0.663 . . . . 10.0 112.789 -179.57 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . 0.521 ' CA ' ' H8 ' ' C' ' 201' ' ' GSP . . . 118.84 18.64 4.67 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.299 -0.953 . . . . 10.0 113.255 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . 0.508 ' HG3' ' CG2' ' C' ' 14' ' ' VAL . 54.1 mtmt -59.11 -41.72 88.83 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.022 0.439 . . . . 10.0 111.024 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 17' ' ' SER . . . . . 0.499 ' OG ' ' O3G' ' C' ' 201' ' ' GSP . 49.9 m -77.41 -38.46 49.73 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.145 -0.479 . . . . 10.0 110.446 -179.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.16 -43.02 96.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.401 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 19' ' ' LEU . . . . . 0.419 HD22 HG22 ' C' ' 152' ' ' VAL . 79.7 mt -64.74 -44.94 88.53 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.823 179.13 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 30.5 m -63.22 -46.67 85.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.969 -0.56 . . . . 10.0 111.554 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 98.2 mt -61.39 -34.07 59.56 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 CA-C-O 120.949 0.404 . . . . 10.0 110.485 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 22' ' ' GLN . . . . . 0.456 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 4.9 mm-40 -68.72 -13.89 62.67 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.586 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 24.6 tp -104.53 -36.3 7.57 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 120.961 0.41 . . . . 10.0 110.62 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 45.8 mm -76.74 -65.48 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.433 -0.349 . . . . 10.0 111.438 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -93.95 -13.93 26.52 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.901 0.382 . . . . 10.0 111.06 -179.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 26' ' ' ASN . . . . . 0.456 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 57.3 m-80 66.88 50.26 1.11 Allowed 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 113.545 0.943 . . . . 10.0 113.545 178.485 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 25.1 p80 -149.58 154.23 38.35 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.783 -0.19 . . . . 10.0 110.729 178.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -98.61 137.98 36.46 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.749 -0.205 . . . . 10.0 111.198 -179.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 2.0 m -103.13 123.3 56.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.457 . . . . 10.0 110.808 179.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -82.59 -22.13 34.95 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.27 0.557 . . . . 10.0 110.8 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -94.68 135.03 36.63 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.801 -0.636 . . . . 10.0 110.462 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 32' ' ' TYR . . . . . 0.762 ' HD1' H5'2 ' C' ' 201' ' ' GSP . 87.6 t80 -66.12 132.47 48.58 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.706 -0.225 . . . . 10.0 110.67 -179.536 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . 0.419 ' HA ' ' HD3' ' C' ' 34' ' ' PRO . 19.2 t70 -111.49 108.37 56.54 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 116.459 -0.337 . . . . 10.0 111.217 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 34' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' C' ' 33' ' ' ASP . 3.3 Cg_exo -81.14 70.42 7.49 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 123.2 2.6 . . . . 10.0 111.167 179.64 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 35' ' ' THR . . . . . 0.448 ' OG1' ' O3G' ' C' ' 201' ' ' GSP . 0.2 OUTLIER -67.28 156.45 36.35 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.132 -0.485 . . . . 10.0 111.498 -179.659 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 37.1 mm -102.23 -68.1 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 108.982 -0.747 . . . . 10.0 108.982 178.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -159.27 81.19 0.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.334 -0.848 . . . . 10.0 109.447 179.522 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -102.47 141.74 34.79 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.676 0.274 . . . . 10.0 111.108 -179.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -113.58 142.35 46.07 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.086 -0.506 . . . . 10.0 110.692 -179.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -132.38 135.56 46.22 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.537 -0.301 . . . . 10.0 110.406 -179.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -116.57 128.71 55.66 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.196 0.443 . . . . 10.0 112.196 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 34.8 tttp -142.74 133.48 25.35 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.813 -0.631 . . . . 10.0 109.694 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -107.69 110.79 22.73 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.846 0.355 . . . . 10.0 110.754 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 44' ' ' VAL . . . . . 0.478 HG23 HG13 ' C' ' 46' ' ' ILE . 3.8 m -122.82 -178.44 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.688 -179.683 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -113.09 69.92 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.967 0.413 . . . . 10.0 111.522 -179.183 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 46' ' ' ILE . . . . . 0.662 HD11 HD11 ' C' ' 53' ' ' LEU . 64.8 mt -73.92 124.47 31.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 CA-C-N 116.022 -0.535 . . . . 10.0 110.399 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 47' ' ' ASP . . . . . 0.415 ' HB3' ' HB2' ' B' ' 132' ' ' ASP . 66.6 m-20 67.04 14.65 9.91 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.899 -179.467 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.05 -39.81 2.65 Favored Glycine 0 N--CA 1.45 -0.417 0 CA-C-N 116.091 -0.504 . . . . 10.0 112.544 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -75.79 137.69 40.7 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.823 0.344 . . . . 10.0 111.704 -179.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 1.3 m -75.33 121.51 22.33 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.568 -0.901 . . . . 10.0 108.568 179.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -130.07 143.93 51.06 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.06 0.457 . . . . 10.0 112.068 -178.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 50.8 tp -97.74 112.58 24.41 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.677 -0.86 . . . . 10.0 108.677 178.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . 0.662 HD11 HD11 ' C' ' 46' ' ' ILE . 23.5 mt -94.42 124.5 38.48 Favored 'General case' 0 C--N 1.313 -1.017 0 N-CA-C 112.399 0.518 . . . . 10.0 112.399 -178.294 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -105.69 93.22 4.53 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.976 -1.12 . . . . 10.0 107.976 178.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 55' ' ' ILE . . . . . 0.43 ' HA ' ' O ' ' C' ' 6' ' ' LEU . 0.5 OUTLIER -91.11 146.83 5.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.216 -0.447 . . . . 10.0 111.922 -178.452 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 60.7 tp -133.51 121.17 21.78 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 115.677 -0.692 . . . . 10.0 111.072 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 57' ' ' ASP . . . . . 0.452 ' OD2' ' O3G' ' C' ' 201' ' ' GSP . 34.3 t70 -93.3 109.13 20.67 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.551 -0.75 . . . . 10.0 109.377 179.239 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 72.7 p -97.9 156.45 16.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.344 -0.389 . . . . 10.0 111.485 -178.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -82.18 128.72 34.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.198 -0.455 . . . . 10.0 110.811 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -99.41 32.21 7.43 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.754 -0.736 . . . . 10.0 112.18 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -89.94 12.3 17.88 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.563 0.22 . . . . 10.0 111.417 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 62' ' ' GLU . . . . . 0.629 ' HG3' ' H ' ' C' ' 63' ' ' GLU . 3.3 tp10 63.76 -160.54 0.3 Allowed 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.982 -0.554 . . . . 10.0 111.495 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 63' ' ' GLU . . . . . 0.629 ' H ' ' HG3' ' C' ' 62' ' ' GLU . 2.8 tt0 73.76 -49.32 0.68 Allowed 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 123.639 0.776 . . . . 10.0 113.046 178.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 64' ' ' TYR . . . . . 0.501 ' HB3' ' HB2' ' C' ' 67' ' ' MET . 23.7 m-85 -73.97 76.85 1.68 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.362 0.504 . . . . 10.0 112.362 -178.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.03 -41.67 15.57 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.888 -0.597 . . . . 10.0 110.282 179.265 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.52 -38.24 41.09 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.057 -0.519 . . . . 10.0 110.682 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 67' ' ' MET . . . . . 0.501 ' HB2' ' HB3' ' C' ' 64' ' ' TYR . 92.0 mtp -70.21 -16.13 63.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.094 0.473 . . . . 10.0 110.727 179.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 68' ' ' ARG . . . . . 0.551 ' HA ' ' CZ ' ' C' ' 71' ' ' TYR . 2.2 ttp180 -76.88 -35.22 57.58 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.65 -0.704 . . . . 10.0 110.478 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 69' ' ' ASP . . . . . 0.422 ' OD1' HG22 ' C' ' 103' ' ' VAL . 0.4 OUTLIER -58.39 -39.68 80.29 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.666 -0.697 . . . . 10.0 111.705 -178.728 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -54.85 -60.31 3.54 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 113.294 0.85 . . . . 10.0 113.294 -178.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 71' ' ' TYR . . . . . 0.551 ' CZ ' ' HA ' ' C' ' 68' ' ' ARG . 3.6 p90 -75.22 -21.48 58.61 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.263 0.838 . . . . 10.0 113.263 -178.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 72' ' ' MET . . . . . 0.916 ' HA ' ' HZ ' ' C' ' 78' ' ' PHE . 31.7 mtt -66.89 -38.84 87.03 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.12 0.486 . . . . 10.0 111.223 179.753 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 23.5 ttm105 -76.31 -24.82 54.36 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 6.4 m -86.12 -22.12 27.26 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.606 -179.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -72.22 141.12 30.8 Favored Glycine 0 C--O 1.239 0.428 0 C-N-CA 120.757 -0.735 . . . . 10.0 114.048 -178.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -95.84 -35.38 11.52 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 109.415 -0.587 . . . . 10.0 109.415 178.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -139.5 142.77 13.09 Favored Glycine 0 N--CA 1.445 -0.751 0 N-CA-C 110.498 -1.041 . . . . 10.0 110.498 179.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 78' ' ' PHE . . . . . 0.916 ' HZ ' ' HA ' ' C' ' 72' ' ' MET . 38.6 m-85 -120.23 125.25 47.68 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.258 0.551 . . . . 10.0 112.125 -179.04 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . 0.467 HD13 HD22 ' C' ' 159' ' ' LEU . 12.0 tp -96.16 106.25 18.42 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.451 -0.795 . . . . 10.0 109.907 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 80' ' ' CYS . . . . . 0.405 ' HB3' HG23 ' C' ' 93' ' ' ILE . 3.9 m -81.67 93.21 6.72 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.114 -0.493 . . . . 10.0 109.685 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 59.6 t -99.59 126.75 52.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.321 -0.399 . . . . 10.0 111.558 -178.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -134.4 168.04 19.64 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.301 -0.629 . . . . 10.0 109.301 178.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 83' ' ' ALA . . . . . 0.407 ' HB3' ' HB3' ' C' ' 86' ' ' ASN . . . -104.37 127.27 52.01 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 110.038 -0.356 . . . . 10.0 110.038 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 84' ' ' ILE . . . . . 0.552 HD12 ' HB3' ' C' ' 123' ' ' ARG . 17.5 pt -64.13 -19.57 25.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.474 -0.33 . . . . 10.0 111.681 -179.664 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 -97.38 6.01 48.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.414 -0.357 . . . . 10.0 110.94 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 86' ' ' ASN . . . . . 0.407 ' HB3' ' HB3' ' C' ' 83' ' ' ALA . 22.9 t-20 -133.77 98.9 4.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.066 0.46 . . . . 10.0 110.792 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.25 -37.17 74.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.679 -0.692 . . . . 10.0 112.219 -179.28 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -56.22 -48.59 76.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.888 0.375 . . . . 10.0 111.372 -179.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 84.4 p -61.48 -31.48 71.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.283 -0.417 . . . . 10.0 111.832 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -68.02 -45.34 74.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.704 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -70.32 -33.39 71.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.964 -0.562 . . . . 10.0 111.274 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.06 -25.48 65.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.717 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 93' ' ' ILE . . . . . 0.405 HG23 ' HB3' ' C' ' 80' ' ' CYS . 50.2 mm -61.77 -32.17 53.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.986 179.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -65.99 -41.47 91.06 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.548 -0.538 . . . . 10.0 109.548 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -61.42 -41.1 96.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.6 -0.727 . . . . 10.0 110.021 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -67.25 -43.13 82.66 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.75 -0.659 . . . . 10.0 110.943 179.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -54.91 -48.54 72.93 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-O 120.744 0.307 . . . . 10.0 111.812 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -68.07 -39.56 82.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.415 -0.357 . . . . 10.0 111.637 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 99' ' ' GLN . . . . . 0.566 ' O ' HG23 ' C' ' 103' ' ' VAL . 24.0 tt0 -62.57 -51.49 67.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.451 . . . . 10.0 111.154 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 76.2 mt -56.34 -44.02 78.69 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 CA-C-O 120.978 0.418 . . . . 10.0 110.985 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -62.09 -32.9 73.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.803 -0.635 . . . . 10.0 111.57 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 7.3 tmm_? -78.52 -37.37 43.22 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.609 -0.269 . . . . 10.0 110.979 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 103' ' ' VAL . . . . . 0.566 HG23 ' O ' ' C' ' 99' ' ' GLN . 98.3 t -62.22 -52.97 53.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.29 -0.414 . . . . 10.0 111.498 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -86.15 -5.5 59.19 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.555 -0.293 . . . . 10.0 111.579 -179.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 36.6 t70 51.64 63.37 2.27 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.536 -0.756 . . . . 10.0 111.803 -178.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 63.4 m -156.89 142.14 17.31 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.524 -0.762 . . . . 10.0 109.715 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -84.93 -20.17 31.08 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.09 0.471 . . . . 10.0 110.547 179.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -112.35 96.53 6.06 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.821 -179.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -122.71 130.63 24.56 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 115.742 -0.663 . . . . 10.0 109.345 179.664 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -56.53 105.13 0.16 Allowed 'Trans proline' 0 C--O 1.235 0.362 0 C-N-CA 122.988 2.459 . . . . 10.0 112.364 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 111' ' ' MET . . . . . . . . . . . . . 65.7 mtt -130.97 149.49 52.57 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.967 -0.56 . . . . 10.0 110.42 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 112' ' ' VAL . . . . . 0.419 ' HB ' HD12 ' C' ' 79' ' ' LEU . 77.0 t -135.79 125.3 40.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 108.93 -0.767 . . . . 10.0 108.93 178.264 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 16.1 tp -84.37 119.24 24.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.898 0.38 . . . . 10.0 110.201 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 65.2 t -120.3 121.74 66.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.107 0.479 . . . . 10.0 111.358 -178.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -100.65 102.26 2.42 Favored Glycine 0 N--CA 1.448 -0.536 0 N-CA-C 110.775 -0.93 . . . . 10.0 110.775 178.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -87.65 168.92 12.59 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.81 0.338 . . . . 10.0 111.672 -178.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 82.2 mttt 67.72 31.66 5.82 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 115.41 -0.814 . . . . 10.0 111.623 179.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 118' ' ' CYS . . . . . 0.55 ' HA ' ' CD1' ' C' ' 84' ' ' ILE . 58.5 m -71.33 -1.26 12.28 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 112.375 0.509 . . . . 10.0 112.375 -179.589 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -89.22 -25.42 21.76 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.5 -0.555 . . . . 10.0 109.5 178.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 61.1 mt -70.85 126.69 92.18 Favored Pre-proline 0 N--CA 1.449 -0.486 0 CA-C-N 115.848 -0.615 . . . . 10.0 110.577 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -75.26 158.65 41.08 Favored 'Trans proline' 0 CA--C 1.529 0.235 0 C-N-CA 122.942 2.428 . . . . 10.0 111.992 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 12.8 m 64.26 66.09 0.64 Allowed 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.756 0.789 . . . . 10.0 111.934 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 123' ' ' ARG . . . . . 0.552 ' HB3' HD12 ' C' ' 84' ' ' ILE . 16.3 ptp180 -79.29 151.27 31.19 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.254 -0.885 . . . . 10.0 111.034 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.74 -37.9 12.1 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.47 -0.332 . . . . 10.0 110.509 178.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 58.0 t -98.24 121.04 48.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 109.788 -0.449 . . . . 10.0 109.788 179.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 126' ' ' ASP . . . . . 0.512 ' OD1' ' HG2' ' C' ' 128' ' ' LYS . 9.8 t70 -77.44 152.18 34.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.575 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 5.9 m -60.55 -43.51 97.13 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.165 -0.471 . . . . 10.0 110.975 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 128' ' ' LYS . . . . . 0.512 ' HG2' ' OD1' ' C' ' 126' ' ' ASP . 15.3 ptpt -63.78 -46.0 87.2 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.708 0.633 . . . . 10.0 112.708 -178.437 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -65.76 -31.71 72.84 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 120.772 -0.371 . . . . 10.0 111.058 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -75.35 -42.3 54.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.305 0.574 . . . . 10.0 109.982 179.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -66.05 -36.07 82.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.78 -0.645 . . . . 10.0 110.647 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -60.06 -40.2 88.65 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.389 0.614 . . . . 10.0 109.984 178.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 20.1 tp -66.69 -37.83 85.53 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.655 -0.702 . . . . 10.0 110.335 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.25 -34.13 77.31 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.802 -0.636 . . . . 10.0 109.801 178.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 3.8 tmm_? -60.79 -44.18 97.14 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.517 -0.765 . . . . 10.0 110.441 179.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 12.1 m -64.74 -31.77 73.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.07 -0.514 . . . . 10.0 111.726 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 13.7 m-30 -83.8 -24.64 30.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.133 0.492 . . . . 10.0 110.509 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 85.45 21.91 52.71 Favored Glycine 0 N--CA 1.444 -0.77 0 N-CA-C 111.224 -0.75 . . . . 10.0 111.224 -178.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 45.3 pt -113.98 158.69 38.63 Favored Pre-proline 0 C--N 1.327 -0.4 0 N-CA-C 110.214 -0.291 . . . . 10.0 110.214 -179.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -84.86 152.45 11.32 Favored 'Trans proline' 0 N--CA 1.462 -0.367 0 C-N-CA 122.971 2.447 . . . . 10.0 112.22 -179.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -122.65 134.17 54.5 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.389 -0.597 . . . . 10.0 109.389 179.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 65.9 mt -133.93 131.88 56.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.743 0.306 . . . . 10.0 110.596 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 143' ' ' GLU . . . . . 0.541 ' HB3' ' SG ' ' C' ' 118' ' ' CYS . 55.0 mt-10 -86.77 128.68 35.03 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.758 -0.83 . . . . 10.0 108.758 178.632 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 144' ' ' THR . . . . . 0.454 HG22 ' HA3' ' C' ' 151' ' ' GLY . 61.1 p -131.25 174.09 10.4 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.744 0.783 . . . . 10.0 112.255 -178.363 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 11.2 t -162.64 114.76 1.61 Allowed 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 114.675 -1.148 . . . . 10.0 108.347 178.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 146' ' ' ALA . . . . . 0.436 ' N ' ' O6 ' ' C' ' 201' ' ' GSP . . . -66.56 -28.22 68.36 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.659 -179.32 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 147' ' ' LYS . . . . . 0.572 ' HB2' ' N1 ' ' C' ' 201' ' ' GSP . 67.9 tttt -59.31 -33.05 70.64 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.999 -0.546 . . . . 10.0 111.811 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -120.72 8.19 10.58 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 111.914 0.339 . . . . 10.0 111.914 -179.255 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 55.81 14.14 1.25 Allowed 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 113.576 0.954 . . . . 10.0 113.576 179.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -76.02 133.59 40.35 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.388 -0.369 . . . . 10.0 111.328 -179.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 151' ' ' GLY . . . . . 0.454 ' HA3' HG22 ' C' ' 144' ' ' THR . . . 81.01 -17.4 11.78 Favored Glycine 0 C--N 1.332 0.335 0 CA-C-N 115.987 -0.551 . . . . 10.0 113.635 179.206 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 152' ' ' VAL . . . . . 0.419 HG22 HD22 ' C' ' 19' ' ' LEU . 96.2 t -53.91 -50.25 54.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.904 0.383 . . . . 10.0 111.813 -178.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -59.37 -58.5 8.34 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.101 -0.499 . . . . 10.0 111.526 -179.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -57.76 -36.5 72.2 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.715 0.635 . . . . 10.0 112.715 -178.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -56.13 -50.65 70.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.641 0.258 . . . . 10.0 111.368 179.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -73.17 -35.26 66.39 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.379 -0.373 . . . . 10.0 111.13 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 4.3 m-30 -63.14 -49.12 75.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.404 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 40.3 m -63.09 -37.52 87.54 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.387 179.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 159' ' ' LEU . . . . . 0.467 HD22 HD13 ' C' ' 79' ' ' LEU . 45.0 tp -55.42 -47.88 75.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.528 179.597 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 160' ' ' VAL . . . . . 0.416 ' HA ' HD12 ' C' ' 163' ' ' ILE . 79.3 t -70.14 -41.26 78.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.577 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 161' ' ' ARG . . . . . 0.547 ' CG ' ' HD3' ' B' ' 135' ' ' ARG . 20.1 ttp-105 -59.86 -41.31 91.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.637 -0.71 . . . . 10.0 111.963 -179.537 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -62.19 -35.55 79.17 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.893 0.377 . . . . 10.0 111.249 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 163' ' ' ILE . . . . . 0.433 HG13 ' O ' ' C' ' 159' ' ' LEU . 54.8 mt -62.21 -43.56 98.06 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 N-CA-C 108.932 -0.766 . . . . 10.0 108.932 178.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -63.27 -40.89 98.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.236 -0.893 . . . . 10.0 109.875 179.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -61.89 -45.42 93.82 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.737 -0.665 . . . . 10.0 110.771 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 29.1 t-80 -61.05 -50.98 71.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.906 -0.588 . . . . 10.0 111.18 -179.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -62.06 -29.86 70.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.126 -0.488 . . . . 10.0 111.708 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -75.1 -43.6 51.95 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.878 -0.601 . . . . 10.0 109.915 179.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 7.8 tmtm? -67.11 -30.74 70.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.685 -0.689 . . . . 10.0 110.62 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 70.1 mmm -69.97 -21.75 63.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.864 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 9.9 m -73.31 -20.11 60.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.36 0.6 . . . . 10.0 110.593 179.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt -103.97 -48.63 3.84 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.633 -0.712 . . . . 10.0 109.396 179.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 173' ' ' ASP . . . . . . . . . . . . . 32.0 t70 69.39 -51.2 0.61 Allowed 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 115.382 -0.827 . . . . 10.0 112.786 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . 163.84 -9.94 0.08 OUTLIER Glycine 0 N--CA 1.449 -0.481 0 N-CA-C 111.673 -0.571 . . . . 10.0 111.673 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 175' ' ' LYS . . . . . . . . . . . . . 2.4 mptt -122.48 -175.32 3.11 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 109.887 -0.412 . . . . 10.0 109.887 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 176' ' ' LYS . . . . . . . . . . . . . 97.1 mttt 72.61 -51.85 0.7 Allowed 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 113.285 0.846 . . . . 10.0 113.285 178.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 177' ' ' LYS . . . . . 0.5 ' HB3' ' H ' ' C' ' 178' ' ' LYS . 28.7 mttm -102.6 -151.74 0.43 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.475 0.179 . . . . 10.0 110.702 179.58 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 178' ' ' LYS . . . . . 0.5 ' H ' ' HB3' ' C' ' 177' ' ' LYS . 23.9 ttmt 71.12 85.69 0.13 Allowed 'General case' 0 N--CA 1.463 0.213 0 O-C-N 123.94 0.775 . . . . 10.0 111.613 179.04 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 179' ' ' LYS . . . . . . . . . . . . . 19.2 mmtm -119.21 174.74 6.16 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.625 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 180' ' ' LYS . . . . . . . . . . . . . 9.2 mptt -83.96 163.13 20.17 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.515 -0.311 . . . . 10.0 110.766 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 5.2 t -98.46 -44.29 6.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.353 -0.385 . . . . 10.0 110.368 179.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 182' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -132.72 107.06 8.14 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.37 179.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 183' ' ' THR . . . . . 0.589 HG22 ' H41' ' C' ' 211' ' ' PCW . 0.6 OUTLIER -99.32 -162.65 0.97 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.987 -179.331 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 184' ' ' LYS . . . . . 0.622 ' H ' ' C7 ' ' C' ' 211' ' ' PCW . 37.1 mttp . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.487 -0.324 . . . . 10.0 110.205 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 401' ' ' PCW . . . . . 0.931 ' H62' ' C1 ' ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 402' ' ' PCW . . . . . 1.097 H421 H132 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 403' ' ' PCW . . . . . 1.171 ' C31' H362 ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 404' ' ' PCW . . . . . 1.167 ' C16' H421 ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 405' ' ' PCW . . . . . 1.125 H361 H441 ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 406' ' ' PCW . . . . . 1.025 H341 H321 ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 407' ' ' PCW . . . . . 1.059 H212 ' C17' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 408' ' ' PCW . . . . . 1.117 H242 H231 ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 409' ' ' PCW . . . . . 1.207 ' C19' H142 ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 410' ' ' PCW . . . . . 1.013 ' C37' H321 ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 411' ' ' PCW . . . . . 1.125 H441 H361 ' A' ' 405' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 412' ' ' PCW . . . . . 0.71 H271 HG21 ' A' ' 250' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 413' ' ' PCW . . . . . 1.059 ' H32' ' H42' ' A' ' 408' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 414' ' ' PCW . . . . . 1.017 H372 ' H69' ' A' ' 415' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 415' ' ' 17F . . . . . 1.017 ' H69' H372 ' A' ' 414' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 416' ' ' 17F . . . . . 0.728 ' H1 ' ' HE2' ' B' ' 182' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 417' ' ' PCW . . . . . 1.068 H411 H152 ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 418' ' ' PCW . . . . . 0.976 H431 H172 ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 419' ' ' PCW . . . . . 1.079 ' O1P' ' H41' ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 420' ' ' PCW . . . . . 1.009 H431 ' H19' ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 421' ' ' PCW . . . . . 1.053 ' O2P' ' H42' ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 422' ' ' 17F . . . . . 1.022 ' H6 ' ' C14' ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 601' ' ' PCW . . . . . 1.01 H421 H461 ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 602' ' ' PCW . . . . . 1.068 H483 ' H43' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 603' ' ' PCW . . . . . 1.062 ' H41' ' H2 ' ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 604' ' ' PCW . . . . . 1.028 H461 H282 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 605' ' ' PCW . . . . . 1.092 H182 H362 ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 606' ' ' PCW . . . . . 1.098 ' H61' H281 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 607' ' ' PCW . . . . . 0.961 H431 H471 ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 608' ' ' PCW . . . . . 0.983 H282 ' H65' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 609' ' ' PCW . . . . . 1.101 H483 H472 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 610' ' ' PCW . . . . . 0.9 ' H42' ' O8 ' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 611' ' ' PCW . . . . . 1.025 H212 H271 ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 612' ' ' PCW . . . . . 1.023 H162 ' H19' ' D' ' 620' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 613' ' ' PCW . . . . . 1.042 H212 H172 ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 614' ' ' PCW . . . . . 1.092 H362 H182 ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 615' ' ' PCW . . . . . 1.079 ' H41' ' O1P' ' A' ' 419' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 616' ' ' PCW . . . . . 0.936 H452 H241 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 617' ' ' PCW . . . . . 1.082 H371 H142 ' D' ' 619' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 618' ' ' PCW . . . . . 1.068 H152 H411 ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 619' ' ' PCW . . . . . 1.135 H381 H161 ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 620' ' ' PCW . . . . . 1.023 ' H19' H162 ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 621' ' ' PCW . . . . . 1.12 H372 H412 ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 622' ' ' PCW . . . . . 1.022 ' C14' ' H6 ' ' A' ' 422' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 623' ' ' PCW . . . . . 1.099 H322 ' C36' ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 624' ' ' PCW . . . . . 1.065 H471 ' H55' ' B' ' 209' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 625' ' ' PCW . . . . . 1.016 H261 H421 ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 626' ' ' PCW . . . . . 1.098 H281 ' H61' ' D' ' 606' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 627' ' ' PCW . . . . . 1.135 H161 H381 ' D' ' 619' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 628' ' ' 17F . . . . . 1.082 ' H57' H19A ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 629' ' ' 17F . . . . . 1.068 ' H43' H483 ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 630' ' ' 17F . . . . . 1.041 ' H57' H162 ' A' ' 421' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 631' ' ' 17F . . . . . 0.983 ' H5 ' ' H19' ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 632' ' ' 17F . . . . . 0.9 ' O9 ' H141 ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 201' ' ' GSP . . . . . 0.617 ' O3G' 'MG ' ' B' ' 202' ' ' ' MG' . . . . . . . . 0 O4'--C1' 1.438 1.976 2 O4'-C1'-N19 113.15 4.95 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 202' ' ' ' MG' . . . . . 0.617 'MG ' ' O3G' ' B' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 203' ' ' PCW . . . . . 1.025 H461 ' H73' ' C' ' 215' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 204' ' ' PCW . . . . . 1.104 H422 H431 ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 205' ' ' PCW . . . . . 1.025 H321 H341 ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 206' ' ' PCW . . . . . 0.964 H231 H171 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 207' ' ' PCW . . . . . 1.104 H431 H422 ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 208' ' ' PCW . . . . . 1.025 ' H31' H432 ' C' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 209' ' ' 17F . . . . . 1.065 ' H55' H471 ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 210' ' ' 17F . . . . . 0.991 ' H78' H441 ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 211' ' ' 17F . . . . . 0.942 ' H49' H242 ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 201' ' ' GSP . . . . . 0.762 H5'2 ' HD1' ' C' ' 32' ' ' TYR . . . . . . . . 0 O4'--C1' 1.436 1.837 2 O4'-C1'-N19 113.328 5.128 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 202' ' ' ' MG' . . . . . 0.619 'MG ' ' O3G' ' C' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 203' ' ' PCW . . . . . 1.088 H132 H171 ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 204' ' ' PCW . . . . . 0.994 H461 H421 ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 205' ' ' PCW . . . . . 1.039 ' H11' H152 ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 206' ' ' PCW . . . . . 1.013 ' H63' H321 ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 207' ' ' PCW . . . . . 1.021 H322 ' H63' ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 208' ' ' PCW . . . . . 1.101 H472 H483 ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 209' ' ' PCW . . . . . 1.041 H262 H222 ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 210' ' ' PCW . . . . . 1.097 H371 H121 ' C' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 211' ' ' PCW . . . . . 1.025 H432 ' H31' ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 212' ' ' PCW . . . . . 1.113 H241 ' H20' ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 213' ' ' 17F . . . . . 0.909 ' O8 ' ' H62' ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 214' ' ' 17F . . . . . 0.989 H11A H162 ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 215' ' ' 17F . . . . . 1.025 ' H73' H461 ' B' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 216' ' ' PCW . . . . . 1.015 H241 H282 ' C' ' 216' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 217' ' ' PCW . . . . . 1.096 ' C35' ' H20' ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 218' ' ' 17F . . . . . 1.078 ' H43' ' H69' ' C' ' 219' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 219' ' ' 17F . . . . . 1.078 ' H69' ' H43' ' C' ' 218' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 94.9 mt . . . . . 0 N--CA 1.455 -0.197 0 CA-C-O 120.837 0.351 . . . . 10.0 110.613 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -58.56 -50.39 73.95 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.808 -0.633 . . . . 10.0 111.378 -179.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 58.7 mt -70.64 -28.74 65.04 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.303 -0.408 . . . . 10.0 111.108 -179.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 89.5 mt -71.64 -48.81 45.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.15 -0.477 . . . . 10.0 110.675 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -61.62 -41.47 97.52 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.638 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 206' ' ' ASN . . . . . 0.463 ' O ' HG23 ' A' ' 210' ' ' VAL . 8.7 m120 -69.2 -35.02 75.79 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 116.115 -0.493 . . . . 10.0 111.228 179.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 9.3 t90 -63.43 -32.33 73.74 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.129 0.49 . . . . 10.0 110.517 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -63.61 -39.38 94.23 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.743 -0.662 . . . . 10.0 109.892 178.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.04 -31.49 72.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.309 0.576 . . . . 10.0 110.482 179.508 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 210' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 206' ' ' ASN . 33.5 t -74.59 -47.21 40.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.789 -0.641 . . . . 10.0 109.758 178.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 46.7 m -60.44 -43.45 96.82 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.69 -0.687 . . . . 10.0 111.728 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 4.0 p -61.8 -37.35 84.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.965 0.412 . . . . 10.0 110.5 179.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 53.1 m -65.98 -43.66 87.2 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.489 -0.56 . . . . 10.0 109.489 178.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -60.8 -44.07 97.34 Favored 'General case' 0 C--N 1.334 -0.095 0 CA-C-N 115.892 -0.595 . . . . 10.0 110.961 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 46.8 m -63.03 -46.31 88.17 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.318 -0.401 . . . . 10.0 111.072 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 22.7 mttt -65.32 -32.07 73.53 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.002 0.429 . . . . 10.0 110.374 178.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 217' ' ' LEU . . . . . 0.53 ' O ' ' HG ' ' A' ' 221' ' ' LEU . 19.3 mt -68.86 -45.44 71.04 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 108.975 -0.75 . . . . 10.0 108.975 177.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 218' ' ' ARG . . . . . 0.585 ' HA ' HD12 ' A' ' 221' ' ' LEU . 43.4 mtt180 -62.79 -37.21 85.77 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.737 179.347 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -64.67 -27.34 68.86 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.938 0.399 . . . . 10.0 110.614 178.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -90.08 -28.65 18.87 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.335 179.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 221' ' ' LEU . . . . . 0.585 HD12 ' HA ' ' A' ' 218' ' ' ARG . 66.0 mt -56.75 -37.36 70.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.725 -0.67 . . . . 10.0 111.219 179.597 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 222' ' ' GLY . . . . . 0.444 ' O ' ' HG3' ' A' ' 226' ' ' GLN . . . -56.12 -66.54 2.77 Favored Glycine 0 C--N 1.332 0.308 0 N-CA-C 111.51 -0.636 . . . . 10.0 111.51 178.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_exo -53.72 -42.99 61.77 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.466 2.111 . . . . 10.0 111.439 178.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 40.3 t -57.68 -52.4 58.04 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.177 0 CA-C-N 116.566 -0.288 . . . . 10.0 111.771 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . 0.454 ' O ' ' HB2' ' A' ' 229' ' ' TRP . 15.5 p -61.38 -44.14 97.67 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 121.21 -0.196 . . . . 10.0 111.246 -179.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 226' ' ' GLN . . . . . 0.444 ' HG3' ' O ' ' A' ' 222' ' ' GLY . 23.4 mt-30 -62.04 -47.91 82.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.465 -0.334 . . . . 10.0 111.637 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -70.11 -39.1 75.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.539 -0.3 . . . . 10.0 110.918 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 21.3 t80 -65.63 -42.71 91.19 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.991 -0.374 . . . . 10.0 109.991 179.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 229' ' ' TRP . . . . . 0.454 ' HB2' ' O ' ' A' ' 225' ' ' THR . 0.0 OUTLIER -64.29 -36.19 83.3 Favored 'General case' 0 CA--C 1.521 -0.153 0 N-CA-C 109.677 -0.49 . . . . 10.0 109.677 178.741 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.86 -43.7 95.33 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.133 -0.692 . . . . 10.0 109.133 178.246 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 231' ' ' ASN . . . . . 0.942 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 55.6 m-20 -68.1 -31.47 71.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.468 -0.787 . . . . 10.0 109.84 178.675 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 57.9 mt -70.92 -42.36 69.98 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 108.992 -0.744 . . . . 10.0 108.992 178.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -61.42 -34.37 75.27 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.411 178.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 234' ' ' LYS . . . . . 0.942 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 48.5 mttt -63.77 -47.48 80.8 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 108.873 -0.788 . . . . 10.0 108.873 177.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.72 -43.27 99.23 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.403 -0.817 . . . . 10.0 109.913 179.193 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 3.9 m -68.46 -34.62 76.26 Favored 'General case' 0 C--O 1.224 -0.275 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.048 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -61.56 -46.5 89.64 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 108.615 -0.883 . . . . 10.0 108.615 178.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -61.83 -42.9 99.8 Favored Glycine 0 N--CA 1.444 -0.768 0 N-CA-C 110.175 -1.17 . . . . 10.0 110.175 178.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 239' ' ' LEU . . . . . 0.493 ' HA ' ' HB2' ' A' ' 242' ' ' GLU . 43.1 mt -66.04 -29.55 69.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.769 -0.215 . . . . 10.0 111.172 178.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 57.6 mtt180 -70.14 -40.34 74.85 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.17 -0.678 . . . . 10.0 109.17 178.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -71.46 -35.03 70.74 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.577 -0.897 . . . . 10.0 108.577 177.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 242' ' ' GLU . . . . . 0.493 ' HB2' ' HA ' ' A' ' 239' ' ' LEU . 6.6 mt-10 -67.54 -38.19 83.83 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-N 115.196 -0.911 . . . . 10.0 109.506 178.138 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 243' ' ' MET . . . . . 0.632 ' HG3' HD12 ' A' ' 247' ' ' LEU . 43.1 ttm -61.01 -33.72 73.7 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.353 0.597 . . . . 10.0 109.821 179.304 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 4.5 m -76.83 6.56 5.92 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.76 -0.655 . . . . 10.0 110.922 179.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 38.5 mttm -130.78 -59.04 1.02 Allowed 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.096 179.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 246' ' ' ASP . . . . . 0.55 ' HB2' ' HD3' ' D' ' 528' ' ' ARG . 16.0 t70 -56.06 -54.19 47.99 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.927 -0.579 . . . . 10.0 111.052 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 247' ' ' LEU . . . . . 0.632 HD12 ' HG3' ' A' ' 243' ' ' MET . 6.7 mt -75.17 -35.5 61.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.149 -0.478 . . . . 10.0 111.415 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -64.65 -48.02 76.35 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.512 -0.313 . . . . 10.0 111.262 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -66.29 -40.09 89.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.101 -0.499 . . . . 10.0 110.038 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 250' ' ' VAL . . . . . 0.782 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 1.9 p -66.19 -35.48 75.1 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.447 0 C-N-CA 120.831 -0.347 . . . . 10.0 110.981 179.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -74.55 -36.13 63.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.13 0.49 . . . . 10.0 110.976 179.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 252' ' ' ALA . . . . . 0.412 ' HA ' ' NE2' ' A' ' 255' ' ' GLN . . . -74.98 -42.73 57.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.694 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 70.0 mttt -79.54 -23.25 42.98 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.363 0.505 . . . . 10.0 112.363 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 254' ' ' VAL . . . . . 0.782 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.8 OUTLIER -60.08 -27.19 38.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.957 -0.297 . . . . 10.0 110.931 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 255' ' ' GLN . . . . . 0.582 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 24.8 mt-30 -63.84 -65.08 2.25 Favored Pre-proline 0 N--CA 1.452 -0.35 0 CA-C-N 116.11 -0.496 . . . . 10.0 111.301 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 256' ' ' PRO . . . . . 0.582 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 32.6 Cg_endo -65.81 -30.06 49.93 Favored 'Trans proline' 0 C--N 1.358 1.042 0 C-N-CA 121.809 1.672 . . . . 10.0 112.103 179.48 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 6.2 m-30 -67.24 -53.77 27.02 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.756 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 19.4 mt -70.07 -33.35 71.81 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 116.426 -0.352 . . . . 10.0 110.51 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 259' ' ' ASP . . . . . 0.559 ' O ' ' HB2' ' A' ' 263' ' ' LYS . 15.6 t70 -60.79 -40.21 91.77 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.655 -0.498 . . . . 10.0 109.655 178.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -70.45 -43.92 68.89 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.448 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -63.56 -48.85 75.77 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.244 179.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -63.43 -37.82 88.75 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.764 -0.653 . . . . 10.0 110.27 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 263' ' ' LYS . . . . . 0.559 ' HB2' ' O ' ' A' ' 259' ' ' ASP . 26.5 ttmt -61.16 -46.61 89.83 Favored 'General case' 0 CA--C 1.519 -0.227 0 N-CA-C 109.585 -0.524 . . . . 10.0 109.585 178.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 264' ' ' LYS . . . . . 0.847 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 54.3 mttt -64.56 -41.23 96.45 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.816 -0.629 . . . . 10.0 109.808 178.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 16.8 m95 -62.9 -35.61 80.63 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.06 178.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 266' ' ' GLN . . . . . 0.427 ' O ' ' HG2' ' A' ' 270' ' ' GLU . 45.4 mt-30 -61.79 -47.45 85.11 Favored 'General case' 0 C--O 1.233 0.237 0 N-CA-C 108.822 -0.807 . . . . 10.0 108.822 178.159 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -63.06 -43.49 98.48 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 115.831 -0.622 . . . . 10.0 109.474 178.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 268' ' ' GLU . . . . . 0.459 ' HG3' ' O ' ' A' ' 264' ' ' LYS . 26.7 mt-10 -58.36 -43.6 88.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.751 -0.659 . . . . 10.0 110.406 179.057 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 56.4 mmm -63.66 -43.02 97.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.785 -0.643 . . . . 10.0 109.691 178.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 270' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 266' ' ' GLN . 6.3 mm-40 -63.85 -47.02 82.4 Favored 'General case' 0 C--O 1.224 -0.256 0 CA-C-N 116.084 -0.507 . . . . 10.0 109.921 179.119 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 72.2 mt -59.43 -42.9 92.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.395 179.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 272' ' ' TYR . . . . . 0.426 ' HD1' ' HA ' ' A' ' 272' ' ' TYR . 0.7 OUTLIER -67.84 -36.05 79.66 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.848 179.457 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 273' ' ' ARG . . . . . 0.457 ' HA ' HG12 ' A' ' 276' ' ' VAL . 69.9 mtt180 -72.55 -35.44 68.03 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.921 0.391 . . . . 10.0 110.712 179.265 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -75.01 -20.16 59.75 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.248 179.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 275' ' ' LYS . . . . . 0.642 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 8.2 mptt -95.57 -41.43 8.94 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.735 -0.666 . . . . 10.0 111.347 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 276' ' ' VAL . . . . . 0.457 HG12 ' HA ' ' A' ' 273' ' ' ARG . 7.8 p -55.96 -35.41 40.71 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.262 0 N-CA-C 112.86 0.689 . . . . 10.0 112.86 -178.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 277' ' ' GLU . . . . . 0.412 ' HB2' ' HD3' ' A' ' 278' ' ' PRO . 7.6 mt-10 -61.3 -63.01 4.82 Favored Pre-proline 0 CA--C 1.538 0.494 0 N-CA-C 112.379 0.511 . . . . 10.0 112.379 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 278' ' ' PRO . . . . . 0.465 ' O ' ' HG3' ' A' ' 282' ' ' GLU . 27.5 Cg_endo -64.51 -37.21 39.41 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 121.731 1.621 . . . . 10.0 112.146 179.051 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 279' ' ' LEU . . . . . 0.642 ' HG ' ' O ' ' A' ' 275' ' ' LYS . 19.0 mt -64.26 -46.58 83.13 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.864 -0.153 . . . . 10.0 111.242 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 31.7 ttm180 -64.87 -32.78 74.64 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.629 -0.508 . . . . 10.0 109.629 178.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -64.54 -45.78 85.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.97 -0.559 . . . . 10.0 109.543 178.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 282' ' ' GLU . . . . . 0.465 ' HG3' ' O ' ' A' ' 278' ' ' PRO . 90.1 mt-10 -65.11 -40.98 95.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.558 -0.746 . . . . 10.0 109.615 178.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 84.7 mt -67.27 -32.84 74.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.98 -0.554 . . . . 10.0 110.61 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 -72.48 -50.2 27.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 10.0 109.887 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -63.63 -43.32 97.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 10.0 109.695 178.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -61.12 -41.72 99.56 Favored Glycine 0 N--CA 1.445 -0.766 0 N-CA-C 110.522 -1.031 . . . . 10.0 110.522 178.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -63.9 -45.77 87.86 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 109.27 -0.641 . . . . 10.0 109.27 178.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 288' ' ' ARG . . . . . 0.724 ' O ' ' HB2' ' A' ' 292' ' ' HIS . 62.5 mtt180 -55.92 -47.95 76.57 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.648 179.413 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 7.5 tm0? -66.26 -53.04 41.62 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.897 0.332 . . . . 10.0 111.897 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 290' ' ' LYS . . . . . 0.45 ' O ' ' HG ' ' A' ' 294' ' ' LEU . 70.5 mttt -60.89 -47.0 88.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.389 -0.369 . . . . 10.0 111.976 -179.13 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 291' ' ' LEU . . . . . 0.427 HD23 HD12 ' A' ' 294' ' ' LEU . 97.0 mt -67.05 -31.46 71.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.503 -0.317 . . . . 10.0 110.418 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 292' ' ' HIS . . . . . 0.724 ' HB2' ' O ' ' A' ' 288' ' ' ARG . 1.0 OUTLIER -64.26 -45.05 89.78 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 109.436 -0.579 . . . . 10.0 109.436 179.07 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.99 -36.55 81.82 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.691 -0.686 . . . . 10.0 109.632 178.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 294' ' ' LEU . . . . . 0.455 ' O ' ' HG ' ' A' ' 298' ' ' LEU . 77.1 mt -67.54 -41.91 83.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.911 -0.586 . . . . 10.0 109.635 178.357 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -64.68 -36.08 83.13 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.593 -0.521 . . . . 10.0 109.593 178.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -67.2 -10.79 54.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.349 -0.841 . . . . 10.0 110.406 179.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . 0.401 ' HB3' HD12 ' A' ' 301' ' ' LEU . 22.9 mmtp -109.06 -32.46 7.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.179 178.411 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 298' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 294' ' ' LEU . 66.0 mt -61.08 -30.39 70.31 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.118 -0.492 . . . . 10.0 111.527 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 299' ' ' SER . . . . . 0.448 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 12.9 m -75.66 -63.01 0.7 Allowed Pre-proline 0 C--N 1.324 -0.511 0 CA-C-O 119.304 -0.379 . . . . 10.0 111.877 179.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 300' ' ' PRO . . . . . 0.448 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 32.2 Cg_endo -63.42 -53.11 1.56 Allowed 'Trans proline' 0 C--N 1.358 1.046 0 C-N-CA 121.884 1.723 . . . . 10.0 112.401 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 301' ' ' LEU . . . . . 0.623 ' HB3' ' HE3' ' D' ' 473' ' ' LYS . 85.0 mt -65.93 -28.12 68.69 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-O 120.866 0.365 . . . . 10.0 110.061 179.719 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 302' ' ' GLY . . . . . 0.49 ' O ' ' HG3' ' A' ' 306' ' ' ARG . . . -68.84 -55.58 10.88 Favored Glycine 0 N--CA 1.448 -0.516 0 N-CA-C 110.989 -0.844 . . . . 10.0 110.989 178.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -60.07 -40.17 88.57 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.417 -0.586 . . . . 10.0 109.417 178.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -59.18 -47.39 85.5 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.347 -0.842 . . . . 10.0 109.744 178.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 12.8 tpt -63.88 -42.65 97.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.282 178.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 306' ' ' ARG . . . . . 0.49 ' HG3' ' O ' ' A' ' 302' ' ' GLY . 77.5 mtt180 -60.04 -52.3 65.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.885 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 307' ' ' ASP . . . . . 0.768 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 5.4 t70 -63.33 -38.91 92.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.421 -0.354 . . . . 10.0 111.021 -179.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 308' ' ' ARG . . . . . 0.521 ' HG3' HD21 ' D' ' 469' ' ' LEU . 21.6 mmt180 -68.15 -36.82 80.27 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.458 -0.337 . . . . 10.0 110.109 178.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -64.97 -38.06 89.72 Favored 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 108.905 -0.776 . . . . 10.0 108.905 178.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 310' ' ' ARG . . . . . 0.768 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 90.6 mtt180 -59.32 -43.79 92.65 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.481 -0.781 . . . . 10.0 109.261 178.099 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -68.04 -40.6 82.84 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.96 -0.564 . . . . 10.0 109.912 179.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -56.61 -52.48 64.69 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.673 -0.694 . . . . 10.0 110.089 179.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 24.6 t -74.05 -29.74 26.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.749 -0.66 . . . . 10.0 111.423 -179.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -62.52 -47.81 82.27 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.906 0.384 . . . . 10.0 110.322 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -64.88 -37.64 88.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.789 -0.641 . . . . 10.0 109.688 178.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 316' ' ' LEU . . . . . 0.408 ' O ' ' HG ' ' A' ' 320' ' ' LEU . 52.5 mt -66.98 -42.76 84.55 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-N 115.68 -0.691 . . . . 10.0 110.421 179.062 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 317' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' ' 317' ' ' ARG . 23.2 ttm105 -64.1 -47.38 80.28 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.948 -0.39 . . . . 10.0 109.948 179.255 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 26.5 m -62.52 -29.17 70.36 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.25 179.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -82.85 -39.97 20.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.506 179.314 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 316' ' ' LEU . 32.4 mt -66.12 -31.29 72.07 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.322 0.49 . . . . 10.0 112.322 -179.564 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 321' ' ' ALA . . . . . 0.43 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -51.8 -60.99 4.87 Favored Pre-proline 0 CA--C 1.54 0.591 0 N-CA-C 112.169 0.433 . . . . 10.0 112.169 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . 0.479 ' O ' ' HG3' ' A' ' 326' ' ' GLU . 54.1 Cg_endo -71.74 -31.57 12.91 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 121.748 1.632 . . . . 10.0 111.254 178.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 10.1 m-30 -61.68 -50.13 73.73 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-N 116.691 -0.231 . . . . 10.0 110.742 179.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 27.3 p -64.59 -37.52 87.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.899 0.381 . . . . 10.0 110.337 179.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.41 -43.95 97.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 10.0 110.36 179.029 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . 0.479 ' HG3' ' O ' ' A' ' 322' ' ' PRO . 31.6 mt-10 -75.1 -27.12 59.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.27 179.091 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 23.5 mt -66.11 -34.18 77.48 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 108.369 -0.974 . . . . 10.0 108.369 177.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 62.9 mtt180 -68.74 -35.68 77.42 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 108.646 -0.872 . . . . 10.0 108.646 177.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -65.26 -42.05 93.63 Favored 'General case' 0 CA--C 1.521 -0.168 0 N-CA-C 108.574 -0.899 . . . . 10.0 108.574 177.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 330' ' ' ARG . . . . . 0.488 ' O ' ' HG2' ' A' ' 334' ' ' ARG . 79.2 mtt180 -60.39 -52.15 66.45 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.117 -0.947 . . . . 10.0 108.516 177.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 331' ' ' LEU . . . . . 0.575 ' O ' ' HG ' ' A' ' 335' ' ' LEU . 67.6 mt -55.57 -43.8 76.27 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 115.646 -0.707 . . . . 10.0 110.304 179.038 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -59.21 -50.72 72.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.018 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -59.8 -41.94 92.32 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.332 -0.395 . . . . 10.0 110.482 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 334' ' ' ARG . . . . . 0.488 ' HG2' ' O ' ' A' ' 330' ' ' ARG . 26.3 mmt180 -63.51 -50.12 70.85 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.777 -0.647 . . . . 10.0 109.748 179.23 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 335' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' A' ' 331' ' ' LEU . 73.2 mt -61.93 -39.29 91.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 10.0 111.394 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -62.23 -50.44 71.76 Favored 'General case' 0 CA--C 1.519 -0.223 0 N-CA-C 109.769 -0.456 . . . . 10.0 109.769 179.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -62.49 -42.78 99.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.035 -0.53 . . . . 10.0 109.922 179.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 338' ' ' LEU . . . . . 0.44 ' O ' ' HA3' ' A' ' 342' ' ' GLY . 84.6 mt -63.18 -24.37 67.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.71 -0.677 . . . . 10.0 111.928 179.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -88.03 -47.42 8.54 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.48 0.181 . . . . 10.0 110.829 179.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -63.28 -52.92 60.06 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.228 0.537 . . . . 10.0 109.99 178.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -71.92 -34.33 68.99 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.576 -0.738 . . . . 10.0 109.957 179.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 342' ' ' GLY . . . . . 0.44 ' HA3' ' O ' ' A' ' 338' ' ' LEU . . . -64.31 -42.5 97.75 Favored Glycine 0 N--CA 1.452 -0.291 0 CA-C-N 115.749 -0.659 . . . . 10.0 111.883 179.638 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -61.66 -40.98 99.5 Favored Glycine 0 N--CA 1.448 -0.56 0 N-CA-C 110.657 -0.977 . . . . 10.0 110.657 178.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -63.33 -42.83 99.0 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.426 -0.583 . . . . 10.0 109.426 178.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 59.0 mtm180 -64.74 -39.72 94.1 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.259 179.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 60.1 mt -62.41 -47.95 81.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.07 -0.513 . . . . 10.0 110.717 179.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.61 -45.86 90.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.032 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -63.32 -47.03 83.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.694 -0.684 . . . . 10.0 110.683 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -62.17 -34.96 77.4 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.007 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -67.02 -46.22 75.14 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.007 -0.542 . . . . 10.0 109.614 178.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -63.22 -44.48 95.14 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 115.801 -0.636 . . . . 10.0 110.295 179.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 12.9 mttm -63.28 -37.43 87.21 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.609 179.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -61.41 -44.71 96.66 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.669 -0.493 . . . . 10.0 109.669 179.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 1.5 m -65.05 -34.96 79.68 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.034 -0.53 . . . . 10.0 109.95 178.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -62.69 -45.65 91.81 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 109.283 -0.636 . . . . 10.0 109.283 178.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 356' ' ' HIS . . . . . 0.475 ' O ' ' HB2' ' A' ' 360' ' ' LEU . 61.9 m-70 -67.99 -35.84 79.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.457 -0.792 . . . . 10.0 110.031 179.451 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 59.3 mt -64.79 -41.92 95.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 10.0 111.074 179.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 46.6 m -61.38 -45.68 93.37 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.842 0.353 . . . . 10.0 110.806 179.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 1.1 p -73.53 -27.61 61.44 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-O 121.073 0.463 . . . . 10.0 109.877 179.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 360' ' ' LEU . . . . . 0.746 HD12 ' HD2' ' A' ' 363' ' ' LYS . 13.9 tp -68.58 -30.64 69.44 Favored 'General case' 0 C--O 1.224 -0.278 0 N-CA-C 109.098 -0.705 . . . . 10.0 109.098 178.352 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 51.0 m -65.99 -29.53 69.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.58 -0.736 . . . . 10.0 109.548 178.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -70.18 -20.87 63.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.551 0.691 . . . . 10.0 109.213 178.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 363' ' ' LYS . . . . . 0.746 ' HD2' HD12 ' A' ' 360' ' ' LEU . 90.1 mttt -91.22 -34.62 14.91 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.355 -0.839 . . . . 10.0 109.254 178.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 364' ' ' ALA . . . . . 0.5 ' HA ' HD12 ' A' ' 368' ' ' LEU . . . -74.49 -38.89 62.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.609 -0.723 . . . . 10.0 112.519 -179.206 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 365' ' ' LYS . . . . . 0.999 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 91.6 mttt -94.71 -76.49 0.03 OUTLIER Pre-proline 0 CA--C 1.536 0.429 0 N-CA-C 112.895 0.702 . . . . 10.0 112.895 -179.54 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 366' ' ' PRO . . . . . 0.999 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 31.3 Cg_exo -59.9 -53.15 3.43 Favored 'Trans proline' 0 C--N 1.359 1.104 0 C-N-CA 122.572 2.182 . . . . 10.0 113.72 -178.576 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 367' ' ' ALA . . . . . 0.721 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -59.37 -56.77 17.8 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.245 0.461 . . . . 10.0 112.245 -178.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 368' ' ' LEU . . . . . 0.5 HD12 ' HA ' ' A' ' 364' ' ' ALA . 13.0 mt -58.27 -40.07 80.88 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 112.147 0.425 . . . . 10.0 112.147 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.81 -51.11 71.14 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 123.139 0.274 . . . . 10.0 110.294 179.41 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -64.78 -31.64 72.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.334 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 371' ' ' LEU . . . . . 0.507 ' O ' ' HG ' ' A' ' 375' ' ' LEU . 42.1 mt -65.48 -44.67 86.38 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.968 -0.753 . . . . 10.0 108.968 178.262 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 372' ' ' ARG . . . . . 0.427 ' HG3' ' O ' ' A' ' 368' ' ' LEU . 58.7 mtt180 -63.59 -43.62 96.4 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.96 -0.564 . . . . 10.0 109.697 178.763 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -66.25 -26.46 67.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.387 -0.824 . . . . 10.0 111.084 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -86.9 -33.74 12.07 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 121.132 -0.556 . . . . 10.0 111.94 179.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 375' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 371' ' ' LEU . 73.5 mt -71.85 -37.18 70.28 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.684 0.253 . . . . 10.0 111.684 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 25.1 mt -50.47 -58.41 9.99 Favored Pre-proline 0 CA--C 1.537 0.476 0 N-CA-C 113.322 0.86 . . . . 10.0 113.322 -179.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -62.88 -26.65 74.58 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 122.068 1.845 . . . . 10.0 111.548 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 41.1 t -69.83 -46.78 73.09 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 N-CA-C 108.579 -0.897 . . . . 10.0 108.579 178.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 379' ' ' LEU . . . . . 0.507 ' O ' ' HG3' ' A' ' 383' ' ' LYS . 52.0 mt -63.16 -34.9 78.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.41 -0.814 . . . . 10.0 109.277 178.591 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -60.32 -48.4 81.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.677 -0.692 . . . . 10.0 109.894 178.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 1.2 p -66.55 -35.04 79.26 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 120.983 0.42 . . . . 10.0 109.932 179.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -64.82 -33.28 75.62 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-N 115.759 -0.655 . . . . 10.0 110.765 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 383' ' ' LYS . . . . . 0.507 ' HG3' ' O ' ' A' ' 379' ' ' LEU . 97.5 mttt -59.02 -43.48 91.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.086 0.47 . . . . 10.0 109.789 179.192 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 21.2 t -63.85 -41.57 92.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.757 -0.656 . . . . 10.0 109.538 179.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 4.2 m -65.1 -43.89 90.58 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.815 -0.629 . . . . 10.0 110.937 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 386' ' ' PHE . . . . . 0.676 ' HZ ' ' H76' ' A' ' 415' ' ' 17F . 6.2 m-85 -64.5 -49.7 70.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 10.0 111.095 179.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 387' ' ' LEU . . . . . 0.519 ' O ' ' HG3' ' A' ' 391' ' ' GLU . 95.3 mt -61.31 -44.68 96.8 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.056 -0.52 . . . . 10.0 112.365 -179.337 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 388' ' ' SER . . . . . 0.589 ' HB2' ' HE2' ' D' ' 594' ' ' LYS . 11.7 p -61.86 -40.79 96.6 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.61 -0.268 . . . . 10.0 111.058 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -60.51 -43.01 97.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.13 179.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 81.9 mt -59.31 -41.34 88.83 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.464 -0.789 . . . . 10.0 109.776 179.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 391' ' ' GLU . . . . . 0.519 ' HG3' ' O ' ' A' ' 387' ' ' LEU . 35.5 mt-10 -66.06 -45.63 80.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.559 -0.746 . . . . 10.0 110.128 179.037 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -60.16 -47.57 85.38 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.09 -0.504 . . . . 10.0 112.042 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -59.61 -43.54 93.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.693 0.282 . . . . 10.0 111.315 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 7.2 m -71.01 -31.98 68.63 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.344 0.498 . . . . 10.0 112.344 -179.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -79.12 -36.55 40.44 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.137 0.421 . . . . 10.0 112.137 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 396' ' ' LYS . . . . . 0.712 ' HE2' ' HA ' ' D' ' 587' ' ' ALA . 14.7 mptt -91.92 -39.13 11.87 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 114.318 1.229 . . . . 10.0 114.318 -177.75 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 95.9 mt -105.16 16.35 25.93 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.86 0.689 . . . . 10.0 112.86 -177.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 45.4 t30 . . . . . 0 C--N 1.324 -0.529 0 CA-C-N 116.786 -0.188 . . . . 10.0 110.88 179.353 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 2.6 mm? . . . . . 0 CA--C 1.517 -0.293 0 CA-C-O 121.293 0.568 . . . . 10.0 109.872 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -115.76 28.05 8.9 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.244 -0.889 . . . . 10.0 109.76 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 92.7 mt -63.89 -32.58 74.15 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.792 -0.64 . . . . 10.0 111.175 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 23.0 mt -70.37 -34.45 72.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.944 0.402 . . . . 10.0 109.938 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -63.5 -53.86 45.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.63 -0.713 . . . . 10.0 110.737 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -66.05 -37.92 87.05 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.881 -0.599 . . . . 10.0 111.649 -179.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 17.2 t90 -62.59 -41.77 99.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.388 -0.369 . . . . 10.0 110.512 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -60.6 -31.84 70.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.288 -0.415 . . . . 10.0 110.577 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 2.0 m -65.48 -46.09 81.12 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.238 -0.652 . . . . 10.0 109.238 178.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 17.4 t -63.76 -37.58 80.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.852 -0.613 . . . . 10.0 109.629 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 27.3 m -62.37 -42.9 99.78 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.92 -0.582 . . . . 10.0 109.431 178.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 18.9 m -62.63 -41.47 99.03 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.833 -0.621 . . . . 10.0 109.703 178.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 411' ' ' THR . . . . . 0.567 ' O ' ' HG ' ' D' ' 415' ' ' LEU . 16.8 m -61.31 -45.02 96.18 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 115.671 -0.695 . . . . 10.0 110.249 178.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -58.74 -45.03 90.61 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.196 -0.456 . . . . 10.0 109.899 178.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 413' ' ' SER . . . . . 0.509 ' O ' ' HG3' ' D' ' 417' ' ' GLU . 4.6 m -60.67 -42.8 97.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.737 -0.665 . . . . 10.0 109.832 178.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 34.5 mmtt -62.42 -34.72 77.31 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.054 178.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 415' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' D' ' 411' ' ' THR . 92.2 mt -66.48 -40.12 89.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.008 -0.542 . . . . 10.0 109.583 179.152 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 416' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' D' ' 416' ' ' ARG . 28.7 mtt180 -67.36 -34.93 78.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.62 179.492 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 417' ' ' GLU . . . . . 0.509 ' HG3' ' O ' ' D' ' 413' ' ' SER . 42.8 mt-10 -65.74 -25.19 67.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 10.0 109.801 178.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -86.32 -53.53 4.96 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 108.722 -0.844 . . . . 10.0 108.722 178.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 72.1 mt -47.81 -38.42 15.84 Favored 'General case' 0 CA--C 1.522 -0.13 0 CA-C-N 115.352 -0.84 . . . . 10.0 112.578 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 420' ' ' GLY . . . . . 0.489 ' O ' ' HG3' ' D' ' 424' ' ' GLN . . . -53.1 -77.5 0.14 Allowed Glycine 0 CA--C 1.522 0.479 0 O-C-N 123.553 0.533 . . . . 10.0 112.339 179.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 421' ' ' PRO . . . . . 0.542 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 34.2 Cg_exo -61.62 -36.35 76.02 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.737 2.291 . . . . 10.0 112.056 179.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 4.9 t -56.14 -49.54 75.45 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.36 0 CA-C-N 116.552 -0.295 . . . . 10.0 111.559 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 22.9 p -65.48 -32.87 74.71 Favored 'General case' 0 C--O 1.226 -0.15 0 C-N-CA 120.893 -0.323 . . . . 10.0 111.652 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 424' ' ' GLN . . . . . 0.489 ' HG3' ' O ' ' D' ' 420' ' ' GLY . 68.0 mt-30 -64.59 -53.81 41.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.877 0.37 . . . . 10.0 110.132 179.327 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 425' ' ' GLU . . . . . 0.542 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 10.2 pt-20 -70.2 -30.09 67.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.31 -0.405 . . . . 10.0 110.614 179.502 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 426' ' ' PHE . . . . . 0.495 ' O ' ' HG ' ' D' ' 430' ' ' LEU . 17.6 t80 -67.87 -41.18 83.24 Favored 'General case' 0 C--O 1.221 -0.412 0 N-CA-C 109.191 -0.67 . . . . 10.0 109.191 178.347 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 2.6 m0 -64.57 -42.96 95.32 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.086 -0.709 . . . . 10.0 109.086 178.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 428' ' ' ASP . . . . . 0.465 ' O ' ' HG3' ' D' ' 432' ' ' LYS . 29.0 t70 -64.71 -36.15 83.36 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.062 -0.718 . . . . 10.0 109.062 178.291 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -65.98 -42.53 89.71 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.642 -0.874 . . . . 10.0 108.642 177.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 430' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' D' ' 426' ' ' PHE . 85.6 mt -60.18 -37.96 81.78 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-N 115.486 -0.779 . . . . 10.0 108.951 178.143 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -62.46 -40.62 97.22 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 115.69 -0.687 . . . . 10.0 109.42 178.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 432' ' ' LYS . . . . . 0.465 ' HG3' ' O ' ' D' ' 428' ' ' ASP . 54.7 mttp -65.94 -38.38 88.49 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.695 -0.854 . . . . 10.0 108.695 178.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -67.51 -52.76 35.21 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.702 -0.681 . . . . 10.0 111.209 179.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 7.2 p -59.94 -49.92 75.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.593 0.235 . . . . 10.0 111.068 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -64.94 -37.52 87.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.781 0.324 . . . . 10.0 110.975 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -66.61 -47.14 70.65 Favored Glycine 0 C--O 1.227 -0.303 0 N-CA-C 110.889 -0.884 . . . . 10.0 110.889 178.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 90.8 mt -64.65 -35.47 81.14 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 109.95 -0.389 . . . . 10.0 109.95 179.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 438' ' ' ARG . . . . . 0.567 ' HA ' ' HB2' ' D' ' 441' ' ' MET . 78.3 mtt180 -64.6 -30.74 71.77 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.193 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -64.41 -41.23 96.74 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.601 -0.518 . . . . 10.0 109.601 179.031 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -77.74 -37.13 49.95 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.119 -0.697 . . . . 10.0 109.119 178.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 441' ' ' MET . . . . . 0.567 ' HB2' ' HA ' ' D' ' 438' ' ' ARG . 57.9 mmm -61.5 -46.02 91.77 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 115.511 -0.768 . . . . 10.0 112.333 -179.506 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 2.3 p -57.98 -46.62 84.87 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-O 121.072 0.463 . . . . 10.0 110.307 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -66.67 -44.22 82.41 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.668 -0.696 . . . . 10.0 110.203 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 444' ' ' ASP . . . . . 0.574 ' O ' ' HB ' ' D' ' 448' ' ' VAL . 2.4 t70 -61.4 -44.9 96.35 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.819 -179.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 445' ' ' LEU . . . . . 0.578 ' O ' HG12 ' D' ' 448' ' ' VAL . 56.1 mt -67.08 -43.07 83.55 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.199 0.444 . . . . 10.0 112.199 -179.507 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -71.82 -45.95 59.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.025 0.441 . . . . 10.0 111.251 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 447' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.73 -28.19 67.44 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.991 -0.55 . . . . 10.0 111.614 -179.6 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 448' ' ' VAL . . . . . 0.578 HG12 ' O ' ' D' ' 445' ' ' LEU . 0.5 OUTLIER -65.09 -28.17 44.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 C-N-CA 120.976 -0.29 . . . . 10.0 110.71 179.355 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -67.19 -33.67 75.89 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.006 -0.738 . . . . 10.0 109.006 178.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -87.5 8.26 25.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.237 -0.892 . . . . 10.0 110.333 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 451' ' ' LYS . . . . . . . . . . . . . 35.6 mmtm -118.56 -52.24 2.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.821 178.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 452' ' ' VAL . . . . . 0.53 HG23 HG22 ' D' ' 448' ' ' VAL . 78.5 t -60.45 -43.87 95.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.917 -0.583 . . . . 10.0 111.13 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -55.31 -61.53 5.88 Favored Pre-proline 0 CA--C 1.54 0.561 0 N-CA-C 112.153 0.427 . . . . 10.0 112.153 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 454' ' ' PRO . . . . . 0.427 ' HA ' ' HB3' ' D' ' 457' ' ' ASP . 36.7 Cg_endo -67.44 -30.34 36.33 Favored 'Trans proline' 0 C--N 1.355 0.918 0 C-N-CA 122.145 1.897 . . . . 10.0 112.758 179.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 455' ' ' TYR . . . . . 0.44 ' O ' ' HB2' ' D' ' 459' ' ' PHE . 12.1 t80 -67.02 -49.83 64.01 Favored 'General case' 0 CA--C 1.521 -0.143 0 N-CA-C 109.761 -0.459 . . . . 10.0 109.761 179.311 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 21.6 mt -66.96 -33.83 76.43 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.542 -0.54 . . . . 10.0 109.542 178.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 457' ' ' ASP . . . . . 0.427 ' HB3' ' HA ' ' D' ' 454' ' ' PRO . 11.9 t70 -62.03 -55.32 30.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.767 -0.651 . . . . 10.0 110.009 178.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -64.25 -35.57 81.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.475 179.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 459' ' ' PHE . . . . . 0.44 ' HB2' ' O ' ' D' ' 455' ' ' TYR . 0.2 OUTLIER -64.56 -47.86 77.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.07 -0.513 . . . . 10.0 109.95 178.842 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -61.99 -37.67 85.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.092 -0.504 . . . . 10.0 110.1 179.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -62.73 -42.68 99.78 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.995 -0.548 . . . . 10.0 109.546 178.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 462' ' ' LYS . . . . . 0.427 ' HB3' H283 ' D' ' 602' ' ' PCW . 0.3 OUTLIER -68.86 -33.92 74.6 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.663 -0.699 . . . . 10.0 109.52 178.473 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 38.9 m0 -66.26 -42.18 88.88 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 109.301 -0.629 . . . . 10.0 109.301 178.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -63.03 -47.5 82.74 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 108.975 -0.75 . . . . 10.0 108.975 178.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 465' ' ' GLU . . . . . 0.471 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 40.2 mt-10 -54.88 -52.17 63.67 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.617 -0.719 . . . . 10.0 109.74 178.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 466' ' ' GLU . . . . . 0.45 ' HG3' ' CE2' ' D' ' 470' ' ' TYR . 4.3 tp10 -62.79 -41.54 99.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.431 -0.804 . . . . 10.0 111.231 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 45.1 ttm -61.31 -44.59 96.96 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.817 0.341 . . . . 10.0 110.439 179.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -65.81 -39.13 90.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.951 -0.568 . . . . 10.0 109.614 178.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 469' ' ' LEU . . . . . 0.521 HD21 ' HG3' ' A' ' 308' ' ' ARG . 84.7 mt -64.11 -41.66 97.18 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.661 -0.7 . . . . 10.0 109.469 178.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 470' ' ' TYR . . . . . 0.45 ' CE2' ' HG3' ' D' ' 466' ' ' GLU . 11.6 m-30 -68.16 -29.35 68.21 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 110.042 -0.355 . . . . 10.0 110.042 178.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -72.61 -16.97 61.72 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.466 -0.568 . . . . 10.0 109.466 177.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -112.82 6.01 17.78 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.027 179.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 473' ' ' LYS . . . . . 0.623 ' HE3' ' HB3' ' A' ' 301' ' ' LEU . 47.7 mttp -125.04 -65.78 1.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.78 -0.646 . . . . 10.0 110.436 179.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 60.8 t -63.25 -40.76 90.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.028 -0.533 . . . . 10.0 111.091 -179.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -57.91 -59.89 11.73 Favored Pre-proline 0 CA--C 1.531 0.247 0 N-CA-C 112.249 0.462 . . . . 10.0 112.249 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -63.15 -36.5 57.8 Favored 'Trans proline' 0 C--N 1.354 0.86 0 C-N-CA 121.574 1.516 . . . . 10.0 110.824 178.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 11.1 mt -60.97 -37.68 83.26 Favored 'General case' 0 C--O 1.223 -0.306 0 N-CA-C 109.617 -0.512 . . . . 10.0 109.617 178.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 24.3 mtt180 -60.09 -36.02 76.47 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 109.418 -0.586 . . . . 10.0 109.418 178.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -73.53 -43.27 60.39 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.661 -0.7 . . . . 10.0 110.18 179.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.74 -43.33 96.79 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.642 -0.503 . . . . 10.0 109.642 178.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 66.2 mt -68.94 -30.95 69.5 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-N 115.948 -0.569 . . . . 10.0 109.765 178.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -64.4 -49.47 71.43 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.125 -0.694 . . . . 10.0 109.125 178.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -66.1 -41.44 90.59 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.944 -0.571 . . . . 10.0 109.53 178.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -62.2 -43.48 99.05 Favored Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 111.512 -0.635 . . . . 10.0 111.512 179.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -68.08 -39.54 82.9 Favored 'General case' 0 CA--C 1.517 -0.312 0 N-CA-C 109.907 -0.405 . . . . 10.0 109.907 179.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 -64.6 -42.82 95.32 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 109.641 -0.503 . . . . 10.0 109.641 178.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -65.52 -43.45 90.02 Favored 'General case' 0 C--O 1.221 -0.412 0 N-CA-C 109.235 -0.654 . . . . 10.0 109.235 178.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -63.29 -39.0 93.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.099 178.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 18.8 mt -62.48 -45.46 92.92 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.023 -0.732 . . . . 10.0 109.023 178.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 16.7 t-160 -62.27 -48.49 79.7 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.992 -0.744 . . . . 10.0 108.992 178.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -55.07 -47.12 75.31 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.297 179.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 492' ' ' LEU . . . . . 0.483 ' O ' ' HG ' ' D' ' 496' ' ' LEU . 12.9 mt -68.14 -40.94 82.31 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 116.08 -0.509 . . . . 10.0 111.513 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -63.58 -31.62 72.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.815 0.341 . . . . 10.0 111.334 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -76.48 1.86 15.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.246 0.546 . . . . 10.0 110.307 178.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 495' ' ' LYS . . . . . 0.628 ' HE3' HD22 ' A' ' 279' ' ' LEU . 27.5 mttp -120.55 -38.34 2.89 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.547 -0.751 . . . . 10.0 109.54 178.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 496' ' ' LEU . . . . . 0.539 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 96.1 mt -62.84 -22.87 66.98 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 115.963 -0.562 . . . . 10.0 111.433 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 497' ' ' SER . . . . . 0.465 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 19.8 m -83.17 -63.22 0.26 Allowed Pre-proline 0 CA--C 1.541 0.6 0 CA-C-N 116.62 -0.264 . . . . 10.0 111.467 178.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 498' ' ' PRO . . . . . 0.465 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 31.8 Cg_endo -63.38 -48.75 5.47 Favored 'Trans proline' 0 C--N 1.357 0.976 0 C-N-CA 122.092 1.861 . . . . 10.0 111.971 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 499' ' ' LEU . . . . . 0.453 ' HB2' ' O ' ' D' ' 495' ' ' LYS . 46.1 mt -76.22 -29.36 57.55 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 116.714 -0.221 . . . . 10.0 110.765 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 500' ' ' GLY . . . . . 0.539 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -64.49 -50.11 61.17 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.577 -0.82 . . . . 10.0 111.113 179.558 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -70.68 -31.23 68.05 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 178.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 502' ' ' GLU . . . . . 0.469 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 33.9 tt0 -65.62 -47.39 75.8 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.627 -0.715 . . . . 10.0 109.895 178.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 503' ' ' MET . . . . . 0.411 ' HA ' ' HD2' ' D' ' 506' ' ' ARG . 79.6 mmm -60.25 -37.64 81.02 Favored 'General case' 0 CA--C 1.52 -0.2 0 N-CA-C 109.575 -0.528 . . . . 10.0 109.575 178.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -68.29 -40.35 81.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.615 178.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 505' ' ' ASP . . . . . 0.935 ' HA ' ' HD2' ' D' ' 508' ' ' ARG . 6.8 t70 -66.58 -36.39 82.51 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.73 -0.47 . . . . 10.0 109.73 178.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 506' ' ' ARG . . . . . 0.469 ' HG3' ' O ' ' D' ' 502' ' ' GLU . 63.6 mtt180 -63.86 -48.33 77.17 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 107.333 -1.358 . . . . 10.0 107.333 177.13 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -58.57 -38.27 77.53 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 114.972 -1.013 . . . . 10.0 109.803 178.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 508' ' ' ARG . . . . . 0.935 ' HD2' ' HA ' ' D' ' 505' ' ' ASP . 92.9 mtt180 -59.4 -46.58 88.3 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 109.246 -0.65 . . . . 10.0 109.246 178.347 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 509' ' ' ALA . . . . . 0.847 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -63.33 -38.21 90.26 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.455 -0.793 . . . . 10.0 111.191 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 510' ' ' HIS . . . . . 0.569 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 84.4 m-70 -72.31 -45.38 60.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.456 -0.338 . . . . 10.0 110.257 179.061 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 39.8 t -63.07 -42.06 95.19 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.084 179.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 512' ' ' ASP . . . . . 0.546 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 17.8 t70 -66.88 -35.35 79.82 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-N 116.075 -0.511 . . . . 10.0 109.909 179.341 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -62.55 -43.15 99.51 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.82 -0.807 . . . . 10.0 108.82 178.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 514' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' D' ' 510' ' ' HIS . 83.4 mt -61.25 -25.31 67.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.708 -0.678 . . . . 10.0 110.471 179.337 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 515' ' ' ARG . . . . . 0.546 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 78.0 mtt180 -68.57 -30.01 68.69 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.586 -0.524 . . . . 10.0 109.586 178.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.78 -17.02 17.89 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.403 179.368 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 33.8 m170 -97.18 -78.31 0.48 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.034 -0.53 . . . . 10.0 111.53 -179.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 39.2 mt -60.15 -45.29 93.56 Favored 'General case' 0 C--O 1.232 0.147 0 N-CA-C 113.586 0.958 . . . . 10.0 113.586 -178.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 519' ' ' ALA . . . . . 0.729 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -52.84 -61.6 4.52 Favored Pre-proline 0 CA--C 1.535 0.4 0 N-CA-C 112.893 0.701 . . . . 10.0 112.893 -178.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 520' ' ' PRO . . . . . 0.729 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 24.1 Cg_exo -65.6 -40.07 19.12 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 121.782 1.655 . . . . 10.0 111.515 179.044 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -59.05 -40.64 85.73 Favored 'General case' 0 C--O 1.226 -0.15 0 CA-C-N 116.501 -0.318 . . . . 10.0 111.694 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 522' ' ' SER . . . . . 0.439 ' O ' ' HG3' ' D' ' 526' ' ' ARG . 78.0 p -62.7 -36.01 81.55 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.919 -0.312 . . . . 10.0 110.875 179.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 523' ' ' ASP . . . . . 0.537 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 18.5 t70 -72.3 -39.81 67.98 Favored 'General case' 0 CA--C 1.52 -0.176 0 N-CA-C 109.879 -0.415 . . . . 10.0 109.879 178.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -65.62 -32.89 74.7 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 108.66 -0.867 . . . . 10.0 108.66 178.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 525' ' ' LEU . . . . . 0.533 HD23 ' HD2' ' D' ' 528' ' ' ARG . 0.6 OUTLIER -71.71 -31.35 66.64 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 114.983 -1.008 . . . . 10.0 109.039 177.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 526' ' ' ARG . . . . . 0.537 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 64.2 mtt180 -61.96 -34.66 76.54 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 116.125 -0.488 . . . . 10.0 109.744 178.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -64.27 -40.78 96.68 Favored 'General case' 0 C--N 1.333 -0.109 0 N-CA-C 109.004 -0.739 . . . . 10.0 109.004 178.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 528' ' ' ARG . . . . . 0.55 ' HD3' ' HB2' ' A' ' 246' ' ' ASP . 67.3 mtt180 -68.61 -42.95 77.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.248 -0.887 . . . . 10.0 108.93 178.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 96.5 mt -62.57 -40.06 95.65 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-N 115.712 -0.676 . . . . 10.0 109.898 178.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -62.99 -44.46 95.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.887 -0.597 . . . . 10.0 109.812 178.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -63.53 -42.31 98.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.025 -0.534 . . . . 10.0 109.668 178.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 18.0 ttm180 -65.47 -42.89 91.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.747 -0.66 . . . . 10.0 110.038 179.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 58.9 mt -66.93 -36.39 82.15 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.696 -0.483 . . . . 10.0 109.696 179.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -61.94 -47.34 85.31 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.633 -0.877 . . . . 10.0 108.633 178.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -63.72 -40.85 97.76 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.462 -0.79 . . . . 10.0 109.278 178.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 13.3 mt -60.67 -35.6 76.64 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.804 -0.635 . . . . 10.0 111.056 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -78.03 -43.17 30.16 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.957 0.408 . . . . 10.0 110.968 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -65.36 -50.32 66.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.537 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -73.23 -36.65 66.48 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.734 -0.469 . . . . 10.0 109.734 179.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -63.8 -43.9 97.01 Favored Glycine 0 N--CA 1.445 -0.715 0 CA-C-N 115.586 -0.734 . . . . 10.0 111.546 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -61.04 -39.19 96.73 Favored Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 110.594 -1.003 . . . . 10.0 110.594 178.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -67.5 -42.69 82.46 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 109.241 -0.651 . . . . 10.0 109.241 178.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 543' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' D' ' 543' ' ' ARG . 49.2 mtt180 -62.79 -41.84 99.45 Favored 'General case' 0 C--O 1.222 -0.381 0 CA-C-N 115.762 -0.654 . . . . 10.0 109.859 178.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 72.1 mt -59.74 -41.66 91.41 Favored 'General case' 0 CA--C 1.519 -0.227 0 N-CA-C 109.756 -0.461 . . . . 10.0 109.756 178.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -62.99 -47.0 85.01 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.771 -0.65 . . . . 10.0 109.345 178.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -61.88 -45.19 94.83 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.794 178.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -61.39 -43.7 98.41 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.41 -0.359 . . . . 10.0 110.735 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -66.4 -39.44 89.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.09 179.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -66.61 -45.06 80.37 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.611 -0.515 . . . . 10.0 109.611 179.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.79 -25.79 63.96 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.967 -0.561 . . . . 10.0 110.52 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -65.62 -42.45 91.55 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.759 -0.46 . . . . 10.0 109.759 178.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -65.45 -42.74 92.05 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 108.991 -0.744 . . . . 10.0 108.991 178.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -65.43 -43.0 91.86 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.859 -0.61 . . . . 10.0 109.974 179.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 27.2 t60 -60.19 -45.61 92.55 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 108.836 -0.802 . . . . 10.0 108.836 178.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 26.3 tp -64.29 -38.69 91.93 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 115.81 -0.632 . . . . 10.0 109.923 178.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 54.6 m -60.29 -44.38 95.43 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.414 179.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.09 -33.53 70.28 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.921 0.391 . . . . 10.0 110.712 178.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 48.5 mt -64.15 -51.64 62.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.118 -0.492 . . . . 10.0 109.976 179.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 4.9 m -66.3 -36.34 82.69 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 109.621 -0.511 . . . . 10.0 109.621 179.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -59.4 -35.14 73.39 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-N 115.586 -0.734 . . . . 10.0 110.23 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.21 -40.27 12.98 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.902 -0.59 . . . . 10.0 111.234 179.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -52.77 -44.51 66.59 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.57 0.582 . . . . 10.0 112.57 -179.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 563' ' ' LYS . . . . . 0.499 ' HB2' ' HD3' ' D' ' 564' ' ' PRO . 94.8 mttt -55.34 -63.59 2.92 Favored Pre-proline 0 CA--C 1.537 0.453 0 N-CA-C 112.813 0.672 . . . . 10.0 112.813 -179.447 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 564' ' ' PRO . . . . . 0.499 ' HD3' ' HB2' ' D' ' 563' ' ' LYS . 53.8 Cg_endo -69.65 -34.46 14.9 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 122.055 1.836 . . . . 10.0 112.969 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -63.88 -55.13 25.07 Favored 'General case' 0 CA--C 1.522 -0.11 0 C-N-CA 121.209 -0.196 . . . . 10.0 111.147 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 46.4 mt -59.06 -41.35 87.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.657 0.265 . . . . 10.0 110.794 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -64.69 -48.22 75.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.265 -0.425 . . . . 10.0 111.204 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.5 -37.87 89.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.727 0.299 . . . . 10.0 110.486 179.546 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 59.5 mt -62.87 -43.37 98.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.052 -0.522 . . . . 10.0 109.616 178.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 570' ' ' ARG . . . . . 0.456 ' O ' ' HG ' ' D' ' 574' ' ' LEU . 64.1 mtt180 -66.88 -49.62 65.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.22 -0.445 . . . . 10.0 110.522 178.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -62.93 -21.45 66.07 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.776 -0.647 . . . . 10.0 111.488 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -92.12 -43.44 4.38 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.68 -0.772 . . . . 10.0 111.199 178.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 21.4 mt -65.06 -37.38 87.38 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.276 0.472 . . . . 10.0 112.276 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 574' ' ' LEU . . . . . 0.514 ' O ' ' HG2' ' D' ' 578' ' ' GLU . 56.1 mt -51.62 -62.57 2.85 Favored Pre-proline 0 CA--C 1.535 0.386 0 N-CA-C 112.907 0.706 . . . . 10.0 112.907 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.51 -34.48 33.44 Favored 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 121.706 1.604 . . . . 10.0 111.909 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 24.9 t -64.77 -45.51 94.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.603 0.239 . . . . 10.0 110.656 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 63.1 mt -65.62 -40.92 93.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.494 -0.321 . . . . 10.0 110.584 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 578' ' ' GLU . . . . . 0.518 ' O ' HG23 ' D' ' 582' ' ' VAL . 23.4 mm-40 -61.79 -41.27 97.53 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.967 -0.382 . . . . 10.0 109.967 178.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 16.6 m -68.14 -38.55 82.3 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.892 -0.595 . . . . 10.0 109.707 178.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -60.87 -42.39 97.81 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.033 -0.531 . . . . 10.0 109.833 178.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -59.06 -37.38 76.91 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.231 178.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 582' ' ' VAL . . . . . 0.518 HG23 ' O ' ' D' ' 578' ' ' GLU . 52.3 t -64.42 -47.4 89.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 109.544 -0.539 . . . . 10.0 109.544 178.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 10.7 p -66.66 -30.82 71.17 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.987 179.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -70.74 -44.56 66.54 Favored 'General case' 0 CA--C 1.521 -0.146 0 N-CA-C 109.66 -0.496 . . . . 10.0 109.66 178.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 73.8 mt -59.04 -47.89 83.57 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.629 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 1.3 p -65.43 -33.59 76.3 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.542 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 587' ' ' ALA . . . . . 0.712 ' HA ' ' HE2' ' A' ' 396' ' ' LYS . . . -68.14 -47.75 67.24 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.679 -0.489 . . . . 10.0 109.679 178.763 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 99.2 mt -58.93 -47.59 84.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.859 -0.61 . . . . 10.0 110.589 179.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 589' ' ' GLU . . . . . 0.525 ' O ' ' HG3' ' D' ' 593' ' ' LYS . 3.9 mt-10 -56.89 -47.58 80.19 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.414 -0.357 . . . . 10.0 110.569 179.184 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 590' ' ' GLU . . . . . 0.494 ' HG3' ' NZ ' ' A' ' 396' ' ' LYS . 7.3 mm-40 -63.38 -46.14 87.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.92 -0.582 . . . . 10.0 111.161 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -60.62 -38.31 84.34 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.323 -0.399 . . . . 10.0 110.97 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 28.7 m -63.94 -31.02 72.06 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.704 179.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 593' ' ' LYS . . . . . 0.525 ' HG3' ' O ' ' D' ' 589' ' ' GLU . 87.2 mttt -76.67 -47.46 22.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.559 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 594' ' ' LYS . . . . . 0.589 ' HE2' ' HB2' ' A' ' 388' ' ' SER . 5.2 mptt -70.34 -33.5 71.56 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.887 -0.597 . . . . 10.0 111.962 -179.032 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 94.6 mt -103.73 39.74 1.56 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.038 0.447 . . . . 10.0 110.77 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 . . . . . 0 C--N 1.321 -0.638 0 CA-C-N 116.399 -0.364 . . . . 10.0 111.064 179.785 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 2.5 m . . . . . 0 N--CA 1.456 -0.175 0 CA-C-O 120.761 0.315 . . . . 10.0 110.344 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . 0.589 ' HB ' ' CE2' ' B' ' 4' ' ' TYR . 0.2 OUTLIER -104.97 143.64 32.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.277 -0.42 . . . . 10.0 110.379 179.62 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -101.6 134.05 45.33 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.554 -0.294 . . . . 10.0 110.519 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' TYR . . . . . 0.589 ' CE2' ' HB ' ' B' ' 2' ' ' THR . 99.1 m-85 -133.11 129.75 38.35 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.376 -0.375 . . . . 10.0 110.992 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 54.7 mttm -97.57 108.02 20.64 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.412 -0.358 . . . . 10.0 110.177 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 62.0 mt -107.85 133.9 51.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.262 -0.427 . . . . 10.0 110.899 -178.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.506 HG11 ' HD2' ' B' ' 71' ' ' TYR . 65.4 t -121.13 122.49 67.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.094 0.473 . . . . 10.0 110.802 179.283 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.423 HG12 ' HE2' ' B' ' 16' ' ' LYS . 41.5 t -89.85 109.57 20.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 109.395 -0.594 . . . . 10.0 109.395 179.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 4.7 m -109.18 169.1 3.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.091 -0.504 . . . . 10.0 111.258 -179.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 138.08 -176.57 20.63 Favored Glycine 0 N--CA 1.444 -0.816 0 N-CA-C 110.941 -0.864 . . . . 10.0 110.941 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.45 168.26 17.63 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.754 0.277 . . . . 10.0 110.681 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -80.18 152.59 29.1 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.036 0.446 . . . . 10.0 111.333 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . 0.526 ' HA2' H5'1 ' B' ' 201' ' ' GSP . . . 75.86 11.65 84.48 Favored Glycine 0 CA--C 1.519 0.341 0 CA-C-N 115.729 -0.669 . . . . 10.0 113.805 179.078 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.458 ' HA ' ' HB2' ' B' ' 83' ' ' ALA . 33.3 m -84.33 -17.09 10.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 117.228 0.514 . . . . 10.0 111.731 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . 0.534 ' HA3' ' C8 ' ' B' ' 201' ' ' GSP . . . 97.83 21.51 18.46 Favored Glycine 0 N--CA 1.448 -0.528 0 CA-C-N 115.936 -0.575 . . . . 10.0 111.802 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.61 ' HG2' ' O2B' ' B' ' 201' ' ' GSP . 10.6 ptmm? -66.23 -38.64 88.41 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.728 -0.236 . . . . 10.0 111.197 -179.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . 0.459 ' OG ' ' O3G' ' B' ' 201' ' ' GSP . 0.3 OUTLIER -70.18 -38.95 75.48 Favored 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 109.236 -0.653 . . . . 10.0 109.236 179.493 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.47 -45.09 94.97 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.381 -0.827 . . . . 10.0 109.896 179.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 36.4 mt -60.03 -43.97 94.95 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.17 179.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . 0.415 ' O ' HG12 ' B' ' 24' ' ' ILE . 21.8 m -63.9 -51.15 65.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.841 179.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 85.4 mt -62.22 -33.5 59.1 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-N 116.484 -0.325 . . . . 10.0 111.535 -179.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . 0.587 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 2.1 mm-40 -63.39 -30.52 71.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.475 -0.33 . . . . 10.0 111.758 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 6.2 tp -92.69 -39.19 11.41 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.121 0.486 . . . . 10.0 111.195 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.621 HD11 HD13 ' B' ' 55' ' ' ILE . 49.3 mm -70.88 -51.61 34.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.95 -0.568 . . . . 10.0 112.385 -179.039 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -105.4 -9.53 17.5 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.862 0.69 . . . . 10.0 112.862 -178.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . 0.587 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 2.2 m-80 68.93 33.81 3.4 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 113.354 0.872 . . . . 10.0 113.354 178.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 16.8 p80 -145.89 155.07 42.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.625 0.25 . . . . 10.0 111.158 178.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -105.12 135.95 45.52 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.055 0.455 . . . . 10.0 111.831 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 1.6 m -101.22 114.89 41.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.828 -0.624 . . . . 10.0 110.241 178.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -76.0 -30.56 58.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.993 -179.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -78.51 155.68 29.66 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.374 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -88.82 133.59 34.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.474 -0.33 . . . . 10.0 110.372 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -126.5 109.88 23.24 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-O 120.636 0.255 . . . . 10.0 111.528 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo -66.94 118.73 5.79 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.881 2.387 . . . . 10.0 111.262 179.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.511 ' OG1' ' O3G' ' B' ' 201' ' ' GSP . 88.9 m -94.05 142.28 27.57 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.897 -0.592 . . . . 10.0 111.765 -178.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 48.1 mm -105.84 -45.29 8.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 107.915 -1.143 . . . . 10.0 107.915 178.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -178.33 99.17 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 114.719 -1.128 . . . . 10.0 108.438 179.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -112.73 128.04 56.3 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 111.983 0.364 . . . . 10.0 111.983 -178.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -125.5 116.62 22.08 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.144 178.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -119.51 147.15 44.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.421 -0.354 . . . . 10.0 111.464 -179.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 2.3 mpp_? -109.5 135.02 51.19 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.731 0.3 . . . . 10.0 111.048 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 37.5 tptt -139.05 118.94 13.25 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.338 179.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . 0.429 ' HA ' ' O ' ' B' ' 51' ' ' CYS . 9.0 tt0 -108.26 113.94 27.43 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.883 0.373 . . . . 10.0 110.588 178.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 3.9 m -135.43 176.52 8.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.766 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 22.0 t -101.49 95.43 3.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.24 -0.436 . . . . 10.0 109.839 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . 0.417 HD11 HD11 ' B' ' 53' ' ' LEU . 46.6 mt -97.23 116.39 39.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.876 -179.29 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . 0.59 ' HA ' ' HB3' ' C' ' 128' ' ' LYS . 3.8 m-20 62.74 15.86 8.49 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.176 -0.92 . . . . 10.0 111.928 179.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.16 -7.85 54.96 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.641 -0.79 . . . . 10.0 111.863 -179.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -106.17 121.84 44.98 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.708 0.289 . . . . 10.0 110.503 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.51 122.12 17.31 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.959 -0.756 . . . . 10.0 108.959 178.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . 0.429 ' O ' ' HA ' ' B' ' 43' ' ' GLN . 11.6 m -126.94 136.36 52.17 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.34 0.496 . . . . 10.0 112.34 -178.247 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 55.2 tp -98.46 101.87 13.44 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 107.751 -1.203 . . . . 10.0 107.751 177.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . 0.417 HD11 HD11 ' B' ' 46' ' ' ILE . 29.4 mt -92.31 126.83 37.56 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 112.799 0.666 . . . . 10.0 112.799 -177.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -105.49 99.41 9.02 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 107.18 -1.415 . . . . 10.0 107.18 176.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' ILE . . . . . 0.682 HG12 ' HE1' ' B' ' 156' ' ' PHE . 4.2 mp -90.58 119.96 38.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.977 -0.556 . . . . 10.0 111.537 -178.032 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 52.8 tp -108.44 117.21 33.56 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.623 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . 0.486 ' OD2' ' O3G' ' B' ' 201' ' ' GSP . 16.3 t70 -103.64 112.14 24.93 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.028 -0.533 . . . . 10.0 111.418 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . 0.494 HG21 ' CE1' ' B' ' 71' ' ' TYR . 0.7 OUTLIER -111.99 139.24 47.66 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.809 -0.812 . . . . 10.0 108.809 178.125 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' ALA . . . . . 0.4 ' HB1' ' HG3' ' B' ' 61' ' ' GLN . . . -76.15 135.32 39.8 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.077 0.465 . . . . 10.0 111.595 -178.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -94.24 56.09 2.09 Favored Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 110.857 -0.897 . . . . 10.0 110.857 179.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . 0.4 ' HG3' ' HB1' ' B' ' 59' ' ' ALA . 33.4 mt-30 -96.0 16.19 18.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.753 -0.223 . . . . 10.0 111.501 -178.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.403 ' HG3' ' H ' ' B' ' 63' ' ' GLU . 2.7 tp10 64.34 -175.27 0.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.88 -0.6 . . . . 10.0 111.331 179.547 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.403 ' H ' ' HG3' ' B' ' 62' ' ' GLU . 0.8 OUTLIER 71.35 -9.05 0.94 Allowed 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.84 0.681 . . . . 10.0 112.84 179.853 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' TYR . . . . . 0.665 ' HB3' ' HB3' ' B' ' 67' ' ' MET . 13.8 m-85 -95.04 45.8 1.11 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.858 0.361 . . . . 10.0 111.099 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.89 -36.37 81.09 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.041 -0.527 . . . . 10.0 111.644 -179.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.33 -32.45 18.41 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 121.077 -0.249 . . . . 10.0 111.322 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . 0.665 ' HB3' ' HB3' ' B' ' 64' ' ' TYR . 27.6 ttt -71.53 -33.78 69.47 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.21 -0.45 . . . . 10.0 111.478 -179.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . 0.498 ' HA ' ' CE1' ' B' ' 71' ' ' TYR . 1.0 OUTLIER -59.05 -39.05 80.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.788 179.841 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.73 -25.13 67.8 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.371 -0.831 . . . . 10.0 111.777 -179.116 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -69.71 -71.13 0.24 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.983 0.734 . . . . 10.0 112.983 -178.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' TYR . . . . . 0.506 ' HD2' HG11 ' B' ' 7' ' ' VAL . 51.8 p90 -62.67 -28.73 70.13 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 113.922 1.082 . . . . 10.0 113.922 -177.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 49.8 mtt -69.61 -25.76 64.11 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.006 0.431 . . . . 10.0 111.795 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 16.1 ttm180 -74.68 -37.71 62.6 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.748 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.07 -32.47 22.82 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.205 0.446 . . . . 10.0 112.205 -179.253 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.71 136.0 49.15 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 121.221 -0.514 . . . . 10.0 113.342 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -96.34 -50.46 4.77 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.25 -0.648 . . . . 10.0 109.25 179.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -112.05 136.5 13.57 Favored Glycine 0 N--CA 1.446 -0.648 0 N-CA-C 110.927 -0.869 . . . . 10.0 110.927 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . 0.781 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 96.7 m-85 -116.56 130.95 57.04 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.278 0.561 . . . . 10.0 112.125 -178.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 12.5 tp -106.36 100.36 9.9 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.459 -0.791 . . . . 10.0 109.254 179.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 3.7 m -80.35 93.17 5.9 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.253 -0.431 . . . . 10.0 110.641 -179.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 52.5 t -95.45 126.72 47.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.008 -0.542 . . . . 10.0 111.512 -178.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' PHE . . . . . 0.707 ' HB2' ' HB2' ' B' ' 89' ' ' SER . 24.3 p90 -137.12 149.03 47.06 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.676 -0.693 . . . . 10.0 109.827 179.356 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.458 ' HB2' ' HA ' ' B' ' 14' ' ' VAL . . . -88.27 126.24 35.07 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.02 -0.733 . . . . 10.0 109.02 179.336 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . 0.909 HD12 ' HD3' ' B' ' 123' ' ' ARG . 20.0 pt -71.09 -6.35 7.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 112.546 0.572 . . . . 10.0 112.546 -179.068 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . 0.449 ' OD1' ' HD2' ' B' ' 117' ' ' LYS . 4.2 p-10 -97.65 2.77 50.19 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.163 0.506 . . . . 10.0 110.112 178.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.433 ' HB3' ' OG ' ' B' ' 89' ' ' SER . 38.9 t-20 -135.54 107.53 7.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.681 -0.69 . . . . 10.0 110.019 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -61.07 -33.01 72.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.882 -0.599 . . . . 10.0 112.067 -179.506 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -56.89 -43.76 81.65 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.969 0.359 . . . . 10.0 111.969 -179.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . 0.707 ' HB2' ' HB2' ' B' ' 82' ' ' PHE . 0.0 OUTLIER -62.89 -34.31 77.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.864 0.364 . . . . 10.0 110.829 179.58 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -72.31 -41.52 66.49 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.514 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -67.4 -33.84 76.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.014 -0.539 . . . . 10.0 110.742 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.74 -16.49 63.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.836 -0.62 . . . . 10.0 112.118 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 93' ' ' ILE . . . . . 0.472 HD11 ' HB3' ' B' ' 82' ' ' PHE . 34.1 mm -59.5 -43.31 90.42 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-O 120.807 0.337 . . . . 10.0 110.971 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 35.2 t60 -68.9 -35.52 76.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.444 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -65.67 -47.45 75.46 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.703 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 96' ' ' TYR . . . . . 0.413 ' O ' HG13 ' B' ' 100' ' ' ILE . 5.5 m-85 -64.58 -30.85 71.88 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.595 179.634 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 42.8 ttt-85 -63.78 -49.19 73.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.846 -0.615 . . . . 10.0 110.295 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -60.8 -37.4 81.82 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.892 -0.595 . . . . 10.0 110.26 179.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 99' ' ' GLN . . . . . 0.492 ' O ' HG23 ' B' ' 103' ' ' VAL . 36.4 tp60 -59.21 -55.11 39.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.44 -0.8 . . . . 10.0 110.273 179.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . 0.413 HG13 ' O ' ' B' ' 96' ' ' TYR . 56.4 mt -57.66 -41.06 78.49 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 CA-C-N 116.205 -0.452 . . . . 10.0 111.49 -179.451 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? -61.7 -31.47 71.61 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.992 -0.549 . . . . 10.0 112.231 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? -89.13 -35.37 16.31 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.719 0.295 . . . . 10.0 111.081 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . 0.492 HG23 ' O ' ' B' ' 99' ' ' GLN . 70.1 t -64.41 -49.01 82.77 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-N 116.434 -0.348 . . . . 10.0 111.717 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -90.1 -12.37 38.55 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.49 -0.323 . . . . 10.0 111.638 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 37.4 t70 58.82 56.27 4.19 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.786 0.803 . . . . 10.0 111.168 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 41.2 t -153.71 146.39 24.22 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.554 -0.748 . . . . 10.0 110.055 -179.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -96.59 -3.74 42.42 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.174 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -127.9 107.49 9.9 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.994 -0.548 . . . . 10.0 111.03 -179.688 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 66.2 t -142.56 131.75 11.93 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.162 -0.472 . . . . 10.0 109.75 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -59.85 106.78 0.35 Allowed 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.823 2.349 . . . . 10.0 111.639 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 111' ' ' MET . . . . . 0.781 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 58.5 mtm -136.65 141.27 43.18 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.065 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 79.4 t -124.27 133.78 68.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.103 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 17.8 tp -85.77 112.58 21.2 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.42 -0.585 . . . . 10.0 109.42 179.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 53.5 t -112.78 114.97 48.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 112.365 0.506 . . . . 10.0 112.365 -178.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -98.26 111.56 4.27 Favored Glycine 0 N--CA 1.448 -0.561 0 N-CA-C 110.084 -1.206 . . . . 10.0 110.084 178.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -97.07 166.03 11.78 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.842 0.321 . . . . 10.0 111.685 -178.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . 0.449 ' HD2' ' OD1' ' B' ' 85' ' ' ASN . 89.8 mttt 71.52 42.45 0.67 Allowed 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.568 -0.742 . . . . 10.0 112.79 179.077 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 118' ' ' CYS . . . . . 0.863 ' HA ' HD11 ' B' ' 84' ' ' ILE . 65.5 m -75.61 -15.63 60.32 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.991 -0.55 . . . . 10.0 110.475 179.459 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -72.61 -33.65 66.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.088 178.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 75.7 mt -73.04 116.23 48.49 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.375 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -72.7 175.15 10.67 Favored 'Trans proline' 0 C--O 1.235 0.356 0 C-N-CA 122.694 2.263 . . . . 10.0 112.19 -179.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 5.5 m 60.5 39.94 17.61 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.958 -0.564 . . . . 10.0 110.817 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 123' ' ' ARG . . . . . 0.909 ' HD3' HD12 ' B' ' 84' ' ' ILE . 10.2 ptt180 -65.61 138.19 57.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.616 -0.72 . . . . 10.0 111.937 -179.572 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.71 -37.62 35.25 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.935 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 57.5 t -90.38 113.59 26.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.131 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . 0.47 ' OD1' ' HG2' ' B' ' 128' ' ' LYS . 1.0 OUTLIER -74.18 147.32 42.68 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.607 -179.689 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 3.9 m -62.5 -45.84 91.18 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.255 -0.429 . . . . 10.0 112.109 -178.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 128' ' ' LYS . . . . . 0.47 ' HG2' ' OD1' ' B' ' 126' ' ' ASP . 18.5 pttm -63.58 -39.36 94.19 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.732 0.641 . . . . 10.0 112.732 -178.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -68.93 -28.5 66.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.801 0.334 . . . . 10.0 111.433 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -82.15 -39.05 23.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.956 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -69.91 -43.34 71.89 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.056 -0.52 . . . . 10.0 111.89 -179.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -63.92 -31.12 72.2 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.238 0.542 . . . . 10.0 110.592 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 14.1 tp -66.87 -42.59 85.37 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.801 -0.636 . . . . 10.0 109.356 178.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.38 -33.5 75.86 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.485 -0.78 . . . . 10.0 109.729 179.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 2.7 ttp180 -61.43 -40.37 94.19 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.732 -0.667 . . . . 10.0 110.026 178.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 32.6 t -70.63 -34.89 72.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.295 179.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 21.7 m-30 -72.12 -38.16 69.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.979 -0.555 . . . . 10.0 111.124 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 100.74 28.76 6.85 Favored Glycine 0 N--CA 1.449 -0.463 0 N-CA-C 111.104 -0.798 . . . . 10.0 111.104 -179.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 32.2 pt -129.27 163.9 43.05 Favored Pre-proline 0 C--O 1.234 0.271 0 CA-C-N 115.502 -0.349 . . . . 10.0 110.172 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -91.46 144.21 3.15 Favored 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 122.469 2.113 . . . . 10.0 112.667 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -112.16 133.25 54.41 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.194 -0.669 . . . . 10.0 109.194 178.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 57.1 mt -130.87 136.58 57.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.697 0.284 . . . . 10.0 111.222 -179.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -86.49 127.24 34.85 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 108.648 -0.871 . . . . 10.0 108.648 178.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 72.1 p -134.22 167.08 21.34 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.653 0.739 . . . . 10.0 112.213 -178.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -163.19 109.85 1.17 Allowed 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.97 -1.013 . . . . 10.0 108.454 177.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 146' ' ' ALA . . . . . 0.444 ' HB3' ' N7 ' ' B' ' 201' ' ' GSP . . . -63.82 -35.9 82.14 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.021 -0.536 . . . . 10.0 111.137 -178.464 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -63.09 -32.7 74.14 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.272 -0.422 . . . . 10.0 111.792 -179.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 1.1 m -101.43 -6.16 24.37 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.966 0.358 . . . . 10.0 111.966 -179.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 149' ' ' ARG . . . . . 0.436 ' O ' ' HG3' ' B' ' 149' ' ' ARG . 12.8 tpt180 61.91 34.96 16.59 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 122.131 0.967 . . . . 10.0 110.171 -179.578 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -107.17 132.93 52.49 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.872 -0.604 . . . . 10.0 111.069 -179.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 79.16 -5.61 58.89 Favored Glycine 0 N--CA 1.452 -0.261 0 CA-C-N 115.955 -0.566 . . . . 10.0 113.721 178.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 152' ' ' VAL . . . . . 0.433 HG21 ' HD2' ' B' ' 149' ' ' ARG . 28.8 t -61.14 -55.75 22.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.903 0.382 . . . . 10.0 110.829 -179.217 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -64.15 -35.57 81.2 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.998 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -63.03 -53.26 56.59 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.995 -0.548 . . . . 10.0 111.514 -179.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -57.69 -46.79 83.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.943 -0.571 . . . . 10.0 112.036 -179.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 156' ' ' PHE . . . . . 0.682 ' HE1' HG12 ' B' ' 55' ' ' ILE . 28.0 m-85 -62.65 -47.9 81.68 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 112.198 0.444 . . . . 10.0 112.198 -179.276 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -63.69 -46.64 84.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.056 0.455 . . . . 10.0 111.113 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 158' ' ' THR . . . . . 0.595 ' HA ' ' HE ' ' B' ' 161' ' ' ARG . 91.1 m -59.63 -38.28 80.9 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 113.073 0.768 . . . . 10.0 113.073 -179.206 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 24.0 tp -60.93 -37.08 81.04 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.948 0.404 . . . . 10.0 110.913 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 49.0 t -69.26 -35.62 68.64 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 CA-C-N 115.898 -0.592 . . . . 10.0 109.837 179.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 161' ' ' ARG . . . . . 0.595 ' HE ' ' HA ' ' B' ' 158' ' ' THR . 0.9 OUTLIER -62.3 -40.23 95.61 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.903 -0.59 . . . . 10.0 110.509 179.183 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -67.08 -34.22 77.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.047 -0.524 . . . . 10.0 111.18 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 73.9 mt -64.68 -46.17 93.12 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.154 0 N-CA-C 109.692 -0.484 . . . . 10.0 109.692 179.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 49.9 mtt85 -64.55 -40.02 94.82 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.466 -0.568 . . . . 10.0 109.466 178.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -60.41 -42.09 95.25 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.11 -0.95 . . . . 10.0 110.776 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 48.7 t-80 -58.88 -46.75 87.09 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.901 0.381 . . . . 10.0 110.906 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -64.19 -35.12 79.75 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.36 -0.382 . . . . 10.0 111.204 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -70.7 -43.72 68.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.28 0.562 . . . . 10.0 109.601 178.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -65.83 -30.4 71.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.363 -0.835 . . . . 10.0 111.073 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 9.3 mmt -68.49 -38.6 81.12 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.922 0.392 . . . . 10.0 111.097 179.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 36.9 m -72.59 -21.58 61.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.066 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 32.6 mtpt -96.06 -23.82 16.61 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.517 -0.31 . . . . 10.0 111.288 179.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 173' ' ' ASP . . . . . . . . . . . . . 20.4 t70 67.05 -75.71 0.06 Allowed 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.468 0.707 . . . . 10.0 111.705 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . -165.71 -71.97 0.03 OUTLIER Glycine 0 N--CA 1.443 -0.856 0 N-CA-C 110.446 -1.062 . . . . 10.0 110.446 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 175' ' ' LYS . . . . . 0.403 ' NZ ' ' O4 ' ' C' ' 215' ' ' 17F . 99.7 mttt -140.93 154.8 46.26 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.444 -0.576 . . . . 10.0 109.444 179.384 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 176' ' ' LYS . . . . . 0.43 ' HZ3' ' H1 ' ' B' ' 210' ' ' 17F . 27.2 mtpp 63.22 85.07 0.14 Allowed 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 113.562 0.949 . . . . 10.0 113.562 178.343 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 177' ' ' LYS . . . . . 0.457 ' HD3' ' HA ' ' B' ' 177' ' ' LYS . 42.3 mmtt -137.57 -123.36 0.14 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.285 -0.416 . . . . 10.0 111.327 178.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 178' ' ' LYS . . . . . 0.501 ' HE3' ' HB2' ' B' ' 178' ' ' LYS . 19.0 mtmt 65.98 35.57 6.35 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 121.136 0.493 . . . . 10.0 110.618 -179.353 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 179' ' ' LYS . . . . . . . . . . . . . 7.0 ttmm -69.35 112.78 6.12 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.404 -0.816 . . . . 10.0 112.414 -178.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 180' ' ' LYS . . . . . 0.601 ' O ' ' H63' ' A' ' 401' ' ' PCW . 64.6 tttm -163.69 104.17 0.93 Allowed 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.746 0.308 . . . . 10.0 111.296 178.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 181' ' ' SER . . . . . 0.497 ' HB2' ' O2P' ' B' ' 204' ' ' PCW . 0.4 OUTLIER -139.84 163.17 33.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.333 -0.394 . . . . 10.0 110.965 179.121 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -145.55 123.9 12.32 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.377 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.23 -57.43 2.12 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.838 0.351 . . . . 10.0 110.456 179.146 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 184' ' ' LYS . . . . . 0.469 ' HB2' ' H4A' ' A' ' 416' ' ' 17F . 98.5 mttt . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.038 -0.528 . . . . 10.0 111.067 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 13.9 m . . . . . 0 CA--C 1.531 0.214 0 CA-C-O 120.635 0.255 . . . . 10.0 111.126 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 2.2 m -78.11 128.74 34.27 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 110.117 -0.327 . . . . 10.0 110.117 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . 0.444 ' HA ' ' HB3' ' C' ' 52' ' ' LEU . 25.9 tt0 -87.96 143.11 27.28 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.38 -0.373 . . . . 10.0 111.379 -179.117 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 4' ' ' TYR . . . . . 0.43 ' CD2' ' HB3' ' C' ' 51' ' ' CYS . 97.0 m-85 -137.09 106.68 6.15 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.514 -0.551 . . . . 10.0 109.514 179.446 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 5' ' ' LYS . . . . . 0.589 ' HA ' ' HB3' ' C' ' 54' ' ' ASP . 36.3 mtmm -88.46 113.22 23.82 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.887 0.375 . . . . 10.0 110.316 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . 0.606 HD12 HG12 ' C' ' 55' ' ' ILE . 0.0 OUTLIER -120.2 126.8 51.53 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.296 -0.411 . . . . 10.0 111.089 -177.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 97.9 t -107.19 124.43 63.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 109.649 -0.5 . . . . 10.0 109.649 179.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.448 HG12 ' HG3' ' C' ' 16' ' ' LYS . 2.9 t -89.32 118.76 35.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.172 0.51 . . . . 10.0 109.687 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 16.2 m -117.39 159.41 17.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.305 -0.407 . . . . 10.0 111.302 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.62 177.27 34.55 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 110.843 -0.903 . . . . 10.0 110.843 -179.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.01 -168.15 1.69 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.905 0.383 . . . . 10.0 111.492 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -81.4 132.81 35.34 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.256 0.55 . . . . 10.0 112.457 -179.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 13' ' ' GLY . . . . . 0.766 ' HA2' H5'1 ' C' ' 201' ' ' GSP . . . 65.13 35.24 91.49 Favored Glycine 0 CA--C 1.517 0.194 0 CA-C-N 115.446 -0.797 . . . . 10.0 114.657 178.35 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 29.6 m -93.2 -8.35 10.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 120.871 0.367 . . . . 10.0 111.686 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . 0.616 ' HA2' ' H8 ' ' C' ' 201' ' ' GSP . . . 93.65 23.01 24.73 Favored Glycine 0 N--CA 1.452 -0.248 0 N-CA-C 110.929 -0.868 . . . . 10.0 110.929 -178.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . 0.448 ' HG3' HG12 ' C' ' 8' ' ' VAL . 35.5 ttmt -60.72 -36.83 79.84 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.073 -0.564 . . . . 10.0 110.897 -179.284 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 17' ' ' SER . . . . . 0.471 ' OG ' ' O3G' ' C' ' 201' ' ' GSP . 31.2 m -91.79 -33.02 15.15 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.211 -0.449 . . . . 10.0 111.364 -179.413 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.15 -46.68 85.26 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.639 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 19' ' ' LEU . . . . . 0.478 ' HG ' ' HB2' ' C' ' 146' ' ' ALA . 32.2 mt -65.04 -47.41 77.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.695 179.008 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 23.6 m -58.8 -45.33 90.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.991 -0.55 . . . . 10.0 111.979 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 91.9 mt -65.12 -32.21 57.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.818 0.342 . . . . 10.0 110.874 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 22' ' ' GLN . . . . . 0.658 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 10.1 mm-40 -68.52 -21.06 64.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.444 -0.344 . . . . 10.0 111.417 179.352 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 4.5 tp -92.72 -36.31 12.99 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.149 0.5 . . . . 10.0 110.417 179.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 24' ' ' ILE . . . . . 0.536 HD11 HD12 ' C' ' 55' ' ' ILE . 50.2 mm -82.58 -68.9 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.073 -0.512 . . . . 10.0 111.36 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 25' ' ' GLN . . . . . 0.417 ' HB3' ' CD2' ' C' ' 27' ' ' HIS . 83.1 mm-40 -78.18 -25.9 47.36 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.064 -0.516 . . . . 10.0 111.251 -179.551 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 26' ' ' ASN . . . . . 0.658 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 48.2 m-80 73.88 38.47 0.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.33 -0.85 . . . . 10.0 112.895 179.165 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 27' ' ' HIS . . . . . 0.417 ' CD2' ' HB3' ' C' ' 25' ' ' GLN . 23.9 p80 -148.07 154.25 39.97 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.123 -0.49 . . . . 10.0 110.306 178.521 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 28' ' ' PHE . . . . . 0.461 ' HB2' ' NE2' ' C' ' 22' ' ' GLN . 69.4 t80 -95.72 134.31 38.8 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.999 0.428 . . . . 10.0 111.609 -178.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 2.5 m -102.51 113.79 40.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.842 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -81.85 -18.61 43.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.109 0.48 . . . . 10.0 110.572 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -83.92 125.91 32.48 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.823 -0.626 . . . . 10.0 109.527 179.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 32' ' ' TYR . . . . . 0.519 ' CD1' H5'2 ' C' ' 201' ' ' GSP . 22.2 t80 -66.44 118.87 10.69 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.255 0.55 . . . . 10.0 111.419 -179.08 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -115.81 105.91 50.76 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.818 -0.628 . . . . 10.0 109.699 179.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 34' ' ' PRO . . . . . 0.57 ' HA ' ' S1G' ' C' ' 201' ' ' GSP . 72.0 Cg_endo -76.28 62.3 6.84 Favored 'Trans proline' 0 CA--C 1.532 0.398 0 C-N-CA 122.959 2.439 . . . . 10.0 112.446 -179.534 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.88 124.79 21.01 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.907 -0.588 . . . . 10.0 111.037 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . 0.707 ' HA ' ' HB2' ' C' ' 59' ' ' ALA . 38.1 mm -82.35 -53.05 12.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 123.455 0.472 . . . . 10.0 110.394 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -154.15 99.44 2.23 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.885 -0.598 . . . . 10.0 110.402 -179.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -118.77 141.15 48.89 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.444 -0.344 . . . . 10.0 110.658 -179.403 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.91 131.67 56.06 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.888 0.375 . . . . 10.0 110.986 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -129.5 138.87 51.62 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.316 -0.402 . . . . 10.0 111.119 -179.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . 0.522 ' HD2' ' OD2' ' C' ' 54' ' ' ASP . 0.9 OUTLIER -116.16 143.17 45.85 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.529 -0.305 . . . . 10.0 110.461 179.825 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 52.0 tttp -152.28 132.23 13.37 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-O 121.007 0.432 . . . . 10.0 110.97 179.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -101.47 111.95 24.35 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.987 -0.746 . . . . 10.0 108.987 179.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 3.7 m -132.23 165.7 31.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.9 0.381 . . . . 10.0 111.245 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 93.6 t -103.04 111.68 33.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 109.547 -0.538 . . . . 10.0 109.547 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 24.1 mt -119.97 120.76 64.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.491 -0.322 . . . . 10.0 110.938 -179.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 47' ' ' ASP . . . . . 0.439 ' OD1' ' HD2' ' C' ' 161' ' ' ARG . 4.0 m-20 62.7 23.57 14.04 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.575 -0.739 . . . . 10.0 112.325 179.448 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.52 8.38 64.1 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.989 -0.624 . . . . 10.0 113.065 179.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -121.66 140.65 52.01 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 110.292 -0.262 . . . . 10.0 110.292 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 56.1 m -78.9 112.73 16.36 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 107.999 -1.111 . . . . 10.0 107.999 178.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 51' ' ' CYS . . . . . 0.43 ' HB3' ' CD2' ' C' ' 4' ' ' TYR . 12.8 m -108.62 135.79 49.28 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 112.767 0.655 . . . . 10.0 112.767 -177.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . 0.444 ' HB3' ' HA ' ' C' ' 3' ' ' GLU . 29.8 tp -99.38 101.88 13.29 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.382 -0.97 . . . . 10.0 108.382 178.295 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 49.2 mt -83.48 122.35 28.42 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 112.678 0.621 . . . . 10.0 112.678 -178.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . 0.589 ' HB3' ' HA ' ' C' ' 5' ' ' LYS . 9.4 t70 -107.85 86.62 2.33 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.077 -1.453 . . . . 10.0 107.077 177.514 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 55' ' ' ILE . . . . . 0.606 HG12 HD12 ' C' ' 6' ' ' LEU . 9.5 mt -85.81 138.36 19.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.809 -0.632 . . . . 10.0 111.97 -176.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 36.3 tp -127.8 112.94 15.33 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.763 179.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -93.8 112.22 24.04 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.07 -0.715 . . . . 10.0 109.07 179.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 33.9 p -102.36 174.25 5.99 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.369 -0.378 . . . . 10.0 111.721 -178.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 59' ' ' ALA . . . . . 0.707 ' HB2' ' HA ' ' C' ' 36' ' ' ILE . . . -96.17 135.49 37.9 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.25 0.548 . . . . 10.0 110.703 179.206 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -106.54 35.77 4.83 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.73 -0.748 . . . . 10.0 111.875 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -97.92 18.16 16.54 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 111.7 0.259 . . . . 10.0 111.7 -179.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 62' ' ' GLU . . . . . 0.58 ' HG3' ' H ' ' C' ' 63' ' ' GLU . 4.1 tp10 62.59 -172.26 0.16 Allowed 'General case' 0 CA--C 1.532 0.256 0 O-C-N 123.25 0.344 . . . . 10.0 111.109 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 63' ' ' GLU . . . . . 0.58 ' H ' ' HG3' ' C' ' 62' ' ' GLU . 26.8 tt0 73.87 2.8 4.31 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 122.963 0.505 . . . . 10.0 111.72 179.511 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 64' ' ' TYR . . . . . 0.753 ' HB3' ' HB3' ' C' ' 67' ' ' MET . 14.4 m-85 -112.63 47.23 1.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.186 0.517 . . . . 10.0 111.123 -179.068 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -44.05 97.84 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.583 -0.735 . . . . 10.0 111.436 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -82.09 -36.45 27.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.21 0.529 . . . . 10.0 110.186 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 67' ' ' MET . . . . . 0.753 ' HB3' ' HB3' ' C' ' 64' ' ' TYR . 19.3 ttt -61.28 -33.91 74.32 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.802 -0.635 . . . . 10.0 110.368 179.34 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 68' ' ' ARG . . . . . 0.462 ' HA ' ' CZ ' ' C' ' 71' ' ' TYR . 1.6 ttp180 -60.19 -48.02 83.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.163 -0.471 . . . . 10.0 110.429 179.552 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.62 -37.52 78.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.859 179.469 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -54.65 -45.3 73.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.182 -0.917 . . . . 10.0 112.545 -179.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 71' ' ' TYR . . . . . 0.462 ' CZ ' ' HA ' ' C' ' 68' ' ' ARG . 15.5 p90 -91.89 -23.18 19.72 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 113.228 0.825 . . . . 10.0 113.228 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 72' ' ' MET . . . . . 0.416 ' HE2' HG13 ' C' ' 100' ' ' ILE . 44.6 mtt -64.3 -27.68 69.2 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.334 0.588 . . . . 10.0 111.459 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 73' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' C' ' 73' ' ' ARG . 32.2 mtm105 -79.95 -14.8 58.33 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.869 -0.605 . . . . 10.0 112.255 -179.544 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 1.8 m -107.0 -41.41 5.18 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.079 0.4 . . . . 10.0 112.079 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -58.46 116.15 8.11 Favored Glycine 0 C--N 1.329 0.184 0 C-N-CA 121.293 -0.48 . . . . 10.0 113.132 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . 0.412 ' HG3' ' HB2' ' C' ' 5' ' ' LYS . 62.6 mt-10 -73.99 -42.88 59.75 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.889 -0.412 . . . . 10.0 109.889 -179.526 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -122.65 143.58 15.43 Favored Glycine 0 N--CA 1.445 -0.715 0 N-CA-C 110.534 -1.027 . . . . 10.0 110.534 179.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 78' ' ' PHE . . . . . 0.437 ' HB2' ' HG2' ' C' ' 111' ' ' MET . 77.8 m-85 -118.41 126.33 51.84 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 117.195 0.497 . . . . 10.0 111.863 -178.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' C' ' 79' ' ' LEU . 11.1 tp -97.53 106.38 18.69 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.812 -0.631 . . . . 10.0 109.694 179.621 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 4.2 m -83.43 88.32 6.99 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.031 0.443 . . . . 10.0 111.02 -179.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 99.0 t -95.92 128.93 46.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.02 -0.536 . . . . 10.0 110.979 -179.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 82' ' ' PHE . . . . . 0.415 ' HB3' HD11 ' C' ' 93' ' ' ILE . 39.3 p90 -138.9 169.62 17.45 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.217 -0.66 . . . . 10.0 109.217 179.091 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 83' ' ' ALA . . . . . 0.42 ' HB3' ' HB3' ' C' ' 86' ' ' ASN . . . -106.9 133.92 50.83 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 110.076 -0.342 . . . . 10.0 110.076 -179.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 84' ' ' ILE . . . . . 0.777 HD12 ' HB3' ' C' ' 123' ' ' ARG . 12.5 pt -66.94 -15.36 19.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 111.819 0.303 . . . . 10.0 111.819 -179.283 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 9.8 p-10 -103.04 9.17 38.69 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.151 0.501 . . . . 10.0 110.103 179.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 86' ' ' ASN . . . . . 0.42 ' HB3' ' HB3' ' C' ' 83' ' ' ALA . 53.5 t-20 -127.97 97.24 4.73 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.455 -0.793 . . . . 10.0 109.588 179.572 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 1.4 m -63.9 -35.93 82.28 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.933 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 23.4 tptp -60.69 -37.23 80.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.88 0.371 . . . . 10.0 111.301 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 95.1 p -68.16 -28.4 67.26 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.681 -0.408 . . . . 10.0 110.482 179.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -76.97 -35.58 57.11 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 109.064 -0.717 . . . . 10.0 109.064 178.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -68.77 -37.11 79.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.657 -0.701 . . . . 10.0 110.23 178.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 92' ' ' ASP . . . . . 0.462 ' HA ' ' HD2' ' C' ' 95' ' ' HIS . 0.2 OUTLIER -66.97 -17.71 65.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.593 -0.73 . . . . 10.0 112.063 -179.08 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 93' ' ' ILE . . . . . 0.415 HD11 ' HB3' ' C' ' 82' ' ' PHE . 49.0 mm -57.95 -42.18 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 N-CA-C 109.75 -0.463 . . . . 10.0 109.75 179.262 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 94' ' ' HIS . . . . . 0.522 ' HD2' ' HG2' ' C' ' 98' ' ' GLU . 4.1 t-160 -65.72 -46.05 80.42 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.61 -0.723 . . . . 10.0 109.441 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 95' ' ' HIS . . . . . 0.462 ' HD2' ' HA ' ' C' ' 92' ' ' ASP . 98.5 m-70 -60.07 -44.06 95.0 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.539 -0.755 . . . . 10.0 111.732 -179.445 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 96' ' ' TYR . . . . . 0.416 ' O ' HG13 ' C' ' 100' ' ' ILE . 4.7 m-85 -65.52 -50.06 66.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.359 -0.382 . . . . 10.0 111.409 179.534 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -56.12 -48.63 75.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.273 -0.421 . . . . 10.0 111.574 -179.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . 0.522 ' HG2' ' HD2' ' C' ' 94' ' ' HIS . 24.5 mm-40 -61.09 -30.83 70.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.213 -0.449 . . . . 10.0 112.191 -179.397 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -75.15 -42.48 55.99 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.027 -0.36 . . . . 10.0 110.027 179.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 100' ' ' ILE . . . . . 0.416 HG13 ' HE2' ' C' ' 72' ' ' MET . 81.2 mt -57.04 -47.39 83.68 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.214 179.531 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -56.35 -39.66 73.21 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.747 -0.66 . . . . 10.0 112.085 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -77.5 -46.94 20.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.656 0.265 . . . . 10.0 111.71 -179.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 68.9 t -63.58 -44.54 98.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.793 0.33 . . . . 10.0 111.601 -179.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 15.8 tttp -82.36 -10.78 58.94 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.537 -0.301 . . . . 10.0 110.988 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 12.2 t70 56.03 50.52 13.59 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.546 -0.752 . . . . 10.0 111.355 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 9.6 t -149.99 157.08 42.79 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 116.143 -0.48 . . . . 10.0 110.925 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -95.18 -29.42 14.54 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.728 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -114.61 111.37 21.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.96 0.409 . . . . 10.0 110.747 -178.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 109' ' ' VAL . . . . . 0.422 ' HA ' ' HD3' ' C' ' 110' ' ' PRO . 59.9 t -127.94 134.66 26.46 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 115.965 -0.561 . . . . 10.0 109.661 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 110' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' C' ' 109' ' ' VAL . 38.6 Cg_exo -61.89 108.5 0.66 Allowed 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.868 2.379 . . . . 10.0 111.654 179.224 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 111' ' ' MET . . . . . 0.437 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 32.3 mtm -138.25 152.19 48.34 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.397 -179.732 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 69.0 t -134.49 128.01 50.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.374 -0.602 . . . . 10.0 109.374 178.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 15.5 tp -83.8 114.22 21.47 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.404 -0.591 . . . . 10.0 109.404 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 60.5 t -117.58 117.84 56.44 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.475 0 CA-C-N 116.136 -0.483 . . . . 10.0 111.207 -178.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -98.85 118.22 6.1 Favored Glycine 0 N--CA 1.448 -0.561 0 N-CA-C 110.516 -1.033 . . . . 10.0 110.516 178.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 116' ' ' ASN . . . . . 0.519 ' ND2' ' HA3' ' C' ' 15' ' ' GLY . 64.9 t30 -100.84 167.48 10.26 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.971 0.385 . . . . 10.0 111.5 -178.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 117' ' ' LYS . . . . . 0.486 ' HB3' HD12 ' C' ' 120' ' ' LEU . 83.6 mttt 64.48 26.8 13.47 Favored 'General case' 0 N--CA 1.461 0.097 0 CA-C-N 115.741 -0.663 . . . . 10.0 111.35 179.678 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 118' ' ' CYS . . . . . 0.645 ' HA ' HD13 ' C' ' 84' ' ' ILE . 59.4 m -64.36 -18.02 64.27 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.952 0.723 . . . . 10.0 112.952 -179.343 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -90.32 2.08 55.89 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.789 0.328 . . . . 10.0 111.804 -179.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 120' ' ' LEU . . . . . 0.486 HD12 ' HB3' ' C' ' 117' ' ' LYS . 17.1 mt -81.58 140.98 48.12 Favored Pre-proline 0 C--O 1.236 0.37 0 CA-C-N 116.383 -0.371 . . . . 10.0 110.459 179.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 121' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' C' ' 120' ' ' LEU . 21.2 Cg_exo -66.85 138.41 48.41 Favored 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 122.788 2.325 . . . . 10.0 113.158 -179.393 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 55.4 m 60.88 92.13 0.05 Allowed 'General case' 0 C--O 1.234 0.265 0 N-CA-C 113.637 0.977 . . . . 10.0 113.637 178.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 123' ' ' ARG . . . . . 0.777 ' HB3' HD12 ' C' ' 84' ' ' ILE . 11.8 ptp180 -89.34 147.2 24.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.013 179.509 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 7.9 p -94.6 -30.31 14.42 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.838 0.351 . . . . 10.0 110.16 178.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 125' ' ' VAL . . . . . 0.501 ' O ' ' HD3' ' C' ' 123' ' ' ARG . 64.4 t -95.43 120.55 44.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.115 179.006 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 126' ' ' ASP . . . . . 0.464 ' O ' ' HG2' ' C' ' 129' ' ' GLN . 0.6 OUTLIER -72.94 140.88 47.74 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.185 179.629 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 1.8 m -63.24 -35.27 79.79 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.749 0.309 . . . . 10.0 110.467 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 128' ' ' LYS . . . . . 0.59 ' HB3' ' HA ' ' B' ' 47' ' ' ASP . 43.1 mtmt -54.86 -54.73 38.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.765 -0.652 . . . . 10.0 111.638 179.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 129' ' ' GLN . . . . . 0.464 ' HG2' ' O ' ' C' ' 126' ' ' ASP . 4.6 pt20 -62.41 -35.2 78.47 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 120.882 0.372 . . . . 10.0 111.826 -179.438 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.4 -41.26 85.21 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.038 0.447 . . . . 10.0 110.271 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -70.83 -39.02 73.25 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.861 -0.608 . . . . 10.0 110.028 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -63.87 -45.3 90.07 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.578 -0.737 . . . . 10.0 110.81 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 37.0 tp -59.83 -44.25 94.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.299 179.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 134' ' ' ALA . . . . . 0.438 ' HB1' ' O ' ' C' ' 139' ' ' ILE . . . -63.27 -37.07 85.79 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.762 -0.654 . . . . 10.0 110.215 179.283 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -61.71 -45.87 92.09 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.762 -0.653 . . . . 10.0 111.155 179.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 14.7 m -69.08 -35.9 77.03 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.124 -0.489 . . . . 10.0 111.509 -179.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -78.28 -18.33 55.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.438 -0.346 . . . . 10.0 111.563 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 78.87 21.43 68.46 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 121.027 -0.606 . . . . 10.0 112.157 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 139' ' ' ILE . . . . . 0.438 ' O ' ' HB1' ' C' ' 134' ' ' ALA . 44.9 pt -115.59 154.9 47.89 Favored Pre-proline 0 C--N 1.324 -0.518 0 N-CA-C 110.394 -0.225 . . . . 10.0 110.394 -179.513 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -77.62 148.29 25.81 Favored 'Trans proline' 0 C--O 1.233 0.267 0 C-N-CA 122.572 2.182 . . . . 10.0 113.122 -179.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -120.7 127.66 52.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.709 -0.678 . . . . 10.0 109.641 178.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 54.3 mt -130.96 130.97 64.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.864 0.364 . . . . 10.0 111.305 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -84.41 131.01 34.72 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.418 -0.956 . . . . 10.0 108.418 177.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 144' ' ' THR . . . . . 0.406 HG22 ' HA3' ' C' ' 151' ' ' GLY . 43.7 p -133.14 172.57 12.48 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.685 0.755 . . . . 10.0 112.35 -178.277 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 10.0 t -153.39 116.56 4.59 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.002 -0.999 . . . . 10.0 108.341 178.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 146' ' ' ALA . . . . . 0.632 ' HB3' ' N7 ' ' C' ' 201' ' ' GSP . . . -76.13 -29.99 58.04 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.236 -0.653 . . . . 10.0 109.236 179.505 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 147' ' ' LYS . . . . . 0.478 ' HB2' ' N1 ' ' C' ' 201' ' ' GSP . 75.7 tttt -65.12 -44.07 89.94 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 114.792 -1.095 . . . . 10.0 111.64 179.631 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.46 -0.97 34.29 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.062 0.393 . . . . 10.0 112.062 -179.053 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 149' ' ' ARG . . . . . 0.474 ' HG3' ' HB3' ' C' ' 22' ' ' GLN . 20.4 ttt-85 56.71 49.23 14.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.283 0.563 . . . . 10.0 112.118 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -115.26 128.78 56.36 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.582 -0.735 . . . . 10.0 110.652 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 151' ' ' GLY . . . . . 0.406 ' HA3' HG22 ' C' ' 144' ' ' THR . . . 86.21 -1.1 87.59 Favored Glycine 0 CA--C 1.516 0.12 0 CA-C-N 116.042 -0.526 . . . . 10.0 113.55 178.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 152' ' ' VAL . . . . . 0.409 ' H ' HG23 ' C' ' 152' ' ' VAL . 3.2 t -63.43 -56.81 14.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.887 0.375 . . . . 10.0 111.306 -178.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -60.08 -41.99 93.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.645 -0.707 . . . . 10.0 110.312 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -62.09 -47.35 85.02 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.976 -0.556 . . . . 10.0 112.163 -179.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -57.0 -53.91 52.7 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.284 -0.416 . . . . 10.0 111.648 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -62.08 -43.8 98.06 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.088 -0.505 . . . . 10.0 111.78 -179.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -63.84 -44.12 94.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.963 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 158' ' ' THR . . . . . 0.671 ' HA ' ' HE ' ' C' ' 161' ' ' ARG . 55.5 m -60.08 -39.18 85.19 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.614 0.598 . . . . 10.0 112.614 -179.435 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 44.7 tp -58.47 -35.26 71.91 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.898 0.38 . . . . 10.0 110.704 179.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 62.2 t -64.61 -39.02 84.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.145 179.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 161' ' ' ARG . . . . . 0.671 ' HE ' ' HA ' ' C' ' 158' ' ' THR . 0.1 OUTLIER -62.27 -39.98 94.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.95 -0.568 . . . . 10.0 109.96 179.04 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -68.26 -31.16 70.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.676 -0.693 . . . . 10.0 111.147 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 95.6 mt -67.1 -44.86 87.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 N-CA-C 109.534 -0.543 . . . . 10.0 109.534 178.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 37.5 mtt85 -67.53 -38.45 84.25 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.561 -0.533 . . . . 10.0 109.561 178.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -59.57 -38.81 82.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.268 -0.878 . . . . 10.0 109.771 179.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -65.01 -47.96 75.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.323 -0.853 . . . . 10.0 110.418 179.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -61.37 -41.96 97.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.944 -0.571 . . . . 10.0 111.036 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -65.41 -46.5 79.77 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.0 -0.545 . . . . 10.0 110.527 179.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 21.7 tttt -62.97 -39.31 94.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.109 -0.496 . . . . 10.0 111.022 -179.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 62.9 mmm -72.26 -30.44 64.85 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.359 -0.382 . . . . 10.0 111.756 -179.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 75.4 m -65.96 -23.27 66.56 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.339 0.496 . . . . 10.0 112.339 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 59.8 mtpt -117.86 -4.96 11.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.409 -0.359 . . . . 10.0 110.778 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 173' ' ' ASP . . . . . 0.507 ' OD1' ' HE2' ' C' ' 176' ' ' LYS . 19.1 t70 51.84 51.51 16.4 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.722 0.772 . . . . 10.0 110.745 -178.563 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . 77.65 -93.39 1.14 Allowed Glycine 0 N--CA 1.443 -0.861 0 CA-C-N 115.067 -0.97 . . . . 10.0 110.914 -178.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 175' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -128.56 27.92 5.48 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 111.744 0.276 . . . . 10.0 111.744 179.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 176' ' ' LYS . . . . . 0.507 ' HE2' ' OD1' ' C' ' 173' ' ' ASP . 12.3 ttmm -83.64 38.63 0.64 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.38 0.61 . . . . 10.0 111.058 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 177' ' ' LYS . . . . . . . . . . . . . 23.1 mmtm -145.49 24.7 1.39 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.377 0.608 . . . . 10.0 110.664 179.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 178' ' ' LYS . . . . . 0.452 ' HB2' ' O1 ' ' C' ' 215' ' ' 17F . 26.2 mtpp -87.17 61.0 6.48 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.045 -0.525 . . . . 10.0 111.762 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 179' ' ' LYS . . . . . 0.574 ' HE2' ' C1 ' ' C' ' 212' ' ' PCW . 8.0 mmmt -119.22 72.95 0.92 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.637 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 180' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -88.69 118.77 28.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.591 -0.277 . . . . 10.0 110.609 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 181' ' ' SER . . . . . 0.587 ' HB2' H332 ' C' ' 207' ' ' PCW . 68.9 m -145.16 -11.59 0.55 Allowed 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.765 0.654 . . . . 10.0 112.765 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 182' ' ' LYS . . . . . 0.595 ' HE2' H351 ' C' ' 207' ' ' PCW . 12.5 ttmm -170.25 122.48 0.66 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.509 0.195 . . . . 10.0 110.592 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 6.1 m -83.66 -54.72 4.72 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.839 0.352 . . . . 10.0 110.866 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 184' ' ' LYS . . . . . 0.512 ' HA ' ' H73' ' C' ' 207' ' ' PCW . 55.2 mtmt . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.47 -0.332 . . . . 10.0 110.503 -179.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 401' ' ' PCW . . . . . 0.968 H322 H382 ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 402' ' ' PCW . . . . . 0.98 H411 H361 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 403' ' ' PCW . . . . . 1.199 ' C31' H362 ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 404' ' ' PCW . . . . . 1.089 H182 H221 ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 405' ' ' PCW . . . . . 0.87 H361 ' C44' ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 406' ' ' PCW . . . . . 1.104 H471 ' H58' ' B' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 407' ' ' PCW . . . . . 1.095 H212 ' C16' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 408' ' ' PCW . . . . . 1.014 H271 H462 ' D' ' 619' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 409' ' ' PCW . . . . . 1.19 ' C19' H142 ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 410' ' ' PCW . . . . . 1.076 H122 H152 ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 411' ' ' PCW . . . . . 1.012 H283 H222 ' C' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 412' ' ' PCW . . . . . 1.05 H432 H462 ' A' ' 410' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 413' ' ' PCW . . . . . 1.059 H451 H232 ' C' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 414' ' ' PCW . . . . . 1.124 H141 ' H62' ' A' ' 415' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 415' ' ' 17F . . . . . 1.124 ' H62' H141 ' A' ' 414' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 416' ' ' 17F . . . . . 0.596 ' O9 ' ' H20' ' A' ' 416' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 417' ' ' PCW . . . . . 0.911 H472 H251 ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 418' ' ' PCW . . . . . 1.072 H341 ' C13' ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 419' ' ' PCW . . . . . 1.008 H251 H412 ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 420' ' ' PCW . . . . . 1.087 H362 H412 ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 421' ' ' PCW . . . . . 0.957 H351 H151 ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 422' ' ' 17F . . . . . 1.076 ' H62' H421 ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 601' ' ' PCW . . . . . 0.985 H371 H121 ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 602' ' ' PCW . . . . . 1.045 H172 H212 ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 603' ' ' PCW . . . . . 0.927 H412 H371 ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 604' ' ' PCW . . . . . 1.114 ' H41' ' H31' ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 605' ' ' PCW . . . . . 0.936 ' C18' H362 ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 606' ' ' PCW . . . . . 1.054 H172 H212 ' D' ' 606' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 607' ' ' PCW . . . . . 1.091 H431 H472 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 608' ' ' PCW . . . . . 1.042 H181 ' H11' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 609' ' ' PCW . . . . . 1.057 H442 H472 ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 610' ' ' PCW . . . . . 1.053 ' H63' ' H6A' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 611' ' ' PCW . . . . . 0.973 H483 H242 ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 612' ' ' PCW . . . . . 1.037 ' H63' H321 ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 613' ' ' PCW . . . . . 1.072 ' C13' H341 ' A' ' 418' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 614' ' ' PCW . . . . . 0.936 H362 ' C18' ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 615' ' ' PCW . . . . . 0.974 H461 H421 ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 616' ' ' PCW . . . . . 1.057 H472 H442 ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 617' ' ' PCW . . . . . 1.096 H483 H221 ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 618' ' ' PCW . . . . . 1.119 ' H41' ' H2 ' ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 619' ' ' PCW . . . . . 1.071 H132 H321 ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 620' ' ' PCW . . . . . 1.021 H482 H222 ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 621' ' ' PCW . . . . . 1.032 H141 ' O9 ' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 622' ' ' PCW . . . . . 1.076 H421 ' H62' ' A' ' 422' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 623' ' ' PCW . . . . . 1.108 H322 ' C36' ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 624' ' ' PCW . . . . . 1.013 H242 H242 ' C' ' 217' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 625' ' ' PCW . . . . . 1.046 H412 H412 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 626' ' ' PCW . . . . . 1.091 H472 H431 ' D' ' 607' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 627' ' ' PCW . . . . . 1.061 H142 H151 ' D' ' 619' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 628' ' ' 17F . . . . . 0.993 ' H57' H19A ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 629' ' ' 17F . . . . . 1.042 ' H11' H181 ' D' ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 630' ' ' 17F . . . . . 0.869 ' H57' H162 ' A' ' 421' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 631' ' ' 17F . . . . . 1.053 ' H6A' ' H63' ' D' ' 610' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 632' ' ' 17F . . . . . 1.036 ' H55' ' H39' ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 201' ' ' GSP . . . . . 0.61 ' O2B' ' HG2' ' B' ' 16' ' ' LYS . . . . . . . . 0 O4'--C1' 1.437 1.89 1 O4'-C1'-N19 113.165 4.965 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 202' ' ' ' MG' . . . . . 0.596 'MG ' ' O3G' ' B' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 203' ' ' PCW . . . . . 1.054 ' H51' H331 ' C' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 204' ' ' PCW . . . . . 1.008 H231 H272 ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 205' ' ' PCW . . . . . 1.096 H221 H483 ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 206' ' ' PCW . . . . . 1.037 H341 H322 ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 207' ' ' PCW . . . . . 1.042 ' H41' ' H31' ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 208' ' ' PCW . . . . . 1.024 H481 H161 ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 209' ' ' 17F . . . . . 1.039 ' H18' H211 ' B' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 210' ' ' 17F . . . . . 1.032 H20A ' H2 ' ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 211' ' ' 17F . . . . . 1.104 ' H58' H471 ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 201' ' ' GSP . . . . . 0.766 H5'1 ' HA2' ' C' ' 13' ' ' GLY . . . . . . . . 0 O4'--C1' 1.439 2.094 2 O4'-C1'-N19 112.663 4.463 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 202' ' ' ' MG' . . . . . 0.625 'MG ' ' O3G' ' C' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 203' ' ' PCW . . . . . 1.07 H132 H171 ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 204' ' ' PCW . . . . . 1.055 ' H39' ' H47' ' B' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 205' ' ' PCW . . . . . 0.998 ' H32' H152 ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 206' ' ' PCW . . . . . 1.084 H182 H172 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 207' ' ' PCW . . . . . 1.076 H152 H122 ' A' ' 410' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 208' ' ' PCW . . . . . 1.084 H172 H182 ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 209' ' ' PCW . . . . . 1.061 ' O4P' ' H32' ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 210' ' ' PCW . . . . . 1.059 H232 H451 ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 211' ' ' PCW . . . . . 1.054 H331 ' H51' ' B' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 212' ' ' PCW . . . . . 1.035 H422 ' H40' ' C' ' 215' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 213' ' ' 17F . . . . . 0.854 ' O6 ' ' H62' ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 214' ' ' 17F . . . . . 0.963 ' H37' ' H52' ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 215' ' ' 17F . . . . . 1.035 ' H40' H422 ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 216' ' ' PCW . . . . . 1.031 H152 H162 ' C' ' 217' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 217' ' ' PCW . . . . . 1.122 H141 ' H32' ' C' ' 219' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 218' ' ' 17F . . . . . 0.992 ' H68' ' H11' ' A' ' 422' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 219' ' ' 17F . . . . . 1.122 ' H32' H141 ' C' ' 217' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 32.0 mt . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.685 0.279 . . . . 10.0 110.68 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 8.2 tmtm? -63.93 -44.91 91.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.037 -0.529 . . . . 10.0 111.437 -179.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 86.4 mt -68.01 -36.42 79.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.92 0.391 . . . . 10.0 110.791 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 54.2 mt -69.78 -39.79 76.42 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.656 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -68.97 -44.34 73.12 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.721 -0.672 . . . . 10.0 110.663 179.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -73.94 -14.22 61.01 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.037 -0.529 . . . . 10.0 111.912 -179.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 21.3 t90 -69.51 -32.62 71.59 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 108.806 -0.813 . . . . 10.0 108.806 178.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -62.57 -40.7 97.72 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.371 -0.831 . . . . 10.0 110.478 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.38 -40.75 91.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.773 -0.649 . . . . 10.0 110.354 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 39.0 t -70.59 -40.03 76.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.041 178.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 26.5 m -59.76 -46.1 90.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.702 -0.681 . . . . 10.0 111.637 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 2.7 p -65.86 -45.03 83.64 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.049 0.452 . . . . 10.0 110.238 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 213' ' ' THR . . . . . 0.623 ' O ' ' HG ' ' A' ' 217' ' ' LEU . 39.2 m -58.23 -46.27 86.2 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.05 178.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 214' ' ' PHE . . . . . 0.801 ' HZ ' H162 ' A' ' 405' ' ' PCW . 0.2 OUTLIER -59.8 -40.35 88.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.573 179.273 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 14.2 m -62.65 -46.59 87.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.227 -0.442 . . . . 10.0 109.991 179.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 40.5 mmtt -60.86 -41.51 96.05 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.965 -0.562 . . . . 10.0 109.885 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 217' ' ' LEU . . . . . 0.623 ' HG ' ' O ' ' A' ' 213' ' ' THR . 88.9 mt -64.15 -42.58 96.71 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.3 179.262 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 24.4 ttm180 -65.78 -40.32 91.88 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.312 -0.403 . . . . 10.0 110.676 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -66.48 -27.94 68.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.014 0.435 . . . . 10.0 110.356 178.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -82.63 -28.93 30.42 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.74 -0.664 . . . . 10.0 109.411 178.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 221' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 221' ' ' LEU . 13.9 mt -55.86 -41.58 74.58 Favored 'General case' 0 C--O 1.225 -0.196 0 CA-C-N 116.264 -0.425 . . . . 10.0 111.58 179.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -53.21 -67.84 1.93 Allowed Glycine 0 CA--C 1.518 0.263 0 N-CA-C 111.435 -0.666 . . . . 10.0 111.435 179.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -51.73 -44.9 41.54 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.996 2.464 . . . . 10.0 111.371 178.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 224' ' ' VAL . . . . . 0.634 HG22 ' HD3' ' D' ' 550' ' ' LYS . 25.0 t -55.43 -48.76 76.64 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-O 120.636 0.255 . . . . 10.0 110.694 179.316 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . 0.444 ' O ' ' HB2' ' A' ' 229' ' ' TRP . 30.4 m -62.6 -44.67 95.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.068 -0.515 . . . . 10.0 109.971 179.541 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -61.72 -51.72 67.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.329 -0.396 . . . . 10.0 111.241 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -60.31 -47.36 86.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.921 -0.581 . . . . 10.0 111.257 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -64.68 -43.12 94.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.342 -0.39 . . . . 10.0 110.947 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 229' ' ' TRP . . . . . 0.444 ' HB2' ' O ' ' A' ' 225' ' ' THR . 1.1 m-90 -65.6 -37.01 85.41 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 116.272 -0.422 . . . . 10.0 111.46 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -59.35 -44.65 92.64 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.34 -0.615 . . . . 10.0 109.34 178.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 231' ' ' ASN . . . . . 0.688 ' HA ' ' HE2' ' A' ' 234' ' ' LYS . 78.6 m-20 -69.22 -34.61 75.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.483 -0.781 . . . . 10.0 109.611 178.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 41.9 mt -67.42 -32.8 73.93 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.976 -0.556 . . . . 10.0 109.522 178.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 233' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 229' ' ' TRP . 13.5 mm-40 -65.58 -42.96 91.15 Favored 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 109.048 -0.723 . . . . 10.0 109.048 178.059 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 234' ' ' LYS . . . . . 0.688 ' HE2' ' HA ' ' A' ' 231' ' ' ASN . 13.0 mtmt -69.09 -32.4 71.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.745 -0.661 . . . . 10.0 109.26 178.429 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.5 -48.48 66.98 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 115.733 -0.667 . . . . 10.0 109.892 178.753 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 2.5 p -67.18 -40.65 86.58 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.051 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -59.01 -44.67 91.72 Favored 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 109.622 -0.51 . . . . 10.0 109.622 178.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -59.22 -46.4 93.88 Favored Glycine 0 N--CA 1.448 -0.502 0 N-CA-C 110.7 -0.96 . . . . 10.0 110.7 178.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 239' ' ' LEU . . . . . 0.567 ' HA ' ' HB2' ' A' ' 242' ' ' GLU . 14.5 mt -68.37 -27.51 66.3 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.686 0.279 . . . . 10.0 111.691 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -68.96 -38.02 79.16 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.246 0.546 . . . . 10.0 109.689 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -75.88 -36.22 59.58 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.413 -0.958 . . . . 10.0 108.413 177.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 242' ' ' GLU . . . . . 0.567 ' HB2' ' HA ' ' A' ' 239' ' ' LEU . 1.1 mt-10 -64.13 -37.95 89.31 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 115.046 -0.979 . . . . 10.0 109.962 178.26 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 243' ' ' MET . . . . . 0.653 ' HG3' HD12 ' A' ' 247' ' ' LEU . 48.7 ttm -55.84 -36.59 67.69 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.699 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 2.3 m -68.52 0.89 3.54 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.848 -0.615 . . . . 10.0 111.745 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -133.3 -56.09 0.91 Allowed 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.136 179.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 246' ' ' ASP . . . . . 0.595 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 17.4 t70 -55.94 -41.5 74.74 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.706 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 247' ' ' LEU . . . . . 0.653 HD12 ' HG3' ' A' ' 243' ' ' MET . 17.4 mt -98.44 -40.76 8.12 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.151 0.426 . . . . 10.0 112.151 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -61.95 -43.93 97.81 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.934 -0.306 . . . . 10.0 111.614 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -68.36 -34.44 76.08 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.953 -0.299 . . . . 10.0 111.043 179.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 250' ' ' VAL . . . . . 0.789 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 0.8 OUTLIER -66.96 -22.29 29.34 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.513 0 C-N-CA 120.681 -0.408 . . . . 10.0 110.668 179.768 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . 0.5 ' HG3' ' O ' ' A' ' 247' ' ' LEU . 82.3 mttt -86.47 -46.61 10.04 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.371 -0.603 . . . . 10.0 109.371 178.174 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -64.14 -37.35 87.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.978 -0.555 . . . . 10.0 110.967 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -86.36 -15.65 39.82 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.213 -0.449 . . . . 10.0 111.464 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 254' ' ' VAL . . . . . 0.789 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.3 OUTLIER -67.99 -25.69 32.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.654 -0.418 . . . . 10.0 110.727 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 255' ' ' GLN . . . . . 0.587 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 31.2 mt-30 -60.28 -62.2 6.41 Favored Pre-proline 0 N--CA 1.452 -0.336 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.513 179.384 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 256' ' ' PRO . . . . . 0.587 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 38.3 Cg_endo -68.35 -28.91 32.54 Favored 'Trans proline' 0 C--N 1.356 0.921 0 C-N-CA 121.62 1.546 . . . . 10.0 111.68 178.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 6.7 m-30 -65.81 -54.59 24.85 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-O 120.87 0.367 . . . . 10.0 110.678 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 258' ' ' LEU . . . . . 0.564 ' HG ' HG22 ' A' ' 254' ' ' VAL . 62.6 mt -66.7 -35.04 79.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.371 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -63.47 -46.76 84.72 Favored 'General case' 0 CA--C 1.517 -0.324 0 O-C-N 123.41 0.444 . . . . 10.0 110.036 178.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -56.58 -53.29 59.31 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.187 179.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -63.41 -41.65 98.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.569 -0.742 . . . . 10.0 111.467 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.54 -40.98 85.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.537 0.208 . . . . 10.0 111.101 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.32 -44.99 95.22 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.08 -0.711 . . . . 10.0 109.08 179.302 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 264' ' ' LYS . . . . . 0.595 ' NZ ' ' HB2' ' D' ' 513' ' ' ALA . 78.2 mttt -68.4 -36.6 79.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.689 -0.687 . . . . 10.0 109.755 178.461 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -63.12 -39.09 93.66 Favored 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 109.585 -0.524 . . . . 10.0 109.585 178.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -59.58 -49.47 77.65 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 108.883 -0.784 . . . . 10.0 108.883 178.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -64.25 -41.16 97.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.656 -0.702 . . . . 10.0 110.39 179.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 268' ' ' GLU . . . . . 0.471 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 4.9 mt-10 -60.87 -44.31 97.23 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.951 -0.388 . . . . 10.0 109.951 178.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 90.9 mmm -68.17 -42.73 79.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.947 -0.57 . . . . 10.0 110.063 179.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -60.77 -50.22 74.33 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 116.227 -0.442 . . . . 10.0 109.843 179.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 271' ' ' LEU . . . . . 0.49 ' O ' ' HD3' ' A' ' 275' ' ' LYS . 39.0 mt -60.28 -39.18 85.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.064 -0.517 . . . . 10.0 109.89 178.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 272' ' ' TYR . . . . . 0.422 ' HD1' ' HA ' ' A' ' 272' ' ' TYR . 0.5 OUTLIER -63.23 -50.87 68.51 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.174 -0.466 . . . . 10.0 109.948 178.644 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 61.0 mtt85 -63.59 -38.57 91.63 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.62 -0.264 . . . . 10.0 110.985 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 44.4 mm-40 -63.9 -25.81 68.32 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.646 179.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 275' ' ' LYS . . . . . 0.622 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 11.1 mptt -93.33 -30.69 15.0 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.963 -0.562 . . . . 10.0 109.855 178.46 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 276' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 272' ' ' TYR . 4.2 t -55.59 -45.42 78.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 10.0 111.746 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 277' ' ' GLU . . . . . 0.405 ' HB2' ' CD ' ' A' ' 278' ' ' PRO . 12.7 mt-10 -58.87 -61.14 8.36 Favored Pre-proline 0 C--O 1.234 0.262 0 N-CA-C 112.729 0.64 . . . . 10.0 112.729 -179.509 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 278' ' ' PRO . . . . . 0.405 ' CD ' ' HB2' ' A' ' 277' ' ' GLU . 20.4 Cg_endo -60.89 -42.38 38.09 Favored 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 122.026 1.817 . . . . 10.0 112.347 179.35 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 279' ' ' LEU . . . . . 0.756 HD22 ' HE3' ' D' ' 495' ' ' LYS . 20.0 mt -63.36 -41.61 98.84 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 121.007 -0.277 . . . . 10.0 110.875 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -62.21 -42.05 98.94 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 109.397 -0.594 . . . . 10.0 109.397 178.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -62.88 -46.84 85.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.804 -0.634 . . . . 10.0 110.038 179.193 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -59.08 -48.53 81.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.195 179.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 94.1 mt -62.86 -39.04 93.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.593 -0.731 . . . . 10.0 110.577 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -64.22 -50.36 68.32 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.677 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -62.09 -41.62 98.38 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.207 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -64.21 -47.22 87.15 Favored Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 110.767 -0.933 . . . . 10.0 110.767 178.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -58.58 -40.65 83.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.601 0.239 . . . . 10.0 110.42 179.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -56.59 -46.82 80.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.477 179.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 11.0 tm0? -72.43 -49.2 35.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.86 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -57.6 -43.38 84.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.09 -0.504 . . . . 10.0 112.128 -179.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 92.3 mt -72.84 -38.39 67.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.641 -0.254 . . . . 10.0 111.126 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 24.0 t-80 -65.06 -36.93 85.9 Favored 'General case' 0 CA--C 1.521 -0.155 0 N-CA-C 108.663 -0.866 . . . . 10.0 108.663 178.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -60.88 -36.2 78.59 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 115.235 -0.893 . . . . 10.0 109.006 178.18 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 13.4 mt -71.04 -42.42 69.52 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 115.503 -0.771 . . . . 10.0 109.853 178.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 295' ' ' GLN . . . . . 0.457 ' HA ' ' HB2' ' A' ' 298' ' ' LEU . 66.3 mt-30 -62.43 -30.89 71.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.376 179.371 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -67.5 -9.32 41.19 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.792 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . 0.565 ' HB3' HD12 ' A' ' 301' ' ' LEU . 58.7 mmtt -112.74 -37.8 4.76 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.617 -0.883 . . . . 10.0 108.617 178.117 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 298' ' ' LEU . . . . . 0.542 ' O ' ' HA3' ' A' ' 302' ' ' GLY . 43.6 mt -57.69 -32.17 67.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.524 -0.762 . . . . 10.0 111.978 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 299' ' ' SER . . . . . 0.844 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 1.1 m -87.31 -67.3 0.16 Allowed Pre-proline 0 CA--C 1.537 0.461 0 N-CA-C 112.137 0.421 . . . . 10.0 112.137 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 300' ' ' PRO . . . . . 0.844 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 43.4 Cg_exo -59.6 -55.85 1.55 Allowed 'Trans proline' 0 C--N 1.355 0.887 0 C-N-CA 122.28 1.987 . . . . 10.0 112.63 -179.606 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 301' ' ' LEU . . . . . 0.565 HD12 ' HB3' ' A' ' 297' ' ' LYS . 88.9 mt -73.87 -21.24 60.17 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.06 0.457 . . . . 10.0 110.385 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 302' ' ' GLY . . . . . 0.542 ' HA3' ' O ' ' A' ' 298' ' ' LEU . . . -70.53 -52.58 15.71 Favored Glycine 0 N--CA 1.443 -0.852 0 N-CA-C 111.017 -0.833 . . . . 10.0 111.017 178.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -65.33 -34.57 78.64 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.675 -0.491 . . . . 10.0 109.675 178.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -63.02 -41.33 99.52 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.603 -0.726 . . . . 10.0 109.479 178.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 7.4 tpt -66.04 -42.76 89.12 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.659 -0.7 . . . . 10.0 109.513 178.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 306' ' ' ARG . . . . . 0.48 ' O ' ' HG3' ' A' ' 310' ' ' ARG . 70.4 mtt180 -59.51 -44.67 93.07 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.299 178.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 307' ' ' ASP . . . . . 0.506 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 27.6 t70 -65.97 -41.87 90.6 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.828 179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 308' ' ' ARG . . . . . 0.656 ' HG3' HD21 ' D' ' 469' ' ' LEU . 19.8 mmt180 -65.48 -31.98 73.35 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.258 -0.645 . . . . 10.0 109.258 178.411 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 309' ' ' ALA . . . . . 0.52 ' HA ' ' HB2' ' A' ' 312' ' ' HIS . . . -68.43 -35.88 78.24 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 108.906 -0.776 . . . . 10.0 108.906 178.265 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 310' ' ' ARG . . . . . 0.506 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 75.9 mtt180 -58.71 -42.77 89.41 Favored 'General case' 0 CA--C 1.516 -0.335 0 N-CA-C 108.998 -0.741 . . . . 10.0 108.998 177.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -71.34 -38.81 71.61 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.663 -0.699 . . . . 10.0 109.557 178.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 312' ' ' HIS . . . . . 0.52 ' HB2' ' HA ' ' A' ' 309' ' ' ALA . 0.1 OUTLIER -54.9 -51.26 66.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.437 -0.801 . . . . 10.0 109.521 178.443 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 313' ' ' VAL . . . . . 0.583 ' HA ' HD12 ' A' ' 316' ' ' LEU . 21.1 t -76.68 -29.72 18.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.541 -0.754 . . . . 10.0 111.522 -179.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -63.03 -48.51 78.46 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.548 -0.538 . . . . 10.0 109.548 179.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -59.38 -36.81 76.48 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.011 -0.737 . . . . 10.0 109.011 178.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 316' ' ' LEU . . . . . 0.583 HD12 ' HA ' ' A' ' 313' ' ' VAL . 44.8 mt -66.12 -53.49 37.24 Favored 'General case' 0 C--O 1.219 -0.548 0 CA-C-N 115.32 -0.855 . . . . 10.0 109.38 178.512 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 17.5 mtm105 -56.09 -43.13 77.75 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.184 0.439 . . . . 10.0 112.184 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 2.0 m -69.88 -23.1 63.2 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.01 0.374 . . . . 10.0 112.01 -179.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 7.9 m170 -97.56 -41.7 8.03 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 111.779 0.288 . . . . 10.0 111.779 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 93.3 mt -64.17 -33.57 76.1 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.917 0.34 . . . . 10.0 111.917 -179.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 321' ' ' ALA . . . . . 0.404 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -55.94 -62.47 4.62 Favored Pre-proline 0 CA--C 1.535 0.392 0 C-N-CA 121.079 -0.248 . . . . 10.0 111.497 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . 0.404 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 28.6 Cg_endo -66.12 -33.44 40.53 Favored 'Trans proline' 0 C--N 1.354 0.834 0 C-N-CA 121.393 1.396 . . . . 10.0 111.125 178.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 323' ' ' TYR . . . . . 0.429 ' O ' ' HG ' ' A' ' 327' ' ' LEU . 10.0 m-30 -61.78 -47.72 83.91 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.553 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 324' ' ' SER . . . . . 0.458 ' HA ' HD12 ' A' ' 327' ' ' LEU . 25.0 p -66.53 -37.74 85.67 Favored 'General case' 0 CA--C 1.517 -0.301 0 O-C-N 123.279 0.362 . . . . 10.0 110.338 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 325' ' ' ASP . . . . . 0.805 ' HA ' ' HD2' ' A' ' 328' ' ' ARG . 8.1 t0 -64.35 -39.11 93.23 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.247 0.546 . . . . 10.0 109.668 179.128 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -70.67 -30.6 67.23 Favored 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 108.906 -0.775 . . . . 10.0 108.906 177.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . 0.695 HD23 ' HD2' ' A' ' 330' ' ' ARG . 67.9 mt -69.77 -32.28 70.7 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 108.672 -0.862 . . . . 10.0 108.672 178.121 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 328' ' ' ARG . . . . . 0.805 ' HD2' ' HA ' ' A' ' 325' ' ' ASP . 83.1 mtt180 -63.37 -38.66 92.0 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 108.701 -0.852 . . . . 10.0 108.701 177.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -66.55 -41.44 88.69 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 108.709 -0.849 . . . . 10.0 108.709 177.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 330' ' ' ARG . . . . . 0.866 HH21 ' HB3' ' D' ' 447' ' ' GLU . 34.3 mtt180 -59.41 -49.53 77.45 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 115.533 -0.758 . . . . 10.0 109.873 178.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 25.0 mt -56.96 -44.95 83.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.681 -0.69 . . . . 10.0 110.233 179.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 332' ' ' ALA . . . . . 0.473 ' O ' ' HB2' ' A' ' 336' ' ' GLU . . . -63.31 -42.7 99.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.607 179.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -66.45 -48.78 68.84 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.791 179.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 28.4 mmt180 -60.82 -51.69 68.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.855 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 335' ' ' LEU . . . . . 0.576 ' O ' ' HB2' ' A' ' 339' ' ' LYS . 35.7 mt -64.05 -37.88 89.05 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.152 0.427 . . . . 10.0 112.152 -179.237 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . 0.473 ' HB2' ' O ' ' A' ' 332' ' ' ALA . 11.2 tt0 -65.61 -44.14 87.46 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.765 -0.374 . . . . 10.0 110.543 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -65.83 -45.04 83.72 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 109.937 -0.394 . . . . 10.0 109.937 179.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 89.9 mt -72.06 -11.63 60.84 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.85 -0.614 . . . . 10.0 111.697 179.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 339' ' ' LYS . . . . . 0.576 ' HB2' ' O ' ' A' ' 335' ' ' LEU . 46.9 tttt -89.16 -45.94 9.19 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.924 0.393 . . . . 10.0 110.098 179.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -66.15 -48.16 71.7 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 108.831 -0.803 . . . . 10.0 108.831 178.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 341' ' ' ASN . . . . . 0.412 ' O ' ' HG3' ' A' ' 345' ' ' ARG . 15.2 t-20 -70.31 -35.77 73.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.347 -0.842 . . . . 10.0 109.045 178.342 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -62.12 -45.54 95.85 Favored Glycine 0 N--CA 1.448 -0.538 0 CA-C-N 115.681 -0.69 . . . . 10.0 111.78 179.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -62.83 -37.88 95.59 Favored Glycine 0 N--CA 1.445 -0.715 0 N-CA-C 110.58 -1.008 . . . . 10.0 110.58 178.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 344' ' ' ALA . . . . . 0.505 ' O ' ' HB2' ' A' ' 348' ' ' GLU . . . -64.95 -43.2 93.46 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 109.685 -0.487 . . . . 10.0 109.685 178.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 345' ' ' ARG . . . . . 0.483 ' HG2' ' OD1' ' D' ' 429' ' ' ASN . 49.9 mtm180 -63.52 -44.1 95.25 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.102 -0.499 . . . . 10.0 109.818 179.005 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 47.7 mt -60.65 -54.84 40.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.72 -0.673 . . . . 10.0 110.773 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.26 -43.2 82.81 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.216 0.532 . . . . 10.0 110.635 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 348' ' ' GLU . . . . . 0.514 ' HB3' ' HE2' ' A' ' 352' ' ' LYS . 2.7 tt0 -64.7 -46.15 83.58 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.601 -0.727 . . . . 10.0 110.113 179.56 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -63.05 -31.85 73.08 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.747 0.277 . . . . 10.0 111.747 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 32.3 m-70 -66.01 -40.13 90.83 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.604 -0.887 . . . . 10.0 108.604 177.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -68.86 -41.44 78.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.399 -0.819 . . . . 10.0 109.44 178.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 352' ' ' LYS . . . . . 0.514 ' HE2' ' HB3' ' A' ' 348' ' ' GLU . 38.4 mttm -61.97 -44.22 97.2 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.023 -0.732 . . . . 10.0 109.023 178.448 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -61.79 -32.78 73.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.648 -0.705 . . . . 10.0 109.982 179.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 57.7 m -66.0 -43.2 88.42 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.794 -0.817 . . . . 10.0 108.794 179.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -63.94 -38.64 91.83 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.533 -0.543 . . . . 10.0 109.533 177.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 -64.71 -40.21 94.97 Favored 'General case' 0 C--O 1.223 -0.333 0 N-CA-C 109.303 -0.629 . . . . 10.0 109.303 178.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 68.6 mt -66.66 -38.0 85.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.568 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 20.2 m -63.11 -40.62 98.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.254 179.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.32 -32.02 54.99 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.521 -0.548 . . . . 10.0 109.521 179.185 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 30.6 tp -66.18 -30.12 70.53 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-N 115.717 -0.674 . . . . 10.0 109.446 178.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 50.5 m -63.09 -33.78 76.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.831 -0.622 . . . . 10.0 109.331 178.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 362' ' ' GLU . . . . . 0.623 ' HA ' ' HD2' ' A' ' 366' ' ' PRO . 20.7 mm-40 -72.34 -17.76 61.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.825 -0.625 . . . . 10.0 110.195 178.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 363' ' ' LYS . . . . . 0.674 ' HE2' HG23 ' D' ' 411' ' ' THR . 81.1 mttt -92.38 -38.08 12.22 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.01 179.056 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -80.51 -19.64 45.38 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.539 -0.755 . . . . 10.0 112.582 -179.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 365' ' ' LYS . . . . . 1.012 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 71.2 mttt -113.97 -77.41 0.01 OUTLIER Pre-proline 0 CA--C 1.538 0.506 0 N-CA-C 112.547 0.573 . . . . 10.0 112.547 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 366' ' ' PRO . . . . . 1.012 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 35.4 Cg_exo -58.37 -51.03 8.21 Favored 'Trans proline' 0 C--N 1.357 0.99 0 C-N-CA 121.846 1.697 . . . . 10.0 112.755 -179.356 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 367' ' ' ALA . . . . . 0.658 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -63.35 -44.53 94.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.562 -0.29 . . . . 10.0 111.373 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 368' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 368' ' ' LEU . 2.7 mt -61.57 -44.88 96.22 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 121.014 -0.274 . . . . 10.0 110.917 179.674 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -63.81 -39.36 94.06 Favored 'General case' 0 C--O 1.224 -0.245 0 N-CA-C 109.485 -0.561 . . . . 10.0 109.485 178.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -62.33 -48.11 81.27 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.591 -0.731 . . . . 10.0 109.605 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 371' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 367' ' ' ALA . 92.6 mt -64.73 -40.37 95.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.795 179.463 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 78.8 mtt180 -63.65 -49.69 72.24 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.698 179.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -64.84 -27.3 68.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.706 179.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -79.68 -42.07 11.95 Favored Glycine 0 N--CA 1.444 -0.774 0 C-N-CA 120.783 -0.722 . . . . 10.0 112.005 179.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 375' ' ' LEU . . . . . 0.465 ' O ' ' HG ' ' A' ' 379' ' ' LEU . 51.7 mt -76.57 -28.46 56.24 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.752 0.649 . . . . 10.0 112.752 -179.498 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 19.0 mt -49.69 -57.94 10.7 Favored Pre-proline 0 CA--C 1.537 0.457 0 N-CA-C 112.876 0.695 . . . . 10.0 112.876 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.72 -22.41 50.12 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 121.898 1.732 . . . . 10.0 111.318 179.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 76.7 t -72.31 -40.03 64.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 108.535 -0.913 . . . . 10.0 108.535 178.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 379' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 375' ' ' LEU . 72.5 mt -64.66 -36.89 85.71 Favored 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 108.816 -0.809 . . . . 10.0 108.816 178.104 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -63.85 -49.15 73.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.619 -0.718 . . . . 10.0 110.123 178.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.37 -35.26 79.89 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.23 179.43 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.7 -39.4 91.35 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 115.926 -0.579 . . . . 10.0 109.693 178.527 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 383' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 379' ' ' LEU . 86.2 mttt -62.55 -34.55 77.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.98 -0.555 . . . . 10.0 109.513 178.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 87.1 t -67.36 -46.47 83.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.816 -0.629 . . . . 10.0 109.604 179.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.98 -41.5 95.37 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.923 0.392 . . . . 10.0 110.383 179.312 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 386' ' ' PHE . . . . . 0.435 ' O ' ' HG ' ' A' ' 390' ' ' LEU . 1.7 m-85 -60.34 -51.25 70.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.73 -0.668 . . . . 10.0 111.206 179.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 90.2 mt -60.27 -44.24 95.5 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.3 -0.409 . . . . 10.0 111.023 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 388' ' ' SER . . . . . 0.54 ' HB3' ' HE2' ' D' ' 594' ' ' LYS . 19.8 m -62.38 -44.26 96.87 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.892 -0.594 . . . . 10.0 110.448 179.489 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -63.79 -43.55 95.99 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.548 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 390' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 386' ' ' PHE . 70.4 mt -59.1 -43.0 91.83 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.509 -0.314 . . . . 10.0 110.471 179.33 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -62.98 -37.4 86.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.779 -0.646 . . . . 10.0 110.312 178.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 392' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 388' ' ' SER . 68.7 mm-40 -61.42 -40.7 95.4 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.464 179.173 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -64.86 -42.42 94.89 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.8 -0.636 . . . . 10.0 110.702 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . 0.407 ' O ' ' HB3' ' A' ' 398' ' ' ASN . 1.1 m -70.73 -35.25 72.61 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.853 0.359 . . . . 10.0 110.467 179.565 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -71.18 -41.78 69.89 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.941 0.719 . . . . 10.0 112.941 -179.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 396' ' ' LYS . . . . . 0.621 ' HE2' ' HA ' ' D' ' 587' ' ' ALA . 13.7 mptt -93.15 -40.11 10.67 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 114.246 1.202 . . . . 10.0 114.246 -177.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 82.7 mt -83.45 -3.0 57.18 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.137 0.421 . . . . 10.0 112.137 -179.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 398' ' ' ASN . . . . . 0.407 ' HB3' ' O ' ' A' ' 394' ' ' THR . 30.3 t30 . . . . . 0 C--N 1.322 -0.617 0 CA-C-N 116.366 -0.379 . . . . 10.0 110.201 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 2.3 mm? . . . . . 0 CA--C 1.52 -0.186 0 CA-C-O 121.403 0.62 . . . . 10.0 110.106 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 4.5 mtpm? -122.53 17.62 10.45 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.247 -0.888 . . . . 10.0 109.516 179.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 71.8 mt -66.67 -40.9 88.79 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.409 -0.814 . . . . 10.0 110.148 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 84.5 mt -64.28 -35.34 80.52 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.652 -0.704 . . . . 10.0 109.841 178.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -64.63 -43.6 93.18 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.53 -0.759 . . . . 10.0 109.883 179.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 404' ' ' ASN . . . . . 0.434 ' O ' HG23 ' D' ' 408' ' ' VAL . 25.2 t-20 -70.86 -39.11 73.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.267 179.426 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -60.83 -37.37 81.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.975 -0.557 . . . . 10.0 111.159 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -61.61 -44.54 96.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.441 -0.345 . . . . 10.0 110.135 179.146 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.28 -42.01 85.61 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.972 -0.558 . . . . 10.0 109.972 178.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 408' ' ' VAL . . . . . 0.434 HG23 ' O ' ' D' ' 404' ' ' ASN . 46.3 t -65.43 -39.8 86.34 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 CA-C-N 115.91 -0.586 . . . . 10.0 109.75 179.061 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 27.4 m -62.97 -43.57 98.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.713 -0.676 . . . . 10.0 109.914 179.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 410' ' ' SER . . . . . 0.414 ' O ' ' HG2' ' D' ' 414' ' ' LYS . 7.6 m -62.39 -35.53 79.49 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 109.453 -0.573 . . . . 10.0 109.453 178.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 411' ' ' THR . . . . . 0.674 HG23 ' HE2' ' A' ' 363' ' ' LYS . 45.4 m -61.42 -45.34 94.72 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.574 -0.739 . . . . 10.0 109.688 178.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -68.03 -35.19 77.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.812 179.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 15.9 m -61.36 -46.44 90.22 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.608 -0.516 . . . . 10.0 109.608 179.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 414' ' ' LYS . . . . . 0.414 ' HG2' ' O ' ' D' ' 410' ' ' SER . 24.9 mmtt -66.09 -29.38 69.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.778 -0.647 . . . . 10.0 110.19 179.27 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 10.7 mt -70.25 -40.44 74.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.05 -0.523 . . . . 10.0 109.707 178.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 81.1 mtt180 -68.18 -32.8 73.31 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.815 -0.63 . . . . 10.0 110.375 179.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -67.05 -27.2 67.19 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.664 -0.698 . . . . 10.0 109.614 178.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -81.19 -49.43 10.82 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.391 -0.822 . . . . 10.0 109.075 178.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 81.6 mt -44.76 -42.91 8.13 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.18 -0.918 . . . . 10.0 112.387 -179.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -54.17 -79.27 0.09 OUTLIER Glycine 0 C--N 1.333 0.377 0 C-N-CA 121.118 -0.563 . . . . 10.0 112.569 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 421' ' ' PRO . . . . . 0.524 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 50.6 Cg_exo -55.56 -38.73 93.82 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.937 2.425 . . . . 10.0 112.433 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 20.7 t -58.77 -44.63 90.65 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 CA-C-N 116.586 -0.279 . . . . 10.0 111.692 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 33.9 p -73.64 -33.78 64.67 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.651 -0.42 . . . . 10.0 110.363 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -58.31 -51.83 68.16 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.424 -0.584 . . . . 10.0 109.424 178.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 425' ' ' GLU . . . . . 0.524 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 12.2 pt-20 -75.96 -26.04 56.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.884 -0.598 . . . . 10.0 111.051 179.65 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 426' ' ' PHE . . . . . 0.42 ' O ' ' HG ' ' D' ' 430' ' ' LEU . 46.2 t80 -65.95 -44.55 84.67 Favored 'General case' 0 CA--C 1.514 -0.412 0 N-CA-C 109.121 -0.696 . . . . 10.0 109.121 178.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 12.3 m0 -65.5 -38.83 90.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.465 -0.788 . . . . 10.0 109.498 178.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -65.86 -40.79 92.0 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.023 -0.732 . . . . 10.0 109.023 178.039 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 429' ' ' ASN . . . . . 0.483 ' OD1' ' HG2' ' A' ' 345' ' ' ARG . 4.8 t30 -62.69 -45.85 90.88 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.694 -0.854 . . . . 10.0 108.694 177.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 430' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' D' ' 426' ' ' PHE . 52.0 mt -58.3 -37.97 76.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.409 -0.814 . . . . 10.0 110.266 178.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -64.51 -42.22 95.93 Favored 'General case' 0 CA--C 1.523 -0.066 0 CA-C-N 116.561 -0.29 . . . . 10.0 110.432 178.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 36.0 mttp -64.35 -44.18 92.25 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 109.076 -0.713 . . . . 10.0 109.076 178.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 433' ' ' GLU . . . . . 0.567 ' O ' ' HG ' ' D' ' 437' ' ' LEU . 22.9 mt-10 -64.04 -55.35 22.87 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.393 -0.821 . . . . 10.0 110.887 179.683 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 16.9 p -57.15 -45.56 83.48 Favored 'General case' 0 C--O 1.226 -0.174 0 CA-C-N 116.339 -0.391 . . . . 10.0 111.674 -179.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -60.56 -46.92 88.4 Favored 'General case' 0 CA--C 1.519 -0.225 0 O-C-N 122.954 0.159 . . . . 10.0 110.691 179.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -60.66 -47.38 91.45 Favored Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 110.597 -1.001 . . . . 10.0 110.597 178.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 437' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' D' ' 433' ' ' GLU . 54.3 mt -63.71 -35.19 79.75 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-O 120.652 0.263 . . . . 10.0 110.546 179.301 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 42.3 mtt180 -62.96 -41.83 99.64 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.781 -0.451 . . . . 10.0 109.781 179.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -67.18 -37.45 83.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.065 -0.516 . . . . 10.0 109.966 178.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -67.76 -43.67 79.32 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.712 -0.676 . . . . 10.0 109.534 178.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 96.6 mmm -70.42 -35.28 73.32 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.254 -0.885 . . . . 10.0 113.172 -178.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 2.5 p -63.84 -48.89 74.97 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.529 -0.545 . . . . 10.0 109.529 179.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -64.13 -36.55 84.4 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.694 -0.684 . . . . 10.0 109.22 178.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -63.77 -56.18 17.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.138 -0.937 . . . . 10.0 110.391 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 445' ' ' LEU . . . . . 0.401 ' O ' ' HG3' ' D' ' 449' ' ' LYS . 79.6 mt -60.34 -46.32 90.35 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.299 0.481 . . . . 10.0 112.299 -179.113 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -60.91 -44.94 96.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.121 0.486 . . . . 10.0 110.637 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 447' ' ' GLU . . . . . 0.866 ' HB3' HH21 ' A' ' 330' ' ' ARG . 20.2 tt0 -72.01 -27.63 62.86 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.197 179.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 448' ' ' VAL . . . . . 0.411 HG23 HH22 ' A' ' 330' ' ' ARG . 2.0 t -61.9 -42.15 93.58 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.307 0 N-CA-C 108.895 -0.78 . . . . 10.0 108.895 178.47 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 449' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' D' ' 445' ' ' LEU . 78.3 mttt -65.36 -38.58 90.49 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.232 -0.655 . . . . 10.0 109.232 178.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -79.06 5.07 12.73 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.579 -0.737 . . . . 10.0 111.288 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 451' ' ' LYS . . . . . 0.562 ' O ' ' HB2' ' D' ' 455' ' ' TYR . 60.0 mttm -121.19 -48.84 2.2 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.588 179.602 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 96.7 t -63.94 -40.79 90.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.477 -0.329 . . . . 10.0 111.366 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -56.97 -59.3 12.99 Favored Pre-proline 0 CA--C 1.535 0.371 0 C-N-CA 120.895 -0.322 . . . . 10.0 111.478 179.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -67.28 -30.31 37.4 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 121.779 1.652 . . . . 10.0 111.796 178.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 455' ' ' TYR . . . . . 0.562 ' HB2' ' O ' ' D' ' 451' ' ' LYS . 3.6 t80 -68.78 -40.84 79.46 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-O 120.561 0.22 . . . . 10.0 110.579 179.419 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 456' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' D' ' 456' ' ' LEU . 17.5 mt -65.58 -40.65 92.99 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 109.025 -0.732 . . . . 10.0 109.025 178.569 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -65.24 -44.46 88.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.486 -0.779 . . . . 10.0 109.514 178.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -62.53 -45.74 91.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.691 -0.686 . . . . 10.0 110.257 179.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.72 -40.66 88.5 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.517 178.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 460' ' ' GLN . . . . . 0.489 ' HA ' ' HB2' ' D' ' 463' ' ' TRP . 52.3 mt-30 -64.8 -29.24 70.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.765 0.317 . . . . 10.0 110.202 178.686 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 461' ' ' LYS . . . . . 0.436 ' O ' ' HG3' ' D' ' 465' ' ' GLU . 40.7 mttt -65.14 -45.34 85.42 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 108.339 -0.986 . . . . 10.0 108.339 177.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 27.1 mtmm -71.74 -35.39 70.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.182 -0.917 . . . . 10.0 110.01 178.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 463' ' ' TRP . . . . . 0.489 ' HB2' ' HA ' ' D' ' 460' ' ' GLN . 13.1 m0 -63.65 -39.81 95.29 Favored 'General case' 0 CA--C 1.518 -0.254 0 N-CA-C 109.267 -0.642 . . . . 10.0 109.267 178.317 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -63.81 -44.22 93.93 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 108.953 -0.758 . . . . 10.0 108.953 178.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 465' ' ' GLU . . . . . 0.481 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 27.0 mt-10 -57.61 -52.29 66.02 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 108.751 -0.833 . . . . 10.0 108.751 177.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -55.61 -47.61 76.25 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 115.554 -0.748 . . . . 10.0 110.487 179.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 2.7 mtm -61.99 -46.91 87.18 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.378 -0.374 . . . . 10.0 111.125 179.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -65.69 -34.42 78.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.842 0.353 . . . . 10.0 110.088 179.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 469' ' ' LEU . . . . . 0.656 HD21 ' HG3' ' A' ' 308' ' ' ARG . 64.0 mt -68.08 -38.5 82.44 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 115.89 -0.595 . . . . 10.0 109.575 178.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 11.4 m-30 -63.33 -41.61 98.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.112 0.482 . . . . 10.0 110.105 178.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 471' ' ' ARG . . . . . 0.877 ' HA ' ' HG3' ' D' ' 475' ' ' GLU . 81.5 mtt180 -72.81 -13.84 61.39 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.74 179.284 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -116.99 24.71 11.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.391 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 473' ' ' LYS . . . . . 0.534 ' HB2' ' O ' ' D' ' 469' ' ' LEU . 3.2 mttp -153.79 -66.82 0.14 Allowed 'General case' 0 C--O 1.221 -0.41 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.071 179.309 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 99.7 t -58.82 -44.75 91.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.83 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 475' ' ' GLU . . . . . 0.877 ' HG3' ' HA ' ' D' ' 471' ' ' ARG . 10.9 mt-10 -60.99 -58.69 17.43 Favored Pre-proline 0 CA--C 1.535 0.366 0 N-CA-C 111.675 0.25 . . . . 10.0 111.675 179.152 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 476' ' ' PRO . . . . . 0.773 ' HD3' ' HB2' ' D' ' 475' ' ' GLU . 52.3 Cg_exo -56.62 -38.29 95.85 Favored 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 121.851 1.701 . . . . 10.0 110.951 178.309 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 477' ' ' LEU . . . . . 0.469 HD21 ' HG3' ' A' ' 297' ' ' LYS . 34.4 mt -67.47 -31.81 72.22 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 116.3 -0.409 . . . . 10.0 110.098 179.087 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 478' ' ' ARG . . . . . 0.403 ' O ' ' HB2' ' D' ' 482' ' ' GLN . 28.8 mtt180 -64.71 -38.82 92.28 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 109.61 -0.515 . . . . 10.0 109.61 178.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -70.61 -43.32 69.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.766 -0.652 . . . . 10.0 109.497 178.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -61.96 -46.17 90.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.639 -0.71 . . . . 10.0 109.584 178.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 57.3 mt -70.75 -27.53 64.01 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.85 179.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 482' ' ' GLN . . . . . 0.403 ' HB2' ' O ' ' D' ' 478' ' ' ARG . 0.9 OUTLIER -67.53 -42.87 82.06 Favored 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 107.884 -1.154 . . . . 10.0 107.884 178.22 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -66.87 -44.25 81.4 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 108.641 -0.874 . . . . 10.0 108.641 178.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -62.01 -36.43 92.88 Favored Glycine 0 N--CA 1.447 -0.601 0 N-CA-C 111.086 -0.806 . . . . 10.0 111.086 178.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -69.94 -36.32 75.2 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.931 -0.396 . . . . 10.0 109.931 178.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 69.7 mtt180 -66.46 -41.57 88.85 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 108.747 -0.834 . . . . 10.0 108.747 178.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -65.34 -45.62 83.5 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 108.623 -0.88 . . . . 10.0 108.623 178.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 488' ' ' LYS . . . . . 0.493 ' O ' ' HG ' ' D' ' 492' ' ' LEU . 87.2 tttt -59.03 -44.07 91.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.519 -0.764 . . . . 10.0 109.953 179.054 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 489' ' ' LEU . . . . . 0.418 ' O ' ' HG3' ' D' ' 493' ' ' GLN . 2.5 mt -63.54 -39.53 94.65 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.971 -0.559 . . . . 10.0 109.815 178.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 16.1 t-160 -64.1 -45.48 88.45 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 108.791 -0.818 . . . . 10.0 108.791 178.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -58.02 -45.19 87.3 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 108.942 -0.762 . . . . 10.0 108.942 178.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 492' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' D' ' 488' ' ' LYS . 92.6 mt -64.57 -39.73 94.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.546 -0.752 . . . . 10.0 111.38 179.319 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 493' ' ' GLN . . . . . 0.418 ' HG3' ' O ' ' D' ' 489' ' ' LEU . 87.9 mt-30 -57.72 -43.07 85.03 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.045 0.45 . . . . 10.0 110.578 179.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -76.86 14.2 0.89 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.471 -0.786 . . . . 10.0 111.505 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 495' ' ' LYS . . . . . 0.756 ' HE3' HD22 ' A' ' 279' ' ' LEU . 18.1 mttp -131.49 -46.15 0.98 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.209 178.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 496' ' ' LEU . . . . . 0.56 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 82.5 mt -64.28 -25.94 68.27 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.112 -0.495 . . . . 10.0 111.022 179.564 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 497' ' ' SER . . . . . 0.559 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 2.3 m -84.52 -65.46 0.22 Allowed Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 116.434 -0.348 . . . . 10.0 111.845 179.47 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 498' ' ' PRO . . . . . 0.559 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 24.9 Cg_endo -62.89 -56.83 0.51 Allowed 'Trans proline' 0 C--N 1.358 1.056 0 C-N-CA 121.658 1.572 . . . . 10.0 112.438 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 499' ' ' LEU . . . . . 0.422 ' HB2' ' O ' ' D' ' 495' ' ' LYS . 10.1 mt -69.21 -29.96 68.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.471 0.177 . . . . 10.0 110.78 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 500' ' ' GLY . . . . . 0.56 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -64.35 -51.5 51.99 Favored Glycine 0 N--CA 1.449 -0.462 0 N-CA-C 111.431 -0.668 . . . . 10.0 111.431 179.377 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -70.87 -30.67 67.11 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.999 -0.371 . . . . 10.0 109.999 178.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 502' ' ' GLU . . . . . 0.576 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 31.3 tt0 -64.78 -46.59 81.45 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.018 -0.537 . . . . 10.0 109.619 179.037 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 503' ' ' MET . . . . . 0.535 ' HA ' ' HD2' ' D' ' 506' ' ' ARG . 74.4 mmm -61.66 -38.12 86.59 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 116.22 -0.445 . . . . 10.0 109.884 179.045 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 504' ' ' ARG . . . . . 0.444 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 51.3 mtt180 -66.06 -37.06 84.88 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.146 178.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 505' ' ' ASP . . . . . 0.418 ' O ' ' HB2' ' D' ' 508' ' ' ARG . 18.7 t70 -69.93 -36.24 75.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.303 0.573 . . . . 10.0 109.634 178.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 506' ' ' ARG . . . . . 0.576 ' HG3' ' O ' ' D' ' 502' ' ' GLU . 65.3 mtt180 -63.3 -45.68 90.23 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 107.365 -1.346 . . . . 10.0 107.365 177.287 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -59.39 -37.69 78.61 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 115.23 -0.896 . . . . 10.0 109.749 179.021 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 508' ' ' ARG . . . . . 0.444 ' HG3' ' O ' ' D' ' 504' ' ' ARG . 70.6 mtt180 -59.42 -45.75 90.67 Favored 'General case' 0 C--O 1.224 -0.279 0 N-CA-C 108.722 -0.844 . . . . 10.0 108.722 178.075 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 509' ' ' ALA . . . . . 0.566 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -65.53 -34.97 79.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.826 -0.625 . . . . 10.0 110.547 179.669 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 510' ' ' HIS . . . . . 0.509 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 41.6 m-70 -68.37 -48.41 64.83 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.085 0.469 . . . . 10.0 109.77 178.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 511' ' ' VAL . . . . . 0.443 ' O ' ' HG3' ' D' ' 515' ' ' ARG . 75.7 t -65.31 -41.91 92.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.709 -0.678 . . . . 10.0 110.246 179.539 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 512' ' ' ASP . . . . . 0.491 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 20.8 t0 -61.26 -37.52 83.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.165 179.395 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 513' ' ' ALA . . . . . 0.595 ' HB2' ' NZ ' ' A' ' 264' ' ' LYS . . . -66.49 -46.59 75.77 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.197 -0.668 . . . . 10.0 109.197 178.364 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 514' ' ' LEU . . . . . 0.628 ' HA ' ' HB2' ' D' ' 517' ' ' HIS . 69.7 mt -58.18 -23.65 56.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.522 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 515' ' ' ARG . . . . . 0.491 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 78.9 mtt180 -67.75 -25.5 65.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.968 0.413 . . . . 10.0 110.088 178.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 2.5 m -112.23 -13.92 13.42 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.159 0.504 . . . . 10.0 110.058 179.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 517' ' ' HIS . . . . . 0.628 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 16.9 m170 -91.15 -56.76 3.03 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.928 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 59.1 mt -90.3 -49.71 6.38 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 113.363 0.875 . . . . 10.0 113.363 -177.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 519' ' ' ALA . . . . . 0.684 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -46.3 -60.11 4.06 Favored Pre-proline 0 N--CA 1.47 0.558 0 N-CA-C 113.715 1.006 . . . . 10.0 113.715 -178.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 520' ' ' PRO . . . . . 0.684 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 31.5 Cg_exo -62.97 -30.72 76.95 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.002 1.802 . . . . 10.0 111.338 179.195 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 521' ' ' TYR . . . . . 0.412 ' HB2' ' O ' ' D' ' 517' ' ' HIS . 9.9 t80 -64.83 -41.27 95.88 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.859 -0.609 . . . . 10.0 110.35 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 522' ' ' SER . . . . . 0.41 ' O ' ' HG3' ' D' ' 526' ' ' ARG . 0.0 OUTLIER -62.11 -37.3 84.58 Favored 'General case' 0 CA--C 1.52 -0.176 0 N-CA-C 109.938 -0.393 . . . . 10.0 109.938 178.753 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 523' ' ' ASP . . . . . 0.733 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 16.0 t70 -67.17 -37.82 84.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.22 0.533 . . . . 10.0 109.815 179.065 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -71.54 -35.17 70.56 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 108.662 -0.866 . . . . 10.0 108.662 178.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 525' ' ' LEU . . . . . 0.464 HD23 ' HD2' ' D' ' 528' ' ' ARG . 16.3 mt -64.19 -32.59 74.23 Favored 'General case' 0 C--O 1.22 -0.469 0 N-CA-C 108.784 -0.821 . . . . 10.0 108.784 178.078 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 526' ' ' ARG . . . . . 0.733 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 87.6 mtt180 -64.03 -37.19 86.52 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.274 -0.639 . . . . 10.0 109.274 178.423 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -67.43 -41.12 85.3 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.288 -0.634 . . . . 10.0 109.288 178.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 528' ' ' ARG . . . . . 0.595 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 93.7 mtt180 -67.23 -48.39 67.95 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.362 -0.835 . . . . 10.0 109.488 179.041 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 82.9 mt -62.7 -28.23 69.8 Favored 'General case' 0 C--O 1.222 -0.374 0 CA-C-N 115.835 -0.62 . . . . 10.0 110.592 179.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -65.68 -37.78 87.44 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.089 -0.708 . . . . 10.0 109.089 178.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -73.32 -39.62 65.13 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.754 -0.832 . . . . 10.0 108.754 178.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 7.7 ttm180 -62.37 -45.23 94.13 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.348 -0.842 . . . . 10.0 109.05 178.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 533' ' ' LEU . . . . . 0.411 ' O ' ' HG3' ' D' ' 537' ' ' LYS . 31.6 mt -64.15 -42.01 96.94 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.936 -0.574 . . . . 10.0 109.946 178.684 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -60.02 -43.08 95.51 Favored 'General case' 0 CA--C 1.522 -0.108 0 CA-C-N 116.096 -0.502 . . . . 10.0 109.975 179.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -65.13 -37.32 87.05 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 109.336 -0.616 . . . . 10.0 109.336 178.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 76.3 mt -71.97 -22.57 61.42 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.936 -0.574 . . . . 10.0 110.397 178.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 537' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' D' ' 533' ' ' LEU . 96.5 mttt -83.72 -37.89 22.11 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.757 -0.831 . . . . 10.0 108.757 178.372 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 22.3 tp10 -68.54 -57.81 5.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.368 -0.833 . . . . 10.0 109.518 178.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -67.67 -34.16 76.36 Favored 'General case' 0 CA--C 1.514 -0.425 0 N-CA-C 109.188 -0.671 . . . . 10.0 109.188 179.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -63.54 -48.82 74.44 Favored Glycine 0 N--CA 1.451 -0.351 0 CA-C-N 115.772 -0.649 . . . . 10.0 111.644 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -64.13 -42.97 97.84 Favored Glycine 0 N--CA 1.445 -0.708 0 N-CA-C 111.072 -0.811 . . . . 10.0 111.072 179.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -61.97 -49.88 74.34 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 110.04 -0.356 . . . . 10.0 110.04 178.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 60.7 mtt180 -60.81 -30.01 69.81 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-N 116.189 -0.459 . . . . 10.0 110.827 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 14.7 mt -64.32 -46.0 85.42 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.39 -0.596 . . . . 10.0 109.39 178.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -66.08 -44.24 85.02 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 109.351 -0.611 . . . . 10.0 109.351 179.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 546' ' ' GLU . . . . . 0.437 ' O ' ' HB2' ' D' ' 550' ' ' LYS . 67.7 mt-10 -59.86 -45.01 93.78 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-N 115.533 -0.758 . . . . 10.0 109.922 178.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -66.16 -40.7 90.71 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.923 179.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -62.02 -42.24 98.94 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 109.683 -0.488 . . . . 10.0 109.683 178.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -69.31 -47.36 64.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.616 -0.72 . . . . 10.0 109.288 178.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 550' ' ' LYS . . . . . 0.634 ' HD3' HG22 ' A' ' 224' ' ' VAL . 0.0 OUTLIER -59.58 -37.28 78.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.879 -0.6 . . . . 10.0 110.965 179.812 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -65.02 -42.29 94.55 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 116.117 -0.492 . . . . 10.0 109.866 179.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 5.8 m -69.56 -41.66 75.58 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.121 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 78.2 mt-10 -61.33 -47.4 86.07 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 108.928 -0.768 . . . . 10.0 108.928 178.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 554' ' ' HIS . . . . . 0.408 ' O ' ' HG ' ' D' ' 558' ' ' LEU . 32.4 t60 -62.87 -44.01 97.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.41 -0.814 . . . . 10.0 109.936 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 23.7 tp -61.21 -36.95 81.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.108 0.48 . . . . 10.0 109.723 179.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 44.0 m -65.8 -47.98 73.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.777 -0.647 . . . . 10.0 109.785 179.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 1.5 p -66.73 -31.21 71.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.79 0.329 . . . . 10.0 110.341 178.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 558' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' D' ' 554' ' ' HIS . 38.2 mt -66.49 -56.71 9.6 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.075 178.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 5.4 p -65.24 -31.19 72.23 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 116.512 -0.313 . . . . 10.0 111.556 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -62.72 -32.86 74.05 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.154 -0.475 . . . . 10.0 109.722 178.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 561' ' ' LYS . . . . . 0.522 ' HA ' ' HE3' ' D' ' 561' ' ' LYS . 0.0 OUTLIER -93.84 -36.59 12.17 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.342 179.829 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -55.03 -47.75 74.33 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.665 0.617 . . . . 10.0 112.665 -178.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 563' ' ' LYS . . . . . 0.523 ' O ' ' HG2' ' D' ' 567' ' ' GLU . 98.4 mttt -54.97 -63.74 2.67 Favored Pre-proline 0 CA--C 1.531 0.222 0 N-CA-C 112.383 0.512 . . . . 10.0 112.383 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 564' ' ' PRO . . . . . 0.439 ' O ' ' HB2' ' D' ' 568' ' ' ASP . 20.2 Cg_endo -62.49 -29.07 78.28 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 122.114 1.876 . . . . 10.0 112.465 179.674 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -70.91 -53.51 14.79 Favored 'General case' 0 C--O 1.222 -0.381 0 C-N-CA 121.127 -0.229 . . . . 10.0 110.799 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 62.8 mt -59.67 -43.26 94.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.756 -0.202 . . . . 10.0 110.964 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 567' ' ' GLU . . . . . 0.523 ' HG2' ' O ' ' D' ' 563' ' ' LYS . 62.0 mm-40 -62.45 -51.55 67.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.379 -0.373 . . . . 10.0 110.493 179.421 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 568' ' ' ASP . . . . . 0.439 ' HB2' ' O ' ' D' ' 564' ' ' PRO . 0.4 OUTLIER -65.32 -36.61 84.57 Favored 'General case' 0 CA--C 1.521 -0.14 0 CA-C-O 120.788 0.328 . . . . 10.0 111.492 -179.763 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 23.0 mt -62.02 -46.26 89.99 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.752 -0.462 . . . . 10.0 109.752 178.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 570' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' D' ' 570' ' ' ARG . 25.8 mtt85 -68.77 -43.63 75.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.352 -0.386 . . . . 10.0 110.237 179.208 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -64.12 -19.26 65.14 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.301 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -96.84 -33.12 6.2 Favored Glycine 0 N--CA 1.443 -0.834 0 N-CA-C 110.662 -0.975 . . . . 10.0 110.662 178.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 573' ' ' LEU . . . . . 0.582 ' HA ' HG12 ' D' ' 576' ' ' VAL . 11.1 mt -73.8 -41.12 62.82 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 122.344 0.258 . . . . 10.0 111.627 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 574' ' ' LEU . . . . . 0.464 ' HB2' ' HD3' ' D' ' 575' ' ' PRO . 96.1 mt -50.32 -60.18 5.77 Favored Pre-proline 0 CA--C 1.537 0.459 0 N-CA-C 112.455 0.539 . . . . 10.0 112.455 -179.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 575' ' ' PRO . . . . . 0.464 ' HD3' ' HB2' ' D' ' 574' ' ' LEU . 44.0 Cg_endo -70.45 -30.03 19.67 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 121.851 1.701 . . . . 10.0 112.342 179.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 576' ' ' VAL . . . . . 0.582 HG12 ' HA ' ' D' ' 573' ' ' LEU . 0.4 OUTLIER -70.04 -32.93 53.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 120.558 -0.457 . . . . 10.0 110.74 179.663 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 577' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' D' ' 573' ' ' LEU . 51.1 mt -65.43 -38.73 90.76 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 108.93 -0.767 . . . . 10.0 108.93 178.555 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 578' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' D' ' 574' ' ' LEU . 7.7 mm-40 -63.45 -42.97 98.66 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.948 -0.76 . . . . 10.0 108.948 178.609 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 51.1 m -64.76 -40.46 95.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.705 -0.679 . . . . 10.0 110.087 178.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -63.98 -40.69 96.95 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.101 -0.5 . . . . 10.0 109.818 178.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 581' ' ' LYS . . . . . 0.431 ' HG3' ' O ' ' D' ' 577' ' ' LEU . 95.7 mttt -56.95 -47.86 79.7 Favored 'General case' 0 C--O 1.225 -0.197 0 CA-C-N 115.866 -0.607 . . . . 10.0 109.89 179.128 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 60.5 t -59.34 -43.48 90.19 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.715 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 1.4 p -71.96 -27.48 62.81 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.088 0.47 . . . . 10.0 111.223 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 584' ' ' PHE . . . . . 0.433 ' O ' ' HG ' ' D' ' 588' ' ' LEU . 9.1 m-85 -79.58 -44.71 20.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.766 179.095 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 88.6 mt -60.51 -46.86 88.57 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.794 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 8.2 p -62.05 -34.81 76.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.232 0.539 . . . . 10.0 110.158 179.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 587' ' ' ALA . . . . . 0.621 ' HA ' ' HE2' ' A' ' 396' ' ' LYS . . . -68.61 -47.64 66.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.735 -0.666 . . . . 10.0 109.736 179.055 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 588' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' D' ' 584' ' ' PHE . 71.5 mt -57.76 -48.41 79.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 10.0 111.009 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -57.84 -50.11 74.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.832 -0.622 . . . . 10.0 111.422 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -68.64 -41.89 78.76 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.809 0.67 . . . . 10.0 112.809 -179.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -59.82 -40.07 87.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.778 0.323 . . . . 10.0 110.975 179.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 19.0 m -68.64 -29.58 68.1 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.096 0.474 . . . . 10.0 110.452 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -75.35 -36.93 60.9 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.087 0.47 . . . . 10.0 110.601 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 594' ' ' LYS . . . . . 0.54 ' HE2' ' HB3' ' A' ' 388' ' ' SER . 11.1 mptt -74.1 -32.11 63.08 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.836 -0.62 . . . . 10.0 111.176 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 95.8 mt -105.08 26.04 9.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.099 -0.501 . . . . 10.0 111.673 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 . . . . . 0 C--N 1.323 -0.577 0 CA-C-N 116.511 -0.313 . . . . 10.0 111.041 -179.954 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--O 1.233 0.202 0 CA-C-O 120.926 0.393 . . . . 10.0 110.512 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . 0.448 ' HB ' ' CE2' ' B' ' 4' ' ' TYR . 0.0 OUTLIER -116.99 134.11 55.16 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.903 -0.59 . . . . 10.0 109.958 179.223 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -95.01 139.83 30.82 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.418 -0.355 . . . . 10.0 110.993 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' TYR . . . . . 0.448 ' CE2' ' HB ' ' B' ' 2' ' ' THR . 90.0 m-85 -133.94 113.99 12.79 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.288 -0.415 . . . . 10.0 110.74 179.439 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.777 ' HA ' ' HB3' ' B' ' 54' ' ' ASP . 45.8 mttm -79.72 115.46 19.34 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.648 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.517 ' O ' ' HA ' ' B' ' 55' ' ' ILE . 18.8 mt -112.75 111.79 22.82 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.796 -179.01 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 45.6 t -100.41 123.56 53.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 110.056 -0.35 . . . . 10.0 110.056 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.534 HG12 ' HD2' ' B' ' 16' ' ' LYS . 2.9 t -88.62 115.39 28.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.123 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 28.0 m -113.84 146.52 18.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.974 0.416 . . . . 10.0 111.316 -179.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.31 -163.05 34.23 Favored Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 110.818 -0.913 . . . . 10.0 110.818 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -94.74 -177.0 4.05 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.003 0.43 . . . . 10.0 110.984 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -97.29 136.78 37.28 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.022 0.439 . . . . 10.0 110.369 179.356 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 95.94 6.86 59.0 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.72 -0.752 . . . . 10.0 111.772 -179.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.433 ' CG2' ' HG3' ' B' ' 16' ' ' LYS . 33.9 m -89.97 -27.66 5.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.673 0.273 . . . . 10.0 111.654 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . 0.52 ' HA3' ' C8 ' ' B' ' 201' ' ' GSP . . . 110.06 22.8 6.38 Favored Glycine 0 CA--C 1.518 0.257 0 C-N-CA 120.321 -0.943 . . . . 10.0 114.383 179.101 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.534 ' HD2' HG12 ' B' ' 8' ' ' VAL . 5.8 mtmt -59.44 -33.43 71.26 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.084 0.469 . . . . 10.0 111.908 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . 0.45 ' N ' ' O1A' ' B' ' 201' ' ' GSP . 17.4 m -79.97 -43.39 22.14 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.613 -0.514 . . . . 10.0 109.613 179.376 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.69 -46.7 83.97 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 115.834 -0.621 . . . . 10.0 111.124 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 69.1 mt -57.97 -45.45 86.69 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.102 0.477 . . . . 10.0 110.569 178.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 32.5 m -65.72 -44.22 86.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.439 -0.8 . . . . 10.0 111.578 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 87.7 mt -64.69 -39.35 85.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.333 -0.394 . . . . 10.0 110.607 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . 0.554 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 11.6 mm-40 -62.4 -27.47 69.11 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.925 -0.58 . . . . 10.0 111.295 179.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.418 HD22 ' CD2' ' B' ' 156' ' ' PHE . 14.2 tp -86.6 -17.6 33.51 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.9 0.381 . . . . 10.0 110.831 179.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 36.1 mm -97.44 -67.53 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 112.139 0.422 . . . . 10.0 112.139 -179.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -90.2 -11.13 41.95 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.892 0.331 . . . . 10.0 111.892 -178.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . 0.554 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 4.6 m-80 60.18 46.25 10.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.766 -0.652 . . . . 10.0 112.656 179.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -147.06 148.02 31.22 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 116.161 -0.472 . . . . 10.0 109.858 178.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -90.31 138.18 31.74 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.098 0.475 . . . . 10.0 111.687 -179.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 2.7 m -106.44 107.22 22.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.581 -0.736 . . . . 10.0 110.041 179.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -75.29 -25.42 57.91 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.141 -0.482 . . . . 10.0 110.534 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -79.07 130.07 35.12 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.177 -0.675 . . . . 10.0 109.177 179.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . 0.697 ' CE1' H5'2 ' B' ' 201' ' ' GSP . 1.6 t80 -90.27 115.73 27.71 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.355 0.598 . . . . 10.0 110.942 -179.596 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . 0.452 ' HA ' ' HD3' ' B' ' 34' ' ' PRO . 23.5 t70 -110.71 128.57 25.12 Favored Pre-proline 0 C--N 1.319 -0.736 0 CA-C-N 115.633 -0.712 . . . . 10.0 110.468 179.128 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' B' ' 33' ' ' ASP . 22.0 Cg_exo -66.55 85.14 0.29 Allowed 'Trans proline' 0 C--O 1.233 0.251 0 C-N-CA 122.677 2.251 . . . . 10.0 111.94 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.61 109.43 7.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.778 -0.646 . . . . 10.0 110.342 179.468 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.7 ' HA ' ' HB2' ' B' ' 59' ' ' ALA . 47.4 mm -85.44 -50.38 14.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.855 0.359 . . . . 10.0 110.532 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -160.79 106.22 1.42 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.004 -0.543 . . . . 10.0 110.53 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -144.6 134.08 23.28 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.285 -0.416 . . . . 10.0 109.911 179.706 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 6.1 p -116.26 162.94 16.73 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.379 -0.373 . . . . 10.0 111.168 -179.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -140.52 148.64 41.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.347 -179.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -117.79 133.13 56.25 Favored 'General case' 0 C--O 1.236 0.376 0 O-C-N 123.32 0.388 . . . . 10.0 110.243 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . 0.441 ' HE3' ' CG1' ' B' ' 44' ' ' VAL . 46.4 tttp -150.2 142.21 23.94 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 110.132 -0.322 . . . . 10.0 110.132 -179.03 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -117.86 120.88 39.24 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.834 -0.432 . . . . 10.0 109.834 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . 0.441 ' CG1' ' HE3' ' B' ' 42' ' ' LYS . 3.6 m -134.5 159.14 42.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.99 0.424 . . . . 10.0 112.094 -179.214 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 9.7 t -97.32 89.63 2.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 109.285 -0.635 . . . . 10.0 109.285 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 49.9 mt -89.19 119.58 36.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.597 -178.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . 0.704 ' HB3' ' HB2' ' C' ' 132' ' ' ASP . 9.3 m-20 68.66 -71.73 0.11 Allowed 'General case' 0 N--CA 1.468 0.471 0 O-C-N 123.84 0.712 . . . . 10.0 110.712 -179.65 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -164.16 15.42 0.1 Allowed Glycine 0 N--CA 1.449 -0.488 0 N-CA-C 110.569 -1.012 . . . . 10.0 110.569 178.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -128.98 134.61 48.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.806 0.336 . . . . 10.0 110.907 -179.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 18.1 m -81.08 108.91 15.15 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.995 -0.743 . . . . 10.0 108.995 178.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . 0.415 ' HB3' ' CD2' ' B' ' 4' ' ' TYR . 6.1 m -107.64 140.06 41.23 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.018 -0.537 . . . . 10.0 112.056 -178.499 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 36.3 tp -97.46 115.71 28.3 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.529 -0.915 . . . . 10.0 108.529 178.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 29.6 mt -82.7 120.36 25.49 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.912 -0.585 . . . . 10.0 112.257 -178.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . 0.777 ' HB3' ' HA ' ' B' ' 5' ' ' LYS . 16.2 t70 -108.97 63.88 0.61 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.727 -1.212 . . . . 10.0 107.727 178.17 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' ILE . . . . . 0.517 ' HA ' ' O ' ' B' ' 6' ' ' LEU . 42.3 mt -78.7 140.71 16.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 114.7 -1.136 . . . . 10.0 112.535 -177.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 11.3 tp -144.78 123.29 12.43 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.532 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -103.24 129.53 50.21 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.849 -0.426 . . . . 10.0 109.849 179.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . 0.59 HG21 ' CE1' ' B' ' 71' ' ' TYR . 0.0 OUTLIER -109.76 162.07 14.81 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.615 -0.266 . . . . 10.0 110.601 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' ALA . . . . . 0.7 ' HB2' ' HA ' ' B' ' 36' ' ' ILE . . . -71.49 121.95 19.57 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.376 0.607 . . . . 10.0 112.043 -179.112 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -93.46 35.92 3.94 Favored Glycine 0 N--CA 1.449 -0.483 0 N-CA-C 110.781 -0.927 . . . . 10.0 110.781 178.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . 0.426 HE21 ' HB3' ' B' ' 61' ' ' GLN . 15.0 mt-30 -96.68 11.06 36.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.555 -0.323 . . . . 10.0 111.182 -179.174 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 65.75 -172.49 0.19 Allowed 'General case' 0 N--CA 1.464 0.273 0 O-C-N 123.693 0.62 . . . . 10.0 112.19 -179.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 66.19 28.81 10.0 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.711 0.767 . . . . 10.0 110.184 -178.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' TYR . . . . . 0.483 ' HB3' ' HB3' ' B' ' 67' ' ' MET . 38.3 m-85 -130.72 37.75 3.78 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.337 -0.847 . . . . 10.0 110.13 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.71 -44.49 90.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.84 -0.618 . . . . 10.0 111.029 179.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.07 -38.27 61.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.106 0.479 . . . . 10.0 110.691 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . 0.483 ' HB3' ' HB3' ' B' ' 64' ' ' TYR . 43.0 tpp -66.22 -33.84 76.67 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.67 179.592 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . 0.443 ' HA ' ' CZ ' ' B' ' 71' ' ' TYR . 1.5 tpp180 -57.1 -47.83 80.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.73 -0.668 . . . . 10.0 110.836 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.84 -21.06 65.66 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.666 -0.697 . . . . 10.0 112.383 -179.029 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -75.65 -67.25 0.69 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.925 0.713 . . . . 10.0 112.925 -178.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' TYR . . . . . 0.59 ' CE1' HG21 ' B' ' 58' ' ' THR . 18.7 p90 -67.62 -23.95 65.42 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 113.878 1.066 . . . . 10.0 113.878 -178.024 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . 0.415 ' HG2' ' CE1' ' B' ' 78' ' ' PHE . 43.8 mtt -70.04 -25.49 63.59 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 111.79 0.293 . . . . 10.0 111.79 -179.552 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -71.2 -44.78 64.74 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.057 0.456 . . . . 10.0 110.939 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 4.1 m -79.02 -23.85 44.05 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.941 -0.572 . . . . 10.0 112.38 -179.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -63.26 133.57 42.5 Favored Glycine 0 CA--C 1.521 0.407 0 C-N-CA 121.326 -0.464 . . . . 10.0 113.619 -179.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -91.1 -54.18 4.05 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.869 -0.419 . . . . 10.0 109.869 179.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -118.18 142.74 17.25 Favored Glycine 0 N--CA 1.446 -0.684 0 N-CA-C 110.923 -0.871 . . . . 10.0 110.923 179.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . 0.592 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 95.4 m-85 -116.74 124.42 49.6 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.415 0.626 . . . . 10.0 112.052 -178.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.463 HD12 ' HB ' ' B' ' 112' ' ' VAL . 13.1 tp -97.85 110.37 22.95 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.617 -0.72 . . . . 10.0 109.74 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . 0.436 ' HB3' HD12 ' B' ' 93' ' ' ILE . 21.5 m -86.61 99.29 11.61 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.845 -0.428 . . . . 10.0 109.845 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 94.5 t -105.55 122.66 59.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 112.215 0.45 . . . . 10.0 112.215 -179.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 43.1 p90 -129.71 165.24 22.25 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.038 -0.727 . . . . 10.0 109.038 178.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.43 ' HB1' ' OD1' ' B' ' 85' ' ' ASN . . . -103.97 135.0 46.31 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 110.318 -0.253 . . . . 10.0 110.318 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . 0.591 HD13 ' HA ' ' B' ' 118' ' ' CYS . 16.3 pt -68.27 -14.05 17.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.886 0.374 . . . . 10.0 111.305 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . 0.43 ' OD1' ' HB1' ' B' ' 83' ' ' ALA . 22.3 p-10 -105.64 14.12 28.88 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.261 179.332 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -135.58 97.2 3.61 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.287 0.565 . . . . 10.0 110.784 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.36 -32.68 73.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.943 -0.571 . . . . 10.0 111.863 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 20.2 tptp -62.74 -44.91 94.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.338 -0.392 . . . . 10.0 110.73 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . 0.473 ' O ' HG12 ' B' ' 93' ' ' ILE . 90.2 p -64.35 -35.02 79.52 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.838 0.352 . . . . 10.0 111.792 -179.36 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -63.2 -46.1 88.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.805 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -74.05 -33.67 63.79 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.034 -0.53 . . . . 10.0 111.136 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.91 -27.92 67.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.951 -0.568 . . . . 10.0 111.436 -179.45 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 93' ' ' ILE . . . . . 0.473 HG12 ' O ' ' B' ' 89' ' ' SER . 34.7 mm -59.43 -39.36 78.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.054 179.729 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -62.3 -41.61 98.66 Favored 'General case' 0 C--O 1.232 0.179 0 N-CA-C 109.964 -0.384 . . . . 10.0 109.964 179.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 70.8 m-70 -63.47 -40.14 96.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.872 -0.604 . . . . 10.0 110.195 179.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -65.26 -41.03 94.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.87 -0.604 . . . . 10.0 109.794 178.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -57.66 -46.89 83.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.729 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -66.09 -35.4 80.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.758 -0.656 . . . . 10.0 110.633 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 99' ' ' GLN . . . . . 0.441 ' O ' HG23 ' B' ' 103' ' ' VAL . 2.0 tp60 -64.72 -51.9 59.96 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.55 179.372 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 68.3 mt -55.82 -45.35 79.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-N 116.028 -0.533 . . . . 10.0 111.076 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 14.6 mtmt -60.92 -34.08 74.14 Favored 'General case' 0 CA--C 1.522 -0.113 0 CA-C-N 116.11 -0.496 . . . . 10.0 111.943 -179.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -78.77 -42.05 28.97 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.461 -0.336 . . . . 10.0 111.128 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . 0.441 HG23 ' O ' ' B' ' 99' ' ' GLN . 97.1 t -63.57 -51.99 63.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.504 -0.316 . . . . 10.0 111.538 -179.533 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -81.91 -23.06 36.45 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.437 0.532 . . . . 10.0 112.437 -178.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 25.0 t70 63.15 79.64 0.25 Allowed 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 116.066 -0.515 . . . . 10.0 110.654 -179.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 33.3 t -170.96 150.01 3.05 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.748 -0.66 . . . . 10.0 109.59 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -90.68 -23.96 20.59 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.592 0.711 . . . . 10.0 109.223 178.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.86 113.43 26.91 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.434 -0.803 . . . . 10.0 109.842 179.36 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 0.405 ' HA ' ' HD3' ' B' ' 110' ' ' PRO . 88.0 t -133.24 127.27 19.85 Favored Pre-proline 0 C--N 1.325 -0.461 0 N-CA-C 109.331 -0.618 . . . . 10.0 109.331 -179.492 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 110' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 20.5 Cg_exo -66.72 101.93 0.59 Allowed 'Trans proline' 0 C--O 1.236 0.406 0 C-N-CA 122.796 2.331 . . . . 10.0 111.613 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 111' ' ' MET . . . . . 0.592 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 43.6 mtm -132.49 155.43 48.59 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.811 -0.632 . . . . 10.0 111.095 -179.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . 0.463 ' HB ' HD12 ' B' ' 79' ' ' LEU . 77.5 t -136.39 128.68 45.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 108.839 -0.8 . . . . 10.0 108.839 179.203 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 15.2 tp -87.41 113.65 23.3 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.513 -0.551 . . . . 10.0 109.513 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 89.4 t -119.88 122.13 67.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-O 121.076 0.465 . . . . 10.0 111.82 -178.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -99.66 124.91 8.39 Favored Glycine 0 N--CA 1.442 -0.954 0 N-CA-C 109.552 -1.419 . . . . 10.0 109.552 178.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -105.85 164.18 12.14 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 117.071 0.435 . . . . 10.0 111.196 -179.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . 0.443 ' HB3' HD12 ' B' ' 120' ' ' LEU . 45.7 mttm 69.52 30.8 3.92 Favored 'General case' 0 N--CA 1.461 0.111 0 O-C-N 123.853 0.721 . . . . 10.0 111.762 179.364 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 118' ' ' CYS . . . . . 0.591 ' HA ' HD13 ' B' ' 84' ' ' ILE . 88.4 m -66.53 -19.92 65.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.326 -0.397 . . . . 10.0 111.663 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.03 -13.94 60.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.3 -0.409 . . . . 10.0 111.437 179.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . 0.443 HD12 ' HB3' ' B' ' 117' ' ' LYS . 63.0 mt -76.93 139.93 66.36 Favored Pre-proline 0 N--CA 1.454 -0.26 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.685 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_endo -80.24 164.11 22.04 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 122.666 2.244 . . . . 10.0 112.204 179.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 1.4 m 59.54 57.36 3.31 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.786 -0.643 . . . . 10.0 111.253 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 123' ' ' ARG . . . . . 0.54 ' HB3' HD12 ' B' ' 84' ' ' ILE . 6.7 ptp180 -62.64 131.57 49.43 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.894 -0.594 . . . . 10.0 111.73 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 1.8 m -82.66 -40.99 19.95 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.596 -0.729 . . . . 10.0 109.503 179.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 62.7 t -93.92 129.44 44.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.064 -0.516 . . . . 10.0 109.726 179.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . 0.445 ' O ' ' HG2' ' B' ' 129' ' ' GLN . 8.1 t70 -88.07 142.71 27.56 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.183 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . 0.638 HG23 ' HE2' ' B' ' 141' ' ' PHE . 9.9 m -62.4 -39.31 92.83 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.279 -0.418 . . . . 10.0 111.499 -179.276 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -61.72 -44.66 96.49 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.18 0.437 . . . . 10.0 112.18 -178.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . 0.445 ' HG2' ' O ' ' B' ' 126' ' ' ASP . 5.3 pt20 -67.48 -29.75 69.27 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.586 -0.446 . . . . 10.0 111.091 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -74.72 -35.42 62.68 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.553 -0.536 . . . . 10.0 109.553 178.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -65.2 -42.05 93.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.453 179.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -62.55 -41.87 99.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.095 -0.502 . . . . 10.0 109.81 178.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 14.8 tp -64.32 -44.48 91.43 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.861 -0.609 . . . . 10.0 109.564 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.13 -38.85 92.79 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.303 178.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 8.0 ttm180 -64.11 -35.05 79.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.859 -0.609 . . . . 10.0 110.195 179.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 15.7 m -69.08 -36.63 77.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.719 -0.673 . . . . 10.0 110.717 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -79.09 -42.44 26.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.018 0.437 . . . . 10.0 110.26 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 107.67 -1.53 34.21 Favored Glycine 0 N--CA 1.449 -0.449 0 N-CA-C 110.702 -0.959 . . . . 10.0 110.702 -178.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 42.7 pt -90.28 160.16 40.39 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 115.341 -0.429 . . . . 10.0 111.293 -179.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -82.39 152.16 15.64 Favored 'Trans proline' 0 N--CA 1.46 -0.494 0 C-N-CA 123.028 2.485 . . . . 10.0 111.904 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 141' ' ' PHE . . . . . 0.638 ' HE2' HG23 ' B' ' 127' ' ' THR . 45.5 t80 -119.76 128.57 53.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.369 179.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 31.5 mt -129.47 132.17 66.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.466 -0.334 . . . . 10.0 111.363 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -96.88 124.66 40.92 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.051 -0.722 . . . . 10.0 109.051 178.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 27.0 p -142.81 176.01 9.38 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.617 0.599 . . . . 10.0 112.617 -178.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -149.19 119.79 7.47 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-N 114.911 -1.04 . . . . 10.0 108.888 178.433 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 146' ' ' ALA . . . . . 0.544 ' HB3' ' N7 ' ' B' ' 201' ' ' GSP . . . -65.74 -38.59 89.54 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.951 0.405 . . . . 10.0 110.55 -179.365 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 147' ' ' LYS . . . . . 0.468 ' HB3' ' HE2' ' B' ' 147' ' ' LYS . 17.9 ttpt -62.95 -31.52 72.63 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.619 -0.718 . . . . 10.0 112.001 -179.563 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.87 -14.1 30.24 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 112.938 0.718 . . . . 10.0 112.938 -178.553 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 149' ' ' ARG . . . . . 0.747 HH21 ' HB ' ' B' ' 152' ' ' VAL . 3.1 tpm_? 59.15 39.0 23.49 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 121.64 0.733 . . . . 10.0 110.335 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -124.69 131.01 53.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.899 -0.591 . . . . 10.0 111.616 -179.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 77.88 -16.37 6.98 Favored Glycine 0 C--N 1.333 0.373 0 CA-C-N 115.894 -0.593 . . . . 10.0 114.117 178.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 152' ' ' VAL . . . . . 0.747 ' HB ' HH21 ' B' ' 149' ' ' ARG . 45.2 t -60.93 -40.25 84.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 120.807 0.337 . . . . 10.0 111.769 -178.693 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -62.67 -39.57 94.35 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.596 -0.52 . . . . 10.0 109.596 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -70.1 -36.4 74.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.31 -0.859 . . . . 10.0 111.961 -178.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -56.57 -49.45 74.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.522 -0.308 . . . . 10.0 111.105 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 156' ' ' PHE . . . . . 0.418 ' CD2' HD22 ' B' ' 23' ' ' LEU . 72.1 m-85 -68.4 -38.8 81.62 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 116.123 -0.49 . . . . 10.0 110.344 179.532 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -58.34 -42.15 86.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.918 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 23.7 m -64.73 -41.61 95.82 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.725 -0.67 . . . . 10.0 111.62 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 159' ' ' LEU . . . . . 0.417 ' O ' HG13 ' B' ' 163' ' ' ILE . 36.0 tp -60.1 -42.56 94.93 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.928 0.394 . . . . 10.0 110.961 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 96.7 t -65.39 -40.47 88.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.209 0.528 . . . . 10.0 110.483 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 11.3 ttp180 -65.56 -33.61 76.32 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.653 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -65.84 -35.81 81.71 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.496 179.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 163' ' ' ILE . . . . . 0.417 HG13 ' O ' ' B' ' 159' ' ' LEU . 58.0 mt -65.94 -35.52 75.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.086 0.469 . . . . 10.0 110.058 178.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 14.7 mtt85 -67.75 -32.97 73.93 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.326 -0.62 . . . . 10.0 109.326 178.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 18.2 ttmt -69.22 -40.59 77.88 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 108.787 -0.82 . . . . 10.0 108.787 178.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -61.96 -47.86 82.95 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.342 -0.844 . . . . 10.0 110.641 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -79.44 24.08 0.37 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.919 0.711 . . . . 10.0 112.919 -178.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -141.2 -55.08 0.48 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.924 0.392 . . . . 10.0 110.311 179.118 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 32.7 mtpt -71.14 -22.26 62.09 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.384 -179.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 7.0 ttt -85.74 -9.52 57.0 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.363 0.602 . . . . 10.0 110.292 179.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 171' ' ' SER . . . . . 0.617 ' HB3' ' HB2' ' B' ' 180' ' ' LYS . 4.5 m -86.86 11.38 13.49 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.363 0.601 . . . . 10.0 110.171 179.567 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 32.2 mtpt -140.26 -43.28 0.41 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.215 -0.902 . . . . 10.0 109.403 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 173' ' ' ASP . . . . . . . . . . . . 0.357 3.3 p30 43.46 -104.51 0.07 Allowed 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 114.338 1.236 . . . . 10.0 114.338 -179.176 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 174' ' ' GLY . . . . . 0.491 ' O ' ' HD2' ' C' ' 176' ' ' LYS . . . -129.87 33.67 2.91 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.754 -0.736 . . . . 10.0 111.869 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 175' ' ' LYS . . . . . 0.422 ' C ' ' H ' ' B' ' 177' ' ' LYS . 44.1 tptt 71.89 165.55 0.29 Allowed 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 122.905 0.482 . . . . 10.0 110.776 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 176' ' ' LYS . . . . . 0.901 ' NZ ' H331 ' C' ' 211' ' ' PCW . 24.3 tttm 78.12 -25.5 0.19 Allowed 'General case' 0 C--O 1.234 0.265 0 C-N-CA 122.935 0.494 . . . . 10.0 110.733 -179.487 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 177' ' ' LYS . . . . . 0.422 ' H ' ' C ' ' B' ' 175' ' ' LYS . 4.9 ttpm? -130.99 170.02 15.04 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 108.792 -0.818 . . . . 10.0 108.792 178.493 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 41.3 pttt -176.82 111.59 0.09 Allowed 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.776 -0.453 . . . . 10.0 109.776 -179.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 179' ' ' LYS . . . . . 0.519 ' HA ' ' HD2' ' B' ' 179' ' ' LYS . 17.5 tptt -91.12 85.72 5.99 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.197 -0.601 . . . . 10.0 111.267 179.545 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 180' ' ' LYS . . . . . 0.617 ' HB2' ' HB3' ' B' ' 171' ' ' SER . 31.7 tptt -169.79 151.85 4.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.499 -0.773 . . . . 10.0 109.96 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 1.4 m -92.48 -135.98 0.16 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.499 -0.319 . . . . 10.0 111.097 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp 70.42 86.5 0.12 Allowed 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.088 0.555 . . . . 10.0 112.074 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 6.4 t -97.06 163.03 13.11 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.951 -0.568 . . . . 10.0 111.353 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 184' ' ' LYS . . . . . 0.411 ' HB3' ' HE3' ' B' ' 184' ' ' LYS . 23.9 ttpp . . . . . 0 C--N 1.328 -0.358 0 CA-C-O 121.357 0.598 . . . . 10.0 111.741 -179.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 CA--C 1.529 0.172 0 CA-C-O 120.732 0.301 . . . . 10.0 110.892 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 2' ' ' THR . . . . . 0.484 ' HB ' ' CE2' ' C' ' 4' ' ' TYR . 0.0 OUTLIER -76.63 126.74 31.51 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 116.577 -0.283 . . . . 10.0 110.296 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -90.09 135.13 33.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.773 0.32 . . . . 10.0 111.013 -179.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 4' ' ' TYR . . . . . 0.484 ' CE2' ' HB ' ' C' ' 2' ' ' THR . 99.1 m-85 -131.43 114.74 15.32 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.132 -0.485 . . . . 10.0 109.826 179.398 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 58.5 mttm -85.39 112.23 20.65 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.907 0.384 . . . . 10.0 110.915 -179.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . 0.477 ' O ' ' HA ' ' C' ' 55' ' ' ILE . 13.7 mt -116.6 129.87 56.41 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.979 -178.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 39.3 t -120.33 130.0 74.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.346 -0.388 . . . . 10.0 110.456 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.685 HG12 ' HD2' ' C' ' 16' ' ' LYS . 3.1 t -95.98 119.69 44.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 109.33 -0.619 . . . . 10.0 109.33 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 29.6 m -120.19 149.72 22.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.9 0.381 . . . . 10.0 111.136 -179.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 153.79 161.47 10.42 Favored Glycine 0 N--CA 1.448 -0.539 0 CA-C-N 115.703 -0.68 . . . . 10.0 111.759 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.52 155.16 22.73 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.015 0.436 . . . . 10.0 111.002 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.17 144.08 40.74 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.905 0.383 . . . . 10.0 110.803 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 97.88 -22.82 38.83 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.458 -0.877 . . . . 10.0 112.835 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 14' ' ' VAL . . . . . 0.455 HG11 ' HB3' ' C' ' 89' ' ' SER . 3.4 m -76.95 -17.43 14.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.78 0.29 . . . . 10.0 111.75 -179.284 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . 0.439 ' O ' ' HG2' ' C' ' 16' ' ' LYS . . . 98.64 118.97 4.05 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.416 -0.897 . . . . 10.0 112.378 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . 0.685 ' HD2' HG12 ' C' ' 8' ' ' VAL . 17.7 mtmm -151.81 -49.47 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.232 0.539 . . . . 10.0 109.832 -179.437 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 17' ' ' SER . . . . . 0.465 ' N ' ' O1A' ' C' ' 201' ' ' GSP . 0.1 OUTLIER -68.08 -43.97 77.35 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 115.71 -0.677 . . . . 10.0 110.034 179.616 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.44 -41.76 85.81 Favored 'General case' 0 CA--C 1.528 0.103 0 CA-C-N 116.222 -0.445 . . . . 10.0 110.793 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 78.6 mt -57.6 -46.65 83.8 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 121.28 0.562 . . . . 10.0 110.34 178.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 5.3 m -70.36 -43.51 70.03 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.458 -0.792 . . . . 10.0 111.024 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 92.5 mt -62.04 -31.72 52.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.276 -0.42 . . . . 10.0 111.056 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 22' ' ' GLN . . . . . 0.573 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 4.1 mm-40 -63.87 -17.49 63.22 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.165 0.431 . . . . 10.0 112.165 179.563 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.779 ' HG ' ' HE2' ' C' ' 42' ' ' LYS . 17.6 tp -104.97 -30.06 10.05 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.22 -0.445 . . . . 10.0 110.216 179.044 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 24' ' ' ILE . . . . . 0.403 HD13 ' HD2' ' C' ' 42' ' ' LYS . 41.6 mm -80.29 -66.02 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.068 -0.515 . . . . 10.0 110.914 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 25' ' ' GLN . . . . . 0.42 ' HB2' ' HD2' ' C' ' 27' ' ' HIS . 75.9 mt-30 -91.34 -10.65 40.51 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.198 -0.455 . . . . 10.0 110.495 -179.558 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 26' ' ' ASN . . . . . 0.573 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 56.2 m-80 60.05 51.56 5.72 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.099 -0.955 . . . . 10.0 113.415 178.223 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 27' ' ' HIS . . . . . 0.42 ' HD2' ' HB2' ' C' ' 25' ' ' GLN . 3.2 p80 -156.25 155.18 31.91 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.755 -0.202 . . . . 10.0 111.345 178.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -94.39 119.43 33.12 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.976 0.417 . . . . 10.0 111.871 -179.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 44.2 t -92.71 99.69 10.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.596 -0.729 . . . . 10.0 109.47 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -77.19 -28.19 53.88 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.061 -0.518 . . . . 10.0 111.794 -179.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -76.41 106.62 8.14 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.352 -0.385 . . . . 10.0 110.422 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 32' ' ' TYR . . . . . 0.54 ' CD1' H5'2 ' C' ' 201' ' ' GSP . 86.5 t80 -58.85 119.43 7.17 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.101 0.477 . . . . 10.0 111.629 -179.455 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . 0.446 ' O ' ' S1G' ' C' ' 201' ' ' GSP . 36.2 t70 -131.81 111.54 14.73 Favored Pre-proline 0 C--N 1.32 -0.696 0 CA-C-N 115.824 -0.625 . . . . 10.0 109.944 178.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -48.51 137.71 25.32 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 123.352 2.701 . . . . 10.0 112.699 -179.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.64 95.15 3.42 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.718 -0.673 . . . . 10.0 110.326 -179.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . 0.702 ' HA ' ' HB2' ' C' ' 59' ' ' ALA . 4.5 tt -75.68 -37.63 36.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.898 -0.592 . . . . 10.0 111.501 -179.521 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -155.4 114.42 3.57 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.253 -0.43 . . . . 10.0 110.31 -179.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -158.73 125.37 4.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.501 -0.318 . . . . 10.0 110.241 179.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 1.3 p -119.83 137.33 54.05 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.014 0.435 . . . . 10.0 111.407 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -118.32 143.87 46.28 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.0 -0.546 . . . . 10.0 109.852 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -117.81 132.31 56.46 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.459 -0.337 . . . . 10.0 110.336 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 42' ' ' LYS . . . . . 0.779 ' HE2' ' HG ' ' C' ' 23' ' ' LEU . 59.0 tttp -146.7 135.87 22.62 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.758 -179.378 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . 0.465 ' HG2' HG22 ' C' ' 50' ' ' THR . 11.6 tt0 -108.89 118.39 36.66 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.28 -0.637 . . . . 10.0 109.28 179.44 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 15.1 m -133.98 162.68 38.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.915 0.388 . . . . 10.0 111.777 -179.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 84.8 t -93.61 112.35 26.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.246 -0.434 . . . . 10.0 110.119 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 46' ' ' ILE . . . . . 0.438 HG23 ' HD2' ' C' ' 157' ' ' TYR . 71.9 mt -124.99 124.1 66.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 109.708 -0.478 . . . . 10.0 109.708 179.616 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 63.68 25.74 14.33 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 123.581 0.551 . . . . 10.0 111.453 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 79.28 22.38 65.33 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.886 -0.673 . . . . 10.0 112.142 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -136.81 130.33 31.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.472 0.177 . . . . 10.0 110.642 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 50' ' ' THR . . . . . 0.465 HG22 ' HG2' ' C' ' 43' ' ' GLN . 0.4 OUTLIER -70.27 117.23 11.57 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.406 -0.59 . . . . 10.0 109.406 178.749 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 4.4 m -113.43 135.66 53.64 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.503 -0.317 . . . . 10.0 111.555 -178.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 63.3 tp -98.37 104.13 16.14 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 107.513 -1.291 . . . . 10.0 107.513 178.113 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . 0.402 HD22 HD11 ' C' ' 6' ' ' LEU . 52.3 mt -91.3 126.8 36.49 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 113.023 0.749 . . . . 10.0 113.023 -177.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -107.91 93.93 4.8 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 107.021 -1.474 . . . . 10.0 107.021 177.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 55' ' ' ILE . . . . . 0.477 ' HA ' ' O ' ' C' ' 6' ' ' LEU . 1.8 mp -100.47 129.65 50.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.315 -0.402 . . . . 10.0 111.796 -177.552 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 8.9 tp -122.44 128.16 50.55 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.82 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 57' ' ' ASP . . . . . 0.412 ' OD1' ' HE2' ' C' ' 16' ' ' LYS . 18.3 t0 -96.73 132.73 42.12 Favored 'General case' 0 CA--C 1.519 -0.227 0 N-CA-C 108.761 -0.829 . . . . 10.0 108.761 178.139 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 30.4 p -111.09 154.44 24.25 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.905 0.383 . . . . 10.0 110.518 -179.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 59' ' ' ALA . . . . . 0.702 ' HB2' ' HA ' ' C' ' 36' ' ' ILE . . . -78.6 130.5 35.99 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.104 0.478 . . . . 10.0 110.637 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -92.0 27.04 10.72 Favored Glycine 0 N--CA 1.447 -0.603 0 N-CA-C 111.138 -0.785 . . . . 10.0 111.138 179.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -77.02 -7.96 56.58 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 122.426 0.29 . . . . 10.0 111.043 -179.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 62' ' ' GLU . . . . . 0.452 ' CD ' HH12 ' C' ' 68' ' ' ARG . 16.6 mm-40 67.98 -170.17 0.19 Allowed 'General case' 0 C--O 1.234 0.265 0 O-C-N 123.782 0.676 . . . . 10.0 110.677 -178.304 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 63.16 39.82 9.47 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-O 121.374 0.607 . . . . 10.0 110.348 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 64' ' ' TYR . . . . . 0.444 ' HB3' ' HB3' ' C' ' 67' ' ' MET . 37.7 m-85 -128.79 45.05 2.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.371 -0.831 . . . . 10.0 108.838 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -52.69 -39.01 61.54 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.889 -1.051 . . . . 10.0 113.075 -178.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -97.69 -35.34 10.6 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.211 0.448 . . . . 10.0 112.211 -179.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 67' ' ' MET . . . . . 0.444 ' HB3' ' HB3' ' C' ' 64' ' ' TYR . 23.3 ttt -60.74 -34.07 73.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.402 -0.363 . . . . 10.0 111.341 -179.278 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 68' ' ' ARG . . . . . 0.549 ' HG2' ' HE3' ' C' ' 72' ' ' MET . 3.1 tpp180 -59.91 -45.85 91.24 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.886 0.374 . . . . 10.0 111.439 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -56.55 -35.38 68.07 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.565 -0.743 . . . . 10.0 112.192 -179.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -59.09 -57.1 14.55 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 112.471 0.545 . . . . 10.0 112.471 -179.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 71' ' ' TYR . . . . . 0.529 ' CZ ' ' HA ' ' C' ' 68' ' ' ARG . 14.5 p90 -78.34 -27.98 47.14 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 113.231 0.826 . . . . 10.0 113.231 -178.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 72' ' ' MET . . . . . 0.549 ' HE3' ' HG2' ' C' ' 68' ' ' ARG . 47.7 mtt -65.8 -27.65 68.42 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.41 0.624 . . . . 10.0 111.022 179.326 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 73' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' C' ' 73' ' ' ARG . 6.4 ttm180 -81.58 -16.84 50.36 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.709 -0.678 . . . . 10.0 110.646 179.45 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 13.5 m -98.11 -48.53 5.08 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.475 0.546 . . . . 10.0 112.475 -179.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -62.17 149.9 47.13 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 121.233 -0.508 . . . . 10.0 113.954 -179.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -102.86 -55.23 2.47 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.818 -0.438 . . . . 10.0 109.818 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -106.17 123.05 7.3 Favored Glycine 0 N--CA 1.443 -0.874 0 N-CA-C 111.109 -0.796 . . . . 10.0 111.109 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 78' ' ' PHE . . . . . 0.471 ' HB2' ' HG2' ' C' ' 111' ' ' MET . 93.0 m-85 -107.16 130.71 54.67 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.135 0.493 . . . . 10.0 111.291 -179.147 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . 0.48 HD12 ' HB ' ' C' ' 112' ' ' VAL . 7.2 tp -99.69 113.49 25.99 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.256 179.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 80' ' ' CYS . . . . . 0.584 ' HB3' HD12 ' C' ' 93' ' ' ILE . 3.7 m -88.73 103.89 16.38 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.076 -0.511 . . . . 10.0 109.661 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 18.8 t -106.3 137.4 36.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.292 0.567 . . . . 10.0 111.751 -178.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -143.55 160.57 40.38 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.528 -0.76 . . . . 10.0 108.95 178.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 83' ' ' ALA . . . . . 0.519 ' HB3' ' HB3' ' C' ' 86' ' ' ASN . . . -96.31 134.17 39.77 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.889 -0.325 . . . . 10.0 110.129 179.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 84' ' ' ILE . . . . . 0.62 HD13 ' HA ' ' C' ' 118' ' ' CYS . 18.8 pt -60.86 -22.05 25.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 112.267 0.469 . . . . 10.0 112.267 -179.434 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -108.47 23.83 13.94 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.254 0.55 . . . . 10.0 110.716 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 86' ' ' ASN . . . . . 0.519 ' HB3' ' HB3' ' C' ' 83' ' ' ALA . 40.9 t-20 -139.76 96.29 3.05 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.78 -0.645 . . . . 10.0 110.012 179.442 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 4.8 m -64.96 -32.45 74.18 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.844 -0.616 . . . . 10.0 111.446 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 88' ' ' LYS . . . . . 0.443 ' HB3' ' OD1' ' C' ' 86' ' ' ASN . 19.9 tptp -56.49 -48.38 77.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.259 -0.428 . . . . 10.0 110.721 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . 0.455 ' HB3' HG11 ' C' ' 14' ' ' VAL . 56.9 p -64.25 -31.52 72.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.869 -0.605 . . . . 10.0 111.53 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -68.68 -42.75 77.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.999 0.428 . . . . 10.0 110.251 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -65.94 -36.36 83.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.769 -0.65 . . . . 10.0 110.392 179.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.19 -25.92 68.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.481 -0.781 . . . . 10.0 112.079 -179.592 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 93' ' ' ILE . . . . . 0.584 HD12 ' HB3' ' C' ' 80' ' ' CYS . 40.8 mm -55.19 -42.75 67.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 O-C-N 123.257 0.348 . . . . 10.0 110.702 179.64 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -60.58 -49.84 75.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.217 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -60.22 -46.98 87.9 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.878 -0.601 . . . . 10.0 111.5 -179.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -60.89 -43.07 99.01 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.614 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 97' ' ' ARG . . . . . 0.518 ' NH1' ' HE2' ' C' ' 101' ' ' LYS . 15.1 ttt-85 -61.43 -47.41 85.87 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.249 -0.432 . . . . 10.0 111.05 -179.602 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . 0.515 ' HA ' ' HE3' ' C' ' 101' ' ' LYS . 26.9 mm-40 -64.0 -38.18 90.15 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.197 -0.456 . . . . 10.0 111.646 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -66.39 -43.28 86.27 Favored 'General case' 0 C--N 1.331 -0.198 0 O-C-N 123.151 0.282 . . . . 10.0 110.765 179.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 84.6 mt -56.44 -46.14 82.02 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 CA-C-O 121.065 0.46 . . . . 10.0 109.883 179.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 101' ' ' LYS . . . . . 0.518 ' HE2' ' NH1' ' C' ' 97' ' ' ARG . 5.0 mtmp? -66.26 -28.36 68.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.626 -0.715 . . . . 10.0 111.713 -179.56 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? -76.74 -40.05 49.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.17 0.51 . . . . 10.0 109.997 179.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 72.1 t -67.05 -47.57 81.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.067 -0.515 . . . . 10.0 111.038 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -80.31 -13.05 59.5 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.286 -0.416 . . . . 10.0 111.551 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 31.2 t0 58.58 45.56 16.01 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.763 -0.653 . . . . 10.0 111.123 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 7.4 t -148.9 154.52 39.56 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.815 -0.63 . . . . 10.0 110.085 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -98.03 -15.34 20.09 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.117 0.484 . . . . 10.0 110.431 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -106.9 96.41 6.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.758 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 109' ' ' VAL . . . . . 0.419 ' HA ' ' HD3' ' C' ' 110' ' ' PRO . 46.9 t -129.77 128.47 22.98 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 115.847 -0.615 . . . . 10.0 109.655 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 110' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' C' ' 109' ' ' VAL . 24.1 Cg_exo -64.97 112.4 2.01 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.741 2.294 . . . . 10.0 111.478 179.079 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 111' ' ' MET . . . . . 0.471 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 44.5 mtm -138.79 152.79 48.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.397 -179.645 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 112' ' ' VAL . . . . . 0.48 ' HB ' HD12 ' C' ' 79' ' ' LEU . 88.5 t -133.21 130.75 57.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.032 -0.531 . . . . 10.0 109.84 179.381 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 30.0 tp -90.0 122.47 33.04 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.586 -0.524 . . . . 10.0 109.586 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 93.0 t -125.75 129.97 72.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.041 0.448 . . . . 10.0 111.703 -178.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -102.83 107.72 3.15 Favored Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 110.228 -1.149 . . . . 10.0 110.228 178.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -87.42 162.19 17.44 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-O 120.841 0.353 . . . . 10.0 111.631 -178.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 117' ' ' LYS . . . . . 0.72 ' HE2' ' C4 ' ' C' ' 201' ' ' GSP . 86.0 mttt 64.4 34.81 10.11 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.42 -0.809 . . . . 10.0 111.726 179.391 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 118' ' ' CYS . . . . . 0.62 ' HA ' HD13 ' C' ' 84' ' ' ILE . 1.6 m -67.63 -8.9 38.45 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.277 -0.419 . . . . 10.0 112.074 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -91.32 5.06 50.72 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.499 -0.318 . . . . 10.0 110.819 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 33.2 mt -91.09 145.44 31.65 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 116.344 -0.389 . . . . 10.0 110.697 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -84.62 164.27 12.32 Favored 'Trans proline' 0 N--CA 1.46 -0.445 0 C-N-CA 122.617 2.212 . . . . 10.0 111.548 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 18.4 m 57.93 56.5 4.67 Favored 'General case' 0 C--O 1.233 0.199 0 O-C-N 123.828 0.705 . . . . 10.0 111.836 179.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 123' ' ' ARG . . . . . 0.607 ' HB3' HD12 ' C' ' 84' ' ' ILE . 5.7 ptp180 -68.73 141.1 55.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.821 -0.627 . . . . 10.0 110.822 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -93.27 -39.31 11.05 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.972 -179.513 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 46.7 t -94.73 129.43 44.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.929 0.395 . . . . 10.0 110.386 179.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -84.51 150.51 25.21 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.186 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 127' ' ' THR . . . . . 0.614 HG23 ' HE2' ' C' ' 141' ' ' PHE . 7.0 m -67.82 -35.21 78.21 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.602 -0.272 . . . . 10.0 111.024 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 128' ' ' LYS . . . . . 0.638 ' HB3' ' HA ' ' B' ' 47' ' ' ASP . 0.0 OUTLIER -58.99 -50.66 73.24 Favored 'General case' 0 C--O 1.227 -0.094 0 CA-C-N 116.352 -0.386 . . . . 10.0 111.494 -179.574 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -63.68 -35.85 81.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.732 0.301 . . . . 10.0 111.498 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.7 -39.4 84.38 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.052 0.453 . . . . 10.0 109.861 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -72.05 -44.03 63.99 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.924 -0.58 . . . . 10.0 111.115 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 132' ' ' ASP . . . . . 0.704 ' HB2' ' HB3' ' B' ' 47' ' ' ASP . 37.5 t70 -60.27 -39.71 87.78 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.655 179.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 26.8 tp -67.99 -44.3 76.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 10.0 109.96 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.79 -32.74 74.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.673 -0.694 . . . . 10.0 110.192 179.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -58.0 -48.58 79.61 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.552 -0.749 . . . . 10.0 110.633 179.379 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 13.1 m -73.29 -22.89 60.25 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.941 -0.572 . . . . 10.0 111.318 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 7.4 m-30 -80.14 -27.03 39.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.238 0.542 . . . . 10.0 109.827 179.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 85.03 19.29 59.5 Favored Glycine 0 C--N 1.32 -0.347 0 N-CA-C 111.275 -0.73 . . . . 10.0 111.275 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 39.2 pt -117.21 157.93 45.77 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 115.845 -0.178 . . . . 10.0 110.594 -179.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -85.7 159.62 10.61 Favored 'Trans proline' 0 N--CA 1.462 -0.344 0 C-N-CA 122.532 2.155 . . . . 10.0 112.411 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 141' ' ' PHE . . . . . 0.614 ' HE2' HG23 ' C' ' 127' ' ' THR . 47.7 t80 -125.25 132.14 53.0 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.148 -0.478 . . . . 10.0 109.769 179.387 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 19.6 mt -128.72 139.29 52.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.444 -0.343 . . . . 10.0 110.703 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -98.39 128.23 44.69 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.727 -0.842 . . . . 10.0 108.727 178.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 41.9 p -133.41 -177.28 4.46 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.717 0.77 . . . . 10.0 112.887 -178.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 5.6 t -167.94 116.31 0.75 Allowed 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 107.208 -1.404 . . . . 10.0 107.208 179.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 146' ' ' ALA . . . . . 0.433 ' N ' ' O6 ' ' C' ' 201' ' ' GSP . . . -72.18 -22.41 61.29 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.497 -0.557 . . . . 10.0 109.497 179.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -65.65 -43.65 88.78 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.389 -0.823 . . . . 10.0 111.29 179.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 12.6 p -100.83 -17.48 16.86 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.508 -0.315 . . . . 10.0 111.761 -179.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 149' ' ' ARG . . . . . 0.4 ' O ' ' HG3' ' C' ' 149' ' ' ARG . 0.5 OUTLIER 67.43 9.85 7.32 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-O 121.895 0.855 . . . . 10.0 110.751 -178.406 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -71.6 105.96 3.85 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.743 -1.117 . . . . 10.0 112.001 -178.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 86.79 4.22 82.68 Favored Glycine 0 CA--C 1.517 0.205 0 C-N-CA 120.933 -0.651 . . . . 10.0 114.188 178.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 72.2 t -62.32 -43.22 97.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 117.207 0.503 . . . . 10.0 111.432 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.66 -29.14 68.35 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.321 -0.4 . . . . 10.0 111.717 -179.354 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -58.34 -34.78 71.02 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.825 0.345 . . . . 10.0 110.925 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.75 -39.3 91.11 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.115 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -69.7 -45.52 68.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.275 179.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 157' ' ' TYR . . . . . 0.438 ' HD2' HG23 ' C' ' 46' ' ' ILE . 55.2 m-85 -58.29 -49.33 77.51 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.327 179.713 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 158' ' ' THR . . . . . 0.446 ' O ' ' HG2' ' C' ' 162' ' ' GLU . 43.4 m -66.52 -40.21 89.06 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.38 -0.827 . . . . 10.0 112.188 -179.495 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 16.8 tp -59.68 -42.93 94.02 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.976 0.417 . . . . 10.0 110.751 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 92.1 t -68.05 -36.43 75.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.043 178.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 28.2 ttp-105 -62.13 -37.47 85.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.715 -0.675 . . . . 10.0 110.822 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 162' ' ' GLU . . . . . 0.727 ' HA ' ' HE2' ' C' ' 165' ' ' LYS . 69.3 mm-40 -64.34 -45.14 89.15 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.189 -0.459 . . . . 10.0 110.311 179.207 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 65.6 mt -63.28 -39.87 86.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.126 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 164' ' ' ARG . . . . . 0.479 ' O ' ' HG3' ' C' ' 168' ' ' GLU . 46.1 mtt85 -60.8 -47.7 85.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.326 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 165' ' ' LYS . . . . . 0.727 ' HE2' ' HA ' ' C' ' 162' ' ' GLU . 44.2 mtmt -60.58 -38.02 83.24 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 120.971 0.415 . . . . 10.0 110.514 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -65.04 -23.67 67.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.365 -0.834 . . . . 10.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -110.26 17.29 21.07 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.184 -0.462 . . . . 10.0 111.321 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 168' ' ' GLU . . . . . 0.479 ' HG3' ' O ' ' C' ' 164' ' ' ARG . 23.5 mt-10 -125.32 -71.15 0.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.713 178.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -60.21 -33.61 72.48 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 121.099 0.476 . . . . 10.0 110.959 -179.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 87.3 mmm -82.06 -21.51 36.84 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.757 -0.656 . . . . 10.0 112.25 -178.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 43.0 m -73.19 -2.11 20.34 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.089 0.471 . . . . 10.0 112.132 -179.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 62.9 mtpt -95.61 23.95 5.68 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.196 -0.456 . . . . 10.0 109.846 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 173' ' ' ASP . . . . . 0.77 ' OD2' ' H52' ' C' ' 212' ' ' PCW 0.286 1.7 p30 50.39 -98.81 0.06 Allowed 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 114.103 1.149 . . . . 10.0 114.103 179.792 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 174' ' ' GLY . . . . . 0.475 ' O ' ' HA ' ' C' ' 178' ' ' LYS . . . 148.85 146.55 4.35 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.189 -1.005 . . . . 10.0 113.185 179.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 175' ' ' LYS . . . . . 0.781 ' HA ' ' H12' ' C' ' 212' ' ' PCW . 15.2 ptpt -78.92 -173.41 3.51 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.506 -0.347 . . . . 10.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 176' ' ' LYS . . . . . 0.491 ' HD2' ' O ' ' B' ' 174' ' ' GLY . 39.9 mtpt 73.25 -78.86 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 113.513 0.931 . . . . 10.0 113.513 178.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 177' ' ' LYS . . . . . 0.549 ' HG3' ' O8 ' ' B' ' 210' ' ' 17F . 8.4 ttmm -101.71 -15.54 16.96 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.024 0.379 . . . . 10.0 112.024 -178.002 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 178' ' ' LYS . . . . . 0.911 ' HE3' ' H31' ' C' ' 212' ' ' PCW . 56.0 mttt 64.91 103.95 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 121.255 0.55 . . . . 10.0 111.414 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 179' ' ' LYS . . . . . 0.464 ' HA ' ' HD3' ' C' ' 179' ' ' LYS . 47.1 mmtt -69.24 -56.7 6.81 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.238 0.458 . . . . 10.0 112.238 -179.505 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 180' ' ' LYS . . . . . . . . . . . . . 31.6 mmtm -143.48 120.88 11.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.012 0.434 . . . . 10.0 111.347 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.32 105.29 17.52 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.145 179.32 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 182' ' ' LYS . . . . . 0.508 ' HA ' ' O5 ' ' C' ' 214' ' ' 17F . 0.4 OUTLIER -113.28 132.38 55.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.442 -0.345 . . . . 10.0 110.194 -179.851 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 183' ' ' THR . . . . . 0.666 ' HA ' ' H52' ' C' ' 205' ' ' PCW . 2.8 t -54.62 125.77 21.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 123.666 0.604 . . . . 10.0 111.64 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 184' ' ' LYS . . . . . 0.905 ' H ' ' H62' ' C' ' 205' ' ' PCW . 82.8 mttt . . . . . 0 N--CA 1.465 0.319 0 CA-C-N 116.586 -0.279 . . . . 10.0 111.263 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 401' ' ' PCW . . . . . 1.042 H452 H271 ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 402' ' ' PCW . . . . . 1.057 H431 H251 ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 403' ' ' PCW . . . . . 1.155 H282 ' C23' ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 404' ' ' PCW . . . . . 1.157 H351 ' O31' ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 405' ' ' PCW . . . . . 1.093 ' H82' ' H5 ' ' B' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 406' ' ' PCW . . . . . 1.08 H471 ' H57' ' B' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 407' ' ' PCW . . . . . 1.076 H212 ' C17' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 408' ' ' PCW . . . . . 0.987 ' H32' H152 ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 409' ' ' PCW . . . . . 1.224 ' C19' H142 ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 410' ' ' PCW . . . . . 1.0 H372 H321 ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 411' ' ' PCW . . . . . 0.987 H152 ' H32' ' A' ' 408' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 412' ' ' PCW . . . . . 0.742 ' H12' ' H41' ' A' ' 412' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 413' ' ' PCW . . . . . 0.982 H341 H132 ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 414' ' ' PCW . . . . . 1.091 H371 ' H31' ' A' ' 414' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 415' ' ' 17F . . . . . 1.116 ' H50' H232 ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 416' ' ' 17F . . . . . 1.009 ' H73' H241 ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 417' ' ' PCW . . . . . 1.1 ' H19' H431 ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 418' ' ' PCW . . . . . 1.015 H221 H281 ' A' ' 405' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 419' ' ' PCW . . . . . 1.028 ' C40' H441 ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 420' ' ' PCW . . . . . 1.124 ' C37' H431 ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 421' ' ' PCW . . . . . 0.999 H372 H151 ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 422' ' ' 17F . . . . . 1.123 ' H6 ' ' C14' ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 601' ' ' PCW . . . . . 0.959 H421 H461 ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 602' ' ' PCW . . . . . 1.052 H221 H172 ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 603' ' ' PCW . . . . . 1.119 ' H41' ' H2 ' ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 604' ' ' PCW . . . . . 1.051 ' H2 ' ' H82' ' D' ' 606' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 605' ' ' PCW . . . . . 1.077 H211 H382 ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 606' ' ' PCW . . . . . 1.056 H172 H212 ' D' ' 606' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 607' ' ' PCW . . . . . 1.12 H431 H471 ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 608' ' ' PCW . . . . . 1.02 ' H42' H242 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 609' ' ' PCW . . . . . 1.01 H211 H372 ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 610' ' ' PCW . . . . . 0.943 ' H42' ' O8 ' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 611' ' ' PCW . . . . . 1.067 H212 H271 ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 612' ' ' PCW . . . . . 1.049 ' H63' H321 ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 613' ' ' PCW . . . . . 0.975 H432 ' H39' ' A' ' 418' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 614' ' ' PCW . . . . . 1.135 H283 ' H69' ' B' ' 209' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 615' ' ' PCW . . . . . 0.982 H461 H421 ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 616' ' ' PCW . . . . . 1.087 H262 ' H71' ' C' ' 214' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 617' ' ' PCW . . . . . 1.022 H441 H232 ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 618' ' ' PCW . . . . . 1.124 H431 ' C37' ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 619' ' ' PCW . . . . . 1.111 H381 H161 ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 620' ' ' PCW . . . . . 1.048 H442 H222 ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 621' ' ' PCW . . . . . 1.023 H121 ' H4A' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 622' ' ' PCW . . . . . 1.123 ' C14' ' H6 ' ' A' ' 422' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 623' ' ' PCW . . . . . 1.066 H362 ' C32' ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 624' ' ' PCW . . . . . 1.055 H242 ' C24' ' C' ' 217' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 625' ' ' PCW . . . . . 1.12 H471 H431 ' D' ' 607' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 626' ' ' PCW . . . . . 1.071 H431 H361 ' D' ' 607' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 627' ' ' PCW . . . . . 1.144 ' C20' H352 ' C' ' 217' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 628' ' ' 17F . . . . . 1.023 ' H57' H19A ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 629' ' ' 17F . . . . . 1.033 ' H76' H261 ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 630' ' ' 17F . . . . . 0.767 ' H57' H162 ' A' ' 421' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 631' ' ' 17F . . . . . 0.943 ' O8 ' ' H42' ' D' ' 610' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 632' ' ' 17F . . . . . 1.03 ' H31' H471 ' D' ' 606' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 201' ' ' GSP . . . . . 0.697 H5'2 ' CE1' ' B' ' 32' ' ' TYR . . . . . . . . 0 O4'--C1' 1.438 1.977 2 O4'-C1'-N19 112.927 4.727 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 202' ' ' ' MG' . . . . . 0.594 'MG ' ' O3G' ' B' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 203' ' ' PCW . . . . . 0.946 H281 H471 ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 204' ' ' PCW . . . . . 0.982 H231 H272 ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 205' ' ' PCW . . . . . 1.024 H262 H472 ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 206' ' ' PCW . . . . . 1.141 H411 ' H39' ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 207' ' ' PCW . . . . . 1.055 ' H41' ' H31' ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 208' ' ' PCW . . . . . 1.116 H232 ' H50' ' A' ' 415' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 209' ' ' 17F . . . . . 1.135 ' H69' H283 ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 210' ' ' 17F . . . . . 0.804 ' H40' ' H12' ' B' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 211' ' ' 17F . . . . . 1.093 ' H5 ' ' H82' ' A' ' 405' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 201' ' ' GSP . . . . . 0.766 ' O2A' ' S1G' ' C' ' 201' ' ' GSP . . . . . . . . 0 O4'--C1' 1.437 1.91 2 O4'-C1'-N19 113.098 4.898 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 202' ' ' ' MG' . . . . . 0.616 'MG ' ' O3G' ' C' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 203' ' ' PCW . . . . . 0.996 ' H52' ' O31' ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 204' ' ' PCW . . . . . 1.104 H241 H282 ' C' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 205' ' ' PCW . . . . . 1.036 H171 H252 ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 206' ' ' PCW . . . . . 1.119 H171 H222 ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 207' ' ' PCW . . . . . 1.119 H222 H171 ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 208' ' ' PCW . . . . . 1.043 H262 H432 ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 209' ' ' PCW . . . . . 1.141 ' H39' H411 ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 210' ' ' PCW . . . . . 1.104 H282 H241 ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 211' ' ' PCW . . . . . 1.033 ' H51' ' H12' ' C' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 212' ' ' PCW . . . . . 1.081 H371 H20A ' C' ' 215' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 213' ' ' 17F . . . . . 1.009 ' H33' H441 ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 214' ' ' 17F . . . . . 1.087 ' H71' H262 ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 215' ' ' 17F . . . . . 1.081 H20A H371 ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 216' ' ' PCW . . . . . 1.065 H262 ' H40' ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 217' ' ' PCW . . . . . 1.144 H352 ' C20' ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 218' ' ' 17F . . . . . 1.051 ' H68' ' C11' ' A' ' 422' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 219' ' ' 17F . . . . . 1.054 ' H34' H172 ' C' ' 217' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 44.4 mt . . . . . 0 CA--C 1.521 -0.138 0 CA-C-O 120.946 0.403 . . . . 10.0 110.454 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 5.3 tmtm? -64.15 -44.53 91.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.823 -0.626 . . . . 10.0 111.111 -179.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 43.4 mt -67.64 -36.77 81.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.517 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 33.4 mt -68.51 -44.85 73.75 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.997 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 205' ' ' ASP . . . . . 0.404 ' O ' ' HB3' ' A' ' 208' ' ' ASP . 11.7 t70 -70.69 -44.19 67.47 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.342 -0.39 . . . . 10.0 111.763 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.4 -34.38 76.61 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.761 0.315 . . . . 10.0 110.38 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 67.9 t90 -65.49 -35.61 81.4 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 109.352 -0.61 . . . . 10.0 109.352 178.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 208' ' ' ASP . . . . . 0.404 ' HB3' ' O ' ' A' ' 205' ' ' ASP . 16.9 t70 -61.33 -45.26 95.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.644 -0.707 . . . . 10.0 110.323 179.266 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.56 -45.79 92.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.115 0.484 . . . . 10.0 110.151 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 94.5 t -59.99 -44.5 94.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.546 -0.752 . . . . 10.0 110.283 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 26.2 m -63.1 -39.97 96.26 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.869 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 15.7 m -63.18 -42.0 99.3 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 109.866 -0.42 . . . . 10.0 109.866 178.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 213' ' ' THR . . . . . 0.843 ' HA ' ' HE2' ' D' ' 561' ' ' LYS . 20.9 m -61.49 -51.81 67.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.05 -0.523 . . . . 10.0 109.687 178.621 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 214' ' ' PHE . . . . . 0.521 ' HA ' HD12 ' A' ' 217' ' ' LEU . 6.8 m-85 -56.74 -40.42 75.73 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.085 -0.507 . . . . 10.0 111.427 179.556 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 215' ' ' SER . . . . . 0.491 ' O ' ' HG3' ' A' ' 219' ' ' GLU . 27.6 m -61.83 -50.09 73.66 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.356 -0.384 . . . . 10.0 110.617 179.496 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 19.3 mttt -62.97 -34.91 78.51 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-N 116.422 -0.354 . . . . 10.0 110.217 179.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 217' ' ' LEU . . . . . 0.619 HD11 H251 ' A' ' 405' ' ' PCW . 96.4 mt -64.12 -44.05 93.4 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-N 115.905 -0.588 . . . . 10.0 109.795 178.586 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 218' ' ' ARG . . . . . 0.424 ' HA ' HD12 ' A' ' 221' ' ' LEU . 6.1 mtp85 -64.94 -37.53 87.95 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.4 -0.364 . . . . 10.0 110.931 179.074 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 219' ' ' GLU . . . . . 0.491 ' HG3' ' O ' ' A' ' 215' ' ' SER . 46.1 mt-10 -64.13 -35.78 81.87 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.286 178.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -81.53 -32.68 32.18 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 116.066 -0.515 . . . . 10.0 109.972 178.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 221' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' A' ' 218' ' ' ARG . 18.4 mt -56.23 -33.87 65.79 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.074 -0.512 . . . . 10.0 111.267 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -55.72 -70.2 1.04 Allowed Glycine 0 C--N 1.334 0.42 0 C-N-CA 120.642 -0.79 . . . . 10.0 111.283 178.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -53.06 -39.36 80.03 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.801 2.334 . . . . 10.0 111.347 178.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 31.8 t -58.74 -52.77 56.09 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 O-C-N 123.134 0.272 . . . . 10.0 111.444 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . 0.434 ' O ' ' HB2' ' A' ' 229' ' ' TRP . 7.6 p -64.47 -34.79 79.02 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.826 -0.35 . . . . 10.0 110.79 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -66.31 -43.87 85.02 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.77 -0.456 . . . . 10.0 109.77 178.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -65.83 -45.07 83.62 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.802 -0.635 . . . . 10.0 109.874 178.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -60.85 -46.01 92.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.546 178.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 229' ' ' TRP . . . . . 0.434 ' HB2' ' O ' ' A' ' 225' ' ' THR . 0.2 OUTLIER -64.36 -35.67 81.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.38 179.412 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -63.31 -47.46 82.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.962 -0.563 . . . . 10.0 109.75 179.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -70.84 -40.63 72.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.486 . . . . 10.0 111.253 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 232' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 232' ' ' LEU . 20.6 mt -62.73 -38.5 90.75 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.506 179.447 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 233' ' ' GLU . . . . . 0.559 ' HA ' ' OG1' ' A' ' 236' ' ' THR . 4.0 mm-40 -67.25 -28.86 68.39 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.432 179.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 74.3 mttt -70.37 -36.79 74.35 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.172 -1.047 . . . . 10.0 108.172 177.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.75 -48.18 64.4 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.472 -0.786 . . . . 10.0 109.838 178.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 236' ' ' THR . . . . . 0.559 ' OG1' ' HA ' ' A' ' 233' ' ' GLU . 0.9 OUTLIER -63.4 -35.68 81.2 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.401 -0.592 . . . . 10.0 109.401 178.812 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 237' ' ' GLU . . . . . 0.524 ' HG2' ' NE2' ' A' ' 241' ' ' GLN . 42.8 tt0 -59.24 -47.85 83.81 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 108.771 -0.826 . . . . 10.0 108.771 178.354 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -64.12 -40.48 98.13 Favored Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 110.677 -0.969 . . . . 10.0 110.677 178.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 58.6 mt -63.83 -33.9 76.73 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.604 0.24 . . . . 10.0 110.549 179.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 55.7 mtt180 -69.76 -39.93 76.4 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.797 -0.446 . . . . 10.0 109.797 179.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 241' ' ' GLN . . . . . 0.524 ' NE2' ' HG2' ' A' ' 237' ' ' GLU . 57.5 mt-30 -69.45 -42.26 75.17 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.944 -0.761 . . . . 10.0 108.944 178.382 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -66.49 -22.12 66.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.185 -0.916 . . . . 10.0 110.937 179.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 243' ' ' MET . . . . . 0.819 ' HG3' HD12 ' A' ' 247' ' ' LEU . 46.3 ttm -64.65 -29.48 70.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.38 0.61 . . . . 10.0 109.483 178.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 1.8 m -80.11 7.76 8.56 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.362 -0.836 . . . . 10.0 110.522 179.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 245' ' ' LYS . . . . . 0.434 ' O ' ' HB2' ' A' ' 249' ' ' GLU . 40.3 mttm -127.69 -61.75 1.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.239 -1.023 . . . . 10.0 108.239 178.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 246' ' ' ASP . . . . . 0.654 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 10.5 t70 -54.46 -59.42 4.71 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.914 -1.039 . . . . 10.0 112.003 -179.381 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 247' ' ' LEU . . . . . 0.819 HD12 ' HG3' ' A' ' 243' ' ' MET . 58.9 mt -79.56 -35.93 39.05 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.92 -179.263 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -63.01 -48.24 79.64 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 121.107 -0.237 . . . . 10.0 111.246 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 249' ' ' GLU . . . . . 0.434 ' HB2' ' O ' ' A' ' 245' ' ' LYS . 3.8 mt-10 -69.75 -33.7 72.8 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 111.639 0.237 . . . . 10.0 111.639 179.623 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 250' ' ' VAL . . . . . 0.63 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 0.9 OUTLIER -65.1 -28.12 43.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 C-N-CA 120.684 -0.407 . . . . 10.0 110.101 179.226 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . 0.546 ' O ' HG12 ' A' ' 254' ' ' VAL . 91.9 mttt -82.93 -42.2 17.94 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-O 121.357 0.599 . . . . 10.0 109.871 178.599 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -65.33 -32.18 73.7 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.924 -0.58 . . . . 10.0 109.738 179.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 70.4 mttt -90.24 -19.71 23.84 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.874 -0.603 . . . . 10.0 111.218 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 254' ' ' VAL . . . . . 0.63 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.5 OUTLIER -61.51 -31.08 49.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-O 120.728 0.299 . . . . 10.0 110.627 -179.882 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 255' ' ' GLN . . . . . 0.542 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 37.5 mt-30 -63.97 -62.32 5.43 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.124 179.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 256' ' ' PRO . . . . . 0.542 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 36.6 Cg_endo -67.46 -34.09 27.36 Favored 'Trans proline' 0 C--N 1.356 0.924 0 C-N-CA 121.968 1.779 . . . . 10.0 112.477 178.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 5.4 m-30 -63.25 -53.3 55.09 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.03 0.443 . . . . 10.0 110.522 179.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 258' ' ' LEU . . . . . 0.452 ' O ' ' HB2' ' A' ' 262' ' ' GLN . 31.2 mt -66.82 -39.29 87.65 Favored 'General case' 0 C--O 1.219 -0.532 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.181 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -57.03 -51.74 68.06 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 123.408 0.443 . . . . 10.0 111.756 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -58.74 -48.19 82.05 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.383 -0.372 . . . . 10.0 111.142 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -68.7 -35.53 77.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.916 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 262' ' ' GLN . . . . . 0.452 ' HB2' ' O ' ' A' ' 258' ' ' LEU . 42.6 tt0 -66.71 -41.76 87.44 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.041 -0.726 . . . . 10.0 109.041 179.513 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 263' ' ' LYS . . . . . 0.443 ' O ' ' HG3' ' A' ' 267' ' ' GLU . 4.3 ttmt -61.65 -50.62 71.81 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.265 -0.88 . . . . 10.0 108.847 178.544 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 264' ' ' LYS . . . . . 0.652 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 75.1 mttt -62.69 -39.8 95.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.411 -0.813 . . . . 10.0 110.874 179.277 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -63.31 -42.57 99.03 Favored 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 110.033 -0.358 . . . . 10.0 110.033 178.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -61.51 -45.1 95.63 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 108.818 -0.808 . . . . 10.0 108.818 178.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 267' ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' A' ' 263' ' ' LYS . 43.7 mt-10 -60.59 -43.6 97.2 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.806 -0.634 . . . . 10.0 110.002 178.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 268' ' ' GLU . . . . . 0.492 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 25.1 mt-10 -61.8 -41.59 97.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.824 -0.625 . . . . 10.0 110.539 179.245 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 79.6 mmm -67.5 -42.65 82.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.831 -0.622 . . . . 10.0 109.887 179.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -62.07 -44.66 96.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.997 0.427 . . . . 10.0 109.955 178.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 44.0 mt -63.9 -37.84 88.88 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.741 -0.663 . . . . 10.0 109.981 178.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 272' ' ' TYR . . . . . 0.48 ' HD1' ' HA ' ' A' ' 272' ' ' TYR . 0.4 OUTLIER -67.9 -34.91 77.55 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 115.672 -0.694 . . . . 10.0 109.948 178.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 273' ' ' ARG . . . . . 0.644 ' HA ' HG12 ' A' ' 276' ' ' VAL . 72.2 mtt180 -75.65 -44.0 44.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.656 179.138 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -60.99 -25.75 67.09 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 116.002 -0.545 . . . . 10.0 109.95 179.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 275' ' ' LYS . . . . . 0.754 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 0.2 OUTLIER -91.22 -46.06 8.29 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.427 178.858 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 276' ' ' VAL . . . . . 0.644 HG12 ' HA ' ' A' ' 273' ' ' ARG . 2.4 p -56.02 -32.85 34.46 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.158 0 N-CA-C 113.039 0.755 . . . . 10.0 113.039 -178.313 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -60.82 -62.31 6.23 Favored Pre-proline 0 CA--C 1.538 0.502 0 N-CA-C 112.018 0.377 . . . . 10.0 112.018 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 278' ' ' PRO . . . . . 0.43 ' O ' ' HG3' ' A' ' 282' ' ' GLU . 37.5 Cg_endo -68.15 -35.92 18.25 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 121.705 1.603 . . . . 10.0 111.789 178.289 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 279' ' ' LEU . . . . . 0.955 HD22 ' HE3' ' D' ' 495' ' ' LYS . 8.4 mt -61.16 -43.93 98.12 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 121.017 -0.273 . . . . 10.0 111.148 -179.667 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 280' ' ' ARG . . . . . 0.413 ' O ' ' HB2' ' A' ' 284' ' ' GLN . 42.0 mtt180 -63.08 -33.91 76.46 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 109.851 -0.426 . . . . 10.0 109.851 179.284 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -69.12 -44.49 72.3 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.151 -0.477 . . . . 10.0 109.797 179.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 282' ' ' GLU . . . . . 0.43 ' HG3' ' O ' ' A' ' 278' ' ' PRO . 46.2 mt-10 -64.13 -48.01 77.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.917 -0.583 . . . . 10.0 109.775 178.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 77.8 mt -60.14 -39.37 86.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.757 -0.656 . . . . 10.0 109.855 178.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 284' ' ' GLN . . . . . 0.413 ' HB2' ' O ' ' A' ' 280' ' ' ARG . 38.4 tt0 -64.73 -45.91 84.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.234 179.304 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -62.6 -47.47 83.63 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 109.568 -0.53 . . . . 10.0 109.568 178.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -60.4 -40.57 97.77 Favored Glycine 0 N--CA 1.443 -0.875 0 N-CA-C 111.052 -0.819 . . . . 10.0 111.052 179.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -67.07 -44.33 80.37 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.103 -0.332 . . . . 10.0 110.103 179.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 89.2 mtt180 -54.04 -53.11 57.54 Favored 'General case' 0 C--N 1.331 -0.199 0 O-C-N 123.462 0.476 . . . . 10.0 110.215 179.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 11.0 tm0? -63.06 -47.12 84.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.855 -0.611 . . . . 10.0 111.397 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 47.2 mttp -58.98 -42.99 91.3 Favored 'General case' 0 CA--C 1.522 -0.126 0 CA-C-O 120.884 0.373 . . . . 10.0 110.938 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 90.7 mt -68.08 -39.44 82.92 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.11 -0.496 . . . . 10.0 110.04 178.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 292' ' ' HIS . . . . . 0.507 ' O ' ' HG2' ' A' ' 296' ' ' GLU . 3.5 m170 -61.86 -43.92 97.87 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.026 178.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -60.24 -39.52 87.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.697 -0.683 . . . . 10.0 109.569 178.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 77.2 mt -67.17 -42.29 84.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.885 -0.598 . . . . 10.0 109.515 178.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -61.47 -33.18 73.32 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.057 -0.52 . . . . 10.0 110.449 178.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 296' ' ' GLU . . . . . 0.507 ' HG2' ' O ' ' A' ' 292' ' ' HIS . 18.9 mm-40 -63.46 -18.16 63.47 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 115.96 -0.563 . . . . 10.0 110.417 179.283 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . 0.62 ' HB3' HD12 ' A' ' 301' ' ' LEU . 28.9 mmtp -109.65 -32.7 7.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.37 179.422 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 66.9 mt -61.8 -28.85 69.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 10.0 111.282 179.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 299' ' ' SER . . . . . 0.546 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 7.0 m -79.22 -68.24 0.23 Allowed Pre-proline 0 CA--C 1.538 0.501 0 N-CA-C 112.668 0.618 . . . . 10.0 112.668 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 300' ' ' PRO . . . . . 0.546 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 37.0 Cg_endo -65.53 -52.24 1.12 Allowed 'Trans proline' 0 C--N 1.356 0.928 0 C-N-CA 121.972 1.781 . . . . 10.0 112.778 -179.024 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 301' ' ' LEU . . . . . 0.693 HD13 ' HG2' ' D' ' 473' ' ' LYS . 94.3 mt -66.45 -27.8 68.09 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.839 0.352 . . . . 10.0 110.297 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -67.4 -49.84 48.58 Favored Glycine 0 N--CA 1.445 -0.755 0 N-CA-C 110.226 -1.149 . . . . 10.0 110.226 178.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -64.76 -41.3 96.0 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.858 -0.423 . . . . 10.0 109.858 178.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -61.55 -41.75 97.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.947 -0.57 . . . . 10.0 110.065 179.072 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 305' ' ' MET . . . . . 0.425 ' SD ' HD13 ' D' ' 469' ' ' LEU . 11.2 tpt -63.26 -39.23 94.01 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.479 -0.564 . . . . 10.0 109.479 179.179 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 58.6 mtt180 -68.06 -40.27 82.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.914 -0.584 . . . . 10.0 110.35 179.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 307' ' ' ASP . . . . . 0.519 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 27.0 t70 -68.22 -42.96 79.0 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.208 -0.451 . . . . 10.0 109.863 179.215 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 308' ' ' ARG . . . . . 0.535 ' HG3' HD21 ' D' ' 469' ' ' LEU . 25.6 mmt180 -65.31 -34.93 79.5 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.731 -0.84 . . . . 10.0 108.731 177.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 309' ' ' ALA . . . . . 0.406 ' O ' HG23 ' A' ' 313' ' ' VAL . . . -64.52 -38.45 91.04 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 108.943 -0.762 . . . . 10.0 108.943 178.012 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 310' ' ' ARG . . . . . 0.519 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 88.2 mtt180 -57.95 -48.25 80.52 Favored 'General case' 0 C--O 1.223 -0.302 0 N-CA-C 108.725 -0.843 . . . . 10.0 108.725 177.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -63.6 -39.53 94.62 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.619 -0.719 . . . . 10.0 110.314 179.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -59.22 -51.78 68.52 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 121.127 0.489 . . . . 10.0 109.703 179.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 313' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 309' ' ' ALA . 45.1 t -70.06 -32.86 52.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.505 -0.77 . . . . 10.0 110.775 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -63.77 -48.35 77.3 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.156 0.503 . . . . 10.0 110.014 179.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -61.17 -37.63 83.58 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.529 -0.76 . . . . 10.0 109.299 178.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 75.7 mt -68.36 -43.74 76.76 Favored 'General case' 0 C--O 1.221 -0.402 0 CA-C-N 115.472 -0.786 . . . . 10.0 109.777 178.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 317' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 317' ' ' ARG . 14.9 mtm105 -59.25 -44.01 92.41 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.785 0.326 . . . . 10.0 110.824 179.481 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 3.2 m -66.72 -24.35 66.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.6 -0.727 . . . . 10.0 111.469 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 14.6 m80 -93.2 -46.56 7.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.504 -0.317 . . . . 10.0 111.556 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 96.5 mt -60.71 -31.5 70.79 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.347 0.499 . . . . 10.0 112.347 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 321' ' ' ALA . . . . . 0.408 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -58.2 -63.63 3.73 Favored Pre-proline 0 CA--C 1.536 0.407 0 N-CA-C 111.575 0.213 . . . . 10.0 111.575 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . 0.408 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 38.0 Cg_endo -67.87 -27.66 36.92 Favored 'Trans proline' 0 C--N 1.356 0.942 0 C-N-CA 121.495 1.463 . . . . 10.0 111.311 178.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -62.59 -48.96 77.16 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.284 179.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 324' ' ' SER . . . . . 0.472 ' HA ' ' HB2' ' A' ' 327' ' ' LEU . 10.8 p -69.36 -33.48 73.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.901 0.381 . . . . 10.0 110.005 179.359 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.85 -41.72 98.16 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 108.846 -0.798 . . . . 10.0 108.846 178.703 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -76.13 -33.1 59.42 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.572 -0.74 . . . . 10.0 109.938 178.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . 0.472 ' HB2' ' HA ' ' A' ' 324' ' ' SER . 16.3 mt -61.07 -35.26 76.47 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 108.952 -0.758 . . . . 10.0 108.952 178.252 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 328' ' ' ARG . . . . . 0.419 ' HG3' ' O ' ' A' ' 324' ' ' SER . 84.5 mtt180 -60.57 -44.33 96.31 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.861 -0.792 . . . . 10.0 108.861 177.77 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -64.72 -44.3 90.66 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.809 -0.632 . . . . 10.0 109.624 178.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 330' ' ' ARG . . . . . 0.635 HH21 ' HB3' ' D' ' 447' ' ' GLU . 29.6 mtt-85 -57.97 -54.06 51.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.553 -0.749 . . . . 10.0 110.457 179.408 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 30.8 mt -61.49 -43.47 98.81 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-N 115.99 -0.55 . . . . 10.0 111.173 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -60.49 -43.88 96.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.658 0.266 . . . . 10.0 110.57 179.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -61.52 -45.85 92.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.024 -0.534 . . . . 10.0 109.714 178.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 334' ' ' ARG . . . . . 0.458 ' HD3' ' CD ' ' D' ' 440' ' ' GLU . 30.4 mmt180 -62.8 -42.98 99.94 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.817 -0.628 . . . . 10.0 109.694 178.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 335' ' ' LEU . . . . . 0.591 ' O ' ' HB2' ' A' ' 339' ' ' LYS . 61.5 mt -64.06 -45.9 86.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.727 -0.67 . . . . 10.0 111.437 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -65.88 -41.98 90.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.424 -0.353 . . . . 10.0 111.417 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -65.52 -47.57 75.52 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.152 0.501 . . . . 10.0 109.655 178.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 49.2 mt -69.78 -14.6 62.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.035 -0.529 . . . . 10.0 111.116 178.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 339' ' ' LYS . . . . . 0.591 ' HB2' ' O ' ' A' ' 335' ' ' LEU . 31.7 tttt -82.69 -48.63 10.67 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.34 -0.615 . . . . 10.0 109.34 178.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -67.13 -46.16 74.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.106 0.479 . . . . 10.0 109.86 178.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 341' ' ' ASN . . . . . 0.451 HD21 ' HB3' ' D' ' 432' ' ' LYS . 27.9 t-20 -71.4 -36.46 71.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.995 -0.548 . . . . 10.0 109.851 179.248 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -62.96 -43.76 98.41 Favored Glycine 0 N--CA 1.45 -0.384 0 N-CA-C 111.297 -0.721 . . . . 10.0 111.297 179.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 343' ' ' GLY . . . . . 0.442 ' HA2' HD12 ' A' ' 346' ' ' LEU . . . -61.66 -36.77 93.17 Favored Glycine 0 N--CA 1.452 -0.295 0 N-CA-C 111.18 -0.768 . . . . 10.0 111.18 178.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -67.59 -44.37 78.29 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.454 -0.572 . . . . 10.0 109.454 178.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 65.8 mtm180 -64.6 -37.78 88.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.6 -0.727 . . . . 10.0 110.343 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 346' ' ' LEU . . . . . 0.442 HD12 ' HA2' ' A' ' 343' ' ' GLY . 72.5 mt -59.57 -54.33 47.72 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.469 -0.567 . . . . 10.0 109.469 178.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.77 -42.67 93.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.67 -0.695 . . . . 10.0 110.568 179.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 348' ' ' GLU . . . . . 0.491 ' O ' ' HG3' ' A' ' 352' ' ' LYS . 2.2 mt-10 -63.41 -47.03 83.66 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.112 -0.495 . . . . 10.0 111.027 179.32 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -61.6 -34.27 75.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.551 -0.295 . . . . 10.0 110.264 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 29.6 m-70 -65.67 -42.83 90.87 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.052 -0.721 . . . . 10.0 109.052 177.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -65.0 -41.87 94.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.383 -0.826 . . . . 10.0 109.657 179.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 352' ' ' LYS . . . . . 0.491 ' HG3' ' O ' ' A' ' 348' ' ' GLU . 34.4 mttm -62.84 -43.72 98.05 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.181 -0.674 . . . . 10.0 109.181 178.394 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -61.74 -38.21 87.11 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.709 -0.678 . . . . 10.0 109.394 178.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 29.1 m -61.68 -40.96 96.82 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.513 -0.551 . . . . 10.0 109.513 178.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -67.15 -44.34 80.04 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.132 -0.485 . . . . 10.0 109.876 178.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 27.3 m-70 -62.26 -39.66 93.62 Favored 'General case' 0 C--O 1.226 -0.164 0 CA-C-N 115.687 -0.688 . . . . 10.0 110.949 179.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 83.5 mt -68.8 -38.06 79.7 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.287 -0.415 . . . . 10.0 111.041 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 41.4 m -64.22 -45.67 87.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.432 . . . . 10.0 110.367 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 1.2 p -73.53 -28.9 62.13 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.19 179.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 56.7 tp -63.65 -30.44 71.55 Favored 'General case' 0 CA--C 1.521 -0.158 0 N-CA-C 109.243 -0.651 . . . . 10.0 109.243 178.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 49.0 m -61.99 -32.6 73.08 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.882 -0.599 . . . . 10.0 109.64 178.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -67.87 -26.54 66.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.12 0.486 . . . . 10.0 110.313 178.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 363' ' ' LYS . . . . . 0.708 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 80.0 mttt -90.42 -30.85 17.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.131 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 364' ' ' ALA . . . . . 0.599 ' HA ' HD12 ' A' ' 368' ' ' LEU . . . -83.51 -24.49 31.67 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 113.06 0.763 . . . . 10.0 113.06 -178.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 365' ' ' LYS . . . . . 0.959 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 85.1 mttt -110.98 -75.14 0.02 OUTLIER Pre-proline 0 CA--C 1.533 0.327 0 N-CA-C 112.841 0.682 . . . . 10.0 112.841 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 366' ' ' PRO . . . . . 0.959 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 31.4 Cg_exo -59.54 -55.31 1.84 Allowed 'Trans proline' 0 C--N 1.357 1.016 0 C-N-CA 122.206 1.938 . . . . 10.0 112.919 -179.163 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 367' ' ' ALA . . . . . 0.708 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -62.44 -45.65 92.12 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.764 0.283 . . . . 10.0 111.764 -179.368 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 368' ' ' LEU . . . . . 0.599 HD12 ' HA ' ' A' ' 364' ' ' ALA . 0.9 OUTLIER -62.64 -44.26 96.72 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.592 -0.276 . . . . 10.0 111.306 -179.738 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -63.66 -41.88 98.15 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.817 -0.438 . . . . 10.0 109.817 179.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -61.13 -41.46 96.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.296 -0.865 . . . . 10.0 109.631 179.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 371' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 367' ' ' ALA . 85.4 mt -66.41 -42.21 88.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.611 -0.722 . . . . 10.0 110.275 178.571 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 372' ' ' ARG . . . . . 0.494 ' O ' ' HG ' ' A' ' 376' ' ' LEU . 98.8 mtt180 -62.87 -47.55 82.86 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.143 -0.48 . . . . 10.0 110.688 179.474 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -65.09 -21.63 66.84 Favored 'General case' 0 C--O 1.23 0.065 0 CA-C-N 116.043 -0.526 . . . . 10.0 111.139 179.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -89.46 -35.62 7.87 Favored Glycine 0 N--CA 1.449 -0.489 0 N-CA-C 111.58 -0.608 . . . . 10.0 111.58 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 36.4 mt -73.23 -29.6 62.89 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.605 0.224 . . . . 10.0 111.605 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 376' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 372' ' ' ARG . 54.4 mt -54.68 -59.91 9.26 Favored Pre-proline 0 CA--C 1.536 0.425 0 N-CA-C 112.429 0.529 . . . . 10.0 112.429 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -61.14 -34.48 89.19 Favored 'Trans proline' 0 C--N 1.356 0.922 0 C-N-CA 121.813 1.675 . . . . 10.0 110.94 178.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 54.6 t -63.11 -44.54 99.53 Favored 'Isoleucine or valine' 0 C--O 1.231 0.126 0 N-CA-C 109.554 -0.536 . . . . 10.0 109.554 178.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 379' ' ' LEU . . . . . 0.441 ' O ' ' HG3' ' A' ' 383' ' ' LYS . 66.2 mt -64.37 -39.29 93.59 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.019 178.478 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -61.91 -43.12 99.49 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.899 -0.591 . . . . 10.0 110.461 178.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 2.3 p -70.92 -33.59 70.69 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.96 -0.385 . . . . 10.0 109.96 178.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -65.33 -34.9 79.41 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.027 179.006 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 383' ' ' LYS . . . . . 0.441 ' HG3' ' O ' ' A' ' 379' ' ' LEU . 95.6 mttt -60.27 -39.36 86.53 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 108.938 -0.764 . . . . 10.0 108.938 177.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 72.2 t -63.81 -40.53 89.39 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 N-CA-C 109.04 -0.726 . . . . 10.0 109.04 178.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 1.3 m -64.81 -43.25 93.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.734 -0.667 . . . . 10.0 109.994 179.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -66.67 -47.29 72.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.346 -0.388 . . . . 10.0 111.573 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 387' ' ' LEU . . . . . 0.477 ' O ' ' HG3' ' A' ' 391' ' ' GLU . 27.7 mt -58.34 -46.91 85.34 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.37 -0.377 . . . . 10.0 111.309 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 388' ' ' SER . . . . . 0.4 ' O ' ' HG2' ' A' ' 392' ' ' GLU . 12.4 p -67.24 -44.17 80.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.6 -0.273 . . . . 10.0 110.906 179.651 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -57.6 -47.88 80.94 Favored 'General case' 0 CA--C 1.523 -0.081 0 CA-C-N 116.29 -0.413 . . . . 10.0 110.742 179.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 84.4 mt -56.02 -45.14 79.22 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.05 0.452 . . . . 10.0 110.153 179.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 391' ' ' GLU . . . . . 0.477 ' HG3' ' O ' ' A' ' 387' ' ' LEU . 27.4 mt-10 -63.77 -45.18 90.95 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.414 179.447 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 392' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 388' ' ' SER . 58.2 mm-40 -57.49 -48.19 79.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.922 0.392 . . . . 10.0 110.97 179.507 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -64.49 -39.36 93.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.98 -0.555 . . . . 10.0 111.485 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 11.7 m -70.21 -31.53 69.01 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.85 0.357 . . . . 10.0 111.254 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -77.76 -39.07 45.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.925 0.393 . . . . 10.0 111.956 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 396' ' ' LYS . . . . . 0.746 ' HE2' ' HA ' ' D' ' 587' ' ' ALA . 14.0 mptt -85.09 -33.98 22.31 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 113.459 0.911 . . . . 10.0 113.459 -178.323 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 78.7 mt -94.77 -18.25 21.41 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.413 0.523 . . . . 10.0 112.413 -179.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 46.4 t30 . . . . . 0 C--N 1.328 -0.368 0 CA-C-O 120.616 0.245 . . . . 10.0 111.134 -179.82 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 399' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' D' ' 399' ' ' LEU . 3.2 mm? . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 121.244 0.545 . . . . 10.0 110.464 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 400' ' ' LYS . . . . . 0.456 ' HB2' ' HE2' ' D' ' 400' ' ' LYS . 3.6 mppt? -124.67 24.01 7.89 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.54 -0.755 . . . . 10.0 110.596 179.656 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 41.3 mt -74.59 -38.5 62.6 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.516 -0.766 . . . . 10.0 110.69 -179.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 36.5 mt -63.89 -38.46 91.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.87 -0.605 . . . . 10.0 110.316 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -69.13 -39.21 79.03 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.479 -0.782 . . . . 10.0 110.54 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 404' ' ' ASN . . . . . 0.481 ' O ' HG23 ' D' ' 408' ' ' VAL . 26.4 t-20 -68.33 -45.76 72.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.685 -0.689 . . . . 10.0 110.431 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -61.58 -30.11 70.46 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.767 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -62.07 -48.88 78.22 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.618 -0.512 . . . . 10.0 109.618 178.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 1.2 m -62.53 -37.52 86.39 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.017 178.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 408' ' ' VAL . . . . . 0.481 HG23 ' O ' ' D' ' 404' ' ' ASN . 58.1 t -65.17 -37.42 80.14 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 N-CA-C 109.477 -0.564 . . . . 10.0 109.477 178.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 53.7 m -64.53 -38.5 91.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.957 -0.565 . . . . 10.0 109.752 178.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 5.1 m -62.12 -39.57 92.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.041 -0.527 . . . . 10.0 109.724 178.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 20.6 m -64.86 -42.42 94.89 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.083 -0.508 . . . . 10.0 109.687 178.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 412' ' ' PHE . . . . . 0.495 ' HD1' HD12 ' D' ' 415' ' ' LEU . 12.4 m-85 -64.48 -37.96 89.34 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.547 -0.538 . . . . 10.0 109.547 178.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 413' ' ' SER . . . . . 0.419 ' O ' ' HG3' ' D' ' 417' ' ' GLU . 19.8 m -63.93 -40.25 96.03 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.234 -0.654 . . . . 10.0 109.234 178.49 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 414' ' ' LYS . . . . . 0.524 ' HD3' ' HA ' ' D' ' 414' ' ' LYS . 46.0 mmtt -64.36 -35.98 82.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.998 -0.546 . . . . 10.0 109.945 178.507 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 415' ' ' LEU . . . . . 0.495 HD12 ' HD1' ' D' ' 412' ' ' PHE . 95.6 mt -65.56 -39.27 91.48 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.148 -0.686 . . . . 10.0 109.148 178.622 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 77.2 mtt180 -68.84 -35.47 76.99 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.772 -0.649 . . . . 10.0 110.618 179.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 417' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' D' ' 413' ' ' SER . 42.1 mt-10 -70.75 -20.21 62.65 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 121.256 0.55 . . . . 10.0 110.313 178.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -90.15 -49.51 6.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.573 -0.739 . . . . 10.0 109.69 178.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 59.6 mt -47.8 -47.37 31.02 Favored 'General case' 0 N--CA 1.461 0.11 0 CA-C-N 115.523 -0.762 . . . . 10.0 112.138 -179.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -52.05 -74.7 0.27 Allowed Glycine 0 CA--C 1.52 0.374 0 C-N-CA 121.273 -0.489 . . . . 10.0 112.998 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 421' ' ' PRO . . . . . 0.41 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 50.3 Cg_exo -55.15 -41.7 76.04 Favored 'Trans proline' 0 CA--C 1.531 0.357 0 C-N-CA 122.908 2.405 . . . . 10.0 112.343 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 31.5 t -60.46 -44.19 95.8 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 N-CA-C 112.623 0.601 . . . . 10.0 112.623 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 25.2 p -71.41 -34.46 70.37 Favored 'General case' 0 N--CA 1.462 0.17 0 C-N-CA 120.809 -0.357 . . . . 10.0 111.29 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -59.96 -50.67 72.84 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.67 -0.493 . . . . 10.0 109.67 179.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 425' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 12.6 pt-20 -73.06 -25.99 61.12 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.251 178.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 426' ' ' PHE . . . . . 0.575 ' O ' ' HG ' ' D' ' 430' ' ' LEU . 29.6 t80 -65.93 -41.78 90.93 Favored 'General case' 0 C--O 1.222 -0.368 0 N-CA-C 109.107 -0.701 . . . . 10.0 109.107 178.683 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 26.7 m0 -65.34 -37.74 88.0 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.53 -0.545 . . . . 10.0 109.53 178.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -65.6 -42.04 92.1 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.594 -0.891 . . . . 10.0 108.594 177.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 429' ' ' ASN . . . . . 0.457 ' HA ' ' HD2' ' D' ' 432' ' ' LYS . 8.3 t30 -65.55 -40.56 92.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.654 -0.703 . . . . 10.0 109.738 178.208 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 430' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' D' ' 426' ' ' PHE . 48.4 mt -57.39 -42.92 83.15 Favored 'General case' 0 CA--C 1.517 -0.318 0 N-CA-C 109.378 -0.601 . . . . 10.0 109.378 178.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -65.8 -45.6 81.78 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.983 -0.553 . . . . 10.0 109.807 178.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 432' ' ' LYS . . . . . 0.457 ' HD2' ' HA ' ' D' ' 429' ' ' ASN . 36.7 mttt -54.93 -44.86 74.65 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 109.577 -0.527 . . . . 10.0 109.577 178.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 433' ' ' GLU . . . . . 0.531 ' O ' ' HG ' ' D' ' 437' ' ' LEU . 63.0 mt-10 -67.57 -56.81 7.98 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.647 -0.706 . . . . 10.0 110.913 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 7.5 p -55.39 -53.35 57.3 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.755 0.65 . . . . 10.0 112.755 -178.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 435' ' ' GLU . . . . . 0.615 ' O ' ' HG3' ' D' ' 439' ' ' GLN . 6.1 mm-40 -60.68 -42.6 97.43 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-O 120.386 0.136 . . . . 10.0 110.793 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -62.26 -49.31 75.71 Favored Glycine 0 C--N 1.333 0.382 0 N-CA-C 110.99 -0.844 . . . . 10.0 110.99 179.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 437' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' D' ' 433' ' ' GLU . 84.1 mt -65.03 -32.02 73.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.556 0.217 . . . . 10.0 110.563 179.372 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 438' ' ' ARG . . . . . 0.433 ' HA ' ' HB2' ' D' ' 441' ' ' MET . 69.9 mtt180 -66.86 -32.31 73.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.563 -0.29 . . . . 10.0 110.888 179.451 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 439' ' ' GLN . . . . . 0.615 ' HG3' ' O ' ' D' ' 435' ' ' GLU . 96.2 mt-30 -64.81 -42.36 95.06 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 109.768 -0.456 . . . . 10.0 109.768 179.42 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 440' ' ' GLU . . . . . 0.458 ' CD ' ' HD3' ' A' ' 334' ' ' ARG . 0.9 OUTLIER -80.82 -25.32 37.86 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.451 178.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 441' ' ' MET . . . . . 0.433 ' HB2' ' HA ' ' D' ' 438' ' ' ARG . 47.9 mmm -74.59 -41.03 61.2 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.106 -0.497 . . . . 10.0 112.033 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 1.6 p -62.5 -42.91 99.82 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 108.911 -0.774 . . . . 10.0 108.911 178.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -63.42 -41.91 98.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.227 -0.897 . . . . 10.0 109.244 178.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -62.09 -50.13 73.16 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-N 115.415 -0.811 . . . . 10.0 110.224 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 97.6 mt -62.19 -46.39 89.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.872 -179.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -63.62 -46.84 83.89 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.777 0.322 . . . . 10.0 110.925 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 447' ' ' GLU . . . . . 0.635 ' HB3' HH21 ' A' ' 330' ' ' ARG . 1.1 tt0 -69.46 -25.42 64.07 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 109.813 -0.44 . . . . 10.0 109.813 179.534 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 448' ' ' VAL . . . . . 0.439 HG23 HH22 ' A' ' 330' ' ' ARG . 1.2 t -65.52 -38.07 81.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 109.296 -0.631 . . . . 10.0 109.296 178.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 84.3 mttt -65.24 -33.5 76.14 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.905 -0.776 . . . . 10.0 108.905 178.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -84.95 1.5 47.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.925 -1.034 . . . . 10.0 110.649 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 451' ' ' LYS . . . . . 0.589 ' O ' ' HB2' ' D' ' 455' ' ' TYR . 35.4 mmtm -111.13 -47.67 3.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.147 179.478 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 72.3 t -57.47 -45.15 85.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.046 -0.525 . . . . 10.0 111.793 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -57.72 -61.23 7.71 Favored Pre-proline 0 CA--C 1.536 0.412 0 N-CA-C 112.973 0.731 . . . . 10.0 112.973 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_endo -63.37 -29.63 72.34 Favored 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 121.56 1.506 . . . . 10.0 111.579 178.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 455' ' ' TYR . . . . . 0.589 ' HB2' ' O ' ' D' ' 451' ' ' LYS . 1.8 t80 -67.91 -43.75 78.51 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.097 -0.705 . . . . 10.0 109.097 178.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 17.8 mt -68.74 -40.71 79.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.554 -0.748 . . . . 10.0 109.949 178.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -59.68 -51.43 69.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.471 179.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 458' ' ' ASP . . . . . 0.447 ' HA ' ' HD2' ' D' ' 461' ' ' LYS . 34.8 t70 -64.9 -38.64 91.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.965 -0.562 . . . . 10.0 110.828 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 2.2 m-30 -66.72 -45.2 79.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.035 -0.529 . . . . 10.0 110.432 179.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -61.91 -35.0 77.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.382 -0.372 . . . . 10.0 110.508 179.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 461' ' ' LYS . . . . . 0.447 ' HD2' ' HA ' ' D' ' 458' ' ' ASP . 58.8 mttt -61.94 -49.25 76.88 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 108.827 -0.805 . . . . 10.0 108.827 178.173 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 462' ' ' LYS . . . . . 0.645 ' HB3' ' C28' ' D' ' 602' ' ' PCW . 6.9 mtmm -65.38 -37.2 86.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.483 -0.781 . . . . 10.0 110.64 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 28.4 m0 -64.4 -40.75 96.41 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.362 -0.607 . . . . 10.0 109.362 178.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -64.62 -46.42 82.67 Favored 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 109.355 -0.609 . . . . 10.0 109.355 178.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 465' ' ' GLU . . . . . 0.529 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 39.2 mt-10 -57.21 -51.86 67.65 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.171 178.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 466' ' ' GLU . . . . . 0.616 ' OE2' H262 ' D' ' 602' ' ' PCW . 0.4 OUTLIER -60.75 -42.88 98.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.574 179.787 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 42.0 ttm -62.65 -41.95 99.34 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.957 0.408 . . . . 10.0 110.384 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -70.11 -32.13 70.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.065 0.46 . . . . 10.0 109.785 178.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 469' ' ' LEU . . . . . 0.535 HD21 ' HG3' ' A' ' 308' ' ' ARG . 47.6 mt -66.87 -36.28 81.95 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.143 -0.688 . . . . 10.0 109.143 178.186 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 19.4 m-30 -65.58 -32.24 73.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.312 0.577 . . . . 10.0 109.785 178.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 471' ' ' ARG . . . . . 0.798 ' HA ' ' HG3' ' D' ' 475' ' ' GLU . 65.0 mtt180 -74.4 -23.51 58.97 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.586 -0.733 . . . . 10.0 110.707 179.086 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -101.04 -5.84 25.23 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.123 -0.489 . . . . 10.0 111.15 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 473' ' ' LYS . . . . . 0.693 ' HG2' HD13 ' A' ' 301' ' ' LEU . 58.2 mttp -125.92 -74.9 0.59 Allowed 'General case' 0 C--O 1.221 -0.414 0 CA-C-N 116.446 -0.343 . . . . 10.0 111.272 -179.656 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 44.4 t -52.24 -45.14 43.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 112.603 0.594 . . . . 10.0 112.603 -179.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 475' ' ' GLU . . . . . 0.798 ' HG3' ' HA ' ' D' ' 471' ' ' ARG . 9.6 mt-10 -59.43 -60.94 8.95 Favored Pre-proline 0 C--N 1.328 -0.365 0 N-CA-C 112.917 0.71 . . . . 10.0 112.917 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -63.5 -34.28 65.39 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 121.832 1.688 . . . . 10.0 111.67 178.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 477' ' ' LEU . . . . . 0.565 ' HA ' ' HB2' ' D' ' 480' ' ' GLU . 29.1 mt -67.84 -25.69 65.67 Favored 'General case' 0 CA--C 1.52 -0.21 0 N-CA-C 109.98 -0.378 . . . . 10.0 109.98 178.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 478' ' ' ARG . . . . . 0.418 ' O ' ' HB2' ' D' ' 482' ' ' GLN . 12.8 mtt-85 -66.14 -30.16 70.59 Favored 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 108.336 -0.986 . . . . 10.0 108.336 178.076 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 479' ' ' ALA . . . . . 0.4 ' O ' ' HB3' ' D' ' 482' ' ' GLN . . . -81.81 -36.28 28.55 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.458 -0.792 . . . . 10.0 108.866 178.136 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 480' ' ' GLU . . . . . 0.565 ' HB2' ' HA ' ' D' ' 477' ' ' LEU . 0.6 OUTLIER -60.34 -48.57 81.19 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 108.316 -0.994 . . . . 10.0 108.316 177.832 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 94.3 mt -73.26 -22.64 60.34 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.207 -0.906 . . . . 10.0 110.008 178.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 482' ' ' GLN . . . . . 0.418 ' HB2' ' O ' ' D' ' 478' ' ' ARG . 4.6 tp60 -67.27 -56.1 11.21 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 108.828 -0.804 . . . . 10.0 108.828 178.457 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.84 -31.06 71.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.791 -0.641 . . . . 10.0 109.595 178.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -67.14 -48.52 58.98 Favored Glycine 0 N--CA 1.449 -0.498 0 N-CA-C 110.363 -1.095 . . . . 10.0 110.363 178.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -65.57 -39.05 91.21 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 110.137 -0.319 . . . . 10.0 110.137 178.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -59.46 -47.32 85.93 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 109.525 -0.546 . . . . 10.0 109.525 178.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 487' ' ' GLN . . . . . 0.515 ' O ' ' HG3' ' D' ' 491' ' ' GLU . 11.0 mm100 -65.36 -43.46 90.76 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-N 115.829 -0.623 . . . . 10.0 109.67 178.499 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -59.34 -46.16 89.37 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 123.347 0.405 . . . . 10.0 110.146 179.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 69.2 mt -64.6 -37.55 87.94 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.224 178.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -64.21 -46.85 82.06 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.384 -0.969 . . . . 10.0 108.384 178.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 491' ' ' GLU . . . . . 0.515 ' HG3' ' O ' ' D' ' 487' ' ' GLN . 43.5 mt-10 -57.55 -44.19 85.03 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 108.497 -0.927 . . . . 10.0 108.497 178.145 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 492' ' ' LEU . . . . . 0.541 ' O ' ' HG ' ' D' ' 496' ' ' LEU . 64.3 mt -63.0 -57.28 11.23 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 115.356 -0.838 . . . . 10.0 111.024 179.565 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -54.36 -40.55 68.22 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.856 0.36 . . . . 10.0 111.778 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -62.91 -17.18 61.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.677 -0.692 . . . . 10.0 111.463 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 495' ' ' LYS . . . . . 0.955 ' HE3' HD22 ' A' ' 279' ' ' LEU . 15.2 mttp -110.59 -30.73 7.5 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.266 -0.424 . . . . 10.0 110.541 179.013 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 496' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' D' ' 492' ' ' LEU . 98.6 mt -63.84 -33.15 75.04 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.199 -0.455 . . . . 10.0 111.421 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 497' ' ' SER . . . . . 0.412 ' HB2' ' CD ' ' D' ' 498' ' ' PRO . 11.8 m -69.77 -61.75 2.84 Favored Pre-proline 0 C--N 1.324 -0.507 0 C-N-CA 120.869 -0.332 . . . . 10.0 111.37 178.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 498' ' ' PRO . . . . . 0.412 ' CD ' ' HB2' ' D' ' 497' ' ' SER . 27.9 Cg_endo -62.16 -46.46 12.7 Favored 'Trans proline' 0 C--N 1.356 0.926 0 C-N-CA 121.845 1.696 . . . . 10.0 111.921 179.36 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 499' ' ' LEU . . . . . 0.512 ' HB2' ' O ' ' D' ' 495' ' ' LYS . 29.8 mt -68.24 -32.05 71.97 Favored 'General case' 0 CA--C 1.517 -0.314 0 C-N-CA 121.016 -0.274 . . . . 10.0 111.073 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -66.33 -46.94 74.73 Favored Glycine 0 N--CA 1.451 -0.351 0 N-CA-C 110.153 -1.179 . . . . 10.0 110.153 178.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -62.42 -39.55 93.66 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.206 -0.665 . . . . 10.0 109.206 178.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 502' ' ' GLU . . . . . 0.567 ' HG2' ' HE ' ' D' ' 506' ' ' ARG . 32.5 tt0 -67.21 -47.03 72.09 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.285 -0.87 . . . . 10.0 110.342 179.54 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 503' ' ' MET . . . . . 0.629 ' HA ' ' HD2' ' D' ' 506' ' ' ARG . 77.2 mmm -59.69 -40.0 86.42 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.781 179.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 504' ' ' ARG . . . . . . . . . . . . . 61.8 mtt180 -68.94 -37.65 79.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.061 178.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 505' ' ' ASP . . . . . 0.407 ' HA ' ' HD2' ' D' ' 508' ' ' ARG . 0.5 OUTLIER -68.39 -37.14 80.1 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 109.343 -0.614 . . . . 10.0 109.343 178.583 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 506' ' ' ARG . . . . . 0.629 ' HD2' ' HA ' ' D' ' 503' ' ' MET . 45.2 mtt180 -63.47 -45.54 90.31 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 107.425 -1.324 . . . . 10.0 107.425 177.322 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -60.38 -41.11 93.09 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 115.486 -0.779 . . . . 10.0 109.652 179.175 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 508' ' ' ARG . . . . . 0.407 ' HD2' ' HA ' ' D' ' 505' ' ' ASP . 77.8 mtt180 -59.86 -44.98 93.85 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.197 -0.668 . . . . 10.0 109.197 178.466 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 509' ' ' ALA . . . . . 0.652 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -63.85 -35.08 79.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.634 -0.712 . . . . 10.0 110.832 179.451 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 510' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -74.67 -50.82 16.24 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.046 -0.524 . . . . 10.0 110.202 179.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 511' ' ' VAL . . . . . 0.474 ' O ' ' HG3' ' D' ' 515' ' ' ARG . 77.9 t -61.51 -44.42 98.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.403 -0.362 . . . . 10.0 110.723 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 512' ' ' ASP . . . . . 0.689 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 29.2 t70 -63.75 -34.31 77.59 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 121.115 0.483 . . . . 10.0 110.224 179.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -68.65 -49.66 57.32 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.55 -0.907 . . . . 10.0 108.55 177.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 514' ' ' LEU . . . . . 0.604 ' HA ' ' HB2' ' D' ' 517' ' ' HIS . 91.7 mt -58.29 -25.62 62.04 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.77 -0.65 . . . . 10.0 111.212 179.419 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 515' ' ' ARG . . . . . 0.689 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 90.4 mtt180 -62.73 -38.54 90.92 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-O 121.187 0.517 . . . . 10.0 110.034 178.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -100.3 -5.14 27.89 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.978 -0.555 . . . . 10.0 110.953 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 517' ' ' HIS . . . . . 0.604 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 20.7 m170 -98.93 -44.81 6.2 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.114 -0.494 . . . . 10.0 112.096 -179.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 84.0 mt -95.3 -47.72 6.2 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 113.235 0.828 . . . . 10.0 113.235 -177.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 519' ' ' ALA . . . . . 0.621 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -54.26 -59.02 11.18 Favored Pre-proline 0 CA--C 1.535 0.399 0 N-CA-C 113.676 0.991 . . . . 10.0 113.676 -178.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 520' ' ' PRO . . . . . 0.621 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 31.1 Cg_exo -62.32 -36.09 69.61 Favored 'Trans proline' 0 C--N 1.354 0.846 0 C-N-CA 121.772 1.648 . . . . 10.0 111.029 179.31 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 521' ' ' TYR . . . . . 0.467 ' HA ' ' OE1' ' D' ' 524' ' ' GLU . 24.2 t80 -66.8 -32.99 74.63 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.583 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 522' ' ' SER . . . . . 0.521 ' O ' ' HG3' ' D' ' 526' ' ' ARG . 67.1 m -65.84 -36.96 84.91 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.504 -0.554 . . . . 10.0 109.504 178.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 523' ' ' ASP . . . . . 0.436 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 10.1 t70 -70.44 -34.97 73.06 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.214 -0.661 . . . . 10.0 109.214 178.664 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 524' ' ' GLU . . . . . 0.467 ' OE1' ' HA ' ' D' ' 521' ' ' TYR . 74.8 mt-10 -68.84 -36.52 78.28 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 107.957 -1.127 . . . . 10.0 107.957 177.403 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 29.9 mt -65.85 -36.77 84.37 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.311 -0.859 . . . . 10.0 108.996 177.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 526' ' ' ARG . . . . . 0.521 ' HG3' ' O ' ' D' ' 522' ' ' SER . 77.9 mtt180 -58.93 -41.78 88.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.069 179.041 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -61.46 -45.17 95.37 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.189 0.519 . . . . 10.0 109.627 178.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 528' ' ' ARG . . . . . 0.654 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 89.5 mtt180 -66.55 -42.47 87.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.65 -0.705 . . . . 10.0 109.819 179.24 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 77.2 mt -64.75 -34.79 79.18 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.36 -0.382 . . . . 10.0 110.132 179.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 530' ' ' ALA . . . . . 0.488 ' O ' ' HB2' ' D' ' 534' ' ' GLU . . . -64.65 -42.65 95.27 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.587 -0.524 . . . . 10.0 109.587 178.735 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -72.08 -34.28 68.57 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-O 121.194 0.521 . . . . 10.0 109.981 178.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 16.5 ttm180 -67.53 -48.41 67.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.912 -0.586 . . . . 10.0 109.733 178.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 533' ' ' LEU . . . . . 0.663 HD23 HD12 ' D' ' 536' ' ' LEU . 83.8 mt -68.81 -24.93 64.45 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.893 -0.594 . . . . 10.0 109.42 178.686 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 534' ' ' GLU . . . . . 0.488 ' HB2' ' O ' ' D' ' 530' ' ' ALA . 12.9 tt0 -64.1 -46.05 85.92 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 108.244 -1.021 . . . . 10.0 108.244 178.471 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -64.3 -39.58 94.2 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.015 -0.735 . . . . 10.0 109.015 178.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 536' ' ' LEU . . . . . 0.663 HD12 HD23 ' D' ' 533' ' ' LEU . 91.7 mt -66.19 -28.11 68.5 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.577 -0.738 . . . . 10.0 110.736 179.501 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 43.5 mtmt -81.94 -44.87 16.17 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.818 -0.438 . . . . 10.0 109.818 178.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -62.17 -56.05 22.6 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.861 -0.609 . . . . 10.0 109.863 179.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -70.05 -27.91 65.03 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.856 -0.611 . . . . 10.0 109.664 179.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -64.76 -44.58 94.6 Favored Glycine 0 N--CA 1.446 -0.655 0 N-CA-C 110.329 -1.108 . . . . 10.0 110.329 178.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -63.63 -37.44 94.74 Favored Glycine 0 N--CA 1.45 -0.384 0 N-CA-C 110.392 -1.083 . . . . 10.0 110.392 178.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -67.2 -42.72 83.69 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.351 -0.611 . . . . 10.0 109.351 178.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 543' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' D' ' 543' ' ' ARG . 49.6 mtt85 -60.11 -40.06 88.38 Favored 'General case' 0 C--O 1.222 -0.381 0 CA-C-N 115.418 -0.81 . . . . 10.0 109.978 178.446 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 87.8 mt -63.1 -43.87 97.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.802 0.334 . . . . 10.0 110.304 179.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -62.48 -45.58 92.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.981 -0.554 . . . . 10.0 109.565 178.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 546' ' ' GLU . . . . . 0.591 ' O ' ' HD2' ' D' ' 550' ' ' LYS . 28.2 mt-10 -63.87 -46.31 85.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.542 -0.754 . . . . 10.0 110.246 178.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -55.59 -44.84 77.3 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.317 -0.401 . . . . 10.0 110.271 179.44 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -66.03 -42.4 89.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.272 -0.422 . . . . 10.0 110.722 179.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -64.28 -45.49 87.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.805 -0.634 . . . . 10.0 110.211 179.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 550' ' ' LYS . . . . . 0.591 ' HD2' ' O ' ' D' ' 546' ' ' GLU . 0.0 OUTLIER -68.62 -34.74 76.28 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.211 -0.449 . . . . 10.0 110.363 179.655 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -62.93 -44.67 95.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.186 179.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -67.06 -43.84 81.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.07 -0.513 . . . . 10.0 110.368 179.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -60.74 -48.59 81.12 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 109.584 -0.524 . . . . 10.0 109.584 178.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -59.05 -51.82 68.42 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.533 -0.758 . . . . 10.0 109.783 179.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 46.8 tp -57.81 -39.99 78.91 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.45 -0.341 . . . . 10.0 110.977 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 50.7 m -61.73 -46.63 88.79 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 109.781 -0.452 . . . . 10.0 109.781 179.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 557' ' ' THR . . . . . 0.457 ' HA ' ' HB3' ' D' ' 560' ' ' GLU . 41.0 p -73.89 -19.84 60.59 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 120.943 0.402 . . . . 10.0 111.294 179.392 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 36.9 mt -74.77 -53.71 8.68 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.161 -0.681 . . . . 10.0 109.161 178.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 5.5 m -65.16 -29.34 70.16 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.547 -0.538 . . . . 10.0 109.547 178.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 560' ' ' GLU . . . . . 0.457 ' HB3' ' HA ' ' D' ' 557' ' ' THR . 3.1 tt0 -58.46 -33.58 69.9 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.209 -0.905 . . . . 10.0 110.247 178.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 561' ' ' LYS . . . . . 0.843 ' HE2' ' HA ' ' A' ' 213' ' ' THR . 49.4 mttp -99.46 -33.12 10.8 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 116.009 -0.542 . . . . 10.0 110.806 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -52.57 -44.92 66.21 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.281 -0.418 . . . . 10.0 111.931 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -64.68 -62.34 5.09 Favored Pre-proline 0 CA--C 1.537 0.444 0 N-CA-C 112.891 0.7 . . . . 10.0 112.891 -179.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -60.15 -36.34 89.02 Favored 'Trans proline' 0 C--N 1.355 0.883 0 C-N-CA 121.955 1.77 . . . . 10.0 112.317 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 565' ' ' ALA . . . . . 0.525 ' O ' ' HG ' ' D' ' 569' ' ' LEU . . . -66.08 -47.74 73.27 Favored 'General case' 0 C--O 1.224 -0.252 0 N-CA-C 110.025 -0.361 . . . . 10.0 110.025 179.169 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 566' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' D' ' 566' ' ' LEU . 16.7 mt -62.05 -40.11 94.67 Favored 'General case' 0 CA--C 1.52 -0.197 0 N-CA-C 110.012 -0.366 . . . . 10.0 110.012 179.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -62.44 -48.09 81.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.309 -0.405 . . . . 10.0 110.126 179.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.31 -39.58 94.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.173 179.548 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 569' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' D' ' 565' ' ' ALA . 67.8 mt -63.23 -49.44 74.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.019 178.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 570' ' ' ARG . . . . . 0.668 ' O ' ' HG ' ' D' ' 574' ' ' LEU . 87.5 mtt180 -61.46 -53.51 55.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.87 0.367 . . . . 10.0 110.39 179.472 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -62.76 -19.5 64.04 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.755 -0.657 . . . . 10.0 111.632 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -90.06 -34.19 8.38 Favored Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 111.069 -0.812 . . . . 10.0 111.069 178.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 573' ' ' LEU . . . . . 0.728 ' HA ' HG12 ' D' ' 576' ' ' VAL . 67.5 mt -72.39 -34.14 67.7 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 122.207 0.203 . . . . 10.0 110.825 179.431 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 574' ' ' LEU . . . . . 0.668 ' HG ' ' O ' ' D' ' 570' ' ' ARG . 73.5 mt -49.49 -59.55 6.46 Favored Pre-proline 0 CA--C 1.536 0.436 0 N-CA-C 112.714 0.635 . . . . 10.0 112.714 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 575' ' ' PRO . . . . . 0.596 ' HD3' ' HB2' ' D' ' 574' ' ' LEU . 72.0 Cg_endo -77.09 -35.56 1.72 Allowed 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 121.846 1.697 . . . . 10.0 112.274 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 576' ' ' VAL . . . . . 0.728 HG12 ' HA ' ' D' ' 573' ' ' LEU . 0.4 OUTLIER -63.42 -36.93 78.11 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.078 0 C-N-CA 120.951 -0.3 . . . . 10.0 111.642 -179.277 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 30.1 mt -66.06 -38.2 87.72 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 109.766 -0.457 . . . . 10.0 109.766 179.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 578' ' ' GLU . . . . . 0.411 ' O ' HG23 ' D' ' 582' ' ' VAL . 52.3 mm-40 -64.41 -47.5 78.92 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.972 -0.558 . . . . 10.0 109.517 179.117 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 16.2 m -60.51 -38.86 85.75 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.044 -0.525 . . . . 10.0 110.125 178.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 5.0 m-30 -67.28 -39.56 86.05 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.282 178.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 83.2 mttt -62.69 -45.43 92.83 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 109.835 -0.431 . . . . 10.0 109.835 178.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 582' ' ' VAL . . . . . 0.411 HG23 ' O ' ' D' ' 578' ' ' GLU . 84.1 t -58.71 -47.17 89.77 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 CA-C-N 115.73 -0.668 . . . . 10.0 110.44 179.055 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 1.3 p -66.16 -35.64 81.01 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.659 -0.246 . . . . 10.0 111.172 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -67.3 -44.29 79.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.025 0.44 . . . . 10.0 110.28 178.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 63.7 mt -62.14 -46.99 86.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.812 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 2.6 p -64.83 -31.96 73.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.036 0.446 . . . . 10.0 110.535 179.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 587' ' ' ALA . . . . . 0.746 ' HA ' ' HE2' ' A' ' 396' ' ' LYS . . . -71.05 -52.15 21.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.523 179.215 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 96.3 mt -58.52 -42.38 87.58 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.0 -0.546 . . . . 10.0 111.451 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -61.94 -54.21 44.98 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.371 -0.377 . . . . 10.0 111.081 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -63.76 -36.2 83.1 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.43 -0.35 . . . . 10.0 111.5 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 3.0 m-30 -62.11 -45.15 94.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.933 0.397 . . . . 10.0 110.407 178.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 22.8 m -68.87 -28.15 66.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 10.0 111.254 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -73.38 -40.49 64.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.98 0.419 . . . . 10.0 110.612 179.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 594' ' ' LYS . . . . . . . . . . . . . 9.8 mptt -77.47 -52.39 9.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.291 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 64.9 mt -87.76 65.27 8.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.183 0.516 . . . . 10.0 110.397 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 . . . . . 0 C--N 1.326 -0.431 0 CA-C-N 115.796 -0.638 . . . . 10.0 110.724 -179.728 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 8.2 m . . . . . 0 N--CA 1.455 -0.193 0 CA-C-O 120.681 0.277 . . . . 10.0 110.579 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 1.4 m -77.84 120.89 23.37 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.935 0.398 . . . . 10.0 110.384 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.426 ' HA ' ' HB3' ' B' ' 52' ' ' LEU . 22.0 tt0 -79.65 141.8 36.15 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.048 -0.524 . . . . 10.0 110.375 -179.553 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -137.86 107.75 6.31 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.665 0.269 . . . . 10.0 110.285 179.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.552 ' HA ' ' HB3' ' B' ' 54' ' ' ASP . 44.9 mttm -78.49 112.91 16.03 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.994 -0.548 . . . . 10.0 111.037 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.827 HD12 HG12 ' B' ' 55' ' ' ILE . 6.0 mt -111.28 122.51 48.04 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.899 -0.592 . . . . 10.0 110.622 -179.143 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 42.2 t -111.34 117.73 55.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 109.801 -0.444 . . . . 10.0 109.801 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 11.4 t -84.84 122.49 38.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 109.438 -0.579 . . . . 10.0 109.438 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 17.4 m -117.82 166.68 11.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 120.778 0.323 . . . . 10.0 111.457 -179.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 138.95 -176.32 20.99 Favored Glycine 0 N--CA 1.444 -0.796 0 N-CA-C 111.045 -0.822 . . . . 10.0 111.045 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -88.37 -171.17 3.25 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.704 0.288 . . . . 10.0 110.405 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.67 156.6 18.92 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.099 0.476 . . . . 10.0 111.116 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 79.83 -15.43 15.11 Favored Glycine 0 N--CA 1.446 -0.677 0 CA-C-N 115.903 -0.589 . . . . 10.0 114.442 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.559 HG23 ' HG3' ' B' ' 16' ' ' LYS . 32.6 m -65.88 -25.74 36.93 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 CA-C-N 117.695 0.747 . . . . 10.0 112.523 -178.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 97.6 31.63 6.65 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.695 -0.764 . . . . 10.0 113.15 179.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.559 ' HG3' HG23 ' B' ' 14' ' ' VAL . 50.9 mtpt -55.28 -57.87 10.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.923 0.392 . . . . 10.0 110.538 179.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.81 -36.51 82.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.579 -0.737 . . . . 10.0 111.535 -179.164 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.96 -39.48 78.21 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 120.757 0.313 . . . . 10.0 110.436 179.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 64.7 mt -65.18 -42.44 93.63 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.76 178.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.12 -44.81 78.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 10.0 110.625 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 79.8 mt -59.09 -37.35 67.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.862 -0.608 . . . . 10.0 111.207 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . 0.627 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 7.1 mm-40 -68.84 -17.9 64.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.368 -0.378 . . . . 10.0 111.943 179.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 3.3 tp -99.89 -28.45 13.11 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.051 0.453 . . . . 10.0 110.754 179.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 49.1 mm -84.68 -54.72 8.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.02 -0.536 . . . . 10.0 111.5 -179.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . 0.423 ' HB2' ' HD2' ' B' ' 27' ' ' HIS . 83.7 mt-30 -99.39 -11.48 21.12 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.251 -0.432 . . . . 10.0 111.256 -179.105 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . 0.627 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 0.5 OUTLIER 63.3 42.78 6.65 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.021 -0.536 . . . . 10.0 112.211 179.071 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . 0.423 ' HD2' ' HB2' ' B' ' 25' ' ' GLN . 2.1 p80 -151.05 159.74 44.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.356 -0.384 . . . . 10.0 110.888 179.359 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' PHE . . . . . 0.447 ' HB2' ' NE2' ' B' ' 22' ' ' GLN . 53.7 t80 -97.83 139.5 33.59 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.984 0.421 . . . . 10.0 111.269 -179.272 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 3.4 m -100.96 116.48 44.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.339 179.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -80.67 -25.92 37.92 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.938 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -85.71 130.45 34.56 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.105 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . 0.738 ' CE1' H5'2 ' B' ' 201' ' ' GSP . 1.1 t80 -82.34 114.18 20.63 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 109.904 -0.406 . . . . 10.0 109.904 179.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . 0.452 ' HA ' ' HD3' ' B' ' 34' ' ' PRO . 4.5 t70 -111.36 123.0 36.07 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.966 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' B' ' 33' ' ' ASP . 16.0 Cg_exo -69.7 80.83 0.84 Allowed 'Trans proline' 0 N--CA 1.46 -0.475 0 C-N-CA 122.547 2.165 . . . . 10.0 110.837 179.191 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.44 102.18 3.13 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.477 179.662 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.638 ' HA ' ' HB2' ' B' ' 59' ' ' ALA . 46.5 mm -80.81 -49.7 18.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 123.411 0.445 . . . . 10.0 110.688 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -153.1 101.89 2.6 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.911 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -142.51 146.18 34.44 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.314 -0.624 . . . . 10.0 109.314 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . 0.552 ' HB3' HD12 ' B' ' 56' ' ' LEU . 1.9 p -134.27 153.53 51.81 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 111.996 0.369 . . . . 10.0 111.996 -179.034 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -138.99 137.43 36.35 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.002 -0.545 . . . . 10.0 110.094 -179.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.522 ' HA ' ' O ' ' B' ' 53' ' ' LEU . 1.0 OUTLIER -111.15 121.22 44.75 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.649 0.261 . . . . 10.0 110.61 -179.913 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 55.3 tttp -129.46 121.99 28.4 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.783 0.325 . . . . 10.0 111.065 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -93.87 120.26 33.89 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.156 -0.683 . . . . 10.0 109.156 179.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 2.8 m -138.71 165.74 23.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.397 -0.365 . . . . 10.0 111.414 -178.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 44.9 t -100.49 107.91 22.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.374 -0.602 . . . . 10.0 109.374 179.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 12.0 mt -124.82 130.28 73.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.372 -0.377 . . . . 10.0 110.519 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 60.41 24.02 13.57 Favored 'General case' 0 N--CA 1.464 0.27 0 O-C-N 123.654 0.596 . . . . 10.0 112.168 179.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 86.32 9.83 75.39 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.998 -0.62 . . . . 10.0 113.004 179.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -123.72 142.62 50.9 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.787 0.327 . . . . 10.0 111.239 -179.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 3.9 m -83.61 105.76 14.79 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 107.657 -1.238 . . . . 10.0 107.657 178.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 5.5 m -102.37 142.54 33.42 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 112.409 0.522 . . . . 10.0 112.409 -177.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.426 ' HB3' ' HA ' ' B' ' 3' ' ' GLU . 67.9 tp -105.11 99.21 8.83 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.078 -1.082 . . . . 10.0 108.078 178.099 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . 0.622 HD22 HD11 ' B' ' 6' ' ' LEU . 42.1 mt -75.59 116.74 16.62 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 112.824 0.676 . . . . 10.0 112.824 -178.189 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . 0.552 ' HB3' ' HA ' ' B' ' 5' ' ' LYS . 39.4 t0 -105.27 79.79 1.52 Allowed 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 107.419 -1.326 . . . . 10.0 107.419 178.119 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' ILE . . . . . 0.827 HG12 HD12 ' B' ' 6' ' ' LEU . 0.8 OUTLIER -91.17 141.89 13.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.718 -0.674 . . . . 10.0 112.299 -176.941 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.552 HD12 ' HB3' ' B' ' 39' ' ' SER . 3.3 tt -141.33 131.49 24.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.75 -0.659 . . . . 10.0 110.44 179.588 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . 0.415 ' OD1' ' HE2' ' B' ' 16' ' ' LYS . 18.0 t0 -97.37 132.52 43.01 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 109.862 -0.421 . . . . 10.0 109.862 178.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 22.0 p -100.69 163.81 12.16 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.01 -0.541 . . . . 10.0 111.19 -178.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' ALA . . . . . 0.638 ' HB2' ' HA ' ' B' ' 36' ' ' ILE . . . -80.45 115.7 20.12 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.775 0.321 . . . . 10.0 110.514 179.54 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -86.62 39.32 3.08 Favored Glycine 0 CA--C 1.52 0.378 0 C-N-CA 120.747 -0.739 . . . . 10.0 112.707 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -111.8 13.11 21.01 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.489 0.185 . . . . 10.0 111.366 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.471 ' HB3' ' H ' ' B' ' 63' ' ' GLU . 39.7 mm-40 59.99 -161.09 0.28 Allowed 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.269 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.471 ' H ' ' HB3' ' B' ' 62' ' ' GLU . 3.7 mm-40 71.78 -39.14 0.44 Allowed 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 113.469 0.914 . . . . 10.0 113.469 179.077 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -77.11 44.45 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 111.984 0.365 . . . . 10.0 111.984 -179.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.33 -37.46 87.36 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.486 -0.325 . . . . 10.0 110.533 179.635 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.79 -39.24 90.75 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.648 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 90.4 mtp -77.53 -23.32 50.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.613 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . 0.716 ' HB3' HE22 ' B' ' 99' ' ' GLN . 5.5 ttp180 -61.34 -43.56 98.67 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.58 -0.736 . . . . 10.0 111.974 -179.342 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -65.09 -26.36 68.19 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.688 0.28 . . . . 10.0 111.092 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -65.51 -63.86 1.0 Allowed 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.332 0.493 . . . . 10.0 112.332 -178.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' TYR . . . . . 0.689 ' CZ ' ' HA ' ' B' ' 68' ' ' ARG . 4.3 p90 -66.92 -19.7 65.77 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 112.881 0.697 . . . . 10.0 112.881 -178.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . 0.613 ' HE2' HG13 ' B' ' 100' ' ' ILE . 42.5 mtt -70.73 -25.79 63.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.191 0.519 . . . . 10.0 110.5 179.155 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 41.9 ttm105 -79.95 -43.76 21.5 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.786 -0.643 . . . . 10.0 110.459 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -75.84 -28.13 58.1 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.946 -0.57 . . . . 10.0 111.833 -179.405 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -70.02 137.44 28.27 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.65 -0.786 . . . . 10.0 113.538 -178.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -97.49 -45.1 6.56 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.077 0.465 . . . . 10.0 109.942 179.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . 0.4 ' HA3' HD11 ' B' ' 163' ' ' ILE . . . -121.98 137.06 11.29 Favored Glycine 0 N--CA 1.448 -0.507 0 N-CA-C 110.554 -1.018 . . . . 10.0 110.554 179.069 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . 0.423 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 93.2 m-85 -115.91 124.75 51.39 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.475 0.655 . . . . 10.0 111.716 -179.018 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.46 HD11 HG21 ' B' ' 114' ' ' VAL . 19.7 tp -96.85 108.89 21.66 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.476 -0.784 . . . . 10.0 110.186 -179.551 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . 0.432 ' HB3' HD12 ' B' ' 93' ' ' ILE . 18.6 m -87.23 102.27 14.32 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.902 -0.407 . . . . 10.0 109.902 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 66.2 t -107.54 132.88 53.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.129 0.49 . . . . 10.0 111.306 -178.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 33.0 p90 -139.97 163.48 32.57 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.723 -0.671 . . . . 10.0 109.544 179.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.596 ' HB3' ' HB3' ' B' ' 86' ' ' ASN . . . -97.92 131.85 44.02 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.867 -0.42 . . . . 10.0 109.867 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . 0.642 HD13 ' HA ' ' B' ' 118' ' ' CYS . 29.5 pt -64.84 -18.24 23.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 112.339 0.496 . . . . 10.0 112.339 -178.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 15.7 p-10 -107.63 12.79 27.26 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 121.253 0.549 . . . . 10.0 110.885 179.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.596 ' HB3' ' HB3' ' B' ' 83' ' ' ALA . 18.0 t-20 -131.2 90.61 2.9 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.453 -0.794 . . . . 10.0 109.473 179.637 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -65.17 -25.31 67.67 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.145 -0.48 . . . . 10.0 112.063 -178.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 25.7 tptp -58.69 -48.64 80.42 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.281 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 78.5 p -66.21 -26.34 67.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.076 -0.511 . . . . 10.0 111.347 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -67.96 -36.9 80.87 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.205 -0.452 . . . . 10.0 110.96 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -73.81 -34.99 64.83 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.83 0.348 . . . . 10.0 110.708 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -61.62 -22.88 65.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.779 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 93' ' ' ILE . . . . . 0.432 HD12 ' HB3' ' B' ' 80' ' ' CYS . 50.4 mm -58.83 -36.43 61.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.315 -0.402 . . . . 10.0 110.728 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 64.5 t60 -70.89 -45.03 65.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.756 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -60.18 -44.86 94.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.299 -0.409 . . . . 10.0 111.24 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -63.93 -46.83 82.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.08 -0.509 . . . . 10.0 109.875 178.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 17.3 ttt180 -54.82 -46.69 74.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.425 -0.807 . . . . 10.0 111.492 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -65.06 -31.75 73.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.026 -0.534 . . . . 10.0 112.328 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 99' ' ' GLN . . . . . 0.716 HE22 ' HB3' ' B' ' 68' ' ' ARG . 32.3 tt0 -74.7 -44.64 49.06 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 121.044 -0.262 . . . . 10.0 110.978 179.617 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . 0.613 HG13 ' HE2' ' B' ' 72' ' ' MET . 77.9 mt -55.58 -47.06 79.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.355 0.597 . . . . 10.0 109.898 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -70.28 -17.11 63.09 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.536 -0.757 . . . . 10.0 112.266 -179.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 8.5 tmm_? -85.41 -43.26 13.78 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.654 -0.499 . . . . 10.0 109.654 178.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . 0.455 HG23 ' O ' ' B' ' 99' ' ' GLN . 54.9 t -65.6 -43.68 93.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.406 179.352 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -87.64 -7.28 57.65 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.348 -179.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 30.4 t70 48.23 66.96 0.92 Allowed 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 112.899 0.703 . . . . 10.0 112.899 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 40.5 t -166.15 150.15 7.76 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.869 -0.605 . . . . 10.0 110.002 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -97.4 -4.16 38.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.94 0.4 . . . . 10.0 110.718 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -113.82 86.98 2.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.07 -0.514 . . . . 10.0 110.769 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 58.7 t -121.74 132.11 24.3 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.312 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -64.62 101.92 0.39 Allowed 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.932 2.421 . . . . 10.0 111.771 179.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 111' ' ' MET . . . . . 0.423 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 54.1 mtm -134.09 141.47 47.17 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.149 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 92.0 t -127.26 132.21 69.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 109.589 -0.522 . . . . 10.0 109.589 179.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 19.6 tp -90.4 118.33 29.8 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.103 -0.703 . . . . 10.0 109.103 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 114' ' ' VAL . . . . . 0.46 HG21 HD11 ' B' ' 79' ' ' LEU . 68.9 t -117.59 120.91 66.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.146 0.498 . . . . 10.0 111.815 -178.339 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -91.56 117.65 5.26 Favored Glycine 0 N--CA 1.444 -0.817 0 N-CA-C 109.437 -1.465 . . . . 10.0 109.437 178.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -100.5 160.49 14.31 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 112.388 0.514 . . . . 10.0 112.388 -178.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . 0.619 ' HE2' ' C4 ' ' B' ' 201' ' ' GSP . 82.6 mttt 64.11 36.18 9.88 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 114.858 -1.064 . . . . 10.0 111.866 179.057 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 118' ' ' CYS . . . . . 0.642 ' HA ' HD13 ' B' ' 84' ' ' ILE . 91.3 m -67.69 -9.16 41.13 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.485 0.55 . . . . 10.0 112.485 -179.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.68 -17.37 51.37 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.636 0.255 . . . . 10.0 110.694 179.577 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . 0.63 HD11 ' N2 ' ' B' ' 201' ' ' GSP . 89.4 mt -80.85 141.59 51.42 Favored Pre-proline 0 C--N 1.332 -0.186 0 CA-C-N 116.187 -0.46 . . . . 10.0 111.169 -179.742 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -87.13 174.4 5.33 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 122.543 2.162 . . . . 10.0 111.56 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 36.3 m 58.26 51.97 7.89 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.333 0.587 . . . . 10.0 112.051 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 123' ' ' ARG . . . . . 0.502 ' HB3' HD12 ' B' ' 84' ' ' ILE . 11.9 ptp180 -76.16 148.51 37.73 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.775 -0.648 . . . . 10.0 110.741 179.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 16.9 p -96.28 -35.1 11.36 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.016 0.436 . . . . 10.0 110.076 179.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 40.8 t -96.71 110.82 25.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.051 -0.522 . . . . 10.0 109.841 179.012 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . 0.506 ' O ' ' HG2' ' B' ' 129' ' ' GLN . 2.0 t70 -78.58 159.49 28.09 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.943 -0.391 . . . . 10.0 109.943 179.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.13 -49.67 76.32 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 112.935 0.716 . . . . 10.0 112.935 -178.548 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 128' ' ' LYS . . . . . 0.639 ' HB2' ' HA ' ' C' ' 47' ' ' ASP . 0.0 OUTLIER -56.47 -39.59 73.46 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 113.719 1.007 . . . . 10.0 113.719 -178.743 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . 0.506 ' HG2' ' O ' ' B' ' 126' ' ' ASP . 17.4 pt20 -67.97 -27.45 66.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.032 0.444 . . . . 10.0 111.666 -178.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -88.15 -36.6 16.76 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.571 -0.529 . . . . 10.0 109.571 179.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -67.25 -46.3 74.14 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 115.831 -0.622 . . . . 10.0 111.909 -179.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -61.95 -42.17 98.81 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.948 0.404 . . . . 10.0 110.579 179.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . 0.429 HD12 ' HA ' ' B' ' 133' ' ' LEU . 10.9 tp -63.0 -47.6 82.42 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.012 -0.54 . . . . 10.0 110.376 179.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.81 -37.9 89.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.5 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 135' ' ' ARG . . . . . 0.488 ' HD3' ' HB2' ' C' ' 165' ' ' LYS . 5.5 tmm_? -63.27 -38.75 92.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.62 -0.718 . . . . 10.0 110.225 179.355 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 21.9 t -65.82 -42.97 89.93 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.86 -0.609 . . . . 10.0 111.232 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -75.72 -35.4 60.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.336 -0.393 . . . . 10.0 111.841 -179.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 102.27 35.48 3.88 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.786 -0.721 . . . . 10.0 112.154 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 139' ' ' ILE . . . . . 0.405 ' HA ' ' HD3' ' B' ' 140' ' ' PRO . 34.3 pt -121.99 148.57 51.81 Favored Pre-proline 0 C--N 1.326 -0.431 0 N-CA-C 110.224 -0.287 . . . . 10.0 110.224 179.549 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 140' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' B' ' 139' ' ' ILE . 7.4 Cg_exo -74.82 149.94 38.35 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 122.831 2.354 . . . . 10.0 111.735 179.615 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -132.69 127.24 34.37 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.009 -0.541 . . . . 10.0 109.949 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 49.5 mt -134.29 134.13 55.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.562 -0.29 . . . . 10.0 110.738 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 143' ' ' GLU . . . . . 0.49 ' HB3' ' SG ' ' B' ' 118' ' ' CYS . 26.4 mt-10 -86.5 135.67 33.37 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.6 -0.889 . . . . 10.0 108.6 177.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 20.3 p -132.72 162.31 31.75 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.159 0.8 . . . . 10.0 113.159 -178.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 29.1 t -154.85 103.62 2.44 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.099 -1.075 . . . . 10.0 108.099 178.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 146' ' ' ALA . . . . . 0.474 ' HB1' ' HG3' ' B' ' 22' ' ' GLN . . . -64.74 -34.91 79.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.996 -0.547 . . . . 10.0 111.515 -179.125 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -61.21 -28.05 68.87 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.213 0.449 . . . . 10.0 112.213 -179.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 14.0 p -105.8 -3.7 21.69 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 121.124 -0.231 . . . . 10.0 111.307 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 149' ' ' ARG . . . . . 0.654 HH21 ' HB ' ' B' ' 152' ' ' VAL . 0.8 OUTLIER 57.11 37.47 28.57 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 121.233 0.54 . . . . 10.0 110.858 179.712 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -117.0 131.09 57.04 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.566 0.58 . . . . 10.0 112.566 -178.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 76.64 -8.75 26.09 Favored Glycine 0 C--N 1.333 0.363 0 N-CA-C 115.077 0.791 . . . . 10.0 115.077 177.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 152' ' ' VAL . . . . . 0.654 ' HB ' HH21 ' B' ' 149' ' ' ARG . 61.7 t -65.52 -43.27 94.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 117.462 0.631 . . . . 10.0 111.616 -178.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -62.06 -42.02 98.75 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.776 -0.453 . . . . 10.0 109.776 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -57.81 -43.33 85.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.187 -0.915 . . . . 10.0 111.999 -179.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -58.19 -45.7 87.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 10.0 111.42 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -69.01 -40.51 78.65 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.369 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 6.2 m-30 -65.33 -41.62 93.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 10.0 111.416 -179.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 35.0 m -66.22 -42.14 89.11 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.982 -0.554 . . . . 10.0 112.257 -179.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 62.6 tp -61.83 -42.09 98.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.683 0.278 . . . . 10.0 111.687 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 91.8 t -62.12 -39.37 83.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.341 0.591 . . . . 10.0 110.118 179.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 161' ' ' ARG . . . . . 0.404 ' HG2' ' HG3' ' C' ' 135' ' ' ARG . 9.9 ttp180 -62.39 -38.81 91.05 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.338 -0.846 . . . . 10.0 110.891 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -64.76 -37.33 87.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.298 -0.41 . . . . 10.0 111.086 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 163' ' ' ILE . . . . . 0.4 HD11 ' HA3' ' B' ' 77' ' ' GLY . 44.5 mt -69.64 -47.16 72.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 109.8 -0.445 . . . . 10.0 109.8 179.344 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 41.0 ttm105 -60.21 -38.19 82.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.606 -0.725 . . . . 10.0 109.541 179.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 165' ' ' LYS . . . . . 0.866 ' HG2' ' HD3' ' B' ' 169' ' ' LYS . 31.5 ttmt -66.4 -48.67 69.33 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.469 -0.787 . . . . 10.0 110.422 179.498 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -56.0 -49.03 74.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.996 -0.547 . . . . 10.0 111.584 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 35.7 mtpt -69.24 -42.11 76.1 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.478 0.547 . . . . 10.0 112.478 -178.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -64.0 -39.4 94.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.207 0.527 . . . . 10.0 110.465 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 169' ' ' LYS . . . . . 0.866 ' HD3' ' HG2' ' B' ' 165' ' ' LYS . 0.2 OUTLIER -85.43 6.07 28.29 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.99 -0.55 . . . . 10.0 112.133 -178.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 12.9 mmm -99.97 -20.34 16.14 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.008 0.373 . . . . 10.0 112.008 -179.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -81.68 -5.81 58.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.577 0.227 . . . . 10.0 111.344 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 6.4 mtpt -126.61 49.31 2.05 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.951 0.405 . . . . 10.0 111.126 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 173' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -98.31 -169.67 1.84 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.613 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . 75.04 39.29 38.04 Favored Glycine 0 N--CA 1.45 -0.431 0 N-CA-C 111.307 -0.717 . . . . 10.0 111.307 -179.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 175' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -92.33 138.19 31.73 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.163 0.506 . . . . 10.0 111.87 -179.129 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 176' ' ' LYS . . . . . . . . . . . . . 51.4 mttt -130.99 122.96 27.78 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.757 -0.656 . . . . 10.0 109.839 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 177' ' ' LYS . . . . . . . . . . . . . 7.9 tmtm? -103.78 -64.39 1.1 Allowed 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 121.141 -0.223 . . . . 10.0 111.253 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 178' ' ' LYS . . . . . 0.787 ' HG3' ' H ' ' B' ' 179' ' ' LYS . 3.6 tptm 66.61 -153.08 0.22 Allowed 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.285 -179.669 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 179' ' ' LYS . . . . . 0.787 ' H ' ' HG3' ' B' ' 178' ' ' LYS . 28.0 mtmt -141.6 -178.53 5.69 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 110.123 -0.325 . . . . 10.0 110.123 -179.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -101.56 173.48 6.41 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.695 -0.229 . . . . 10.0 110.788 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 47.2 m -135.73 -104.16 0.21 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.557 -0.292 . . . . 10.0 111.154 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 16.9 mtpp -145.87 47.37 1.25 Allowed 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.921 0.391 . . . . 10.0 111.523 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 183' ' ' THR . . . . . 0.465 ' CG2' H283 ' A' ' 403' ' ' PCW . 0.1 OUTLIER -112.82 -49.34 2.94 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.948 0.404 . . . . 10.0 110.933 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 184' ' ' LYS . . . . . 0.694 ' HB3' H162 ' A' ' 403' ' ' PCW . 58.9 tttp . . . . . 0 C--N 1.327 -0.388 0 CA-C-O 121.047 0.451 . . . . 10.0 111.04 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 CA-C-O 120.89 0.376 . . . . 10.0 111.284 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 2' ' ' THR . . . . . 0.618 ' HB ' ' CE2' ' C' ' 4' ' ' TYR . 0.3 OUTLIER -81.67 126.66 32.04 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.292 -0.413 . . . . 10.0 109.966 -179.378 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -90.52 132.59 35.6 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.382 -0.372 . . . . 10.0 110.844 -179.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 4' ' ' TYR . . . . . 0.618 ' CE2' ' HB ' ' C' ' 2' ' ' THR . 98.2 m-85 -128.44 106.54 9.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.51 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 5' ' ' LYS . . . . . 0.607 ' HA ' ' HB3' ' C' ' 54' ' ' ASP . 41.3 mttm -81.13 111.1 17.27 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.28 -0.418 . . . . 10.0 109.901 179.468 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . 0.464 ' O ' ' HA ' ' C' ' 55' ' ' ILE . 18.2 mt -113.27 125.65 54.54 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.897 -178.655 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 43.9 t -113.36 122.55 67.71 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 N-CA-C 109.942 -0.392 . . . . 10.0 109.942 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.726 HG12 ' HD2' ' C' ' 16' ' ' LYS . 3.0 t -87.38 114.92 27.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 108.987 -0.746 . . . . 10.0 108.987 179.622 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . 0.507 ' HB ' ' HD1' ' C' ' 96' ' ' TYR . 15.1 m -113.4 148.3 16.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.119 0.485 . . . . 10.0 111.425 -179.309 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 154.84 171.83 21.98 Favored Glycine 0 N--CA 1.444 -0.803 0 N-CA-C 111.16 -0.776 . . . . 10.0 111.16 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.66 -175.58 0.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.336 0.589 . . . . 10.0 112.181 -179.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.2 146.27 25.46 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.756 -0.657 . . . . 10.0 110.913 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 13' ' ' GLY . . . . . 0.719 ' HA2' H5'1 ' C' ' 201' ' ' GSP . . . 73.5 13.11 80.27 Favored Glycine 0 CA--C 1.523 0.543 0 CA-C-N 115.806 -0.634 . . . . 10.0 114.28 179.111 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 32.0 m -84.81 -25.56 6.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 112.788 0.662 . . . . 10.0 112.788 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . 0.647 ' HA2' ' C8 ' ' C' ' 201' ' ' GSP . . . 115.39 16.52 7.06 Favored Glycine 0 C--N 1.334 0.446 0 C-N-CA 120.297 -0.954 . . . . 10.0 114.418 179.341 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . 0.726 ' HD2' HG12 ' C' ' 8' ' ' VAL . 21.1 mtmm -59.54 -40.55 87.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.044 0.449 . . . . 10.0 112.053 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 17' ' ' SER . . . . . 0.499 ' HB2' ' PA ' ' C' ' 201' ' ' GSP . 43.2 m -75.51 -44.08 45.63 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 110.092 -0.336 . . . . 10.0 110.092 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.33 -49.91 68.64 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.881 -0.6 . . . . 10.0 111.661 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 78.2 mt -60.82 -45.38 94.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.398 -0.365 . . . . 10.0 111.493 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 14.6 m -66.32 -49.83 65.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.261 -0.427 . . . . 10.0 111.298 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 94.3 mt -60.38 -34.87 59.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.561 -0.29 . . . . 10.0 111.374 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 22' ' ' GLN . . . . . 0.695 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 2.8 mm-40 -61.58 -24.47 66.69 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.483 0.549 . . . . 10.0 112.483 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.779 HD21 ' HA ' ' C' ' 153' ' ' ASP . 7.6 mp -106.25 -28.43 10.43 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 111.686 0.254 . . . . 10.0 111.686 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 24' ' ' ILE . . . . . 0.439 HD11 HD12 ' C' ' 55' ' ' ILE . 43.6 mm -78.0 -57.34 5.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-O 120.791 0.329 . . . . 10.0 110.866 179.419 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -96.89 -14.77 21.57 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.36 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 26' ' ' ASN . . . . . 0.695 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 21.9 m-80 66.13 52.49 1.16 Allowed 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 113.87 1.063 . . . . 10.0 113.87 178.511 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -162.52 161.94 27.17 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.559 -0.291 . . . . 10.0 110.293 178.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 28' ' ' PHE . . . . . 0.435 ' HZ ' ' C2 ' ' C' ' 201' ' ' GSP . 42.4 t80 -101.63 137.6 39.73 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.939 0.4 . . . . 10.0 111.208 -179.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 11.1 m -97.44 128.28 48.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.202 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -94.36 -29.55 14.95 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.504 0.669 . . . . 10.0 109.295 179.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -80.17 138.9 36.95 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.48 -0.782 . . . . 10.0 110.626 -179.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -89.77 113.32 24.84 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.587 -179.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -127.61 108.47 20.76 Favored Pre-proline 0 C--N 1.321 -0.633 0 C-N-CA 120.928 -0.309 . . . . 10.0 111.008 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_exo -58.73 130.36 36.62 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 122.729 2.286 . . . . 10.0 111.498 179.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 35' ' ' THR . . . . . 0.501 ' CG2' ' HB2' ' C' ' 38' ' ' ASP . 2.2 m -104.46 123.63 47.82 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.494 -179.262 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 45.5 mm -83.82 -57.18 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.872 0.368 . . . . 10.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -161.74 78.84 0.55 Allowed 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.48 -0.563 . . . . 10.0 109.48 -179.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 38' ' ' ASP . . . . . 0.501 ' HB2' ' CG2' ' C' ' 35' ' ' THR . 0.1 OUTLIER -111.76 127.36 55.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.186 -179.196 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.06 149.46 30.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.978 -0.555 . . . . 10.0 111.391 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -137.7 141.76 41.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.708 -0.678 . . . . 10.0 109.483 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' C' ' 53' ' ' LEU . 1.7 mpp_? -115.57 130.05 56.73 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.732 0.301 . . . . 10.0 110.939 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 56.8 tttp -133.52 133.64 42.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -108.92 106.48 16.48 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.814 -0.439 . . . . 10.0 109.814 179.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 1.5 m -128.36 161.45 36.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 120.966 0.412 . . . . 10.0 111.21 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -93.81 106.88 18.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.312 179.143 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 68.1 mt -113.12 119.41 60.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.456 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 47' ' ' ASP . . . . . 0.664 ' HB2' HH12 ' C' ' 164' ' ' ARG . 19.7 m-20 63.24 32.23 15.03 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.159 -0.928 . . . . 10.0 111.431 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.68 -4.56 78.44 Favored Glycine 0 C--N 1.33 0.25 0 CA-C-N 115.753 -0.658 . . . . 10.0 113.035 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -110.57 133.53 53.22 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.653 0.263 . . . . 10.0 110.988 -178.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.41 125.92 27.98 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.274 -0.639 . . . . 10.0 109.274 178.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 17.3 m -123.76 131.69 53.65 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 112.396 0.517 . . . . 10.0 112.396 -178.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 41.5 tp -100.13 102.55 13.9 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 107.874 -1.158 . . . . 10.0 107.874 177.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . 0.408 ' O ' ' HA ' ' C' ' 41' ' ' ARG . 19.0 mt -86.17 127.6 34.75 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 113.186 0.809 . . . . 10.0 113.186 -177.41 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . 0.607 ' HB3' ' HA ' ' C' ' 5' ' ' LYS . 18.6 t0 -108.08 87.83 2.59 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 107.341 -1.355 . . . . 10.0 107.341 177.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 55' ' ' ILE . . . . . 0.464 ' HA ' ' O ' ' C' ' 6' ' ' LEU . 3.1 mt -93.55 147.25 5.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.038 -0.528 . . . . 10.0 112.028 -176.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 9.6 tp -147.62 130.02 15.75 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.372 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 57' ' ' ASP . . . . . 0.617 ' OD1' ' HE2' ' C' ' 16' ' ' LYS . 29.0 t0 -91.08 138.58 31.49 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 109.721 -0.474 . . . . 10.0 109.721 178.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 33.2 p -103.97 147.83 26.91 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.22 0.533 . . . . 10.0 111.792 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.81 103.32 5.84 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.733 -0.667 . . . . 10.0 109.769 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -82.99 22.51 6.75 Favored Glycine 0 C--O 1.228 -0.221 0 C-N-CA 121.199 -0.525 . . . . 10.0 113.081 -179.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -91.18 1.61 56.97 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.176 -0.676 . . . . 10.0 109.176 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 62' ' ' GLU . . . . . 0.462 ' HB3' ' H ' ' C' ' 63' ' ' GLU . 40.0 mm-40 67.77 -157.94 0.21 Allowed 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.401 -0.818 . . . . 10.0 111.444 -179.354 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 63' ' ' GLU . . . . . 0.462 ' H ' ' HB3' ' C' ' 62' ' ' GLU . 1.3 tt0 76.2 -24.3 0.22 Allowed 'General case' 0 N--CA 1.466 0.347 0 O-C-N 123.609 0.568 . . . . 10.0 111.582 -179.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 64' ' ' TYR . . . . . 0.599 ' HB3' ' HB3' ' C' ' 67' ' ' MET . 47.4 m-85 -96.13 79.87 3.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.528 -0.306 . . . . 10.0 110.532 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -78.11 -59.62 2.71 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.011 -0.54 . . . . 10.0 111.048 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.72 -35.48 65.09 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.85 -0.614 . . . . 10.0 111.981 -179.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 67' ' ' MET . . . . . 0.599 ' HB3' ' HB3' ' C' ' 64' ' ' TYR . 27.5 ttt -61.4 -35.58 77.91 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.153 0.501 . . . . 10.0 110.937 179.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 68' ' ' ARG . . . . . 0.645 ' O ' ' HG2' ' C' ' 72' ' ' MET . 13.4 ttp180 -65.72 -32.28 73.75 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.883 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.38 -23.83 67.43 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.318 -0.401 . . . . 10.0 111.344 -179.567 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -62.22 -58.88 6.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.478 -0.328 . . . . 10.0 111.655 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 71' ' ' TYR . . . . . 0.593 ' CE2' ' HA ' ' C' ' 68' ' ' ARG . 0.1 OUTLIER -72.45 -14.04 61.59 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.446 0.535 . . . . 10.0 112.446 -179.53 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 72' ' ' MET . . . . . 0.645 ' HG2' ' O ' ' C' ' 68' ' ' ARG . 19.3 mmt -69.43 -22.29 63.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.113 0.482 . . . . 10.0 110.538 179.227 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 73' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' C' ' 73' ' ' ARG . 68.6 mtt85 -86.12 -49.38 7.81 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.649 -179.323 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.34 -40.17 74.25 Favored 'General case' 0 C--O 1.238 0.45 0 O-C-N 123.348 0.405 . . . . 10.0 111.925 -179.247 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.73 135.38 38.23 Favored Glycine 0 C--N 1.333 0.376 0 O-C-N 123.579 0.549 . . . . 10.0 112.922 -179.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -100.9 -52.79 3.21 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.841 -0.429 . . . . 10.0 109.841 179.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 77' ' ' GLY . . . . . 0.444 ' HA2' ' HB2' ' C' ' 110' ' ' PRO . . . -102.11 124.71 8.29 Favored Glycine 0 N--CA 1.441 -0.998 0 N-CA-C 111.1 -0.8 . . . . 10.0 111.1 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 78' ' ' PHE . . . . . 0.459 ' HB2' ' HG3' ' C' ' 111' ' ' MET . 96.9 m-85 -105.6 122.59 46.35 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.414 0.626 . . . . 10.0 111.513 -179.511 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . 0.533 HD23 HG13 ' C' ' 8' ' ' VAL . 18.5 tp -96.66 97.65 9.54 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.452 -0.794 . . . . 10.0 109.66 -179.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 80' ' ' CYS . . . . . 0.776 ' HB3' HD12 ' C' ' 93' ' ' ILE . 79.4 m -79.67 101.32 8.31 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.959 0.409 . . . . 10.0 110.294 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 62.0 t -106.73 129.49 60.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.857 -0.61 . . . . 10.0 111.554 -179.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -135.67 167.67 20.69 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.636 -0.711 . . . . 10.0 109.451 179.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -106.38 135.18 48.32 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.486 -0.325 . . . . 10.0 110.193 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 84' ' ' ILE . . . . . 0.495 HD12 ' HB3' ' C' ' 123' ' ' ARG . 39.9 pt -68.02 -12.36 15.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 112.316 0.487 . . . . 10.0 112.316 -179.622 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -97.7 -13.66 21.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.245 0.545 . . . . 10.0 110.04 179.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 48.6 t-20 -106.81 93.91 4.82 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.966 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.23 -35.68 74.09 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.609 -0.723 . . . . 10.0 112.099 -179.098 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 14.6 tttp -65.07 -40.04 94.11 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.496 -0.32 . . . . 10.0 111.619 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . 0.491 ' HA ' ' HB2' ' C' ' 92' ' ' ASP . 95.2 p -61.02 -28.18 68.86 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.842 0.353 . . . . 10.0 111.412 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 92.6 t80 -69.73 -36.93 76.28 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.416 0.626 . . . . 10.0 109.33 178.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -80.06 -27.86 39.31 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.6 -0.727 . . . . 10.0 109.705 179.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 92' ' ' ASP . . . . . 0.491 ' HB2' ' HA ' ' C' ' 89' ' ' SER . 0.2 OUTLIER -58.92 -35.73 73.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.547 -0.751 . . . . 10.0 110.664 178.948 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 93' ' ' ILE . . . . . 0.776 HD12 ' HB3' ' C' ' 80' ' ' CYS . 51.5 mm -59.17 -39.12 77.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.74 -0.664 . . . . 10.0 111.07 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -59.5 -41.07 89.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.39 -0.368 . . . . 10.0 110.321 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 31.1 m-70 -74.01 -39.76 63.37 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.954 -0.566 . . . . 10.0 110.894 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 96' ' ' TYR . . . . . 0.507 ' HD1' ' HB ' ' C' ' 9' ' ' VAL . 3.2 m-85 -63.91 -46.97 82.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.718 179.391 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -57.51 -42.44 82.78 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.951 -0.568 . . . . 10.0 111.245 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -66.46 -37.39 85.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.293 -0.412 . . . . 10.0 111.72 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 99' ' ' GLN . . . . . 0.621 ' O ' HG23 ' C' ' 103' ' ' VAL . 21.7 tt0 -63.53 -45.71 89.34 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.337 -0.616 . . . . 10.0 109.337 179.315 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 100' ' ' ILE . . . . . 0.513 HG12 ' SD ' ' C' ' 72' ' ' MET . 81.9 mt -56.81 -46.76 83.5 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 CA-C-N 115.713 -0.676 . . . . 10.0 110.387 179.467 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 101' ' ' LYS . . . . . 0.483 ' HB3' ' HE2' ' C' ' 101' ' ' LYS . 31.3 mtpt -59.98 -39.22 84.96 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.837 -0.62 . . . . 10.0 111.174 179.512 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 8.2 tmm_? -70.11 -46.51 64.68 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.477 -0.783 . . . . 10.0 111.706 -179.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 103' ' ' VAL . . . . . 0.621 HG23 ' O ' ' C' ' 99' ' ' GLN . 40.1 t -62.86 -50.85 78.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 112.067 0.395 . . . . 10.0 112.067 -179.304 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 22.4 mtpp -79.8 -16.12 56.13 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 112.546 0.573 . . . . 10.0 112.546 -178.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 3.7 t70 60.01 48.06 9.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.686 0.755 . . . . 10.0 110.591 -179.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 44.8 m -147.79 139.96 24.28 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.578 -0.737 . . . . 10.0 110.981 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 26.8 tp10 -77.74 -42.21 34.99 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.444 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -96.54 107.99 20.49 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.095 -0.502 . . . . 10.0 111.14 -179.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 88.2 t -131.55 133.96 24.96 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.851 -0.613 . . . . 10.0 109.662 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 110' ' ' PRO . . . . . 0.451 ' HG3' ' HB2' ' C' ' 166' ' ' HIS . 51.9 Cg_exo -55.43 110.42 0.55 Allowed 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 122.552 2.168 . . . . 10.0 110.991 179.082 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 111' ' ' MET . . . . . 0.459 ' HG3' ' HB2' ' C' ' 78' ' ' PHE . 9.9 ttm -142.87 146.72 34.37 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.297 -178.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 88.6 t -133.79 131.47 56.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 109.573 -0.529 . . . . 10.0 109.573 179.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 113' ' ' LEU . . . . . 0.432 ' O ' ' HA ' ' C' ' 141' ' ' PHE . 15.4 tp -92.54 117.2 29.7 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.247 -0.649 . . . . 10.0 109.247 179.742 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 70.0 t -124.67 130.52 73.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 121.194 0.521 . . . . 10.0 111.898 -179.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -107.96 125.45 7.91 Favored Glycine 0 N--CA 1.444 -0.793 0 N-CA-C 110.285 -1.126 . . . . 10.0 110.285 178.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -103.38 168.42 9.17 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.943 0.372 . . . . 10.0 110.625 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 117' ' ' LYS . . . . . 0.599 ' HE2' ' C5 ' ' C' ' 201' ' ' GSP . 93.9 mttt 66.71 29.91 8.4 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 123.409 0.684 . . . . 10.0 112.001 179.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 118' ' ' CYS . . . . . 0.466 ' HA ' ' CD1' ' C' ' 84' ' ' ILE . 53.5 m -70.93 -6.7 40.55 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.32 0.489 . . . . 10.0 112.32 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -87.25 -8.67 56.54 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.295 -0.411 . . . . 10.0 110.216 179.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 1.7 mt -98.89 132.38 23.82 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.834 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.57 -174.73 2.12 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.993 2.462 . . . . 10.0 111.862 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 12.4 m 60.44 42.22 14.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.886 -0.597 . . . . 10.0 111.724 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 123' ' ' ARG . . . . . 0.575 ' HD3' ' O ' ' C' ' 125' ' ' VAL . 5.9 ptp180 -73.57 145.47 45.45 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.366 -0.379 . . . . 10.0 110.925 179.736 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 1.3 p -101.96 -18.24 15.76 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.193 0.52 . . . . 10.0 110.608 179.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 125' ' ' VAL . . . . . 0.575 ' O ' ' HD3' ' C' ' 123' ' ' ARG . 59.8 t -104.52 124.06 58.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.688 -0.687 . . . . 10.0 111.109 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 126' ' ' ASP . . . . . 0.402 ' HB2' ' HG2' ' C' ' 129' ' ' GLN . 0.8 OUTLIER -83.99 147.95 27.16 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.914 -0.585 . . . . 10.0 110.237 -179.781 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 127' ' ' THR . . . . . 0.622 HG23 ' HE2' ' C' ' 141' ' ' PHE . 10.7 m -68.39 -40.28 81.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.918 0.39 . . . . 10.0 110.401 179.686 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt -60.43 -47.74 84.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.666 -0.697 . . . . 10.0 110.78 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 129' ' ' GLN . . . . . 0.402 ' HG2' ' HB2' ' C' ' 126' ' ' ASP . 3.0 pt20 -66.64 -31.93 72.93 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.863 0.363 . . . . 10.0 111.256 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.14 -37.56 69.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.191 0.519 . . . . 10.0 109.735 179.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -71.3 -32.82 69.09 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.604 -0.725 . . . . 10.0 111.089 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -64.2 -41.64 96.98 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.276 0.56 . . . . 10.0 109.567 178.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 22.1 tp -67.58 -39.29 84.87 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.528 -0.76 . . . . 10.0 109.264 178.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.77 -36.47 84.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.532 -0.758 . . . . 10.0 109.894 179.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 135' ' ' ARG . . . . . 0.404 ' HG3' ' HG2' ' B' ' 161' ' ' ARG . 2.6 tmm_? -65.3 -38.26 89.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.989 -0.55 . . . . 10.0 109.832 179.389 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 9.7 t -66.56 -35.69 80.83 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.163 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 19.8 m-30 -79.82 -37.65 34.66 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.048 -0.523 . . . . 10.0 110.826 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 92.66 33.88 7.24 Favored Glycine 0 N--CA 1.446 -0.69 0 N-CA-C 110.48 -1.048 . . . . 10.0 110.48 -179.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 139' ' ' ILE . . . . . 0.428 HG21 ' HB3' ' C' ' 111' ' ' MET . 48.0 pt -126.02 157.24 70.13 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 115.635 -0.282 . . . . 10.0 110.381 -179.064 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_endo -79.35 150.53 22.45 Favored 'Trans proline' 0 CA--C 1.532 0.395 0 C-N-CA 122.253 1.969 . . . . 10.0 112.273 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 141' ' ' PHE . . . . . 0.622 ' HE2' HG23 ' C' ' 127' ' ' THR . 54.7 t80 -122.6 121.88 37.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.047 179.211 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 142' ' ' ILE . . . . . 0.425 HD12 ' HA ' ' C' ' 155' ' ' ALA . 59.6 mt -123.99 123.94 67.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.248 -0.433 . . . . 10.0 111.647 -179.056 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -84.06 129.59 34.9 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.409 -0.96 . . . . 10.0 108.409 178.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 46.5 p -135.45 168.54 19.03 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.564 0.697 . . . . 10.0 112.681 -178.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 13.7 t -146.61 113.2 5.99 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.192 -1.04 . . . . 10.0 108.192 178.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -65.11 -26.34 68.17 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.236 -0.438 . . . . 10.0 111.246 -179.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 147' ' ' LYS . . . . . 0.489 ' HD2' ' HN1' ' C' ' 201' ' ' GSP . 31.1 mtpt -71.21 -22.82 61.96 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.824 0.676 . . . . 10.0 112.824 -179.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -123.68 2.72 8.9 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.972 0.36 . . . . 10.0 111.972 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 14.7 ttt85 57.91 30.47 19.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.36 0.6 . . . . 10.0 110.22 -178.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -66.76 99.71 0.63 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.356 -0.838 . . . . 10.0 112.712 -178.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 61.36 16.46 49.62 Favored Glycine 0 CA--C 1.52 0.403 0 CA-C-N 115.751 -0.659 . . . . 10.0 114.663 178.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 49.5 t -64.96 -39.62 86.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 117.231 0.516 . . . . 10.0 110.424 -179.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 153' ' ' ASP . . . . . 0.779 ' HA ' HD21 ' C' ' 23' ' ' LEU . 0.4 OUTLIER -66.54 -45.1 80.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.892 -0.595 . . . . 10.0 110.355 -179.899 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -64.98 -40.22 94.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.593 -0.731 . . . . 10.0 112.073 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 155' ' ' ALA . . . . . 0.425 ' HA ' HD12 ' C' ' 142' ' ' ILE . . . -57.77 -43.93 85.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.684 179.66 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 156' ' ' PHE . . . . . 0.49 ' CD2' HD22 ' C' ' 23' ' ' LEU . 9.2 m-30 -69.43 -38.79 78.02 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.562 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 13.0 m-30 -63.35 -40.16 96.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.127 0.489 . . . . 10.0 110.645 179.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 158' ' ' THR . . . . . 0.607 ' HA ' ' HE ' ' C' ' 161' ' ' ARG . 92.6 m -62.52 -32.32 73.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.752 -0.658 . . . . 10.0 111.212 179.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 159' ' ' LEU . . . . . 0.455 ' HG ' HD22 ' C' ' 6' ' ' LEU . 38.0 tp -63.08 -34.25 77.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.35 0.595 . . . . 10.0 109.888 178.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 62.2 t -71.63 -37.29 62.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.695 -0.684 . . . . 10.0 109.688 178.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 161' ' ' ARG . . . . . 0.607 ' HE ' ' HA ' ' C' ' 158' ' ' THR . 0.9 OUTLIER -61.81 -38.61 88.75 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.726 -0.67 . . . . 10.0 109.932 179.242 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -62.33 -38.57 89.98 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.991 -0.549 . . . . 10.0 111.195 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 62.6 mt -64.01 -46.72 93.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-O 120.901 0.382 . . . . 10.0 110.448 179.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 164' ' ' ARG . . . . . 0.664 HH12 ' HB2' ' C' ' 47' ' ' ASP . 81.0 mtt180 -62.37 -40.88 97.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.902 -0.59 . . . . 10.0 109.664 179.306 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 165' ' ' LYS . . . . . 0.488 ' HB2' ' HD3' ' B' ' 135' ' ' ARG . 33.9 ttmt -62.41 -46.85 86.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.388 -0.823 . . . . 10.0 110.089 179.312 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 166' ' ' HIS . . . . . 0.451 ' HB2' ' HG3' ' C' ' 110' ' ' PRO . 15.3 t-80 -55.08 -50.41 69.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.603 -0.726 . . . . 10.0 110.721 179.588 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 47.4 mttt -64.45 -40.27 95.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.338 -0.392 . . . . 10.0 111.544 -179.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -64.14 -51.82 62.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.128 0.489 . . . . 10.0 110.261 179.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 169' ' ' LYS . . . . . 0.44 ' HB3' ' HE2' ' C' ' 169' ' ' LYS . 40.5 mtpt -62.23 -42.72 99.56 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.594 -0.73 . . . . 10.0 111.531 -179.51 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 9.5 mmt -64.34 -30.91 71.95 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.396 0.517 . . . . 10.0 112.396 -179.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 50.6 m -67.15 -22.05 65.79 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.016 0.436 . . . . 10.0 110.647 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -108.73 -3.05 18.13 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.878 -0.601 . . . . 10.0 109.938 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 173' ' ' ASP . . . . . . . . . . . . . 29.3 t70 67.38 4.14 3.62 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.466 -0.788 . . . . 10.0 111.362 -179.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . 78.69 -10.31 32.02 Favored Glycine 0 N--CA 1.451 -0.328 0 CA-C-N 116.012 -0.54 . . . . 10.0 112.768 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 175' ' ' LYS . . . . . 0.433 ' HB2' ' H ' ' C' ' 176' ' ' LYS . 13.3 pttm -153.38 -149.93 0.31 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 110.003 -0.369 . . . . 10.0 110.003 -178.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 176' ' ' LYS . . . . . 0.433 ' H ' ' HB2' ' C' ' 175' ' ' LYS . 30.9 mttp 62.05 24.25 14.41 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.081 0.467 . . . . 10.0 111.944 179.64 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 177' ' ' LYS . . . . . 0.45 ' HA ' ' HD3' ' C' ' 177' ' ' LYS . 3.6 tppt? -120.54 -7.65 9.65 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.007 0.432 . . . . 10.0 110.33 179.286 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 178' ' ' LYS . . . . . 0.41 ' HB3' ' HE3' ' C' ' 178' ' ' LYS . 8.7 ttpp 59.7 30.47 20.06 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.255 -0.884 . . . . 10.0 112.237 179.505 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 179' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -95.3 126.02 40.33 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.108 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 180' ' ' LYS . . . . . . . . . . . . . 49.7 tptt -148.61 -53.48 0.18 Allowed 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.104 0.478 . . . . 10.0 110.479 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 24.5 p -113.73 -171.01 1.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.049 -0.523 . . . . 10.0 110.602 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 182' ' ' LYS . . . . . . . . . . . . . 10.0 mmtt -104.56 24.49 11.62 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.928 0.394 . . . . 10.0 110.746 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 183' ' ' THR . . . . . 0.625 ' HB ' ' H51' ' B' ' 204' ' ' PCW . 1.1 p -70.48 112.11 6.51 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.242 -0.435 . . . . 10.0 110.749 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 184' ' ' LYS . . . . . 0.692 ' HA ' ' C6 ' ' B' ' 204' ' ' PCW . 53.7 tttm . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.259 -179.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 401' ' ' PCW . . . . . 0.955 H182 H221 ' A' ' 401' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 402' ' ' PCW . . . . . 1.073 H162 H211 ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 403' ' ' PCW . . . . . 0.989 ' O4P' ' H31' ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 404' ' ' PCW . . . . . 1.033 ' H39' H451 ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 405' ' ' PCW . . . . . 0.836 H352 H421 ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 406' ' ' PCW . . . . . 0.972 H381 H321 ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 407' ' ' PCW . . . . . 1.094 H212 ' C17' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 408' ' ' PCW . . . . . 1.131 H222 ' H54' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 409' ' ' PCW . . . . . 1.15 ' C19' H142 ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 410' ' ' PCW . . . . . 0.982 ' H39' H371 ' A' ' 412' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 411' ' ' PCW . . . . . 0.864 H222 H171 ' A' ' 408' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 412' ' ' PCW . . . . . 0.982 H371 ' H39' ' A' ' 410' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 413' ' ' PCW . . . . . 1.042 ' H11' ' H41' ' A' ' 408' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 414' ' ' PCW . . . . . 1.022 H472 H432 ' A' ' 414' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 415' ' ' 17F . . . . . 0.965 ' H10' H11A ' B' ' 209' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 416' ' ' 17F . . . . . 0.953 ' H71' ' H47' ' A' ' 415' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 417' ' ' PCW . . . . . 0.916 H472 H251 ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 418' ' ' PCW . . . . . 0.982 H341 H132 ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 419' ' ' PCW . . . . . 0.933 H241 H432 ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 420' ' ' PCW . . . . . 1.098 H372 H422 ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 421' ' ' PCW . . . . . 1.052 H362 ' H8A' ' D' ' 630' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 422' ' ' 17F . . . . . 1.132 ' H65' ' H70' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 601' ' ' PCW . . . . . 1.052 H421 H461 ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 602' ' ' PCW . . . . . 1.062 H172 H212 ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 603' ' ' PCW . . . . . 1.07 H451 H432 ' D' ' 611' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 604' ' ' PCW . . . . . 0.979 H451 H181 ' D' ' 606' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 605' ' ' PCW . . . . . 1.105 H371 H322 ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 606' ' ' PCW . . . . . 1.073 ' H61' H281 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 607' ' ' PCW . . . . . 1.054 ' H12' ' C37' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 608' ' ' PCW . . . . . 1.041 ' H41' H222 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 609' ' ' PCW . . . . . 0.908 H271 ' H73' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 610' ' ' PCW . . . . . 0.822 ' H42' ' O8 ' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 611' ' ' PCW . . . . . 1.07 H432 H451 ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 612' ' ' PCW . . . . . 1.25 ' C32' H352 ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 613' ' ' PCW . . . . . 1.079 H212 H172 ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 614' ' ' PCW . . . . . 0.95 H362 ' C18' ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 615' ' ' PCW . . . . . 1.034 H432 H222 ' D' ' 620' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 616' ' ' PCW . . . . . 0.981 H452 H241 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 617' ' ' PCW . . . . . 1.134 ' H11' H342 ' C' ' 216' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 618' ' ' PCW . . . . . 1.098 H422 H372 ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 619' ' ' PCW . . . . . 1.119 H422 H261 ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 620' ' ' PCW . . . . . 1.044 H452 ' C22' ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 621' ' ' PCW . . . . . 1.034 H152 ' H18' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 622' ' ' PCW . . . . . 1.063 H421 ' H62' ' A' ' 422' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 623' ' ' PCW . . . . . 1.25 H352 ' C32' ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 624' ' ' PCW . . . . . 1.019 H282 H272 ' C' ' 217' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 625' ' ' PCW . . . . . 1.044 ' H19' H151 ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 626' ' ' PCW . . . . . 1.073 H281 ' H61' ' D' ' 606' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 627' ' ' PCW . . . . . 1.119 H261 H422 ' D' ' 619' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 628' ' ' 17F . . . . . 0.975 ' H57' H19A ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 629' ' ' 17F . . . . . 1.088 H19A ' H9A' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 630' ' ' 17F . . . . . 1.052 ' H8A' H362 ' A' ' 421' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 631' ' ' 17F . . . . . 1.131 ' H54' H222 ' A' ' 408' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 632' ' ' 17F . . . . . 1.132 ' H70' ' H65' ' A' ' 422' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 201' ' ' GSP . . . . . 0.738 H5'2 ' CE1' ' B' ' 32' ' ' TYR . . . . . . . . 0 O4'--C1' 1.437 1.92 2 O4'-C1'-N19 112.894 4.694 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 202' ' ' ' MG' . . . . . 0.643 'MG ' ' O3G' ' B' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 203' ' ' PCW . . . . . 0.984 H222 ' C1Y' ' B' ' 209' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 204' ' ' PCW . . . . . 1.012 H231 H272 ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 205' ' ' PCW . . . . . 1.048 ' H2 ' ' H62' ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 206' ' ' PCW . . . . . 1.12 H252 H171 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 207' ' ' PCW . . . . . 1.063 ' H19' H19A ' B' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 208' ' ' PCW . . . . . 1.121 H161 H283 ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 209' ' ' 17F . . . . . 0.984 ' C1Y' H222 ' B' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 210' ' ' 17F . . . . . 1.063 H19A ' H19' ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 211' ' ' 17F . . . . . 1.048 ' H69' ' H11' ' B' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 201' ' ' GSP . . . . . 0.719 H5'1 ' HA2' ' C' ' 13' ' ' GLY . . . . . . . . 0 O4'--C1' 1.44 2.164 2 O4'-C1'-N19 112.926 4.726 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 202' ' ' ' MG' . . . . . 0.624 'MG ' ' O3G' ' C' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 203' ' ' PCW . . . . . 1.121 H283 H161 ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 204' ' ' PCW . . . . . 1.08 H232 H452 ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 205' ' ' PCW . . . . . 1.12 H171 H252 ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 206' ' ' PCW . . . . . 1.158 H141 H342 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 207' ' ' PCW . . . . . 1.09 H151 ' H56' ' C' ' 213' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 208' ' ' PCW . . . . . 1.158 H342 H141 ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 209' ' ' PCW . . . . . 1.014 ' O11' ' H51' ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 210' ' ' PCW . . . . . 1.045 H371 H121 ' C' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 211' ' ' PCW . . . . . 1.019 H132 ' H56' ' C' ' 215' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 212' ' ' PCW . . . . . 1.065 H231 H432 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 213' ' ' 17F . . . . . 1.137 ' O1 ' ' H73' ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 214' ' ' 17F . . . . . 1.021 ' H67' H362 ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 215' ' ' 17F . . . . . 1.019 ' H56' H132 ' C' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 216' ' ' PCW . . . . . 1.134 H342 ' H11' ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 217' ' ' PCW . . . . . 1.019 H272 H282 ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 218' ' ' 17F . . . . . 1.063 ' H68' ' H11' ' A' ' 422' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 219' ' ' 17F . . . . . 1.006 ' H39' ' H47' ' C' ' 218' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 71.0 mt . . . . . 0 C--O 1.234 0.25 0 CA-C-O 120.883 0.373 . . . . 10.0 110.72 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 10.9 tttm -59.19 -43.77 92.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.761 -0.654 . . . . 10.0 110.716 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 91.2 mt -65.03 -34.95 79.66 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.003 -0.544 . . . . 10.0 111.416 -179.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 93.7 mt -71.53 -43.93 65.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.441 -0.345 . . . . 10.0 111.213 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -69.22 -45.03 70.86 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.326 -0.397 . . . . 10.0 110.924 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 206' ' ' ASN . . . . . 0.498 ' O ' HG23 ' A' ' 210' ' ' VAL . 3.2 m120 -59.27 -39.18 82.1 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 116.259 -0.428 . . . . 10.0 109.926 178.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 66.8 t90 -61.55 -40.4 94.56 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.733 -0.667 . . . . 10.0 109.846 179.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -61.93 -41.71 98.27 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.468 179.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 4.4 m -59.9 -40.59 89.27 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.003 179.022 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 210' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 206' ' ' ASN . 39.8 t -69.84 -41.34 79.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.971 -0.559 . . . . 10.0 109.893 179.043 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 24.7 m -57.25 -48.16 79.57 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.75 -0.659 . . . . 10.0 111.508 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 13.9 m -63.53 -39.91 95.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.378 -0.374 . . . . 10.0 110.6 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 34.4 m -63.0 -37.72 88.3 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.109 0.48 . . . . 10.0 109.989 179.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -64.54 -43.29 94.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.731 -0.668 . . . . 10.0 110.059 178.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 23.3 m -64.24 -45.95 85.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.048 -0.523 . . . . 10.0 110.103 179.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 47.6 mmtt -58.63 -44.63 90.07 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.181 0.515 . . . . 10.0 109.977 178.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 217' ' ' LEU . . . . . 0.436 HD21 ' HE1' ' D' ' 554' ' ' HIS . 28.3 mt -66.24 -36.34 82.75 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.69 -0.686 . . . . 10.0 111.207 179.574 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 218' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 218' ' ' ARG . 13.1 mtt85 -70.51 -38.01 74.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.589 -0.278 . . . . 10.0 110.908 179.666 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -64.74 -40.32 95.1 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.475 -0.565 . . . . 10.0 109.475 178.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -72.28 -28.76 63.32 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.435 -0.802 . . . . 10.0 109.441 178.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 2.0 mt -59.81 -31.01 69.31 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 116.143 -0.481 . . . . 10.0 111.024 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -56.04 -69.11 1.37 Allowed Glycine 0 C--N 1.33 0.213 0 N-CA-C 110.737 -0.945 . . . . 10.0 110.737 178.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_exo -55.85 -38.87 93.95 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.527 2.151 . . . . 10.0 110.737 177.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 8.7 t -55.46 -51.13 60.48 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-N 116.606 -0.27 . . . . 10.0 111.243 179.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . 0.454 ' O ' ' HB2' ' A' ' 229' ' ' TRP . 2.3 p -67.03 -34.32 77.46 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 110.235 -0.283 . . . . 10.0 110.235 179.382 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -64.86 -52.38 56.93 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.152 -0.477 . . . . 10.0 110.084 178.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 227' ' ' GLU . . . . . 0.485 ' HG2' ' HG2' ' D' ' 546' ' ' GLU . 1.1 mp0 -58.37 -48.54 80.27 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 123.546 0.529 . . . . 10.0 110.464 179.147 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -59.75 -49.78 76.37 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.062 -0.517 . . . . 10.0 111.392 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 229' ' ' TRP . . . . . 0.454 ' HB2' ' O ' ' A' ' 225' ' ' THR . 0.8 OUTLIER -65.02 -39.93 94.12 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.207 -0.451 . . . . 10.0 110.975 179.902 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -58.15 -44.72 88.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.209 0.528 . . . . 10.0 110.189 179.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 231' ' ' ASN . . . . . 0.734 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 69.4 m-20 -71.45 -36.99 71.43 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.823 -0.626 . . . . 10.0 109.94 178.761 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 34.8 mt -62.21 -34.48 76.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.869 -0.605 . . . . 10.0 110.019 178.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -61.63 -39.17 90.33 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-N 116.014 -0.539 . . . . 10.0 110.083 178.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 234' ' ' LYS . . . . . 0.734 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 43.2 mttt -67.9 -34.43 76.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.981 -0.554 . . . . 10.0 109.51 179.03 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -71.62 -48.35 48.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.476 -0.783 . . . . 10.0 110.332 178.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 11.8 p -64.49 -41.13 96.64 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 109.803 -0.443 . . . . 10.0 109.803 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -63.33 -45.11 92.8 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 109.345 -0.613 . . . . 10.0 109.345 178.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -59.96 -45.84 95.17 Favored Glycine 0 N--CA 1.444 -0.831 0 N-CA-C 110.851 -0.9 . . . . 10.0 110.851 178.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 73.0 mt -66.02 -31.06 71.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.441 0.162 . . . . 10.0 111.033 179.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 240' ' ' ARG . . . . . 0.523 ' O ' ' HB3' ' A' ' 243' ' ' MET . 62.2 mtt180 -70.59 -36.91 73.81 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 109.153 -0.684 . . . . 10.0 109.153 178.649 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -73.27 -38.63 65.87 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.826 -0.805 . . . . 10.0 108.826 178.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -70.04 -19.12 63.31 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 115.604 -0.725 . . . . 10.0 110.049 178.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 243' ' ' MET . . . . . 0.755 ' HG3' HD12 ' A' ' 247' ' ' LEU . 33.4 ttm -62.83 -32.68 73.94 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.813 -0.81 . . . . 10.0 108.813 178.55 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -76.02 2.45 12.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.337 -0.847 . . . . 10.0 110.386 179.539 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 44.3 mttm -124.56 -61.15 1.35 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.94 -0.573 . . . . 10.0 109.923 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 246' ' ' ASP . . . . . 0.574 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 0.6 OUTLIER -57.27 -58.19 9.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.054 -0.521 . . . . 10.0 111.717 -179.524 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 247' ' ' LEU . . . . . 0.755 HD12 ' HG3' ' A' ' 243' ' ' MET . 82.9 mt -75.84 -43.45 45.82 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.168 0.432 . . . . 10.0 112.168 -179.137 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -59.14 -51.26 70.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.409 -0.359 . . . . 10.0 111.77 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -68.61 -32.79 72.93 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.95 0.352 . . . . 10.0 111.95 -179.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 250' ' ' VAL . . . . . 0.511 HG12 ' O ' ' A' ' 247' ' ' LEU . 1.8 p -68.56 -29.49 44.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 120.291 -0.564 . . . . 10.0 110.269 179.102 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . 0.48 ' HA ' ' HB ' ' A' ' 254' ' ' VAL . 90.0 mttt -83.98 -41.4 17.33 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.209 0.528 . . . . 10.0 109.848 178.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -62.95 -39.45 94.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.342 0.591 . . . . 10.0 109.695 178.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -87.79 -3.81 58.92 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.683 -0.69 . . . . 10.0 110.635 179.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 254' ' ' VAL . . . . . 0.48 ' HB ' ' HA ' ' A' ' 251' ' ' LYS . 0.3 OUTLIER -67.5 -31.66 53.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 109.872 -0.418 . . . . 10.0 109.872 179.634 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 255' ' ' GLN . . . . . 0.421 ' HB2' ' CD ' ' A' ' 256' ' ' PRO . 36.4 mt-30 -65.06 -62.53 4.64 Favored Pre-proline 0 N--CA 1.45 -0.451 0 CA-C-N 115.823 -0.626 . . . . 10.0 111.521 179.739 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 256' ' ' PRO . . . . . 0.421 ' CD ' ' HB2' ' A' ' 255' ' ' GLN . 13.4 Cg_endo -57.62 -35.68 98.76 Favored 'Trans proline' 0 C--N 1.357 0.977 0 C-N-CA 121.948 1.765 . . . . 10.0 112.447 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 4.6 m-30 -68.95 -53.63 19.77 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.864 0.364 . . . . 10.0 110.719 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 43.7 mt -65.03 -43.73 91.44 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-N 116.523 -0.308 . . . . 10.0 110.896 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 259' ' ' ASP . . . . . 0.465 ' O ' ' HB2' ' A' ' 263' ' ' LYS . 4.2 t70 -57.55 -45.56 84.98 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 123.529 0.518 . . . . 10.0 111.265 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -64.22 -51.71 62.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.29 -0.414 . . . . 10.0 111.053 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -66.05 -36.9 84.47 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 115.914 -0.584 . . . . 10.0 112.182 -179.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -69.51 -39.38 77.61 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.98 -0.378 . . . . 10.0 109.98 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 263' ' ' LYS . . . . . 0.473 ' HB2' ' HE3' ' A' ' 263' ' ' LYS . 15.2 ttmt -63.01 -45.04 94.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.868 -0.605 . . . . 10.0 109.37 178.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 264' ' ' LYS . . . . . 0.64 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 77.7 mttt -68.62 -41.09 79.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.587 -0.733 . . . . 10.0 110.245 178.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 1.9 m95 -59.75 -38.46 81.82 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.343 -0.614 . . . . 10.0 109.343 178.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -62.61 -45.83 91.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.837 -0.619 . . . . 10.0 109.589 178.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -64.48 -41.63 96.36 Favored 'General case' 0 C--O 1.232 0.146 0 N-CA-C 109.471 -0.566 . . . . 10.0 109.471 178.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 268' ' ' GLU . . . . . 0.544 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 16.3 mt-10 -59.14 -45.43 90.97 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.747 -0.66 . . . . 10.0 110.276 178.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 79.8 mmm -68.41 -43.77 76.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.789 -0.641 . . . . 10.0 110.588 179.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -60.48 -50.21 74.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.735 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 81.0 mt -61.47 -35.94 79.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.04 0.448 . . . . 10.0 110.237 179.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 272' ' ' TYR . . . . . 0.447 ' HD1' ' HA ' ' A' ' 272' ' ' TYR . 0.2 OUTLIER -67.52 -37.67 83.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.198 178.734 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 273' ' ' ARG . . . . . 0.534 ' HA ' HG12 ' A' ' 276' ' ' VAL . 97.8 mtt180 -75.55 -31.71 60.16 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.357 -0.383 . . . . 10.0 111.025 179.026 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -71.91 -21.34 61.64 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.304 -0.628 . . . . 10.0 109.304 178.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 275' ' ' LYS . . . . . 0.713 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 7.4 mptt -96.89 -37.44 10.22 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 115.656 -0.702 . . . . 10.0 110.924 179.13 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 276' ' ' VAL . . . . . 0.534 HG12 ' HA ' ' A' ' 273' ' ' ARG . 4.1 p -55.53 -33.61 33.06 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.236 0 N-CA-C 112.733 0.642 . . . . 10.0 112.733 -178.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 83.1 mt-10 -65.12 -62.37 4.84 Favored Pre-proline 0 CA--C 1.535 0.378 0 N-CA-C 111.632 0.234 . . . . 10.0 111.632 179.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -62.42 -35.39 72.49 Favored 'Trans proline' 0 C--N 1.354 0.831 0 C-N-CA 121.557 1.505 . . . . 10.0 111.839 178.385 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 279' ' ' LEU . . . . . 0.724 HD22 ' HE3' ' D' ' 495' ' ' LYS . 17.1 mt -65.46 -44.81 86.04 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.624 0.249 . . . . 10.0 110.455 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 33.9 ttm180 -65.0 -35.88 82.62 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.541 -0.54 . . . . 10.0 109.541 179.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -64.0 -44.93 91.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.997 -0.547 . . . . 10.0 109.721 178.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -65.23 -43.0 92.87 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.606 -0.516 . . . . 10.0 109.606 178.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 37.4 mt -63.55 -40.81 97.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.664 -0.698 . . . . 10.0 110.533 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -63.68 -53.0 58.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.737 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -63.73 -40.96 98.03 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.99 0.424 . . . . 10.0 110.373 179.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -63.49 -43.0 98.8 Favored Glycine 0 N--CA 1.446 -0.699 0 N-CA-C 110.71 -0.956 . . . . 10.0 110.71 178.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -64.67 -47.11 79.65 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.792 -0.447 . . . . 10.0 109.792 179.06 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 61.6 mtt180 -52.32 -47.04 66.22 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.941 179.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 5.1 tm0? -60.24 -51.0 71.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.852 179.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 42.1 mttt -67.15 -34.79 78.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.808 -0.633 . . . . 10.0 111.681 -178.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 80.6 mt -68.63 -43.07 77.1 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.013 -0.366 . . . . 10.0 110.013 179.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -66.8 -36.33 82.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.014 -0.539 . . . . 10.0 109.727 178.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.73 -39.41 94.0 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 109.063 -0.717 . . . . 10.0 109.063 178.29 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 63.3 mt -67.76 -43.28 80.22 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-N 115.705 -0.68 . . . . 10.0 110.275 179.07 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -61.56 -39.93 92.9 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.976 0.417 . . . . 10.0 110.477 179.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -64.12 -9.3 15.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.416 -0.811 . . . . 10.0 112.105 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . 0.554 ' O ' ' HB2' ' A' ' 301' ' ' LEU . 17.1 mmtp -116.94 -26.92 6.72 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.884 0.373 . . . . 10.0 109.999 178.365 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 298' ' ' LEU . . . . . 0.488 ' O ' ' HA3' ' A' ' 302' ' ' GLY . 28.4 mt -72.13 -30.87 65.47 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.175 -0.466 . . . . 10.0 111.557 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 299' ' ' SER . . . . . 0.442 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 6.6 m -77.67 -63.97 0.44 Allowed Pre-proline 0 C--N 1.323 -0.554 0 N-CA-C 112.68 0.622 . . . . 10.0 112.68 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 300' ' ' PRO . . . . . 0.442 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 18.9 Cg_endo -61.58 -51.99 3.57 Favored 'Trans proline' 0 C--N 1.356 0.939 0 C-N-CA 122.122 1.881 . . . . 10.0 112.425 -179.387 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 301' ' ' LEU . . . . . 0.722 ' HB3' ' HE3' ' D' ' 473' ' ' LYS . 81.1 mt -71.9 -20.77 61.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.944 0.402 . . . . 10.0 110.241 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 302' ' ' GLY . . . . . 0.488 ' HA3' ' O ' ' A' ' 298' ' ' LEU . . . -73.28 -53.02 8.0 Favored Glycine 0 N--CA 1.449 -0.462 0 N-CA-C 110.627 -0.989 . . . . 10.0 110.627 179.096 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 303' ' ' GLU . . . . . 0.466 ' HA ' ' HD2' ' A' ' 306' ' ' ARG . 2.7 mt-10 -64.03 -38.51 91.34 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.784 -0.45 . . . . 10.0 109.784 179.186 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.53 -44.14 95.09 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.452 -0.573 . . . . 10.0 109.452 178.405 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 305' ' ' MET . . . . . 0.427 ' SD ' HD13 ' D' ' 469' ' ' LEU . 9.9 tpt -64.56 -37.63 88.2 Favored 'General case' 0 C--O 1.226 -0.163 0 N-CA-C 109.23 -0.656 . . . . 10.0 109.23 178.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 306' ' ' ARG . . . . . 0.466 ' HD2' ' HA ' ' A' ' 303' ' ' GLU . 80.2 mtt180 -63.92 -41.4 97.66 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.971 -0.559 . . . . 10.0 109.56 178.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 307' ' ' ASP . . . . . 0.515 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 32.0 t70 -68.9 -36.92 78.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.942 -0.572 . . . . 10.0 109.901 179.235 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 308' ' ' ARG . . . . . 0.436 ' HG3' HD21 ' D' ' 469' ' ' LEU . 25.2 mmt180 -68.33 -33.79 74.94 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.013 -0.736 . . . . 10.0 109.013 177.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -64.99 -37.91 89.21 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.306 -0.998 . . . . 10.0 108.306 177.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 310' ' ' ARG . . . . . 0.515 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 79.0 mtt180 -60.83 -42.08 97.02 Favored 'General case' 0 C--O 1.223 -0.309 0 N-CA-C 108.55 -0.907 . . . . 10.0 108.55 177.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -67.53 -39.37 85.04 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.778 -0.646 . . . . 10.0 109.9 178.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -59.74 -52.32 66.0 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 108.983 -0.747 . . . . 10.0 108.983 178.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 91.0 t -67.2 -37.37 79.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.397 -0.82 . . . . 10.0 111.13 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -60.17 -45.4 93.21 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-O 120.937 0.398 . . . . 10.0 110.094 179.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -63.5 -39.77 95.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.864 -0.607 . . . . 10.0 109.738 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 74.8 mt -65.47 -51.03 63.0 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 115.715 -0.675 . . . . 10.0 110.069 178.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 19.1 ttm180 -57.72 -49.41 76.63 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.005 -0.543 . . . . 10.0 111.077 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 16.7 m -64.4 -31.21 72.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.225 -0.443 . . . . 10.0 111.652 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 319' ' ' HIS . . . . . 0.426 ' O ' ' HD2' ' A' ' 322' ' ' PRO . 0.4 OUTLIER -83.08 -41.36 18.69 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.957 -0.297 . . . . 10.0 111.44 179.793 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . 0.484 ' HA ' ' HB2' ' A' ' 323' ' ' TYR . 85.3 mt -71.7 -18.27 62.17 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.607 -0.27 . . . . 10.0 111.572 -179.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 321' ' ' ALA . . . . . 0.495 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -55.85 -58.87 13.54 Favored Pre-proline 0 CA--C 1.538 0.489 0 N-CA-C 112.017 0.376 . . . . 10.0 112.017 179.758 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . 0.495 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 59.8 Cg_endo -76.34 -27.72 7.67 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 121.499 1.466 . . . . 10.0 110.869 178.218 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 323' ' ' TYR . . . . . 0.484 ' HB2' ' HA ' ' A' ' 320' ' ' LEU . 10.5 m-30 -63.12 -42.16 99.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.18 -0.464 . . . . 10.0 111.674 -179.663 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 324' ' ' SER . . . . . 0.497 ' O ' ' HG3' ' A' ' 328' ' ' ARG . 5.7 p -64.59 -38.08 89.79 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.039 -0.356 . . . . 10.0 110.039 179.572 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -67.17 -46.53 73.71 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 115.838 -0.619 . . . . 10.0 109.399 178.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.8 -34.9 76.73 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.013 178.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 22.8 mt -65.54 -37.47 86.82 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.36 -0.607 . . . . 10.0 109.36 177.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 328' ' ' ARG . . . . . 0.497 ' HG3' ' O ' ' A' ' 324' ' ' SER . 66.1 mtt180 -65.83 -38.12 88.04 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 108.856 -0.794 . . . . 10.0 108.856 178.092 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -63.26 -42.28 99.14 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 108.933 -0.766 . . . . 10.0 108.933 178.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 330' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 330' ' ' ARG . 50.1 mtt-85 -64.23 -49.11 73.25 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-N 115.575 -0.738 . . . . 10.0 109.714 178.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 72.3 mt -58.18 -44.39 87.98 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.758 -0.655 . . . . 10.0 110.312 179.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -60.69 -50.19 74.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.482 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -60.99 -42.93 99.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.686 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 72.5 mtt-85 -65.63 -48.39 72.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.192 -0.458 . . . . 10.0 111.086 179.388 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 49.7 mt -61.65 -39.98 93.26 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.288 -0.414 . . . . 10.0 110.921 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -67.95 -44.56 76.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.567 -0.288 . . . . 10.0 110.828 179.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -63.64 -46.98 83.2 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.905 -0.406 . . . . 10.0 109.905 179.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 75.2 mt -69.64 -16.38 63.36 Favored 'General case' 0 C--O 1.225 -0.235 0 CA-C-N 115.93 -0.577 . . . . 10.0 111.806 179.427 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 13.4 tttt -75.99 -45.1 36.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.276 0.56 . . . . 10.0 109.726 178.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -71.46 -44.58 64.51 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.551 -0.907 . . . . 10.0 108.551 178.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 341' ' ' ASN . . . . . 0.449 ' O ' ' HG3' ' A' ' 345' ' ' ARG . 18.4 t-20 -62.75 -52.01 64.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 114.935 -1.03 . . . . 10.0 109.705 179.301 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -62.45 -40.02 98.55 Favored Glycine 0 N--CA 1.449 -0.474 0 CA-C-N 115.795 -0.639 . . . . 10.0 111.886 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -61.53 -39.7 97.7 Favored Glycine 0 N--CA 1.453 -0.212 0 N-CA-C 111.003 -0.839 . . . . 10.0 111.003 179.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -70.63 -41.37 72.28 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.486 -0.561 . . . . 10.0 109.486 178.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 345' ' ' ARG . . . . . 0.449 ' HG3' ' O ' ' A' ' 341' ' ' ASN . 52.5 mtm180 -62.42 -41.18 98.5 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.611 -0.722 . . . . 10.0 110.223 179.193 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 80.5 mt -63.15 -43.39 98.45 Favored 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 109.872 -0.418 . . . . 10.0 109.872 178.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.15 -40.89 91.41 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 109.372 -0.603 . . . . 10.0 109.372 178.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 348' ' ' GLU . . . . . 0.45 ' HB3' ' HE2' ' A' ' 352' ' ' LYS . 15.8 mt-10 -69.61 -41.55 75.55 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.588 -0.733 . . . . 10.0 109.919 178.412 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -59.76 -40.76 89.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.403 179.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 28.8 m-70 -64.25 -41.23 97.05 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.676 -0.49 . . . . 10.0 109.676 178.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -65.16 -47.15 78.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.741 -0.663 . . . . 10.0 109.857 178.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 352' ' ' LYS . . . . . 0.45 ' HE2' ' HB3' ' A' ' 348' ' ' GLU . 24.8 mttm -61.15 -42.4 98.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.952 -0.567 . . . . 10.0 109.951 178.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.38 -39.16 82.44 Favored 'General case' 0 C--O 1.224 -0.282 0 N-CA-C 109.493 -0.558 . . . . 10.0 109.493 178.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 27.3 m -63.97 -43.2 96.49 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.962 -0.563 . . . . 10.0 109.981 178.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -65.89 -38.88 89.91 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.004 0.43 . . . . 10.0 110.345 178.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 36.4 m-70 -68.69 -28.68 67.07 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.849 -0.614 . . . . 10.0 109.906 178.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 40.0 mt -77.04 -43.93 32.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.96 -0.564 . . . . 10.0 111.285 179.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -61.48 -37.89 85.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.027 0.441 . . . . 10.0 110.428 179.672 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 4.0 p -77.24 -28.04 53.53 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.175 0.512 . . . . 10.0 110.048 178.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 60.3 tp -69.35 -31.37 69.75 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.733 -0.667 . . . . 10.0 109.202 178.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 32.8 m -61.22 -32.18 71.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.031 178.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 362' ' ' GLU . . . . . 0.506 ' HA ' ' HD2' ' A' ' 366' ' ' PRO . 28.0 mm-40 -69.36 -25.74 64.33 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.75 -0.659 . . . . 10.0 109.97 178.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 363' ' ' LYS . . . . . 0.746 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 88.2 mttt -86.69 -40.54 14.98 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.064 -0.516 . . . . 10.0 109.624 178.608 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -70.93 -27.99 64.18 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.684 -0.689 . . . . 10.0 112.607 -178.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 365' ' ' LYS . . . . . 1.051 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 21.7 mttt -110.78 -78.53 0.01 OUTLIER Pre-proline 0 CA--C 1.54 0.572 0 N-CA-C 113.223 0.823 . . . . 10.0 113.223 -179.573 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 366' ' ' PRO . . . . . 1.051 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 52.3 Cg_exo -55.92 -54.14 4.52 Favored 'Trans proline' 0 C--N 1.36 1.16 0 C-N-CA 122.525 2.15 . . . . 10.0 113.512 -178.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 367' ' ' ALA . . . . . 0.746 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -60.63 -52.19 66.2 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.44 0.162 . . . . 10.0 111.231 -179.715 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 2.5 mt -59.3 -36.39 75.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.385 -0.37 . . . . 10.0 111.412 179.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -69.7 -43.42 72.46 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.303 -0.258 . . . . 10.0 110.303 179.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -62.46 -40.92 98.18 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 108.854 -0.795 . . . . 10.0 108.854 178.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 371' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 367' ' ' ALA . 95.9 mt -65.62 -46.58 78.72 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-N 115.42 -0.809 . . . . 10.0 109.92 178.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 372' ' ' ARG . . . . . 0.599 ' O ' ' HG ' ' A' ' 376' ' ' LEU . 43.6 mtt180 -61.65 -49.37 76.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.762 179.478 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -64.81 -25.51 67.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.038 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -85.71 -32.76 17.72 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.869 -0.682 . . . . 10.0 111.433 179.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 60.6 mt -74.81 -28.42 60.7 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 122.034 0.134 . . . . 10.0 111.154 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 376' ' ' LEU . . . . . 0.599 ' HG ' ' O ' ' A' ' 372' ' ' ARG . 90.0 mt -50.85 -59.95 6.48 Favored Pre-proline 0 CA--C 1.535 0.388 0 O-C-N 123.178 0.299 . . . . 10.0 111.727 179.44 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -64.78 -25.71 60.62 Favored 'Trans proline' 0 C--N 1.359 1.116 0 C-N-CA 121.909 1.739 . . . . 10.0 111.433 179.022 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 41.6 t -68.32 -42.16 84.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 N-CA-C 109.229 -0.656 . . . . 10.0 109.229 178.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 94.8 mt -66.85 -34.9 78.81 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.993 -0.548 . . . . 10.0 109.65 178.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 380' ' ' GLU . . . . . 0.468 ' HG3' ' O ' ' A' ' 376' ' ' LEU . 7.6 mt-10 -69.07 -46.47 67.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.593 179.032 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 2.4 p -64.85 -36.06 83.12 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.387 -0.597 . . . . 10.0 109.387 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 382' ' ' PHE . . . . . 0.41 ' O ' ' HD1' ' A' ' 386' ' ' PHE . 0.6 OUTLIER -64.92 -37.19 86.8 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 115.674 -0.694 . . . . 10.0 109.981 178.261 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -58.27 -42.44 86.53 Favored 'General case' 0 C--O 1.231 0.122 0 N-CA-C 109.462 -0.569 . . . . 10.0 109.462 178.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 47.6 t -63.24 -38.43 82.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.746 -0.661 . . . . 10.0 109.854 178.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 5.9 m -70.15 -42.69 72.21 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.844 179.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 386' ' ' PHE . . . . . 0.735 ' HZ ' ' H76' ' A' ' 415' ' ' 17F . 20.2 m-85 -66.27 -48.01 71.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.787 -179.583 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 92.6 mt -59.47 -43.38 93.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.344 -0.389 . . . . 10.0 111.328 -179.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 388' ' ' SER . . . . . 0.831 ' HB2' ' HE3' ' D' ' 594' ' ' LYS . 15.0 p -68.84 -41.46 78.47 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 116.578 -0.283 . . . . 10.0 110.768 179.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -61.11 -44.84 96.73 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.45 -0.341 . . . . 10.0 110.85 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 82.2 mt -62.31 -38.35 89.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.127 179.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -65.76 -41.37 92.18 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.723 -0.671 . . . . 10.0 109.855 178.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 392' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' A' ' 388' ' ' SER . 62.8 mm-40 -56.72 -47.0 80.95 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.132 0.491 . . . . 10.0 109.935 178.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -60.63 -47.5 85.95 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.604 -0.725 . . . . 10.0 110.642 179.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . 0.547 ' O ' ' HB3' ' A' ' 398' ' ' ASN . 3.6 m -68.85 -21.4 64.28 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.805 -0.634 . . . . 10.0 112.285 -178.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -88.52 -38.29 15.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 122.213 -0.304 . . . . 10.0 111.563 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 396' ' ' LYS . . . . . 0.739 ' HE2' ' HA ' ' D' ' 587' ' ' ALA . 13.9 mptt -90.74 -32.3 16.2 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 113.546 0.943 . . . . 10.0 113.546 -178.092 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 85.7 mt -110.1 43.46 1.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.511 0.56 . . . . 10.0 112.511 -178.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 398' ' ' ASN . . . . . 0.547 ' HB3' ' O ' ' A' ' 394' ' ' THR . 49.6 t30 . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 116.575 -0.284 . . . . 10.0 110.698 179.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 399' ' ' LEU . . . . . 0.44 HD13 ' HA ' ' D' ' 399' ' ' LEU . 3.4 mm? . . . . . 0 N--CA 1.455 -0.18 0 CA-C-O 121.256 0.55 . . . . 10.0 110.333 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.07 22.28 16.23 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.587 -0.733 . . . . 10.0 109.831 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 59.7 mt -66.57 -17.28 64.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.655 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 72.9 mt -69.95 -30.7 68.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.824 -0.625 . . . . 10.0 109.54 178.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 403' ' ' ASP . . . . . 0.498 ' O ' ' HB3' ' D' ' 406' ' ' ASP . 58.1 m-20 -81.31 -41.88 21.45 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.693 -0.685 . . . . 10.0 109.562 179.252 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -63.22 -45.62 90.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.527 -0.76 . . . . 10.0 110.043 179.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -67.04 -28.19 68.02 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.149 0.5 . . . . 10.0 110.057 179.037 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 406' ' ' ASP . . . . . 0.498 ' HB3' ' O ' ' D' ' 403' ' ' ASP . 1.6 t70 -61.19 -44.34 97.45 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.788 -0.642 . . . . 10.0 109.356 178.468 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 1.3 m -62.9 -37.09 85.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.723 -0.671 . . . . 10.0 109.667 179.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 52.7 t -65.92 -34.49 70.63 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-N 115.442 -0.799 . . . . 10.0 109.331 178.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 17.7 m -68.41 -42.79 78.47 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.643 -0.708 . . . . 10.0 109.563 178.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 1.6 m -63.12 -44.79 94.66 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.008 -0.542 . . . . 10.0 110.34 179.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 411' ' ' THR . . . . . 0.617 ' O ' ' HG ' ' D' ' 415' ' ' LEU . 0.8 OUTLIER -64.48 -37.42 87.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.766 179.411 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -58.93 -46.79 87.11 Favored 'General case' 0 C--O 1.232 0.159 0 N-CA-C 109.682 -0.488 . . . . 10.0 109.682 178.11 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 8.0 m -65.52 -37.81 87.85 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.812 -0.631 . . . . 10.0 109.578 178.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 414' ' ' LYS . . . . . 0.479 ' HE3' ' HG3' ' A' ' 362' ' ' GLU . 29.6 mmtt -62.41 -37.44 85.84 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-O 121.233 0.539 . . . . 10.0 110.056 178.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 415' ' ' LEU . . . . . 0.617 ' HG ' ' O ' ' D' ' 411' ' ' THR . 92.7 mt -67.54 -37.25 82.45 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 109.232 -0.655 . . . . 10.0 109.232 178.684 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -68.44 -34.45 76.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.104 178.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -66.2 -22.35 66.34 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 115.779 -0.646 . . . . 10.0 109.815 178.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -90.94 -57.02 2.95 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.345 -0.843 . . . . 10.0 108.736 178.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 36.7 mt -43.5 -52.6 6.04 Favored 'General case' 0 C--O 1.222 -0.344 0 O-C-N 123.819 0.699 . . . . 10.0 112.611 -179.385 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -50.63 -78.05 0.11 Allowed Glycine 0 CA--C 1.524 0.607 0 C-N-CA 121.275 -0.488 . . . . 10.0 113.015 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -54.4 -40.18 84.2 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 123.134 2.556 . . . . 10.0 112.895 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 41.3 t -62.68 -49.39 83.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 112.405 0.52 . . . . 10.0 112.405 -179.146 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 26.0 p -61.94 -31.62 71.97 Favored 'General case' 0 C--N 1.333 -0.124 0 C-N-CA 120.581 -0.448 . . . . 10.0 111.237 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -59.43 -56.45 21.9 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.896 0.379 . . . . 10.0 110.217 179.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -74.08 -29.42 61.87 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.2 -0.455 . . . . 10.0 111.537 179.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 426' ' ' PHE . . . . . 0.482 ' O ' ' HG ' ' D' ' 430' ' ' LEU . 60.2 t80 -63.96 -41.13 97.66 Favored 'General case' 0 CA--C 1.52 -0.195 0 N-CA-C 109.371 -0.603 . . . . 10.0 109.371 178.763 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 427' ' ' TRP . . . . . 0.423 ' HA ' HD12 ' D' ' 430' ' ' LEU . 5.8 m95 -68.12 -37.44 81.12 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.843 -0.617 . . . . 10.0 109.614 178.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 428' ' ' ASP . . . . . 0.425 ' O ' ' HG3' ' D' ' 432' ' ' LYS . 27.8 t70 -67.57 -33.56 75.28 Favored 'General case' 0 C--N 1.334 -0.097 0 N-CA-C 108.744 -0.836 . . . . 10.0 108.744 177.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -64.26 -40.38 95.88 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.116 -1.068 . . . . 10.0 108.116 177.211 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 430' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' D' ' 426' ' ' PHE . 94.4 mt -62.73 -36.39 82.84 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.454 -0.794 . . . . 10.0 108.956 178.418 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -65.28 -40.94 94.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.002 -0.545 . . . . 10.0 109.808 178.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 432' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' D' ' 428' ' ' ASP . 57.2 mttp -63.31 -45.58 90.69 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.833 -0.803 . . . . 10.0 108.833 178.541 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 433' ' ' GLU . . . . . 0.493 ' O ' ' HG ' ' D' ' 437' ' ' LEU . 74.2 mt-10 -63.91 -51.2 65.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.547 -0.752 . . . . 10.0 111.716 179.447 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 434' ' ' THR . . . . . 0.41 ' HB ' ' CZ ' ' D' ' 438' ' ' ARG . 2.8 p -57.17 -47.69 80.59 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.659 0.244 . . . . 10.0 111.659 -179.437 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -64.83 -43.44 93.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.714 0.292 . . . . 10.0 110.9 179.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -62.72 -50.6 62.61 Favored Glycine 0 N--CA 1.45 -0.389 0 N-CA-C 111.031 -0.828 . . . . 10.0 111.031 179.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 437' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' D' ' 433' ' ' GLU . 89.6 mt -61.43 -30.42 70.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.788 0.328 . . . . 10.0 110.427 179.262 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 438' ' ' ARG . . . . . 0.41 ' CZ ' ' HB ' ' D' ' 434' ' ' THR . 24.9 mtt180 -67.2 -40.29 86.45 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-N 116.339 -0.391 . . . . 10.0 110.278 178.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -63.03 -39.23 94.14 Favored 'General case' 0 CA--C 1.522 -0.13 0 N-CA-C 109.31 -0.626 . . . . 10.0 109.31 178.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 440' ' ' GLU . . . . . 0.566 ' O ' ' HB2' ' D' ' 444' ' ' ASP . 50.3 mt-10 -71.43 -42.03 68.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.349 -0.841 . . . . 10.0 110.568 179.039 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 34.6 mmm -72.05 -38.88 69.41 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 113.385 0.883 . . . . 10.0 113.385 -179.052 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 9.4 p -63.01 -46.28 88.38 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.924 0.393 . . . . 10.0 109.954 179.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.2 -24.75 63.17 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.925 -0.58 . . . . 10.0 109.915 178.719 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 444' ' ' ASP . . . . . 0.566 ' HB2' ' O ' ' D' ' 440' ' ' GLU . 5.3 t70 -75.94 -58.63 3.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.58 179.74 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 445' ' ' LEU . . . . . 0.49 ' HA ' ' HB ' ' D' ' 448' ' ' VAL . 75.7 mt -63.26 -43.24 98.53 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 112.838 0.681 . . . . 10.0 112.838 -178.501 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -61.25 -40.77 95.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.072 0.463 . . . . 10.0 110.919 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 447' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -77.09 -24.55 51.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.635 -0.711 . . . . 10.0 109.582 178.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 448' ' ' VAL . . . . . 0.49 ' HB ' ' HA ' ' D' ' 445' ' ' LEU . 1.4 t -67.04 -36.0 75.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 N-CA-C 109.238 -0.653 . . . . 10.0 109.238 178.35 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.01 -26.79 69.02 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.429 -0.952 . . . . 10.0 108.429 177.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -100.01 20.6 14.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.204 -0.907 . . . . 10.0 109.804 178.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 451' ' ' LYS . . . . . 0.474 ' HE3' ' CD1' ' A' ' 323' ' ' TYR . 32.5 mmtm -128.03 -49.92 1.33 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.723 -0.671 . . . . 10.0 110.058 179.581 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 452' ' ' VAL . . . . . 0.444 HG23 HG13 ' D' ' 448' ' ' VAL . 61.8 t -64.49 -42.78 96.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.014 -0.539 . . . . 10.0 111.028 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -60.63 -57.63 25.13 Favored Pre-proline 0 CA--C 1.537 0.459 0 N-CA-C 112.567 0.58 . . . . 10.0 112.567 -179.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -63.06 -34.51 69.72 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 121.898 1.732 . . . . 10.0 111.638 179.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -70.03 -36.51 75.11 Favored 'General case' 0 C--O 1.224 -0.25 0 N-CA-C 109.978 -0.379 . . . . 10.0 109.978 178.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 2.0 mt -63.17 -43.18 98.97 Favored 'General case' 0 C--O 1.221 -0.427 0 N-CA-C 109.182 -0.673 . . . . 10.0 109.182 178.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -64.81 -43.81 91.92 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.286 -0.635 . . . . 10.0 109.286 178.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 458' ' ' ASP . . . . . 0.407 ' HB2' ' CE1' ' A' ' 319' ' ' HIS . 16.4 t70 -61.07 -45.55 94.29 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 115.372 -0.831 . . . . 10.0 110.618 179.37 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 459' ' ' PHE . . . . . 0.469 ' HD2' ' HA ' ' D' ' 459' ' ' PHE . 0.0 OUTLIER -69.05 -44.74 72.03 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.564 -0.743 . . . . 10.0 110.311 179.362 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -58.94 -39.27 81.11 Favored 'General case' 0 C--O 1.224 -0.237 0 CA-C-N 116.484 -0.325 . . . . 10.0 110.426 179.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 461' ' ' LYS . . . . . 0.439 ' O ' ' HG3' ' D' ' 465' ' ' GLU . 64.4 mttt -61.99 -44.65 96.28 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 110.028 -0.36 . . . . 10.0 110.028 178.617 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 21.6 mtmm -68.15 -36.99 80.55 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.573 -0.529 . . . . 10.0 109.573 179.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 463' ' ' TRP . . . . . 0.687 ' CD1' ' H71' ' D' ' 629' ' ' 17F . 35.6 m0 -64.06 -40.86 97.2 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 108.727 -0.842 . . . . 10.0 108.727 177.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -61.32 -48.44 81.35 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-N 115.476 -0.784 . . . . 10.0 109.027 178.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 465' ' ' GLU . . . . . 0.663 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 48.1 mt-10 -55.87 -57.03 13.78 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.47 -0.787 . . . . 10.0 109.481 179.042 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.22 -44.8 79.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.278 -0.419 . . . . 10.0 111.474 -179.632 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 61.1 mtm -62.97 -46.61 86.91 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.687 -0.233 . . . . 10.0 111.181 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -64.73 -37.46 87.67 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-O 121.02 0.438 . . . . 10.0 110.175 178.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 469' ' ' LEU . . . . . 0.663 ' HG ' ' O ' ' D' ' 465' ' ' GLU . 87.3 mt -64.48 -39.65 94.21 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 115.685 -0.689 . . . . 10.0 109.176 178.413 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 13.2 m-30 -65.51 -34.09 77.45 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 109.517 -0.549 . . . . 10.0 109.517 178.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 471' ' ' ARG . . . . . 0.967 ' HA ' ' HG3' ' D' ' 475' ' ' GLU . 75.7 mtt180 -69.76 -19.02 63.54 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.495 178.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -108.31 -1.6 19.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.968 -0.56 . . . . 10.0 110.666 179.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 473' ' ' LYS . . . . . 0.722 ' HE3' ' HB3' ' A' ' 301' ' ' LEU . 60.4 mttp -123.46 -70.98 0.74 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.403 -0.362 . . . . 10.0 110.785 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 474' ' ' VAL . . . . . 0.512 ' O ' ' HB2' ' D' ' 478' ' ' ARG . 60.8 t -57.23 -39.67 68.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.508 -0.314 . . . . 10.0 111.753 -179.579 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 475' ' ' GLU . . . . . 0.967 ' HG3' ' HA ' ' D' ' 471' ' ' ARG . 2.0 mm-40 -61.64 -60.23 11.0 Favored Pre-proline 0 CA--C 1.536 0.434 0 N-CA-C 112.798 0.666 . . . . 10.0 112.798 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -65.21 -36.45 36.43 Favored 'Trans proline' 0 C--N 1.355 0.878 0 C-N-CA 121.654 1.57 . . . . 10.0 111.547 178.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 29.6 mt -66.83 -28.45 68.37 Favored 'General case' 0 C--O 1.223 -0.303 0 CA-C-O 120.696 0.284 . . . . 10.0 110.253 178.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 478' ' ' ARG . . . . . 0.512 ' HB2' ' O ' ' D' ' 474' ' ' VAL . 11.5 ttt180 -62.52 -40.21 96.01 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.521 -0.918 . . . . 10.0 108.521 178.504 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 479' ' ' ALA . . . . . 0.441 ' HA ' ' OE1' ' D' ' 482' ' ' GLN . . . -71.66 -37.8 70.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.304 -0.862 . . . . 10.0 109.674 178.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.27 -42.94 92.71 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.371 -0.603 . . . . 10.0 109.371 179.042 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 55.7 mt -70.98 -27.5 63.75 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.592 -0.731 . . . . 10.0 109.76 178.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 482' ' ' GLN . . . . . 0.441 ' OE1' ' HA ' ' D' ' 479' ' ' ALA . 37.4 mt-30 -68.79 -47.09 67.0 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 108.725 -0.843 . . . . 10.0 108.725 177.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.6 -40.8 93.06 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.14 -0.689 . . . . 10.0 109.14 178.433 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -63.44 -38.85 97.01 Favored Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 110.571 -1.012 . . . . 10.0 110.571 178.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -68.05 -45.27 74.34 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 109.557 -0.534 . . . . 10.0 109.557 178.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 60.3 mtt85 -59.95 -42.25 93.65 Favored 'General case' 0 CA--C 1.515 -0.375 0 N-CA-C 109.829 -0.434 . . . . 10.0 109.829 178.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -46.54 88.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.711 -0.677 . . . . 10.0 109.345 178.243 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 16.1 tptm -63.04 -41.03 99.41 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.796 -0.638 . . . . 10.0 109.942 179.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 70.4 mt -64.91 -39.67 93.89 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.025 179.097 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 42.8 t60 -64.77 -45.65 85.47 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.99 -0.744 . . . . 10.0 108.99 178.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 -56.23 -42.2 76.93 Favored 'General case' 0 N--CA 1.457 -0.123 0 N-CA-C 108.45 -0.944 . . . . 10.0 108.45 178.054 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 50.4 mt -67.12 -42.64 84.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.281 -0.872 . . . . 10.0 110.961 179.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -57.55 -44.25 85.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.013 0.435 . . . . 10.0 110.87 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -73.24 7.95 1.94 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.855 -0.611 . . . . 10.0 111.712 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 495' ' ' LYS . . . . . 0.724 ' HE3' HD22 ' A' ' 279' ' ' LEU . 24.7 mttp -125.21 -44.33 1.89 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.144 0.497 . . . . 10.0 109.748 178.624 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 496' ' ' LEU . . . . . 0.559 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 95.4 mt -62.57 -26.49 68.61 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.677 -0.692 . . . . 10.0 111.834 -179.692 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 497' ' ' SER . . . . . 0.455 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 6.5 m -83.46 -62.59 0.28 Allowed Pre-proline 0 C--N 1.321 -0.658 0 C-N-CA 120.751 -0.379 . . . . 10.0 111.953 179.082 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 498' ' ' PRO . . . . . 0.455 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 21.7 Cg_endo -63.07 -48.65 6.07 Favored 'Trans proline' 0 C--N 1.358 1.054 0 C-N-CA 121.783 1.655 . . . . 10.0 112.116 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 499' ' ' LEU . . . . . 0.552 ' HB2' ' O ' ' D' ' 495' ' ' LYS . 42.7 mt -76.19 -27.02 56.73 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.853 0.359 . . . . 10.0 110.234 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 500' ' ' GLY . . . . . 0.559 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -67.19 -50.64 44.04 Favored Glycine 0 N--CA 1.446 -0.653 0 N-CA-C 110.083 -1.207 . . . . 10.0 110.083 178.492 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -66.6 -28.51 68.56 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 109.351 -0.611 . . . . 10.0 109.351 178.388 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 502' ' ' GLU . . . . . 0.418 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 30.6 tt0 -69.04 -45.54 70.19 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 109.235 -0.654 . . . . 10.0 109.235 178.451 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 503' ' ' MET . . . . . 0.51 ' HA ' ' HD2' ' D' ' 506' ' ' ARG . 83.8 mmm -61.05 -38.47 86.28 Favored 'General case' 0 CA--C 1.519 -0.228 0 N-CA-C 109.853 -0.425 . . . . 10.0 109.853 179.07 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 504' ' ' ARG . . . . . 0.408 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 92.5 mtt180 -69.05 -37.27 78.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.77 -0.65 . . . . 10.0 109.844 178.686 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -69.85 -36.19 75.34 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 109.462 -0.57 . . . . 10.0 109.462 178.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 506' ' ' ARG . . . . . 0.544 ' HD3' ' OE1' ' A' ' 268' ' ' GLU . 47.7 mtt180 -64.35 -41.69 96.62 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 107.327 -1.36 . . . . 10.0 107.327 177.019 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -60.5 -38.75 85.35 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.064 -0.971 . . . . 10.0 109.403 178.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 508' ' ' ARG . . . . . 0.408 ' HG3' ' O ' ' D' ' 504' ' ' ARG . 62.3 mtt180 -60.6 -47.61 85.44 Favored 'General case' 0 C--O 1.22 -0.457 0 N-CA-C 109.011 -0.737 . . . . 10.0 109.011 178.283 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 509' ' ' ALA . . . . . 0.64 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -65.78 -32.94 74.76 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.085 179.645 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 510' ' ' HIS . . . . . 0.421 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 4.1 m-70 -69.19 -55.53 10.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.939 -0.573 . . . . 10.0 109.601 178.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 511' ' ' VAL . . . . . 0.494 ' O ' ' HG3' ' D' ' 515' ' ' ARG . 58.3 t -64.31 -39.47 85.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.745 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -56.93 -43.99 82.02 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 109.477 -0.564 . . . . 10.0 109.477 178.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -61.64 -48.71 79.64 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.384 -0.826 . . . . 10.0 108.948 178.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 514' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' D' ' 510' ' ' HIS . 91.8 mt -58.43 -33.57 69.84 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.578 -0.737 . . . . 10.0 111.206 179.49 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 515' ' ' ARG . . . . . 0.494 ' HG3' ' O ' ' D' ' 511' ' ' VAL . 28.3 mtt180 -63.81 -28.37 69.81 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.82 0.343 . . . . 10.0 110.157 178.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.25 6.94 22.94 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.834 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 517' ' ' HIS . . . . . 0.402 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 32.6 m170 -117.72 -56.66 2.18 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.271 -0.422 . . . . 10.0 111.001 -179.585 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 79.8 mt -73.93 -51.68 15.3 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.121 -0.491 . . . . 10.0 111.624 -179.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 519' ' ' ALA . . . . . 0.68 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -50.46 -57.37 13.31 Favored Pre-proline 0 N--CA 1.466 0.344 0 N-CA-C 112.958 0.725 . . . . 10.0 112.958 -179.21 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 520' ' ' PRO . . . . . 0.68 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 43.0 Cg_exo -60.82 -41.21 47.61 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 121.988 1.792 . . . . 10.0 111.312 179.037 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -64.6 -42.76 95.35 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.297 -0.41 . . . . 10.0 111.492 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 522' ' ' SER . . . . . 0.413 ' HA ' HD12 ' D' ' 525' ' ' LEU . 7.3 p -63.98 -28.82 70.07 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.829 0.347 . . . . 10.0 110.82 179.327 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -70.21 -41.9 73.03 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 108.821 -0.807 . . . . 10.0 108.821 178.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -71.1 -31.43 67.78 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.243 -0.89 . . . . 10.0 109.132 178.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 525' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' D' ' 522' ' ' SER . 23.1 mt -63.08 -36.0 82.12 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 108.844 -0.799 . . . . 10.0 108.844 177.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 526' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' D' ' 526' ' ' ARG . 61.4 mtt85 -63.82 -37.82 88.81 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.537 -0.542 . . . . 10.0 109.537 178.672 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -65.19 -41.62 94.38 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.305 -0.628 . . . . 10.0 109.305 178.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 528' ' ' ARG . . . . . 0.574 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 92.5 mtt180 -67.49 -45.56 75.51 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.394 -0.821 . . . . 10.0 109.588 179.144 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 74.0 mt -63.26 -34.86 78.6 Favored 'General case' 0 C--O 1.219 -0.502 0 CA-C-N 115.713 -0.676 . . . . 10.0 110.147 179.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -64.19 -42.76 96.53 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 116.393 -0.367 . . . . 10.0 110.209 178.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -68.66 -38.35 80.35 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.407 -0.59 . . . . 10.0 109.407 178.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 532' ' ' ARG . . . . . 0.41 ' O ' ' HG ' ' D' ' 536' ' ' LEU . 7.4 ttm180 -65.93 -44.79 84.07 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.601 -0.727 . . . . 10.0 109.425 178.739 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 36.4 mt -66.04 -33.57 76.11 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 115.648 -0.705 . . . . 10.0 109.548 178.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -60.82 -44.72 96.54 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 108.505 -0.924 . . . . 10.0 108.505 178.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -70.42 -34.6 72.69 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.526 -0.761 . . . . 10.0 109.414 178.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 536' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' D' ' 532' ' ' ARG . 73.5 mt -68.44 -30.12 68.93 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.246 -0.433 . . . . 10.0 111.321 179.52 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -82.42 -35.88 27.18 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.194 -0.669 . . . . 10.0 109.194 178.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -68.0 -53.03 29.0 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.018 -0.734 . . . . 10.0 109.018 178.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -67.0 -34.25 77.34 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.462 -0.79 . . . . 10.0 109.279 178.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 540' ' ' GLY . . . . . 0.434 ' O ' ' HG ' ' D' ' 544' ' ' LEU . . . -63.16 -53.63 38.62 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 111.46 -0.656 . . . . 10.0 111.46 179.392 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 541' ' ' GLY . . . . . 0.6 ' HA2' HD12 ' D' ' 544' ' ' LEU . . . -58.81 -40.7 95.42 Favored Glycine 0 N--CA 1.451 -0.309 0 N-CA-C 111.211 -0.755 . . . . 10.0 111.211 178.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -63.85 -49.0 74.5 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 109.365 -0.605 . . . . 10.0 109.365 178.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 543' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' D' ' 543' ' ' ARG . 60.1 mtt85 -63.54 -31.14 72.22 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-N 115.998 -0.546 . . . . 10.0 111.3 179.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 544' ' ' LEU . . . . . 0.6 HD12 ' HA2' ' D' ' 541' ' ' GLY . 65.3 mt -62.82 -44.51 95.96 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.082 -0.711 . . . . 10.0 109.082 178.252 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -66.99 -41.3 87.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.731 -0.668 . . . . 10.0 109.984 178.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 546' ' ' GLU . . . . . 0.485 ' HG2' ' HG2' ' A' ' 227' ' ' GLU . 46.8 mt-10 -64.15 -47.35 80.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.598 178.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -58.86 -47.9 83.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.145 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -64.59 -41.54 96.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.102 -0.499 . . . . 10.0 111.183 179.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -61.09 -54.5 43.86 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.033 0.444 . . . . 10.0 110.067 179.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 550' ' ' LYS . . . . . 0.472 ' HD2' ' O ' ' D' ' 546' ' ' GLU . 0.0 OUTLIER -63.6 -30.61 71.7 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 116.086 -0.506 . . . . 10.0 110.621 179.76 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -68.98 -37.28 78.68 Favored 'General case' 0 CA--C 1.519 -0.243 0 N-CA-C 109.688 -0.486 . . . . 10.0 109.688 178.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 24.6 m -67.37 -45.52 76.03 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.982 -0.748 . . . . 10.0 108.982 178.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 553' ' ' GLU . . . . . 0.469 ' OE1' ' HE2' ' D' ' 550' ' ' LYS . 37.1 mt-10 -62.62 -40.82 98.17 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 109.17 -0.678 . . . . 10.0 109.17 178.413 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 554' ' ' HIS . . . . . 0.436 ' HE1' HD21 ' A' ' 217' ' ' LEU . 18.3 t60 -65.06 -38.75 91.84 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 109.201 -0.666 . . . . 10.0 109.201 178.382 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 36.9 tp -63.39 -40.76 98.1 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 109.779 -0.452 . . . . 10.0 109.779 178.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 14.4 m -65.23 -38.49 90.57 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 109.258 -0.645 . . . . 10.0 109.258 178.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 13.4 m -68.88 -33.45 73.8 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 108.861 -0.792 . . . . 10.0 108.861 178.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 40.0 mt -61.75 -49.83 74.84 Favored 'General case' 0 C--O 1.221 -0.417 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.771 178.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.41 -32.23 72.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.935 0.397 . . . . 10.0 110.2 178.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -64.2 -26.21 68.42 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.722 -0.672 . . . . 10.0 110.37 179.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 7.0 mptt -101.65 -43.2 5.94 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.397 -0.365 . . . . 10.0 111.402 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -55.76 -46.41 77.89 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.083 0.401 . . . . 10.0 112.083 -179.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 24.0 mmtp -53.99 -63.13 2.89 Favored Pre-proline 0 CA--C 1.538 0.501 0 N-CA-C 112.823 0.675 . . . . 10.0 112.823 -179.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -66.35 -35.26 32.09 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 121.743 1.629 . . . . 10.0 112.76 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 565' ' ' ALA . . . . . 0.51 ' O ' ' HB2' ' D' ' 569' ' ' LEU . . . -65.9 -51.31 59.81 Favored 'General case' 0 C--O 1.226 -0.179 0 C-N-CA 121.228 -0.189 . . . . 10.0 110.955 -179.385 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 65.3 mt -63.53 -46.28 86.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.696 -0.229 . . . . 10.0 110.966 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -62.12 -48.07 81.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.754 0.311 . . . . 10.0 111.462 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -66.0 -38.32 88.17 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.938 -0.305 . . . . 10.0 110.721 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 569' ' ' LEU . . . . . 0.51 ' HB2' ' O ' ' D' ' 565' ' ' ALA . 1.5 mt -63.0 -45.15 93.75 Favored 'General case' 0 C--O 1.225 -0.217 0 N-CA-C 109.28 -0.637 . . . . 10.0 109.28 178.533 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 570' ' ' ARG . . . . . 0.47 ' O ' ' HG ' ' D' ' 574' ' ' LEU . 81.3 mtt180 -61.64 -44.8 96.29 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.352 179.078 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -72.23 -13.73 61.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.474 -0.33 . . . . 10.0 111.562 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -95.16 -36.34 5.48 Favored Glycine 0 N--CA 1.449 -0.478 0 N-CA-C 111.187 -0.765 . . . . 10.0 111.187 179.016 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 573' ' ' LEU . . . . . 0.628 ' HA ' HG12 ' D' ' 576' ' ' VAL . 92.9 mt -72.52 -34.91 67.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.86 -0.17 . . . . 10.0 111.035 179.424 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 574' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' D' ' 570' ' ' ARG . 73.7 mt -50.77 -56.97 15.17 Favored Pre-proline 0 CA--C 1.536 0.44 0 N-CA-C 112.747 0.647 . . . . 10.0 112.747 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 575' ' ' PRO . . . . . 0.412 ' HD3' ' HB2' ' D' ' 574' ' ' LEU . 61.2 Cg_endo -74.94 -32.19 5.68 Favored 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 121.722 1.615 . . . . 10.0 112.181 179.635 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 576' ' ' VAL . . . . . 0.628 HG12 ' HA ' ' D' ' 573' ' ' LEU . 0.4 OUTLIER -67.3 -37.54 79.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 C-N-CA 120.998 -0.281 . . . . 10.0 111.472 -179.434 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 57.2 mt -64.14 -38.19 90.16 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 109.866 -0.42 . . . . 10.0 109.866 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 578' ' ' GLU . . . . . 0.421 ' O ' HG23 ' D' ' 582' ' ' VAL . 19.5 mm-40 -67.38 -42.45 83.37 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.152 179.165 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 55.7 m -63.54 -40.95 98.33 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 109.288 -0.634 . . . . 10.0 109.288 178.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -62.77 -40.83 98.53 Favored 'General case' 0 N--CA 1.457 -0.111 0 CA-C-N 115.968 -0.56 . . . . 10.0 109.945 178.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -58.63 -47.44 84.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.054 178.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 582' ' ' VAL . . . . . 0.421 HG23 ' O ' ' D' ' 578' ' ' GLU . 93.8 t -57.45 -48.99 81.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.607 -0.724 . . . . 10.0 110.64 179.636 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 5.7 p -65.82 -36.88 84.75 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.378 -0.373 . . . . 10.0 111.827 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 14.1 m-30 -70.04 -37.33 75.55 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.436 -0.347 . . . . 10.0 111.194 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 585' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' D' ' 585' ' ' LEU . 30.5 mt -61.04 -44.91 96.69 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.793 179.492 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.02 -36.41 77.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.388 0.613 . . . . 10.0 110.144 179.138 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 587' ' ' ALA . . . . . 0.739 ' HA ' ' HE2' ' A' ' 396' ' ' LYS . . . -63.76 -50.24 69.83 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.57 -0.741 . . . . 10.0 110.57 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 588' ' ' LEU . . . . . 0.433 HD22 ' H50' ' D' ' 630' ' ' 17F . 90.6 mt -62.06 -44.7 96.13 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.939 -0.573 . . . . 10.0 111.404 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -60.6 -52.27 65.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 10.0 111.009 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 590' ' ' GLU . . . . . 0.621 ' O ' ' HD3' ' D' ' 594' ' ' LYS . 6.2 mt-10 -63.13 -39.54 94.97 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 116.48 -0.327 . . . . 10.0 111.688 -179.547 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 2.4 m-30 -62.91 -40.14 96.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.987 0.422 . . . . 10.0 110.461 179.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 12.4 m -72.06 -25.15 61.67 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.2 -0.454 . . . . 10.0 110.272 179.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -70.86 -40.72 72.13 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.397 0.618 . . . . 10.0 109.531 178.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 594' ' ' LYS . . . . . 0.831 ' HE3' ' HB2' ' A' ' 388' ' ' SER . 11.4 mptt -71.83 -49.99 33.59 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.604 -0.726 . . . . 10.0 109.593 179.317 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 96.7 mt -90.11 61.08 5.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.894 -0.594 . . . . 10.0 109.958 179.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 . . . . . 0 C--N 1.321 -0.635 0 CA-C-N 115.615 -0.721 . . . . 10.0 111.432 -179.355 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 3.8 m . . . . . 0 C--O 1.233 0.233 0 CA-C-O 120.874 0.368 . . . . 10.0 110.929 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . 0.419 ' HB ' ' CE2' ' B' ' 4' ' ' TYR . 0.2 OUTLIER -81.94 132.32 35.26 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.341 -0.39 . . . . 10.0 110.439 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -98.83 126.8 44.58 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.198 -0.297 . . . . 10.0 110.198 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' TYR . . . . . 0.456 ' CD2' ' HB3' ' B' ' 51' ' ' CYS . 96.6 m-85 -121.72 110.96 16.58 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.849 0.357 . . . . 10.0 110.796 -179.374 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.665 ' HA ' ' HB3' ' B' ' 54' ' ' ASP . 58.8 mttm -83.48 101.13 11.19 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.923 -0.58 . . . . 10.0 110.247 179.526 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.551 ' O ' ' HA ' ' B' ' 55' ' ' ILE . 26.1 mt -110.29 123.95 50.75 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.698 -0.683 . . . . 10.0 110.577 -178.661 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.512 HG11 ' CD2' ' B' ' 71' ' ' TYR . 23.5 t -108.71 132.81 55.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.415 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.511 HG12 ' HD2' ' B' ' 16' ' ' LYS . 21.7 t -96.14 118.59 42.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 109.157 -0.683 . . . . 10.0 109.157 179.758 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 26.4 m -115.74 156.8 16.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.264 -0.425 . . . . 10.0 111.642 -179.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 156.16 164.49 13.39 Favored Glycine 0 N--CA 1.444 -0.826 0 N-CA-C 110.866 -0.893 . . . . 10.0 110.866 -179.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.23 -176.68 1.52 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.13 0.49 . . . . 10.0 111.607 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -76.77 137.07 39.06 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.033 -0.53 . . . . 10.0 111.937 -179.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . 0.504 ' HA2' " C5'" ' B' ' 201' ' ' GSP . . . 68.61 41.23 84.77 Favored Glycine 0 N--CA 1.453 -0.192 0 CA-C-N 115.354 -0.839 . . . . 10.0 114.569 178.482 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.647 ' HA ' ' HB2' ' B' ' 83' ' ' ALA . 30.9 m -106.92 -15.01 9.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 C-N-CA 120.489 -0.484 . . . . 10.0 111.498 179.472 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . 0.517 ' HA3' HD22 ' B' ' 116' ' ' ASN . . . 113.17 16.73 8.17 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.878 -0.677 . . . . 10.0 112.977 179.32 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.649 ' HB2' ' O3B' ' B' ' 201' ' ' GSP . 2.5 mmmm -54.66 -58.52 7.18 Favored 'General case' 0 N--CA 1.462 0.132 0 N-CA-C 112.428 0.529 . . . . 10.0 112.428 -179.323 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 2.0 m -67.26 -41.06 86.17 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.061 0.393 . . . . 10.0 112.061 -178.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . 0.552 ' HB3' ' H8 ' ' B' ' 201' ' ' GSP . . . -58.0 -51.87 67.87 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.553 -0.294 . . . . 10.0 111.56 -179.338 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.617 HD23 ' HB2' ' B' ' 146' ' ' ALA . 65.7 mt -60.45 -47.42 86.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.36 -0.382 . . . . 10.0 111.834 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 24.3 m -64.46 -44.44 91.05 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.292 -0.413 . . . . 10.0 112.075 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 88.0 mt -67.14 -30.39 49.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.865 0.364 . . . . 10.0 110.586 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . 0.584 ' HG3' ' HB1' ' B' ' 146' ' ' ALA . 7.6 mm-40 -63.91 -25.75 68.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.973 0.416 . . . . 10.0 111.611 179.026 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 14.3 tp -92.39 -26.62 17.95 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.059 0.457 . . . . 10.0 110.864 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 49.1 mm -90.08 -59.89 2.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 112.51 0.559 . . . . 10.0 112.51 -179.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -95.32 -15.08 23.39 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.561 0.22 . . . . 10.0 111.51 -178.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . 0.504 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 11.6 m-80 63.2 53.02 2.33 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 114.065 1.135 . . . . 10.0 114.065 178.274 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 19.5 p80 -157.25 156.33 32.3 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.735 -0.469 . . . . 10.0 109.735 178.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -95.76 129.56 42.95 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.389 0.614 . . . . 10.0 111.912 -179.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -99.91 101.58 12.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.767 -0.651 . . . . 10.0 110.598 179.268 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -73.6 -24.92 60.12 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.365 0.603 . . . . 10.0 112.008 -179.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -85.3 117.28 24.13 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.755 -0.657 . . . . 10.0 110.451 179.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -66.35 124.45 22.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.012 0.434 . . . . 10.0 111.371 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -125.25 113.01 26.1 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.963 -0.562 . . . . 10.0 109.76 179.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -60.5 127.49 22.96 Favored 'Trans proline' 0 CA--C 1.518 -0.284 0 C-N-CA 122.93 2.42 . . . . 10.0 112.059 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.446 ' OG1' ' O3G' ' B' ' 201' ' ' GSP . 4.9 m -107.62 126.07 52.11 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.186 179.581 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 39.6 mm -88.32 -48.54 14.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 108.548 -0.908 . . . . 10.0 108.548 178.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -172.94 103.53 0.14 Allowed 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.389 -0.823 . . . . 10.0 109.569 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -125.61 141.71 51.88 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.568 0.223 . . . . 10.0 111.01 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -114.84 143.13 45.6 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.69 0.281 . . . . 10.0 110.722 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -136.97 134.57 36.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.819 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -114.34 140.95 48.22 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.821 0.343 . . . . 10.0 110.999 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -154.38 136.16 14.46 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.187 -0.46 . . . . 10.0 110.439 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -107.97 113.59 26.9 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.11 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 3.5 t -125.34 150.14 30.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.374 -0.376 . . . . 10.0 110.579 -179.347 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 2.7 t -88.82 68.92 0.64 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.412 0 CA-C-O 121.594 0.712 . . . . 10.0 109.567 179.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . 0.595 HD13 HG21 ' B' ' 160' ' ' VAL . 64.2 mt -72.41 115.88 13.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.026 -0.988 . . . . 10.0 111.171 -179.163 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 61.79 22.23 12.84 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.715 -0.675 . . . . 10.0 112.349 179.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.92 -6.14 76.44 Favored Glycine 0 C--O 1.226 -0.395 0 C-N-CA 120.804 -0.713 . . . . 10.0 111.665 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -102.84 124.85 49.12 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.614 -0.513 . . . . 10.0 109.614 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 3.1 m -73.95 102.67 4.19 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.098 -0.704 . . . . 10.0 109.098 179.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . 0.456 ' HB3' ' CD2' ' B' ' 4' ' ' TYR . 3.3 m -107.26 136.9 46.3 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.217 0.451 . . . . 10.0 112.217 -177.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 53.5 tp -98.82 107.72 20.23 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 107.762 -1.199 . . . . 10.0 107.762 177.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 48.9 mt -83.36 123.1 29.31 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.977 -0.556 . . . . 10.0 112.436 -178.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . 0.665 ' HB3' ' HA ' ' B' ' 5' ' ' LYS . 19.6 t70 -104.86 88.31 2.87 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 107.317 -1.364 . . . . 10.0 107.317 177.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' ILE . . . . . 0.551 ' HA ' ' O ' ' B' ' 6' ' ' LEU . 9.7 mt -88.83 140.06 16.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 115.464 -0.789 . . . . 10.0 111.906 -177.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 32.5 tp -131.74 118.04 19.42 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.99 -0.55 . . . . 10.0 111.056 179.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -99.7 104.43 16.16 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.744 -0.836 . . . . 10.0 108.744 178.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.47 161.66 13.53 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.179 -0.464 . . . . 10.0 112.01 -178.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.37 139.42 58.76 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.076 -0.511 . . . . 10.0 111.71 -179.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -123.29 27.92 5.69 Favored Glycine 0 C--O 1.227 -0.298 0 CA-C-N 115.626 -0.716 . . . . 10.0 111.43 179.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -98.16 37.31 1.45 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.513 -0.343 . . . . 10.0 110.97 -179.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 59.54 -162.33 0.25 Allowed 'General case' 0 C--O 1.234 0.262 0 O-C-N 123.495 0.497 . . . . 10.0 110.984 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 71.98 -49.03 0.69 Allowed 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 113.419 0.896 . . . . 10.0 113.419 178.363 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' TYR . . . . . 0.45 ' HB3' ' HB3' ' B' ' 67' ' ' MET . 58.6 m-85 -76.27 85.47 3.07 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 114.105 1.15 . . . . 10.0 114.105 -178.268 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.97 -41.41 8.41 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.23 -0.896 . . . . 10.0 109.622 178.418 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.24 -39.62 39.71 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.769 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . 0.45 ' HB3' ' HB3' ' B' ' 64' ' ' TYR . 27.8 ttt -64.56 -30.51 71.54 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.648 -0.705 . . . . 10.0 110.332 179.346 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . 0.617 ' HA ' ' CE1' ' B' ' 71' ' ' TYR . 12.4 ttp180 -69.5 -36.29 76.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.73 -0.668 . . . . 10.0 110.262 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.9 -20.36 65.78 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.506 -0.77 . . . . 10.0 111.974 -179.708 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -78.77 -63.46 1.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.494 0.553 . . . . 10.0 112.494 -178.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' TYR . . . . . 0.617 ' CE1' ' HA ' ' B' ' 68' ' ' ARG . 37.4 p90 -66.16 -18.27 65.24 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 113.333 0.864 . . . . 10.0 113.333 -178.154 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . 0.669 ' HA ' ' HZ ' ' B' ' 78' ' ' PHE . 22.5 mtt -67.43 -27.9 67.44 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.045 0.45 . . . . 10.0 110.07 178.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -75.34 -42.13 55.01 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.69 -0.686 . . . . 10.0 110.616 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 4.2 m -75.51 -44.1 45.48 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.089 -0.505 . . . . 10.0 112.001 -179.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -59.94 132.18 50.78 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 121.194 -0.526 . . . . 10.0 112.841 -179.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -96.19 -54.71 3.2 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 121.106 0.479 . . . . 10.0 109.73 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -103.02 134.02 11.66 Favored Glycine 0 N--CA 1.447 -0.579 0 N-CA-C 110.869 -0.892 . . . . 10.0 110.869 179.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . 0.669 ' HZ ' ' HA ' ' B' ' 72' ' ' MET . 58.5 m-85 -114.11 123.87 50.7 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.631 0.729 . . . . 10.0 112.481 -179.024 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.493 HD13 HD22 ' B' ' 159' ' ' LEU . 16.2 tp -97.71 107.94 20.55 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.22 -0.9 . . . . 10.0 109.092 179.186 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 16.4 m -87.95 96.54 10.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.312 -0.404 . . . . 10.0 110.319 -179.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 70.0 t -100.89 123.77 54.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.672 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' PHE . . . . . 0.72 ' HB2' ' HB2' ' B' ' 89' ' ' SER . 19.4 p90 -132.61 145.22 50.92 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.61 179.508 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.647 ' HB2' ' HA ' ' B' ' 14' ' ' VAL . . . -82.29 122.17 27.6 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 108.695 -0.854 . . . . 10.0 108.695 178.73 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . 0.598 HD11 ' HA ' ' B' ' 118' ' ' CYS . 46.6 pt -65.94 -9.76 9.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 112.509 0.559 . . . . 10.0 112.509 -178.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 23.4 p-10 -101.33 6.36 42.69 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.063 0.458 . . . . 10.0 110.96 179.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 42.3 t-20 -135.29 111.38 9.57 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.028 0.442 . . . . 10.0 110.356 179.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 4.5 m -65.11 -30.98 71.96 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.775 0.657 . . . . 10.0 112.775 -178.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 47.4 tttp -58.53 -41.59 85.87 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 121.056 -0.258 . . . . 10.0 111.368 -179.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . 0.72 ' HB2' ' HB2' ' B' ' 82' ' ' PHE . 0.1 OUTLIER -59.85 -41.64 91.87 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.585 -0.28 . . . . 10.0 110.956 -179.864 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -64.35 -35.32 80.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.167 0.508 . . . . 10.0 110.801 -179.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.547 ' OE2' ' HG2' ' C' ' 184' ' ' LYS . 42.8 mt-10 -78.66 -35.41 45.35 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.861 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . 0.836 ' HA ' ' HD2' ' B' ' 95' ' ' HIS . 0.2 OUTLIER -61.45 -32.26 72.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.883 -0.599 . . . . 10.0 111.235 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 93' ' ' ILE . . . . . 0.606 HG12 ' O ' ' B' ' 89' ' ' SER . 46.5 mm -61.92 -35.07 66.04 Favored 'Isoleucine or valine' 0 C--O 1.231 0.125 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.829 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -64.3 -37.81 88.82 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 109.869 -0.419 . . . . 10.0 109.869 179.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 95' ' ' HIS . . . . . 0.836 ' HD2' ' HA ' ' B' ' 92' ' ' ASP . 98.4 m-70 -64.44 -44.86 89.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.039 -0.528 . . . . 10.0 109.726 179.237 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 13.3 m-30 -62.54 -45.21 93.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.333 -0.849 . . . . 10.0 111.458 -179.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -55.74 -47.44 76.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.18 -0.464 . . . . 10.0 111.807 -179.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -70.02 -43.43 71.33 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.098 0.407 . . . . 10.0 112.098 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 99' ' ' GLN . . . . . 0.541 ' HG2' ' SD ' ' B' ' 72' ' ' MET . 62.8 tt0 -60.99 -40.21 92.64 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.627 0.251 . . . . 10.0 110.824 179.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 55.8 mt -56.77 -45.08 82.89 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-O 121.094 0.473 . . . . 10.0 110.038 179.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' B' ' 105' ' ' ASP . 43.1 mtmt -70.03 -18.13 63.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.01 -0.541 . . . . 10.0 111.364 -179.605 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 8.4 tmm_? -88.01 -29.77 20.47 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.245 179.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . 0.433 HG23 ' O ' ' B' ' 99' ' ' GLN . 89.5 t -80.27 -55.65 8.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.266 -0.425 . . . . 10.0 111.662 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -81.91 -17.99 45.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.629 -0.259 . . . . 10.0 111.293 -179.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . 0.407 ' HA ' ' O ' ' B' ' 101' ' ' LYS . 23.4 t0 61.27 44.22 10.0 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.47 0.652 . . . . 10.0 111.801 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 9.7 t -140.15 143.37 36.12 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.927 -0.579 . . . . 10.0 110.305 179.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . 0.524 ' OE1' ' HG3' ' C' ' 178' ' ' LYS . 17.8 tp10 -86.31 -34.41 20.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.818 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.16 92.3 9.14 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.99 0.424 . . . . 10.0 111.446 -179.045 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 47.3 t -125.81 118.06 24.22 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 115.664 -0.698 . . . . 10.0 109.448 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -59.06 112.06 1.1 Allowed 'Trans proline' 0 N--CA 1.473 0.307 0 C-N-CA 123.034 2.489 . . . . 10.0 112.113 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 111' ' ' MET . . . . . 0.616 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 60.6 mtm -137.6 146.26 43.77 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.176 -0.465 . . . . 10.0 110.477 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 50.2 t -125.72 129.89 72.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.534 -0.543 . . . . 10.0 109.534 179.163 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 31.4 tp -89.86 115.8 27.46 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.174 -0.676 . . . . 10.0 109.174 178.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 77.2 t -114.19 115.21 48.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 121.159 0.504 . . . . 10.0 111.766 -178.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -91.87 112.78 4.24 Favored Glycine 0 N--CA 1.445 -0.744 0 N-CA-C 109.412 -1.475 . . . . 10.0 109.412 178.322 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 116' ' ' ASN . . . . . 0.517 HD22 ' HA3' ' B' ' 15' ' ' GLY . 67.2 t30 -98.22 161.64 13.6 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 117.118 0.459 . . . . 10.0 112.135 -178.158 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 58.4 mttm 69.64 35.35 2.45 Favored 'General case' 0 N--CA 1.462 0.137 0 O-C-N 124.016 0.823 . . . . 10.0 111.942 179.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 118' ' ' CYS . . . . . 0.598 ' HA ' HD11 ' B' ' 84' ' ' ILE . 97.4 m -68.1 -22.09 64.92 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.358 0.503 . . . . 10.0 112.358 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -72.62 -21.2 61.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.747 0.308 . . . . 10.0 110.975 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 23.6 mt -65.79 132.95 94.91 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 10.0 111.317 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -75.88 143.73 26.68 Favored 'Trans proline' 0 N--CA 1.462 -0.344 0 C-N-CA 122.647 2.232 . . . . 10.0 112.28 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 2.3 m 62.54 67.4 0.71 Allowed 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.216 -0.902 . . . . 10.0 111.775 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -72.65 159.22 34.21 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.432 -0.804 . . . . 10.0 111.378 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 1.3 m -95.01 -47.91 6.2 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.233 -0.439 . . . . 10.0 111.149 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 125' ' ' VAL . . . . . 0.406 HG13 ' HG3' ' B' ' 129' ' ' GLN . 77.9 t -89.78 109.94 21.17 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 CA-C-O 121.195 0.522 . . . . 10.0 109.891 178.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . 0.477 ' HB3' ' HG2' ' B' ' 128' ' ' LYS . 0.2 OUTLIER -74.6 153.23 39.08 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.72 -0.673 . . . . 10.0 110.046 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 4.1 m -54.73 -34.62 62.72 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.123 -0.49 . . . . 10.0 111.125 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 128' ' ' LYS . . . . . 0.772 ' CB ' ' HA ' ' C' ' 47' ' ' ASP . 9.9 pttm -57.9 -62.13 2.03 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.668 -0.696 . . . . 10.0 112.835 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . 0.436 ' H ' ' HG3' ' B' ' 128' ' ' LYS . 4.9 pt20 -61.75 -31.31 71.48 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.066 0.395 . . . . 10.0 112.066 -178.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.32 -45.83 89.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.425 -0.352 . . . . 10.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -82.58 -20.48 36.43 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 120.878 0.37 . . . . 10.0 110.409 179.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -60.4 -40.64 91.67 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.813 -0.63 . . . . 10.0 110.673 179.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 27.6 tp -71.82 -23.99 61.64 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.926 -0.579 . . . . 10.0 111.011 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . 0.54 ' HA ' ' HB2' ' B' ' 137' ' ' TYR . . . -81.32 -7.22 59.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.067 -0.515 . . . . 10.0 112.11 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 42.9 ttm105 -57.9 -57.17 13.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.098 -0.501 . . . . 10.0 111.731 -179.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 5.9 t -89.78 18.51 5.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.277 0.561 . . . . 10.0 110.738 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 137' ' ' TYR . . . . . 0.54 ' HB2' ' HA ' ' B' ' 134' ' ' ALA . 3.6 m-30 -106.85 -54.4 2.48 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.868 -0.605 . . . . 10.0 109.997 179.214 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 101.4 -4.38 54.57 Favored Glycine 0 N--CA 1.452 -0.249 0 N-CA-C 111.422 -0.671 . . . . 10.0 111.422 -178.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 139' ' ' ILE . . . . . 0.403 HG12 ' HB3' ' B' ' 137' ' ' TYR . 36.6 pt -89.06 153.45 49.13 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 115.702 -0.249 . . . . 10.0 110.441 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -91.51 143.67 3.04 Favored 'Trans proline' 0 N--CA 1.456 -0.71 0 C-N-CA 122.535 2.157 . . . . 10.0 112.57 179.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -110.46 129.55 55.75 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.61 -0.723 . . . . 10.0 109.646 178.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 42.3 mt -125.18 130.92 72.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.572 -0.285 . . . . 10.0 111.002 -179.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 143' ' ' GLU . . . . . 0.471 ' HB3' ' SG ' ' B' ' 118' ' ' CYS . 36.2 mt-10 -87.07 121.16 29.15 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.575 -0.898 . . . . 10.0 108.575 178.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 144' ' ' THR . . . . . 0.676 HG22 ' HA3' ' B' ' 151' ' ' GLY . 59.3 p -135.28 -178.52 5.14 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.157 0.503 . . . . 10.0 112.164 -178.268 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 145' ' ' SER . . . . . 0.424 ' HB3' ' OG1' ' B' ' 148' ' ' THR . 0.1 OUTLIER -169.68 124.06 0.79 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.117 -0.947 . . . . 10.0 108.647 178.884 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 146' ' ' ALA . . . . . 0.617 ' HB2' HD23 ' B' ' 19' ' ' LEU . . . -66.38 -30.73 71.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.243 0.544 . . . . 10.0 110.604 -178.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -65.42 -36.64 84.54 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.638 -0.71 . . . . 10.0 112.492 -179.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 148' ' ' THR . . . . . 0.424 ' OG1' ' HB3' ' B' ' 145' ' ' SER . 0.7 OUTLIER -96.3 -16.15 21.51 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 113.321 0.86 . . . . 10.0 113.321 -178.466 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 149' ' ' ARG . . . . . 0.529 ' HD2' HG21 ' B' ' 152' ' ' VAL . 6.1 tpt180 63.78 41.55 6.81 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.677 0.751 . . . . 10.0 110.309 -179.305 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -121.04 122.02 39.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.785 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 151' ' ' GLY . . . . . 0.676 ' HA3' HG22 ' B' ' 144' ' ' THR . . . 93.67 -9.25 73.84 Favored Glycine 0 N--CA 1.45 -0.376 0 CA-C-N 115.796 -0.638 . . . . 10.0 113.139 179.565 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 152' ' ' VAL . . . . . 0.529 HG21 ' HD2' ' B' ' 149' ' ' ARG . 3.9 t -57.24 -63.96 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 CA-C-O 121.019 0.438 . . . . 10.0 111.193 -179.703 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -62.04 -29.23 70.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.976 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -64.44 -54.9 25.4 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.898 -0.592 . . . . 10.0 111.211 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -63.45 -45.56 90.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.922 -0.581 . . . . 10.0 112.043 -179.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -58.39 -44.36 88.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.563 -0.29 . . . . 10.0 111.346 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 157' ' ' TYR . . . . . 0.513 ' HE2' ' HB3' ' C' ' 128' ' ' LYS . 3.1 m-85 -65.27 -41.38 94.26 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.525 179.489 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 60.3 m -62.84 -40.2 96.72 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.832 -0.622 . . . . 10.0 111.342 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 159' ' ' LEU . . . . . 0.493 HD22 HD13 ' B' ' 79' ' ' LEU . 42.6 tp -60.95 -45.37 95.01 Favored 'General case' 0 C--N 1.334 -0.089 0 CA-C-O 120.865 0.364 . . . . 10.0 110.779 179.517 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 160' ' ' VAL . . . . . 0.715 ' HA ' HD12 ' B' ' 163' ' ' ILE . 60.0 t -66.82 -38.17 80.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.945 -0.571 . . . . 10.0 110.434 179.378 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 161' ' ' ARG . . . . . 0.513 ' HB3' ' HG3' ' C' ' 135' ' ' ARG . 46.6 mtm-85 -66.15 -30.97 71.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.094 -0.503 . . . . 10.0 111.079 178.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -65.18 -33.82 76.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.237 0.541 . . . . 10.0 109.926 178.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 163' ' ' ILE . . . . . 0.715 HD12 ' HA ' ' B' ' 160' ' ' VAL . 19.9 mt -70.27 -40.78 78.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.6 -0.727 . . . . 10.0 109.353 179.057 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 40.8 mtt85 -70.42 -35.29 73.32 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.417 -0.586 . . . . 10.0 109.417 178.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 165' ' ' LYS . . . . . 0.512 ' HB2' ' HD3' ' C' ' 135' ' ' ARG . 28.3 ttmt -61.28 -38.9 88.43 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-N 115.428 -0.805 . . . . 10.0 109.048 178.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 37.5 t-80 -59.18 -46.06 89.39 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.604 -0.725 . . . . 10.0 109.705 178.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -61.57 -49.07 78.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.009 -0.542 . . . . 10.0 110.739 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -65.6 -49.38 68.97 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.606 -0.724 . . . . 10.0 112.201 -178.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? -68.08 -42.16 80.79 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.128 0.788 . . . . 10.0 113.128 -178.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 42.7 ttm -62.08 -31.42 71.85 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 111.916 0.339 . . . . 10.0 111.916 -179.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 49.9 m -62.21 -28.35 69.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.849 0.356 . . . . 10.0 110.85 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -92.33 -37.24 12.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 10.0 109.875 178.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 173' ' ' ASP . . . . . . . . . . . . . 24.0 t70 73.04 -67.91 0.25 Allowed 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.829 0.852 . . . . 10.0 112.361 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . 142.22 -39.05 1.41 Allowed Glycine 0 N--CA 1.448 -0.5 0 N-CA-C 110.827 -0.909 . . . . 10.0 110.827 -179.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 175' ' ' LYS . . . . . . . . . . . . . 35.7 mmtt -129.28 168.02 16.84 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.004 -0.739 . . . . 10.0 109.004 178.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 176' ' ' LYS . . . . . 0.82 ' H ' ' H8A' ' A' ' 415' ' ' 17F . 4.6 mmtp 60.04 35.28 21.42 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 123.476 0.485 . . . . 10.0 110.895 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 177' ' ' LYS . . . . . 0.418 ' HB3' ' H ' ' B' ' 178' ' ' LYS . 20.6 ttmt -168.47 -88.21 0.01 OUTLIER 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.165 -0.47 . . . . 10.0 111.793 -179.696 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 178' ' ' LYS . . . . . 0.868 ' HG3' ' H6A' ' A' ' 415' ' ' 17F . 18.6 mmtt 48.9 46.24 22.18 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 121.401 0.619 . . . . 10.0 110.312 -179.375 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 179' ' ' LYS . . . . . 0.551 ' HE3' ' O1P' ' A' ' 404' ' ' PCW . 24.8 tttt -88.9 111.88 22.62 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.807 -0.633 . . . . 10.0 112.357 -177.454 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 180' ' ' LYS . . . . . 0.504 ' HD2' ' HA ' ' B' ' 180' ' ' LYS . 27.4 tptt -170.33 38.9 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.725 -0.67 . . . . 10.0 109.73 179.284 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 2.5 m -114.39 154.92 27.25 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.786 -0.643 . . . . 10.0 110.284 -179.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 33.2 mmtt -131.2 135.53 47.48 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.838 0.351 . . . . 10.0 111.463 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 183' ' ' THR . . . . . 0.604 ' OG1' ' H51' ' A' ' 403' ' ' PCW . 0.2 OUTLIER -104.48 156.28 18.08 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.643 -0.503 . . . . 10.0 109.643 179.277 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 184' ' ' LYS . . . . . . . . . . . . . 52.1 tttp . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.961 -179.787 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.233 0.217 0 CA-C-O 120.74 0.305 . . . . 10.0 110.65 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 2' ' ' THR . . . . . 0.515 ' HB ' ' CE2' ' C' ' 4' ' ' TYR . 0.1 OUTLIER -77.3 122.5 25.18 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.418 -179.68 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -94.43 140.54 29.69 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.39 -0.596 . . . . 10.0 109.39 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 4' ' ' TYR . . . . . 0.515 ' CE2' ' HB ' ' C' ' 2' ' ' THR . 98.3 m-85 -131.44 114.35 14.82 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.653 0.263 . . . . 10.0 110.921 -179.59 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 5' ' ' LYS . . . . . 0.655 ' HA ' ' HB3' ' C' ' 54' ' ' ASP . 29.2 mttm -78.42 115.09 17.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.895 179.586 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . 0.518 HD12 HG12 ' C' ' 55' ' ' ILE . 11.2 mt -116.05 121.04 41.01 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.077 -0.511 . . . . 10.0 111.349 -178.487 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . 0.522 HG23 ' HA3' ' C' ' 75' ' ' GLY . 87.6 t -107.02 119.88 57.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.139 -0.482 . . . . 10.0 109.844 179.553 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.558 HG12 ' HD2' ' C' ' 16' ' ' LYS . 39.9 t -88.82 111.53 22.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 109.677 -0.49 . . . . 10.0 109.677 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 4.3 m -112.29 147.18 16.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.42 -0.355 . . . . 10.0 110.649 -179.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.97 169.63 25.58 Favored Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 111.231 -0.748 . . . . 10.0 111.231 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.01 -175.25 1.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.996 0.427 . . . . 10.0 111.988 -179.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -85.17 142.75 29.24 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.023 -0.535 . . . . 10.0 111.948 -179.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 13' ' ' GLY . . . . . 1.0 ' HA2' H5'1 ' C' ' 201' ' ' GSP . . . 67.07 24.71 73.29 Favored Glycine 0 CA--C 1.519 0.285 0 CA-C-N 115.319 -0.855 . . . . 10.0 114.334 178.656 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 34.6 m -95.15 -12.62 8.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 117.346 0.573 . . . . 10.0 111.672 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . 0.604 ' HA2' ' H8 ' ' C' ' 201' ' ' GSP . . . 108.71 20.48 8.07 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.742 -0.742 . . . . 10.0 112.661 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . 0.558 ' HD2' HG12 ' C' ' 8' ' ' VAL . 5.8 mtmm -57.54 -48.43 79.33 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.02 0.438 . . . . 10.0 111.324 -179.71 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 3.2 m -79.91 -38.14 33.15 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.691 -0.686 . . . . 10.0 111.104 -179.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.41 -51.34 68.71 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.361 -0.381 . . . . 10.0 111.287 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 19' ' ' LEU . . . . . 0.505 ' HB3' ' HZ ' ' C' ' 156' ' ' PHE . 64.5 mt -61.66 -51.88 66.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.849 0.357 . . . . 10.0 111.66 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 19.3 m -58.57 -39.86 81.51 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.098 -0.501 . . . . 10.0 111.966 -179.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 51.1 mt -66.34 -30.88 51.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.886 0.374 . . . . 10.0 111.034 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 22' ' ' GLN . . . . . 0.714 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 4.7 mm-40 -66.29 -28.38 68.65 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.901 0.381 . . . . 10.0 111.068 179.456 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 53.4 tp -84.03 -38.86 20.35 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.018 0.437 . . . . 10.0 110.868 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 24' ' ' ILE . . . . . 0.424 HG13 ' CD2' ' C' ' 40' ' ' TYR . 40.8 mm -83.68 -69.69 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.092 -0.503 . . . . 10.0 111.846 -179.089 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -75.23 -22.77 57.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.448 . . . . 10.0 111.458 -178.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 26' ' ' ASN . . . . . 0.714 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 8.9 m-80 71.46 31.06 2.37 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 113.717 1.006 . . . . 10.0 113.717 178.46 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 3.8 p80 -146.56 158.37 43.89 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 110.003 -0.369 . . . . 10.0 110.003 178.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -94.91 130.52 41.49 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.718 0.294 . . . . 10.0 110.469 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 1.2 m -98.9 110.6 26.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.885 -0.598 . . . . 10.0 110.036 179.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -79.37 -15.98 57.01 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.356 0.598 . . . . 10.0 110.419 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -80.21 127.16 32.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.813 -0.63 . . . . 10.0 110.065 179.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 32' ' ' TYR . . . . . 0.567 ' HD1' H5'2 ' C' ' 201' ' ' GSP . 30.7 t80 -78.9 112.28 15.92 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.233 -0.439 . . . . 10.0 111.015 -179.33 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -117.78 109.08 41.87 Favored Pre-proline 0 C--O 1.239 0.511 0 CA-C-N 116.378 -0.373 . . . . 10.0 110.448 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_exo -72.82 94.17 0.79 Allowed 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 122.521 2.148 . . . . 10.0 111.293 179.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 35' ' ' THR . . . . . 0.417 ' OG1' ' O3G' ' C' ' 201' ' ' GSP . 0.0 OUTLIER -87.53 141.89 28.28 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.012 179.307 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . 0.704 ' HA ' ' HB2' ' C' ' 59' ' ' ALA . 37.5 mm -95.41 -45.67 13.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.215 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -159.69 103.2 1.54 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.23 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -117.74 137.92 52.38 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 120.736 -0.386 . . . . 10.0 111.113 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 3.7 m -101.84 136.37 41.79 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.449 -0.342 . . . . 10.0 111.534 -178.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 40' ' ' TYR . . . . . 0.683 ' HB2' ' HB ' ' C' ' 55' ' ' ILE . 98.5 m-85 -131.66 129.25 40.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.494 . . . . 10.0 110.183 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . 0.531 ' HA ' ' O ' ' C' ' 53' ' ' LEU . 0.5 OUTLIER -130.15 127.4 39.67 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 110.175 -0.305 . . . . 10.0 110.175 179.909 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 50.6 tttp -148.15 132.14 17.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.369 -0.378 . . . . 10.0 110.861 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -102.76 110.61 22.6 Favored 'General case' 0 C--N 1.323 -0.543 0 N-CA-C 110.291 -0.263 . . . . 10.0 110.291 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 6.7 m -130.09 174.45 12.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 120.798 0.333 . . . . 10.0 111.33 -179.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 17.4 t -99.47 107.12 20.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.069 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 59.9 mt -113.83 120.48 63.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.097 -0.501 . . . . 10.0 110.171 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 47' ' ' ASP . . . . . 0.772 ' HA ' ' CB ' ' B' ' 128' ' ' LYS . 65.9 m-20 61.92 33.58 17.37 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 123.793 0.683 . . . . 10.0 112.249 179.422 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.17 31.21 57.78 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.95 -0.643 . . . . 10.0 113.036 179.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -148.7 134.69 19.1 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.09 -0.337 . . . . 10.0 110.09 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 5.9 m -71.87 117.12 13.06 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 110.003 -0.369 . . . . 10.0 110.003 179.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 2.2 m -121.48 143.14 49.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.929 0.395 . . . . 10.0 111.677 -178.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 60.1 tp -101.91 111.41 23.67 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.112 -0.699 . . . . 10.0 109.112 178.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . 0.531 ' O ' ' HA ' ' C' ' 41' ' ' ARG . 38.3 mt -80.4 118.76 22.31 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.057 -0.519 . . . . 10.0 112.155 -179.284 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . 0.655 ' HB3' ' HA ' ' C' ' 5' ' ' LYS . 32.7 t70 -107.28 76.74 1.1 Allowed 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 107.476 -1.305 . . . . 10.0 107.476 177.763 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 55' ' ' ILE . . . . . 0.683 ' HB ' ' HB2' ' C' ' 40' ' ' TYR . 2.3 mt -87.99 148.4 4.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.193 -0.912 . . . . 10.0 112.362 -177.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 16.3 tp -138.86 121.88 16.75 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.762 -0.654 . . . . 10.0 110.52 179.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -90.18 114.37 26.32 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.775 -0.824 . . . . 10.0 108.775 179.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 62.1 p -94.96 170.19 9.6 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.077 -0.51 . . . . 10.0 112.137 -177.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 59' ' ' ALA . . . . . 0.704 ' HB2' ' HA ' ' C' ' 36' ' ' ILE . . . -90.75 127.77 36.44 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-O 121.098 0.475 . . . . 10.0 109.925 179.744 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -103.42 27.89 17.97 Favored Glycine 0 C--O 1.225 -0.46 0 C-N-CA 120.786 -0.721 . . . . 10.0 112.655 -179.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 61' ' ' GLN . . . . . 0.423 ' HB3' HE21 ' C' ' 61' ' ' GLN . 17.7 mt-30 -96.58 15.88 20.39 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.549 0.214 . . . . 10.0 111.402 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 60.49 -162.21 0.27 Allowed 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 115.997 -0.547 . . . . 10.0 111.501 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 71.7 -39.64 0.45 Allowed 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 113.156 0.799 . . . . 10.0 113.156 179.087 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 64' ' ' TYR . . . . . 0.639 ' HB3' ' HB3' ' C' ' 67' ' ' MET . 74.8 m-85 -74.4 67.5 1.45 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.012 0.434 . . . . 10.0 112.167 -179.452 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 1.3 m -72.03 -37.1 69.8 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.506 179.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.32 -42.22 23.42 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.1 -0.5 . . . . 10.0 111.075 -179.175 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 67' ' ' MET . . . . . 0.639 ' HB3' ' HB3' ' C' ' 64' ' ' TYR . 19.2 ttt -61.6 -37.03 82.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.702 -0.681 . . . . 10.0 110.866 -179.549 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 68' ' ' ARG . . . . . 0.587 ' HA ' ' CE2' ' C' ' 71' ' ' TYR . 7.1 ttp180 -62.33 -39.8 94.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.165 -0.471 . . . . 10.0 110.921 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -63.93 -40.62 96.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.635 -0.712 . . . . 10.0 111.018 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -54.52 -58.04 9.01 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 113.64 0.978 . . . . 10.0 113.64 -178.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 71' ' ' TYR . . . . . 0.587 ' CE2' ' HA ' ' C' ' 68' ' ' ARG . 2.3 p90 -75.79 -16.78 60.06 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 113.152 0.797 . . . . 10.0 113.152 -178.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 72' ' ' MET . . . . . 0.497 ' HE3' ' HG2' ' C' ' 68' ' ' ARG . 32.2 mtt -68.42 -31.04 70.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.559 0.695 . . . . 10.0 110.417 179.338 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 73' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' C' ' 73' ' ' ARG . 41.1 mtm105 -80.3 -9.73 59.74 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.649 -0.705 . . . . 10.0 111.095 179.516 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -100.26 -52.2 3.45 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.392 -0.367 . . . . 10.0 111.403 -179.757 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 75' ' ' GLY . . . . . 0.522 ' HA3' HG23 ' C' ' 7' ' ' VAL . . . -59.95 140.18 48.11 Favored Glycine 0 N--CA 1.452 -0.29 0 CA-C-N 115.988 -0.551 . . . . 10.0 113.313 -179.022 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . 0.488 ' HG3' ' HB2' ' C' ' 5' ' ' LYS . 36.5 mt-10 -92.82 -43.27 9.09 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.081 0.467 . . . . 10.0 109.967 179.573 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -118.41 135.08 11.32 Favored Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 111.198 -0.761 . . . . 10.0 111.198 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 78' ' ' PHE . . . . . 0.658 ' HB2' ' HG2' ' C' ' 111' ' ' MET . 96.0 m-85 -109.1 124.59 51.03 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.218 0.532 . . . . 10.0 111.903 -178.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . 0.458 HD13 HD22 ' C' ' 159' ' ' LEU . 14.2 tp -96.13 104.26 16.2 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.576 -0.738 . . . . 10.0 109.32 179.494 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 80' ' ' CYS . . . . . 0.585 ' HB3' HD12 ' C' ' 93' ' ' ILE . 3.4 m -83.13 97.3 8.73 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.413 -0.358 . . . . 10.0 110.134 -179.619 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 45.4 t -99.78 125.08 53.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.261 -0.427 . . . . 10.0 111.708 -178.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 11.4 p90 -133.17 163.88 28.29 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.004 -0.544 . . . . 10.0 109.566 178.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 83' ' ' ALA . . . . . 0.445 ' HB3' ' HB3' ' C' ' 86' ' ' ASN . . . -103.34 130.76 50.71 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.676 -0.491 . . . . 10.0 109.676 179.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 84' ' ' ILE . . . . . 0.702 HD12 ' HB3' ' C' ' 123' ' ' ARG . 23.6 pt -63.51 -21.57 28.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.844 0.354 . . . . 10.0 111.571 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -96.27 8.13 44.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.642 179.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 86' ' ' ASN . . . . . 0.445 ' HB3' ' HB3' ' C' ' 83' ' ' ALA . 19.2 t-20 -132.57 94.89 3.5 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.137 0.494 . . . . 10.0 110.865 -179.1 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.45 -29.82 69.26 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.733 -0.667 . . . . 10.0 111.367 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -58.89 -48.17 82.36 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.99 179.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 77.8 p -64.23 -27.34 68.99 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-O 120.761 0.315 . . . . 10.0 111.344 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 90' ' ' PHE . . . . . 0.421 ' HB2' HG21 ' C' ' 125' ' ' VAL . 90.6 t80 -67.32 -42.79 83.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.025 -0.534 . . . . 10.0 109.717 179.314 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -70.64 -35.07 72.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.999 -0.546 . . . . 10.0 109.782 179.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.16 -30.23 68.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.48 -0.782 . . . . 10.0 111.355 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 93' ' ' ILE . . . . . 0.585 HD12 ' HB3' ' C' ' 80' ' ' CYS . 43.8 mm -57.3 -49.82 78.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-N 116.495 -0.321 . . . . 10.0 111.125 179.429 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 79.8 t60 -61.69 -42.27 98.71 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.116 0.484 . . . . 10.0 110.098 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 42.3 m170 -64.9 -32.93 74.88 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.715 -0.675 . . . . 10.0 111.207 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 18.5 m-30 -72.49 -49.81 30.43 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.348 179.045 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 97' ' ' ARG . . . . . 0.459 ' CZ ' ' HD3' ' C' ' 101' ' ' LYS . 23.4 ttt-85 -56.83 -41.46 77.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.512 -179.155 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -61.41 -34.35 75.22 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.295 -0.411 . . . . 10.0 111.429 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -78.94 -39.65 34.06 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-O 120.897 0.379 . . . . 10.0 110.001 178.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 92.6 mt -57.13 -46.48 84.57 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.764 179.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 101' ' ' LYS . . . . . 0.459 ' HD3' ' CZ ' ' C' ' 97' ' ' ARG . 35.1 mtmt -66.43 -27.72 68.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.087 -0.506 . . . . 10.0 111.157 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 15.3 ttm180 -79.28 -47.21 16.3 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.965 -0.561 . . . . 10.0 111.12 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 86.2 t -62.77 -41.01 90.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 10.0 111.211 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 7.8 mttp -88.08 -8.73 55.08 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.355 -0.384 . . . . 10.0 111.061 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 11.0 t70 54.56 56.96 6.19 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.699 -0.682 . . . . 10.0 112.01 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 35.3 t -165.28 142.06 5.68 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.715 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -80.03 -24.23 40.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.381 0.61 . . . . 10.0 109.604 179.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -102.43 110.2 22.07 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.735 -0.666 . . . . 10.0 111.505 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 57.7 t -141.61 129.4 11.86 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 115.275 -0.875 . . . . 10.0 108.926 179.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -60.43 114.21 2.02 Favored 'Trans proline' 0 C--O 1.236 0.381 0 C-N-CA 122.576 2.184 . . . . 10.0 112.182 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 111' ' ' MET . . . . . 0.658 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 29.7 mtm -141.78 151.19 42.62 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.844 -179.784 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 112' ' ' VAL . . . . . 0.422 HG21 ' HA ' ' C' ' 159' ' ' LEU . 42.1 t -134.22 129.31 53.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.178 179.366 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 113' ' ' LEU . . . . . 0.605 ' HB3' ' HD1' ' C' ' 141' ' ' PHE . 0.5 OUTLIER -85.36 124.95 32.55 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.416 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 70.1 t -122.89 117.87 53.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.09 0.471 . . . . 10.0 111.422 -179.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -101.03 99.06 1.91 Allowed Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 109.999 -1.24 . . . . 10.0 109.999 178.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 116' ' ' ASN . . . . . 0.448 ' ND2' ' HA3' ' C' ' 15' ' ' GLY . 66.4 t30 -83.16 165.86 19.13 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.846 0.313 . . . . 10.0 111.846 -178.148 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 117' ' ' LYS . . . . . 0.512 ' HE2' ' C4 ' ' C' ' 201' ' ' GSP . 82.6 mttt 64.09 30.29 13.91 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 123.166 0.587 . . . . 10.0 111.658 179.628 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 118' ' ' CYS . . . . . 0.629 ' HA ' HD13 ' C' ' 84' ' ' ILE . 0.7 OUTLIER -69.55 1.67 3.86 Favored 'General case' 0 N--CA 1.463 0.193 0 N-CA-C 112.917 0.71 . . . . 10.0 112.917 -179.338 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -105.19 -0.94 26.0 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.905 0.383 . . . . 10.0 110.629 179.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 120' ' ' LEU . . . . . 0.504 HD21 HN21 ' C' ' 201' ' ' GSP . 40.9 mt -87.77 134.87 34.64 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.222 -0.444 . . . . 10.0 110.505 179.417 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -68.81 156.24 66.06 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.882 2.388 . . . . 10.0 112.286 -179.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 19.8 m 61.71 72.9 0.49 Allowed 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 113.018 0.747 . . . . 10.0 113.018 179.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 123' ' ' ARG . . . . . 0.702 ' HB3' HD12 ' C' ' 84' ' ' ILE . 7.9 ptp180 -87.63 129.38 35.14 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.644 179.581 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -72.89 -45.44 58.22 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 120.751 0.31 . . . . 10.0 111.193 -179.742 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 125' ' ' VAL . . . . . 0.421 HG21 ' HB2' ' C' ' 90' ' ' PHE . 98.7 t -85.26 118.48 32.24 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.425 0 N-CA-C 109.436 -0.579 . . . . 10.0 109.436 178.614 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -67.65 148.0 51.94 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.908 -0.587 . . . . 10.0 109.654 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.16 -45.93 89.7 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.469 -0.332 . . . . 10.0 110.716 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 128' ' ' LYS . . . . . 0.513 ' HB3' ' HE2' ' B' ' 157' ' ' TYR . 14.2 ptpt -60.18 -48.39 81.92 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 113.095 0.776 . . . . 10.0 113.095 -179.097 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -67.94 -30.18 69.42 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.228 0.455 . . . . 10.0 112.228 -178.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.26 -41.79 66.34 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.709 -0.478 . . . . 10.0 109.709 179.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -67.71 -38.27 83.39 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.723 -0.671 . . . . 10.0 110.791 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -62.8 -37.47 86.86 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.836 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 7.0 tp -62.34 -42.98 99.83 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.749 -0.463 . . . . 10.0 109.749 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -68.47 -34.59 76.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.7 -0.682 . . . . 10.0 109.832 178.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 135' ' ' ARG . . . . . 0.513 ' HG3' ' HB3' ' B' ' 161' ' ' ARG . 6.6 tmm_? -61.28 -42.59 98.9 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.666 -0.697 . . . . 10.0 110.251 179.172 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 65.4 m -62.6 -33.68 75.48 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.123 -0.49 . . . . 10.0 110.828 179.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 21.8 m-30 -75.38 -32.14 60.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.834 -0.621 . . . . 10.0 109.845 179.085 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 94.77 26.31 13.31 Favored Glycine 0 N--CA 1.447 -0.571 0 N-CA-C 111.499 -0.64 . . . . 10.0 111.499 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 139' ' ' ILE . . . . . 0.606 ' HB ' ' HD2' ' C' ' 140' ' ' PRO . 29.2 pt -124.65 167.14 16.68 Favored Pre-proline 0 C--O 1.238 0.476 0 N-CA-C 110.49 -0.189 . . . . 10.0 110.49 -179.273 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 140' ' ' PRO . . . . . 0.606 ' HD2' ' HB ' ' C' ' 139' ' ' ILE . 86.7 Cg_endo -84.12 166.26 12.82 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.706 2.271 . . . . 10.0 112.802 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 141' ' ' PHE . . . . . 0.605 ' HD1' ' HB3' ' C' ' 113' ' ' LEU . 60.6 t80 -148.59 114.94 5.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.536 -0.756 . . . . 10.0 110.295 179.651 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 71.9 mt -117.95 135.84 57.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.018 0.437 . . . . 10.0 110.573 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 143' ' ' GLU . . . . . 0.405 ' HB3' ' SG ' ' C' ' 118' ' ' CYS . 37.3 mt-10 -69.27 140.14 54.42 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.459 -0.571 . . . . 10.0 109.459 179.075 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 144' ' ' THR . . . . . 0.461 HG22 HG22 ' C' ' 152' ' ' VAL . 0.0 OUTLIER -139.52 158.94 43.28 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.846 0.684 . . . . 10.0 112.846 -178.767 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 2.1 t -155.05 128.89 8.68 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.505 -0.77 . . . . 10.0 109.521 179.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -78.43 -14.25 59.47 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.228 0.537 . . . . 10.0 110.364 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -80.2 -48.34 13.26 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.68 -0.691 . . . . 10.0 111.019 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 148' ' ' THR . . . . . 0.404 ' HB ' ' HG3' ' C' ' 150' ' ' GLN . 38.8 p -90.87 -25.45 19.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.35 -0.386 . . . . 10.0 111.297 -179.261 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 9.6 ttt85 67.16 18.08 10.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.657 -0.701 . . . . 10.0 111.69 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 150' ' ' GLN . . . . . 0.404 ' HG3' ' HB ' ' C' ' 148' ' ' THR . 78.0 mt-30 -77.86 123.98 27.42 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.919 -0.582 . . . . 10.0 111.064 -179.661 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 74.5 -0.84 54.07 Favored Glycine 0 CA--C 1.517 0.187 0 CA-C-N 115.894 -0.594 . . . . 10.0 113.476 179.183 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 152' ' ' VAL . . . . . 0.461 HG22 HG22 ' C' ' 144' ' ' THR . 99.5 t -66.89 -45.55 87.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 120.55 0.214 . . . . 10.0 111.323 -179.131 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -57.76 -51.01 71.32 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.893 -0.594 . . . . 10.0 111.489 -179.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -69.69 -35.37 75.03 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.418 0.525 . . . . 10.0 112.418 -179.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -55.91 -42.39 75.96 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.669 0.271 . . . . 10.0 110.879 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 156' ' ' PHE . . . . . 0.505 ' HZ ' ' HB3' ' C' ' 19' ' ' LEU . 12.8 m-85 -67.3 -40.57 86.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.683 179.481 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 16.6 m-30 -68.71 -30.37 69.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.721 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 88.5 m -60.97 -33.2 72.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.994 -0.548 . . . . 10.0 111.479 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 159' ' ' LEU . . . . . 0.458 HD22 HD13 ' C' ' 79' ' ' LEU . 39.0 tp -63.57 -45.46 90.35 Favored 'General case' 0 C--O 1.23 0.078 0 CA-C-O 120.965 0.412 . . . . 10.0 110.072 179.361 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 79.4 t -64.86 -38.76 83.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.662 -0.699 . . . . 10.0 109.442 179.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 -61.67 -40.25 94.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.266 -0.879 . . . . 10.0 110.912 179.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -65.19 -36.6 84.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.427 -0.351 . . . . 10.0 110.99 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 163' ' ' ILE . . . . . 0.425 HG22 ' HE3' ' C' ' 167' ' ' LYS . 72.3 mt -64.57 -39.69 86.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.055 -0.72 . . . . 10.0 109.055 178.675 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 164' ' ' ARG . . . . . 0.467 ' NH1' ' HB2' ' C' ' 47' ' ' ASP . 69.7 mtt180 -65.41 -41.52 93.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.552 -0.749 . . . . 10.0 109.805 178.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 46.7 mtpt -63.59 -37.8 88.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.639 -0.71 . . . . 10.0 110.514 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 -61.82 -45.99 91.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.098 0.475 . . . . 10.0 110.547 179.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 167' ' ' LYS . . . . . 0.425 ' HE3' HG22 ' C' ' 163' ' ' ILE . 94.0 mttt -63.14 -39.39 94.53 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.217 0.532 . . . . 10.0 110.392 179.369 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 26.9 tp10 -67.1 -44.43 80.01 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.625 -0.716 . . . . 10.0 109.976 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 169' ' ' LYS . . . . . 0.757 ' HA ' ' HE3' ' C' ' 172' ' ' LYS . 9.8 mtpm? -63.86 -41.07 97.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.833 -0.621 . . . . 10.0 111.255 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 12.2 mmt -66.54 -32.64 74.12 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.249 -0.432 . . . . 10.0 111.483 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 61.9 m -66.65 -26.03 66.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.007 0.432 . . . . 10.0 111.508 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 172' ' ' LYS . . . . . 0.757 ' HE3' ' HA ' ' C' ' 169' ' ' LYS . 19.7 pttp -104.19 6.15 35.4 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.948 179.455 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 173' ' ' ASP . . . . . . . . . . . . . 20.5 t70 70.61 -55.76 0.62 Allowed 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 115.643 -0.708 . . . . 10.0 111.944 -179.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . -163.46 -121.2 0.55 Allowed Glycine 0 N--CA 1.439 -1.104 0 N-CA-C 111.163 -0.775 . . . . 10.0 111.163 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 175' ' ' LYS . . . . . . . . . . . . . 15.5 mttt -114.84 92.38 3.92 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.964 0.411 . . . . 10.0 110.457 179.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 176' ' ' LYS . . . . . . . . . . . . . 29.5 tttm -159.09 46.54 0.29 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.548 -0.751 . . . . 10.0 110.359 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 177' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -139.81 85.24 2.02 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.012 -0.54 . . . . 10.0 111.17 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 178' ' ' LYS . . . . . 0.524 ' HG3' ' OE1' ' B' ' 107' ' ' GLU . 25.6 ttpt -100.56 89.09 3.8 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 121.394 0.616 . . . . 10.0 109.704 179.105 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 179' ' ' LYS . . . . . . . . . . . . . 55.4 tttm -151.13 149.72 29.82 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.483 -0.781 . . . . 10.0 110.422 -179.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 180' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -96.29 146.9 24.33 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 116.191 -0.458 . . . . 10.0 110.744 179.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -102.54 -70.53 0.75 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.6 -0.727 . . . . 10.0 109.591 179.1 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 182' ' ' LYS . . . . . . . . . . . . . 32.6 pttt -121.19 151.43 39.96 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.867 -0.606 . . . . 10.0 109.418 179.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 3.1 m -86.73 -37.94 17.42 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.96 0.409 . . . . 10.0 111.053 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 184' ' ' LYS . . . . . 0.547 ' HG2' ' OE2' ' B' ' 91' ' ' GLU . 46.4 tttm . . . . . 0 C--N 1.326 -0.451 0 CA-C-O 121.165 0.507 . . . . 10.0 111.649 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 401' ' ' PCW . . . . . 1.063 H252 H281 ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 402' ' ' PCW . . . . . 0.824 ' C31' H352 ' A' ' 402' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 403' ' ' PCW . . . . . 1.007 ' O4P' ' H31' ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 404' ' ' PCW . . . . . 1.027 H352 ' C6 ' ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 405' ' ' PCW . . . . . 0.844 ' H73' ' O11' ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 406' ' ' PCW . . . . . 1.054 H122 ' H6A' ' B' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 407' ' ' PCW . . . . . 1.051 H212 ' C17' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 408' ' ' PCW . . . . . 1.012 H152 H211 ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 409' ' ' PCW . . . . . 1.162 ' C19' H142 ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 410' ' ' PCW . . . . . 0.992 ' H39' H371 ' A' ' 412' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 411' ' ' PCW . . . . . 1.012 H211 H152 ' A' ' 408' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 412' ' ' PCW . . . . . 0.992 H371 ' H39' ' A' ' 410' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 413' ' ' PCW . . . . . 1.017 H341 H132 ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 414' ' ' PCW . . . . . 1.062 H162 ' H20' ' A' ' 415' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 415' ' ' 17F . . . . . 1.062 ' H20' H162 ' A' ' 414' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 416' ' ' 17F . . . . . 0.863 ' H57' H211 ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 417' ' ' PCW . . . . . 0.986 H362 H371 ' A' ' 421' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 418' ' ' PCW . . . . . 1.006 H422 H231 ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 419' ' ' PCW . . . . . 1.055 ' C40' H441 ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 420' ' ' PCW . . . . . 1.01 ' C36' H412 ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 421' ' ' PCW . . . . . 1.024 H141 ' H11' ' D' ' 630' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 422' ' ' 17F . . . . . 1.053 ' H62' H421 ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 601' ' ' PCW . . . . . 1.066 H421 H461 ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 602' ' ' PCW . . . . . 0.978 H351 ' H73' ' C' ' 214' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 603' ' ' PCW . . . . . 1.073 H412 H371 ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 604' ' ' PCW . . . . . 1.107 H251 ' H76' ' C' ' 215' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 605' ' ' PCW . . . . . 0.967 ' O31' ' H52' ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 606' ' ' PCW . . . . . 1.051 H172 H212 ' D' ' 606' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 607' ' ' PCW . . . . . 0.846 ' C1 ' H372 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 608' ' ' PCW . . . . . 1.073 H452 ' H60' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 609' ' ' PCW . . . . . 1.089 ' H2 ' ' H61' ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 610' ' ' PCW . . . . . 1.013 ' H63' ' H6A' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 611' ' ' PCW . . . . . 0.998 H211 H432 ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 612' ' ' PCW . . . . . 1.028 H222 H482 ' D' ' 620' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 613' ' ' PCW . . . . . 1.031 H212 H172 ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 614' ' ' PCW . . . . . 1.046 H482 H211 ' D' ' 620' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 615' ' ' PCW . . . . . 1.063 H281 H252 ' A' ' 401' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 616' ' ' PCW . . . . . 1.089 ' H61' ' H2 ' ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 617' ' ' PCW . . . . . 1.051 H451 H452 ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 618' ' ' PCW . . . . . 1.01 H412 ' C36' ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 619' ' ' PCW . . . . . 1.09 H451 ' H55' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 620' ' ' PCW . . . . . 1.046 H211 H482 ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 621' ' ' PCW . . . . . 1.065 ' O1P' ' H52' ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 622' ' ' PCW . . . . . 1.095 H181 H142 ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 623' ' ' PCW . . . . . 1.07 H322 ' C36' ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 624' ' ' PCW . . . . . 1.028 H242 H242 ' C' ' 217' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 625' ' ' PCW . . . . . 1.055 H441 ' C40' ' A' ' 419' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 626' ' ' PCW . . . . . 1.084 H282 H461 ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 627' ' ' PCW . . . . . 1.039 H151 H131 ' D' ' 619' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 628' ' ' 17F . . . . . 1.073 ' H60' H452 ' D' ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 629' ' ' 17F . . . . . 1.022 ' H46' ' C20' ' D' ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 630' ' ' 17F . . . . . 1.024 ' H11' H141 ' A' ' 421' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 631' ' ' 17F . . . . . 1.09 ' H55' H451 ' D' ' 619' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 632' ' ' 17F . . . . . 0.993 ' O9 ' H141 ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 201' ' ' GSP . . . . . 0.881 ' O2A' " H3'" ' B' ' 201' ' ' GSP . . . . . . . . 0 O4'--C1' 1.438 1.974 2 O4'-C1'-N19 112.647 4.447 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 202' ' ' ' MG' . . . . . 0.624 'MG ' ' O3G' ' B' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 203' ' ' PCW . . . . . 1.056 H242 ' H19' ' B' ' 209' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 204' ' ' PCW . . . . . 1.045 H483 ' H56' ' B' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 205' ' ' PCW . . . . . 1.091 ' O11' ' H51' ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 206' ' ' PCW . . . . . 1.033 H241 H122 ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 207' ' ' PCW . . . . . 1.067 ' C4 ' ' H31' ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 208' ' ' PCW . . . . . 1.039 H161 H283 ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 209' ' ' 17F . . . . . 1.056 ' H19' H242 ' B' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 210' ' ' 17F . . . . . 1.045 ' H56' H483 ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 211' ' ' 17F . . . . . 1.054 ' H6A' H122 ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 201' ' ' GSP . . . . . 1.0 H5'1 ' HA2' ' C' ' 13' ' ' GLY . . . . . . . . 0 O4'--C1' 1.438 1.959 2 O4'-C1'-N19 112.941 4.741 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 202' ' ' ' MG' . . . . . 0.639 'MG ' ' O3G' ' C' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 203' ' ' PCW . . . . . 1.061 H452 H232 ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 204' ' ' PCW . . . . . 1.091 ' H51' ' O11' ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 205' ' ' PCW . . . . . 1.022 H481 ' H48' ' B' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 206' ' ' PCW . . . . . 1.105 H171 H362 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 207' ' ' PCW . . . . . 1.039 H412 ' H12' ' C' ' 213' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 208' ' ' PCW . . . . . 1.105 H362 H171 ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 209' ' ' PCW . . . . . 1.064 H262 H222 ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 210' ' ' PCW . . . . . 1.084 ' O31' H352 ' C' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 211' ' ' PCW . . . . . 1.121 H221 H181 ' C' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 212' ' ' PCW . . . . . 1.059 H262 H451 ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 213' ' ' 17F . . . . . 1.039 ' H12' H412 ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 214' ' ' 17F . . . . . 0.978 ' H73' H351 ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 215' ' ' 17F . . . . . 1.107 ' H76' H251 ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 216' ' ' PCW . . . . . 0.952 H281 ' C40' ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 217' ' ' PCW . . . . . 1.028 H242 H242 ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 218' ' ' 17F . . . . . 1.042 H18A ' O7 ' ' C' ' 218' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 219' ' ' 17F . . . . . 1.025 ' H32' H141 ' C' ' 217' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' LEU . . . . . 0.415 ' HA ' HD13 ' A' ' 204' ' ' LEU . 95.2 mt . . . . . 0 N--CA 1.458 -0.038 0 CA-C-O 120.656 0.265 . . . . 10.0 110.847 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 5.5 tmtm? -61.22 -49.51 76.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.056 -0.52 . . . . 10.0 111.297 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 74.1 mt -68.36 -19.86 64.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.032 -0.531 . . . . 10.0 111.475 -179.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 204' ' ' LEU . . . . . 0.415 HD13 ' HA ' ' A' ' 201' ' ' LEU . 6.3 mp -86.83 -43.19 12.66 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.169 0.509 . . . . 10.0 109.94 179.675 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -61.22 -43.96 98.04 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.508 -0.769 . . . . 10.0 110.473 179.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -74.23 -22.41 59.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.848 -0.614 . . . . 10.0 111.985 -179.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 79.6 t90 -69.58 -38.2 77.25 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.375 -0.602 . . . . 10.0 109.375 179.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -60.62 -30.99 70.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.537 -0.756 . . . . 10.0 110.688 179.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 1.1 m -67.43 -24.0 65.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.214 179.127 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 24.3 t -82.06 -43.85 19.64 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 CA-C-N 116.007 -0.542 . . . . 10.0 109.704 179.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -61.6 -40.28 94.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.966 179.618 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 1.6 p -64.8 -39.83 94.23 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.667 -0.494 . . . . 10.0 109.667 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 213' ' ' THR . . . . . 0.43 ' O ' ' HG ' ' A' ' 217' ' ' LEU . 99.5 m -65.92 -45.38 82.13 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.615 -0.72 . . . . 10.0 109.62 178.532 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -59.31 -38.69 80.88 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.485 179.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 215' ' ' SER . . . . . 0.513 ' O ' ' HG3' ' A' ' 219' ' ' GLU . 57.7 m -61.94 -52.16 65.18 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.349 179.109 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 35.2 mmtt -60.06 -40.04 88.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.201 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 217' ' ' LEU . . . . . 0.569 HD11 H251 ' A' ' 405' ' ' PCW . 94.3 mt -63.49 -50.12 70.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.779 -0.646 . . . . 10.0 110.684 179.211 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 37.8 mtt180 -60.39 -35.61 76.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 10.0 111.484 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 219' ' ' GLU . . . . . 0.513 ' HG3' ' O ' ' A' ' 215' ' ' SER . 57.9 mt-10 -67.17 -46.85 72.74 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.115 178.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -67.35 -34.46 77.37 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.479 179.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 221' ' ' LEU . . . . . 0.424 ' HA ' ' HB ' ' A' ' 224' ' ' VAL . 28.0 mt -58.29 -27.67 64.28 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.832 -0.622 . . . . 10.0 111.973 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -59.0 -71.6 0.74 Allowed Glycine 0 N--CA 1.449 -0.449 0 N-CA-C 110.261 -1.136 . . . . 10.0 110.261 178.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -55.35 -32.34 81.03 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.429 2.086 . . . . 10.0 111.469 178.038 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 224' ' ' VAL . . . . . 0.438 ' O ' ' HB2' ' A' ' 228' ' ' PHE . 14.1 t -61.65 -53.02 53.95 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.207 0 N-CA-C 109.841 -0.429 . . . . 10.0 109.841 178.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 22.7 m -64.47 -36.36 83.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.39 -0.368 . . . . 10.0 110.352 179.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -62.58 -50.59 70.7 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.215 -0.448 . . . . 10.0 111.243 179.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -71.53 -33.4 69.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.964 0.412 . . . . 10.0 110.287 179.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 228' ' ' PHE . . . . . 0.438 ' HB2' ' O ' ' A' ' 224' ' ' VAL . 0.4 OUTLIER -62.76 -47.86 81.71 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.45 -0.574 . . . . 10.0 109.45 178.532 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -64.41 -37.14 86.47 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.879 -0.601 . . . . 10.0 109.839 178.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -60.72 -50.99 71.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.8 -0.636 . . . . 10.0 110.503 179.143 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 231' ' ' ASN . . . . . 0.743 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 86.8 m-20 -66.42 -35.1 79.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.189 -0.46 . . . . 10.0 110.398 179.266 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 32.5 mt -64.34 -38.12 89.92 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.145 -0.687 . . . . 10.0 109.145 178.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 233' ' ' GLU . . . . . 0.56 ' HA ' ' OG1' ' A' ' 236' ' ' THR . 5.8 mm-40 -66.74 -33.66 76.12 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 116.136 -0.484 . . . . 10.0 111.213 179.183 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 234' ' ' LYS . . . . . 0.743 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 59.4 mttt -67.92 -33.73 75.25 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.533 -0.914 . . . . 10.0 108.533 178.312 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 235' ' ' GLU . . . . . 0.454 ' O ' ' HG ' ' A' ' 239' ' ' LEU . 0.6 OUTLIER -74.2 -49.72 22.29 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.113 -0.949 . . . . 10.0 109.85 179.051 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 236' ' ' THR . . . . . 0.56 ' OG1' ' HA ' ' A' ' 233' ' ' GLU . 8.0 p -62.19 -38.44 89.12 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.26 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -62.79 -41.21 99.16 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 108.611 -0.885 . . . . 10.0 108.611 178.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -63.63 -43.83 97.36 Favored Glycine 0 N--CA 1.445 -0.738 0 N-CA-C 109.53 -1.428 . . . . 10.0 109.53 177.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 239' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 235' ' ' GLU . 84.6 mt -64.46 -29.82 70.86 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.891 0.377 . . . . 10.0 110.332 178.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 55.4 mtt180 -73.62 -41.15 63.19 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.576 -0.528 . . . . 10.0 109.576 178.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -68.96 -36.78 78.29 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.539 -0.911 . . . . 10.0 108.539 178.188 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -69.55 -27.36 65.08 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.051 -0.977 . . . . 10.0 110.092 178.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 243' ' ' MET . . . . . 0.73 ' HG3' HD12 ' A' ' 247' ' ' LEU . 56.7 ttm -63.04 -31.59 72.76 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.286 -0.635 . . . . 10.0 109.286 179.168 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 2.0 m -81.42 10.48 5.66 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 115.537 -0.756 . . . . 10.0 110.517 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 37.2 mmtm -130.3 -61.58 0.97 Allowed 'General case' 0 C--O 1.224 -0.273 0 CA-C-N 115.546 -0.752 . . . . 10.0 109.127 178.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 246' ' ' ASP . . . . . 0.614 ' O ' ' HB ' ' A' ' 250' ' ' VAL . 0.4 OUTLIER -55.17 -64.07 0.96 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.7 -0.682 . . . . 10.0 111.124 179.824 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 247' ' ' LEU . . . . . 0.73 HD12 ' HG3' ' A' ' 243' ' ' MET . 69.8 mt -72.67 -36.15 67.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.802 -0.635 . . . . 10.0 112.3 -178.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -63.06 -52.74 61.57 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 120.964 -0.294 . . . . 10.0 111.091 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -70.72 -34.36 71.82 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 121.109 -0.236 . . . . 10.0 110.86 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 250' ' ' VAL . . . . . 0.748 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 0.3 OUTLIER -63.18 -34.63 67.97 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.295 0 C-N-CA 120.871 -0.332 . . . . 10.0 110.771 179.679 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . 0.454 ' O ' HG12 ' A' ' 254' ' ' VAL . 93.0 mttt -83.41 -28.06 29.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.559 -0.291 . . . . 10.0 110.908 179.235 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -77.46 -37.99 50.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.022 0.439 . . . . 10.0 110.437 179.204 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -88.03 -17.4 31.24 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.793 -0.64 . . . . 10.0 111.653 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 254' ' ' VAL . . . . . 0.748 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 1.4 p -63.65 -24.28 35.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.898 0.38 . . . . 10.0 109.986 179.042 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 255' ' ' GLN . . . . . 0.516 ' HB2' ' CD ' ' A' ' 256' ' ' PRO . 28.1 mt-30 -62.83 -64.21 3.29 Favored Pre-proline 0 N--CA 1.45 -0.456 0 CA-C-N 115.723 -0.671 . . . . 10.0 110.709 179.517 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 256' ' ' PRO . . . . . 0.516 ' CD ' ' HB2' ' A' ' 255' ' ' GLN . 31.1 Cg_endo -65.55 -28.05 53.48 Favored 'Trans proline' 0 C--N 1.358 1.059 0 C-N-CA 121.894 1.729 . . . . 10.0 111.642 178.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -65.09 -54.29 32.27 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 109.4 -0.593 . . . . 10.0 109.4 179.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 65.0 mt -69.04 -36.57 77.86 Favored 'General case' 0 C--O 1.218 -0.556 0 CA-C-N 115.856 -0.611 . . . . 10.0 110.157 179.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 259' ' ' ASP . . . . . 0.412 ' O ' ' HB2' ' A' ' 263' ' ' LYS . 4.7 t70 -56.03 -43.65 77.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.927 0.394 . . . . 10.0 111.316 179.604 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -68.39 -50.57 52.03 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.119 -0.491 . . . . 10.0 111.048 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -67.02 -40.47 87.27 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.675 0.62 . . . . 10.0 112.675 -179.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -63.95 -41.69 97.53 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.861 -0.422 . . . . 10.0 109.861 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 263' ' ' LYS . . . . . 0.497 ' O ' ' HG3' ' A' ' 267' ' ' GLU . 2.2 ttmp? -64.31 -50.05 69.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.646 -0.706 . . . . 10.0 109.438 178.578 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 264' ' ' LYS . . . . . 0.707 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 60.0 mttt -61.07 -43.63 98.59 Favored 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 115.593 -0.731 . . . . 10.0 110.961 179.51 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 6.8 m95 -59.38 -40.94 88.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.888 0.375 . . . . 10.0 110.204 178.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 266' ' ' GLN . . . . . 0.412 ' O ' ' HG3' ' A' ' 270' ' ' GLU . 51.4 mt-30 -65.5 -44.08 88.14 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 109.406 -0.59 . . . . 10.0 109.406 178.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 267' ' ' GLU . . . . . 0.497 ' HG3' ' O ' ' A' ' 263' ' ' LYS . 38.7 mt-10 -63.59 -40.56 97.24 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.612 -0.514 . . . . 10.0 109.612 178.704 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 268' ' ' GLU . . . . . 0.545 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 20.4 mt-10 -61.5 -44.62 96.74 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.007 -0.542 . . . . 10.0 109.71 178.489 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 87.8 mmm -68.06 -37.9 81.83 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.523 -0.762 . . . . 10.0 110.628 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 270' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 266' ' ' GLN . 78.0 mt-10 -61.19 -45.77 93.22 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 109.567 -0.531 . . . . 10.0 109.567 178.435 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 96.6 mt -66.67 -38.84 87.64 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.617 -0.72 . . . . 10.0 110.029 179.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 272' ' ' TYR . . . . . 0.495 ' HD1' ' HA ' ' A' ' 272' ' ' TYR . 0.2 OUTLIER -66.7 -39.87 88.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.972 0.415 . . . . 10.0 110.905 179.16 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 273' ' ' ARG . . . . . 0.433 ' O ' HG12 ' A' ' 276' ' ' VAL . 46.9 mtt180 -73.3 -24.27 60.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 10.0 110.656 179.156 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -80.19 -44.31 20.03 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.245 -0.65 . . . . 10.0 109.245 178.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 275' ' ' LYS . . . . . 0.748 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 10.0 mptt -65.83 -37.08 85.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.553 -0.748 . . . . 10.0 110.943 179.415 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 276' ' ' VAL . . . . . 0.433 HG12 ' O ' ' A' ' 273' ' ' ARG . 1.2 p -59.48 -24.29 27.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 112.359 0.503 . . . . 10.0 112.359 -179.455 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 277' ' ' GLU . . . . . 0.522 ' HB2' ' HD3' ' A' ' 278' ' ' PRO . 7.1 mm-40 -62.22 -64.95 2.47 Favored Pre-proline 0 CA--C 1.536 0.407 0 C-N-CA 121.078 -0.249 . . . . 10.0 110.915 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 278' ' ' PRO . . . . . 0.522 ' HD3' ' HB2' ' A' ' 277' ' ' GLU . 31.9 Cg_endo -65.91 -33.27 43.18 Favored 'Trans proline' 0 C--N 1.355 0.89 0 C-N-CA 121.572 1.514 . . . . 10.0 111.085 178.563 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 279' ' ' LEU . . . . . 0.748 ' HG ' ' O ' ' A' ' 275' ' ' LYS . 10.7 mt -62.93 -44.43 96.1 Favored 'General case' 0 CA--C 1.523 -0.085 0 CA-C-N 116.556 -0.293 . . . . 10.0 110.896 179.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 -67.3 -37.45 83.38 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 109.544 -0.539 . . . . 10.0 109.544 179.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -61.98 -49.32 76.57 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.436 -0.579 . . . . 10.0 109.436 178.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -62.92 -45.35 92.92 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 116.15 -0.477 . . . . 10.0 110.23 178.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 10.3 mt -61.56 -32.81 72.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.544 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -73.61 -53.25 10.92 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.313 179.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -59.7 -46.51 88.85 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.133 0.492 . . . . 10.0 110.096 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -62.05 -43.48 99.09 Favored Glycine 0 N--CA 1.444 -0.773 0 CA-C-N 115.418 -0.81 . . . . 10.0 111.642 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -64.17 -42.2 96.81 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 110.109 -0.33 . . . . 10.0 110.109 178.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 81.7 mtt180 -57.43 -49.44 76.23 Favored 'General case' 0 C--N 1.333 -0.129 0 N-CA-C 109.853 -0.425 . . . . 10.0 109.853 179.004 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -61.58 -49.25 77.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.651 -0.704 . . . . 10.0 110.676 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 55.6 mttp -64.56 -34.03 77.29 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.181 -0.463 . . . . 10.0 111.241 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 20.7 mt -71.9 -40.19 69.04 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 109.263 -0.644 . . . . 10.0 109.263 178.255 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -36.4 83.83 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.291 -0.633 . . . . 10.0 109.291 178.375 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.41 -38.94 85.59 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.738 -0.838 . . . . 10.0 108.738 178.014 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 294' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 294' ' ' LEU . 7.9 mt -72.59 -45.55 58.58 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-N 115.681 -0.691 . . . . 10.0 110.557 179.097 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -61.07 -35.98 78.41 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.133 0.42 . . . . 10.0 112.133 -179.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -73.22 -1.21 16.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.948 0.404 . . . . 10.0 110.89 179.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . 0.471 ' O ' ' HB2' ' A' ' 301' ' ' LEU . 22.9 mmtp -121.79 -41.94 2.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.974 179.37 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 37.8 mt -61.06 -24.33 66.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.436 -0.347 . . . . 10.0 111.785 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 299' ' ' SER . . . . . 0.494 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 4.2 m -83.48 -63.78 0.25 Allowed Pre-proline 0 CA--C 1.538 0.509 0 N-CA-C 112.078 0.399 . . . . 10.0 112.078 179.679 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 300' ' ' PRO . . . . . 0.494 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 32.4 Cg_endo -64.41 -46.87 6.68 Favored 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 121.732 1.621 . . . . 10.0 112.139 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 301' ' ' LEU . . . . . 0.499 HD13 ' HG2' ' D' ' 473' ' ' LYS . 90.8 mt -71.96 -29.07 63.87 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 110.024 -0.361 . . . . 10.0 110.024 179.469 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -68.08 -47.24 60.63 Favored Glycine 0 N--CA 1.449 -0.458 0 N-CA-C 110.696 -0.962 . . . . 10.0 110.696 179.069 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -63.38 -41.98 98.82 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.98 -0.378 . . . . 10.0 109.98 178.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.02 -37.17 85.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.073 -0.512 . . . . 10.0 109.656 179.081 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 305' ' ' MET . . . . . 0.442 ' HB2' ' O ' ' A' ' 301' ' ' LEU . 11.7 tpt -62.02 -35.75 79.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.878 -0.601 . . . . 10.0 109.521 179.132 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 306' ' ' ARG . . . . . 0.477 ' O ' ' HG3' ' A' ' 310' ' ' ARG . 48.4 mtt180 -78.22 -37.26 45.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.888 -0.597 . . . . 10.0 109.941 178.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 307' ' ' ASP . . . . . 0.552 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 36.2 t70 -63.61 -45.75 88.9 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.599 -0.519 . . . . 10.0 109.599 178.599 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 308' ' ' ARG . . . . . 0.512 ' HG3' HD11 ' D' ' 469' ' ' LEU . 19.0 mmt180 -66.87 -32.58 73.94 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 108.985 -0.746 . . . . 10.0 108.985 178.166 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 309' ' ' ALA . . . . . 0.42 ' O ' HG23 ' A' ' 313' ' ' VAL . . . -64.82 -36.6 84.87 Favored 'General case' 0 CA--C 1.522 -0.126 0 N-CA-C 109.068 -0.715 . . . . 10.0 109.068 177.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 310' ' ' ARG . . . . . 0.552 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 81.5 mtt180 -59.92 -47.81 84.25 Favored 'General case' 0 C--O 1.22 -0.461 0 N-CA-C 108.878 -0.786 . . . . 10.0 108.878 178.444 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -66.92 -34.0 76.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.758 -0.655 . . . . 10.0 110.098 179.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -61.52 -50.75 71.45 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.422 -0.584 . . . . 10.0 109.422 178.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 313' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 309' ' ' ALA . 43.8 t -73.11 -30.21 30.88 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 CA-C-N 115.518 -0.765 . . . . 10.0 110.145 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 314' ' ' ASP . . . . . 0.409 ' HA ' ' NH2' ' A' ' 317' ' ' ARG . 11.9 t70 -61.51 -47.94 83.32 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.824 -0.436 . . . . 10.0 109.824 179.018 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -64.86 -38.57 91.43 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.132 -0.692 . . . . 10.0 109.132 178.318 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 28.7 mt -63.12 -51.87 64.82 Favored 'General case' 0 C--O 1.219 -0.507 0 CA-C-N 115.604 -0.725 . . . . 10.0 110.618 178.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 317' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 317' ' ' ARG . 42.1 mtm105 -59.04 -41.95 89.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.959 0.409 . . . . 10.0 110.971 179.463 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 56.0 m -64.88 -20.43 66.43 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.771 -0.65 . . . . 10.0 110.96 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 319' ' ' HIS . . . . . 0.443 ' CE1' ' HB2' ' D' ' 458' ' ' ASP . 11.7 m80 -100.3 -33.85 10.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.34 -0.391 . . . . 10.0 111.279 179.143 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 72.4 mt -66.71 -39.8 88.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.551 -0.295 . . . . 10.0 111.234 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -54.85 -56.78 23.88 Favored Pre-proline 0 CA--C 1.535 0.373 0 O-C-N 123.239 0.337 . . . . 10.0 111.793 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -66.41 -37.75 22.32 Favored 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 121.514 1.476 . . . . 10.0 111.862 178.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 10.3 m-30 -58.6 -52.5 65.41 Favored 'General case' 0 C--O 1.226 -0.168 0 CA-C-N 116.559 -0.292 . . . . 10.0 111.116 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 324' ' ' SER . . . . . 0.411 ' HA ' ' HB2' ' A' ' 327' ' ' LEU . 11.6 p -65.34 -40.37 93.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.515 -0.311 . . . . 10.0 110.932 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -61.25 -42.0 97.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.063 0.459 . . . . 10.0 110.579 179.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -77.45 -25.39 50.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.969 -0.56 . . . . 10.0 110.177 178.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . 0.63 HD23 ' HD2' ' A' ' 330' ' ' ARG . 9.4 mt -69.69 -34.16 73.55 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 109.569 -0.53 . . . . 10.0 109.569 178.326 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 69.7 mtt180 -61.05 -40.77 94.89 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 108.863 -0.791 . . . . 10.0 108.863 178.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -63.63 -40.43 96.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.456 -0.793 . . . . 10.0 109.11 178.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 330' ' ' ARG . . . . . 0.804 HH22 HG23 ' D' ' 448' ' ' VAL . 44.0 mtt180 -62.01 -51.73 66.82 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 109.04 -0.726 . . . . 10.0 109.04 178.33 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 331' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 327' ' ' LEU . 94.8 mt -56.15 -46.16 79.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.552 -0.749 . . . . 10.0 110.213 179.638 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -59.51 -48.83 80.14 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.375 179.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -60.2 -47.93 83.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.505 . . . . 10.0 110.629 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -60.86 -46.78 89.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.636 -0.711 . . . . 10.0 110.099 179.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 335' ' ' LEU . . . . . 0.589 ' O ' ' HB2' ' A' ' 339' ' ' LYS . 52.1 mt -61.21 -46.03 92.12 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 115.982 -0.554 . . . . 10.0 111.501 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -65.19 -45.59 84.2 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 123.237 0.336 . . . . 10.0 111.097 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -64.78 -51.02 64.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.489 -0.323 . . . . 10.0 110.569 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 90.8 mt -68.62 -15.36 63.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 10.0 112.055 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 339' ' ' LYS . . . . . 0.589 ' HB2' ' O ' ' A' ' 335' ' ' LEU . 70.4 tttt -85.47 -47.91 9.48 Favored 'General case' 0 CA--C 1.519 -0.224 0 N-CA-C 109.224 -0.658 . . . . 10.0 109.224 178.593 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -63.34 -49.74 72.71 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 109.199 -0.667 . . . . 10.0 109.199 178.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 341' ' ' ASN . . . . . 0.517 ' O ' ' HG3' ' A' ' 345' ' ' ARG . 14.6 t-20 -66.51 -37.07 84.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.596 -0.729 . . . . 10.0 109.281 178.144 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -61.68 -41.82 99.66 Favored Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 115.614 -0.721 . . . . 10.0 111.339 178.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -66.42 -39.86 94.27 Favored Glycine 0 N--CA 1.448 -0.512 0 N-CA-C 110.462 -1.055 . . . . 10.0 110.462 178.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -61.79 -43.25 99.23 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.942 -0.762 . . . . 10.0 108.942 178.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 345' ' ' ARG . . . . . 0.517 ' HG3' ' O ' ' A' ' 341' ' ' ASN . 32.5 mtm180 -64.9 -41.44 95.59 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 115.582 -0.736 . . . . 10.0 110.007 178.699 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 57.7 mt -61.3 -46.29 90.92 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.542 -0.299 . . . . 10.0 110.631 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -63.88 -40.66 97.05 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.07 179.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -67.61 -43.62 80.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.082 0.467 . . . . 10.0 110.492 178.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -62.5 -38.31 89.41 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.097 -0.501 . . . . 10.0 110.545 179.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -66.15 -39.66 89.98 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 120.96 0.409 . . . . 10.0 110.073 179.041 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -63.89 -47.83 79.08 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 109.023 -0.732 . . . . 10.0 109.023 178.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 15.7 mttm -61.77 -38.3 87.52 Favored 'General case' 0 N--CA 1.461 0.088 0 CA-C-N 115.582 -0.735 . . . . 10.0 110.012 178.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -62.64 -45.73 91.51 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.886 -0.413 . . . . 10.0 109.886 179.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 27.1 m -61.31 -39.29 89.92 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 109.411 -0.589 . . . . 10.0 109.411 178.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -66.19 -48.22 71.4 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 109.752 -0.462 . . . . 10.0 109.752 178.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -59.55 -37.12 77.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.827 178.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 55.8 mt -68.12 -36.15 79.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.967 0.413 . . . . 10.0 110.047 178.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 50.9 m -64.89 -44.64 88.94 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.01 179.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 359' ' ' THR . . . . . 0.651 HG22 ' HD2' ' D' ' 414' ' ' LYS . 0.0 OUTLIER -72.43 -26.75 61.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.174 0.511 . . . . 10.0 109.921 178.592 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 51.5 tp -69.7 -31.76 69.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.65 -0.704 . . . . 10.0 109.112 178.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 24.0 m -62.97 -32.77 74.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.648 -0.706 . . . . 10.0 109.42 178.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -68.55 -20.06 64.53 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.59 -0.732 . . . . 10.0 110.095 179.014 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 363' ' ' LYS . . . . . 0.778 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 85.7 mttt -93.74 -47.28 6.85 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.862 -0.608 . . . . 10.0 109.464 178.736 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -62.78 -32.04 73.13 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 113.267 0.84 . . . . 10.0 113.267 -178.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 365' ' ' LYS . . . . . 0.878 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 61.0 mttt -107.92 -73.32 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.437 0 N-CA-C 113.886 1.069 . . . . 10.0 113.886 -179.535 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 366' ' ' PRO . . . . . 0.878 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 35.0 Cg_exo -58.87 -54.8 2.43 Favored 'Trans proline' 0 C--N 1.355 0.885 0 C-N-CA 122.155 1.904 . . . . 10.0 113.571 -179.537 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 367' ' ' ALA . . . . . 0.778 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -61.91 -44.03 97.62 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 111.606 0.224 . . . . 10.0 111.606 -179.206 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 368' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 368' ' ' LEU . 1.0 OUTLIER -66.68 -35.0 79.11 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 110.334 -0.247 . . . . 10.0 110.334 179.389 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -62.05 -49.15 77.13 Favored 'General case' 0 CA--C 1.512 -0.509 0 N-CA-C 108.382 -0.97 . . . . 10.0 108.382 178.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -60.17 -38.73 84.1 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.886 -1.052 . . . . 10.0 110.301 179.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 18.4 mt -64.66 -47.56 78.01 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.016 178.402 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 372' ' ' ARG . . . . . 0.621 ' O ' ' HG ' ' A' ' 376' ' ' LEU . 87.4 mtt180 -62.15 -47.04 86.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.165 179.345 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -58.44 -33.75 70.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.613 -0.721 . . . . 10.0 111.445 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -85.36 -33.24 17.57 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.738 -0.744 . . . . 10.0 111.977 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 27.2 mt -69.27 -32.3 71.39 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.848 0.314 . . . . 10.0 111.848 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 376' ' ' LEU . . . . . 0.621 ' HG ' ' O ' ' A' ' 372' ' ' ARG . 95.2 mt -52.48 -62.21 3.57 Favored Pre-proline 0 CA--C 1.534 0.36 0 N-CA-C 112.457 0.54 . . . . 10.0 112.457 -179.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -63.86 -30.67 68.08 Favored 'Trans proline' 0 C--N 1.355 0.913 0 C-N-CA 121.728 1.619 . . . . 10.0 111.212 179.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 10.5 t -63.31 -45.85 97.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 N-CA-C 109.558 -0.534 . . . . 10.0 109.558 179.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 379' ' ' LEU . . . . . 0.468 ' O ' ' HG3' ' A' ' 383' ' ' LYS . 96.6 mt -64.25 -34.69 78.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.093 -0.503 . . . . 10.0 109.812 179.013 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 380' ' ' GLU . . . . . 0.587 ' HG3' ' O ' ' A' ' 376' ' ' LEU . 35.2 mt-10 -63.63 -46.25 86.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.314 179.299 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 1.5 p -68.57 -31.06 69.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.971 0.415 . . . . 10.0 110.176 178.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -64.25 -44.21 92.51 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 108.851 -0.796 . . . . 10.0 108.851 178.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 383' ' ' LYS . . . . . 0.468 ' HG3' ' O ' ' A' ' 379' ' ' LEU . 91.1 mttt -55.88 -50.7 69.92 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 115.62 -0.718 . . . . 10.0 109.185 178.275 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 89.9 t -56.86 -44.64 82.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.616 -0.72 . . . . 10.0 110.572 179.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 16.3 m -66.67 -36.56 82.82 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.296 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 386' ' ' PHE . . . . . 0.557 ' CE2' ' H76' ' A' ' 415' ' ' 17F . 9.8 m-85 -71.63 -47.33 55.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.511 -0.313 . . . . 10.0 111.013 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 387' ' ' LEU . . . . . 0.466 ' O ' ' HG3' ' A' ' 391' ' ' GLU . 80.1 mt -60.33 -45.42 93.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.117 -0.492 . . . . 10.0 111.705 -179.377 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 388' ' ' SER . . . . . 0.675 ' HB2' ' HE2' ' D' ' 594' ' ' LYS . 9.7 p -65.8 -37.49 86.42 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.785 0.326 . . . . 10.0 110.781 179.676 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -64.39 -42.22 96.23 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.289 0.566 . . . . 10.0 109.496 179.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 90.6 mt -60.86 -40.08 91.57 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.484 -0.78 . . . . 10.0 109.444 178.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 391' ' ' GLU . . . . . 0.466 ' HG3' ' O ' ' A' ' 387' ' ' LEU . 50.6 mt-10 -61.45 -44.82 96.44 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.951 -0.568 . . . . 10.0 109.968 178.416 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -57.78 -45.87 85.39 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.257 -0.428 . . . . 10.0 110.786 179.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 393' ' ' TYR . . . . . 0.432 ' O ' ' HB2' ' A' ' 397' ' ' LEU . 20.8 m-85 -63.56 -36.65 84.48 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.165 0.507 . . . . 10.0 110.757 179.362 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 8.6 m -75.4 -23.29 57.04 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.092 0.473 . . . . 10.0 111.522 -179.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -91.19 -39.36 12.16 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 112.489 0.552 . . . . 10.0 112.489 -179.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 396' ' ' LYS . . . . . 0.809 ' HG2' ' HB2' ' D' ' 587' ' ' ALA . 13.8 mptt -91.69 -26.4 18.65 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 113.595 0.961 . . . . 10.0 113.595 -177.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 397' ' ' LEU . . . . . 0.432 ' HB2' ' O ' ' A' ' 393' ' ' TYR . 29.2 mt -108.76 11.05 26.59 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.874 -0.331 . . . . 10.0 111.664 -179.654 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 18.5 t30 . . . . . 0 C--N 1.321 -0.652 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.096 -179.924 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 CA--C 1.52 -0.181 0 CA-C-O 121.362 0.601 . . . . 10.0 110.453 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.63 30.8 1.46 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.417 -0.811 . . . . 10.0 110.841 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 85.0 mt -62.63 -47.87 81.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.975 -0.557 . . . . 10.0 109.664 179.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 33.8 mt -64.97 -35.17 80.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.883 -0.599 . . . . 10.0 110.388 178.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -64.33 -43.43 94.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.434 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -73.32 -40.12 64.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.06 179.098 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -36.44 78.39 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.424 179.577 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -59.39 -48.04 83.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.238 179.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.89 -42.39 99.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.594 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 98.8 t -62.78 -44.1 99.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.811 -0.632 . . . . 10.0 110.416 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 24.3 m -65.95 -36.39 83.21 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.433 179.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 36.1 m -64.05 -33.13 75.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.049 -0.523 . . . . 10.0 110.945 179.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -69.33 -31.81 70.5 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.839 -0.43 . . . . 10.0 109.839 178.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -67.79 -34.13 76.16 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 109.593 -0.521 . . . . 10.0 109.593 178.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 413' ' ' SER . . . . . 0.433 ' O ' ' HG3' ' D' ' 417' ' ' GLU . 9.7 m -63.48 -45.25 91.64 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 108.3 -1.0 . . . . 10.0 108.3 178.108 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 414' ' ' LYS . . . . . 0.651 ' HD2' HG22 ' A' ' 359' ' ' THR . 23.4 mmtt -65.35 -35.37 80.77 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 115.553 -0.749 . . . . 10.0 110.165 178.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 2.2 mt -64.71 -42.73 95.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.889 -0.596 . . . . 10.0 109.609 178.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 416' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' D' ' 416' ' ' ARG . 54.7 mtt180 -67.21 -38.22 84.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.811 -0.632 . . . . 10.0 109.972 179.031 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 417' ' ' GLU . . . . . 0.433 ' HG3' ' O ' ' D' ' 413' ' ' SER . 35.1 mt-10 -62.14 -37.47 85.3 Favored 'General case' 0 C--O 1.223 -0.31 0 N-CA-C 109.181 -0.674 . . . . 10.0 109.181 178.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -70.08 -53.1 18.94 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 109.213 -0.662 . . . . 10.0 109.213 178.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 74.2 mt -45.56 -44.49 12.84 Favored 'General case' 0 C--O 1.225 -0.209 0 CA-C-N 115.145 -0.934 . . . . 10.0 112.619 -179.115 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 420' ' ' GLY . . . . . 0.486 ' O ' ' HG3' ' D' ' 424' ' ' GLN . . . -48.19 -81.86 0.04 OUTLIER Glycine 0 CA--C 1.522 0.527 0 O-C-N 123.526 0.516 . . . . 10.0 113.822 -179.61 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 421' ' ' PRO . . . . . 0.576 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 39.1 Cg_exo -58.57 -41.48 64.1 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.746 2.297 . . . . 10.0 112.618 -179.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 38.0 t -54.74 -48.94 72.19 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.108 0 N-CA-C 112.309 0.485 . . . . 10.0 112.309 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 50.5 p -69.45 -33.91 73.63 Favored 'General case' 0 CA--C 1.519 -0.227 0 C-N-CA 120.776 -0.37 . . . . 10.0 111.172 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 424' ' ' GLN . . . . . 0.486 ' HG3' ' O ' ' D' ' 420' ' ' GLY . 61.6 mt-30 -63.73 -50.69 68.14 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 110.026 -0.361 . . . . 10.0 110.026 179.257 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 425' ' ' GLU . . . . . 0.576 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 11.1 pt-20 -72.05 -23.27 61.35 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.037 -0.356 . . . . 10.0 110.037 178.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 426' ' ' PHE . . . . . 0.478 ' O ' ' HG ' ' D' ' 430' ' ' LEU . 34.9 t80 -68.94 -43.84 74.24 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 108.222 -1.029 . . . . 10.0 108.222 177.655 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 427' ' ' TRP . . . . . 0.434 ' O ' ' HG3' ' D' ' 431' ' ' GLU . 5.6 m95 -66.67 -37.64 85.19 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.323 -0.991 . . . . 10.0 108.323 178.05 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 428' ' ' ASP . . . . . 0.421 ' O ' ' HG3' ' D' ' 432' ' ' LYS . 30.1 t70 -63.01 -36.74 84.58 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.339 -0.846 . . . . 10.0 108.976 177.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -72.89 -39.71 66.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.533 -0.758 . . . . 10.0 109.145 178.06 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 430' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' D' ' 426' ' ' PHE . 65.3 mt -56.77 -43.49 80.86 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 115.656 -0.702 . . . . 10.0 109.937 179.12 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 431' ' ' GLU . . . . . 0.434 ' HG3' ' O ' ' D' ' 427' ' ' TRP . 47.9 mt-10 -62.32 -39.27 92.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.942 179.366 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 432' ' ' LYS . . . . . 0.421 ' HG3' ' O ' ' D' ' 428' ' ' ASP . 48.7 mttp -63.76 -41.48 97.99 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.173 -0.677 . . . . 10.0 109.173 178.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -68.97 -50.26 50.65 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 114.998 -1.001 . . . . 10.0 111.314 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 2.7 p -59.5 -47.35 85.85 Favored 'General case' 0 CA--C 1.519 -0.244 0 C-N-CA 121.141 -0.224 . . . . 10.0 110.507 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 435' ' ' GLU . . . . . 0.642 ' O ' ' HG3' ' D' ' 439' ' ' GLN . 16.0 mm-40 -62.09 -47.4 84.8 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 121.045 -0.262 . . . . 10.0 110.401 178.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 436' ' ' GLY . . . . . 0.469 ' O ' ' HG3' ' D' ' 440' ' ' GLU . . . -57.3 -50.34 65.45 Favored Glycine 0 C--N 1.333 0.411 0 N-CA-C 111.105 -0.798 . . . . 10.0 111.105 179.065 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 96.3 mt -62.3 -37.86 87.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.582 0.229 . . . . 10.0 110.396 178.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 72.1 mtt180 -63.17 -37.51 87.49 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.373 -0.376 . . . . 10.0 110.672 179.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 439' ' ' GLN . . . . . 0.642 ' HG3' ' O ' ' D' ' 435' ' ' GLU . 89.4 mt-30 -63.59 -38.48 91.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.166 0.508 . . . . 10.0 109.638 178.717 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 440' ' ' GLU . . . . . 0.469 ' HG3' ' O ' ' D' ' 436' ' ' GLY . 35.0 mt-10 -74.71 -44.64 49.02 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.02 -0.536 . . . . 10.0 109.675 178.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 90.9 mmm -60.3 -38.15 82.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.299 -0.864 . . . . 10.0 112.908 -178.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 2.4 p -60.74 -51.31 69.91 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.93 0.395 . . . . 10.0 110.078 179.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 41.6 tttp -68.08 -39.77 82.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.159 179.243 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -59.61 -54.09 50.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 10.0 110.805 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 82.5 mt -63.85 -48.9 74.89 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.318 0.488 . . . . 10.0 112.318 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -61.11 -42.91 99.4 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-O 120.673 0.273 . . . . 10.0 110.749 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 447' ' ' GLU . . . . . 0.554 ' HB3' HH21 ' A' ' 330' ' ' ARG . 21.5 tt0 -68.39 -39.31 81.74 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.542 -0.54 . . . . 10.0 109.542 178.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 448' ' ' VAL . . . . . 0.804 HG23 HH22 ' A' ' 330' ' ' ARG . 2.1 t -60.57 -37.46 75.29 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.288 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.03 178.674 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 449' ' ' LYS . . . . . 0.447 ' O ' ' HG3' ' D' ' 453' ' ' GLN . 63.8 mttt -61.38 -32.65 72.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.181 0.515 . . . . 10.0 110.166 178.418 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -91.32 -4.07 56.2 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.498 179.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 451' ' ' LYS . . . . . 0.428 ' HG2' ' O ' ' D' ' 447' ' ' GLU . 35.3 mmtm -99.68 -39.56 8.21 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.895 0.378 . . . . 10.0 110.241 179.468 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 71.8 t -62.97 -35.75 72.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.151 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 453' ' ' GLN . . . . . 0.555 ' HB2' ' HD3' ' D' ' 454' ' ' PRO . 71.4 mt-30 -57.97 -62.48 5.4 Favored Pre-proline 0 CA--C 1.534 0.344 0 CA-C-N 116.658 -0.246 . . . . 10.0 111.6 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 454' ' ' PRO . . . . . 0.555 ' HD3' ' HB2' ' D' ' 453' ' ' GLN . 35.5 Cg_endo -65.74 -26.65 52.81 Favored 'Trans proline' 0 C--N 1.36 1.175 0 C-N-CA 121.609 1.539 . . . . 10.0 111.709 179.587 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 455' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -67.39 -50.38 59.87 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.595 -0.52 . . . . 10.0 109.595 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 456' ' ' LEU . . . . . 0.417 ' O ' ' HB2' ' D' ' 460' ' ' GLN . 32.2 mt -65.66 -35.52 81.02 Favored 'General case' 0 C--O 1.217 -0.608 0 CA-C-N 116.065 -0.516 . . . . 10.0 109.682 178.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -65.5 -51.7 58.11 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.101 -0.499 . . . . 10.0 110.27 179.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 458' ' ' ASP . . . . . 0.443 ' HB2' ' CE1' ' A' ' 319' ' ' HIS . 6.8 t70 -59.38 -43.86 92.83 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.368 -0.833 . . . . 10.0 110.848 179.652 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -72.34 -46.63 54.69 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.804 -0.634 . . . . 10.0 112.163 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 460' ' ' GLN . . . . . 0.417 ' HB2' ' O ' ' D' ' 456' ' ' LEU . 36.9 mt-30 -58.83 -39.43 81.22 Favored 'General case' 0 CA--C 1.515 -0.38 0 O-C-N 122.987 0.179 . . . . 10.0 110.881 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 461' ' ' LYS . . . . . 0.463 ' O ' ' HG3' ' D' ' 465' ' ' GLU . 21.6 mttt -62.95 -41.06 99.4 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.932 -0.395 . . . . 10.0 109.932 178.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 18.6 mtmm -68.21 -38.04 81.5 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.627 -0.509 . . . . 10.0 109.627 178.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 463' ' ' TRP . . . . . 0.604 ' CD1' ' H77' ' D' ' 629' ' ' 17F . 54.8 m0 -65.57 -43.9 88.38 Favored 'General case' 0 CA--C 1.516 -0.335 0 N-CA-C 109.101 -0.703 . . . . 10.0 109.101 178.465 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -59.19 -48.32 82.06 Favored 'General case' 0 CA--C 1.516 -0.361 0 N-CA-C 109.124 -0.695 . . . . 10.0 109.124 178.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 465' ' ' GLU . . . . . 0.507 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 46.6 mt-10 -54.84 -57.56 11.11 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 115.721 -0.672 . . . . 10.0 110.47 179.607 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -59.93 -38.25 81.82 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.057 -0.52 . . . . 10.0 111.872 -179.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 42.2 ttm -65.71 -47.37 75.58 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.031 0.443 . . . . 10.0 110.926 179.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 76.9 mt-10 -71.24 -27.73 63.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.409 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 469' ' ' LEU . . . . . 0.512 HD11 ' HG3' ' A' ' 308' ' ' ARG . 69.2 mt -74.2 -29.33 61.69 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 108.832 -0.803 . . . . 10.0 108.832 177.553 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 2.0 m-30 -64.49 -30.95 71.98 Favored 'General case' 0 N--CA 1.461 0.091 0 N-CA-C 109.292 -0.633 . . . . 10.0 109.292 178.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 471' ' ' ARG . . . . . 0.401 ' HA ' ' HG3' ' D' ' 475' ' ' GLU . 93.4 mtt180 -75.86 -11.74 60.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.796 -0.638 . . . . 10.0 110.053 179.245 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -117.71 9.52 13.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.189 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 473' ' ' LYS . . . . . 0.499 ' HG2' HD13 ' A' ' 301' ' ' LEU . 78.0 mttt -135.26 -65.53 0.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.647 -0.706 . . . . 10.0 110.766 179.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 87.1 t -62.93 -47.21 93.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.451 -0.341 . . . . 10.0 111.089 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 475' ' ' GLU . . . . . 0.401 ' HG3' ' HA ' ' D' ' 471' ' ' ARG . 9.8 mm-40 -56.44 -58.81 14.6 Favored Pre-proline 0 CA--C 1.537 0.475 0 N-CA-C 112.406 0.521 . . . . 10.0 112.406 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -63.56 -37.81 45.4 Favored 'Trans proline' 0 C--N 1.356 0.927 0 C-N-CA 121.737 1.625 . . . . 10.0 111.771 178.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 477' ' ' LEU . . . . . 0.494 ' HB2' ' O ' ' D' ' 473' ' ' LYS . 7.1 mt -65.01 -35.01 79.8 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 109.706 -0.479 . . . . 10.0 109.706 178.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 478' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' D' ' 478' ' ' ARG . 0.4 OUTLIER -67.39 -39.52 85.62 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.016 -0.735 . . . . 10.0 109.016 178.519 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -63.05 -42.01 99.63 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.128 -0.693 . . . . 10.0 109.128 178.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.91 -37.88 79.22 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 115.389 -0.823 . . . . 10.0 109.824 178.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 15.2 mt -66.95 -36.51 82.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.858 -0.61 . . . . 10.0 109.725 178.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.0 -44.73 83.97 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.991 -0.744 . . . . 10.0 108.991 178.473 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -66.57 -41.02 89.24 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 109.327 -0.62 . . . . 10.0 109.327 178.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -62.47 -40.12 98.69 Favored Glycine 0 N--CA 1.448 -0.527 0 N-CA-C 110.04 -1.224 . . . . 10.0 110.04 177.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -65.44 -39.32 91.93 Favored 'General case' 0 CA--C 1.516 -0.341 0 N-CA-C 109.18 -0.674 . . . . 10.0 109.18 178.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 73.6 mtt180 -62.94 -40.83 98.84 Favored 'General case' 0 CA--C 1.52 -0.176 0 N-CA-C 109.31 -0.626 . . . . 10.0 109.31 178.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -66.5 -48.79 68.7 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-N 115.631 -0.713 . . . . 10.0 109.389 178.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -61.5 -39.9 92.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.546 179.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 30.7 mt -64.18 -39.55 94.23 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.438 -0.578 . . . . 10.0 109.438 178.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 35.5 t60 -64.56 -43.24 94.55 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.239 -1.023 . . . . 10.0 108.239 178.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -58.61 -46.65 86.56 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 115.593 -0.73 . . . . 10.0 109.187 177.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 87.4 mt -63.52 -40.19 96.4 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-N 115.472 -0.785 . . . . 10.0 111.261 179.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -59.95 -35.3 74.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.155 0.503 . . . . 10.0 110.114 178.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -78.07 11.15 2.42 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.67 -0.695 . . . . 10.0 110.667 178.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 495' ' ' LYS . . . . . 0.739 ' HE3' HD22 ' A' ' 279' ' ' LEU . 11.6 mttp -132.11 -45.0 0.93 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.559 179.194 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 496' ' ' LEU . . . . . 0.513 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 97.1 mt -60.95 -32.44 71.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.987 -0.551 . . . . 10.0 111.649 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 497' ' ' SER . . . . . 0.412 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 15.9 m -78.17 -62.64 0.5 Allowed Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 116.385 -0.37 . . . . 10.0 111.926 179.086 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 498' ' ' PRO . . . . . 0.412 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 30.0 Cg_endo -63.23 -59.78 0.21 Allowed 'Trans proline' 0 C--N 1.356 0.96 0 C-N-CA 121.985 1.79 . . . . 10.0 112.451 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 499' ' ' LEU . . . . . 0.438 ' HB2' ' O ' ' D' ' 495' ' ' LYS . 17.4 mt -65.16 -32.42 74.1 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-N 116.771 -0.195 . . . . 10.0 110.948 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 500' ' ' GLY . . . . . 0.513 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -63.5 -48.12 80.99 Favored Glycine 0 N--CA 1.445 -0.755 0 N-CA-C 110.993 -0.843 . . . . 10.0 110.993 178.681 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -67.89 -35.65 78.86 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.13 -0.693 . . . . 10.0 109.13 178.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 502' ' ' GLU . . . . . 0.751 ' HG2' ' HE ' ' D' ' 506' ' ' ARG . 23.5 tt0 -63.54 -47.42 81.68 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 115.522 -0.763 . . . . 10.0 110.096 179.044 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 503' ' ' MET . . . . . 0.522 ' HA ' ' HD2' ' D' ' 506' ' ' ARG . 84.0 mmm -59.49 -38.13 80.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.004 0.431 . . . . 10.0 110.072 179.007 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 504' ' ' ARG . . . . . 0.511 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 81.3 mtt180 -66.54 -40.8 89.28 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.782 -0.644 . . . . 10.0 109.57 178.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -68.28 -37.33 80.58 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.126 -0.488 . . . . 10.0 109.801 178.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 506' ' ' ARG . . . . . 0.751 ' HE ' ' HG2' ' D' ' 502' ' ' GLU . 50.1 mtt180 -63.24 -43.58 97.66 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 107.783 -1.191 . . . . 10.0 107.783 177.569 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -60.17 -40.54 90.3 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.124 -0.944 . . . . 10.0 109.462 178.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 508' ' ' ARG . . . . . 0.511 ' HG3' ' O ' ' D' ' 504' ' ' ARG . 83.5 mtt180 -58.54 -50.33 74.18 Favored 'General case' 0 C--O 1.222 -0.368 0 N-CA-C 108.959 -0.756 . . . . 10.0 108.959 178.374 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 509' ' ' ALA . . . . . 0.707 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -58.54 -36.15 73.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.537 -0.756 . . . . 10.0 111.913 -179.71 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 510' ' ' HIS . . . . . 0.445 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 37.1 m-70 -76.67 -49.49 16.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.656 -0.247 . . . . 10.0 110.788 179.497 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 511' ' ' VAL . . . . . 0.479 ' O ' ' HG3' ' D' ' 515' ' ' ARG . 76.4 t -63.3 -42.75 97.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.511 -0.313 . . . . 10.0 110.676 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 512' ' ' ASP . . . . . 0.699 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 16.7 t70 -60.89 -36.37 79.07 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.157 0.503 . . . . 10.0 109.781 179.354 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -69.66 -44.15 71.13 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.637 -0.875 . . . . 10.0 108.637 178.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 514' ' ' LEU . . . . . 0.481 ' HA ' ' HB2' ' D' ' 517' ' ' HIS . 92.1 mt -60.1 -28.47 67.87 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 116.103 -0.498 . . . . 10.0 110.799 179.045 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 515' ' ' ARG . . . . . 0.699 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 79.7 mtt180 -66.42 -29.07 69.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.945 -0.57 . . . . 10.0 110.237 178.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -103.86 -6.49 21.32 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 115.753 -0.658 . . . . 10.0 110.733 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 517' ' ' HIS . . . . . 0.481 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 25.0 m170 -102.09 -55.68 2.43 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.0 -0.545 . . . . 10.0 111.461 -179.672 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 86.4 mt -78.35 -54.77 5.83 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.497 0.554 . . . . 10.0 112.497 -178.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 519' ' ' ALA . . . . . 0.626 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -48.78 -59.43 6.26 Favored Pre-proline 0 CA--C 1.537 0.462 0 N-CA-C 113.796 1.036 . . . . 10.0 113.796 -178.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 520' ' ' PRO . . . . . 0.626 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 45.1 Cg_exo -60.63 -37.28 80.77 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 121.725 1.617 . . . . 10.0 111.057 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -65.37 -37.24 86.43 Favored 'General case' 0 C--O 1.224 -0.276 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.265 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 522' ' ' SER . . . . . 0.4 ' O ' ' HG3' ' D' ' 526' ' ' ARG . 13.6 m -62.62 -37.59 86.91 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.097 0.475 . . . . 10.0 110.072 179.652 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -66.68 -38.83 87.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.875 -0.602 . . . . 10.0 109.649 179.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -70.83 -36.75 73.04 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.145 -0.687 . . . . 10.0 109.145 178.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 525' ' ' LEU . . . . . 0.481 HD23 ' HD2' ' D' ' 528' ' ' ARG . 66.2 mt -62.32 -34.59 76.92 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 109.232 -0.655 . . . . 10.0 109.232 178.264 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 526' ' ' ARG . . . . . 0.4 ' HG3' ' O ' ' D' ' 522' ' ' SER . 63.7 mtt180 -63.52 -40.63 97.53 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.546 -0.538 . . . . 10.0 109.546 178.395 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -63.16 -38.85 92.78 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.844 -0.617 . . . . 10.0 109.703 178.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 528' ' ' ARG . . . . . 0.589 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 96.8 mtt180 -71.4 -45.3 63.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.638 -0.71 . . . . 10.0 109.586 179.005 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 41.4 mt -62.89 -34.67 77.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.784 -0.644 . . . . 10.0 110.425 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -64.43 -38.18 90.12 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.22 -0.659 . . . . 10.0 109.22 178.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -67.62 -43.6 80.01 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.103 -0.703 . . . . 10.0 109.103 178.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 532' ' ' ARG . . . . . 0.421 ' O ' ' HG ' ' D' ' 536' ' ' LEU . 10.3 ttm180 -64.35 -40.66 96.31 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.711 -0.677 . . . . 10.0 109.633 178.418 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 16.0 mt -64.17 -38.72 92.09 Favored 'General case' 0 C--O 1.223 -0.291 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 178.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 534' ' ' GLU . . . . . 0.702 ' HA ' ' HE3' ' D' ' 537' ' ' LYS . 30.2 tt0 -63.15 -41.04 99.21 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.982 -0.747 . . . . 10.0 108.982 178.256 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -66.48 -41.68 88.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.547 -0.751 . . . . 10.0 109.491 178.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 536' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' D' ' 532' ' ' ARG . 49.2 mt -68.07 -24.28 65.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.718 179.143 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 537' ' ' LYS . . . . . 0.702 ' HE3' ' HA ' ' D' ' 534' ' ' GLU . 39.8 mtmt -81.1 -43.25 19.72 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.098 -0.704 . . . . 10.0 109.098 178.219 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -66.01 -48.58 70.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.774 -0.648 . . . . 10.0 109.563 179.255 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -75.19 -31.34 60.92 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.902 -0.59 . . . . 10.0 109.866 179.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -63.22 -52.58 46.19 Favored Glycine 0 N--CA 1.45 -0.431 0 N-CA-C 111.135 -0.786 . . . . 10.0 111.135 179.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -60.46 -38.71 95.25 Favored Glycine 0 N--CA 1.449 -0.479 0 N-CA-C 110.938 -0.865 . . . . 10.0 110.938 178.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -64.53 -50.26 68.04 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.8 -0.445 . . . . 10.0 109.8 178.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -59.85 -40.47 88.67 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 116.163 -0.471 . . . . 10.0 110.157 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 79.6 mt -64.27 -42.34 96.49 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-O 120.979 0.418 . . . . 10.0 109.881 179.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -62.01 -39.46 92.36 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.476 -0.564 . . . . 10.0 109.476 179.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -70.7 -44.16 67.49 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.565 -0.743 . . . . 10.0 109.854 178.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -59.67 -49.51 77.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.598 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 38.0 m-70 -64.71 -38.94 92.7 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.952 0.406 . . . . 10.0 110.659 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -66.72 -47.46 72.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.137 0.494 . . . . 10.0 109.939 179.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 550' ' ' LYS . . . . . 0.492 ' O ' ' HB2' ' D' ' 554' ' ' HIS . 0.0 OUTLIER -67.7 -23.02 65.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.723 -0.671 . . . . 10.0 110.477 179.501 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -68.13 -42.53 80.04 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.397 -0.594 . . . . 10.0 109.397 178.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 2.6 m -68.16 -41.11 82.01 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.784 -0.644 . . . . 10.0 109.297 178.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -63.23 -41.55 99.11 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 109.008 -0.738 . . . . 10.0 109.008 178.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 554' ' ' HIS . . . . . 0.492 ' HB2' ' O ' ' D' ' 550' ' ' LYS . 2.9 t60 -65.29 -41.25 94.31 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 115.556 -0.747 . . . . 10.0 109.083 178.44 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 30.1 tp -60.34 -47.28 86.71 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.607 -0.724 . . . . 10.0 110.698 179.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 2.9 p -64.72 -40.6 95.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.421 -0.354 . . . . 10.0 111.411 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 1.5 p -70.58 -33.4 71.04 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.845 0.355 . . . . 10.0 110.911 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 38.1 mt -70.36 -51.84 26.9 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.243 178.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 559' ' ' SER . . . . . 0.421 ' HA ' ' HB3' ' D' ' 562' ' ' ALA . 12.5 p -65.33 -33.97 77.23 Favored 'General case' 0 C--N 1.332 -0.155 0 O-C-N 123.265 0.353 . . . . 10.0 110.625 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -52.67 -37.55 58.97 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.144 178.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 36.2 mttp -99.15 -33.91 10.58 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.01 -0.541 . . . . 10.0 111.818 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 562' ' ' ALA . . . . . 0.421 ' HB3' ' HA ' ' D' ' 559' ' ' SER . . . -55.37 -37.66 67.81 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 111.857 0.317 . . . . 10.0 111.857 -179.587 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -65.5 -63.3 3.52 Favored Pre-proline 0 CA--C 1.539 0.521 0 N-CA-C 111.953 0.353 . . . . 10.0 111.953 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_endo -63.14 -35.25 65.55 Favored 'Trans proline' 0 C--N 1.354 0.844 0 C-N-CA 122.133 1.889 . . . . 10.0 112.085 179.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -63.58 -49.05 74.91 Favored 'General case' 0 CA--C 1.52 -0.196 0 C-N-CA 121.239 -0.184 . . . . 10.0 110.753 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 566' ' ' LEU . . . . . 0.467 HD23 ' HA ' ' D' ' 566' ' ' LEU . 11.5 mt -63.16 -39.89 95.97 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.783 -0.367 . . . . 10.0 110.179 179.565 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 567' ' ' GLU . . . . . 0.439 ' O ' ' HG3' ' D' ' 571' ' ' GLN . 6.7 mm-40 -62.4 -56.36 18.99 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.807 -0.633 . . . . 10.0 109.935 178.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -60.19 -45.18 94.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.493 -0.776 . . . . 10.0 111.761 -179.295 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 36.3 mt -58.23 -44.06 88.04 Favored 'General case' 0 C--O 1.223 -0.307 0 CA-C-N 116.506 -0.316 . . . . 10.0 110.638 179.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 570' ' ' ARG . . . . . 0.46 ' O ' ' HG ' ' D' ' 574' ' ' LEU . 62.7 mtt180 -69.14 -39.18 78.99 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.873 0.368 . . . . 10.0 110.09 178.713 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 571' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' D' ' 567' ' ' GLU . 72.2 mt-30 -65.56 -23.71 66.92 Favored 'General case' 0 C--O 1.228 -0.077 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.545 179.012 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -93.35 -36.9 5.76 Favored Glycine 0 N--CA 1.443 -0.856 0 N-CA-C 111.108 -0.797 . . . . 10.0 111.108 178.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 24.6 mt -60.59 -41.41 94.65 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 122.08 0.152 . . . . 10.0 111.34 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 574' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' D' ' 570' ' ' ARG . 94.9 mt -54.22 -62.09 4.46 Favored Pre-proline 0 CA--C 1.538 0.519 0 N-CA-C 113.171 0.804 . . . . 10.0 113.171 -179.562 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_endo -62.97 -37.27 54.7 Favored 'Trans proline' 0 C--N 1.355 0.887 0 C-N-CA 122.19 1.926 . . . . 10.0 112.08 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 34.6 t -64.77 -43.11 96.49 Favored 'Isoleucine or valine' 0 C--O 1.231 0.09 0 CA-C-N 116.433 -0.349 . . . . 10.0 110.463 179.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 577' ' ' LEU . . . . . 0.406 ' O ' ' HG3' ' D' ' 581' ' ' LYS . 29.9 mt -64.05 -37.85 88.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.449 -0.341 . . . . 10.0 110.486 179.076 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -62.24 -45.54 92.87 Favored 'General case' 0 C--N 1.334 -0.095 0 N-CA-C 109.406 -0.59 . . . . 10.0 109.406 178.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 39.8 m -65.37 -38.79 91.09 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.496 -0.557 . . . . 10.0 109.496 178.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -61.82 -40.64 95.98 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.533 -0.543 . . . . 10.0 109.533 178.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 581' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' D' ' 577' ' ' LEU . 92.9 mttt -61.02 -40.48 93.73 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.174 -0.466 . . . . 10.0 109.801 178.444 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 53.1 t -59.91 -50.23 80.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.469 179.222 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.71 -32.05 72.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 10.0 111.019 179.39 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 584' ' ' PHE . . . . . 0.535 ' O ' ' HG ' ' D' ' 588' ' ' LEU . 17.8 t80 -69.14 -51.12 41.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.881 -0.599 . . . . 10.0 110.137 179.637 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 82.1 mt -59.65 -49.97 75.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.506 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 9.1 p -59.85 -36.1 76.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.702 0.287 . . . . 10.0 111.284 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 587' ' ' ALA . . . . . 0.809 ' HB2' ' HG2' ' A' ' 396' ' ' LYS . . . -67.1 -49.45 64.95 Favored 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 109.87 -0.419 . . . . 10.0 109.87 178.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 588' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' D' ' 584' ' ' PHE . 80.3 mt -57.59 -48.33 79.67 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 115.896 -0.593 . . . . 10.0 111.0 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -57.38 -51.01 71.14 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 116.266 -0.425 . . . . 10.0 111.442 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -66.95 -38.39 86.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.672 -0.24 . . . . 10.0 111.577 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -61.73 -38.96 89.87 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-O 120.786 0.327 . . . . 10.0 110.27 178.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 29.6 m -64.46 -31.0 72.04 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.156 0.503 . . . . 10.0 110.571 179.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -81.51 -35.87 29.88 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.647 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 594' ' ' LYS . . . . . 0.675 ' HE2' ' HB2' ' A' ' 388' ' ' SER . 5.1 mptt -74.23 -37.82 63.71 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.135 0.493 . . . . 10.0 110.994 179.294 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 55.4 mt -102.73 54.22 0.78 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.004 -0.544 . . . . 10.0 109.878 179.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.283 -0.417 . . . . 10.0 110.301 179.656 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 C--O 1.234 0.26 0 CA-C-O 120.748 0.308 . . . . 10.0 110.66 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . 0.436 ' HB ' ' CE2' ' B' ' 4' ' ' TYR . 0.2 OUTLIER -67.01 131.54 46.07 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 116.275 -0.421 . . . . 10.0 110.829 179.653 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -96.21 135.96 37.32 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.846 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' TYR . . . . . 0.436 ' CE2' ' HB ' ' B' ' 2' ' ' THR . 94.7 m-85 -131.27 124.43 30.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.259 -0.428 . . . . 10.0 110.252 179.397 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -88.91 105.61 17.87 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.186 179.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.521 HD11 HD13 ' B' ' 53' ' ' LEU . 17.7 mt -104.97 116.96 32.85 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.829 -178.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.468 HG11 ' HD2' ' B' ' 71' ' ' TYR . 46.2 t -107.11 129.57 60.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.324 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.468 HG12 ' HD2' ' B' ' 16' ' ' LYS . 11.5 t -91.86 109.79 21.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.052 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 16.4 m -110.29 147.19 14.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.104 0.478 . . . . 10.0 111.145 -179.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 150.82 172.94 20.41 Favored Glycine 0 N--CA 1.445 -0.727 0 N-CA-C 110.946 -0.862 . . . . 10.0 110.946 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.27 -173.36 1.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.043 0.449 . . . . 10.0 111.451 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.29 150.88 19.76 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.116 0.484 . . . . 10.0 111.215 -179.665 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . 0.974 ' HA2' H5'1 ' B' ' 201' ' ' GSP . . . 71.22 20.14 77.87 Favored Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.248 -0.887 . . . . 10.0 113.601 179.374 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 26.8 m -98.76 -14.16 7.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.982 0.391 . . . . 10.0 111.875 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . 0.669 ' HA2' ' C8 ' ' B' ' 201' ' ' GSP . . . 113.26 23.31 5.23 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.921 -0.657 . . . . 10.0 113.05 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.468 ' HD2' HG12 ' B' ' 8' ' ' VAL . 1.5 mmmm -63.04 -52.41 62.94 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.075 0.464 . . . . 10.0 110.983 -179.591 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . 0.541 ' HB2' ' O1A' ' B' ' 201' ' ' GSP . 0.6 OUTLIER -74.05 -40.77 62.61 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.587 -179.807 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.42 -49.97 72.99 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.877 -0.601 . . . . 10.0 111.997 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 2.9 tp -60.47 -49.39 77.75 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.827 0.346 . . . . 10.0 110.959 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 7.4 m -61.75 -45.82 92.26 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.86 -0.609 . . . . 10.0 112.068 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.43 -34.85 69.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.789 0.328 . . . . 10.0 111.078 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . 0.707 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 7.0 mm-40 -65.91 -23.44 66.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.142 0.496 . . . . 10.0 111.062 179.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 36.8 tp -91.95 -39.67 11.56 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.828 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.467 HD11 HD12 ' B' ' 55' ' ' ILE . 51.0 mm -77.78 -64.31 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.046 -0.525 . . . . 10.0 112.2 -179.17 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -89.36 -10.54 46.25 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.398 -0.365 . . . . 10.0 111.71 -178.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . 0.707 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 40.5 m-80 63.42 35.73 11.93 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 114.206 1.187 . . . . 10.0 114.206 178.45 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -142.1 160.0 41.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.725 -0.216 . . . . 10.0 110.76 178.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' PHE . . . . . 0.421 ' HB2' ' NE2' ' B' ' 22' ' ' GLN . 63.5 t80 -104.34 126.65 51.62 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.227 0.537 . . . . 10.0 112.25 -178.656 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 3.3 m -90.85 125.19 43.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.511 -0.768 . . . . 10.0 109.725 178.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.15 -11.5 32.64 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.334 -0.393 . . . . 10.0 110.6 -179.646 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -93.5 138.42 31.81 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.171 -0.468 . . . . 10.0 110.243 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . 1.085 ' HD1' H5'2 ' B' ' 201' ' ' GSP . 82.6 t80 -75.71 120.72 21.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.489 -0.323 . . . . 10.0 111.224 -179.487 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . 0.439 ' HA ' ' HD2' ' B' ' 34' ' ' PRO . 25.9 t0 -127.34 101.06 25.37 Favored Pre-proline 0 C--O 1.237 0.437 0 CA-C-O 120.9 0.381 . . . . 10.0 111.647 179.471 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . 0.494 ' HA ' ' S1G' ' B' ' 201' ' ' GSP . 40.2 Cg_endo -68.42 106.38 1.41 Allowed 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 122.788 2.326 . . . . 10.0 112.056 179.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.45 ' CG2' ' HB2' ' B' ' 38' ' ' ASP . 2.0 m -88.41 139.03 30.9 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.796 -0.638 . . . . 10.0 110.447 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.535 ' HA ' ' HB2' ' B' ' 59' ' ' ALA . 47.2 mm -93.12 -49.45 12.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 109.117 -0.697 . . . . 10.0 109.117 178.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -169.46 87.72 0.16 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.746 -0.661 . . . . 10.0 109.875 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . 0.45 ' HB2' ' CG2' ' B' ' 35' ' ' THR . 7.6 t0 -107.82 152.77 23.94 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.85 0.357 . . . . 10.0 110.357 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -126.41 136.13 52.29 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.218 -0.447 . . . . 10.0 111.246 -179.158 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -131.85 133.38 44.59 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.2 -0.455 . . . . 10.0 110.287 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.485 ' HD2' ' OD2' ' B' ' 54' ' ' ASP . 0.6 OUTLIER -113.46 139.37 48.98 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.446 -0.343 . . . . 10.0 110.603 -179.675 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 65.8 tttp -157.8 126.41 5.6 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.102 -0.499 . . . . 10.0 111.117 179.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . 0.445 ' HB3' HE21 ' B' ' 43' ' ' GLN . 5.4 tt0 -93.66 126.48 38.85 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.069 -0.514 . . . . 10.0 109.772 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 2.7 m -139.19 161.36 28.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.748 0.308 . . . . 10.0 111.032 -179.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 36.3 t -98.03 103.97 15.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.228 -0.656 . . . . 10.0 109.228 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 60.0 mt -115.27 127.78 72.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.181 -0.463 . . . . 10.0 111.011 -179.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . 0.567 ' OD1' ' HD2' ' B' ' 161' ' ' ARG . 55.3 m-20 68.61 8.3 6.62 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.827 -0.624 . . . . 10.0 111.842 179.352 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.59 -1.9 45.85 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.736 -0.745 . . . . 10.0 111.837 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -120.56 131.06 54.48 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.589 0.233 . . . . 10.0 110.583 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -74.59 131.0 40.59 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.049 -0.723 . . . . 10.0 109.049 179.441 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 50.0 m -136.0 150.04 49.07 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.04 0.448 . . . . 10.0 111.506 -179.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 53.4 tp -100.87 112.35 24.76 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.333 -0.988 . . . . 10.0 108.333 178.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . 0.521 HD13 HD11 ' B' ' 6' ' ' LEU . 43.9 mt -96.23 127.29 42.1 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.384 0.612 . . . . 10.0 112.397 -178.491 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . 0.485 ' OD2' ' HD2' ' B' ' 41' ' ' ARG . 23.0 t70 -101.21 97.36 7.89 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.142 -0.936 . . . . 10.0 108.477 178.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' ILE . . . . . 0.467 HD12 HD11 ' B' ' 24' ' ' ILE . 5.7 mt -89.41 133.28 31.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.567 -178.375 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 29.1 tp -123.17 104.23 9.04 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.286 0.565 . . . . 10.0 111.447 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -89.13 98.51 11.8 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.755 -0.831 . . . . 10.0 108.755 179.355 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.71 166.5 11.62 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.517 0.562 . . . . 10.0 112.517 -178.376 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' ALA . . . . . 0.535 ' HB2' ' HA ' ' B' ' 36' ' ' ILE . . . -65.18 154.16 38.85 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.697 -0.683 . . . . 10.0 112.2 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -135.29 33.58 2.42 Favored Glycine 0 N--CA 1.448 -0.545 0 N-CA-C 110.824 -0.91 . . . . 10.0 110.824 179.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -104.71 18.53 22.09 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.59 0.233 . . . . 10.0 111.344 -179.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.411 ' HB3' ' H ' ' B' ' 63' ' ' GLU . 1.0 OUTLIER 65.05 -158.98 0.29 Allowed 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.801 -0.636 . . . . 10.0 112.163 179.279 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.411 ' H ' ' HB3' ' B' ' 62' ' ' GLU . 0.1 OUTLIER 73.44 -56.08 0.66 Allowed 'General case' 0 N--CA 1.464 0.248 0 O-C-N 123.783 0.677 . . . . 10.0 112.396 179.671 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' TYR . . . . . 0.659 ' HB3' ' HB3' ' B' ' 67' ' ' MET . 27.4 m-85 -64.79 93.0 0.1 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.777 0.658 . . . . 10.0 112.777 -178.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 5.4 m -94.74 -48.88 5.86 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.946 -0.57 . . . . 10.0 109.642 179.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.46 -38.01 86.39 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 116.211 -0.45 . . . . 10.0 111.065 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . 0.659 ' HB3' ' HB3' ' B' ' 64' ' ' TYR . 25.4 ttt -64.16 -37.25 86.77 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.183 179.405 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . 0.492 ' HA ' ' CE1' ' B' ' 71' ' ' TYR . 0.0 OUTLIER -59.99 -38.66 83.25 Favored 'General case' 0 C--N 1.334 -0.097 0 CA-C-N 115.53 -0.759 . . . . 10.0 111.282 -179.549 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.38 -20.96 66.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.762 -0.654 . . . . 10.0 112.316 -179.358 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -79.25 -65.75 0.96 Allowed 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 120.812 -0.355 . . . . 10.0 111.64 -179.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' TYR . . . . . 0.492 ' CE1' ' HA ' ' B' ' 68' ' ' ARG . 46.9 p90 -65.36 -29.75 70.5 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 113.752 1.019 . . . . 10.0 113.752 -178.423 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . 0.426 ' HB2' ' O ' ' B' ' 68' ' ' ARG . 35.1 mtt -71.48 -16.78 62.37 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-O 120.879 0.371 . . . . 10.0 111.228 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' B' ' 73' ' ' ARG . 41.4 ttm105 -85.62 -46.61 10.62 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.15 0.5 . . . . 10.0 110.302 179.535 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.31 -29.65 61.71 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.714 -0.676 . . . . 10.0 112.436 -179.024 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -61.41 138.74 47.21 Favored Glycine 0 C--N 1.329 0.172 0 C-N-CA 121.0 -0.619 . . . . 10.0 113.594 -178.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -98.67 -43.06 6.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.018 0.437 . . . . 10.0 110.101 179.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -123.11 132.02 8.43 Favored Glycine 0 N--CA 1.444 -0.818 0 N-CA-C 110.667 -0.973 . . . . 10.0 110.667 179.074 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . 0.743 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 98.3 m-85 -112.89 117.55 32.43 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.701 0.63 . . . . 10.0 112.701 -178.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.661 HD12 ' HB ' ' B' ' 112' ' ' VAL . 11.9 tp -88.32 105.16 17.39 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 108.941 -0.763 . . . . 10.0 108.941 179.436 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . 0.565 ' HB3' HD12 ' B' ' 93' ' ' ILE . 3.8 m -81.8 96.17 7.52 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.236 -179.739 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 25.3 t -98.24 127.8 50.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.234 0.54 . . . . 10.0 111.582 -178.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' PHE . . . . . 0.618 ' HE2' ' HG ' ' B' ' 113' ' ' LEU . 47.3 p90 -141.18 149.56 41.61 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.396 -0.82 . . . . 10.0 109.305 178.127 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.418 ' HB1' ' OD1' ' B' ' 85' ' ' ASN . . . -89.42 132.64 34.9 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.906 -0.405 . . . . 10.0 109.906 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . 0.488 HD13 ' HB3' ' B' ' 123' ' ' ARG . 2.5 pp -66.95 -17.26 22.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.882 0.372 . . . . 10.0 111.608 -179.67 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . 0.418 ' OD1' ' HB1' ' B' ' 83' ' ' ALA . 25.1 p-10 -100.1 19.53 16.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.595 179.411 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -139.29 113.22 8.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.283 179.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.74 -34.94 67.36 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.165 0.432 . . . . 10.0 112.165 -179.047 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 29.3 tptp -60.38 -50.99 71.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 10.0 111.392 -179.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 2.9 m -60.13 -34.98 74.27 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 112.233 0.457 . . . . 10.0 112.233 -179.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . 0.452 ' HB2' HG21 ' B' ' 125' ' ' VAL . 41.2 t80 -63.69 -51.11 66.52 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.764 0.316 . . . . 10.0 111.53 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -73.83 -18.86 60.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.458 -0.337 . . . . 10.0 111.731 -179.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -68.7 -24.14 64.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.744 0.307 . . . . 10.0 111.206 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 93' ' ' ILE . . . . . 0.565 HD12 ' HB3' ' B' ' 80' ' ' CYS . 51.8 mm -59.41 -37.9 72.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.769 -179.747 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 63.5 t60 -61.59 -45.96 91.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 10.0 110.396 179.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 62.2 m-70 -64.35 -37.12 86.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.766 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -69.45 -42.67 74.63 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.706 -0.679 . . . . 10.0 110.413 179.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 97' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' B' ' 97' ' ' ARG . 43.0 ttt-85 -60.74 -45.21 95.16 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 120.902 0.382 . . . . 10.0 110.43 179.334 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -62.66 -38.72 91.41 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.178 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 99' ' ' GLN . . . . . 0.461 ' O ' HG23 ' B' ' 103' ' ' VAL . 40.3 tt0 -64.52 -50.62 66.64 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.565 -0.743 . . . . 10.0 110.453 179.214 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . 0.441 HG21 HG11 ' B' ' 109' ' ' VAL . 76.8 mt -56.65 -44.18 80.61 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 CA-C-N 116.165 -0.47 . . . . 10.0 111.221 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . 0.424 ' HB2' ' HE3' ' B' ' 101' ' ' LYS . 36.3 mtmt -59.41 -36.61 76.16 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.297 -0.41 . . . . 10.0 111.496 179.723 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 6.8 tmm_? -74.22 -44.21 54.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.989 -0.551 . . . . 10.0 110.999 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . 0.461 HG23 ' O ' ' B' ' 99' ' ' GLN . 52.2 t -64.22 -42.76 96.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.528 -0.305 . . . . 10.0 111.698 -179.218 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -89.5 -6.16 56.66 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.367 0.506 . . . . 10.0 112.367 -179.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 32.6 t0 53.75 51.1 15.58 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 121.316 0.579 . . . . 10.0 110.728 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 27.0 t -163.01 144.5 9.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.326 -0.852 . . . . 10.0 109.891 -179.046 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -89.85 -27.93 19.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.852 0.358 . . . . 10.0 110.105 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -84.09 92.76 7.97 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.837 -0.619 . . . . 10.0 110.478 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 0.441 HG11 HG21 ' B' ' 100' ' ' ILE . 62.1 t -127.19 127.06 24.34 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.488 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 110' ' ' PRO . . . . . 0.474 ' HG3' ' HB2' ' B' ' 166' ' ' HIS . 18.0 Cg_exo -67.63 110.3 2.06 Favored 'Trans proline' 0 C--O 1.235 0.345 0 C-N-CA 122.891 2.394 . . . . 10.0 111.304 179.305 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 111' ' ' MET . . . . . 0.743 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 54.9 mtm -136.6 148.27 47.4 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.832 -0.622 . . . . 10.0 111.189 -179.461 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . 0.661 ' HB ' HD12 ' B' ' 79' ' ' LEU . 88.3 t -121.16 127.76 75.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.084 -0.507 . . . . 10.0 109.871 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . 0.618 ' HG ' ' HE2' ' B' ' 82' ' ' PHE . 13.5 tp -85.15 109.85 18.57 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.233 -0.654 . . . . 10.0 109.233 179.183 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 72.2 t -114.33 115.63 50.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.962 0.41 . . . . 10.0 112.041 -178.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -99.24 105.72 3.1 Favored Glycine 0 N--CA 1.446 -0.684 0 N-CA-C 109.058 -1.617 . . . . 10.0 109.058 177.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 116' ' ' ASN . . . . . 0.457 ' ND2' ' HA3' ' B' ' 15' ' ' GLY . 63.0 t30 -92.21 162.88 14.13 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 112.288 0.477 . . . . 10.0 112.288 -178.063 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . 0.73 ' HE2' ' C4 ' ' B' ' 201' ' ' GSP . 90.9 mttt 71.26 25.41 3.56 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.102 -0.954 . . . . 10.0 112.518 179.263 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 118' ' ' CYS . . . . . 0.424 ' HA ' HG12 ' B' ' 84' ' ' ILE . 18.7 m -63.32 -18.41 63.6 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 113.058 0.762 . . . . 10.0 113.058 -179.661 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -82.67 -5.93 59.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.773 0.321 . . . . 10.0 111.143 -179.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 45.8 mt -88.33 138.73 30.25 Favored Pre-proline 0 C--N 1.328 -0.36 0 N-CA-C 109.992 -0.373 . . . . 10.0 109.992 179.191 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -73.71 158.68 46.72 Favored 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 123.066 2.511 . . . . 10.0 112.438 -179.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 22.6 m 63.7 67.58 0.62 Allowed 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.707 -0.679 . . . . 10.0 112.305 178.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 123' ' ' ARG . . . . . 0.488 ' HB3' HD13 ' B' ' 84' ' ' ILE . 17.6 ptp180 -84.86 137.63 33.03 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.688 -0.687 . . . . 10.0 110.536 179.682 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.5 -33.27 20.38 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.745 -0.465 . . . . 10.0 109.745 179.096 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 125' ' ' VAL . . . . . 0.452 HG21 ' HB2' ' B' ' 90' ' ' PHE . 60.5 t -96.66 112.17 28.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.168 179.351 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . 0.473 ' HB3' ' HE3' ' B' ' 128' ' ' LYS . 0.7 OUTLIER -74.32 145.24 44.07 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.736 -0.666 . . . . 10.0 109.43 179.178 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 1.5 m -55.83 -37.3 68.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.234 0.54 . . . . 10.0 110.699 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 128' ' ' LYS . . . . . 0.6 ' HB3' ' HA ' ' C' ' 47' ' ' ASP . 20.4 mtmt -58.61 -56.99 15.0 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.146 -0.934 . . . . 10.0 111.806 -179.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -63.67 -26.84 68.85 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 111.924 0.342 . . . . 10.0 111.924 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -71.17 -49.7 41.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 10.0 109.913 179.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . 0.437 ' HG3' ' HD2' ' B' ' 141' ' ' PHE . 11.1 mt-30 -68.87 -29.87 68.26 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.167 179.24 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -61.81 -38.38 87.92 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.278 178.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 34.5 tp -70.79 -38.41 73.37 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.811 -0.632 . . . . 10.0 110.45 179.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -69.99 -31.05 68.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.66 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? -57.8 -44.69 86.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.634 -0.712 . . . . 10.0 111.115 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.1 -20.49 63.19 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.097 -0.501 . . . . 10.0 111.756 -179.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 20.5 m-30 -88.08 -42.71 12.2 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.258 0.551 . . . . 10.0 110.903 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 105.66 -0.01 39.64 Favored Glycine 0 N--CA 1.448 -0.54 0 N-CA-C 111.169 -0.772 . . . . 10.0 111.169 -179.217 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 45.2 pt -99.79 158.83 31.4 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 109.991 -0.374 . . . . 10.0 109.991 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -88.12 151.9 6.92 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.671 2.248 . . . . 10.0 113.405 -179.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 141' ' ' PHE . . . . . 0.437 ' HD2' ' HG3' ' B' ' 131' ' ' GLN . 27.7 t80 -112.65 134.84 53.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.652 -0.704 . . . . 10.0 109.377 178.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 13.6 mt -123.23 133.62 68.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.781 0.324 . . . . 10.0 111.619 -179.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -87.32 111.88 21.51 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.164 -1.05 . . . . 10.0 108.164 177.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -120.28 164.88 15.62 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.553 0.692 . . . . 10.0 112.211 -177.284 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 5.4 t -153.23 116.14 4.54 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 107.98 -1.119 . . . . 10.0 107.98 178.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.7 -29.23 61.12 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.62 -0.511 . . . . 10.0 109.62 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -62.43 -43.21 99.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.515 -0.766 . . . . 10.0 110.948 179.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 68.5 p -93.71 -19.87 20.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.945 0.402 . . . . 10.0 110.779 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 149' ' ' ARG . . . . . 0.534 ' HG3' ' HB3' ' B' ' 22' ' ' GLN . 23.2 ttt-85 72.69 15.05 4.95 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.579 -0.737 . . . . 10.0 111.474 -179.446 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 150' ' ' GLN . . . . . 0.449 HE22 ' NE2' ' C' ' 150' ' ' GLN . 35.6 tt0 -81.93 123.73 29.11 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.312 -0.404 . . . . 10.0 111.135 -179.704 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 84.36 -2.19 88.1 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 121.1 -0.571 . . . . 10.0 113.216 179.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 55.3 t -58.53 -51.25 73.96 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 N-CA-C 111.948 0.351 . . . . 10.0 111.948 -179.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -63.34 -44.19 95.57 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 110.156 -0.313 . . . . 10.0 110.156 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -58.94 -42.36 89.57 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.041 -0.527 . . . . 10.0 112.18 -179.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -53.53 -52.04 60.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.016 0.436 . . . . 10.0 111.124 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -69.03 -37.48 78.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.807 -0.633 . . . . 10.0 111.103 179.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -61.74 -40.64 95.81 Favored 'General case' 0 N--CA 1.457 -0.104 0 CA-C-O 120.934 0.397 . . . . 10.0 110.361 179.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 158' ' ' THR . . . . . 0.495 ' O ' ' HG2' ' B' ' 162' ' ' GLU . 22.1 m -60.99 -39.57 90.17 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.852 179.572 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 159' ' ' LEU . . . . . 0.489 HD23 ' HB3' ' B' ' 6' ' ' LEU . 15.2 tp -58.52 -40.19 82.2 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.731 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 39.4 t -67.31 -38.83 81.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.474 -0.565 . . . . 10.0 109.474 178.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 161' ' ' ARG . . . . . 0.567 ' HD2' ' OD1' ' B' ' 47' ' ' ASP . 0.2 OUTLIER -63.44 -39.54 94.76 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.022 179.065 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 162' ' ' GLU . . . . . 0.495 ' HG2' ' O ' ' B' ' 158' ' ' THR . 32.0 mm-40 -64.17 -41.42 97.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.857 -0.611 . . . . 10.0 110.692 179.436 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 163' ' ' ILE . . . . . 0.411 HG13 ' O ' ' B' ' 159' ' ' LEU . 79.9 mt -65.3 -43.24 95.12 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.122 0 N-CA-C 109.488 -0.56 . . . . 10.0 109.488 178.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 164' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' B' ' 164' ' ' ARG . 35.1 mtt180 -61.96 -39.01 90.68 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 116.129 -0.487 . . . . 10.0 109.881 178.77 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 165' ' ' LYS . . . . . 0.484 ' HG3' ' HG2' ' C' ' 135' ' ' ARG . 22.1 mtmt -65.94 -37.07 85.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.956 -0.565 . . . . 10.0 110.205 179.195 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 166' ' ' HIS . . . . . 0.474 ' HB2' ' HG3' ' B' ' 110' ' ' PRO . 14.3 t-160 -64.63 -44.31 90.92 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 109.882 -0.414 . . . . 10.0 109.882 179.142 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -64.9 -42.12 95.04 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.897 -0.409 . . . . 10.0 109.897 178.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -60.43 -44.16 96.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.358 -0.837 . . . . 10.0 109.088 178.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 37.4 tttm -68.69 -35.8 77.67 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.398 -0.819 . . . . 10.0 110.903 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 54.9 mmm -67.61 -22.79 65.34 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.061 0.458 . . . . 10.0 111.316 179.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 12.6 m -73.63 -40.64 63.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.35 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 172' ' ' LYS . . . . . 0.457 ' HA ' ' HG3' ' B' ' 176' ' ' LYS . 1.1 mttm -89.51 -15.75 32.29 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.216 179.725 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 173' ' ' ASP . . . . . 0.44 ' CG ' ' H ' ' B' ' 174' ' ' GLY 0.281 4.4 p30 48.05 -102.29 0.08 Allowed 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 113.254 0.835 . . . . 10.0 113.254 -178.745 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 174' ' ' GLY . . . . . 0.44 ' H ' ' CG ' ' B' ' 173' ' ' ASP . . . -140.68 -12.02 0.6 Allowed Glycine 0 N--CA 1.44 -1.046 0 N-CA-C 111.151 -0.78 . . . . 10.0 111.151 179.198 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 175' ' ' LYS . . . . . 0.476 ' HB2' ' H ' ' B' ' 176' ' ' LYS . 1.6 mttp -120.86 -95.64 0.48 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.752 0.31 . . . . 10.0 111.248 -179.035 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 176' ' ' LYS . . . . . 0.495 ' O ' ' H42' ' B' ' 207' ' ' PCW . 40.8 mmtm 55.88 -103.28 0.18 Allowed 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.749 -0.66 . . . . 10.0 111.754 -178.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 177' ' ' LYS . . . . . 0.449 ' HA ' ' O1P' ' B' ' 207' ' ' PCW . 53.3 tttp -91.77 -24.38 19.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.862 0.363 . . . . 10.0 110.501 -179.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 178' ' ' LYS . . . . . 0.458 ' HE3' ' HB3' ' B' ' 178' ' ' LYS . 10.9 ttpp 55.39 79.3 0.16 Allowed 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.763 -0.653 . . . . 10.0 111.16 -179.58 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 179' ' ' LYS . . . . . . . . . . . . . 3.6 mmmt -85.41 -33.61 21.91 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.591 -0.731 . . . . 10.0 111.107 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -110.84 177.08 4.79 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.187 -0.461 . . . . 10.0 111.074 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.55 130.46 46.91 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.662 -0.699 . . . . 10.0 112.03 -179.375 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 182' ' ' LYS . . . . . 0.489 ' HD3' ' HA ' ' B' ' 182' ' ' LYS . 0.4 OUTLIER -151.43 32.24 0.58 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.116 0.484 . . . . 10.0 111.395 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -93.95 -96.79 0.15 Allowed 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.828 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 184' ' ' LYS . . . . . 0.924 ' HD3' H321 ' C' ' 205' ' ' PCW . 1.6 mttp . . . . . 0 C--O 1.237 0.413 0 CA-C-N 116.361 -0.381 . . . . 10.0 110.135 -179.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 8.5 m . . . . . 0 CA--C 1.529 0.141 0 CA-C-O 120.83 0.347 . . . . 10.0 111.545 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 2' ' ' THR . . . . . 0.401 ' HB ' ' CE2' ' C' ' 4' ' ' TYR . 0.2 OUTLIER -70.21 126.58 30.09 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.4 -0.364 . . . . 10.0 111.502 -179.215 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -97.87 135.0 40.24 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.784 -0.45 . . . . 10.0 109.784 179.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 4' ' ' TYR . . . . . 0.434 ' CE2' ' HB3' ' C' ' 51' ' ' CYS . 96.5 m-85 -125.26 114.08 18.47 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.425 -0.352 . . . . 10.0 110.921 -179.319 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 5' ' ' LYS . . . . . 0.556 ' HA ' ' HB3' ' C' ' 54' ' ' ASP . 51.3 mttm -85.71 119.65 26.27 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.543 -0.54 . . . . 10.0 109.543 179.029 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . 0.582 HD11 HG22 ' C' ' 160' ' ' VAL . 20.1 mt -124.58 133.54 53.25 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.011 0.434 . . . . 10.0 111.289 -178.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 58.7 t -113.31 129.25 69.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.048 -0.524 . . . . 10.0 110.212 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.504 HG12 ' HD2' ' C' ' 16' ' ' LYS . 3.0 t -92.35 109.73 21.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.595 -0.52 . . . . 10.0 109.595 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 15.9 m -106.49 150.18 9.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.481 -0.327 . . . . 10.0 111.446 -179.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 155.66 176.79 28.22 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 121.229 -0.51 . . . . 10.0 112.034 -179.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.88 -174.51 5.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.987 0.422 . . . . 10.0 111.363 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.67 144.14 26.04 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.847 0.356 . . . . 10.0 110.957 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 13' ' ' GLY . . . . . 0.831 ' HA2' H5'1 ' C' ' 201' ' ' GSP . . . 80.76 11.99 83.3 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 121.121 -0.562 . . . . 10.0 113.523 179.473 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 34.8 m -89.52 -21.49 6.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 117.407 0.603 . . . . 10.0 111.922 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . 0.744 ' HA2' ' H8 ' ' C' ' 201' ' ' GSP . . . 108.68 20.2 8.25 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.635 -0.793 . . . . 10.0 113.709 179.052 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . 0.504 ' HD2' HG12 ' C' ' 8' ' ' VAL . 33.6 mtmt -56.96 -45.17 83.03 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 112.126 0.417 . . . . 10.0 112.126 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 17' ' ' SER . . . . . 0.43 ' OG ' ' O3G' ' C' ' 201' ' ' GSP . 0.7 OUTLIER -76.28 -39.09 55.18 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.644 -0.253 . . . . 10.0 110.64 -179.833 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.91 -48.59 77.87 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.407 -0.36 . . . . 10.0 110.92 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 19' ' ' LEU . . . . . 0.568 ' HB3' ' HZ ' ' C' ' 156' ' ' PHE . 84.2 mt -61.4 -46.86 88.38 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.335 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 6.6 m -66.88 -46.16 75.84 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.133 -0.485 . . . . 10.0 112.106 -179.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 84.7 mt -61.58 -32.9 54.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.181 0.515 . . . . 10.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 22' ' ' GLN . . . . . 0.658 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 5.3 mm-40 -65.23 -27.28 68.56 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.547 -0.751 . . . . 10.0 111.268 179.661 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 16.6 tp -92.43 -34.26 14.2 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.973 0.416 . . . . 10.0 111.324 -179.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 50.8 mm -81.91 -59.3 2.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.207 -0.451 . . . . 10.0 112.114 -178.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -91.23 -16.35 27.77 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.694 0.283 . . . . 10.0 111.75 -178.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 26' ' ' ASN . . . . . 0.658 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 26.5 m-80 70.16 30.36 3.5 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 114.149 1.166 . . . . 10.0 114.149 178.144 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -137.21 156.4 48.36 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 120.929 -0.309 . . . . 10.0 110.748 179.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -93.88 135.33 35.32 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.086 0.469 . . . . 10.0 110.721 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 5.8 m -100.43 132.84 45.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.143 -0.481 . . . . 10.0 110.979 179.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -108.52 -9.63 15.34 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.975 0.893 . . . . 10.0 109.472 179.009 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -91.45 143.45 26.59 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.013 -0.994 . . . . 10.0 109.985 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 32' ' ' TYR . . . . . 0.88 ' CD1' H5'2 ' C' ' 201' ' ' GSP . 79.2 t80 -75.34 115.53 15.09 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.607 -0.269 . . . . 10.0 110.693 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -110.49 108.56 58.34 Favored Pre-proline 0 C--O 1.238 0.48 0 CA-C-N 116.286 -0.415 . . . . 10.0 111.708 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -75.69 77.66 3.29 Favored 'Trans proline' 0 N--CA 1.459 -0.559 0 C-N-CA 122.727 2.285 . . . . 10.0 110.514 178.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 35' ' ' THR . . . . . 0.45 HG22 ' HB2' ' C' ' 38' ' ' ASP . 0.2 OUTLIER -73.47 120.89 19.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.019 -0.537 . . . . 10.0 109.871 179.416 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . 0.891 ' HA ' ' HB2' ' C' ' 59' ' ' ALA . 27.1 mm -95.38 -46.01 13.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.073 0.463 . . . . 10.0 110.203 -179.759 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -164.83 91.57 0.56 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.776 -0.647 . . . . 10.0 109.271 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 38' ' ' ASP . . . . . 0.45 ' HB2' HG22 ' C' ' 35' ' ' THR . 0.3 OUTLIER -120.42 131.55 54.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.471 -0.331 . . . . 10.0 111.499 -179.001 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 4.4 m -100.64 144.64 29.37 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.796 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -135.29 136.25 41.48 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.314 -0.403 . . . . 10.0 110.24 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . 0.615 ' HA ' ' O ' ' C' ' 53' ' ' LEU . 0.2 OUTLIER -124.1 129.11 50.3 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.713 0.292 . . . . 10.0 110.648 179.19 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -143.2 146.83 34.03 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.51 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -104.03 120.94 42.13 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.504 -0.554 . . . . 10.0 109.504 179.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 31.2 m -127.65 150.37 33.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.137 0.494 . . . . 10.0 111.131 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 22.2 t -112.64 82.88 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.096 -0.705 . . . . 10.0 109.096 179.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 34.5 pt -107.98 139.25 30.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.589 -179.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 47' ' ' ASP . . . . . 0.6 ' HA ' ' HB3' ' B' ' 128' ' ' LYS . 11.2 m-20 61.87 15.98 7.6 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.406 -0.816 . . . . 10.0 111.219 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 86.09 14.0 67.73 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.888 -0.672 . . . . 10.0 111.767 -179.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -118.11 134.93 54.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.778 0.323 . . . . 10.0 110.865 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -86.77 103.16 14.94 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.03 -1.1 . . . . 10.0 108.03 178.25 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 51' ' ' CYS . . . . . 0.434 ' HB3' ' CE2' ' C' ' 4' ' ' TYR . 0.8 OUTLIER -108.3 144.59 35.61 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 112.627 0.603 . . . . 10.0 112.627 -178.353 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 62.9 tp -104.21 113.98 27.91 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 108.315 -0.994 . . . . 10.0 108.315 178.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . 0.615 ' O ' ' HA ' ' C' ' 41' ' ' ARG . 33.1 mt -85.13 121.35 27.76 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 112.711 0.634 . . . . 10.0 112.711 -178.002 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . 0.579 ' OD1' ' HD2' ' C' ' 41' ' ' ARG . 26.5 t70 -109.75 74.63 0.9 Allowed 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 107.447 -1.316 . . . . 10.0 107.447 178.182 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 55' ' ' ILE . . . . . 0.529 ' HA ' ' O ' ' C' ' 6' ' ' LEU . 2.5 mt -86.79 158.36 3.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.415 -0.811 . . . . 10.0 111.761 -177.571 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 6.6 tp -152.24 120.99 6.51 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.323 -0.398 . . . . 10.0 111.307 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -97.33 116.49 29.64 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 108.575 -0.898 . . . . 10.0 108.575 177.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 58' ' ' THR . . . . . 0.553 HG21 ' CE1' ' C' ' 71' ' ' TYR . 0.6 OUTLIER -107.98 157.49 18.18 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.258 -0.428 . . . . 10.0 111.612 -178.914 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 59' ' ' ALA . . . . . 0.891 ' HB2' ' HA ' ' C' ' 36' ' ' ILE . . . -65.96 121.03 14.17 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.814 -0.63 . . . . 10.0 112.623 -179.347 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -103.03 41.93 2.01 Favored Glycine 0 N--CA 1.448 -0.512 0 N-CA-C 110.382 -1.087 . . . . 10.0 110.382 178.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -94.14 13.13 24.15 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.651 -0.275 . . . . 10.0 111.713 -178.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 68.13 172.16 0.28 Allowed 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.062 -0.517 . . . . 10.0 111.845 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 67.42 39.65 2.87 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.316 0.579 . . . . 10.0 109.651 -179.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -131.02 35.55 3.94 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.151 -0.932 . . . . 10.0 110.269 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 1.9 m -62.71 -24.43 67.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.933 -0.576 . . . . 10.0 111.797 -179.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.15 -40.59 9.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.957 0.408 . . . . 10.0 110.96 179.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 67' ' ' MET . . . . . 0.458 ' HA ' ' OE1' ' C' ' 70' ' ' GLN . 21.2 ttt -67.5 -41.19 84.9 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.972 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 68' ' ' ARG . . . . . 0.695 ' HB3' HE22 ' C' ' 99' ' ' GLN . 6.8 ttp180 -66.91 -12.84 60.74 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.991 -0.549 . . . . 10.0 111.632 -179.504 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -81.49 -23.38 37.39 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.021 -0.536 . . . . 10.0 111.172 -179.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 70' ' ' GLN . . . . . 0.458 ' OE1' ' HA ' ' C' ' 67' ' ' MET . 38.4 mt-30 -74.61 -73.73 0.23 Allowed 'General case' 0 C--O 1.234 0.285 0 N-CA-C 112.768 0.655 . . . . 10.0 112.768 -178.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 71' ' ' TYR . . . . . 0.629 ' CZ ' ' HA ' ' C' ' 68' ' ' ARG . 15.1 p90 -60.54 -11.32 6.74 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.426 0.899 . . . . 10.0 113.426 -178.176 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 72' ' ' MET . . . . . 0.586 ' SD ' ' HA ' ' C' ' 100' ' ' ILE . 26.2 ttm -71.84 -24.46 61.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.339 0.59 . . . . 10.0 110.345 179.274 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 69.0 mtt180 -80.8 -43.31 20.29 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.78 -0.646 . . . . 10.0 109.705 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -73.8 -41.67 62.03 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.542 -0.754 . . . . 10.0 112.065 -179.291 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.9 131.01 36.58 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 121.012 -0.613 . . . . 10.0 112.795 -179.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -96.07 -45.75 6.77 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.05 0.452 . . . . 10.0 110.518 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -108.99 131.94 10.83 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.95 -0.643 . . . . 10.0 111.775 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 78' ' ' PHE . . . . . 0.408 ' HZ ' ' HA ' ' C' ' 72' ' ' MET . 87.6 m-85 -113.96 122.0 45.62 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.8 0.333 . . . . 10.0 111.09 -179.731 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . 0.579 ' HG ' HG23 ' C' ' 81' ' ' VAL . 17.5 tp -91.83 106.98 18.88 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.873 -0.603 . . . . 10.0 110.465 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 2.7 m -84.96 85.15 7.51 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.857 -0.61 . . . . 10.0 110.819 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 81' ' ' VAL . . . . . 0.579 HG23 ' HG ' ' C' ' 79' ' ' LEU . 94.9 t -97.54 131.87 43.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.562 -0.745 . . . . 10.0 110.099 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 82' ' ' PHE . . . . . 0.729 ' HB2' ' HB2' ' C' ' 89' ' ' SER . 34.4 p90 -139.89 158.49 44.0 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.826 -0.625 . . . . 10.0 110.185 178.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -90.89 126.93 36.19 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.556 -0.535 . . . . 10.0 109.556 179.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 84' ' ' ILE . . . . . 0.571 ' CD1' ' HA ' ' C' ' 118' ' ' CYS . 21.4 pt -67.2 -17.99 23.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.929 0.395 . . . . 10.0 111.694 -179.166 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 19.9 p-10 -95.41 -8.03 36.7 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.488 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -120.73 103.18 8.91 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.981 0.42 . . . . 10.0 110.039 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.06 -24.78 67.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.956 -0.566 . . . . 10.0 112.523 -178.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -58.07 -44.38 87.51 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 120.95 0.405 . . . . 10.0 110.155 179.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . 0.729 ' HB2' ' HB2' ' C' ' 82' ' ' PHE . 0.0 OUTLIER -66.59 -31.17 71.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.95 -0.568 . . . . 10.0 111.291 179.637 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -69.05 -39.75 78.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.037 -0.528 . . . . 10.0 111.096 -179.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 63.9 mt-10 -80.5 -27.8 37.66 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.902 0.382 . . . . 10.0 110.777 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.74 -21.45 66.76 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.97 -0.559 . . . . 10.0 111.164 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 93' ' ' ILE . . . . . 0.502 HD11 ' HB3' ' C' ' 82' ' ' PHE . 42.0 mm -57.16 -43.3 81.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 10.0 111.019 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -60.19 -36.3 77.31 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.123 -0.489 . . . . 10.0 110.853 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 50.6 m-70 -62.82 -42.01 99.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.369 179.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -69.02 -46.72 67.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.881 -0.6 . . . . 10.0 110.117 179.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -52.91 -51.36 61.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.692 -179.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -67.41 -37.23 82.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.312 -0.404 . . . . 10.0 112.03 -179.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 99' ' ' GLN . . . . . 0.695 HE22 ' HB3' ' C' ' 68' ' ' ARG . 26.5 tt0 -66.27 -47.0 75.12 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.606 -0.27 . . . . 10.0 110.797 -179.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 100' ' ' ILE . . . . . 0.586 ' HA ' ' SD ' ' C' ' 72' ' ' MET . 87.3 mt -60.12 -39.78 81.48 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 CA-C-O 121.092 0.473 . . . . 10.0 110.347 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 3.0 mtmt -67.56 -21.36 65.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.685 -0.689 . . . . 10.0 111.676 179.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 15.6 ttm180 -88.03 -47.17 8.72 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.35 0.595 . . . . 10.0 111.439 -179.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 103' ' ' VAL . . . . . 0.421 HG11 ' HB3' ' C' ' 72' ' ' MET . 60.8 t -64.8 -51.05 71.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.791 -0.64 . . . . 10.0 111.522 -179.299 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -79.52 -16.52 55.84 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 116.407 -0.36 . . . . 10.0 111.455 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 20.6 t0 58.12 32.83 22.51 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 121.448 0.642 . . . . 10.0 112.371 178.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 4.4 m -122.79 150.98 42.08 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.883 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -88.48 -48.8 7.34 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.632 -0.507 . . . . 10.0 109.632 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -76.48 98.61 4.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.401 -0.818 . . . . 10.0 110.298 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 109' ' ' VAL . . . . . 0.409 HG12 ' HG3' ' C' ' 111' ' ' MET . 76.3 t -119.41 110.03 37.92 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 115.563 -0.744 . . . . 10.0 109.905 -179.679 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -65.37 112.99 2.28 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.817 2.345 . . . . 10.0 111.153 179.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 111' ' ' MET . . . . . 0.409 ' HG3' HG12 ' C' ' 109' ' ' VAL . 56.3 mtm -137.94 163.8 30.6 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.504 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 75.5 t -139.12 127.43 27.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 108.872 -0.788 . . . . 10.0 108.872 179.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 113' ' ' LEU . . . . . 0.517 ' O ' ' HA ' ' C' ' 141' ' ' PHE . 14.0 tp -88.31 110.87 21.11 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.356 -0.609 . . . . 10.0 109.356 179.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 60.9 t -116.15 127.92 73.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 112.44 0.533 . . . . 10.0 112.44 -178.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -101.53 118.1 6.05 Favored Glycine 0 N--CA 1.444 -0.808 0 N-CA-C 109.284 -1.526 . . . . 10.0 109.284 178.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -100.44 158.38 15.95 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.927 0.364 . . . . 10.0 111.938 -178.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 117' ' ' LYS . . . . . 0.795 ' HE2' ' C5 ' ' C' ' 201' ' ' GSP . 79.2 mttt 64.83 41.54 4.92 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-N 115.547 -0.751 . . . . 10.0 112.09 179.751 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 118' ' ' CYS . . . . . 0.571 ' HA ' ' CD1' ' C' ' 84' ' ' ILE . 73.8 m -74.82 2.48 10.07 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.2 -0.454 . . . . 10.0 111.813 179.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -92.73 -9.35 40.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.007 0.432 . . . . 10.0 110.489 179.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 64.1 mt -74.81 132.82 77.01 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.894 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -72.38 139.25 31.47 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.539 2.16 . . . . 10.0 111.909 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 13.2 m 70.31 76.09 0.2 Allowed 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 115.582 -0.735 . . . . 10.0 111.636 -179.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 9.5 ptp180 -81.03 136.63 36.0 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.667 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -76.08 -48.78 19.5 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.881 0.372 . . . . 10.0 110.902 179.449 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 99.1 t -85.16 121.01 36.5 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 CA-C-N 116.299 -0.41 . . . . 10.0 110.772 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.5 137.58 34.58 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.949 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.24 -25.03 67.59 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.167 0.508 . . . . 10.0 110.258 179.19 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 128' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -51.88 -49.89 62.07 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 115.122 -0.944 . . . . 10.0 111.932 179.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -96.52 -16.72 20.95 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.972 0.36 . . . . 10.0 111.972 -179.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.85 -42.82 94.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.843 0.354 . . . . 10.0 110.663 179.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -81.81 -22.15 37.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.295 -0.411 . . . . 10.0 110.673 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 132' ' ' ASP . . . . . 0.421 ' O ' ' HB3' ' C' ' 135' ' ' ARG . 2.0 t70 -63.81 -40.07 95.76 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.921 -0.582 . . . . 10.0 110.04 178.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 13.4 tp -66.02 -38.25 87.97 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.378 -0.828 . . . . 10.0 109.711 179.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -68.85 -27.91 66.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.636 -0.711 . . . . 10.0 111.077 179.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 135' ' ' ARG . . . . . 0.484 ' HG2' ' HG3' ' B' ' 165' ' ' LYS . 3.7 tmm_? -57.19 -47.26 81.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.998 -0.547 . . . . 10.0 112.069 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.96 -21.15 55.2 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.898 0.38 . . . . 10.0 112.009 -179.128 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 15.3 m-30 -83.2 -33.62 26.11 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.736 0.303 . . . . 10.0 110.981 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 91.18 16.58 53.36 Favored Glycine 0 N--CA 1.451 -0.332 0 N-CA-C 110.975 -0.85 . . . . 10.0 110.975 -179.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 49.9 pt -106.12 154.49 39.57 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 115.276 -0.462 . . . . 10.0 110.197 -179.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -88.72 150.74 6.13 Favored 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 122.353 2.035 . . . . 10.0 112.805 179.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 141' ' ' PHE . . . . . 0.517 ' HA ' ' O ' ' C' ' 113' ' ' LEU . 76.9 t80 -113.78 128.7 56.52 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.205 -0.665 . . . . 10.0 109.205 178.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 54.9 mt -123.07 126.16 73.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.046 0.451 . . . . 10.0 111.969 -179.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -83.63 128.75 34.76 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.718 -1.215 . . . . 10.0 107.718 177.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 5.7 p -137.36 160.26 39.59 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 114.088 1.144 . . . . 10.0 114.088 -178.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 26.0 t -153.71 108.91 3.17 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.398 -1.274 . . . . 10.0 107.626 177.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 146' ' ' ALA . . . . . 0.411 ' HA ' HG21 ' C' ' 152' ' ' VAL . . . -69.35 -24.79 63.95 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.334 -0.394 . . . . 10.0 111.524 -179.102 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -63.97 -42.43 97.26 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.957 179.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 7.9 p -93.76 -14.1 26.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.357 -0.383 . . . . 10.0 111.392 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 59.75 48.22 9.46 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.94 -179.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 150' ' ' GLN . . . . . 0.449 ' NE2' HE22 ' B' ' 150' ' ' GLN . 56.2 tt0 -118.43 112.48 20.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.849 -0.614 . . . . 10.0 112.005 -179.376 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 84.84 -11.86 58.67 Favored Glycine 0 N--CA 1.452 -0.248 0 CA-C-N 115.847 -0.615 . . . . 10.0 113.58 178.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 152' ' ' VAL . . . . . 0.411 HG21 ' HA ' ' C' ' 146' ' ' ALA . 38.6 t -63.4 -42.44 96.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.742 0.306 . . . . 10.0 111.744 -178.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.26 -54.98 37.19 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.861 -0.609 . . . . 10.0 111.761 -179.095 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -65.44 -24.02 67.08 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 112.661 0.615 . . . . 10.0 112.661 -178.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -59.89 -44.17 94.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.018 0.437 . . . . 10.0 110.512 179.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 156' ' ' PHE . . . . . 0.568 ' HZ ' ' HB3' ' C' ' 19' ' ' LEU . 23.2 m-85 -68.3 -38.57 81.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.653 -0.703 . . . . 10.0 110.461 179.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 15.2 m-30 -66.37 -38.29 87.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.882 -0.599 . . . . 10.0 111.113 -179.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 37.3 m -63.68 -35.21 79.8 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.198 -0.455 . . . . 10.0 110.125 179.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 159' ' ' LEU . . . . . 0.455 HD22 HD13 ' C' ' 79' ' ' LEU . 33.5 tp -63.27 -37.89 89.03 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 116.17 -0.468 . . . . 10.0 109.754 178.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 160' ' ' VAL . . . . . 0.582 HG22 HD11 ' C' ' 6' ' ' LEU . 44.0 t -70.67 -40.88 77.53 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 CA-C-N 115.753 -0.658 . . . . 10.0 110.17 179.316 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 161' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' C' ' 161' ' ' ARG . 28.5 mtm-85 -62.37 -36.83 83.49 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.228 -0.442 . . . . 10.0 111.867 -179.664 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -61.0 -30.0 70.03 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.611 -0.268 . . . . 10.0 110.905 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 163' ' ' ILE . . . . . 0.486 HG22 ' HE3' ' C' ' 167' ' ' LYS . 46.0 mm -68.76 -43.66 82.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.064 178.725 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 33.2 ttm180 -68.12 -39.2 82.8 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 109.125 -0.695 . . . . 10.0 109.125 179.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.76 -40.21 91.64 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.336 -0.847 . . . . 10.0 109.425 178.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 15.9 t-80 -65.47 -44.26 87.72 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.606 -0.725 . . . . 10.0 110.293 179.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 167' ' ' LYS . . . . . 0.486 ' HE3' HG22 ' C' ' 163' ' ' ILE . 97.3 mttt -58.97 -45.78 89.71 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.33 -0.395 . . . . 10.0 110.846 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -64.36 -51.45 63.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.947 -0.57 . . . . 10.0 111.373 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -66.4 -24.75 66.52 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.32 -0.4 . . . . 10.0 111.978 -178.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -66.93 -30.64 70.83 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.74 -0.467 . . . . 10.0 109.74 178.345 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 10.2 m -75.26 -17.29 60.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.823 -0.626 . . . . 10.0 109.723 178.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 172' ' ' LYS . . . . . 0.513 ' HA ' ' HG3' ' C' ' 176' ' ' LYS . 93.9 mttt -98.94 17.89 18.5 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.645 -0.707 . . . . 10.0 109.957 179.486 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 173' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -118.44 106.3 12.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.51 179.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . 91.11 -91.72 1.68 Allowed Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.887 -0.673 . . . . 10.0 112.761 179.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 175' ' ' LYS . . . . . 0.834 ' HE3' ' H1 ' ' C' ' 214' ' ' 17F . 12.0 mptt -75.71 87.25 2.75 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.262 0.553 . . . . 10.0 112.313 -178.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 176' ' ' LYS . . . . . 0.513 ' HG3' ' HA ' ' C' ' 172' ' ' LYS . 5.7 tmtt? -138.36 130.41 28.44 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.492 -0.777 . . . . 10.0 109.661 179.421 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 177' ' ' LYS . . . . . 0.536 ' HG2' ' HG2' ' C' ' 178' ' ' LYS . 31.4 ttmt -70.14 -88.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.056 0.391 . . . . 10.0 112.056 -179.459 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 178' ' ' LYS . . . . . 0.536 ' HG2' ' HG2' ' C' ' 177' ' ' LYS . 7.4 pttt -163.51 -148.79 0.13 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.567 -0.288 . . . . 10.0 110.818 -179.315 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 179' ' ' LYS . . . . . 0.457 ' H ' ' HB2' ' C' ' 178' ' ' LYS . 58.6 mttp -83.52 -77.28 0.26 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.681 0.277 . . . . 10.0 111.052 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 180' ' ' LYS . . . . . 0.463 ' HA ' ' HD2' ' C' ' 180' ' ' LYS . 13.0 tptp -150.9 4.06 0.47 Allowed 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 111.838 0.311 . . . . 10.0 111.838 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 19.4 m 71.26 18.61 5.63 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.175 0.435 . . . . 10.0 112.175 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 182' ' ' LYS . . . . . 0.585 ' O ' ' H63' ' A' ' 410' ' ' PCW . 5.8 tmtp? 51.39 67.15 1.0 Allowed 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.866 -0.606 . . . . 10.0 112.105 179.423 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 1.4 p -96.13 110.28 22.58 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.287 -0.415 . . . . 10.0 111.251 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 184' ' ' LYS . . . . . 0.713 ' HA ' ' C8 ' ' A' ' 410' ' ' PCW . 58.7 mttt . . . . . 0 N--CA 1.467 0.383 0 CA-C-N 115.864 -0.607 . . . . 10.0 111.768 -179.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 401' ' ' PCW . . . . . 1.079 H461 H251 ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 402' ' ' PCW . . . . . 0.879 H442 H282 ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 403' ' ' PCW . . . . . 1.114 ' H31' ' H41' ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 404' ' ' PCW . . . . . 1.106 ' C16' H421 ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 405' ' ' PCW . . . . . 0.982 ' H52' H121 ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 406' ' ' PCW . . . . . 1.099 ' H40' H172 ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 407' ' ' PCW . . . . . 1.147 H212 ' C17' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 408' ' ' PCW . . . . . 1.014 ' C4 ' ' H32' ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 409' ' ' PCW . . . . . 1.184 ' C19' H142 ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 410' ' ' PCW . . . . . 1.089 H372 H321 ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 411' ' ' PCW . . . . . 1.081 H262 H252 ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 412' ' ' PCW . . . . . 0.982 H451 H182 ' C' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 413' ' ' PCW . . . . . 1.014 ' H32' ' C4 ' ' A' ' 408' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 414' ' ' PCW . . . . . 1.051 H341 ' H32' ' A' ' 415' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 415' ' ' 17F . . . . . 1.051 ' H32' H341 ' A' ' 414' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 416' ' ' 17F . . . . . 1.105 ' H57' H211 ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 417' ' ' PCW . . . . . 0.996 H283 H251 ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 418' ' ' PCW . . . . . 0.853 H332 H132 ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 419' ' ' PCW . . . . . 0.748 ' C40' H441 ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 420' ' ' PCW . . . . . 1.009 H372 ' C43' ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 421' ' ' PCW . . . . . 1.055 H162 ' H57' ' D' ' 630' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 422' ' ' 17F . . . . . 1.069 ' C6 ' H141 ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 601' ' ' PCW . . . . . 0.957 H421 H461 ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 602' ' ' PCW . . . . . 1.032 H172 H212 ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 603' ' ' PCW . . . . . 1.041 ' H2 ' ' C4 ' ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 604' ' ' PCW . . . . . 1.04 H251 ' H76' ' C' ' 215' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 605' ' ' PCW . . . . . 1.125 ' O1P' ' H52' ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 606' ' ' PCW . . . . . 1.065 H182 H142 ' D' ' 606' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 607' ' ' PCW . . . . . 1.102 H431 H471 ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 608' ' ' PCW . . . . . 1.047 H452 ' H60' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 609' ' ' PCW . . . . . 0.89 H171 H141 ' D' ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 610' ' ' PCW . . . . . 1.091 ' H63' ' H6A' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 611' ' ' PCW . . . . . 1.0 H351 H222 ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 612' ' ' PCW . . . . . 1.101 ' C32' H352 ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 613' ' ' PCW . . . . . 1.032 H212 H172 ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 614' ' ' PCW . . . . . 1.125 ' H52' ' O1P' ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 615' ' ' PCW . . . . . 0.978 H262 H442 ' A' ' 401' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 616' ' ' PCW . . . . . 1.006 H141 ' H9A' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 617' ' ' PCW . . . . . 1.123 ' H19' H461 ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 618' ' ' PCW . . . . . 1.123 H461 ' H19' ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 619' ' ' PCW . . . . . 1.004 H361 H172 ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 620' ' ' PCW . . . . . 1.017 ' H39' H411 ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 621' ' ' PCW . . . . . 1.028 ' H41' ' H2 ' ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 622' ' ' PCW . . . . . 1.069 H141 ' C6 ' ' A' ' 422' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 623' ' ' PCW . . . . . 1.101 H352 ' C32' ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 624' ' ' PCW . . . . . 1.139 H481 ' H55' ' B' ' 209' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 625' ' ' PCW . . . . . 1.102 H471 H431 ' D' ' 607' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 626' ' ' PCW . . . . . 1.023 H282 H461 ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 627' ' ' PCW . . . . . 1.037 H381 H421 ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 628' ' ' 17F . . . . . 1.047 ' H60' H452 ' D' ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 629' ' ' 17F . . . . . 0.972 ' H46' ' C19' ' D' ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 630' ' ' 17F . . . . . 1.055 ' H57' H162 ' A' ' 421' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 631' ' ' 17F . . . . . 1.091 ' H6A' ' H63' ' D' ' 610' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 632' ' ' 17F . . . . . 1.006 ' H9A' H141 ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 201' ' ' GSP . . . . . 1.085 H5'2 ' HD1' ' B' ' 32' ' ' TYR . . . . . . . . 0 O4'--C1' 1.436 1.86 2 O4'-C1'-N19 112.911 4.711 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 202' ' ' ' MG' . . . . . 0.609 'MG ' ' O3G' ' B' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 203' ' ' PCW . . . . . 0.888 H222 ' C18' ' B' ' 209' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 204' ' ' PCW . . . . . 1.105 H211 ' H57' ' A' ' 416' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 205' ' ' PCW . . . . . 1.099 H172 ' H40' ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 206' ' ' PCW . . . . . 1.098 ' H31' ' C4 ' ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 207' ' ' PCW . . . . . 1.015 ' H19' H19A ' B' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 208' ' ' PCW . . . . . 1.031 H472 H432 ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 209' ' ' 17F . . . . . 1.139 ' H55' H481 ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 210' ' ' 17F . . . . . 1.038 ' H60' H441 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 211' ' ' 17F . . . . . 0.981 ' H30' H451 ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 201' ' ' GSP . . . . . 0.88 H5'2 ' CD1' ' C' ' 32' ' ' TYR . . . . . . . . 0 O4'--C1' 1.436 1.843 2 O4'-C1'-N19 112.5 4.3 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 202' ' ' ' MG' . . . . . 0.625 'MG ' ' O3G' ' C' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 203' ' ' PCW . . . . . 1.01 H132 H171 ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 204' ' ' PCW . . . . . 1.03 H461 H421 ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 205' ' ' PCW . . . . . 1.064 ' H2 ' ' H32' ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 206' ' ' PCW . . . . . 0.946 H171 H182 ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 207' ' ' PCW . . . . . 1.056 ' H19' ' H57' ' C' ' 213' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 208' ' ' PCW . . . . . 1.142 ' H42' ' H2 ' ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 209' ' ' PCW . . . . . 1.073 ' O11' ' H51' ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 210' ' ' PCW . . . . . 1.121 ' O31' H352 ' C' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 211' ' ' PCW . . . . . 1.022 ' H63' H321 ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 212' ' ' PCW . . . . . 1.082 H241 ' H20' ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 213' ' ' 17F . . . . . 1.056 ' H57' ' H19' ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 214' ' ' 17F . . . . . 1.059 ' H53' H262 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 215' ' ' 17F . . . . . 1.04 ' H76' H251 ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 216' ' ' PCW . . . . . 1.045 H442 H341 ' C' ' 217' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 217' ' ' PCW . . . . . 1.045 H341 H442 ' C' ' 216' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 218' ' ' 17F . . . . . 1.106 H18A ' O7 ' ' C' ' 218' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 219' ' ' 17F . . . . . 1.099 ' H39' ' H47' ' C' ' 218' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 55.4 mt . . . . . 0 N--CA 1.454 -0.252 0 CA-C-O 121.071 0.462 . . . . 10.0 110.275 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 18.2 tttm -64.53 -41.55 96.3 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.461 -0.791 . . . . 10.0 111.323 -179.424 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 96.4 mt -65.66 -29.0 69.51 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.903 0.334 . . . . 10.0 111.903 -179.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 45.8 mt -82.2 -50.9 8.48 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.51 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -63.32 -43.42 97.83 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.579 -0.737 . . . . 10.0 112.495 -179.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -69.95 -23.73 63.24 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.845 0.355 . . . . 10.0 111.409 -179.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 27.6 t90 -77.82 -26.3 49.46 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.212 0.53 . . . . 10.0 109.654 179.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -61.48 -28.8 69.55 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.427 -0.806 . . . . 10.0 110.9 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -74.2 -25.76 59.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.825 -0.625 . . . . 10.0 109.654 178.613 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 5.0 t -77.18 -46.42 28.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.153 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -59.39 -44.19 92.82 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.749 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 2.3 p -62.05 -42.59 99.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.801 0.334 . . . . 10.0 110.366 179.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 40.2 m -63.75 -39.45 94.3 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 109.693 -0.484 . . . . 10.0 109.693 178.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -62.12 -42.48 99.28 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 116.111 -0.495 . . . . 10.0 109.791 178.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 14.1 m -63.13 -44.89 94.3 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.956 -0.566 . . . . 10.0 110.128 179.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 45.1 mmtt -61.89 -43.27 99.18 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 115.946 -0.57 . . . . 10.0 109.849 178.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 217' ' ' LEU . . . . . 0.944 HD13 H222 ' A' ' 405' ' ' PCW . 21.0 mt -59.74 -43.23 94.34 Favored 'General case' 0 C--O 1.221 -0.408 0 CA-C-N 115.696 -0.684 . . . . 10.0 110.135 178.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 -65.44 -31.79 73.06 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.107 0.479 . . . . 10.0 110.918 179.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -69.37 -27.95 65.77 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 109.282 -0.636 . . . . 10.0 109.282 178.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -87.95 -34.98 17.91 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.448 -0.796 . . . . 10.0 109.756 179.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 221' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' A' ' 217' ' ' LEU . 30.6 mt -55.97 -36.49 67.9 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 115.749 -0.659 . . . . 10.0 111.747 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -54.42 -68.88 1.44 Allowed Glycine 0 C--N 1.335 0.504 0 N-CA-C 110.702 -0.959 . . . . 10.0 110.702 178.308 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -55.68 -39.92 88.3 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.514 2.143 . . . . 10.0 111.403 177.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 224' ' ' VAL . . . . . 0.426 ' O ' ' HB2' ' A' ' 228' ' ' PHE . 11.4 t -56.27 -54.02 32.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-N 116.564 -0.289 . . . . 10.0 111.669 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 11.7 p -64.77 -36.5 84.5 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.892 -0.323 . . . . 10.0 110.499 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -63.5 -51.0 67.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.639 179.206 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -66.86 -36.55 82.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.078 0.466 . . . . 10.0 110.231 179.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 228' ' ' PHE . . . . . 0.426 ' HB2' ' O ' ' A' ' 224' ' ' VAL . 3.4 t80 -66.66 -50.61 62.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.504 179.352 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -66.31 -34.77 78.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.056 -0.52 . . . . 10.0 111.079 179.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -61.43 -43.28 99.14 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.626 -0.509 . . . . 10.0 109.626 179.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 231' ' ' ASN . . . . . 0.618 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 85.6 m-20 -72.49 -35.58 68.21 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 115.731 -0.668 . . . . 10.0 110.106 178.64 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 41.5 mt -60.8 -38.59 85.88 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.378 -0.601 . . . . 10.0 109.378 178.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 233' ' ' GLU . . . . . 0.459 ' O ' ' HB2' ' A' ' 237' ' ' GLU . 6.7 mm-40 -65.14 -31.21 72.29 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.732 -0.667 . . . . 10.0 110.734 178.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 234' ' ' LYS . . . . . 0.618 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 74.4 mttt -72.29 -43.58 64.02 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.343 -0.614 . . . . 10.0 109.343 179.376 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 235' ' ' GLU . . . . . 0.505 ' HG3' ' ND2' ' D' ' 539' ' ' ASN . 43.7 mt-10 -63.95 -44.65 92.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.164 179.053 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 6.4 p -67.8 -40.18 83.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.709 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 237' ' ' GLU . . . . . 0.617 ' HA ' ' HD2' ' A' ' 240' ' ' ARG . 20.5 tt0 -59.96 -41.2 91.43 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 109.893 -0.41 . . . . 10.0 109.893 179.046 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -62.14 -45.18 96.59 Favored Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 110.186 -1.165 . . . . 10.0 110.186 177.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 239' ' ' LEU . . . . . 0.458 ' HA ' ' HB2' ' A' ' 242' ' ' GLU . 94.0 mt -65.95 -31.02 71.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.906 0.384 . . . . 10.0 110.491 179.137 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 240' ' ' ARG . . . . . 0.617 ' HD2' ' HA ' ' A' ' 237' ' ' GLU . 64.2 mtt180 -66.11 -38.93 89.42 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 109.601 -0.518 . . . . 10.0 109.601 178.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -74.81 -36.06 62.47 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.857 -0.794 . . . . 10.0 108.857 178.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 242' ' ' GLU . . . . . 0.458 ' HB2' ' HA ' ' A' ' 239' ' ' LEU . 21.3 mt-10 -65.04 -27.17 68.61 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.474 -0.785 . . . . 10.0 110.13 178.299 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 243' ' ' MET . . . . . 0.849 ' HG3' HD12 ' A' ' 247' ' ' LEU . 41.0 ttm -55.41 -34.2 64.18 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.362 179.208 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.99 -2.81 10.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.801 -0.636 . . . . 10.0 111.051 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 245' ' ' LYS . . . . . 0.775 ' HA ' ' HG3' ' A' ' 249' ' ' GLU . 58.0 mttm -130.55 -61.68 0.95 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.408 -0.36 . . . . 10.0 110.511 179.636 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 246' ' ' ASP . . . . . 0.673 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 20.6 t70 -54.75 -34.36 62.46 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.948 -178.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 247' ' ' LEU . . . . . 0.849 HD12 ' HG3' ' A' ' 243' ' ' MET . 96.3 mt -107.48 -44.04 4.39 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.454 -0.339 . . . . 10.0 111.837 -179.664 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -65.4 -42.04 93.0 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.651 0.612 . . . . 10.0 112.651 -179.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 249' ' ' GLU . . . . . 0.775 ' HG3' ' HA ' ' A' ' 245' ' ' LYS . 52.2 mt-10 -67.89 -36.86 80.97 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.793 -0.363 . . . . 10.0 110.229 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 250' ' ' VAL . . . . . 0.725 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 1.6 p -69.68 -20.84 23.98 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.388 0 CA-C-O 121.045 0.45 . . . . 10.0 110.439 179.434 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 23.0 mmtp -79.99 -42.5 23.76 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.077 -0.712 . . . . 10.0 109.077 178.049 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -73.11 -40.62 64.81 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.721 -0.672 . . . . 10.0 110.731 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -77.61 -19.67 55.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.077 -0.511 . . . . 10.0 111.675 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 254' ' ' VAL . . . . . 0.725 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.3 OUTLIER -61.25 -26.68 39.98 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.152 0 N-CA-C 109.989 -0.375 . . . . 10.0 109.989 179.466 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 255' ' ' GLN . . . . . 0.495 ' HB2' ' CD ' ' A' ' 256' ' ' PRO . 73.6 mt-30 -63.3 -66.25 1.64 Allowed Pre-proline 0 CA--C 1.536 0.413 0 CA-C-N 115.855 -0.612 . . . . 10.0 110.823 179.424 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 256' ' ' PRO . . . . . 0.495 ' CD ' ' HB2' ' A' ' 255' ' ' GLN . 19.2 Cg_endo -61.72 -32.53 86.57 Favored 'Trans proline' 0 C--N 1.357 1.014 0 C-N-CA 121.792 1.661 . . . . 10.0 111.849 179.494 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 5.3 m-30 -64.89 -53.63 43.47 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.451 -0.34 . . . . 10.0 110.649 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 64.3 mt -71.61 -36.3 70.75 Favored 'General case' 0 C--O 1.222 -0.393 0 CA-C-N 116.323 -0.399 . . . . 10.0 110.769 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -62.67 -42.23 99.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.686 0.279 . . . . 10.0 111.231 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -64.99 -44.74 88.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.037 0.446 . . . . 10.0 109.953 179.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -67.88 -42.4 81.29 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.655 -0.702 . . . . 10.0 110.794 179.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -62.56 -44.94 95.09 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.448 -0.342 . . . . 10.0 110.543 179.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 263' ' ' LYS . . . . . 0.473 ' O ' ' HG3' ' A' ' 267' ' ' GLU . 1.3 ttmp? -62.87 -44.41 96.18 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.742 -0.466 . . . . 10.0 109.742 179.513 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 264' ' ' LYS . . . . . 0.763 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 35.9 mttt -64.23 -38.47 91.16 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.792 -0.64 . . . . 10.0 109.974 178.734 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -66.15 -37.27 85.27 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.801 -0.636 . . . . 10.0 110.172 178.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -61.41 -44.97 96.22 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.857 -0.794 . . . . 10.0 108.857 178.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 267' ' ' GLU . . . . . 0.473 ' HG3' ' O ' ' A' ' 263' ' ' LYS . 52.8 mt-10 -64.93 -44.66 88.78 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.706 -0.679 . . . . 10.0 109.45 178.604 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -58.88 -51.31 70.56 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.745 -0.661 . . . . 10.0 110.966 179.293 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 28.8 mmm -62.42 -43.36 98.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.888 -0.597 . . . . 10.0 111.354 -179.373 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -63.64 -45.51 89.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.397 -0.365 . . . . 10.0 110.374 178.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 52.1 mt -61.87 -37.36 84.26 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-O 121.045 0.45 . . . . 10.0 110.163 178.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 272' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -64.93 -38.26 90.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 10.0 109.956 178.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 273' ' ' ARG . . . . . 0.619 ' HA ' HG12 ' A' ' 276' ' ' VAL . 78.7 mtt180 -70.7 -41.98 71.25 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.276 0.56 . . . . 10.0 110.07 179.134 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -64.63 -19.59 65.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.167 -0.924 . . . . 10.0 110.079 179.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 275' ' ' LYS . . . . . 0.687 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 12.8 mptt -98.35 -46.58 5.74 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.993 -0.548 . . . . 10.0 110.552 179.387 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 276' ' ' VAL . . . . . 0.619 HG12 ' HA ' ' A' ' 273' ' ' ARG . 3.9 p -54.93 -31.51 24.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 112.768 0.655 . . . . 10.0 112.768 -178.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -66.06 -63.88 2.84 Favored Pre-proline 0 CA--C 1.536 0.417 0 N-CA-C 111.641 0.237 . . . . 10.0 111.641 179.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -64.18 -36.13 48.64 Favored 'Trans proline' 0 C--N 1.356 0.931 0 C-N-CA 121.849 1.699 . . . . 10.0 112.435 178.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 279' ' ' LEU . . . . . 0.848 HD22 ' HE3' ' D' ' 495' ' ' LYS . 19.2 mt -63.18 -36.17 82.74 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-O 120.749 0.309 . . . . 10.0 110.202 179.684 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -64.81 -34.96 79.59 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 116.181 -0.463 . . . . 10.0 109.83 179.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -62.25 -47.14 85.68 Favored 'General case' 0 C--N 1.332 -0.168 0 O-C-N 123.279 0.362 . . . . 10.0 110.184 179.312 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -62.9 -39.9 95.91 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.7 -0.682 . . . . 10.0 110.19 179.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 84.6 mt -70.45 -38.86 74.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.922 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -67.92 -55.48 12.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.343 -0.389 . . . . 10.0 110.549 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -62.65 -38.21 89.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.923 -0.581 . . . . 10.0 110.92 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -66.18 -45.99 82.87 Favored Glycine 0 N--CA 1.444 -0.788 0 N-CA-C 111.093 -0.803 . . . . 10.0 111.093 178.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -61.43 -38.57 87.65 Favored 'General case' 0 CA--C 1.517 -0.318 0 N-CA-C 110.354 -0.239 . . . . 10.0 110.354 179.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 65.5 mtt180 -55.78 -50.03 71.56 Favored 'General case' 0 CA--C 1.52 -0.18 0 O-C-N 123.575 0.547 . . . . 10.0 110.411 179.11 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 4.2 tm0? -66.38 -45.53 79.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.965 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -60.46 -44.65 95.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.345 -0.389 . . . . 10.0 111.062 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 68.1 mt -65.15 -39.06 92.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 10.0 109.873 178.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -64.52 -44.45 90.86 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 115.893 -0.594 . . . . 10.0 109.767 178.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.73 -42.66 84.31 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 121.41 0.624 . . . . 10.0 109.619 178.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 95.6 mt -66.28 -43.92 85.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.53 -0.759 . . . . 10.0 110.123 178.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -63.13 -34.6 77.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.207 -0.451 . . . . 10.0 110.915 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -65.07 -11.53 40.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.934 -0.576 . . . . 10.0 110.924 179.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . 0.507 ' O ' ' HB2' ' A' ' 301' ' ' LEU . 29.2 mmtp -114.64 -38.55 3.97 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.321 178.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 298' ' ' LEU . . . . . 0.51 ' O ' ' HA3' ' A' ' 302' ' ' GLY . 61.4 mt -59.2 -28.59 66.79 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.72 0.637 . . . . 10.0 112.72 -179.409 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 299' ' ' SER . . . . . . . . . . . . . 20.1 m -84.21 -63.02 0.25 Allowed Pre-proline 0 CA--C 1.539 0.539 0 N-CA-C 112.853 0.686 . . . . 10.0 112.853 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 300' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -64.13 -50.02 3.25 Favored 'Trans proline' 0 C--N 1.355 0.883 0 C-N-CA 121.468 1.445 . . . . 10.0 111.834 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 301' ' ' LEU . . . . . 0.664 HD13 ' HG2' ' D' ' 473' ' ' LYS . 95.7 mt -72.77 -25.51 61.2 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.95 -0.389 . . . . 10.0 109.95 179.743 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 302' ' ' GLY . . . . . 0.51 ' HA3' ' O ' ' A' ' 298' ' ' LEU . . . -67.53 -46.75 66.94 Favored Glycine 0 N--CA 1.448 -0.546 0 N-CA-C 110.135 -1.186 . . . . 10.0 110.135 178.29 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -68.63 -34.19 75.31 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.633 -0.506 . . . . 10.0 109.633 178.08 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -65.66 -36.0 82.41 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.831 -0.803 . . . . 10.0 108.831 178.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 15.3 tpt -63.55 -41.09 98.45 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 108.803 -0.814 . . . . 10.0 108.803 178.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 306' ' ' ARG . . . . . 0.45 ' HG3' ' O ' ' A' ' 302' ' ' GLY . 72.4 mtt180 -68.53 -40.03 80.9 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.416 -0.811 . . . . 10.0 109.329 179.107 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -59.26 -45.18 91.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.419 -0.809 . . . . 10.0 109.633 178.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 308' ' ' ARG . . . . . 0.69 ' HG3' HD11 ' D' ' 469' ' ' LEU . 21.4 mmt180 -72.31 -33.14 67.15 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.495 -0.775 . . . . 10.0 110.354 178.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 309' ' ' ALA . . . . . 0.553 ' HA ' ' HB2' ' A' ' 312' ' ' HIS . . . -65.96 -32.65 74.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.063 -0.517 . . . . 10.0 109.721 178.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 310' ' ' ARG . . . . . 0.497 ' O ' ' HB2' ' A' ' 314' ' ' ASP . 97.1 mtt180 -58.75 -54.99 40.87 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 108.68 -0.859 . . . . 10.0 108.68 177.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -63.58 -38.39 90.93 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 115.762 -0.654 . . . . 10.0 109.997 179.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 312' ' ' HIS . . . . . 0.553 ' HB2' ' HA ' ' A' ' 309' ' ' ALA . 0.1 OUTLIER -52.55 -54.7 29.26 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 115.827 -0.624 . . . . 10.0 110.079 178.941 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 47.6 t -76.34 -36.93 30.45 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 CA-C-N 115.775 -0.648 . . . . 10.0 111.753 -179.368 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 314' ' ' ASP . . . . . 0.497 ' HB2' ' O ' ' A' ' 310' ' ' ARG . 0.4 OUTLIER -61.23 -46.5 90.13 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.842 0.353 . . . . 10.0 111.014 -179.661 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -65.35 -32.01 73.43 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.546 -0.539 . . . . 10.0 109.546 178.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 12.0 mt -67.69 -49.01 64.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.589 -0.732 . . . . 10.0 109.31 178.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 317' ' ' ARG . . . . . 0.438 HH11 ' HD2' ' A' ' 317' ' ' ARG . 35.2 ttm105 -60.58 -40.28 91.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.063 179.216 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 86.4 m -61.1 -30.38 70.32 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.489 -0.778 . . . . 10.0 110.729 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 27.5 m80 -91.25 -36.12 14.08 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.362 -0.381 . . . . 10.0 110.42 179.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 35.4 mt -63.58 -37.14 86.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.847 -0.615 . . . . 10.0 112.506 -179.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 321' ' ' ALA . . . . . 0.408 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -53.52 -60.07 7.95 Favored Pre-proline 0 CA--C 1.536 0.435 0 N-CA-C 111.829 0.307 . . . . 10.0 111.829 179.408 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . 0.408 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 31.7 Cg_endo -67.54 -32.88 30.38 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 121.631 1.554 . . . . 10.0 111.179 178.225 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 323' ' ' TYR . . . . . 0.518 ' O ' ' HB2' ' A' ' 327' ' ' LEU . 4.7 m-30 -61.29 -46.48 90.14 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-N 116.569 -0.287 . . . . 10.0 110.874 179.567 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 324' ' ' SER . . . . . 0.416 ' O ' ' HG3' ' A' ' 328' ' ' ARG . 12.8 p -71.74 -34.17 69.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.065 0.459 . . . . 10.0 109.924 179.327 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -60.5 -51.68 68.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.769 -0.65 . . . . 10.0 109.384 178.436 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -69.44 -27.96 65.7 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.892 -0.595 . . . . 10.0 109.816 178.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . 0.518 ' HB2' ' O ' ' A' ' 323' ' ' TYR . 0.5 OUTLIER -65.22 -38.37 90.18 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.341 -0.614 . . . . 10.0 109.341 178.541 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 328' ' ' ARG . . . . . 0.416 ' HG3' ' O ' ' A' ' 324' ' ' SER . 63.6 mtt180 -65.18 -35.77 82.11 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.369 -0.604 . . . . 10.0 109.369 178.343 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -67.58 -42.36 82.65 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 108.249 -1.019 . . . . 10.0 108.249 178.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 330' ' ' ARG . . . . . 0.651 HH21 ' HB3' ' D' ' 447' ' ' GLU . 22.3 mtt-85 -63.1 -46.37 87.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.311 -0.858 . . . . 10.0 110.071 179.127 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 89.3 mt -56.72 -43.31 80.47 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.646 -0.501 . . . . 10.0 109.646 179.038 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -65.24 -46.46 80.48 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.644 -0.707 . . . . 10.0 110.251 179.003 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -59.83 -42.71 94.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.953 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 334' ' ' ARG . . . . . 0.559 ' HD2' ' OE1' ' D' ' 440' ' ' GLU . 8.7 mmt180 -67.75 -48.48 66.29 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.038 179.462 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 56.1 mt -63.45 -39.3 94.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.86 -0.609 . . . . 10.0 112.275 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -60.15 -49.51 77.35 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 120.907 0.384 . . . . 10.0 110.266 179.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -65.48 -45.56 83.19 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.806 -0.634 . . . . 10.0 110.238 179.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 23.7 mt -64.23 -23.5 67.33 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.2 -0.454 . . . . 10.0 112.104 179.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -85.71 -47.95 9.3 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 122.058 -0.401 . . . . 10.0 110.7 179.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.01 -41.61 97.41 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.044 0.449 . . . . 10.0 109.875 179.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -75.95 -35.72 59.59 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.823 -0.806 . . . . 10.0 108.823 178.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -61.45 -44.38 98.09 Favored Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 115.648 -0.706 . . . . 10.0 111.544 179.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -61.75 -36.57 92.92 Favored Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 110.482 -1.047 . . . . 10.0 110.482 178.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -66.59 -43.81 83.87 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 109.322 -0.621 . . . . 10.0 109.322 178.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 345' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 345' ' ' ARG . 16.5 mtm180 -62.83 -44.07 97.12 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.27 179.1 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 346' ' ' LEU . . . . . 0.483 ' O ' ' HB2' ' A' ' 350' ' ' HIS . 56.1 mt -60.74 -43.37 98.02 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.791 179.479 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -66.87 -36.68 82.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.196 0.522 . . . . 10.0 109.863 178.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 348' ' ' GLU . . . . . 0.487 ' O ' ' HG3' ' A' ' 352' ' ' LYS . 8.1 mt-10 -66.38 -52.78 43.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.67 -0.695 . . . . 10.0 110.012 178.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -63.69 -29.54 70.76 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.035 -0.53 . . . . 10.0 111.012 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 350' ' ' HIS . . . . . 0.483 ' HB2' ' O ' ' A' ' 346' ' ' LEU . 0.3 OUTLIER -65.88 -44.3 85.72 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.39 -0.967 . . . . 10.0 108.39 178.102 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -67.78 -43.63 79.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.394 -0.821 . . . . 10.0 109.847 179.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 352' ' ' LYS . . . . . 0.487 ' HG3' ' O ' ' A' ' 348' ' ' GLU . 28.1 mttm -59.49 -42.23 91.67 Favored 'General case' 0 C--O 1.225 -0.201 0 CA-C-N 115.813 -0.631 . . . . 10.0 110.026 178.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -60.01 -41.12 91.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.857 -0.61 . . . . 10.0 110.016 178.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 7.8 m -63.39 -41.97 98.79 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.187 -0.46 . . . . 10.0 109.941 178.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -68.65 -33.17 73.53 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.546 179.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 10.3 m-70 -72.43 -32.04 65.99 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 109.148 -0.686 . . . . 10.0 109.148 178.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 33.2 mt -72.08 -38.49 69.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.017 -0.538 . . . . 10.0 111.211 179.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.19 -47.04 78.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.952 0.406 . . . . 10.0 110.079 179.162 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 7.5 p -69.47 -29.27 66.91 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.945 -0.571 . . . . 10.0 109.693 179.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 360' ' ' LEU . . . . . 0.469 ' HA ' ' HE3' ' A' ' 363' ' ' LYS . 51.6 tp -68.54 -32.98 73.31 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 108.788 -0.819 . . . . 10.0 108.788 178.132 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 50.9 m -65.72 -32.0 73.3 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.783 -0.644 . . . . 10.0 109.782 179.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -68.22 -19.56 64.76 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.694 0.759 . . . . 10.0 109.513 178.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 363' ' ' LYS . . . . . 0.729 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 51.7 mtmt -99.32 -32.28 11.26 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.487 -0.779 . . . . 10.0 110.018 178.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -75.44 -29.07 59.58 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.851 -0.613 . . . . 10.0 112.057 -179.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 365' ' ' LYS . . . . . 0.979 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 66.9 mttt -106.67 -73.44 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.436 0 N-CA-C 112.521 0.563 . . . . 10.0 112.521 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 366' ' ' PRO . . . . . 0.979 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 51.8 Cg_exo -58.31 -53.27 4.31 Favored 'Trans proline' 0 C--N 1.36 1.177 0 C-N-CA 122.22 1.947 . . . . 10.0 113.02 -179.531 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 367' ' ' ALA . . . . . 0.729 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -63.3 -50.21 70.96 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.242 0.46 . . . . 10.0 112.242 -179.582 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 368' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 368' ' ' LEU . 7.8 mt -61.0 -40.79 94.86 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.706 0.261 . . . . 10.0 111.706 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -66.81 -41.83 86.91 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.858 -0.423 . . . . 10.0 109.858 179.114 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -60.55 -45.79 92.57 Favored 'General case' 0 C--O 1.232 0.143 0 N-CA-C 109.197 -0.668 . . . . 10.0 109.197 178.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 91.7 mt -63.1 -40.91 99.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.563 -0.744 . . . . 10.0 109.955 178.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 86.0 mtt180 -61.63 -47.17 86.61 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.48 178.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 373' ' ' GLN . . . . . 0.468 ' HA ' HD12 ' A' ' 376' ' ' LEU . 84.8 mt-30 -64.75 -33.73 76.65 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.68 -0.691 . . . . 10.0 110.36 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -73.65 -34.2 57.06 Favored Glycine 0 N--CA 1.447 -0.581 0 N-CA-C 111.022 -0.831 . . . . 10.0 111.022 178.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 375' ' ' LEU . . . . . 0.496 ' O ' ' HG ' ' A' ' 379' ' ' LEU . 61.8 mt -70.55 -28.8 65.2 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 115.791 -0.204 . . . . 10.0 111.328 179.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 376' ' ' LEU . . . . . 0.468 HD12 ' HA ' ' A' ' 373' ' ' GLN . 77.8 mt -49.24 -62.56 2.31 Favored Pre-proline 0 CA--C 1.534 0.356 0 N-CA-C 112.352 0.501 . . . . 10.0 112.352 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 377' ' ' PRO . . . . . 0.446 ' HD3' ' HB2' ' A' ' 376' ' ' LEU . 54.7 Cg_endo -71.38 -25.91 21.08 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 121.575 1.516 . . . . 10.0 111.313 179.05 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 378' ' ' VAL . . . . . 0.467 ' HB ' ' HA ' ' A' ' 375' ' ' LEU . 4.3 t -63.04 -44.36 99.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 109.618 -0.512 . . . . 10.0 109.618 179.101 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 379' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 375' ' ' LEU . 67.8 mt -66.54 -32.59 74.03 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.381 -0.6 . . . . 10.0 109.381 178.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 380' ' ' GLU . . . . . 0.473 ' O ' HG23 ' A' ' 384' ' ' VAL . 40.3 mm-40 -63.59 -48.95 75.31 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.969 -0.56 . . . . 10.0 109.515 178.529 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.31 -32.62 73.39 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 110.033 -0.358 . . . . 10.0 110.033 178.64 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -66.75 -42.97 85.32 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-N 116.186 -0.461 . . . . 10.0 109.999 178.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 383' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 379' ' ' LEU . 87.7 mttt -61.32 -47.82 84.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.14 179.122 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 384' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 380' ' ' GLU . 56.1 t -59.06 -43.54 89.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.764 -0.653 . . . . 10.0 111.235 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 4.8 p -73.18 -40.93 64.41 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.164 0.431 . . . . 10.0 112.164 -179.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -64.54 -45.84 85.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.607 -0.27 . . . . 10.0 111.169 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 387' ' ' LEU . . . . . 0.467 ' O ' ' HG3' ' A' ' 391' ' ' GLU . 95.1 mt -60.71 -51.61 68.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.3 -0.409 . . . . 10.0 111.388 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 388' ' ' SER . . . . . 0.595 ' HB2' ' HE2' ' D' ' 594' ' ' LYS . 5.6 p -60.38 -40.67 91.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.299 -0.41 . . . . 10.0 111.098 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -61.07 -44.41 97.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.817 0.341 . . . . 10.0 110.532 179.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 74.0 mt -59.65 -41.15 89.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.481 . . . . 10.0 109.987 179.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 391' ' ' GLU . . . . . 0.467 ' HG3' ' O ' ' A' ' 387' ' ' LEU . 8.9 mt-10 -67.14 -41.16 86.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.103 -0.498 . . . . 10.0 109.884 179.032 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -57.67 -50.29 73.67 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 115.955 -0.566 . . . . 10.0 111.199 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -61.44 -44.28 97.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.747 -0.661 . . . . 10.0 110.759 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 50.7 m -65.41 -38.32 89.57 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.111 -0.495 . . . . 10.0 112.043 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 46.2 mtmt -66.79 -35.23 79.59 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.731 0.641 . . . . 10.0 112.731 -179.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 396' ' ' LYS . . . . . 0.559 ' HG2' ' HB2' ' D' ' 587' ' ' ALA . 0.6 OUTLIER -97.09 -44.58 6.91 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 113.934 1.087 . . . . 10.0 113.934 -177.898 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 83.1 mt -76.51 -23.73 53.72 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.667 0.618 . . . . 10.0 112.667 -178.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 45.3 t30 . . . . . 0 C--N 1.324 -0.536 0 CA-C-O 120.885 0.374 . . . . 10.0 111.291 -179.125 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 399' ' ' LEU . . . . . 0.422 HD13 ' HA ' ' D' ' 399' ' ' LEU . 3.9 mm? . . . . . 0 CA--C 1.522 -0.116 0 CA-C-O 121.202 0.525 . . . . 10.0 110.752 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.85 30.94 5.87 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.76 -0.655 . . . . 10.0 109.961 179.532 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 401' ' ' LEU . . . . . 0.424 ' HG ' ' H ' ' D' ' 401' ' ' LEU . 4.3 mt -58.69 -49.07 78.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.247 -0.888 . . . . 10.0 110.283 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 71.0 mt -64.05 -33.75 76.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.376 -0.829 . . . . 10.0 110.943 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.87 -51.25 63.03 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.94 -0.573 . . . . 10.0 109.611 179.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 404' ' ' ASN . . . . . 0.454 ' O ' HG23 ' D' ' 408' ' ' VAL . 27.6 t-20 -63.9 -40.74 97.22 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-O 120.979 0.419 . . . . 10.0 110.318 179.294 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 1.6 m95 -59.73 -39.13 83.68 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.099 178.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -60.98 -46.69 89.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.769 -0.65 . . . . 10.0 110.401 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 1.5 m -60.73 -44.83 96.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.745 -0.661 . . . . 10.0 110.194 179.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 408' ' ' VAL . . . . . 0.454 HG23 ' O ' ' D' ' 404' ' ' ASN . 62.9 t -64.05 -41.81 93.66 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.478 179.523 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 33.9 m -61.78 -38.26 87.38 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 109.656 -0.498 . . . . 10.0 109.656 178.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 35.4 m -64.64 -40.53 95.61 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 109.286 -0.635 . . . . 10.0 109.286 178.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 411' ' ' THR . . . . . 0.568 HG23 ' HD3' ' A' ' 363' ' ' LYS . 11.0 m -63.12 -43.69 97.7 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 109.693 -0.484 . . . . 10.0 109.693 178.324 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -60.48 -38.8 85.43 Favored 'General case' 0 C--O 1.232 0.155 0 N-CA-C 109.595 -0.521 . . . . 10.0 109.595 178.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 413' ' ' SER . . . . . 0.533 ' O ' ' HG3' ' D' ' 417' ' ' GLU . 36.5 m -63.69 -46.11 87.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.669 -0.696 . . . . 10.0 109.643 178.698 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 414' ' ' LYS . . . . . 0.488 ' HD3' ' HA ' ' D' ' 414' ' ' LYS . 37.2 mmtt -60.16 -35.02 74.41 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.378 179.239 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 75.0 mt -66.92 -40.7 87.71 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.033 178.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 61.3 mtt180 -66.71 -36.17 81.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.134 -0.484 . . . . 10.0 110.633 179.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 417' ' ' GLU . . . . . 0.533 ' HG3' ' O ' ' D' ' 413' ' ' SER . 44.9 mt-10 -66.17 -18.66 65.49 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 115.786 -0.643 . . . . 10.0 110.185 178.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -94.95 -50.39 5.13 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 115.716 -0.675 . . . . 10.0 109.481 178.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 78.8 mt -46.65 -43.82 17.89 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.523 -0.762 . . . . 10.0 112.305 -179.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -55.39 -72.04 0.63 Allowed Glycine 0 CA--C 1.519 0.302 0 C-N-CA 121.203 -0.522 . . . . 10.0 112.273 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 421' ' ' PRO . . . . . 0.538 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 52.8 Cg_exo -57.58 -39.07 91.22 Favored 'Trans proline' 0 CA--C 1.533 0.455 0 C-N-CA 122.783 2.322 . . . . 10.0 112.294 178.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 8.7 t -57.55 -50.44 77.21 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.32 0 N-CA-C 112.177 0.436 . . . . 10.0 112.177 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 8.1 p -63.74 -35.36 80.31 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.796 -0.361 . . . . 10.0 111.382 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -60.77 -54.04 50.0 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.88 -0.415 . . . . 10.0 109.88 179.114 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 425' ' ' GLU . . . . . 0.538 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 10.9 pt-20 -73.24 -28.78 62.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.046 -0.525 . . . . 10.0 111.586 -179.444 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 426' ' ' PHE . . . . . 0.411 ' O ' ' HG ' ' D' ' 430' ' ' LEU . 31.4 t80 -66.66 -43.91 83.28 Favored 'General case' 0 CA--C 1.519 -0.228 0 N-CA-C 109.375 -0.602 . . . . 10.0 109.375 178.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 427' ' ' TRP . . . . . 0.531 ' O ' ' HG3' ' D' ' 431' ' ' GLU . 23.2 m0 -65.4 -38.67 90.67 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 108.899 -0.778 . . . . 10.0 108.899 177.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -65.61 -35.38 80.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.453 -0.794 . . . . 10.0 109.597 178.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 24.0 t30 -70.92 -41.91 70.59 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 108.647 -0.872 . . . . 10.0 108.647 178.016 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 430' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' D' ' 426' ' ' PHE . 61.6 mt -59.17 -35.69 74.0 Favored 'General case' 0 C--O 1.218 -0.569 0 CA-C-N 115.073 -0.967 . . . . 10.0 110.593 179.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 431' ' ' GLU . . . . . 0.531 ' HG3' ' O ' ' D' ' 427' ' ' TRP . 46.5 mt-10 -62.89 -38.49 91.11 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.325 0.583 . . . . 10.0 109.978 178.563 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 49.2 mttp -68.26 -34.57 76.44 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.718 -0.674 . . . . 10.0 109.761 179.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -78.91 -44.36 22.83 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.762 -0.653 . . . . 10.0 111.637 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 20.5 p -62.83 -57.2 11.7 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 121.187 -0.205 . . . . 10.0 110.487 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 435' ' ' GLU . . . . . 0.546 ' O ' ' HG3' ' D' ' 439' ' ' GLN . 39.0 mm-40 -67.01 -37.23 83.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.32 -0.4 . . . . 10.0 111.242 179.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -61.96 -51.71 55.2 Favored Glycine 0 N--CA 1.451 -0.345 0 N-CA-C 111.101 -0.8 . . . . 10.0 111.101 179.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 92.8 mt -64.87 -24.76 67.63 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 110.143 -0.317 . . . . 10.0 110.143 178.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 68.3 mtt180 -72.4 -28.88 63.26 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 110.374 -0.232 . . . . 10.0 110.374 178.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 439' ' ' GLN . . . . . 0.546 ' HG3' ' O ' ' D' ' 435' ' ' GLU . 78.7 mt-30 -68.54 -29.77 68.41 Favored 'General case' 0 CA--C 1.519 -0.224 0 N-CA-C 108.399 -0.963 . . . . 10.0 108.399 178.071 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 440' ' ' GLU . . . . . 0.559 ' OE1' ' HD2' ' A' ' 334' ' ' ARG . 34.6 mt-10 -83.01 -46.98 12.21 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 114.563 -1.199 . . . . 10.0 109.253 178.493 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.17 -43.7 87.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.115 -0.948 . . . . 10.0 112.667 -179.174 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 3.6 p -57.61 -49.0 77.86 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.974 0.416 . . . . 10.0 110.931 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -68.25 -41.05 81.73 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.913 179.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 444' ' ' ASP . . . . . 0.671 ' O ' ' HB ' ' D' ' 448' ' ' VAL . 28.0 t0 -59.85 -47.02 87.43 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.743 -0.466 . . . . 10.0 109.743 179.374 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 445' ' ' LEU . . . . . 0.439 ' O ' HG12 ' D' ' 448' ' ' VAL . 92.0 mt -67.77 -50.55 56.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.131 -0.486 . . . . 10.0 111.821 179.649 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -58.06 -46.81 84.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.717 0.294 . . . . 10.0 111.348 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 447' ' ' GLU . . . . . 0.651 ' HB3' HH21 ' A' ' 330' ' ' ARG . 15.8 tt0 -72.28 -31.99 66.22 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.488 -0.324 . . . . 10.0 110.969 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 448' ' ' VAL . . . . . 0.671 ' HB ' ' O ' ' D' ' 444' ' ' ASP . 0.3 OUTLIER -65.82 -30.53 50.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 C-N-CA 120.58 -0.448 . . . . 10.0 109.837 179.223 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D ' 449' ' ' LYS . . . . . 0.494 ' O ' ' HG3' ' D' ' 453' ' ' GLN . 94.9 mttt -63.66 -39.11 93.52 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 108.835 -0.802 . . . . 10.0 108.835 178.151 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -88.94 9.5 24.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.68 -0.691 . . . . 10.0 110.734 179.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 451' ' ' LYS . . . . . 0.65 ' O ' ' HB2' ' D' ' 455' ' ' TYR . 54.6 mttm -115.83 -39.94 3.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 10.0 111.03 179.298 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 77.6 t -69.4 -39.26 78.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.557 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 453' ' ' GLN . . . . . 0.494 ' HG3' ' O ' ' D' ' 449' ' ' LYS . 69.4 mt-30 -58.68 -57.91 23.19 Favored Pre-proline 0 CA--C 1.534 0.362 0 N-CA-C 112.037 0.384 . . . . 10.0 112.037 179.533 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -63.99 -28.13 66.31 Favored 'Trans proline' 0 C--N 1.356 0.96 0 C-N-CA 121.757 1.638 . . . . 10.0 110.981 178.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 455' ' ' TYR . . . . . 0.65 ' HB2' ' O ' ' D' ' 451' ' ' LYS . 0.3 OUTLIER -66.58 -43.93 83.61 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 108.3 -1.0 . . . . 10.0 108.3 178.543 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 71.0 mt -67.5 -42.32 83.06 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-N 115.784 -0.644 . . . . 10.0 109.316 178.494 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -59.59 -52.88 63.65 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.835 179.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -62.56 -41.15 98.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.714 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 459' ' ' PHE . . . . . 0.47 ' HD2' ' HA ' ' D' ' 459' ' ' PHE . 0.8 OUTLIER -65.98 -44.74 84.02 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.111 179.157 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -59.41 -41.14 88.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.465 -0.334 . . . . 10.0 110.491 179.028 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 461' ' ' LYS . . . . . 0.551 ' O ' ' HG3' ' D' ' 465' ' ' GLU . 69.4 mttt -62.1 -41.09 97.85 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.54 -0.541 . . . . 10.0 109.54 178.455 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 462' ' ' LYS . . . . . 0.668 ' HB3' H283 ' D' ' 602' ' ' PCW . 1.3 mtmm -69.24 -41.61 76.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.472 -0.785 . . . . 10.0 110.372 178.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 463' ' ' TRP . . . . . 0.511 ' HE1' ' H77' ' D' ' 629' ' ' 17F . 33.1 m0 -65.03 -37.47 87.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.042 0.448 . . . . 10.0 109.835 178.726 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -62.05 -44.45 96.66 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.689 -0.856 . . . . 10.0 108.689 178.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 465' ' ' GLU . . . . . 0.629 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 48.4 mt-10 -57.84 -54.55 45.66 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 108.899 -0.778 . . . . 10.0 108.899 178.524 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -55.2 -49.58 71.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.792 -0.64 . . . . 10.0 111.584 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 71.7 mtm -62.67 -46.06 89.94 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 111.908 0.336 . . . . 10.0 111.908 -179.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -66.12 -33.66 76.28 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.855 0.359 . . . . 10.0 110.362 179.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 469' ' ' LEU . . . . . 0.69 HD11 ' HG3' ' A' ' 308' ' ' ARG . 31.5 mt -70.83 -38.39 73.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 10.0 109.806 178.701 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 7.1 m-30 -61.04 -36.89 80.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.227 0.536 . . . . 10.0 109.656 178.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 471' ' ' ARG . . . . . 0.722 ' HA ' ' HG3' ' D' ' 475' ' ' GLU . 65.1 mtt180 -76.52 -4.19 41.42 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.713 -0.676 . . . . 10.0 111.018 179.291 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -118.21 -3.77 11.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.975 0.417 . . . . 10.0 110.49 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 473' ' ' LYS . . . . . 0.664 ' HG2' HD13 ' A' ' 301' ' ' LEU . 44.3 mttp -127.42 -65.35 0.94 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.554 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 26.2 t -61.16 -41.16 88.37 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.31 0 CA-C-N 116.378 -0.374 . . . . 10.0 111.738 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 475' ' ' GLU . . . . . 0.722 ' HG3' ' HA ' ' D' ' 471' ' ' ARG . 7.5 mm-40 -62.11 -56.31 32.56 Favored Pre-proline 0 CA--C 1.535 0.385 0 N-CA-C 111.502 0.186 . . . . 10.0 111.502 179.118 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 476' ' ' PRO . . . . . 0.711 ' HD3' ' HB2' ' D' ' 475' ' ' GLU . 54.4 Cg_exo -59.52 -38.91 80.02 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 121.745 1.63 . . . . 10.0 110.514 177.346 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 38.2 mt -65.69 -27.18 68.16 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.167 178.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 478' ' ' ARG . . . . . 0.637 ' O ' ' HB2' ' D' ' 482' ' ' GLN . 16.4 mtt-85 -62.91 -36.88 84.84 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 108.435 -0.95 . . . . 10.0 108.435 178.053 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -76.32 -41.94 46.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.36 -0.836 . . . . 10.0 109.823 178.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.35 -44.04 97.86 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.347 0.594 . . . . 10.0 109.701 178.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 93.2 mt -74.39 -28.27 61.02 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.815 -0.629 . . . . 10.0 110.476 179.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 482' ' ' GLN . . . . . 0.637 ' HB2' ' O ' ' D' ' 478' ' ' ARG . 5.9 tt0 -68.94 -49.23 59.83 Favored 'General case' 0 CA--C 1.521 -0.162 0 N-CA-C 109.475 -0.565 . . . . 10.0 109.475 179.185 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.83 -41.03 96.06 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 109.401 -0.592 . . . . 10.0 109.401 178.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -63.77 -40.16 98.19 Favored Glycine 0 N--CA 1.449 -0.481 0 N-CA-C 111.007 -0.837 . . . . 10.0 111.007 178.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -68.9 -36.39 77.99 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 110.054 -0.35 . . . . 10.0 110.054 179.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 77.4 mtt180 -65.29 -45.97 82.27 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.12 -0.696 . . . . 10.0 109.12 178.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 487' ' ' GLN . . . . . 0.471 ' O ' ' HG3' ' D' ' 491' ' ' GLU . 4.7 mm-40 -64.41 -38.43 91.01 Favored 'General case' 0 C--O 1.224 -0.238 0 N-CA-C 108.805 -0.813 . . . . 10.0 108.805 178.029 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 54.2 tttt -63.35 -42.02 98.89 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.734 -0.666 . . . . 10.0 109.632 178.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 36.1 mt -66.44 -37.06 84.33 Favored 'General case' 0 C--O 1.224 -0.276 0 N-CA-C 109.238 -0.652 . . . . 10.0 109.238 178.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 -65.73 -42.68 90.75 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 108.948 -0.76 . . . . 10.0 108.948 178.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 491' ' ' GLU . . . . . 0.471 ' HG3' ' O ' ' D' ' 487' ' ' GLN . 84.9 mt-10 -57.09 -47.2 81.63 Favored 'General case' 0 CA--C 1.521 -0.173 0 N-CA-C 108.365 -0.976 . . . . 10.0 108.365 177.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 492' ' ' LEU . . . . . 0.418 ' O ' ' HG ' ' D' ' 496' ' ' LEU . 59.6 mt -64.15 -43.53 94.92 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 115.392 -0.822 . . . . 10.0 110.556 179.285 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -55.71 -37.51 68.48 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.968 0.413 . . . . 10.0 110.831 179.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -72.02 0.97 8.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.96 -0.564 . . . . 10.0 111.546 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 495' ' ' LYS . . . . . 0.848 ' HE3' HD22 ' A' ' 279' ' ' LEU . 9.8 mttp -125.66 -28.24 3.29 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.717 178.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 496' ' ' LEU . . . . . 0.519 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 73.9 mt -64.14 -37.9 89.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.008 -0.542 . . . . 10.0 111.357 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 497' ' ' SER . . . . . 0.76 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 1.8 m -81.9 -60.61 0.39 Allowed Pre-proline 0 C--N 1.32 -0.703 0 C-N-CA 120.731 -0.387 . . . . 10.0 111.065 178.646 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 498' ' ' PRO . . . . . 0.76 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 44.3 Cg_exo -59.37 -65.4 0.08 OUTLIER 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 122.305 2.004 . . . . 10.0 112.696 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 499' ' ' LEU . . . . . 0.425 ' HB2' ' O ' ' D' ' 495' ' ' LYS . 12.4 mt -66.61 -36.09 81.76 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.651 -0.249 . . . . 10.0 111.19 -179.417 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 500' ' ' GLY . . . . . 0.519 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -58.66 -53.71 43.87 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.84 -0.695 . . . . 10.0 111.785 179.389 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -69.25 -27.49 65.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.823 0.344 . . . . 10.0 110.545 179.261 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 502' ' ' GLU . . . . . 0.481 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 33.4 tt0 -67.64 -42.44 82.26 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 108.678 -0.86 . . . . 10.0 108.678 177.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 503' ' ' MET . . . . . . . . . . . . . 87.9 mmm -63.26 -37.2 86.31 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 109.29 -0.633 . . . . 10.0 109.29 178.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 504' ' ' ARG . . . . . 0.487 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 91.5 mtt180 -63.82 -41.44 97.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.791 -0.64 . . . . 10.0 109.541 178.311 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -63.86 -41.15 97.84 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.505 -0.554 . . . . 10.0 109.505 178.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 506' ' ' ARG . . . . . 0.481 ' HG3' ' O ' ' D' ' 502' ' ' GLU . 60.5 mtt180 -61.4 -42.64 99.05 Favored 'General case' 0 CA--C 1.52 -0.202 0 N-CA-C 108.303 -0.999 . . . . 10.0 108.303 177.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -59.82 -41.52 91.48 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.711 -0.677 . . . . 10.0 109.594 178.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 508' ' ' ARG . . . . . 0.487 ' HG3' ' O ' ' D' ' 504' ' ' ARG . 75.9 mtt180 -60.6 -44.86 95.79 Favored 'General case' 0 C--O 1.223 -0.313 0 N-CA-C 109.154 -0.684 . . . . 10.0 109.154 178.259 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 509' ' ' ALA . . . . . 0.763 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -63.29 -34.9 78.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.849 -0.614 . . . . 10.0 110.678 179.492 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 510' ' ' HIS . . . . . 0.517 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 29.5 m-70 -73.94 -49.88 22.61 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.706 179.208 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 511' ' ' VAL . . . . . 0.479 ' O ' ' HG3' ' D' ' 515' ' ' ARG . 91.6 t -63.24 -41.43 92.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.363 -0.38 . . . . 10.0 110.001 179.628 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 512' ' ' ASP . . . . . 0.403 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 34.6 t70 -61.62 -39.18 90.33 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 109.344 -0.613 . . . . 10.0 109.344 178.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -62.75 -46.78 86.46 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 108.604 -0.888 . . . . 10.0 108.604 178.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 514' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' D' ' 510' ' ' HIS . 89.1 mt -60.22 -27.27 67.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.613 -0.721 . . . . 10.0 110.994 179.511 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 515' ' ' ARG . . . . . 0.479 ' HG3' ' O ' ' D' ' 511' ' ' VAL . 74.6 mtt180 -68.06 -21.43 65.0 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.128 0.49 . . . . 10.0 110.534 178.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 4.4 m -111.22 -15.3 13.68 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.679 179.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 517' ' ' HIS . . . . . . . . . . . . . 35.6 m170 -96.23 -39.62 9.58 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.026 -0.534 . . . . 10.0 111.221 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 88.6 mt -94.85 -54.98 3.26 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.508 0.558 . . . . 10.0 112.508 -178.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 519' ' ' ALA . . . . . 0.65 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -47.96 -59.78 5.29 Favored Pre-proline 0 N--CA 1.47 0.532 0 N-CA-C 114.02 1.118 . . . . 10.0 114.02 -178.556 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 520' ' ' PRO . . . . . 0.65 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 34.9 Cg_exo -63.54 -35.26 60.76 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 121.863 1.709 . . . . 10.0 111.478 179.423 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 521' ' ' TYR . . . . . 0.408 ' HA ' ' OE1' ' D' ' 524' ' ' GLU . 17.6 t80 -66.41 -38.16 86.83 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.498 -0.319 . . . . 10.0 110.265 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 20.7 m -62.01 -34.27 75.89 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.375 -0.602 . . . . 10.0 109.375 178.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.91 -41.23 87.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.788 -0.642 . . . . 10.0 109.64 179.002 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 524' ' ' GLU . . . . . 0.466 ' HG3' ' O ' ' D' ' 520' ' ' PRO . 31.2 mt-10 -68.83 -37.23 79.03 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.465 -0.788 . . . . 10.0 109.372 178.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 20.1 mt -63.6 -35.94 82.16 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.692 -0.685 . . . . 10.0 109.468 178.16 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 526' ' ' ARG . . . . . . . . . . . . . 76.7 mtt180 -62.69 -38.88 92.12 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-N 115.916 -0.584 . . . . 10.0 109.701 178.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -67.79 -42.92 80.89 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-N 116.114 -0.493 . . . . 10.0 109.699 179.27 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 528' ' ' ARG . . . . . 0.673 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 91.8 mtt180 -65.09 -44.46 88.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.635 -0.711 . . . . 10.0 109.279 179.016 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 529' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' D' ' 529' ' ' LEU . 17.9 mt -65.83 -31.14 71.94 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.504 178.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -64.56 -46.89 80.85 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.112 -0.699 . . . . 10.0 109.112 178.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -67.77 -40.85 83.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.794 -0.639 . . . . 10.0 109.575 178.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 532' ' ' ARG . . . . . 0.585 ' O ' ' HG ' ' D' ' 536' ' ' LEU . 22.3 ttm180 -60.67 -48.66 80.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.352 -0.84 . . . . 10.0 109.791 179.032 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 27.9 mt -65.8 -34.57 78.47 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.462 179.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -61.4 -46.09 91.58 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 108.853 -0.795 . . . . 10.0 108.853 178.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 535' ' ' ALA . . . . . 0.454 ' O ' ' HB2' ' D' ' 539' ' ' ASN . . . -65.4 -42.07 92.97 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.766 -0.652 . . . . 10.0 109.837 178.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 536' ' ' LEU . . . . . 0.585 ' HG ' ' O ' ' D' ' 532' ' ' ARG . 90.8 mt -65.63 -27.4 68.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.966 -0.561 . . . . 10.0 111.01 179.477 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -79.91 -45.91 17.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.44 -0.345 . . . . 10.0 110.141 178.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -63.13 -44.74 94.75 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.441 -0.577 . . . . 10.0 109.441 179.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 539' ' ' ASN . . . . . 0.505 ' ND2' ' HG3' ' A' ' 235' ' ' GLU . 1.8 m-20 -71.53 -31.26 66.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.352 -0.84 . . . . 10.0 109.2 178.304 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -65.2 -50.7 55.42 Favored Glycine 0 N--CA 1.446 -0.693 0 N-CA-C 111.092 -0.803 . . . . 10.0 111.092 179.31 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -63.18 -36.58 93.63 Favored Glycine 0 N--CA 1.445 -0.708 0 N-CA-C 110.98 -0.848 . . . . 10.0 110.98 178.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -65.03 -48.86 72.37 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 109.183 -0.673 . . . . 10.0 109.183 178.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 50.1 mtt85 -63.42 -37.97 89.34 Favored 'General case' 0 C--O 1.218 -0.585 0 CA-C-N 115.859 -0.61 . . . . 10.0 110.864 179.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 33.1 mt -59.49 -41.33 89.59 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 109.394 -0.595 . . . . 10.0 109.394 178.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -67.33 -41.12 85.77 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.172 -0.922 . . . . 10.0 109.218 178.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 546' ' ' GLU . . . . . 0.423 ' O ' ' HD2' ' D' ' 550' ' ' LYS . 28.7 mt-10 -64.49 -45.47 87.16 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 115.943 -0.571 . . . . 10.0 109.943 178.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -59.43 -44.65 92.87 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 115.934 -0.575 . . . . 10.0 109.618 178.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.73 -41.25 96.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.57 179.646 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 549' ' ' ALA . . . . . 0.43 ' O ' ' HG3' ' D' ' 553' ' ' GLU . . . -64.64 -51.1 64.35 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.624 -0.51 . . . . 10.0 109.624 178.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 550' ' ' LYS . . . . . 0.423 ' HD2' ' O ' ' D' ' 546' ' ' GLU . 0.1 OUTLIER -63.89 -31.4 72.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.854 179.698 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -66.25 -44.55 83.36 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.059 -0.719 . . . . 10.0 109.059 178.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 10.1 m -64.51 -43.42 94.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.857 -0.61 . . . . 10.0 109.575 178.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 553' ' ' GLU . . . . . 0.43 ' HG3' ' O ' ' D' ' 549' ' ' ALA . 47.1 mt-10 -62.74 -49.26 75.74 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.094 179.185 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 17.4 t60 -61.46 -39.47 90.99 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.119 179.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 61.4 tp -62.46 -36.9 83.92 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.664 -0.495 . . . . 10.0 109.664 178.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 35.3 m -66.38 -46.09 77.85 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.609 -0.723 . . . . 10.0 109.754 178.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 2.5 p -70.76 -25.51 62.94 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.017 0.437 . . . . 10.0 110.619 179.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 4.2 mt -67.27 -55.44 13.92 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 115.804 -0.635 . . . . 10.0 109.898 179.166 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 2.5 p -66.04 -35.99 82.04 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.255 -0.43 . . . . 10.0 110.626 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.41 -26.35 68.44 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.889 179.334 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 561' ' ' LYS . . . . . 0.769 ' HA ' ' HE3' ' D' ' 561' ' ' LYS . 0.1 OUTLIER -98.71 -42.87 7.03 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.213 -0.448 . . . . 10.0 111.253 179.704 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -56.91 -45.32 82.74 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.912 -0.586 . . . . 10.0 112.299 -179.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -53.3 -64.29 1.8 Allowed Pre-proline 0 CA--C 1.539 0.526 0 N-CA-C 112.908 0.707 . . . . 10.0 112.908 -179.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -64.14 -38.57 35.64 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 121.66 1.573 . . . . 10.0 112.145 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -61.92 -53.09 60.58 Favored 'General case' 0 CA--C 1.522 -0.121 0 CA-C-O 120.64 0.257 . . . . 10.0 111.5 -179.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 77.4 mt -63.25 -42.21 99.16 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.564 -0.289 . . . . 10.0 111.22 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -61.82 -47.9 83.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.502 -0.317 . . . . 10.0 110.243 178.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -65.32 -38.54 90.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.093 0.473 . . . . 10.0 110.236 179.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 18.8 mt -59.57 -48.78 80.31 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-N 115.71 -0.677 . . . . 10.0 110.059 178.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 56.6 mtt180 -64.08 -37.9 89.11 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.015 0.436 . . . . 10.0 109.966 179.178 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -66.54 -14.08 61.84 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.598 -0.728 . . . . 10.0 110.491 178.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 572' ' ' GLY . . . . . 0.529 ' O ' ' HB ' ' D' ' 576' ' ' VAL . . . -105.83 -31.97 4.01 Favored Glycine 0 N--CA 1.444 -0.827 0 N-CA-C 110.696 -0.961 . . . . 10.0 110.696 178.577 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 65.6 mt -64.06 -45.23 89.71 Favored 'General case' 0 C--O 1.225 -0.214 0 C-N-CA 122.571 0.348 . . . . 10.0 111.562 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 46.1 mt -56.54 -59.77 11.21 Favored Pre-proline 0 CA--C 1.536 0.437 0 N-CA-C 112.044 0.386 . . . . 10.0 112.044 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -63.39 -34.52 65.84 Favored 'Trans proline' 0 C--N 1.356 0.956 0 C-N-CA 121.751 1.634 . . . . 10.0 112.045 178.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 576' ' ' VAL . . . . . 0.529 ' HB ' ' O ' ' D' ' 572' ' ' GLY . 0.3 OUTLIER -66.58 -36.89 78.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.707 0.289 . . . . 10.0 110.491 179.463 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 52.0 mt -66.85 -40.08 87.79 Favored 'General case' 0 CA--C 1.521 -0.146 0 N-CA-C 109.444 -0.576 . . . . 10.0 109.444 178.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -65.64 -37.74 87.41 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.935 -0.575 . . . . 10.0 109.811 178.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 46.6 m -68.81 -39.73 79.91 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.756 -0.656 . . . . 10.0 109.52 178.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -64.89 -40.71 95.53 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.145 178.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -56.68 -45.34 81.8 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.513 179.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 90.8 t -60.51 -49.7 83.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.362 -0.381 . . . . 10.0 111.119 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 1.3 p -66.32 -42.22 88.54 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.637 -0.256 . . . . 10.0 111.624 -179.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -65.29 -46.5 80.18 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.871 0.323 . . . . 10.0 111.871 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 67.2 mt -62.8 -42.79 99.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.585 -0.28 . . . . 10.0 110.508 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 16.2 m -67.25 -30.86 70.87 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.179 0.514 . . . . 10.0 110.196 179.138 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 587' ' ' ALA . . . . . 0.559 ' HB2' ' HG2' ' A' ' 396' ' ' LYS . . . -72.27 -57.31 4.32 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.468 179.491 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 588' ' ' LEU . . . . . 0.615 HD22 ' H50' ' D' ' 630' ' ' 17F . 87.9 mt -59.42 -41.38 89.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.124 -0.489 . . . . 10.0 111.905 -179.239 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -60.84 -47.96 83.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.91 0.385 . . . . 10.0 110.303 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -68.95 -32.36 71.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.374 -0.376 . . . . 10.0 110.731 179.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -62.95 -36.99 85.3 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.704 -0.48 . . . . 10.0 109.704 178.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 592' ' ' THR . . . . . 0.443 ' O ' ' HB2' ' D' ' 596' ' ' ASN . 7.0 m -66.07 -24.65 66.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.978 -0.556 . . . . 10.0 110.823 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -81.66 -40.37 22.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.164 179.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 594' ' ' LYS . . . . . 0.595 ' HE2' ' HB2' ' A' ' 388' ' ' SER . 10.8 mptt -73.21 -40.16 64.95 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.646 -0.706 . . . . 10.0 110.755 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 57.9 mt -93.37 36.93 1.05 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.264 -0.426 . . . . 10.0 110.561 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 596' ' ' ASN . . . . . 0.443 ' HB2' ' O ' ' D' ' 592' ' ' THR . 3.1 t-20 . . . . . 0 C--N 1.323 -0.569 0 CA-C-N 116.397 -0.365 . . . . 10.0 111.331 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . 0.401 ' HA ' ' O ' ' B' ' 50' ' ' THR . 0.3 OUTLIER . . . . . 0 CA--C 1.535 0.372 0 CA-C-O 120.925 0.393 . . . . 10.0 111.299 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . 0.403 ' HB ' ' CE2' ' B' ' 4' ' ' TYR . 2.1 m -77.43 142.48 39.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.857 -179.493 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -93.23 139.05 31.04 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.321 -0.399 . . . . 10.0 109.983 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' TYR . . . . . 0.403 ' CE2' ' HB ' ' B' ' 2' ' ' THR . 96.9 m-85 -130.7 111.03 11.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.76 0.314 . . . . 10.0 111.332 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.753 ' HA ' ' HB3' ' B' ' 54' ' ' ASP . 60.6 mttm -79.79 110.64 15.33 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.478 -179.743 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.403 ' O ' ' HA ' ' B' ' 55' ' ' ILE . 0.4 OUTLIER -112.65 116.4 30.09 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.867 -178.724 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.59 HG11 ' CD2' ' B' ' 71' ' ' TYR . 22.8 t -102.36 129.79 53.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.486 -0.325 . . . . 10.0 110.204 179.563 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.628 HG12 ' HD2' ' B' ' 16' ' ' LYS . 14.9 t -92.77 116.48 34.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 120.927 0.394 . . . . 10.0 111.248 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 11.3 m -111.97 149.95 14.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.878 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 150.14 163.33 11.09 Favored Glycine 0 N--CA 1.444 -0.827 0 N-CA-C 110.757 -0.937 . . . . 10.0 110.757 -179.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.14 155.97 39.48 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.914 0.387 . . . . 10.0 111.178 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.1 135.06 41.19 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.084 0.468 . . . . 10.0 110.619 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . 0.874 ' HA2' H5'1 ' B' ' 201' ' ' GSP . . . 114.73 -20.27 15.27 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.522 -0.847 . . . . 10.0 111.791 -179.36 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 10.7 m -73.3 -16.21 17.4 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 CA-C-O 120.803 0.335 . . . . 10.0 111.665 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . 0.991 ' HA3' ' H8 ' ' B' ' 201' ' ' GSP . . . 91.54 42.7 4.76 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.822 -0.704 . . . . 10.0 113.561 179.205 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.628 ' HD2' HG12 ' B' ' 8' ' ' VAL . 46.3 mtmt -66.2 -39.66 89.83 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.868 -0.419 . . . . 10.0 109.868 179.469 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . 0.412 ' OG ' ' O2B' ' B' ' 201' ' ' GSP . 6.3 m -76.27 -34.57 59.12 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.242 -0.436 . . . . 10.0 110.906 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . 0.591 ' HB2' " H2'" ' B' ' 201' ' ' GSP . . . -57.49 -42.43 82.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.29 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.718 HD23 ' HB2' ' B' ' 146' ' ' ALA . 30.3 mt -64.01 -46.39 84.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.666 -0.697 . . . . 10.0 110.534 179.24 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 3.0 m -63.54 -44.15 95.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.016 -0.538 . . . . 10.0 111.469 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 97.8 mt -62.62 -37.07 78.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.965 0.412 . . . . 10.0 110.566 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . 0.614 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 1.5 mm-40 -68.02 -26.0 65.67 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.251 0.548 . . . . 10.0 110.481 178.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 36.5 tp -88.63 -38.93 14.43 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.077 -0.511 . . . . 10.0 111.474 -179.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.403 HD11 HD12 ' B' ' 55' ' ' ILE . 46.2 mm -84.23 -61.1 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 112.137 0.421 . . . . 10.0 112.137 -178.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -82.41 -14.56 54.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.72 0.295 . . . . 10.0 111.697 -179.074 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . 0.614 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 32.4 m-80 70.91 30.1 2.9 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 113.355 0.872 . . . . 10.0 113.355 178.397 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 35.4 p80 -149.76 160.92 43.16 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.878 0.371 . . . . 10.0 111.803 178.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' PHE . . . . . 0.5 ' HZ ' ' C4 ' ' B' ' 201' ' ' GSP . 61.5 t80 -97.26 142.97 28.5 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.833 -0.621 . . . . 10.0 110.673 -179.598 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 12.8 m -114.24 137.09 48.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 120.866 0.365 . . . . 10.0 110.914 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -90.26 -26.63 19.95 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.004 -0.543 . . . . 10.0 109.835 179.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -75.46 118.14 18.01 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.614 -0.721 . . . . 10.0 111.496 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . 0.832 ' CD1' H5'2 ' B' ' 201' ' ' GSP . 28.7 t80 -73.89 134.23 43.22 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.817 -0.438 . . . . 10.0 109.817 179.273 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . 0.454 ' HA ' ' HD3' ' B' ' 34' ' ' PRO . 34.8 t70 -127.42 120.92 22.24 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-O 120.928 0.394 . . . . 10.0 111.132 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . 0.65 ' HA ' ' S1G' ' B' ' 201' ' ' GSP . 2.9 Cg_exo -76.83 72.35 5.78 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 123.105 2.537 . . . . 10.0 112.156 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.21 128.88 38.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.112 -0.495 . . . . 10.0 111.577 179.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.84 ' HA ' ' HB2' ' B' ' 59' ' ' ALA . 50.4 mm -91.35 -44.59 14.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.586 -0.524 . . . . 10.0 109.586 179.305 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . 0.463 ' HA ' ' O ' ' B' ' 57' ' ' ASP . 38.8 tt0 -168.21 107.38 0.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.751 -0.659 . . . . 10.0 110.666 179.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -133.95 137.36 44.81 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.305 -0.407 . . . . 10.0 110.186 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 8.5 p -110.83 143.53 41.25 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.194 0.521 . . . . 10.0 111.421 -179.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -135.97 141.54 44.44 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.457 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -113.38 140.45 48.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.816 0.341 . . . . 10.0 111.331 -179.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . 0.497 ' HB3' HD12 ' B' ' 53' ' ' LEU . 53.8 tttp -147.14 134.66 20.89 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.325 179.333 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -112.5 111.91 23.08 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.869 -0.419 . . . . 10.0 109.869 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 2.9 m -132.65 161.09 42.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.123 -0.489 . . . . 10.0 111.166 -179.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 27.9 t -96.36 103.87 15.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.036 179.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 39.8 mt -112.15 121.15 64.02 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 N-CA-C 109.469 -0.567 . . . . 10.0 109.469 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . 0.546 ' HA ' ' HB3' ' C' ' 128' ' ' LYS . 33.0 m-20 62.11 16.52 8.33 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.184 0.516 . . . . 10.0 111.794 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 100.39 -6.96 57.95 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.912 -0.661 . . . . 10.0 112.265 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -102.84 130.7 49.94 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.79 0.329 . . . . 10.0 110.46 -179.62 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . 0.401 ' O ' ' HA ' ' B' ' 1' ' ' SER . 0.2 OUTLIER -83.46 68.98 9.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.445 179.33 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 4.3 m -69.49 149.87 47.81 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.706 -0.679 . . . . 10.0 112.552 -178.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 45.0 tp -105.1 114.08 28.05 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.416 -0.811 . . . . 10.0 109.033 178.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . 0.497 HD12 ' HB3' ' B' ' 42' ' ' LYS . 25.6 mt -83.2 126.92 33.15 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.113 -0.494 . . . . 10.0 111.691 -178.574 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . 0.753 ' HB3' ' HA ' ' B' ' 5' ' ' LYS . 6.7 t70 -113.64 79.4 1.24 Allowed 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 107.98 -1.118 . . . . 10.0 107.98 178.629 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' ILE . . . . . 0.403 ' HA ' ' O ' ' B' ' 6' ' ' LEU . 3.8 mt -80.99 148.24 5.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.919 -0.582 . . . . 10.0 111.949 -177.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 18.4 tp -145.57 118.27 8.64 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.899 -0.591 . . . . 10.0 110.927 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . 0.463 ' O ' ' HA ' ' B' ' 37' ' ' GLU . 32.9 t70 -91.69 125.46 36.42 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 109.335 -0.617 . . . . 10.0 109.335 178.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 26.0 p -108.09 151.88 25.28 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.476 -0.329 . . . . 10.0 111.199 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' ALA . . . . . 0.84 ' HB2' ' HA ' ' B' ' 36' ' ' ILE . . . -71.27 110.35 5.86 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.536 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -91.69 44.93 2.72 Favored Glycine 0 N--CA 1.453 -0.211 0 N-CA-C 111.597 -0.601 . . . . 10.0 111.597 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -106.0 28.21 7.83 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.431 -0.385 . . . . 10.0 110.371 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.428 ' HG3' ' H ' ' B' ' 63' ' ' GLU . 2.8 tp10 66.61 -175.06 0.19 Allowed 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.761 -0.654 . . . . 10.0 111.29 -179.299 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.428 ' H ' ' HG3' ' B' ' 62' ' ' GLU . 1.8 tm-20 60.84 -149.13 0.42 Allowed 'General case' 0 C--O 1.234 0.284 0 N-CA-C 109.344 -0.613 . . . . 10.0 109.344 -178.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 53.28 40.89 31.98 Favored 'General case' 0 C--O 1.234 0.273 0 O-C-N 123.112 0.258 . . . . 10.0 111.496 179.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.6 -43.1 79.8 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 115.948 -0.569 . . . . 10.0 111.564 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.77 -39.84 63.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.807 0.337 . . . . 10.0 110.526 179.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -46.01 92.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.121 -0.491 . . . . 10.0 110.8 179.749 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . 0.775 ' HA ' ' CE1' ' B' ' 71' ' ' TYR . 12.5 mtp180 -62.65 -41.73 99.21 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 115.6 -0.727 . . . . 10.0 111.057 179.72 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.9 -13.26 59.33 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.9 -0.591 . . . . 10.0 112.218 -179.591 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -93.28 -60.39 1.8 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 111.853 0.316 . . . . 10.0 111.853 -179.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' TYR . . . . . 0.775 ' CE1' ' HA ' ' B' ' 68' ' ' ARG . 5.5 p90 -60.29 -25.84 66.04 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 113.328 0.862 . . . . 10.0 113.328 -178.06 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . 0.491 ' HA ' ' HZ ' ' B' ' 78' ' ' PHE . 43.7 mtt -68.87 -28.96 67.17 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.036 0.446 . . . . 10.0 111.659 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . 0.538 ' HG3' HG12 ' B' ' 103' ' ' VAL . 14.7 mtm180 -76.78 -32.01 57.41 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 116.514 -0.312 . . . . 10.0 110.993 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.07 -29.68 26.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.956 0.407 . . . . 10.0 110.877 179.595 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.29 128.18 35.9 Favored Glycine 0 C--N 1.334 0.422 0 CA-C-N 115.791 -0.641 . . . . 10.0 112.858 -179.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -95.71 -29.23 14.39 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.569 -0.53 . . . . 10.0 109.569 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . 0.442 ' HA3' HD11 ' B' ' 163' ' ' ILE . . . -135.69 142.02 13.27 Favored Glycine 0 N--CA 1.448 -0.534 0 N-CA-C 110.216 -1.154 . . . . 10.0 110.216 178.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . 0.576 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 93.3 m-85 -122.54 132.15 54.18 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 117.535 0.668 . . . . 10.0 112.096 -179.161 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 19.0 tp -99.46 94.07 6.22 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.309 -0.86 . . . . 10.0 109.732 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 3.0 m -79.11 101.81 8.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.933 -0.576 . . . . 10.0 109.721 179.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 44.0 t -113.96 134.17 57.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.914 -0.585 . . . . 10.0 111.541 -179.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' PHE . . . . . 0.607 ' HE2' ' HE1' ' B' ' 141' ' ' PHE . 25.7 p90 -134.66 167.65 20.43 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 115.487 -0.778 . . . . 10.0 109.318 178.635 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.607 ' HB3' ' HB3' ' B' ' 86' ' ' ASN . . . -105.93 128.41 53.78 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.313 -0.403 . . . . 10.0 109.96 179.526 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . 0.475 ' CD1' ' HA ' ' B' ' 118' ' ' CYS . 33.8 pt -68.03 -14.08 17.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.868 -179.65 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 19.8 p-10 -101.97 3.24 38.75 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.321 179.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.607 ' HB3' ' HB3' ' B' ' 83' ' ' ALA . 27.0 t-20 -131.27 96.36 4.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.252 -0.431 . . . . 10.0 110.179 -179.731 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . 0.438 ' O ' ' HG3' ' B' ' 91' ' ' GLU . 0.2 OUTLIER -58.5 -31.59 68.01 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.852 -0.613 . . . . 10.0 112.501 -179.233 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -57.92 -48.11 80.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 10.0 111.792 -179.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . 0.441 ' O ' HG12 ' B' ' 93' ' ' ILE . 78.9 p -62.44 -33.84 75.62 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.639 0.257 . . . . 10.0 111.687 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -65.34 -39.73 92.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.152 0.501 . . . . 10.0 110.238 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.438 ' HG3' ' O ' ' B' ' 87' ' ' THR . 37.4 mt-10 -75.72 -33.4 60.3 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.431 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.45 -22.39 66.95 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.153 179.658 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 93' ' ' ILE . . . . . 0.441 HG12 ' O ' ' B' ' 89' ' ' SER . 25.4 mm -58.03 -36.28 55.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.096 -0.502 . . . . 10.0 109.721 178.446 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 28.8 t60 -64.46 -41.03 96.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.443 -0.799 . . . . 10.0 110.208 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 64.4 m-70 -66.52 -41.03 89.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.838 -179.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -66.06 -46.08 79.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.016 -0.538 . . . . 10.0 111.356 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 26.6 ttt180 -56.52 -48.11 77.93 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.012 -0.54 . . . . 10.0 111.944 -179.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -65.68 -39.18 91.04 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.195 -0.457 . . . . 10.0 111.378 -179.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 99' ' ' GLN . . . . . 0.465 ' O ' HG23 ' B' ' 103' ' ' VAL . 61.7 tt0 -65.63 -49.47 68.56 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.997 -0.281 . . . . 10.0 110.883 179.518 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 96.8 mt -54.95 -47.05 76.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-O 121.098 0.475 . . . . 10.0 111.319 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . 0.417 ' HB2' ' HE3' ' B' ' 101' ' ' LYS . 19.1 mtmt -64.51 -37.06 86.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.772 -0.649 . . . . 10.0 111.474 -179.568 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? -71.81 -39.06 70.08 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.277 -0.42 . . . . 10.0 111.061 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . 0.538 HG12 ' HG3' ' B' ' 73' ' ' ARG . 69.1 t -66.92 -47.74 81.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.999 -0.546 . . . . 10.0 111.347 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -83.17 -12.53 56.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.626 -0.261 . . . . 10.0 111.523 -179.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 25.9 t0 57.79 57.29 4.27 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.642 0.734 . . . . 10.0 110.457 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 6.1 t -156.74 179.1 9.61 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.492 -0.776 . . . . 10.0 110.123 -179.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -131.26 -34.69 1.4 Allowed 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.856 0.36 . . . . 10.0 111.156 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -85.89 57.42 4.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.247 0.546 . . . . 10.0 111.55 -179.214 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 46.7 t -94.89 119.9 65.31 Favored Pre-proline 0 C--N 1.323 -0.552 0 N-CA-C 109.583 -0.525 . . . . 10.0 109.583 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 110' ' ' PRO . . . . . 0.739 ' HB3' ' HB3' ' B' ' 162' ' ' GLU . 35.9 Cg_exo -61.95 114.93 2.51 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 123.339 2.693 . . . . 10.0 112.469 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 111' ' ' MET . . . . . 0.576 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 55.4 mtm -148.34 154.7 40.33 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.983 -0.553 . . . . 10.0 109.939 -179.314 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . 0.534 HG13 ' HG2' ' B' ' 140' ' ' PRO . 47.8 t -133.63 139.87 47.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.714 -0.476 . . . . 10.0 109.714 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . 0.411 ' O ' ' HA ' ' B' ' 141' ' ' PHE . 24.8 tp -95.83 120.82 36.77 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.252 -0.647 . . . . 10.0 109.252 179.52 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 2.3 t -124.49 138.4 54.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 120.828 0.347 . . . . 10.0 111.269 -179.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -106.96 135.78 12.96 Favored Glycine 0 N--CA 1.449 -0.442 0 N-CA-C 110.877 -0.889 . . . . 10.0 110.877 179.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -111.25 161.66 15.78 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 117.185 0.493 . . . . 10.0 110.667 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . 0.592 ' HE2' ' C8 ' ' B' ' 201' ' ' GSP . 80.5 mttt 63.13 34.85 13.29 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.033 -0.53 . . . . 10.0 111.23 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 118' ' ' CYS . . . . . 0.475 ' HA ' ' CD1' ' B' ' 84' ' ' ILE . 71.2 m -74.13 0.1 14.96 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.195 -0.457 . . . . 10.0 111.524 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -95.83 -2.47 47.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.087 179.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 21.2 mt -80.52 131.49 61.27 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 115.838 -0.619 . . . . 10.0 110.772 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -69.69 149.28 67.11 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.369 2.046 . . . . 10.0 111.47 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 2.6 m 61.41 80.81 0.21 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.234 0.54 . . . . 10.0 111.79 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 123' ' ' ARG . . . . . 0.458 ' HD3' ' O ' ' B' ' 125' ' ' VAL . 5.0 ptp180 -88.09 153.26 21.41 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.767 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 13.1 m -95.0 -39.75 10.01 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.154 -0.476 . . . . 10.0 110.42 179.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 125' ' ' VAL . . . . . 0.458 ' O ' ' HD3' ' B' ' 123' ' ' ARG . 60.8 t -98.68 120.03 47.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.384 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.03 154.72 29.24 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.057 -0.52 . . . . 10.0 110.694 179.556 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -62.24 -39.8 94.06 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.165 -0.47 . . . . 10.0 112.249 -178.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 128' ' ' LYS . . . . . 0.946 ' HB3' ' HA ' ' C' ' 47' ' ' ASP . 4.0 mptt -59.18 -56.44 22.13 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.422 -179.408 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -60.09 -37.96 81.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.662 0.268 . . . . 10.0 111.656 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.59 -44.16 74.96 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.092 0.473 . . . . 10.0 110.517 179.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . 0.415 ' HG3' ' CD2' ' B' ' 141' ' ' PHE . 57.3 mt-30 -70.98 -35.52 72.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.974 -0.557 . . . . 10.0 111.456 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -62.43 -44.56 96.12 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.328 0.585 . . . . 10.0 109.708 178.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 13.2 tp -60.11 -49.53 77.27 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.517 -0.765 . . . . 10.0 109.66 178.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.78 -39.81 95.16 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.794 179.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -38.81 90.9 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.977 -0.556 . . . . 10.0 110.881 179.795 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 15.5 m -69.67 -20.36 63.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.057 -0.52 . . . . 10.0 110.786 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 21.0 m-30 -89.73 -26.03 20.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.024 179.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 95.14 21.47 25.13 Favored Glycine 0 N--CA 1.448 -0.554 0 CA-C-N 115.534 -0.757 . . . . 10.0 111.786 -179.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 44.8 pt -120.46 153.84 56.4 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-O 120.482 0.182 . . . . 10.0 110.762 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 140' ' ' PRO . . . . . 0.534 ' HG2' HG13 ' B' ' 112' ' ' VAL . 92.0 Cg_endo -80.92 159.6 21.1 Favored 'Trans proline' 0 C--O 1.234 0.301 0 C-N-CA 122.661 2.24 . . . . 10.0 112.231 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 141' ' ' PHE . . . . . 0.607 ' HE1' ' HE2' ' B' ' 82' ' ' PHE . 89.0 t80 -128.7 130.51 47.26 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.056 -0.52 . . . . 10.0 109.831 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 24.0 mt -125.94 132.93 70.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.901 0.381 . . . . 10.0 111.308 -179.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -91.75 120.37 32.43 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.451 -0.944 . . . . 10.0 108.451 178.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 32.0 p -127.93 173.51 9.95 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.604 0.716 . . . . 10.0 112.83 -177.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 7.0 t -155.53 110.79 3.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.209 -0.905 . . . . 10.0 109.15 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 146' ' ' ALA . . . . . 0.718 ' HB2' HD23 ' B' ' 19' ' ' LEU . . . -72.43 -17.66 61.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.863 0.363 . . . . 10.0 110.453 -179.732 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 55.4 tttt -60.05 -42.28 94.12 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.476 -0.783 . . . . 10.0 111.973 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.23 22.81 6.54 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.535 0.198 . . . . 10.0 111.535 -179.455 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 53.24 50.62 17.24 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.384 0.611 . . . . 10.0 111.43 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -82.17 89.45 6.5 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.42 -0.809 . . . . 10.0 111.377 -178.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 58.97 33.73 75.41 Favored Glycine 0 C--N 1.332 0.358 0 CA-C-N 116.117 -0.492 . . . . 10.0 114.137 178.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 152' ' ' VAL . . . . . 0.515 HG12 ' CE2' ' B' ' 156' ' ' PHE . 22.8 t -67.02 -42.71 88.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.109 0.48 . . . . 10.0 110.758 -179.305 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.93 -34.39 78.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.936 -0.575 . . . . 10.0 111.679 -179.468 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -56.79 -46.35 81.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.206 -179.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.69 -40.91 96.67 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.89 -179.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 156' ' ' PHE . . . . . 0.515 ' CE2' HG12 ' B' ' 152' ' ' VAL . 23.2 m-85 -66.45 -45.62 79.17 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.599 -0.728 . . . . 10.0 111.648 -179.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 18.1 m-30 -62.39 -40.69 97.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.096 0.474 . . . . 10.0 110.319 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 158' ' ' THR . . . . . 0.409 ' HA ' ' NH1' ' B' ' 161' ' ' ARG . 93.0 m -61.73 -36.68 81.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.763 -0.653 . . . . 10.0 111.775 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 40.0 tp -65.77 -44.81 84.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.176 -0.465 . . . . 10.0 110.645 179.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 57.5 t -65.63 -40.39 87.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.193 0.52 . . . . 10.0 110.485 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 161' ' ' ARG . . . . . 0.409 ' NH1' ' HA ' ' B' ' 158' ' ' THR . 28.2 ttp-105 -61.42 -31.89 71.83 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.46 -0.791 . . . . 10.0 111.394 179.627 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 162' ' ' GLU . . . . . 0.739 ' HB3' ' HB3' ' B' ' 110' ' ' PRO . 25.2 mm-40 -66.69 -50.76 61.8 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.347 -0.388 . . . . 10.0 110.962 179.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 163' ' ' ILE . . . . . 0.442 HD11 ' HA3' ' B' ' 77' ' ' GLY . 14.9 mt -59.71 -29.54 43.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.509 -0.769 . . . . 10.0 112.194 -179.154 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 3.0 mtt85 -66.27 -17.72 64.92 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.119 0.414 . . . . 10.0 112.119 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 165' ' ' LYS . . . . . 0.606 ' HD3' ' HG2' ' C' ' 135' ' ' ARG . 55.7 mtmt -89.34 2.79 53.9 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.114 0.413 . . . . 10.0 112.114 -179.419 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 24.7 t-80 -64.53 -44.9 89.38 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.928 0.394 . . . . 10.0 110.481 179.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 41.9 pttt -88.11 28.1 1.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.839 -0.619 . . . . 10.0 111.157 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -143.49 -70.7 0.31 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.293 -0.412 . . . . 10.0 111.31 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 169' ' ' LYS . . . . . 0.543 ' HB3' ' HE2' ' B' ' 169' ' ' LYS . 28.0 mtpt -63.35 -38.0 89.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 10.0 111.8 -178.697 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 51.7 ttm -80.08 -24.46 40.6 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.035 0.445 . . . . 10.0 111.878 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 6.4 m -70.64 -34.75 72.4 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.301 -0.629 . . . . 10.0 109.301 178.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 46.8 mtpt -71.91 -48.19 47.23 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.53 -0.759 . . . . 10.0 109.093 178.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 173' ' ' ASP . . . . . . . . . . . . . 6.8 t0 69.85 -44.62 0.56 Allowed 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.294 -0.866 . . . . 10.0 112.51 179.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . 135.97 -41.42 1.43 Allowed Glycine 0 N--CA 1.449 -0.465 0 N-CA-C 109.484 -1.446 . . . . 10.0 109.484 -179.206 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 175' ' ' LYS . . . . . 0.427 ' HD2' ' O2P' ' B' ' 207' ' ' PCW . 12.6 mmmt -151.56 -161.29 1.29 Allowed 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 107.682 -1.229 . . . . 10.0 107.682 179.028 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 176' ' ' LYS . . . . . 0.451 ' HB3' ' HE2' ' B' ' 176' ' ' LYS . 24.8 ttpt 69.39 -64.46 0.34 Allowed 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 113.177 0.806 . . . . 10.0 113.177 178.439 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 177' ' ' LYS . . . . . 0.401 ' NZ ' ' O4 ' ' B' ' 209' ' ' 17F . 52.0 mmtt -114.55 -48.6 2.86 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 111.901 0.334 . . . . 10.0 111.901 -179.244 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 178' ' ' LYS . . . . . 0.526 ' HD3' ' O2P' ' B' ' 207' ' ' PCW . 6.7 mtmp? 68.45 -168.96 0.19 Allowed 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.959 -179.179 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 179' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -85.84 -55.25 4.05 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.07 0.462 . . . . 10.0 110.729 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -94.98 109.83 21.8 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.162 -0.472 . . . . 10.0 111.425 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 181' ' ' SER . . . . . 0.868 ' O ' ' H42' ' B' ' 204' ' ' PCW . 42.7 m -77.46 -45.2 26.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.072 -0.513 . . . . 10.0 109.626 178.618 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 182' ' ' LYS . . . . . 0.632 ' HA ' ' H63' ' B' ' 204' ' ' PCW . 83.7 tttt -90.82 124.02 34.82 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.98 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 14.6 t -145.3 17.88 1.54 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.195 0.522 . . . . 10.0 110.023 179.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 184' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.404 0 CA-C-N 115.811 -0.632 . . . . 10.0 110.724 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.454 -0.227 0 CA-C-O 120.884 0.373 . . . . 10.0 110.865 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 4.2 m -77.05 124.88 28.43 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.314 -0.403 . . . . 10.0 110.71 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -89.59 128.83 36.09 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.991 -0.55 . . . . 10.0 110.007 179.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -117.99 125.47 50.45 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.992 -0.373 . . . . 10.0 109.992 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 5' ' ' LYS . . . . . 0.4 ' HB2' ' HG3' ' C' ' 76' ' ' GLU . 67.2 mttm -95.1 111.66 23.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.388 -0.369 . . . . 10.0 110.569 -179.72 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . 0.496 HD11 HG12 ' C' ' 55' ' ' ILE . 0.7 OUTLIER -123.61 131.28 53.58 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.143 -0.48 . . . . 10.0 111.938 -179.396 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 20.4 t -114.36 132.37 63.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.354 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 10.1 t -96.55 122.22 47.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.552 -0.536 . . . . 10.0 109.552 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 11.5 m -123.04 157.38 28.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.41 -179.369 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 152.14 176.31 24.68 Favored Glycine 0 N--CA 1.451 -0.33 0 N-CA-C 111.289 -0.724 . . . . 10.0 111.289 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.74 174.91 4.63 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.946 0.373 . . . . 10.0 111.344 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.65 145.53 27.94 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.983 0.42 . . . . 10.0 111.337 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 13' ' ' GLY . . . . . 0.735 ' HA2' H5'1 ' C' ' 201' ' ' GSP . . . 74.62 18.35 80.0 Favored Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 115.439 -0.801 . . . . 10.0 113.944 179.093 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 14' ' ' VAL . . . . . 0.471 ' CG2' ' HG3' ' C' ' 16' ' ' LYS . 30.5 m -87.36 -29.73 5.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 117.456 0.628 . . . . 10.0 112.299 -179.65 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . 0.529 ' HA3' ' ND2' ' C' ' 116' ' ' ASN . . . 116.09 18.11 6.04 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.684 -0.77 . . . . 10.0 113.195 179.635 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . 0.613 ' HG2' ' HB ' ' C' ' 81' ' ' VAL . 54.3 mtmt -57.94 -46.41 85.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.14 0.495 . . . . 10.0 111.33 -179.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 17' ' ' SER . . . . . 0.418 ' OG ' ' O3G' ' C' ' 201' ' ' GSP . 14.9 m -76.56 -35.12 58.4 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.998 -178.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.19 -47.33 86.42 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.931 0.396 . . . . 10.0 110.72 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 71.3 mt -61.57 -45.72 92.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.923 -0.58 . . . . 10.0 111.141 179.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 8.1 m -63.26 -40.56 97.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.085 0.469 . . . . 10.0 111.639 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 71.3 mt -65.81 -29.95 48.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.508 179.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 22' ' ' GLN . . . . . 0.543 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 8.8 mm-40 -69.36 -17.2 63.67 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.338 -0.392 . . . . 10.0 111.39 179.14 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 20.7 tp -94.68 -37.05 11.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.96 0.409 . . . . 10.0 110.708 179.094 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 36.6 mm -83.91 -72.31 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.472 -0.331 . . . . 10.0 111.217 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 25' ' ' GLN . . . . . 0.564 ' HB3' ' HD2' ' C' ' 27' ' ' HIS . 79.2 mt-30 -76.11 -21.49 56.6 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.117 -0.492 . . . . 10.0 111.385 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 26' ' ' ASN . . . . . 0.543 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 32.7 m-80 68.67 34.68 3.37 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 113.403 0.89 . . . . 10.0 113.403 178.267 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 27' ' ' HIS . . . . . 0.564 ' HD2' ' HB3' ' C' ' 25' ' ' GLN . 3.8 p80 -140.11 156.49 46.54 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.468 -0.333 . . . . 10.0 110.117 178.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -97.31 118.13 33.09 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.028 0.442 . . . . 10.0 111.413 -179.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -78.84 103.82 6.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 109.359 -0.608 . . . . 10.0 109.359 178.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -74.27 -16.53 60.94 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.208 0.528 . . . . 10.0 110.966 -179.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.89 142.76 27.1 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.386 -0.825 . . . . 10.0 109.08 178.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 32' ' ' TYR . . . . . 0.603 ' CD1' H5'2 ' C' ' 201' ' ' GSP . 14.1 t80 -93.96 112.01 23.79 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 112.285 0.476 . . . . 10.0 112.285 -179.485 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -114.58 108.97 48.64 Favored Pre-proline 0 C--N 1.326 -0.423 0 N-CA-C 109.011 -0.737 . . . . 10.0 109.011 178.033 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -62.74 85.02 0.11 Allowed 'Trans proline' 0 CA--C 1.528 0.213 0 C-N-CA 123.137 2.558 . . . . 10.0 113.147 -179.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.75 106.97 6.55 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.509 -0.552 . . . . 10.0 109.509 178.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . 0.804 ' HA ' ' HB2' ' C' ' 59' ' ' ALA . 49.0 mm -64.5 -52.11 59.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 CA-C-N 116.029 -0.532 . . . . 10.0 111.319 -179.127 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -155.56 98.16 1.93 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.882 -0.599 . . . . 10.0 109.387 -179.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -123.05 139.56 53.94 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.283 -0.417 . . . . 10.0 111.032 -179.072 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.53 140.78 48.85 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.911 0.386 . . . . 10.0 111.623 -179.259 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -127.18 141.86 51.64 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.953 -0.567 . . . . 10.0 109.584 -179.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . 0.427 ' HA ' ' O ' ' C' ' 53' ' ' LEU . 1.0 OUTLIER -118.87 122.74 43.02 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.909 -0.404 . . . . 10.0 109.909 179.493 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 47.1 tptt -132.4 123.22 26.31 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 121.18 -0.208 . . . . 10.0 111.122 -179.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -102.22 104.98 15.58 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.673 -0.491 . . . . 10.0 109.673 179.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 3.1 m -132.95 164.0 36.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.879 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 23.7 t -96.7 111.68 27.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.035 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 75.6 mt -113.58 119.1 60.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.934 -179.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 47' ' ' ASP . . . . . 0.946 ' HA ' ' HB3' ' B' ' 128' ' ' LYS . 55.9 m-20 60.05 28.79 18.37 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.719 -0.673 . . . . 10.0 112.485 179.698 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.88 -14.93 63.98 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.753 -0.737 . . . . 10.0 113.652 179.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -104.51 137.65 42.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 122.438 -0.449 . . . . 10.0 111.324 -179.405 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 1.1 m -78.54 122.21 25.59 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.691 -0.855 . . . . 10.0 108.691 178.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 3.8 m -119.01 143.73 46.91 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 113.111 0.782 . . . . 10.0 113.111 -177.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 59.5 tp -105.84 99.49 9.09 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 107.199 -1.408 . . . . 10.0 107.199 177.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . 0.427 ' O ' ' HA ' ' C' ' 41' ' ' ARG . 22.5 mt -80.09 119.39 22.82 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 113.071 0.767 . . . . 10.0 113.071 -177.55 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -103.18 86.09 2.62 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.319 -1.363 . . . . 10.0 107.319 177.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 55' ' ' ILE . . . . . 0.496 HG12 HD11 ' C' ' 6' ' ' LEU . 5.6 mt -85.88 135.43 25.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.4 -0.818 . . . . 10.0 111.449 -177.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 43.5 tp -125.86 111.76 15.2 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.669 179.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -94.8 118.08 31.18 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.455 -0.793 . . . . 10.0 109.462 179.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 58' ' ' THR . . . . . 0.418 HG21 ' CE2' ' C' ' 71' ' ' TYR . 69.8 p -108.11 147.29 31.44 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.478 -179.19 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 59' ' ' ALA . . . . . 0.804 ' HB2' ' HA ' ' C' ' 36' ' ' ILE . . . -67.12 139.15 57.5 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.839 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -98.53 29.49 11.41 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.802 -0.713 . . . . 10.0 112.022 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 61' ' ' GLN . . . . . 0.439 HE21 ' HB3' ' C' ' 61' ' ' GLN . 11.2 mt-30 -82.74 0.09 45.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.463 0.173 . . . . 10.0 111.073 -179.538 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 62' ' ' GLU . . . . . 0.485 ' O ' ' HB3' ' C' ' 63' ' ' GLU . 31.9 mm-40 65.29 -162.65 0.26 Allowed 'General case' 0 C--O 1.235 0.32 0 N-CA-C 112.538 0.569 . . . . 10.0 112.538 -179.433 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 63' ' ' GLU . . . . . 0.485 ' HB3' ' O ' ' C' ' 62' ' ' GLU . 24.5 tt0 77.89 -28.71 0.16 Allowed 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.345 0.658 . . . . 10.0 111.579 -178.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 64' ' ' TYR . . . . . 0.58 ' HB3' ' HB3' ' C' ' 67' ' ' MET . 11.2 m-85 -76.06 79.18 2.9 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.936 -179.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.45 -74.36 0.26 Allowed 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.214 0.53 . . . . 10.0 110.55 179.686 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -72.64 -25.84 61.43 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.227 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 67' ' ' MET . . . . . 0.58 ' HB3' ' HB3' ' C' ' 64' ' ' TYR . 24.6 ttt -64.14 -25.32 68.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.758 -0.655 . . . . 10.0 110.501 179.423 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 68' ' ' ARG . . . . . 0.544 ' HG2' ' HE3' ' C' ' 72' ' ' MET . 1.4 tpp180 -73.41 -38.55 65.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.608 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 69' ' ' ASP . . . . . 0.408 ' HA ' ' HB2' ' C' ' 72' ' ' MET . 0.3 OUTLIER -57.07 -35.89 69.9 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.233 -0.439 . . . . 10.0 111.89 179.9 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -50.49 -48.93 56.63 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.828 -0.624 . . . . 10.0 112.399 -179.293 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 71' ' ' TYR . . . . . 0.51 ' CZ ' ' HA ' ' C' ' 68' ' ' ARG . 4.3 p90 -95.58 -10.64 29.01 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.41 0.522 . . . . 10.0 112.41 -179.226 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 72' ' ' MET . . . . . 0.544 ' HE3' ' HG2' ' C' ' 68' ' ' ARG . 22.2 mtt -76.03 -33.82 59.66 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.804 0.335 . . . . 10.0 111.17 179.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 25.8 mtm180 -73.88 -35.45 64.72 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.891 0.377 . . . . 10.0 111.226 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -75.0 -45.32 42.76 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.913 -0.585 . . . . 10.0 112.54 -179.126 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -63.42 146.0 50.19 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.773 -0.727 . . . . 10.0 113.141 -179.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . 0.4 ' HG3' ' HB2' ' C' ' 5' ' ' LYS . 31.5 mt-10 -100.22 -51.49 3.64 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.109 0.481 . . . . 10.0 110.003 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -105.92 137.81 13.99 Favored Glycine 0 N--CA 1.448 -0.544 0 CA-C-N 115.593 -0.73 . . . . 10.0 111.353 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 78' ' ' PHE . . . . . 0.668 ' HB2' ' HG2' ' C' ' 111' ' ' MET . 84.5 m-85 -114.37 125.26 53.66 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.341 0.591 . . . . 10.0 112.145 -179.343 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . 0.676 HD13 HD22 ' C' ' 159' ' ' LEU . 12.4 tp -102.38 104.56 15.05 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.369 -0.832 . . . . 10.0 109.853 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 80' ' ' CYS . . . . . 0.766 ' HB3' HD12 ' C' ' 93' ' ' ILE . 72.6 m -90.54 104.89 17.42 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.378 -0.374 . . . . 10.0 110.087 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 81' ' ' VAL . . . . . 0.613 ' HB ' ' HG2' ' C' ' 16' ' ' LYS . 94.8 t -104.89 119.84 54.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.813 -0.63 . . . . 10.0 110.721 -179.474 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 82' ' ' PHE . . . . . 0.57 ' HE2' ' HG ' ' C' ' 113' ' ' LEU . 36.5 p90 -123.48 163.75 20.28 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.476 -0.784 . . . . 10.0 109.459 178.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 83' ' ' ALA . . . . . 0.493 ' HB3' ' HB3' ' C' ' 86' ' ' ASN . . . -100.85 131.74 46.59 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 120.807 0.337 . . . . 10.0 110.306 179.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 84' ' ' ILE . . . . . 0.607 HD12 ' HB3' ' C' ' 123' ' ' ARG . 14.7 pt -67.1 -14.7 18.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.321 -0.4 . . . . 10.0 112.047 -179.367 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 85' ' ' ASN . . . . . 0.401 ' OD1' ' HB1' ' C' ' 83' ' ' ALA . 28.8 p-10 -102.68 0.65 33.43 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.96 0.41 . . . . 10.0 110.429 179.41 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 86' ' ' ASN . . . . . 0.493 ' HB3' ' HB3' ' C' ' 83' ' ' ALA . 44.3 t-20 -122.33 94.83 4.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.359 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -62.07 -32.57 73.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.859 -0.61 . . . . 10.0 111.799 -179.422 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -60.96 -42.77 98.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.86 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 98.4 p -69.0 -30.09 68.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.431 -0.35 . . . . 10.0 111.031 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 90' ' ' PHE . . . . . 0.404 ' HB2' HG21 ' C' ' 125' ' ' VAL . 73.0 t80 -66.15 -48.59 70.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.548 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -72.6 -19.4 61.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.937 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.67 -22.56 60.9 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.362 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 93' ' ' ILE . . . . . 0.766 HD12 ' HB3' ' C' ' 80' ' ' CYS . 47.6 mm -60.26 -32.52 50.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.222 -0.445 . . . . 10.0 109.817 179.212 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 64.1 t60 -61.38 -47.3 86.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.907 -0.588 . . . . 10.0 109.874 179.15 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 81.6 m-70 -64.3 -32.4 73.98 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.824 -0.625 . . . . 10.0 110.631 -179.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -71.08 -49.63 42.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.239 179.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -58.46 -43.05 88.7 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.642 179.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -66.02 -35.95 81.95 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.998 -0.546 . . . . 10.0 111.551 179.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -67.74 -45.05 76.08 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.814 0.34 . . . . 10.0 110.203 179.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 100' ' ' ILE . . . . . 0.425 HG21 HG11 ' C' ' 109' ' ' VAL . 80.5 mt -56.26 -49.94 73.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 115.672 -0.694 . . . . 10.0 111.193 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 36.5 mtmt -59.5 -35.54 74.35 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.297 0.48 . . . . 10.0 112.297 -179.293 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 9.0 tmm_? -76.42 -41.69 46.81 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.067 0.46 . . . . 10.0 110.793 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 44.5 t -68.45 -42.75 84.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 112.801 0.667 . . . . 10.0 112.801 -178.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -93.95 -15.62 24.74 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.984 0.735 . . . . 10.0 112.984 -178.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 26.3 t70 61.58 58.62 2.01 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.412 0.625 . . . . 10.0 111.794 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 69.3 m -159.54 140.76 12.75 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.337 -0.392 . . . . 10.0 111.462 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -84.48 -39.22 19.16 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.295 -0.632 . . . . 10.0 109.295 178.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.86 96.42 9.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.517 -0.765 . . . . 10.0 110.181 179.551 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 109' ' ' VAL . . . . . 0.425 HG11 HG21 ' C' ' 100' ' ' ILE . 14.5 t -124.56 129.2 24.73 Favored Pre-proline 0 C--N 1.323 -0.553 0 N-CA-C 109.606 -0.516 . . . . 10.0 109.606 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 110' ' ' PRO . . . . . 0.416 ' HG3' ' CB ' ' C' ' 166' ' ' HIS . 20.0 Cg_exo -67.11 97.67 0.42 Allowed 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 122.664 2.242 . . . . 10.0 111.126 179.155 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 111' ' ' MET . . . . . 0.668 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 53.1 mtm -130.02 152.66 49.23 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.344 -0.389 . . . . 10.0 110.388 -179.629 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 91.3 t -135.95 134.54 50.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.971 -0.559 . . . . 10.0 109.774 179.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 113' ' ' LEU . . . . . 0.57 ' HG ' ' HE2' ' C' ' 82' ' ' PHE . 14.7 tp -92.21 114.25 26.74 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.378 -0.601 . . . . 10.0 109.378 179.636 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 40.6 t -117.71 121.46 67.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.261 -0.427 . . . . 10.0 111.791 -179.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -100.07 115.61 5.35 Favored Glycine 0 N--CA 1.45 -0.375 0 N-CA-C 110.794 -0.922 . . . . 10.0 110.794 178.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 116' ' ' ASN . . . . . 0.529 ' ND2' ' HA3' ' C' ' 15' ' ' GLY . 65.0 t30 -94.02 166.6 12.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 117.204 0.502 . . . . 10.0 111.801 -178.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 117' ' ' LYS . . . . . 0.535 ' HE2' ' C4 ' ' C' ' 201' ' ' GSP . 93.4 mttt 64.96 31.65 11.16 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.526 -0.761 . . . . 10.0 111.59 179.413 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 118' ' ' CYS . . . . . 0.536 ' HA ' ' CD1' ' C' ' 84' ' ' ILE . 90.7 m -73.02 -1.9 19.03 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.578 0.585 . . . . 10.0 112.578 -179.511 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -92.45 -7.78 46.54 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.974 0.416 . . . . 10.0 110.299 179.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 120' ' ' LEU . . . . . 0.543 HD11 ' N2 ' ' C' ' 201' ' ' GSP . 71.0 mt -89.98 135.46 30.18 Favored Pre-proline 0 C--O 1.235 0.319 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.576 179.6 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -76.46 168.46 23.74 Favored 'Trans proline' 0 C--O 1.238 0.518 0 C-N-CA 122.877 2.385 . . . . 10.0 112.635 -179.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 12.9 m 58.18 64.66 1.45 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.585 -0.734 . . . . 10.0 111.337 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 123' ' ' ARG . . . . . 0.607 ' HB3' HD12 ' C' ' 84' ' ' ILE . 6.4 ptp180 -84.84 152.43 23.61 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.42 -179.562 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 3.3 p -94.09 -39.34 10.65 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.855 0.36 . . . . 10.0 110.789 179.401 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 125' ' ' VAL . . . . . 0.43 ' HA ' ' OE1' ' C' ' 129' ' ' GLN . 91.8 t -93.06 109.95 22.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-O 120.988 0.423 . . . . 10.0 110.531 179.312 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -69.43 146.64 51.85 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.11 -0.7 . . . . 10.0 109.11 178.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 11.1 m -55.28 -35.48 65.09 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.811 0.338 . . . . 10.0 110.401 179.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 128' ' ' LYS . . . . . 0.546 ' HB3' ' HA ' ' B' ' 47' ' ' ASP . 24.7 mttp -63.57 -49.31 73.89 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 112.999 0.741 . . . . 10.0 112.999 -178.499 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 129' ' ' GLN . . . . . 0.43 ' OE1' ' HA ' ' C' ' 125' ' ' VAL . 5.0 pt20 -63.5 -35.38 80.26 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.693 -0.403 . . . . 10.0 111.217 -179.655 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -69.11 -38.05 78.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.048 0.452 . . . . 10.0 109.784 178.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -67.35 -42.09 84.09 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.745 -0.661 . . . . 10.0 110.099 179.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -62.96 -44.4 96.14 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 116.115 -0.493 . . . . 10.0 111.077 179.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 37.8 tp -61.75 -41.27 97.46 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 116.544 -0.298 . . . . 10.0 110.305 179.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.2 -30.8 71.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.481 179.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 135' ' ' ARG . . . . . 0.606 ' HG2' ' HD3' ' B' ' 165' ' ' LYS . 1.6 tmm_? -64.14 -36.33 83.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.595 179.521 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 14.7 m -80.46 -10.59 59.74 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.027 -0.533 . . . . 10.0 111.22 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 10.2 m-30 -99.88 -31.94 11.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.111 179.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 90.06 13.42 60.56 Favored Glycine 0 C--N 1.332 0.313 0 N-CA-C 111.351 -0.7 . . . . 10.0 111.351 -179.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 43.3 pt -108.52 165.62 12.35 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.554 -0.323 . . . . 10.0 110.481 -179.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -91.67 154.65 3.49 Favored 'Trans proline' 0 CA--C 1.536 0.619 0 C-N-CA 123.051 2.501 . . . . 10.0 112.339 178.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -127.59 131.37 49.96 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.171 -0.468 . . . . 10.0 110.486 -179.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 34.3 mt -131.1 139.63 50.55 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.106 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 143' ' ' GLU . . . . . 0.458 ' HB3' ' SG ' ' C' ' 118' ' ' CYS . 42.4 mt-10 -94.88 116.84 29.22 Favored 'General case' 0 C--O 1.233 0.204 0 N-CA-C 108.984 -0.747 . . . . 10.0 108.984 178.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 144' ' ' THR . . . . . 0.486 HG22 ' HA3' ' C' ' 151' ' ' GLY . 72.6 p -124.42 176.46 6.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.881 0.848 . . . . 10.0 112.92 -178.453 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 12.0 t -157.2 129.15 7.16 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.792 -1.095 . . . . 10.0 108.371 178.206 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 146' ' ' ALA . . . . . 0.431 ' N ' ' O6 ' ' C' ' 201' ' ' GSP . . . -78.19 -25.3 47.07 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.006 0.431 . . . . 10.0 110.076 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 39.6 mtpt -67.95 -52.13 39.62 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.72 -0.673 . . . . 10.0 110.998 179.278 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -85.62 -11.35 54.13 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.453 -0.34 . . . . 10.0 111.067 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 27.9 ttt-85 60.51 34.3 20.41 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.549 0.69 . . . . 10.0 110.599 -179.21 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -97.54 126.73 43.0 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.164 -0.926 . . . . 10.0 111.094 -179.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 151' ' ' GLY . . . . . 0.486 ' HA3' HG22 ' C' ' 144' ' ' THR . . . 83.47 -4.03 83.0 Favored Glycine 0 CA--C 1.52 0.351 0 CA-C-N 115.897 -0.592 . . . . 10.0 113.572 179.098 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 152' ' ' VAL . . . . . 0.421 ' O ' ' HD2' ' C' ' 156' ' ' PHE . 98.8 t -57.78 -52.25 60.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.772 0.32 . . . . 10.0 111.719 -179.15 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -62.53 -50.51 71.07 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.187 -0.46 . . . . 10.0 111.938 -178.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -59.09 -38.97 80.78 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.571 0.582 . . . . 10.0 112.571 -178.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -57.24 -43.94 83.38 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.904 0.383 . . . . 10.0 110.899 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 156' ' ' PHE . . . . . 0.457 ' O ' HG23 ' C' ' 160' ' ' VAL . 61.4 m-85 -73.92 -46.48 44.03 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.778 179.477 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -57.8 -47.79 81.57 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.771 -0.65 . . . . 10.0 111.724 -179.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 158' ' ' THR . . . . . 0.464 ' O ' ' HG2' ' C' ' 162' ' ' GLU . 43.7 m -62.2 -37.95 87.27 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.317 -0.401 . . . . 10.0 111.217 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 159' ' ' LEU . . . . . 0.676 HD22 HD13 ' C' ' 79' ' ' LEU . 54.3 tp -62.17 -43.17 99.43 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 120.996 0.427 . . . . 10.0 109.953 178.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 160' ' ' VAL . . . . . 0.457 HG23 ' O ' ' C' ' 156' ' ' PHE . 84.4 t -63.88 -42.27 95.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.554 0.692 . . . . 10.0 109.376 178.598 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 161' ' ' ARG . . . . . 0.432 ' HD3' ' OD2' ' C' ' 47' ' ' ASP . 6.7 ttp180 -61.5 -37.07 82.34 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.857 -1.065 . . . . 10.0 110.607 179.679 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 162' ' ' GLU . . . . . 0.464 ' HG2' ' O ' ' C' ' 158' ' ' THR . 18.1 mm-40 -69.07 -34.23 74.81 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.743 179.376 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 163' ' ' ILE . . . . . 0.424 HG13 ' O ' ' C' ' 159' ' ' LEU . 71.4 mt -62.37 -45.48 98.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 109.679 -0.489 . . . . 10.0 109.679 178.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 164' ' ' ARG . . . . . 0.555 HH12 ' HB2' ' C' ' 47' ' ' ASP . 94.3 mtt180 -60.97 -45.48 94.59 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.127 -0.694 . . . . 10.0 109.127 178.484 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 29.1 ttmt -53.9 -49.74 67.92 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.083 -0.962 . . . . 10.0 109.989 179.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 166' ' ' HIS . . . . . 0.416 ' CB ' ' HG3' ' C' ' 110' ' ' PRO . 14.8 t-80 -55.37 -47.49 75.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.438 . . . . 10.0 111.298 179.42 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 167' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' C' ' 163' ' ' ILE . 71.8 mttt -62.32 -41.17 98.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.273 -0.422 . . . . 10.0 111.861 -179.296 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -73.16 -46.56 50.09 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.82 0.343 . . . . 10.0 110.538 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 169' ' ' LYS . . . . . 0.5 ' HB3' ' HE2' ' C' ' 169' ' ' LYS . 17.8 mtpt -59.79 -39.19 84.11 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.352 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 74.8 mmm -71.08 -15.79 62.55 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.257 -0.429 . . . . 10.0 112.128 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 51.0 m -78.28 -18.28 55.49 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-O 121.317 0.579 . . . . 10.0 109.478 178.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 30.5 mtpt -102.88 -41.95 5.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.387 -0.824 . . . . 10.0 109.342 179.117 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 173' ' ' ASP . . . . . 0.569 ' OD1' ' HG2' ' C' ' 175' ' ' LYS . 4.6 t70 73.6 168.88 0.31 Allowed 'General case' 0 C--O 1.238 0.45 0 O-C-N 123.835 0.709 . . . . 10.0 111.488 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . -90.71 -4.66 69.7 Favored Glycine 0 N--CA 1.447 -0.582 0 N-CA-C 111.115 -0.794 . . . . 10.0 111.115 179.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 175' ' ' LYS . . . . . 0.596 ' HG3' ' HG3' ' C' ' 176' ' ' LYS . 14.2 pttm -147.21 -173.59 4.29 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.992 -0.373 . . . . 10.0 109.992 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 176' ' ' LYS . . . . . 0.596 ' HG3' ' HG3' ' C' ' 175' ' ' LYS . 52.3 mtmt 68.94 -80.04 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 112.757 0.651 . . . . 10.0 112.757 179.567 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 177' ' ' LYS . . . . . 0.408 ' H ' ' HG2' ' C' ' 177' ' ' LYS . 2.6 ptmt -109.78 85.15 2.05 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.725 0.774 . . . . 10.0 111.863 -179.177 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 178' ' ' LYS . . . . . . . . . . . . . 41.6 mttt -80.29 103.17 9.98 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.459 -0.791 . . . . 10.0 110.358 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 179' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -91.31 40.02 1.02 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.258 0.551 . . . . 10.0 111.503 -179.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 180' ' ' LYS . . . . . 0.596 ' HG2' ' H ' ' C' ' 181' ' ' SER . 32.4 tttp -165.01 -169.95 1.81 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.665 -0.698 . . . . 10.0 109.616 179.635 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 181' ' ' SER . . . . . 0.596 ' H ' ' HG2' ' C' ' 180' ' ' LYS . 0.7 OUTLIER -68.18 178.77 1.76 Allowed 'General case' 0 C--O 1.237 0.433 0 N-CA-C 110.22 -0.289 . . . . 10.0 110.22 179.308 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 182' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 68.65 84.47 0.15 Allowed 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.224 0.535 . . . . 10.0 110.501 179.652 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 183' ' ' THR . . . . . 0.623 ' CG2' ' H1 ' ' C' ' 215' ' ' 17F . 4.3 p -96.48 -73.53 0.59 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.748 -0.66 . . . . 10.0 111.477 -179.137 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 184' ' ' LYS . . . . . 0.505 ' HZ2' H352 ' C' ' 211' ' ' PCW . 30.6 mttt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.912 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 401' ' ' PCW . . . . . 0.998 ' H62' ' H2 ' ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 402' ' ' PCW . . . . . 1.064 H411 H361 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 403' ' ' PCW . . . . . 1.199 H282 ' C23' ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 404' ' ' PCW . . . . . 1.104 ' C16' H421 ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 405' ' ' PCW . . . . . 1.07 H361 H441 ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 406' ' ' PCW . . . . . 1.101 H351 ' H9 ' ' B' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 407' ' ' PCW . . . . . 1.078 H321 H372 ' A' ' 410' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 408' ' ' PCW . . . . . 1.053 H152 H211 ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 409' ' ' PCW . . . . . 1.235 ' C19' H142 ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 410' ' ' PCW . . . . . 1.078 H372 H321 ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 411' ' ' PCW . . . . . 1.07 H441 H361 ' A' ' 405' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 412' ' ' PCW . . . . . 1.056 H451 H182 ' C' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 413' ' ' PCW . . . . . 1.032 H162 ' C35' ' A' ' 408' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 414' ' ' PCW . . . . . 1.014 H181 H221 ' A' ' 414' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 415' ' ' 17F . . . . . 1.033 ' H49' ' C23' ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 416' ' ' 17F . . . . . 0.777 ' H77' ' H78' ' B' ' 209' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 417' ' ' PCW . . . . . 1.03 H141 H341 ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 418' ' ' PCW . . . . . 1.15 H341 ' C13' ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 419' ' ' PCW . . . . . 1.063 H462 H283 ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 420' ' ' PCW . . . . . 1.03 H341 H141 ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 421' ' ' PCW . . . . . 1.02 H162 ' H57' ' D' ' 630' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 422' ' ' 17F . . . . . 1.091 ' H62' H421 ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 601' ' ' PCW . . . . . 0.971 H421 H461 ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 602' ' ' PCW . . . . . 0.957 H172 H212 ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 603' ' ' PCW . . . . . 1.16 ' O11' ' H61' ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 604' ' ' PCW . . . . . 1.16 ' H61' ' O11' ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 605' ' ' PCW . . . . . 1.12 ' O1P' ' H52' ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 606' ' ' PCW . . . . . 1.083 ' H73' ' H19' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 607' ' ' PCW . . . . . 0.93 ' H31' H372 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 608' ' ' PCW . . . . . 0.96 ' H63' H242 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 609' ' ' PCW . . . . . 1.032 H271 ' H73' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 610' ' ' PCW . . . . . 1.015 ' H63' ' H6A' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 611' ' ' PCW . . . . . 0.921 ' C14' H261 ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 612' ' ' PCW . . . . . 1.036 ' H51' H342 ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 613' ' ' PCW . . . . . 1.15 ' C13' H341 ' A' ' 418' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 614' ' ' PCW . . . . . 1.12 ' H52' ' O1P' ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 615' ' ' PCW . . . . . 1.07 ' C44' ' H20' ' D' ' 620' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 616' ' ' PCW . . . . . 1.066 H211 ' H41' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 617' ' ' PCW . . . . . 0.961 ' H39' H142 ' D' ' 619' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 618' ' ' PCW . . . . . 1.022 H411 ' H11' ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 619' ' ' PCW . . . . . 1.008 H132 H321 ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 620' ' ' PCW . . . . . 1.07 ' H20' ' C44' ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 621' ' ' PCW . . . . . 0.847 H152 ' H18' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 622' ' ' PCW . . . . . 1.091 H421 ' H62' ' A' ' 422' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 623' ' ' PCW . . . . . 1.036 H342 ' H51' ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 624' ' ' PCW . . . . . 1.048 ' H73' H321 ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 625' ' ' PCW . . . . . 1.038 ' H19' H151 ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 626' ' ' PCW . . . . . 1.083 ' H19' ' H73' ' D' ' 606' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 627' ' ' PCW . . . . . 0.963 H172 H361 ' D' ' 619' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 628' ' ' 17F . . . . . 1.032 ' H73' H271 ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 629' ' ' 17F . . . . . 0.966 ' H51' ' H57' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 630' ' ' 17F . . . . . 1.02 ' H57' H162 ' A' ' 421' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 631' ' ' 17F . . . . . 1.031 ' H8 ' ' C7 ' ' C' ' 217' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 632' ' ' 17F . . . . . 1.066 ' H41' H211 ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 201' ' ' GSP . . . . . 1.053 ' O2A' " H3'" ' B' ' 201' ' ' GSP . . . . . . . . 0 O4'--C1' 1.436 1.796 2 C1'-O4'-C4' 101.397 -9.114 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 202' ' ' ' MG' . . . . . 0.601 'MG ' ' O2B' ' B' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 203' ' ' PCW . . . . . 0.889 H381 H421 ' C' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 204' ' ' PCW . . . . . 0.996 H231 H272 ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 205' ' ' PCW . . . . . 1.015 H262 H472 ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 206' ' ' PCW . . . . . 1.079 ' C23' H151 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 207' ' ' PCW . . . . . 1.025 ' H41' ' H31' ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 208' ' ' PCW . . . . . 1.033 ' C23' ' H49' ' A' ' 415' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 209' ' ' 17F . . . . . 1.017 ' H57' H19A ' B' ' 209' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 210' ' ' 17F . . . . . 0.942 ' H65' ' H39' ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 211' ' ' 17F . . . . . 1.101 ' H9 ' H351 ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 201' ' ' GSP . . . . . 0.735 H5'1 ' HA2' ' C' ' 13' ' ' GLY . . . . . . . . 0 O4'--C1' 1.437 1.95 2 O4'-C1'-N19 112.813 4.613 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 202' ' ' ' MG' . . . . . 0.655 'MG ' ' O3G' ' C' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 203' ' ' PCW . . . . . 1.069 H282 H451 ' C' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 204' ' ' PCW . . . . . 1.044 ' H40' H251 ' C' ' 216' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 205' ' ' PCW . . . . . 1.096 H411 ' H8 ' ' C' ' 215' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 206' ' ' PCW . . . . . 1.083 H151 H151 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 207' ' ' PCW . . . . . 1.042 H322 ' H63' ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 208' ' ' PCW . . . . . 1.083 H151 H151 ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 209' ' ' PCW . . . . . 1.128 ' O4P' ' H32' ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 210' ' ' PCW . . . . . 1.103 ' O31' H352 ' C' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 211' ' ' PCW . . . . . 1.069 H451 H282 ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 212' ' ' PCW . . . . . 1.063 H283 H462 ' A' ' 419' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 213' ' ' 17F . . . . . 0.933 ' H50' ' H39' ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 214' ' ' 17F . . . . . 1.018 ' H55' H451 ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 215' ' ' 17F . . . . . 1.096 ' H8 ' H411 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 216' ' ' PCW . . . . . 1.044 H251 ' H40' ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 217' ' ' PCW . . . . . 1.142 H141 ' H33' ' C' ' 219' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 218' ' ' 17F . . . . . 1.163 H18A ' O7 ' ' C' ' 218' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 219' ' ' 17F . . . . . 1.142 ' H33' H141 ' C' ' 217' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' LEU . . . . . 0.592 ' HA ' HD12 ' A' ' 204' ' ' LEU . 76.5 mt . . . . . 0 C--O 1.234 0.266 0 CA-C-O 120.836 0.351 . . . . 10.0 110.865 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 7.1 tmtm? -63.61 -58.78 5.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.791 -0.64 . . . . 10.0 110.965 -179.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 82.1 mt -64.84 -33.73 76.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.812 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 204' ' ' LEU . . . . . 0.592 HD12 ' HA ' ' A' ' 201' ' ' LEU . 61.7 mt -58.45 -46.14 87.14 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.805 -0.634 . . . . 10.0 111.646 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -80.09 -34.43 37.98 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.566 -0.453 . . . . 10.0 111.454 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 206' ' ' ASN . . . . . 0.442 HD22 ' HA ' ' A' ' 206' ' ' ASN . 6.4 m120 -64.45 -35.26 80.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.023 0.439 . . . . 10.0 110.282 178.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 42.3 t90 -70.2 -27.83 64.81 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.431 -0.581 . . . . 10.0 109.431 178.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -64.08 -38.84 92.54 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.793 -0.639 . . . . 10.0 109.868 179.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.16 -34.96 78.68 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.168 179.132 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 46.4 t -68.89 -40.61 81.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 109.068 -0.716 . . . . 10.0 109.068 178.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 90.3 m -60.64 -44.04 96.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.366 -0.834 . . . . 10.0 110.337 179.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.75 -35.59 81.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.993 0.425 . . . . 10.0 109.914 179.321 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 213' ' ' THR . . . . . 0.445 ' O ' ' HG ' ' A' ' 217' ' ' LEU . 34.9 m -64.81 -44.63 89.27 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.096 -0.705 . . . . 10.0 109.096 178.698 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -59.48 -42.67 92.61 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.178 179.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 19.4 m -60.55 -50.55 73.11 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.824 -0.626 . . . . 10.0 110.293 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 36.3 mmtt -62.41 -33.75 75.4 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.163 -0.472 . . . . 10.0 110.451 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 217' ' ' LEU . . . . . 0.717 HD21 H252 ' A' ' 405' ' ' PCW . 71.4 mt -65.47 -47.35 76.36 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.099 178.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 58.8 mtt85 -64.88 -38.75 92.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.33 -0.396 . . . . 10.0 110.774 179.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -63.54 -24.48 67.83 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.681 179.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -96.95 -33.55 11.55 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.812 -0.631 . . . . 10.0 110.675 179.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 17.6 mt -53.15 -42.6 66.28 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 116.357 -0.383 . . . . 10.0 111.488 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -54.79 -67.32 2.26 Favored Glycine 0 N--CA 1.45 -0.403 0 N-CA-C 111.368 -0.693 . . . . 10.0 111.368 178.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -53.24 -42.93 61.41 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.516 2.144 . . . . 10.0 111.233 178.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 5.7 t -55.57 -52.04 51.59 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 CA-C-N 116.387 -0.369 . . . . 10.0 111.542 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . 0.543 ' O ' ' HB2' ' A' ' 229' ' ' TRP . 6.6 p -67.03 -37.39 84.03 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.866 -0.334 . . . . 10.0 110.856 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -62.71 -50.36 71.42 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.028 0.442 . . . . 10.0 110.838 179.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -66.8 -41.93 86.76 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.925 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -66.3 -43.72 85.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.425 -0.352 . . . . 10.0 111.339 179.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 229' ' ' TRP . . . . . 0.543 ' HB2' ' O ' ' A' ' 225' ' ' THR . 0.9 OUTLIER -65.1 -38.42 90.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.779 0.323 . . . . 10.0 110.714 179.784 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -60.99 -45.57 94.26 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.291 0.567 . . . . 10.0 109.672 178.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 231' ' ' ASN . . . . . 0.942 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 62.5 m-20 -70.83 -35.56 72.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.483 -0.78 . . . . 10.0 110.256 179.242 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 19.3 mt -65.02 -40.22 94.54 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.469 -0.567 . . . . 10.0 109.469 178.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 233' ' ' GLU . . . . . 0.464 ' HA ' ' OG1' ' A' ' 236' ' ' THR . 2.5 mm-40 -63.09 -34.5 77.73 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.665 179.204 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 234' ' ' LYS . . . . . 0.942 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 50.7 mttt -62.54 -37.4 85.94 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 108.607 -0.886 . . . . 10.0 108.607 178.237 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -72.26 -44.78 62.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.073 -0.967 . . . . 10.0 110.682 178.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 236' ' ' THR . . . . . 0.464 ' OG1' ' HA ' ' A' ' 233' ' ' GLU . 0.0 OUTLIER -63.96 -38.7 92.03 Favored 'General case' 0 CA--C 1.521 -0.143 0 C-N-CA 120.745 -0.382 . . . . 10.0 110.328 179.385 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 237' ' ' GLU . . . . . 0.425 ' HA ' ' HD2' ' A' ' 240' ' ' ARG . 10.2 tt0 -65.24 -42.1 93.7 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 108.873 -0.788 . . . . 10.0 108.873 178.454 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 238' ' ' GLY . . . . . 0.432 ' O ' ' HB2' ' A' ' 242' ' ' GLU . . . -62.66 -40.35 99.06 Favored Glycine 0 N--CA 1.447 -0.576 0 N-CA-C 110.021 -1.232 . . . . 10.0 110.021 178.005 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 13.4 mt -67.74 -34.57 77.1 Favored 'General case' 0 C--O 1.224 -0.272 0 C-N-CA 122.655 0.382 . . . . 10.0 110.662 178.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 240' ' ' ARG . . . . . 0.425 ' HD2' ' HA ' ' A' ' 237' ' ' GLU . 41.4 mtt180 -65.24 -39.69 93.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.101 0.477 . . . . 10.0 109.925 178.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -77.99 -28.03 49.16 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.014 -0.735 . . . . 10.0 109.014 178.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 242' ' ' GLU . . . . . 0.432 ' HB2' ' O ' ' A' ' 238' ' ' GLY . 3.9 tt0 -69.48 -37.2 77.16 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 108.302 -0.999 . . . . 10.0 108.302 178.433 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 243' ' ' MET . . . . . 0.456 ' HG3' HD12 ' A' ' 247' ' ' LEU . 38.1 ttm -60.57 -34.47 74.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.442 -0.799 . . . . 10.0 110.259 178.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 14.7 m -70.15 1.88 4.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.716 -0.674 . . . . 10.0 111.59 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -128.79 -46.98 1.26 Allowed 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.751 -0.659 . . . . 10.0 110.025 178.206 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 246' ' ' ASP . . . . . 0.617 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 19.6 t70 -64.43 -56.24 15.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.339 -0.391 . . . . 10.0 110.839 179.39 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 247' ' ' LEU . . . . . 0.496 ' HA ' HG12 ' A' ' 250' ' ' VAL . 13.6 mt -75.68 -40.63 55.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.387 -0.369 . . . . 10.0 111.6 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -60.49 -51.53 69.06 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.491 -0.322 . . . . 10.0 111.781 -179.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -70.53 -33.42 71.14 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 121.031 -0.268 . . . . 10.0 111.577 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 250' ' ' VAL . . . . . 0.632 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 1.9 p -67.02 -32.15 56.64 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.209 0 C-N-CA 120.889 -0.324 . . . . 10.0 110.881 179.388 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . 0.476 ' O ' HG12 ' A' ' 254' ' ' VAL . 95.7 mttt -80.55 -38.14 30.15 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-O 121.025 0.441 . . . . 10.0 110.595 179.146 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -68.41 -39.05 81.75 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.005 -0.543 . . . . 10.0 109.691 178.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 50.3 mttt -80.15 -23.68 40.95 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.718 -0.674 . . . . 10.0 111.32 179.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 254' ' ' VAL . . . . . 0.632 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.3 OUTLIER -62.74 -27.6 43.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 C-N-CA 121.066 -0.254 . . . . 10.0 110.896 -179.59 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 255' ' ' GLN . . . . . 0.475 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 27.6 mt-30 -61.04 -63.61 4.12 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.987 179.391 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 256' ' ' PRO . . . . . 0.475 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 30.0 Cg_endo -65.97 -32.82 43.88 Favored 'Trans proline' 0 C--N 1.355 0.921 0 C-N-CA 121.687 1.591 . . . . 10.0 112.057 178.527 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 4.8 m-30 -62.4 -55.19 30.29 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.871 0.367 . . . . 10.0 110.242 179.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 258' ' ' LEU . . . . . 0.435 ' HG ' HG22 ' A' ' 254' ' ' VAL . 49.6 mt -66.66 -33.5 75.79 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.855 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -62.95 -46.05 89.57 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 109.716 -0.475 . . . . 10.0 109.716 179.027 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -63.0 -47.8 81.57 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.821 -0.627 . . . . 10.0 110.272 179.186 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -61.94 -42.72 99.43 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.978 179.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -65.78 -40.47 92.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.052 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 263' ' ' LYS . . . . . 0.473 ' HE3' ' HB2' ' A' ' 263' ' ' LYS . 14.4 ttmt -61.54 -46.19 91.01 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.017 -0.734 . . . . 10.0 109.017 178.694 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 264' ' ' LYS . . . . . . . . . . . . . 44.9 mttp -61.74 -47.15 86.5 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 115.444 -0.798 . . . . 10.0 109.67 178.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 20.1 m95 -58.71 -42.54 88.91 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 115.681 -0.691 . . . . 10.0 110.782 179.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -59.33 -52.18 66.75 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 110.065 -0.346 . . . . 10.0 110.065 179.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -60.81 -47.1 87.89 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.545 179.108 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 268' ' ' GLU . . . . . 0.413 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 32.5 mt-10 -59.54 -44.1 93.32 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.715 -0.675 . . . . 10.0 111.489 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 82.4 mmm -66.53 -46.07 77.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.284 -0.416 . . . . 10.0 111.111 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -62.52 -41.75 99.06 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.583 -0.28 . . . . 10.0 110.691 179.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 35.3 mt -65.65 -39.58 91.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 10.0 109.897 178.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 272' ' ' TYR . . . . . 0.482 ' HD1' ' HA ' ' A' ' 272' ' ' TYR . 0.1 OUTLIER -63.85 -44.08 94.2 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.292 179.049 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 273' ' ' ARG . . . . . 0.704 ' HA ' HG12 ' A' ' 276' ' ' VAL . 99.5 mtt180 -69.61 -36.5 76.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.39 -0.368 . . . . 10.0 110.965 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -67.51 -17.63 64.74 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.901 -0.591 . . . . 10.0 110.045 178.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 275' ' ' LYS . . . . . 0.575 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 8.0 mptt -101.39 -44.64 5.57 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.663 -0.699 . . . . 10.0 110.808 179.329 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 276' ' ' VAL . . . . . 0.704 HG12 ' HA ' ' A' ' 273' ' ' ARG . 4.2 p -56.31 -34.87 41.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 112.773 0.657 . . . . 10.0 112.773 -178.297 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -64.05 -60.84 7.88 Favored Pre-proline 0 CA--C 1.539 0.542 0 N-CA-C 112.338 0.496 . . . . 10.0 112.338 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -64.59 -35.03 49.83 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 121.927 1.751 . . . . 10.0 111.745 178.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 279' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' A' ' 275' ' ' LYS . 51.5 mt -66.8 -37.86 85.38 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.846 0.355 . . . . 10.0 110.323 179.372 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 280' ' ' ARG . . . . . 0.593 ' HB2' ' O ' ' A' ' 276' ' ' VAL . 8.7 ttt180 -65.17 -33.24 75.54 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.079 -0.712 . . . . 10.0 109.079 179.01 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -64.46 -46.98 80.75 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.06 -0.718 . . . . 10.0 109.06 178.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -60.33 -46.14 90.96 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.259 178.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 95.2 mt -63.38 -43.77 96.65 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 115.625 -0.716 . . . . 10.0 110.898 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -66.25 -51.89 53.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 10.0 111.115 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -61.5 -42.67 99.14 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 120.79 0.329 . . . . 10.0 110.587 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -62.17 -46.26 94.35 Favored Glycine 0 N--CA 1.447 -0.601 0 N-CA-C 110.789 -0.924 . . . . 10.0 110.789 178.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -63.07 -39.95 96.23 Favored 'General case' 0 C--O 1.221 -0.422 0 N-CA-C 109.998 -0.371 . . . . 10.0 109.998 179.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -55.6 -43.84 76.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.424 179.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -74.34 -45.48 46.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.755 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -59.74 -42.45 93.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.301 -0.409 . . . . 10.0 110.544 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 291' ' ' LEU . . . . . 0.663 HD23 HD12 ' A' ' 294' ' ' LEU . 93.8 mt -67.37 -33.1 74.51 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.75 -0.463 . . . . 10.0 109.75 178.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -66.89 -42.02 86.22 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.183 -0.673 . . . . 10.0 109.183 178.073 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.94 -35.12 79.64 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.036 -0.728 . . . . 10.0 109.036 178.02 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 294' ' ' LEU . . . . . 0.663 HD12 HD23 ' A' ' 291' ' ' LEU . 76.9 mt -67.32 -48.75 66.65 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 109.069 -0.715 . . . . 10.0 109.069 178.158 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -59.97 -35.83 75.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.927 -0.579 . . . . 10.0 110.236 179.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -65.61 -7.47 15.18 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.515 -0.766 . . . . 10.0 111.3 179.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . 0.452 ' HD3' ' HA ' ' A' ' 297' ' ' LYS . 16.0 mmtp -120.75 -29.95 4.56 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 120.943 0.401 . . . . 10.0 110.13 178.555 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 298' ' ' LEU . . . . . 0.542 ' HG ' ' O ' ' A' ' 294' ' ' LEU . 91.6 mt -67.89 -32.82 73.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.349 -0.387 . . . . 10.0 111.331 179.462 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 299' ' ' SER . . . . . 0.437 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 12.8 m -74.79 -60.42 1.26 Allowed Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 112.433 0.531 . . . . 10.0 112.433 179.56 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 300' ' ' PRO . . . . . 0.437 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 32.0 Cg_endo -64.91 -53.08 0.99 Allowed 'Trans proline' 0 C--N 1.357 1.021 0 C-N-CA 121.876 1.717 . . . . 10.0 112.809 -179.451 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 301' ' ' LEU . . . . . 0.77 HD13 ' HG2' ' D' ' 473' ' ' LYS . 59.4 mt -68.3 -23.77 64.78 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.81 0.338 . . . . 10.0 110.301 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -73.54 -47.4 21.64 Favored Glycine 0 N--CA 1.448 -0.545 0 N-CA-C 110.545 -1.022 . . . . 10.0 110.545 178.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 303' ' ' GLU . . . . . 0.469 ' OE2' ' HA ' ' A' ' 303' ' ' GLU . 2.9 mm-40 -64.16 -40.44 96.15 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 109.074 -0.713 . . . . 10.0 109.074 178.342 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.16 -42.76 99.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.556 -0.747 . . . . 10.0 109.126 178.435 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 10.3 tpt -59.22 -41.47 88.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.211 179.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 306' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' A' ' 306' ' ' ARG . 63.9 mtt180 -65.93 -41.77 90.92 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.289 179.601 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 307' ' ' ASP . . . . . 0.616 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 20.0 t70 -69.29 -38.4 78.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.169 0.509 . . . . 10.0 110.08 179.208 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -65.79 -42.27 90.93 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.066 -0.716 . . . . 10.0 109.066 178.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 309' ' ' ALA . . . . . 0.588 ' HA ' ' HB2' ' A' ' 312' ' ' HIS . . . -61.52 -31.84 71.86 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.529 -0.76 . . . . 10.0 109.791 178.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 310' ' ' ARG . . . . . 0.616 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 89.6 mtt180 -58.18 -57.78 11.34 Favored 'General case' 0 C--O 1.221 -0.42 0 N-CA-C 109.017 -0.734 . . . . 10.0 109.017 178.446 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -67.64 -36.47 80.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.092 -0.504 . . . . 10.0 110.684 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 312' ' ' HIS . . . . . 0.588 ' HB2' ' HA ' ' A' ' 309' ' ' ALA . 0.2 OUTLIER -53.43 -52.35 59.69 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 115.95 -0.568 . . . . 10.0 109.929 179.397 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 60.4 t -81.28 -36.2 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.455 -0.793 . . . . 10.0 111.758 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 314' ' ' ASP . . . . . 0.544 ' HB2' ' O ' ' A' ' 310' ' ' ARG . 6.8 t70 -54.5 -47.12 73.42 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.699 0.285 . . . . 10.0 111.107 -179.556 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 315' ' ' ALA . . . . . 0.58 ' O ' ' HB2' ' A' ' 319' ' ' HIS . . . -61.39 -41.59 97.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.914 -0.585 . . . . 10.0 110.287 179.438 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 316' ' ' LEU . . . . . 0.47 ' HG ' ' HE3' ' D' ' 462' ' ' LYS . 29.1 mt -69.1 -40.27 78.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.989 -0.551 . . . . 10.0 111.273 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 25.2 ttm105 -65.81 -46.99 76.57 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.976 -0.379 . . . . 10.0 109.976 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 88.9 m -64.68 -35.2 80.27 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.637 -0.505 . . . . 10.0 109.637 179.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 319' ' ' HIS . . . . . 0.58 ' HB2' ' O ' ' A' ' 315' ' ' ALA . 0.1 OUTLIER -73.24 -32.39 64.7 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.15 -0.477 . . . . 10.0 110.186 179.488 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . 0.741 HD21 ' H20' ' D' ' 601' ' ' PCW . 1.4 mt -74.24 -22.73 59.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.789 -0.641 . . . . 10.0 111.807 -179.682 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 321' ' ' ALA . . . . . 0.729 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -54.67 -58.57 13.65 Favored Pre-proline 0 CA--C 1.536 0.411 0 N-CA-C 112.108 0.41 . . . . 10.0 112.108 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . 0.729 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 12.7 Cg_exo -73.94 -28.13 11.49 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 121.909 1.739 . . . . 10.0 110.747 178.695 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 323' ' ' TYR . . . . . 0.505 ' HB2' ' HA ' ' A' ' 320' ' ' LEU . 8.4 m-30 -63.99 -51.35 64.72 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.076 -0.511 . . . . 10.0 111.187 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 324' ' ' SER . . . . . 0.469 ' HA ' ' HB2' ' A' ' 327' ' ' LEU . 35.0 p -68.3 -35.85 78.44 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.879 0.371 . . . . 10.0 110.186 179.561 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -59.27 -49.86 76.2 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.399 -0.593 . . . . 10.0 109.399 178.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -72.88 -24.56 60.87 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.696 -0.684 . . . . 10.0 110.768 179.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . 0.469 ' HB2' ' HA ' ' A' ' 324' ' ' SER . 7.0 mt -64.55 -36.04 82.91 Favored 'General case' 0 CA--C 1.52 -0.188 0 N-CA-C 108.86 -0.793 . . . . 10.0 108.86 177.468 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 328' ' ' ARG . . . . . 0.468 ' HG3' ' O ' ' A' ' 324' ' ' SER . 63.7 mtt180 -65.34 -37.01 85.77 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 108.768 -0.827 . . . . 10.0 108.768 178.122 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -70.32 -37.38 74.7 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.539 -0.755 . . . . 10.0 109.39 178.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 330' ' ' ARG . . . . . 0.43 HH21 ' CB ' ' D' ' 447' ' ' GLU . 16.7 mtt-85 -62.91 -47.67 82.25 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 108.342 -0.985 . . . . 10.0 108.342 177.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 48.2 mt -61.15 -41.2 96.33 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 115.074 -0.966 . . . . 10.0 109.687 178.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -60.88 -48.35 82.22 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.017 179.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -59.9 -46.21 90.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.458 -0.337 . . . . 10.0 110.519 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -63.3 -45.58 90.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.042 -0.527 . . . . 10.0 109.916 179.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 53.8 mt -63.77 -40.95 97.94 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.494 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -62.14 -40.93 97.61 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.71 -0.478 . . . . 10.0 109.71 179.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 337' ' ' ALA . . . . . 0.404 ' O ' ' HB3' ' A' ' 341' ' ' ASN . . . -65.89 -40.76 91.86 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.07 -0.715 . . . . 10.0 109.07 178.244 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 338' ' ' LEU . . . . . 0.58 ' O ' ' HA3' ' A' ' 342' ' ' GLY . 83.5 mt -74.6 -7.01 51.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.645 -0.707 . . . . 10.0 110.656 179.324 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 54.3 mttt -96.3 -53.06 3.75 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.507 -0.553 . . . . 10.0 109.507 179.045 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -66.38 -58.54 5.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.927 -0.579 . . . . 10.0 109.831 179.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 341' ' ' ASN . . . . . 0.485 ' O ' ' HG3' ' A' ' 345' ' ' ARG . 26.7 t-20 -70.52 -36.2 73.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.716 -0.675 . . . . 10.0 109.698 179.444 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 342' ' ' GLY . . . . . 0.58 ' HA3' ' O ' ' A' ' 338' ' ' LEU . . . -59.27 -44.73 96.28 Favored Glycine 0 C--N 1.335 0.514 0 CA-C-N 115.769 -0.65 . . . . 10.0 111.57 179.334 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -62.16 -39.78 98.1 Favored Glycine 0 N--CA 1.45 -0.381 0 N-CA-C 110.697 -0.961 . . . . 10.0 110.697 178.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -64.37 -40.62 96.2 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.821 -0.437 . . . . 10.0 109.821 178.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 345' ' ' ARG . . . . . 0.485 ' HG3' ' O ' ' A' ' 341' ' ' ASN . 46.8 mtm180 -62.05 -41.38 98.07 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 115.898 -0.592 . . . . 10.0 109.886 178.732 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 70.6 mt -63.27 -49.28 74.67 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.138 -0.483 . . . . 10.0 109.81 179.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.41 -41.62 89.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.094 179.206 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 348' ' ' GLU . . . . . 0.431 ' OE1' ' HB2' ' D' ' 429' ' ' ASN . 16.5 mt-10 -65.58 -45.94 81.33 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.867 -0.606 . . . . 10.0 110.147 178.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 5.4 m-30 -60.35 -41.72 94.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.355 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 48.4 m-70 -66.18 -42.2 89.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.481 179.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -63.65 -44.04 95.01 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.033 0.444 . . . . 10.0 110.102 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 10.9 mtmm -66.16 -34.67 78.56 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 115.721 -0.672 . . . . 10.0 109.863 178.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . 0.423 ' O ' ' HG ' ' A' ' 357' ' ' LEU . . . -63.17 -40.31 97.17 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.44 -0.578 . . . . 10.0 109.44 178.674 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 2.6 m -64.28 -35.91 82.37 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.57 -0.53 . . . . 10.0 109.57 178.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -66.27 -36.83 84.0 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 109.243 -0.651 . . . . 10.0 109.243 178.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 45.2 m-70 -73.26 -27.77 61.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.417 -0.811 . . . . 10.0 109.984 178.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 357' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 353' ' ' ALA . 79.6 mt -74.41 -42.11 59.76 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.992 -0.549 . . . . 10.0 111.664 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 1.4 p -64.85 -43.02 94.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.067 0.461 . . . . 10.0 110.057 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 359' ' ' THR . . . . . 0.579 HG21 ' HG3' ' D' ' 418' ' ' GLN . 4.3 p -71.24 -25.98 62.71 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.932 -0.576 . . . . 10.0 109.558 178.581 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 38.0 tp -69.77 -31.05 68.78 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 108.569 -0.9 . . . . 10.0 108.569 177.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 15.5 m -63.07 -32.43 73.8 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.839 -0.619 . . . . 10.0 109.975 178.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -68.55 -22.16 64.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.633 0.73 . . . . 10.0 109.358 179.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 363' ' ' LYS . . . . . 0.665 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 92.0 mttt -92.17 -40.77 10.82 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.469 -0.787 . . . . 10.0 109.124 178.656 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -67.64 -35.01 78.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.744 -0.662 . . . . 10.0 112.203 -179.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 365' ' ' LYS . . . . . 0.78 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 41.3 mtmt -105.94 -74.42 0.02 OUTLIER Pre-proline 0 C--N 1.327 -0.4 0 N-CA-C 113.497 0.925 . . . . 10.0 113.497 -179.708 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 366' ' ' PRO . . . . . 0.78 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 52.3 Cg_exo -54.66 -49.53 16.48 Favored 'Trans proline' 0 C--N 1.357 0.998 0 C-N-CA 122.324 2.016 . . . . 10.0 113.817 -179.14 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 367' ' ' ALA . . . . . 0.665 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -66.87 -56.95 8.05 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.262 0.468 . . . . 10.0 112.262 -179.479 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 368' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 368' ' ' LEU . 18.3 mt -55.81 -43.14 76.62 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 112.405 0.52 . . . . 10.0 112.405 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -60.69 -51.3 69.94 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.639 -0.504 . . . . 10.0 109.639 179.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.52 -39.35 90.7 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.979 -0.555 . . . . 10.0 111.325 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 71.7 mt -61.83 -49.07 77.77 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.961 -0.563 . . . . 10.0 109.9 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -64.24 -36.15 83.15 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.158 -0.473 . . . . 10.0 110.607 179.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -65.86 -19.19 65.79 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 121.062 0.458 . . . . 10.0 110.472 178.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -97.75 -32.4 6.26 Favored Glycine 0 N--CA 1.447 -0.609 0 N-CA-C 110.915 -0.874 . . . . 10.0 110.915 178.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 84.8 mt -68.84 -35.98 77.6 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 111.653 0.242 . . . . 10.0 111.653 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 20.5 mt -56.26 -59.23 12.52 Favored Pre-proline 0 N--CA 1.468 0.466 0 N-CA-C 112.987 0.736 . . . . 10.0 112.987 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -60.46 -32.82 94.22 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 121.918 1.746 . . . . 10.0 111.029 178.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 25.2 t -67.38 -40.12 84.05 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 N-CA-C 109.586 -0.524 . . . . 10.0 109.586 178.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 20.7 mt -62.54 -40.52 97.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.979 -0.555 . . . . 10.0 109.847 178.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 380' ' ' GLU . . . . . 0.494 ' O ' HG23 ' A' ' 384' ' ' VAL . 35.2 mm-40 -61.46 -43.33 99.05 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 109.323 -0.621 . . . . 10.0 109.323 178.381 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 12.3 m -64.65 -38.81 92.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.733 -0.667 . . . . 10.0 109.684 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -68.11 -35.77 78.67 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.809 -0.632 . . . . 10.0 110.586 178.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 383' ' ' LYS . . . . . 0.415 ' O ' ' HG ' ' A' ' 387' ' ' LEU . 87.9 mttt -59.5 -47.71 84.47 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 109.354 -0.61 . . . . 10.0 109.354 178.442 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 384' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 380' ' ' GLU . 34.7 t -60.71 -48.16 89.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.66 -0.7 . . . . 10.0 109.337 178.658 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 15.3 m -57.83 -41.3 82.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.732 -0.667 . . . . 10.0 110.852 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -64.24 -44.19 92.61 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.424 179.079 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 387' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 383' ' ' LYS . 94.8 mt -58.29 -50.41 73.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.479 -0.782 . . . . 10.0 110.775 -179.687 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 388' ' ' SER . . . . . 0.881 ' HB2' ' HG2' ' D' ' 594' ' ' LYS . 2.0 p -67.21 -38.26 84.99 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 116.21 -0.45 . . . . 10.0 111.475 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -63.2 -48.17 79.46 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 120.598 0.237 . . . . 10.0 110.9 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 54.8 mt -60.56 -43.29 97.44 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.247 -0.433 . . . . 10.0 109.935 179.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -61.86 -50.09 73.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.525 -0.761 . . . . 10.0 110.623 179.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 392' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' ' 388' ' ' SER . 49.5 mm-40 -54.45 -56.08 22.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.109 -0.496 . . . . 10.0 111.945 -179.527 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -57.21 -43.35 82.67 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.586 0.587 . . . . 10.0 112.586 -179.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 10.9 m -73.36 -29.74 62.85 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.467 0.543 . . . . 10.0 112.467 -179.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 41.1 mtmt -70.53 -36.63 73.83 Favored 'General case' 0 N--CA 1.464 0.228 0 O-C-N 122.272 -0.268 . . . . 10.0 111.705 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 3.3 mptt -87.71 -46.39 9.53 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.779 0.659 . . . . 10.0 112.779 -179.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 75.4 mt -76.55 -26.16 54.84 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.071 0.767 . . . . 10.0 113.071 -178.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 54.8 t30 . . . . . 0 C--N 1.327 -0.385 0 N-CA-C 112.08 0.4 . . . . 10.0 112.08 -178.959 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 2.9 mm? . . . . . 0 CA--C 1.523 -0.075 0 CA-C-O 121.517 0.675 . . . . 10.0 110.467 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -86.37 19.15 2.87 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.407 -0.815 . . . . 10.0 110.221 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 22.6 mt -61.59 -48.91 78.81 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.242 -0.89 . . . . 10.0 110.971 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 91.5 mt -66.95 -34.18 77.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.793 0.33 . . . . 10.0 111.126 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -62.33 -49.96 73.54 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.568 -0.53 . . . . 10.0 109.568 179.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -68.74 -40.95 79.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.424 -0.807 . . . . 10.0 110.235 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 12.6 t90 -55.57 -42.23 74.41 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.672 -0.695 . . . . 10.0 110.427 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -61.07 -50.29 73.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.052 -0.522 . . . . 10.0 111.161 179.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 19.6 m -60.53 -41.39 94.37 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.463 -0.335 . . . . 10.0 111.187 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 88.5 t -65.26 -45.8 92.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.814 0.34 . . . . 10.0 110.377 179.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 409' ' ' THR . . . . . 0.536 ' HA ' ' HD2' ' D' ' 412' ' ' PHE . 20.5 m -64.25 -34.25 77.68 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.914 -0.402 . . . . 10.0 109.914 179.065 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 68.7 m -67.62 -27.22 66.71 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.466 -0.568 . . . . 10.0 109.466 178.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 24.1 m -69.72 -35.81 75.35 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.385 -0.969 . . . . 10.0 108.385 177.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 412' ' ' PHE . . . . . 0.536 ' HD2' ' HA ' ' D' ' 409' ' ' THR . 25.7 m-85 -66.26 -35.93 81.68 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 108.929 -0.767 . . . . 10.0 108.929 178.145 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 3.4 m -64.3 -38.78 92.26 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 108.608 -0.886 . . . . 10.0 108.608 177.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 414' ' ' LYS . . . . . 0.422 ' HD3' ' HA ' ' D' ' 414' ' ' LYS . 47.0 mmtt -64.58 -34.19 77.68 Favored 'General case' 0 CA--C 1.522 -0.117 0 CA-C-N 115.912 -0.585 . . . . 10.0 109.474 178.614 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 415' ' ' LEU . . . . . 0.471 ' O ' ' HG ' ' D' ' 419' ' ' LEU . 76.4 mt -65.98 -39.57 90.47 Favored 'General case' 0 N--CA 1.453 -0.325 0 N-CA-C 108.913 -0.773 . . . . 10.0 108.913 178.447 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 36.4 mtt180 -69.26 -34.15 74.33 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.72 -0.673 . . . . 10.0 110.136 178.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -62.41 -29.65 70.65 Favored 'General case' 0 C--O 1.227 -0.103 0 N-CA-C 109.306 -0.627 . . . . 10.0 109.306 177.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 418' ' ' GLN . . . . . 0.579 ' HG3' HG21 ' A' ' 359' ' ' THR . 35.0 mt-30 -83.45 -52.96 6.06 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.734 -0.839 . . . . 10.0 108.734 178.568 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 419' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' D' ' 415' ' ' LEU . 87.5 mt -44.81 -47.94 10.98 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 115.28 -0.873 . . . . 10.0 112.87 -179.019 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -50.41 -79.16 0.08 OUTLIER Glycine 0 CA--C 1.523 0.535 0 C-N-CA 121.126 -0.559 . . . . 10.0 113.326 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -57.3 -39.84 86.8 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.872 2.381 . . . . 10.0 112.649 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 37.2 t -60.02 -50.68 79.23 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.198 0 N-CA-C 112.434 0.531 . . . . 10.0 112.434 -179.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 423' ' ' THR . . . . . 0.555 ' HA ' ' HB3' ' D' ' 426' ' ' PHE . 59.9 p -65.98 -30.49 71.05 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 120.51 -0.476 . . . . 10.0 111.74 -179.567 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -59.84 -45.32 92.79 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 120.963 0.411 . . . . 10.0 110.293 179.115 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -86.62 -21.67 26.63 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.791 178.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 426' ' ' PHE . . . . . 0.555 ' HB3' ' HA ' ' D' ' 423' ' ' THR . 49.7 t80 -64.81 -41.36 95.84 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.58 -0.896 . . . . 10.0 108.58 178.368 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 21.1 m0 -69.73 -37.3 76.45 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.792 -0.818 . . . . 10.0 108.792 178.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 428' ' ' ASP . . . . . 0.474 ' O ' ' HB2' ' D' ' 432' ' ' LYS . 32.2 t70 -63.41 -38.89 92.91 Favored 'General case' 0 CA--C 1.519 -0.227 0 N-CA-C 108.683 -0.858 . . . . 10.0 108.683 178.259 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 429' ' ' ASN . . . . . 0.431 ' HB2' ' OE1' ' A' ' 348' ' ' GLU . 4.8 t30 -66.56 -48.34 69.96 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.327 -0.851 . . . . 10.0 109.197 178.097 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 58.0 mt -56.18 -50.54 70.9 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.395 179.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -59.48 -44.38 93.05 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.077 -0.511 . . . . 10.0 109.819 179.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 432' ' ' LYS . . . . . 0.511 ' HB2' ' HZ2' ' D' ' 432' ' ' LYS . 0.8 OUTLIER -58.15 -46.73 85.15 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.806 -0.634 . . . . 10.0 110.229 178.938 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -60.9 -53.7 54.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.45 -0.795 . . . . 10.0 110.47 179.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 6.0 p -59.22 -38.8 80.82 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-N 116.475 -0.33 . . . . 10.0 111.591 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -65.5 -43.89 88.74 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 116.821 -0.172 . . . . 10.0 110.837 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -67.16 -39.64 92.58 Favored Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 110.611 -0.996 . . . . 10.0 110.611 178.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 437' ' ' LEU . . . . . 0.459 ' O ' ' HG3' ' D' ' 440' ' ' GLU . 94.0 mt -68.62 -28.17 66.67 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-O 120.738 0.304 . . . . 10.0 110.942 179.174 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 43.9 mtt180 -66.91 -25.13 66.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.575 -0.284 . . . . 10.0 111.189 179.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -70.84 -48.06 55.99 Favored 'General case' 0 C--O 1.232 0.169 0 N-CA-C 109.559 -0.534 . . . . 10.0 109.559 178.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 440' ' ' GLU . . . . . 0.567 ' O ' ' HB2' ' D' ' 444' ' ' ASP . 0.0 OUTLIER -73.98 -26.11 60.28 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.242 178.908 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 441' ' ' MET . . . . . 0.416 ' HB2' ' O ' ' D' ' 437' ' ' LEU . 5.8 mmm -71.22 -44.6 65.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.914 -0.585 . . . . 10.0 111.8 179.625 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 10.8 p -61.91 -45.34 94.16 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.32 -0.622 . . . . 10.0 109.32 179.367 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 4.3 mtpp -65.35 -39.47 92.38 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.472 -0.786 . . . . 10.0 109.994 178.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 444' ' ' ASP . . . . . 0.567 ' HB2' ' O ' ' D' ' 440' ' ' GLU . 3.0 t70 -61.0 -51.96 67.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.399 179.605 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 73.6 mt -60.18 -50.3 74.23 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.28 0.474 . . . . 10.0 112.28 -179.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -63.98 -41.03 97.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.644 0.259 . . . . 10.0 111.166 -179.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 447' ' ' GLU . . . . . 0.43 ' CB ' HH21 ' A' ' 330' ' ' ARG . 20.2 mt-10 -66.11 -38.02 87.17 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 109.755 -0.461 . . . . 10.0 109.755 178.635 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 2.3 t -58.31 -44.3 87.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.014 -0.539 . . . . 10.0 109.608 178.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -65.81 -31.06 71.81 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.068 -0.515 . . . . 10.0 110.885 179.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -89.72 -8.22 52.81 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.609 0.596 . . . . 10.0 112.609 -179.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 451' ' ' LYS . . . . . 0.465 ' O ' ' HB2' ' D' ' 455' ' ' TYR . 54.2 mttm -114.02 -44.61 3.13 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.042 0.386 . . . . 10.0 112.042 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 55.9 t -62.63 -38.91 82.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.496 -0.32 . . . . 10.0 111.155 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -58.8 -60.16 11.35 Favored Pre-proline 0 C--N 1.33 -0.262 0 N-CA-C 112.485 0.55 . . . . 10.0 112.485 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -63.85 -25.7 67.6 Favored 'Trans proline' 0 C--N 1.353 0.814 0 C-N-CA 121.965 1.777 . . . . 10.0 111.435 178.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 455' ' ' TYR . . . . . 0.465 ' HB2' ' O ' ' D' ' 451' ' ' LYS . 1.5 t80 -72.59 -40.02 66.89 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.027 -0.731 . . . . 10.0 109.027 178.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 34.2 mt -66.99 -35.5 80.09 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 109.083 -0.71 . . . . 10.0 109.083 178.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -69.7 -41.62 75.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.374 -0.83 . . . . 10.0 109.339 178.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -62.4 -44.62 96.02 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 108.544 -0.909 . . . . 10.0 108.544 177.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 459' ' ' PHE . . . . . 0.54 ' CE2' H281 ' D' ' 602' ' ' PCW . 1.2 m-30 -64.7 -40.84 96.06 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.322 -0.854 . . . . 10.0 109.966 178.147 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 460' ' ' GLN . . . . . 0.508 ' O ' ' HB2' ' D' ' 464' ' ' GLN . 6.3 mt-30 -58.45 -40.61 83.09 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.317 179.231 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 461' ' ' LYS . . . . . 0.406 ' O ' ' HG3' ' D' ' 465' ' ' GLU . 51.9 mttt -68.42 -42.89 78.27 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.302 179.17 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 462' ' ' LYS . . . . . 1.047 ' HD2' H283 ' D' ' 602' ' ' PCW . 2.1 ttmm -65.44 -45.34 84.2 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.892 -0.595 . . . . 10.0 110.345 179.705 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 463' ' ' TRP . . . . . 0.573 ' HE1' ' H77' ' D' ' 629' ' ' 17F . 50.1 m0 -68.45 -30.1 68.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.019 178.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 464' ' ' GLN . . . . . 0.508 ' HB2' ' O ' ' D' ' 460' ' ' GLN . 44.2 tt0 -65.73 -49.12 69.61 Favored 'General case' 0 CA--C 1.514 -0.419 0 N-CA-C 108.272 -1.01 . . . . 10.0 108.272 178.27 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 465' ' ' GLU . . . . . 0.734 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 77.5 mt-10 -61.89 -44.95 95.76 Favored 'General case' 0 C--O 1.223 -0.342 0 N-CA-C 108.449 -0.945 . . . . 10.0 108.449 177.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 31.1 tp10 -54.26 -47.84 71.84 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.478 -0.783 . . . . 10.0 110.196 179.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 66.9 mtm -65.72 -42.7 90.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.048 -0.524 . . . . 10.0 110.398 179.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -61.84 -38.27 87.58 Favored 'General case' 0 C--N 1.334 -0.075 0 N-CA-C 109.487 -0.56 . . . . 10.0 109.487 178.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 469' ' ' LEU . . . . . 0.734 ' HG ' ' O ' ' D' ' 465' ' ' GLU . 77.2 mt -61.25 -40.51 94.34 Favored 'General case' 0 C--O 1.218 -0.574 0 N-CA-C 109.351 -0.611 . . . . 10.0 109.351 178.369 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 23.4 m-30 -65.17 -32.06 73.56 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.588 179.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 471' ' ' ARG . . . . . 0.477 ' HA ' ' HG3' ' D' ' 475' ' ' GLU . 99.4 mtt180 -71.98 -27.22 62.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 10.0 110.011 178.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -103.39 4.66 36.48 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.01 -0.541 . . . . 10.0 111.294 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 473' ' ' LYS . . . . . 0.77 ' HG2' HD13 ' A' ' 301' ' ' LEU . 82.3 mttt -131.57 -73.29 0.53 Allowed 'General case' 0 C--O 1.221 -0.402 0 CA-C-N 116.473 -0.331 . . . . 10.0 110.681 179.421 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 474' ' ' VAL . . . . . 0.529 ' O ' ' HB2' ' D' ' 478' ' ' ARG . 95.5 t -52.07 -44.55 39.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.445 -0.343 . . . . 10.0 111.736 -179.627 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 475' ' ' GLU . . . . . 0.477 ' HG3' ' HA ' ' D' ' 471' ' ' ARG . 4.8 mm-40 -59.68 -61.53 7.7 Favored Pre-proline 0 CA--C 1.537 0.468 0 N-CA-C 112.786 0.661 . . . . 10.0 112.786 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -64.23 -36.23 47.56 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 121.592 1.528 . . . . 10.0 112.049 178.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 65.4 mt -65.67 -37.1 85.56 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 110.103 -0.332 . . . . 10.0 110.103 179.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 478' ' ' ARG . . . . . 0.529 ' HB2' ' O ' ' D' ' 474' ' ' VAL . 1.2 ttt180 -63.32 -33.18 74.96 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 109.573 -0.528 . . . . 10.0 109.573 178.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -74.02 -46.59 42.56 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.868 -0.605 . . . . 10.0 109.485 179.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.79 -44.46 96.79 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.4 0.619 . . . . 10.0 109.772 178.71 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 63.4 mt -68.13 -33.34 74.31 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.656 -0.702 . . . . 10.0 110.46 179.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -67.5 -45.42 75.86 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.319 -0.623 . . . . 10.0 109.319 178.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -64.88 -44.18 90.51 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.805 -0.634 . . . . 10.0 109.382 178.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -64.54 -34.33 89.61 Favored Glycine 0 N--CA 1.45 -0.425 0 N-CA-C 111.212 -0.755 . . . . 10.0 111.212 178.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -68.73 -39.5 80.37 Favored 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 109.291 -0.633 . . . . 10.0 109.291 178.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 83.8 mtt180 -63.65 -36.84 85.17 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 108.883 -0.784 . . . . 10.0 108.883 178.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -67.43 -43.41 81.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.481 -0.781 . . . . 10.0 108.935 177.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 488' ' ' LYS . . . . . 0.407 ' O ' ' HG ' ' D' ' 492' ' ' LEU . 84.0 tttt -62.96 -39.79 95.73 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.805 -0.634 . . . . 10.0 109.597 178.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 84.2 mt -66.16 -38.34 87.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.702 -0.681 . . . . 10.0 109.266 178.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 9.0 t-160 -63.38 -42.85 98.86 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 108.775 -0.824 . . . . 10.0 108.775 178.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -58.79 -44.52 90.73 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 108.841 -0.8 . . . . 10.0 108.841 178.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 492' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' D' ' 488' ' ' LYS . 92.0 mt -64.59 -42.91 95.28 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.31 -0.859 . . . . 10.0 110.66 179.633 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -59.95 -38.62 83.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.002 0.43 . . . . 10.0 110.827 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 -75.27 -0.98 21.41 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 115.88 -0.6 . . . . 10.0 111.189 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 495' ' ' LYS . . . . . 0.592 ' O ' ' HB2' ' D' ' 499' ' ' LEU . 18.9 mttp -116.7 -43.17 2.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.761 0.315 . . . . 10.0 110.724 179.018 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 496' ' ' LEU . . . . . 0.552 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 78.1 mt -65.04 -20.07 66.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.257 -0.428 . . . . 10.0 111.601 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 497' ' ' SER . . . . . 0.541 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 7.9 m -83.28 -67.08 0.2 Allowed Pre-proline 0 C--N 1.326 -0.429 0 N-CA-C 111.847 0.314 . . . . 10.0 111.847 179.001 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 498' ' ' PRO . . . . . 0.541 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 36.6 Cg_endo -65.57 -51.01 1.53 Allowed 'Trans proline' 0 C--N 1.357 1.002 0 C-N-CA 121.6 1.533 . . . . 10.0 112.136 179.74 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 499' ' ' LEU . . . . . 0.592 ' HB2' ' O ' ' D' ' 495' ' ' LYS . 58.1 mt -70.05 -28.85 65.8 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 109.9 -0.408 . . . . 10.0 109.9 179.513 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 500' ' ' GLY . . . . . 0.552 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -65.21 -53.1 35.09 Favored Glycine 0 N--CA 1.445 -0.749 0 N-CA-C 110.53 -1.028 . . . . 10.0 110.53 178.746 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -63.9 -35.77 81.74 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.899 -0.408 . . . . 10.0 109.899 179.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 502' ' ' GLU . . . . . 0.502 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 27.9 tt0 -63.74 -47.16 82.16 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.787 -0.642 . . . . 10.0 109.69 178.403 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 503' ' ' MET . . . . . 0.511 ' HA ' ' HD2' ' D' ' 506' ' ' ARG . 79.2 mmm -62.51 -37.02 84.42 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 178.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 504' ' ' ARG . . . . . 0.507 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 77.3 mtt180 -66.16 -42.5 88.91 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.243 -0.651 . . . . 10.0 109.243 178.698 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -66.89 -37.52 84.53 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.87 -0.605 . . . . 10.0 109.87 179.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 506' ' ' ARG . . . . . 0.511 ' HD2' ' HA ' ' D' ' 503' ' ' MET . 60.6 mtt180 -59.82 -48.12 82.98 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 107.871 -1.159 . . . . 10.0 107.871 177.578 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -63.72 -35.73 81.53 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.027 -0.988 . . . . 10.0 110.243 179.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 508' ' ' ARG . . . . . 0.513 ' O ' ' HB2' ' D' ' 512' ' ' ASP . 48.6 mtt180 -61.3 -48.89 79.31 Favored 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 108.693 -0.854 . . . . 10.0 108.693 178.537 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 509' ' ' ALA . . . . . . . . . . . . . . . -64.69 -37.08 86.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.413 179.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 510' ' ' HIS . . . . . 0.443 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 4.0 m-70 -62.66 -53.73 50.08 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.377 179.039 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 62.0 t -66.79 -35.16 74.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.688 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 512' ' ' ASP . . . . . 0.513 ' HB2' ' O ' ' D' ' 508' ' ' ARG . 8.0 t0 -60.66 -44.0 96.95 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.194 -0.669 . . . . 10.0 109.194 178.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -70.63 -43.45 69.24 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.351 -0.841 . . . . 10.0 109.66 178.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 514' ' ' LEU . . . . . 0.603 ' HA ' ' HB2' ' D' ' 517' ' ' HIS . 74.1 mt -59.03 -34.5 71.98 Favored 'General case' 0 C--O 1.225 -0.191 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.375 179.568 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 515' ' ' ARG . . . . . . . . . . . . . 6.3 mtm105 -66.88 -20.77 65.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.402 0.62 . . . . 10.0 110.135 178.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.89 11.33 22.34 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.631 -0.713 . . . . 10.0 109.29 179.037 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 517' ' ' HIS . . . . . 0.603 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 17.5 m170 -118.67 -59.6 1.85 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.415 -0.811 . . . . 10.0 110.181 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 69.0 mt -72.93 -50.57 22.79 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.748 -0.66 . . . . 10.0 111.977 -178.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 519' ' ' ALA . . . . . 0.689 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -54.81 -57.46 19.15 Favored Pre-proline 0 C--N 1.329 -0.293 0 N-CA-C 112.156 0.428 . . . . 10.0 112.156 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 520' ' ' PRO . . . . . 0.689 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 53.2 Cg_exo -60.23 -33.63 94.6 Favored 'Trans proline' 0 C--N 1.357 1.002 0 C-N-CA 122.115 1.877 . . . . 10.0 111.456 178.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 521' ' ' TYR . . . . . 0.535 ' HA ' ' OE1' ' D' ' 524' ' ' GLU . 14.2 t80 -70.6 -36.11 73.35 Favored 'General case' 0 CA--C 1.518 -0.262 0 C-N-CA 120.783 -0.367 . . . . 10.0 110.202 179.464 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 49.2 m -65.97 -30.12 70.63 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.137 -0.69 . . . . 10.0 109.137 178.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.24 -41.41 90.04 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.648 -0.871 . . . . 10.0 108.648 178.392 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 524' ' ' GLU . . . . . 0.535 ' OE1' ' HA ' ' D' ' 521' ' ' TYR . 5.6 mt-10 -72.58 -33.46 66.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.44 -0.8 . . . . 10.0 109.386 178.302 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 53.9 mt -65.6 -33.97 77.14 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 115.587 -0.733 . . . . 10.0 109.224 177.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 526' ' ' ARG . . . . . . . . . . . . . 52.4 mtt180 -62.87 -33.8 76.03 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.311 178.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -70.56 -43.94 68.44 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.106 -0.701 . . . . 10.0 109.106 178.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 528' ' ' ARG . . . . . 0.617 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 62.2 mtt180 -65.7 -40.09 91.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.529 -0.76 . . . . 10.0 109.507 179.04 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 23.0 mt -65.62 -38.84 90.57 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.631 -0.713 . . . . 10.0 109.858 178.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -60.94 -45.42 94.77 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.802 -0.444 . . . . 10.0 109.802 179.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -68.19 -42.68 79.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.963 -0.562 . . . . 10.0 109.957 178.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 34.7 ttm180 -60.4 -49.37 77.86 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.746 -0.661 . . . . 10.0 109.986 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 82.9 mt -65.32 -36.81 85.2 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.388 179.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -59.48 -47.36 85.81 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.889 -0.782 . . . . 10.0 108.889 179.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -65.89 -45.6 81.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.691 -0.686 . . . . 10.0 110.509 178.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 69.3 mt -59.64 -40.32 87.27 Favored 'General case' 0 C--O 1.226 -0.152 0 CA-C-N 116.372 -0.376 . . . . 10.0 111.529 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 537' ' ' LYS . . . . . 0.431 ' HE3' ' HB2' ' D' ' 537' ' ' LYS . 19.1 mtmt -72.57 -39.36 67.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.759 0.314 . . . . 10.0 110.406 179.147 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -64.96 -54.45 30.35 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.497 179.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -67.94 -33.1 74.03 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.438 -0.578 . . . . 10.0 109.438 179.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 540' ' ' GLY . . . . . 0.466 ' O ' ' HG ' ' D' ' 544' ' ' LEU . . . -63.27 -45.79 94.4 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 111.33 -0.708 . . . . 10.0 111.33 179.292 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -60.01 -42.46 98.38 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.671 -0.776 . . . . 10.0 111.194 179.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -66.75 -49.72 65.04 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.733 -0.469 . . . . 10.0 109.733 178.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 543' ' ' ARG . . . . . 0.443 ' O ' ' HB2' ' D' ' 547' ' ' TYR . 49.2 mtt85 -58.05 -37.24 74.04 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.922 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 544' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' D' ' 540' ' ' GLY . 74.2 mt -62.29 -47.44 84.28 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.937 -0.394 . . . . 10.0 109.937 178.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -63.27 -43.71 97.18 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.869 -0.605 . . . . 10.0 109.728 179.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -63.75 -46.67 84.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.396 179.019 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 547' ' ' TYR . . . . . 0.443 ' HB2' ' O ' ' D' ' 543' ' ' ARG . 0.9 OUTLIER -60.16 -43.97 95.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.453 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -64.24 -42.88 96.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.94 -0.573 . . . . 10.0 109.782 178.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -61.52 -47.78 84.02 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.579 -0.526 . . . . 10.0 109.579 178.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.17 -37.16 84.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.787 -0.642 . . . . 10.0 109.86 179.029 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -66.73 -34.3 77.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.193 178.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 5.7 m -69.5 -39.2 77.76 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.352 -0.61 . . . . 10.0 109.352 178.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -68.01 -43.63 78.39 Favored 'General case' 0 C--O 1.231 0.128 0 N-CA-C 108.391 -0.966 . . . . 10.0 108.391 177.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 554' ' ' HIS . . . . . 0.585 ' O ' ' HG ' ' D' ' 558' ' ' LEU . 15.8 t60 -60.9 -39.26 88.65 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.08 -0.964 . . . . 10.0 109.097 179.15 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 555' ' ' LEU . . . . . 0.618 ' HA ' HD12 ' D' ' 558' ' ' LEU . 42.4 tp -62.57 -41.32 98.85 Favored 'General case' 0 CA--C 1.521 -0.138 0 CA-C-N 115.55 -0.75 . . . . 10.0 109.934 178.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 68.8 m -63.16 -43.28 98.75 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.275 -0.639 . . . . 10.0 109.275 178.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 6.3 m -64.2 -38.26 90.41 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.983 -0.553 . . . . 10.0 109.533 178.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 558' ' ' LEU . . . . . 0.618 HD12 ' HA ' ' D' ' 555' ' ' LEU . 92.4 mt -58.29 -53.36 59.13 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 115.896 -0.593 . . . . 10.0 109.96 179.121 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.86 -39.51 83.75 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 123.226 0.329 . . . . 10.0 110.898 -179.705 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -59.96 -30.1 68.87 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 115.757 -0.656 . . . . 10.0 111.381 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.16 -37.44 9.31 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 111.72 0.267 . . . . 10.0 111.72 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -62.75 -42.9 99.89 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 112.714 0.635 . . . . 10.0 112.714 -179.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -54.61 -61.36 5.78 Favored Pre-proline 0 C--O 1.236 0.39 0 N-CA-C 112.136 0.421 . . . . 10.0 112.136 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -64.64 -35.27 48.05 Favored 'Trans proline' 0 C--N 1.358 1.047 0 C-N-CA 121.854 1.703 . . . . 10.0 111.88 179.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -62.2 -50.92 69.86 Favored 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 110.145 -0.317 . . . . 10.0 110.145 179.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 81.0 mt -63.32 -40.68 98.01 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 110.022 -0.362 . . . . 10.0 110.022 179.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.87 -53.38 58.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.14 0.495 . . . . 10.0 110.049 178.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -65.19 -35.99 82.8 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.715 -0.675 . . . . 10.0 111.084 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 11.3 mt -61.72 -46.35 90.01 Favored 'General case' 0 C--O 1.221 -0.42 0 N-CA-C 109.402 -0.592 . . . . 10.0 109.402 178.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 570' ' ' ARG . . . . . 0.461 ' O ' ' HG ' ' D' ' 574' ' ' LEU . 64.9 mtt180 -65.64 -43.32 89.82 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.472 179.433 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -70.82 -15.38 62.65 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.38 -0.373 . . . . 10.0 111.092 179.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -98.19 -38.71 3.96 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.854 -0.689 . . . . 10.0 111.664 179.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 65.0 mt -65.53 -34.42 78.21 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.017 -0.091 . . . . 10.0 111.179 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 574' ' ' LEU . . . . . 0.527 ' O ' ' HG2' ' D' ' 578' ' ' GLU . 76.7 mt -54.68 -63.23 3.03 Favored Pre-proline 0 CA--C 1.535 0.388 0 N-CA-C 112.14 0.422 . . . . 10.0 112.14 179.534 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -62.49 -35.05 73.69 Favored 'Trans proline' 0 C--N 1.356 0.939 0 C-N-CA 121.677 1.585 . . . . 10.0 111.476 179.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 20.7 t -63.28 -45.97 96.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.442 -0.344 . . . . 10.0 110.274 179.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 577' ' ' LEU . . . . . 0.423 ' O ' ' HG3' ' D' ' 581' ' ' LYS . 55.5 mt -62.37 -42.02 99.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.517 -0.31 . . . . 10.0 110.208 179.27 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 578' ' ' GLU . . . . . 0.527 ' HG2' ' O ' ' D' ' 574' ' ' LEU . 8.3 mm-40 -62.86 -44.7 95.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 10.0 109.817 179.074 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 45.2 m -63.64 -39.89 95.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.895 -0.593 . . . . 10.0 109.813 178.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -63.83 -35.82 81.87 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 115.826 -0.625 . . . . 10.0 110.625 179.02 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 581' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' D' ' 577' ' ' LEU . 90.8 mttt -65.26 -40.91 94.57 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.728 -0.471 . . . . 10.0 109.728 178.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 90.7 t -61.34 -43.18 96.14 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.292 179.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.84 -39.56 69.67 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.126 179.754 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -67.53 -45.93 74.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.696 -0.229 . . . . 10.0 111.156 179.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 13.0 mt -57.04 -46.23 82.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.464 -0.335 . . . . 10.0 110.649 179.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 8.7 p -69.97 -38.61 76.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.219 -0.446 . . . . 10.0 111.13 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -63.94 -55.66 20.92 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.342 -0.39 . . . . 10.0 110.613 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 88.0 mt -60.53 -38.11 83.37 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 123.238 0.336 . . . . 10.0 111.84 -179.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -66.4 -54.48 23.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.955 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -64.65 -32.88 74.73 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.103 -0.498 . . . . 10.0 111.755 -179.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -63.99 -41.25 97.56 Favored 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 109.745 -0.465 . . . . 10.0 109.745 178.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 46.5 m -67.27 -29.34 68.92 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.192 0.52 . . . . 10.0 110.23 179.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -74.33 -48.38 28.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.977 -0.556 . . . . 10.0 111.256 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 594' ' ' LYS . . . . . 0.881 ' HG2' ' HB2' ' A' ' 388' ' ' SER . 10.6 mptt -73.85 -34.23 64.42 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.254 -0.43 . . . . 10.0 111.941 -179.186 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 36.4 mt -106.25 54.65 0.68 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.041 0.448 . . . . 10.0 110.298 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 . . . . . 0 C--N 1.323 -0.583 0 CA-C-N 115.98 -0.555 . . . . 10.0 111.24 -179.661 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 2.3 m . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.864 0.364 . . . . 10.0 110.38 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . 0.543 ' HB ' ' CE2' ' B' ' 4' ' ' TYR . 0.3 OUTLIER -94.42 124.29 38.35 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.523 -0.308 . . . . 10.0 110.785 -179.652 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -89.99 138.76 31.23 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.015 -0.735 . . . . 10.0 109.015 178.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' TYR . . . . . 0.543 ' CE2' ' HB ' ' B' ' 2' ' ' THR . 98.4 m-85 -129.36 117.71 21.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 123.239 0.337 . . . . 10.0 110.595 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.499 ' HA ' ' HB3' ' B' ' 54' ' ' ASP . 31.8 mttm -81.95 106.9 14.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.114 0.483 . . . . 10.0 110.879 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.525 ' O ' ' HA ' ' B' ' 55' ' ' ILE . 12.4 mt -110.11 121.84 46.2 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.634 -0.712 . . . . 10.0 110.621 -179.345 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 49.0 t -109.81 124.77 66.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 120.715 0.293 . . . . 10.0 110.564 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.63 HG12 ' HD2' ' B' ' 16' ' ' LYS . 22.4 t -88.29 121.22 38.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.141 -0.689 . . . . 10.0 109.141 179.508 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 31.7 m -122.52 156.77 27.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.292 -0.413 . . . . 10.0 111.176 -178.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 147.59 177.43 22.02 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.854 -0.688 . . . . 10.0 112.039 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.81 -175.21 0.85 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.392 0.615 . . . . 10.0 112.054 -179.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.639 ' HA ' ' O1B' ' B' ' 201' ' ' GSP . 2.7 p-10 -92.19 146.69 23.52 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.85 -0.614 . . . . 10.0 111.649 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . 0.96 ' HA2' H5'1 ' B' ' 201' ' ' GSP . . . 65.51 25.64 71.53 Favored Glycine 0 CA--C 1.523 0.565 0 CA-C-N 115.497 -0.774 . . . . 10.0 113.953 179.601 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 27.8 m -95.27 -22.16 5.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 117.338 0.569 . . . . 10.0 112.067 -179.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . 0.617 ' HA2' ' H8 ' ' B' ' 201' ' ' GSP . . . 121.28 13.64 5.25 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.838 -0.696 . . . . 10.0 113.197 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.63 ' HD2' HG12 ' B' ' 8' ' ' VAL . 24.3 mtmm -59.95 -47.32 86.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.082 0.468 . . . . 10.0 111.182 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . 0.445 ' HB2' ' PA ' ' B' ' 201' ' ' GSP . 1.0 OUTLIER -72.24 -39.41 68.49 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.015 -179.741 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.61 -55.18 37.68 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.942 -0.572 . . . . 10.0 112.177 -179.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.526 HD23 ' HB2' ' B' ' 146' ' ' ALA . 38.5 mt -57.97 -47.88 81.64 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.015 0.376 . . . . 10.0 112.015 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 19.4 m -61.68 -47.16 86.59 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.62 -179.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 87.6 mt -65.21 -32.36 57.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.813 0.34 . . . . 10.0 110.83 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . 0.721 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 0.4 OUTLIER -66.12 -32.69 74.29 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-O 121.052 0.454 . . . . 10.0 110.508 179.081 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 13.4 tp -77.95 -31.73 51.05 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.786 -0.366 . . . . 10.0 111.303 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 34.8 mm -89.6 -61.39 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 112.786 0.661 . . . . 10.0 112.786 -178.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . 0.518 ' HB2' ' HD2' ' B' ' 27' ' ' HIS . 53.2 mt-30 -85.12 -13.94 48.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.758 0.313 . . . . 10.0 111.799 -178.601 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . 0.721 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 1.1 t-20 60.79 45.69 9.67 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 112.935 0.717 . . . . 10.0 112.935 178.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . 0.518 ' HD2' ' HB2' ' B' ' 25' ' ' GLN . 2.1 p80 -150.5 157.88 43.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.54 -0.3 . . . . 10.0 110.942 179.478 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -91.94 120.84 32.98 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.619 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.402 HG22 ' H ' ' B' ' 29' ' ' VAL . 0.8 OUTLIER -84.26 122.89 38.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.425 -0.352 . . . . 10.0 110.285 179.392 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -86.83 -33.35 19.87 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.345 -179.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -84.93 148.53 26.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.28 -0.418 . . . . 10.0 110.076 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . 0.894 ' CD1' H5'2 ' B' ' 201' ' ' GSP . 14.9 t80 -93.36 127.34 38.93 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.904 0.383 . . . . 10.0 110.581 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . 0.42 ' HA ' ' HD3' ' B' ' 34' ' ' PRO . 16.2 t70 -119.78 111.55 35.86 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.393 -0.367 . . . . 10.0 111.149 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' B' ' 33' ' ' ASP . 24.8 Cg_exo -65.54 107.63 1.07 Allowed 'Trans proline' 0 N--CA 1.463 -0.272 0 C-N-CA 122.718 2.278 . . . . 10.0 109.648 178.698 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.452 ' OG1' ' O3G' ' B' ' 201' ' ' GSP . 1.3 m -84.46 135.91 34.06 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.333 -0.394 . . . . 10.0 111.861 -178.614 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 20.9 mm -95.38 -52.74 9.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 107.652 -1.24 . . . . 10.0 107.652 178.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -174.66 95.73 0.08 Allowed 'General case' 0 C--O 1.234 0.255 0 CA-C-N 114.7 -1.136 . . . . 10.0 108.979 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -114.45 148.76 37.3 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.655 -0.248 . . . . 10.0 110.502 -178.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -129.23 135.58 48.99 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.827 0.346 . . . . 10.0 111.638 -179.251 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -130.61 138.29 50.04 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.231 -0.44 . . . . 10.0 111.148 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.455 ' HA ' ' O ' ' B' ' 53' ' ' LEU . 0.9 OUTLIER -116.51 134.7 54.54 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.236 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 56.5 tttp -149.6 126.14 10.94 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.169 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -95.98 121.16 37.43 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.839 -0.619 . . . . 10.0 109.517 179.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -137.25 161.75 34.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.848 0.356 . . . . 10.0 110.852 -179.288 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 15.8 t -99.94 96.68 5.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.242 179.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 68.2 mt -104.14 123.99 58.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.556 -0.747 . . . . 10.0 110.58 -178.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . 0.771 ' HA ' ' HG3' ' C' ' 128' ' ' LYS . 31.6 m-20 59.93 20.63 9.63 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.865 -0.607 . . . . 10.0 112.072 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.89 0.17 66.54 Favored Glycine 0 N--CA 1.454 -0.158 0 C-N-CA 121.022 -0.609 . . . . 10.0 112.644 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -108.77 136.99 47.43 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.661 0.267 . . . . 10.0 110.807 -179.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 1.8 m -79.85 103.39 9.72 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.341 -0.985 . . . . 10.0 108.341 178.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 15.2 m -108.09 135.46 49.41 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 112.256 0.465 . . . . 10.0 112.256 -178.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 41.4 tp -99.72 108.32 20.62 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 107.651 -1.241 . . . . 10.0 107.651 178.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . 0.472 HD22 HD11 ' B' ' 6' ' ' LEU . 26.5 mt -82.58 124.41 30.12 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.89 0.7 . . . . 10.0 112.89 -177.754 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . 0.499 ' HB3' ' HA ' ' B' ' 5' ' ' LYS . 33.1 t70 -108.43 85.7 2.16 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 106.902 -1.518 . . . . 10.0 106.902 177.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' ILE . . . . . 0.525 ' HA ' ' O ' ' B' ' 6' ' ' LEU . 19.5 mt -92.2 139.09 18.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 113.131 0.789 . . . . 10.0 113.131 -177.095 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 16.3 tp -125.5 117.85 24.52 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.297 -0.865 . . . . 10.0 110.096 178.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -93.78 110.92 22.54 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 108.899 -0.778 . . . . 10.0 108.899 179.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 69.9 p -90.64 -173.25 3.68 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.572 0.582 . . . . 10.0 112.572 -178.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -99.82 155.3 17.72 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.854 -0.612 . . . . 10.0 111.215 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -115.85 11.78 17.94 Favored Glycine 0 N--CA 1.444 -0.816 0 N-CA-C 111.158 -0.777 . . . . 10.0 111.158 179.161 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -89.17 7.89 32.92 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.529 -0.336 . . . . 10.0 111.222 -179.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.402 ' HB3' ' H ' ' B' ' 63' ' ' GLU . 13.9 mm-40 59.81 -139.0 0.67 Allowed 'General case' 0 C--N 1.331 -0.236 0 O-C-N 123.571 0.545 . . . . 10.0 111.141 -179.21 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.402 ' H ' ' HB3' ' B' ' 62' ' ' GLU . 2.3 tm-20 73.51 -37.58 0.38 Allowed 'General case' 0 N--CA 1.467 0.394 0 O-C-N 123.401 0.438 . . . . 10.0 111.678 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -78.78 73.59 5.33 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.129 0.49 . . . . 10.0 111.623 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.61 -15.4 52.31 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.082 -0.508 . . . . 10.0 111.038 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -120.49 -33.18 3.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.049 -0.523 . . . . 10.0 111.842 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 28.8 ttp -67.7 -26.26 66.09 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.742 0.306 . . . . 10.0 111.378 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . 0.57 ' HA ' ' CZ ' ' B' ' 71' ' ' TYR . 1.1 ttp180 -59.05 -36.46 75.06 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.906 -0.588 . . . . 10.0 111.422 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -56.37 -35.11 67.31 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.68 -0.691 . . . . 10.0 111.903 -179.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -59.27 -58.18 9.77 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.244 0.461 . . . . 10.0 112.244 -178.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' TYR . . . . . 0.57 ' CZ ' ' HA ' ' B' ' 68' ' ' ARG . 0.5 OUTLIER -72.68 -24.89 61.08 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.88 0.696 . . . . 10.0 112.88 -178.861 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . 0.778 ' HA ' ' HZ ' ' B' ' 78' ' ' PHE . 36.2 mtt -70.29 -35.9 74.0 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.939 0.4 . . . . 10.0 111.03 179.368 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -80.83 -19.97 43.46 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.129 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 4.2 m -94.36 -42.6 8.81 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.492 0.553 . . . . 10.0 112.492 -179.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -67.75 140.47 36.68 Favored Glycine 0 C--N 1.333 0.399 0 C-N-CA 121.128 -0.558 . . . . 10.0 113.437 -179.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.408 ' HG3' ' HB2' ' B' ' 5' ' ' LYS . 27.4 mt-10 -91.14 -47.6 7.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.697 0.284 . . . . 10.0 110.543 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -113.67 137.94 14.53 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.921 -0.657 . . . . 10.0 111.728 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . 0.778 ' HZ ' ' HA ' ' B' ' 72' ' ' MET . 74.9 m-85 -112.92 122.8 48.71 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.286 0.565 . . . . 10.0 111.55 -179.451 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.627 HD13 HD22 ' B' ' 159' ' ' LEU . 17.7 tp -95.47 104.08 15.97 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.529 -0.76 . . . . 10.0 110.086 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.7 97.81 7.44 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.035 -0.529 . . . . 10.0 109.895 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 90.9 t -104.87 121.52 56.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.043 0.449 . . . . 10.0 110.921 -179.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' PHE . . . . . 0.792 ' HB2' ' HB2' ' B' ' 89' ' ' SER . 20.6 p90 -135.26 157.83 45.91 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.59 179.083 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -96.83 136.4 37.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.04 179.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 35.0 pt -75.44 -12.17 14.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 112.369 0.507 . . . . 10.0 112.369 -179.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 22.5 p-10 -94.19 4.03 54.45 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.848 0.356 . . . . 10.0 111.118 179.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -137.94 107.09 6.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.821 179.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 1.6 m -61.91 -29.75 70.43 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.962 -0.563 . . . . 10.0 111.802 -179.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -55.7 -47.78 76.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.449 -0.342 . . . . 10.0 111.098 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . 0.792 ' HB2' ' HB2' ' B' ' 82' ' ' PHE . 0.0 OUTLIER -61.03 -33.56 73.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 10.0 111.488 179.86 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -67.68 -47.82 68.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.258 -0.428 . . . . 10.0 111.004 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -70.01 -31.98 69.91 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.241 -0.436 . . . . 10.0 110.743 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . 0.593 ' HA ' ' HD2' ' B' ' 95' ' ' HIS . 30.7 m-20 -61.77 -27.07 68.48 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.945 -0.57 . . . . 10.0 111.446 179.58 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 93' ' ' ILE . . . . . 0.426 HG12 ' O ' ' B' ' 89' ' ' SER . 47.4 mm -57.11 -38.77 62.55 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-N 116.508 -0.315 . . . . 10.0 110.994 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -64.3 -46.5 83.3 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.543 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 95' ' ' HIS . . . . . 0.593 ' HD2' ' HA ' ' B' ' 92' ' ' ASP . 91.5 m-70 -61.28 -44.34 97.39 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.262 -179.693 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -63.4 -45.61 90.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.532 178.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 4.7 tmt_? -58.56 -50.08 75.08 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.956 -0.565 . . . . 10.0 111.918 -178.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 -62.0 -34.6 76.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.691 0.281 . . . . 10.0 111.386 -179.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -68.29 -41.86 80.32 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.471 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 96.7 mt -58.07 -45.77 88.27 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.585 179.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 38.4 mtmt -62.06 -32.85 73.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.297 -0.411 . . . . 10.0 110.954 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 13.2 ttm180 -76.63 -43.46 38.17 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.118 -0.492 . . . . 10.0 111.692 -179.075 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 99.9 t -70.29 -46.98 69.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.965 0.412 . . . . 10.0 111.939 -179.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . 0.414 ' HD2' ' HE2' ' B' ' 78' ' ' PHE . 27.4 mtpp -80.93 -16.03 54.66 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.487 -0.324 . . . . 10.0 111.858 -179.009 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 2.9 t70 57.54 60.77 2.71 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.685 0.755 . . . . 10.0 111.259 -179.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 8.4 t -157.44 145.65 19.19 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.424 -0.807 . . . . 10.0 110.133 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -96.01 -25.89 15.75 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.247 0.546 . . . . 10.0 110.071 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.87 79.84 1.38 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.773 -0.649 . . . . 10.0 110.823 -179.301 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 0.419 ' HA ' ' HD3' ' B' ' 110' ' ' PRO . 0.4 OUTLIER -110.36 133.33 21.13 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 116.205 -0.452 . . . . 10.0 111.457 -179.675 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 110' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 23.5 Cg_exo -64.7 124.22 12.87 Favored 'Trans proline' 0 C--O 1.236 0.384 0 C-N-CA 122.839 2.359 . . . . 10.0 111.987 179.493 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 16.7 mtm -151.13 153.21 34.58 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.524 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 85.3 t -135.77 126.93 44.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.002 -0.545 . . . . 10.0 109.804 179.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 19.2 tp -85.94 115.59 23.65 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.009 0.433 . . . . 10.0 110.103 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 114' ' ' VAL . . . . . 0.431 HG21 HD11 ' B' ' 79' ' ' LEU . 57.2 t -117.61 125.31 74.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.218 0.532 . . . . 10.0 112.001 -178.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -105.28 119.72 6.26 Favored Glycine 0 N--CA 1.445 -0.745 0 N-CA-C 110.429 -1.069 . . . . 10.0 110.429 178.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 116' ' ' ASN . . . . . 0.591 HD22 ' HA3' ' B' ' 15' ' ' GLY . 63.7 t30 -102.47 166.82 10.33 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.63 0.215 . . . . 10.0 111.146 -179.186 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . 0.526 ' HE2' ' C4 ' ' B' ' 201' ' ' GSP . 91.7 mttt 65.51 32.29 9.54 Favored 'General case' 0 N--CA 1.463 0.189 0 O-C-N 123.746 0.654 . . . . 10.0 111.273 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 54.5 m -69.27 -14.02 62.72 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.866 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -84.13 -3.73 58.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.372 -0.376 . . . . 10.0 110.915 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' B' ' 120' ' ' LEU . 8.9 mt -92.51 130.48 37.11 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.052 179.406 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -75.58 175.02 11.83 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.921 2.414 . . . . 10.0 111.474 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 19.8 m 58.77 52.85 6.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.079 -0.509 . . . . 10.0 110.959 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 123' ' ' ARG . . . . . 0.589 ' HD3' ' O ' ' B' ' 125' ' ' VAL . 5.0 ptp180 -69.56 137.23 52.23 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.055 -0.52 . . . . 10.0 111.243 179.76 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.03 -30.92 17.43 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.137 0.494 . . . . 10.0 109.757 179.157 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 125' ' ' VAL . . . . . 0.589 ' O ' ' HD3' ' B' ' 123' ' ' ARG . 48.1 t -100.53 117.85 46.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.891 -0.595 . . . . 10.0 109.511 179.143 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . 0.54 ' OD2' ' HG2' ' B' ' 128' ' ' LYS . 6.8 t0 -75.1 142.79 43.62 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.175 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -56.83 -50.73 71.52 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.658 -179.545 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 128' ' ' LYS . . . . . 0.617 ' HB2' ' HA ' ' C' ' 47' ' ' ASP . 15.5 pttm -63.55 -33.56 75.86 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 113.509 0.929 . . . . 10.0 113.509 -177.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . 0.529 ' HG2' ' O ' ' B' ' 126' ' ' ASP . 2.4 pt20 -68.19 -27.55 66.49 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.302 -0.559 . . . . 10.0 110.93 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -88.1 -32.8 18.51 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.42 -0.585 . . . . 10.0 109.42 178.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . 0.535 ' HB3' ' CZ ' ' C' ' 161' ' ' ARG . 87.0 mt-30 -63.43 -52.46 61.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.267 -0.878 . . . . 10.0 112.015 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . 0.688 ' HB2' ' HB3' ' C' ' 47' ' ' ASP . 27.6 t0 -62.52 -35.42 79.33 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.957 0.408 . . . . 10.0 110.939 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 27.7 tp -62.06 -46.03 90.94 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.02 179.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.82 -36.18 82.78 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 115.888 -0.596 . . . . 10.0 110.075 179.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 135' ' ' ARG . . . . . 0.736 ' HG3' ' HB3' ' C' ' 161' ' ' ARG . 6.5 tmm_? -62.26 -37.33 85.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.839 -0.619 . . . . 10.0 110.351 179.536 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 13.0 t -69.67 -12.2 61.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 10.0 111.453 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -106.33 -28.44 10.38 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.788 0.328 . . . . 10.0 110.869 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 101.33 -4.2 54.77 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.722 -0.752 . . . . 10.0 112.627 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 39.2 pt -82.54 152.49 67.0 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-O 120.585 0.231 . . . . 10.0 111.323 -179.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -80.37 156.85 22.4 Favored 'Trans proline' 0 C--O 1.239 0.563 0 C-N-CA 122.763 2.309 . . . . 10.0 111.823 179.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -143.57 131.43 21.53 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 115.901 -0.59 . . . . 10.0 110.463 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 12.2 tt -143.63 142.85 24.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.657 -179.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -78.56 135.37 37.28 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.485 -0.561 . . . . 10.0 109.485 179.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 16.8 p -136.01 143.31 44.69 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.32 0.581 . . . . 10.0 112.373 -178.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 1.7 m -133.48 101.49 5.17 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.127 -1.064 . . . . 10.0 108.127 178.367 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 146' ' ' ALA . . . . . 0.526 ' HB2' HD23 ' B' ' 19' ' ' LEU . . . -64.5 -29.8 70.84 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.717 0.636 . . . . 10.0 112.717 -178.342 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -61.08 -33.79 73.9 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.744 0.307 . . . . 10.0 111.265 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.28 -8.81 24.43 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.922 179.746 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 74.28 -7.97 1.55 Allowed 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 113.408 0.892 . . . . 10.0 113.408 179.256 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.88 138.07 42.21 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 121.634 -0.666 . . . . 10.0 112.13 -179.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 86.96 -29.18 5.17 Favored Glycine 0 CA--C 1.524 0.63 0 C-N-CA 121.125 -0.56 . . . . 10.0 113.777 179.02 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 36.8 t -55.03 -41.63 60.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 112.105 0.409 . . . . 10.0 112.105 -178.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.31 -53.88 41.89 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.042 0.386 . . . . 10.0 112.042 -179.105 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -62.37 -32.77 73.62 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.731 0.641 . . . . 10.0 112.731 -178.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -56.92 -46.8 81.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.995 0.426 . . . . 10.0 110.421 179.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -74.61 -35.38 62.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.038 -0.528 . . . . 10.0 111.048 179.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -63.57 -44.53 93.85 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.499 179.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 28.7 m -67.44 -33.8 75.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.251 -0.432 . . . . 10.0 110.501 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 159' ' ' LEU . . . . . 0.627 HD22 HD13 ' B' ' 79' ' ' LEU . 44.9 tp -59.22 -45.99 89.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.274 179.35 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 84.1 t -73.32 -35.62 46.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.227 179.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -57.52 -40.77 79.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.46 -0.791 . . . . 10.0 110.745 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -66.63 -31.25 71.82 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.365 -0.379 . . . . 10.0 111.092 179.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 51.9 mt -74.12 -44.88 49.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-O 120.708 0.289 . . . . 10.0 110.638 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 164' ' ' ARG . . . . . 0.447 HH11 ' HD2' ' B' ' 164' ' ' ARG . 33.9 ttm105 -63.87 -38.35 90.77 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 109.085 -0.709 . . . . 10.0 109.085 179.072 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 26.4 ttmt -66.33 -43.69 85.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.363 -0.835 . . . . 10.0 109.308 178.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -54.04 -49.63 68.54 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-N 115.611 -0.722 . . . . 10.0 110.971 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -57.32 -48.01 80.07 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.466 -0.334 . . . . 10.0 111.653 -179.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -63.85 -47.56 80.22 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.482 179.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 13.3 mmmm -63.43 -32.43 73.87 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.806 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 14.4 mmt -79.5 -9.02 59.53 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.813 0.672 . . . . 10.0 112.813 -179.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 9.9 m -69.56 -34.46 74.2 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.301 0.572 . . . . 10.0 109.833 178.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 28.5 mtpt -107.2 -28.1 10.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.604 -0.726 . . . . 10.0 110.381 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 173' ' ' ASP . . . . . . . . . . . . 0.346 3.5 p30 52.66 -93.65 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 113.908 1.077 . . . . 10.0 113.908 -178.628 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . -126.77 -94.71 0.9 Allowed Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.698 -0.763 . . . . 10.0 112.649 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 175' ' ' LYS . . . . . 0.549 ' HG3' ' O4 ' ' C' ' 215' ' ' 17F . 20.2 tptp -143.22 175.88 9.55 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.906 -0.405 . . . . 10.0 109.906 -179.182 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 176' ' ' LYS . . . . . 0.615 ' O ' ' H61' ' B' ' 203' ' ' PCW . 29.4 mtpp 62.74 29.91 16.78 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 112.043 0.386 . . . . 10.0 112.043 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 177' ' ' LYS . . . . . 0.406 ' HD3' ' HA ' ' B' ' 177' ' ' LYS . 28.0 mmtp -114.63 -101.16 0.43 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.229 -0.441 . . . . 10.0 111.461 -179.69 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 53.4 tttm 53.34 75.23 0.26 Allowed 'General case' 0 N--CA 1.468 0.445 0 O-C-N 123.559 0.537 . . . . 10.0 109.976 -179.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 179' ' ' LYS . . . . . 0.439 ' H ' ' HG2' ' B' ' 179' ' ' LYS . 25.6 pttt -90.47 142.18 28.0 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.882 0.697 . . . . 10.0 112.882 -178.351 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -159.07 115.67 2.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.497 -0.774 . . . . 10.0 109.281 179.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -142.42 122.77 13.94 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 121.145 -0.222 . . . . 10.0 111.241 -179.206 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 29.6 tttm -125.16 90.27 3.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.002 0.43 . . . . 10.0 110.398 178.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 1.7 m -78.04 121.77 24.69 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.394 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 184' ' ' LYS . . . . . 0.68 ' H ' ' C7 ' ' A' ' 414' ' ' PCW . 54.0 mtpt . . . . . 0 C--N 1.326 -0.43 0 CA-C-O 120.626 0.25 . . . . 10.0 111.196 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 1' ' ' SER . . . . . 0.592 ' N ' ' HB ' ' C' ' 50' ' ' THR . 13.8 m . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.782 0.325 . . . . 10.0 110.971 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 2' ' ' THR . . . . . 0.508 ' HB ' ' CE2' ' C' ' 4' ' ' TYR . 0.2 OUTLIER -92.99 131.36 38.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.873 -179.712 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -98.62 135.81 39.61 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.288 -0.415 . . . . 10.0 110.734 -179.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 4' ' ' TYR . . . . . 0.508 ' CE2' ' HB ' ' C' ' 2' ' ' THR . 97.7 m-85 -132.53 116.49 16.8 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.56 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -88.19 117.96 27.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.892 0.377 . . . . 10.0 110.265 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . 0.607 ' O ' ' HA ' ' C' ' 55' ' ' ILE . 21.2 mt -116.04 132.52 56.63 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.945 -0.571 . . . . 10.0 110.801 -178.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . 0.533 HG11 ' CD2' ' C' ' 71' ' ' TYR . 39.4 t -124.02 130.54 73.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 N-CA-C 110.145 -0.317 . . . . 10.0 110.145 179.201 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.599 HG12 ' HB3' ' C' ' 79' ' ' LEU . 3.7 m -99.46 118.95 46.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.197 0.522 . . . . 10.0 111.661 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 15.9 m -108.02 150.44 10.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.111 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 157.03 -178.02 33.62 Favored Glycine 0 N--CA 1.445 -0.711 0 N-CA-C 111.124 -0.79 . . . . 10.0 111.124 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.63 -176.47 6.28 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.067 0.46 . . . . 10.0 110.698 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.28 139.65 30.78 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.348 -0.387 . . . . 10.0 110.508 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 13' ' ' GLY . . . . . 0.943 ' HA2' H5'1 ' C' ' 201' ' ' GSP . . . 91.24 7.89 65.05 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.66 -0.781 . . . . 10.0 112.69 179.582 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 35.6 m -88.4 -14.33 9.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.851 0.358 . . . . 10.0 110.819 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 95.12 28.14 10.2 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.928 -0.653 . . . . 10.0 112.989 179.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 1.4 mtmt -58.22 -40.85 82.73 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.037 0.384 . . . . 10.0 112.037 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 17' ' ' SER . . . . . 0.422 ' OG ' ' O3G' ' C' ' 201' ' ' GSP . 0.9 OUTLIER -79.39 -33.87 42.37 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.606 -0.27 . . . . 10.0 111.412 -179.354 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.18 -43.11 87.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 10.0 111.498 -179.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 19' ' ' LEU . . . . . 0.419 HD23 ' HB2' ' C' ' 146' ' ' ALA . 95.5 mt -63.02 -34.9 78.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 10.0 111.662 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -76.62 -46.12 27.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.449 -0.341 . . . . 10.0 111.147 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 81.5 mt -61.23 -35.99 69.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 10.0 111.283 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 22' ' ' GLN . . . . . 0.574 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 2.5 mm-40 -65.91 -16.47 63.89 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.736 0.303 . . . . 10.0 111.394 179.502 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 13.6 tp -103.4 -42.33 5.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.981 0.419 . . . . 10.0 110.784 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 49.6 mm -71.44 -52.61 25.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.833 -0.621 . . . . 10.0 112.067 -179.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -110.05 -1.71 17.42 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.109 0.48 . . . . 10.0 112.013 -179.149 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 26' ' ' ASN . . . . . 0.574 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 56.4 m-80 57.56 45.16 19.85 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 113.397 0.888 . . . . 10.0 113.397 178.494 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 8.0 p80 -151.25 166.47 30.8 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.559 0.219 . . . . 10.0 111.046 178.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -119.66 144.37 47.21 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.259 -0.428 . . . . 10.0 110.939 -179.042 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 4.3 m -111.4 121.27 63.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.805 -0.634 . . . . 10.0 109.926 179.084 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -77.82 -27.39 50.02 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.249 0.547 . . . . 10.0 110.7 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -80.71 136.76 36.23 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.695 -0.684 . . . . 10.0 110.594 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 32' ' ' TYR . . . . . 0.874 ' CD1' H5'2 ' C' ' 201' ' ' GSP . 50.2 t80 -65.82 142.67 57.87 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.846 -0.615 . . . . 10.0 110.142 179.446 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -142.09 101.81 5.76 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-O 120.712 0.291 . . . . 10.0 110.691 179.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -60.03 111.14 0.9 Allowed 'Trans proline' 0 C--O 1.233 0.26 0 C-N-CA 122.894 2.396 . . . . 10.0 111.889 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 35' ' ' THR . . . . . 0.443 ' OG1' ' O3G' ' C' ' 201' ' ' GSP . 1.3 m -93.64 119.06 32.18 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.61 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . 0.514 ' HA ' ' HB2' ' C' ' 59' ' ' ALA . 49.8 mm -90.0 -49.99 13.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 108.257 -1.016 . . . . 10.0 108.257 178.668 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 37' ' ' GLU . . . . . 0.833 ' HG2' HD11 ' C' ' 56' ' ' LEU . 6.6 tt0 -166.34 85.1 0.3 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.088 -0.96 . . . . 10.0 109.958 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -111.15 126.05 54.43 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.07 -0.344 . . . . 10.0 110.07 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 39' ' ' SER . . . . . 0.458 ' HB2' ' NH1' ' C' ' 41' ' ' ARG . 0.7 OUTLIER -110.29 138.69 46.33 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.025 0.441 . . . . 10.0 111.874 -179.65 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -127.05 140.94 51.93 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.095 -179.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . 0.494 ' HA ' ' O ' ' C' ' 53' ' ' LEU . 1.3 mpp_? -120.42 131.33 54.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.429 -0.35 . . . . 10.0 110.513 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 42' ' ' LYS . . . . . 0.467 ' HG2' HG13 ' C' ' 44' ' ' VAL . 55.1 tttp -144.77 126.08 14.79 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.92 0.39 . . . . 10.0 111.486 179.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -94.3 106.61 18.58 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.883 -0.599 . . . . 10.0 109.937 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 44' ' ' VAL . . . . . 0.467 HG13 ' HG2' ' C' ' 42' ' ' LYS . 4.4 m -125.05 163.43 25.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 121.009 0.433 . . . . 10.0 111.566 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 34.9 t -98.04 105.79 17.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.071 -0.513 . . . . 10.0 109.644 179.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 25.7 mt -112.07 119.88 61.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.509 -0.314 . . . . 10.0 110.744 -178.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 47' ' ' ASP . . . . . 0.688 ' HB3' ' HB2' ' B' ' 132' ' ' ASP . 6.6 m-20 63.0 20.66 12.44 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.511 -0.768 . . . . 10.0 111.632 179.576 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.82 -4.22 75.15 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.818 -0.706 . . . . 10.0 111.99 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -107.86 136.9 46.81 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 110.1 -0.333 . . . . 10.0 110.1 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 50' ' ' THR . . . . . 0.592 ' HB ' ' N ' ' C' ' 1' ' ' SER . 4.6 m -72.01 118.53 15.0 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.095 -0.705 . . . . 10.0 109.095 178.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 35.8 m -120.88 124.26 44.54 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.983 -179.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 56.4 tp -95.41 107.22 19.34 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.459 -0.941 . . . . 10.0 108.459 178.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . 0.494 ' O ' ' HA ' ' C' ' 41' ' ' ARG . 38.5 mt -83.03 122.18 27.99 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 112.513 0.56 . . . . 10.0 112.513 -178.264 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -110.57 80.55 1.32 Allowed 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 107.249 -1.389 . . . . 10.0 107.249 177.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 55' ' ' ILE . . . . . 0.607 ' HA ' ' O ' ' C' ' 6' ' ' LEU . 23.8 mt -89.76 138.15 19.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.836 -0.62 . . . . 10.0 112.504 -178.068 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . 0.833 HD11 ' HG2' ' C' ' 37' ' ' GLU . 32.8 tp -127.38 115.6 19.2 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.992 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -94.85 96.78 9.56 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.011 -0.737 . . . . 10.0 109.011 178.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.84 161.44 17.52 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.995 -0.548 . . . . 10.0 111.502 -179.597 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 59' ' ' ALA . . . . . 0.514 ' HB2' ' HA ' ' C' ' 36' ' ' ILE . . . -61.34 129.19 40.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.833 -0.621 . . . . 10.0 112.303 -179.541 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -112.0 32.77 6.12 Favored Glycine 0 N--CA 1.45 -0.405 0 CA-C-N 115.491 -0.777 . . . . 10.0 111.391 179.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.87 25.5 5.91 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.591 -0.304 . . . . 10.0 110.779 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 62' ' ' GLU . . . . . 0.479 ' HG3' ' H ' ' C' ' 63' ' ' GLU . 2.8 tp10 64.3 -161.14 0.29 Allowed 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.023 -0.535 . . . . 10.0 111.171 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 63' ' ' GLU . . . . . 0.479 ' H ' ' HG3' ' C' ' 62' ' ' GLU . 1.9 tm-20 72.76 -54.98 0.69 Allowed 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.149 0.58 . . . . 10.0 112.369 179.376 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 64' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -58.18 92.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.745 0.646 . . . . 10.0 112.745 -179.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 3.8 m -106.67 -25.53 11.73 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.796 -0.638 . . . . 10.0 109.915 179.14 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.4 -54.68 3.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.252 0.549 . . . . 10.0 111.06 179.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 67' ' ' MET . . . . . . . . . . . . . 23.0 ttt -61.7 -33.68 74.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.898 -0.592 . . . . 10.0 111.437 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 68' ' ' ARG . . . . . 0.777 ' HA ' ' CE1' ' C' ' 71' ' ' TYR . 16.3 ttp180 -63.4 -35.49 80.59 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.181 -0.463 . . . . 10.0 111.223 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -66.94 -38.85 86.93 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.542 -0.754 . . . . 10.0 110.933 -179.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -62.85 -54.56 36.9 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.744 0.646 . . . . 10.0 112.744 -178.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 71' ' ' TYR . . . . . 0.777 ' CE1' ' HA ' ' C' ' 68' ' ' ARG . 5.4 p90 -65.39 -27.96 68.92 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.653 0.612 . . . . 10.0 112.653 -178.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 72' ' ' MET . . . . . 0.437 ' HA ' ' CZ ' ' C' ' 78' ' ' PHE . 46.2 mtt -69.34 -21.91 63.79 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.114 0.483 . . . . 10.0 110.335 179.235 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 73' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' C' ' 73' ' ' ARG . 6.1 mtm180 -88.17 -12.38 44.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.971 -0.559 . . . . 10.0 110.017 178.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 2.4 m -101.98 -40.1 7.03 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.137 0.421 . . . . 10.0 112.137 -178.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -70.89 152.67 50.58 Favored Glycine 0 CA--C 1.519 0.3 0 C-N-CA 120.753 -0.737 . . . . 10.0 112.849 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -106.96 -51.34 2.94 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.731 0.301 . . . . 10.0 110.69 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -101.94 116.19 5.46 Favored Glycine 0 N--CA 1.441 -1.029 0 N-CA-C 111.13 -0.788 . . . . 10.0 111.13 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 78' ' ' PHE . . . . . 0.581 ' HB2' ' HG2' ' C' ' 111' ' ' MET . 96.5 m-85 -103.97 119.14 38.31 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.914 0.388 . . . . 10.0 111.42 -179.281 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . 0.599 ' HB3' HG12 ' C' ' 8' ' ' VAL . 11.2 tp -98.02 121.32 39.81 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.29 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 80' ' ' CYS . . . . . 0.711 ' HB3' HD12 ' C' ' 93' ' ' ILE . 27.4 m -87.93 98.29 11.41 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.989 -0.745 . . . . 10.0 108.989 179.183 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 21.9 t -98.31 115.89 39.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.022 -0.536 . . . . 10.0 111.417 -178.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 82' ' ' PHE . . . . . 0.583 ' HE2' ' HG ' ' C' ' 113' ' ' LEU . 50.4 p90 -128.4 161.82 28.57 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.577 -0.738 . . . . 10.0 109.894 179.23 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 83' ' ' ALA . . . . . 0.416 ' HB1' ' OD1' ' C' ' 85' ' ' ASN . . . -105.46 131.97 52.22 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.454 -0.339 . . . . 10.0 110.256 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 84' ' ' ILE . . . . . 0.599 HD12 ' HB3' ' C' ' 123' ' ' ARG . 18.8 pt -68.48 -9.69 11.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.521 -0.309 . . . . 10.0 111.735 -179.511 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 85' ' ' ASN . . . . . 0.416 ' OD1' ' HB1' ' C' ' 83' ' ' ALA . 22.2 p-10 -107.84 15.54 24.4 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.15 179.198 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -141.95 95.14 2.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.856 -0.611 . . . . 10.0 109.406 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.57 -32.13 70.07 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.064 -0.516 . . . . 10.0 112.19 -178.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -59.44 -47.55 85.05 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.343 -0.39 . . . . 10.0 111.668 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 89.8 p -60.58 -37.88 82.79 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.135 0.42 . . . . 10.0 112.135 -179.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -65.52 -42.59 91.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.934 0.397 . . . . 10.0 111.288 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -73.3 -29.46 62.72 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.391 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 92' ' ' ASP . . . . . 0.651 ' HA ' ' HD2' ' C' ' 95' ' ' HIS . 0.5 OUTLIER -66.58 -23.04 66.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.878 -0.601 . . . . 10.0 111.786 -179.753 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 93' ' ' ILE . . . . . 0.711 HD12 ' HB3' ' C' ' 80' ' ' CYS . 40.4 mm -57.99 -36.58 56.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.177 0.513 . . . . 10.0 110.175 179.215 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 17.8 t60 -61.97 -41.78 98.4 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.674 -0.694 . . . . 10.0 110.164 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 95' ' ' HIS . . . . . 0.651 ' HD2' ' HA ' ' C' ' 92' ' ' ASP . 77.3 m-70 -63.19 -44.95 93.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.493 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 96' ' ' TYR . . . . . 0.495 ' O ' HG13 ' C' ' 100' ' ' ILE . 12.9 m-85 -67.0 -42.41 85.05 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.934 -0.576 . . . . 10.0 110.808 -179.614 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -56.54 -48.57 76.98 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.282 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -65.02 -35.63 81.8 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.108 -0.496 . . . . 10.0 111.777 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 99' ' ' GLN . . . . . 0.441 ' O ' HG23 ' C' ' 103' ' ' VAL . 62.4 tt0 -66.26 -49.64 66.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.499 -0.318 . . . . 10.0 111.002 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 100' ' ' ILE . . . . . 0.495 HG13 ' O ' ' C' ' 96' ' ' TYR . 58.1 mt -54.8 -42.0 59.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 O-C-N 123.386 0.428 . . . . 10.0 110.866 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -62.86 -39.28 93.94 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.897 -0.592 . . . . 10.0 111.05 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 9.8 tmm_? -74.33 -40.71 62.02 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.22 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 103' ' ' VAL . . . . . 0.441 HG23 ' O ' ' C' ' 99' ' ' GLN . 61.1 t -56.58 -49.3 78.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.113 -0.494 . . . . 10.0 111.924 -179.47 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 13.1 mttp -97.26 -1.73 44.17 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.708 -0.397 . . . . 10.0 111.823 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 32.3 t70 53.92 58.63 4.89 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.72 0.771 . . . . 10.0 111.087 -179.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 27.0 m -150.39 149.28 29.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.751 -0.659 . . . . 10.0 110.592 -179.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -92.52 -48.04 6.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.977 0.418 . . . . 10.0 110.988 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -79.97 92.98 5.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.053 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 109' ' ' VAL . . . . . 0.46 ' HA ' ' HD3' ' C' ' 110' ' ' PRO . 66.0 t -112.14 131.49 22.5 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 116.299 -0.41 . . . . 10.0 110.108 -179.48 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 110' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' C' ' 109' ' ' VAL . 16.9 Cg_exo -68.32 102.85 0.86 Allowed 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.676 2.251 . . . . 10.0 111.481 179.279 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 111' ' ' MET . . . . . 0.581 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 33.6 mtm -138.84 154.74 48.46 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.094 -0.503 . . . . 10.0 109.774 -179.624 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 112' ' ' VAL . . . . . 0.589 ' HB ' HD12 ' C' ' 79' ' ' LEU . 93.6 t -134.59 130.47 53.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 N-CA-C 109.273 -0.64 . . . . 10.0 109.273 178.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 113' ' ' LEU . . . . . 0.583 ' HG ' ' HE2' ' C' ' 82' ' ' PHE . 15.1 tp -84.42 117.79 23.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.924 0.392 . . . . 10.0 110.026 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 33.1 t -123.85 122.54 64.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.223 0.535 . . . . 10.0 111.451 -178.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -100.97 120.34 6.85 Favored Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 110.255 -1.138 . . . . 10.0 110.255 178.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -101.78 165.37 11.24 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.844 0.322 . . . . 10.0 111.424 -179.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 117' ' ' LYS . . . . . 0.57 ' HB3' HD12 ' C' ' 120' ' ' LEU . 98.8 mttt 66.92 30.39 7.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.698 -0.683 . . . . 10.0 111.905 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 118' ' ' CYS . . . . . 0.59 ' HA ' HD13 ' C' ' 84' ' ' ILE . 57.9 m -69.88 -8.1 45.75 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.88 0.696 . . . . 10.0 112.88 -179.619 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -94.03 1.31 56.24 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.928 0.394 . . . . 10.0 111.218 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 120' ' ' LEU . . . . . 0.57 HD12 ' HB3' ' C' ' 117' ' ' LYS . 30.6 mt -90.96 128.47 47.74 Favored Pre-proline 0 C--O 1.236 0.362 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.652 179.558 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -67.75 152.99 77.02 Favored 'Trans proline' 0 C--O 1.236 0.407 0 C-N-CA 122.365 2.044 . . . . 10.0 111.443 179.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 6.7 m 65.59 79.76 0.24 Allowed 'General case' 0 CA--C 1.529 0.171 0 O-C-N 123.758 0.661 . . . . 10.0 111.364 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 123' ' ' ARG . . . . . 0.599 ' HB3' HD12 ' C' ' 84' ' ' ILE . 4.0 ptp180 -93.51 139.01 31.21 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.983 -0.553 . . . . 10.0 111.224 -179.549 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 16.1 p -87.53 -32.96 19.12 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.02 0.438 . . . . 10.0 109.937 179.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 125' ' ' VAL . . . . . 0.548 ' O ' ' HD3' ' C' ' 123' ' ' ARG . 64.8 t -92.95 121.08 43.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-N 116.0 -0.546 . . . . 10.0 110.612 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 126' ' ' ASP . . . . . 0.539 ' O ' ' HG2' ' C' ' 129' ' ' GLN . 18.4 t0 -78.74 139.45 38.44 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.498 -0.774 . . . . 10.0 109.633 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.31 -37.37 82.98 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.324 0.583 . . . . 10.0 109.88 179.658 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 128' ' ' LYS . . . . . 0.771 ' HG3' ' HA ' ' B' ' 47' ' ' ASP . 0.5 OUTLIER -58.71 -46.45 87.3 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.097 -0.956 . . . . 10.0 111.786 -179.898 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 129' ' ' GLN . . . . . 0.539 ' HG2' ' O ' ' C' ' 126' ' ' ASP . 5.0 pt20 -68.41 -27.98 66.68 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.846 0.355 . . . . 10.0 111.527 -179.122 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -80.33 -44.94 18.66 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.006 0.431 . . . . 10.0 110.416 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -64.99 -42.7 94.28 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.967 -0.56 . . . . 10.0 111.041 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 132' ' ' ASP . . . . . 0.487 ' O ' ' HB3' ' C' ' 135' ' ' ARG . 22.4 t0 -68.64 -31.19 70.16 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.293 -0.412 . . . . 10.0 111.203 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 48.2 tp -67.77 -41.72 82.86 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.317 -0.623 . . . . 10.0 109.317 178.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -67.78 -26.37 66.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.337 -0.847 . . . . 10.0 109.693 179.042 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 135' ' ' ARG . . . . . 0.487 ' HB3' ' O ' ' C' ' 132' ' ' ASP . 6.8 tmm_? -61.27 -44.21 97.62 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.352 -0.84 . . . . 10.0 110.729 179.176 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -73.37 -22.36 60.3 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.984 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -83.06 -32.59 26.74 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.055 -0.521 . . . . 10.0 111.109 -179.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 93.19 11.11 58.93 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.744 -0.741 . . . . 10.0 112.121 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 41.4 pt -114.68 159.28 37.78 Favored Pre-proline 0 C--N 1.326 -0.446 0 N-CA-C 110.334 -0.247 . . . . 10.0 110.334 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -87.35 158.97 8.18 Favored 'Trans proline' 0 N--CA 1.46 -0.484 0 C-N-CA 122.488 2.125 . . . . 10.0 112.963 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -121.07 136.88 54.89 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.617 -0.719 . . . . 10.0 109.71 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 37.6 mt -131.21 137.13 56.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.738 -0.21 . . . . 10.0 111.329 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -89.52 134.44 34.11 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 108.437 -0.949 . . . . 10.0 108.437 178.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 21.7 p -131.19 171.15 13.63 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.959 0.725 . . . . 10.0 112.959 -178.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 14.4 t -168.74 117.85 0.7 Allowed 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 114.842 -1.072 . . . . 10.0 108.705 179.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 146' ' ' ALA . . . . . 0.513 ' HB1' ' HG3' ' C' ' 22' ' ' GLN . . . -79.55 -0.11 32.11 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.74 0.305 . . . . 10.0 111.276 179.525 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 5.5 ttmt -82.48 -53.08 6.27 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.542 -0.54 . . . . 10.0 109.542 179.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -87.92 -22.22 24.48 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.649 -0.501 . . . . 10.0 109.649 178.573 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 26.9 ttt-85 63.39 48.15 3.66 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.503 -0.772 . . . . 10.0 111.194 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -123.92 134.47 53.51 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.683 -0.69 . . . . 10.0 109.578 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 86.17 -19.88 24.3 Favored Glycine 0 C--N 1.329 0.171 0 C-N-CA 120.946 -0.645 . . . . 10.0 112.671 179.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 3.7 t -64.99 -41.61 92.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.095 0.474 . . . . 10.0 110.608 -179.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.31 -36.64 82.78 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.857 -0.61 . . . . 10.0 110.723 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.11 -39.26 93.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.009 -0.542 . . . . 10.0 110.371 179.35 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.32 -47.15 87.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.504 -0.771 . . . . 10.0 111.486 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -59.41 -47.53 85.1 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.74 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 21.7 m-30 -61.76 -44.31 97.14 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.977 -0.556 . . . . 10.0 111.481 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 29.5 m -61.21 -42.43 98.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 10.0 112.154 -179.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 159' ' ' LEU . . . . . . . . . . . . . 33.5 tp -60.99 -37.41 82.38 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.908 0.385 . . . . 10.0 111.2 -179.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 85.7 t -70.77 -42.39 77.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.913 -0.585 . . . . 10.0 111.035 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 161' ' ' ARG . . . . . 0.736 ' HB3' ' HG3' ' B' ' 135' ' ' ARG . 78.4 mtm-85 -65.16 -32.54 74.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.099 -0.501 . . . . 10.0 111.766 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -65.39 -31.96 73.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.989 0.423 . . . . 10.0 110.621 179.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 61.2 mt -67.58 -35.77 74.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.049 179.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 42.5 mtt85 -69.62 -19.0 63.65 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.052 -0.522 . . . . 10.0 111.272 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 165' ' ' LYS . . . . . 0.408 ' HA ' ' HB3' ' C' ' 168' ' ' GLU . 30.1 ttmt -75.65 -19.01 59.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 10.0 111.189 -179.648 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 166' ' ' HIS . . . . . 0.567 ' O ' ' HB2' ' C' ' 170' ' ' MET . 61.0 t60 -60.42 -45.82 92.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.19 0.519 . . . . 10.0 110.146 179.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 42.9 pttt -92.1 25.49 2.85 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.941 -0.572 . . . . 10.0 109.934 179.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 168' ' ' GLU . . . . . 0.408 ' HB3' ' HA ' ' C' ' 165' ' ' LYS . 2.9 tt0 -126.02 -54.88 1.49 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.445 -0.798 . . . . 10.0 110.704 -178.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 34.6 tttm -86.27 -43.86 12.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 10.0 111.901 -179.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 170' ' ' MET . . . . . 0.567 ' HB2' ' O ' ' C' ' 166' ' ' HIS . 36.1 mmm -64.09 -38.43 91.03 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.552 0.575 . . . . 10.0 112.552 -178.697 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.98 -28.96 70.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.371 -0.377 . . . . 10.0 111.708 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -92.32 -4.66 53.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.538 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 173' ' ' ASP . . . . . . . . . . . . . 32.0 t70 51.43 60.38 3.9 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.841 0.829 . . . . 10.0 110.098 -178.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . 94.11 -106.74 3.45 Favored Glycine 0 N--CA 1.442 -0.908 0 CA-C-N 115.249 -0.887 . . . . 10.0 111.057 -178.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 175' ' ' LYS . . . . . 0.458 ' HD3' ' HA ' ' C' ' 175' ' ' LYS . 0.0 OUTLIER -138.15 31.8 2.4 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.24 0.543 . . . . 10.0 109.555 179.786 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 176' ' ' LYS . . . . . 0.892 ' HE3' ' H62' ' C' ' 212' ' ' PCW . 7.5 tptp -83.02 90.0 6.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.834 -0.621 . . . . 10.0 111.678 -179.19 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 177' ' ' LYS . . . . . 0.415 ' HD2' ' HA ' ' C' ' 177' ' ' LYS . 47.3 tptt -150.69 142.15 23.43 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.9 -0.591 . . . . 10.0 109.95 179.213 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 178' ' ' LYS . . . . . 0.62 ' HG3' ' O1P' ' C' ' 207' ' ' PCW . 50.6 tttp -74.45 112.02 10.21 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.05 179.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 179' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -76.41 132.55 39.75 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.943 -0.571 . . . . 10.0 109.977 178.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 180' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -78.47 96.83 5.5 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.797 0.332 . . . . 10.0 110.91 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.6 134.1 36.45 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.89 -0.595 . . . . 10.0 110.545 179.561 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 182' ' ' LYS . . . . . 0.424 ' O ' ' H82' ' C' ' 210' ' ' PCW . 73.1 mmtt -79.53 170.8 16.04 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.35 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 183' ' ' THR . . . . . 0.642 ' HB ' ' H39' ' A' ' 412' ' ' PCW . 1.0 OUTLIER -101.71 -20.5 14.95 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.696 0.284 . . . . 10.0 111.23 179.912 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 184' ' ' LYS . . . . . 0.866 ' HD2' H321 ' A' ' 412' ' ' PCW . 20.9 mtpp . . . . . 0 C--N 1.331 -0.206 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.628 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 401' ' ' PCW . . . . . 1.036 H472 H271 ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 402' ' ' PCW . . . . . 0.832 H451 ' H47' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 403' ' ' PCW . . . . . 1.065 ' H31' ' H41' ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 404' ' ' PCW . . . . . 1.145 H351 ' O31' ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 405' ' ' PCW . . . . . 1.048 H361 H441 ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 406' ' ' PCW . . . . . 1.039 ' H51' H321 ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 407' ' ' PCW . . . . . 1.12 H212 ' C17' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 408' ' ' PCW . . . . . 0.856 H222 ' H54' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 409' ' ' PCW . . . . . 1.249 ' C19' H142 ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 410' ' ' PCW . . . . . 0.907 H351 ' C33' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 411' ' ' PCW . . . . . 1.087 ' H51' ' H1A' ' B' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 412' ' ' PCW . . . . . 0.866 H321 ' HD2' ' C' ' 184' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 413' ' ' PCW . . . . . 1.055 H442 H462 ' C' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 414' ' ' PCW . . . . . 1.13 H141 H182 ' A' ' 414' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 415' ' ' 17F . . . . . 1.1 ' H34' H232 ' A' ' 414' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 416' ' ' 17F . . . . . 0.812 ' H77' H472 ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 417' ' ' PCW . . . . . 0.89 H141 H341 ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 418' ' ' PCW . . . . . 1.065 H341 H132 ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 419' ' ' PCW . . . . . 1.018 ' C40' H441 ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 420' ' ' PCW . . . . . 1.077 H451 H211 ' D' ' 611' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 421' ' ' PCW . . . . . 1.106 H122 ' H11' ' D' ' 630' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 422' ' ' 17F . . . . . 1.082 ' H8A' ' H65' ' C' ' 218' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 601' ' ' PCW . . . . . 1.026 H432 H472 ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 602' ' ' PCW . . . . . 1.047 H283 ' HD2' ' D' ' 462' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 603' ' ' PCW . . . . . 1.049 H412 H371 ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 604' ' ' PCW . . . . . 1.028 H482 H282 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 605' ' ' PCW . . . . . 0.979 H182 H362 ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 606' ' ' PCW . . . . . 1.106 H252 ' H38' ' C' ' 218' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 607' ' ' PCW . . . . . 0.888 ' C1 ' H372 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 608' ' ' PCW . . . . . 1.098 H261 ' H62' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 609' ' ' PCW . . . . . 1.026 H462 H451 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 610' ' ' PCW . . . . . 0.765 ' C20' H241 ' D' ' 610' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 611' ' ' PCW . . . . . 1.077 H211 H451 ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 612' ' ' PCW . . . . . 1.063 ' H39' H462 ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 613' ' ' PCW . . . . . 1.065 H132 H341 ' A' ' 418' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 614' ' ' PCW . . . . . 1.118 H121 H382 ' D' ' 620' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 615' ' ' PCW . . . . . 0.976 H461 H421 ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 616' ' ' PCW . . . . . 0.973 ' C22' H232 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 617' ' ' PCW . . . . . 1.059 H232 H422 ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 618' ' ' PCW . . . . . 0.976 H431 ' C37' ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 619' ' ' PCW . . . . . 0.993 H261 H281 ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 620' ' ' PCW . . . . . 1.118 H382 H121 ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 621' ' ' PCW . . . . . 1.095 H461 H471 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 622' ' ' PCW . . . . . 1.053 ' C14' ' H6 ' ' A' ' 422' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 623' ' ' PCW . . . . . 1.101 ' C36' H322 ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 624' ' ' PCW . . . . . 1.017 ' C24' ' H20' ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 625' ' ' PCW . . . . . 1.045 H261 H421 ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 626' ' ' PCW . . . . . 1.062 H222 ' H42' ' D' ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 627' ' ' PCW . . . . . 1.15 ' H2 ' ' C4 ' ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 628' ' ' 17F . . . . . 1.01 ' H65' H462 ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 629' ' ' 17F . . . . . 1.098 ' H62' H261 ' D' ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 630' ' ' 17F . . . . . 1.106 ' H11' H122 ' A' ' 421' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 631' ' ' 17F . . . . . 0.874 ' H63' H371 ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 632' ' ' 17F . . . . . 1.06 ' H37' H283 ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 201' ' ' GSP . . . . . 0.96 H5'1 ' HA2' ' B' ' 13' ' ' GLY . . . . . . . . 0 O4'--C1' 1.438 2.026 2 O4'-C1'-N19 112.928 4.728 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 202' ' ' ' MG' . . . . . 0.643 'MG ' ' O3G' ' B' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 203' ' ' PCW . . . . . 0.856 H222 ' H56' ' B' ' 209' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 204' ' ' PCW . . . . . 0.968 H171 ' C21' ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 205' ' ' PCW . . . . . 1.075 ' C13' ' H41' ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 206' ' ' PCW . . . . . 1.067 H212 ' C32' ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 207' ' ' PCW . . . . . 1.106 ' C4 ' ' H31' ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 208' ' ' PCW . . . . . 1.077 H331 ' H20' ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 209' ' ' 17F . . . . . 1.006 ' H30' ' H61' ' A' ' 415' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 210' ' ' 17F . . . . . 1.037 ' H64' H281 ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 211' ' ' 17F . . . . . 1.087 ' H1A' ' H51' ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 201' ' ' GSP . . . . . 0.943 H5'1 ' HA2' ' C' ' 13' ' ' GLY . . . . . . . . 0 O4'--C1' 1.436 1.832 3 O4'-C1'-N19 113.278 5.078 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 202' ' ' ' MG' . . . . . 0.606 'MG ' ' O3G' ' C' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 203' ' ' PCW . . . . . 1.077 ' H20' H331 ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 204' ' ' PCW . . . . . 1.075 ' H41' ' C13' ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 205' ' ' PCW . . . . . 1.006 H151 ' C23' ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 206' ' ' PCW . . . . . 0.858 ' H20' H451 ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 207' ' ' PCW . . . . . 1.051 H351 H321 ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 208' ' ' PCW . . . . . 1.095 H471 H461 ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 209' ' ' PCW . . . . . 1.085 H171 ' H30' ' C' ' 214' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 210' ' ' PCW . . . . . 1.055 H462 H442 ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 211' ' ' PCW . . . . . 0.993 ' H51' ' H12' ' C' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 212' ' ' PCW . . . . . 1.06 H241 ' H20' ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 213' ' ' 17F . . . . . 0.975 ' H34' H372 ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 214' ' ' 17F . . . . . 1.085 ' H30' H171 ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 215' ' ' 17F . . . . . 1.053 ' H10' H421 ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 216' ' ' PCW . . . . . 0.837 H251 ' C40' ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 217' ' ' PCW . . . . . 1.02 H352 H222 ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 218' ' ' 17F . . . . . 1.106 ' H38' H252 ' D' ' 606' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 219' ' ' 17F . . . . . 1.062 ' H73' ' H46' ' C' ' 218' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' LEU . . . . . 0.519 ' HA ' HD12 ' A' ' 204' ' ' LEU . 94.6 mt . . . . . 0 CA--C 1.521 -0.144 0 CA-C-O 120.941 0.401 . . . . 10.0 110.572 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 7.1 tmtm? -63.29 -45.52 91.05 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.745 -0.662 . . . . 10.0 111.17 -179.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 73.2 mt -65.6 -39.16 91.26 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.648 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 204' ' ' LEU . . . . . 0.519 HD12 ' HA ' ' A' ' 201' ' ' LEU . 27.8 mt -63.97 -47.41 80.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.084 -0.507 . . . . 10.0 111.194 -179.696 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -62.55 -49.62 74.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.726 -0.67 . . . . 10.0 111.308 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -68.28 -27.65 66.51 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.768 -0.651 . . . . 10.0 112.243 -178.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 79.9 t90 -68.18 -35.07 77.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.121 -0.491 . . . . 10.0 109.935 179.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -61.71 -38.81 89.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.386 -0.37 . . . . 10.0 110.526 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 10.5 m -64.01 -30.43 71.5 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.857 179.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 46.3 t -76.05 -45.44 36.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 108.879 -0.785 . . . . 10.0 108.879 178.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 10.9 m -59.89 -42.62 94.2 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.358 -0.837 . . . . 10.0 111.786 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 2.8 p -63.22 -44.6 94.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.988 0.423 . . . . 10.0 109.926 179.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 29.6 m -63.42 -43.95 96.01 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.873 -0.603 . . . . 10.0 109.818 178.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 214' ' ' PHE . . . . . 0.96 ' HZ ' H162 ' A' ' 405' ' ' PCW . 0.1 OUTLIER -60.78 -38.35 84.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.693 179.359 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 21.7 m -65.67 -46.64 78.34 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.167 -0.469 . . . . 10.0 110.256 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -65.38 -37.38 86.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.184 179.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 31.6 mt -63.58 -42.21 98.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.049 -0.523 . . . . 10.0 109.89 178.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 218' ' ' ARG . . . . . 0.426 ' HA ' HD12 ' A' ' 221' ' ' LEU . 47.7 mtt85 -67.88 -32.3 72.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 10.0 111.157 179.597 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -71.36 -31.77 67.73 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.377 -0.601 . . . . 10.0 109.377 178.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -79.52 -29.78 41.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.798 -0.637 . . . . 10.0 109.605 178.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 221' ' ' LEU . . . . . 0.426 HD12 ' HA ' ' A' ' 218' ' ' ARG . 16.2 mt -55.06 -33.3 62.61 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-N 115.877 -0.602 . . . . 10.0 111.065 179.594 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -58.31 -69.69 1.2 Allowed Glycine 0 N--CA 1.45 -0.424 0 N-CA-C 110.699 -0.96 . . . . 10.0 110.699 178.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -52.25 -39.48 72.0 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.926 2.417 . . . . 10.0 111.364 178.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 8.8 t -56.82 -51.15 71.2 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 CA-C-O 120.82 0.343 . . . . 10.0 110.346 178.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . 0.409 ' O ' ' HB2' ' A' ' 229' ' ' TRP . 11.2 m -64.68 -39.67 94.07 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.513 -0.312 . . . . 10.0 110.299 179.674 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -62.14 -53.84 49.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.941 179.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -64.94 -43.02 94.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 10.0 111.472 -179.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 228' ' ' PHE . . . . . 0.408 ' O ' ' HG ' ' A' ' 232' ' ' LEU . 6.9 m-85 -65.1 -48.2 74.53 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.87 0.322 . . . . 10.0 111.87 179.676 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 229' ' ' TRP . . . . . 0.409 ' HB2' ' O ' ' A' ' 225' ' ' THR . 1.6 t-105 -65.71 -32.94 74.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.577 -0.283 . . . . 10.0 111.066 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -60.71 -45.4 94.36 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 178.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 231' ' ' ASN . . . . . 0.546 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 85.7 m-20 -71.37 -35.26 71.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.762 -0.654 . . . . 10.0 110.048 178.7 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 232' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 228' ' ' PHE . 51.4 mt -61.39 -41.77 97.66 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.67 -0.492 . . . . 10.0 109.67 178.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -64.26 -31.59 72.85 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.188 178.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 234' ' ' LYS . . . . . 0.546 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 74.1 mttt -71.15 -43.6 67.24 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.632 -0.507 . . . . 10.0 109.632 178.566 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -63.98 -45.83 87.33 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.117 179.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 10.3 p -66.52 -39.21 88.52 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.301 179.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 237' ' ' GLU . . . . . 0.78 ' HA ' ' HD2' ' A' ' 240' ' ' ARG . 33.4 tt0 -61.79 -44.68 96.39 Favored 'General case' 0 C--O 1.231 0.124 0 N-CA-C 109.457 -0.572 . . . . 10.0 109.457 178.438 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -60.05 -43.96 97.74 Favored Glycine 0 N--CA 1.445 -0.757 0 N-CA-C 109.923 -1.271 . . . . 10.0 109.923 178.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 239' ' ' LEU . . . . . 0.463 ' HA ' ' HB2' ' A' ' 242' ' ' GLU . 79.0 mt -66.43 -26.73 67.36 Favored 'General case' 0 C--O 1.224 -0.276 0 CA-C-N 115.638 -0.281 . . . . 10.0 110.794 178.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 240' ' ' ARG . . . . . 0.78 ' HD2' ' HA ' ' A' ' 237' ' ' GLU . 63.5 mtt180 -69.11 -45.62 69.74 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 108.58 -0.896 . . . . 10.0 108.58 178.356 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 241' ' ' GLN . . . . . 0.406 HE21 ' HG2' ' A' ' 237' ' ' GLU . 55.8 mt-30 -67.14 -41.75 85.58 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 108.667 -0.864 . . . . 10.0 108.667 178.038 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 242' ' ' GLU . . . . . 0.558 ' OE1' ' HB3' ' D' ' 528' ' ' ARG . 2.9 mt-10 -62.31 -38.99 91.55 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-N 114.98 -1.009 . . . . 10.0 111.002 179.3 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 3.2 mtm -58.1 -29.56 65.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.667 0.27 . . . . 10.0 110.875 179.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 1.9 m -70.62 -0.89 9.59 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-O 121.285 0.564 . . . . 10.0 110.759 179.113 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -131.11 -56.59 1.03 Allowed 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.36 -0.608 . . . . 10.0 109.36 178.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 246' ' ' ASP . . . . . 0.519 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 22.0 t0 -57.09 -37.72 72.31 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.671 -0.695 . . . . 10.0 111.631 -179.457 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 247' ' ' LEU . . . . . 0.636 ' O ' HG12 ' A' ' 250' ' ' VAL . 0.4 OUTLIER -99.49 -35.81 9.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 10.0 111.408 179.841 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -69.1 -43.19 74.96 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.738 -0.385 . . . . 10.0 111.686 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -73.18 -31.11 64.01 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 121.08 -0.248 . . . . 10.0 110.558 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 250' ' ' VAL . . . . . 0.669 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 1.6 p -63.78 -31.79 54.46 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.122 0 C-N-CA 120.485 -0.486 . . . . 10.0 109.888 179.111 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . 0.528 ' O ' HG12 ' A' ' 254' ' ' VAL . 66.0 mttt -82.17 -44.6 16.23 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.789 -0.641 . . . . 10.0 110.175 179.173 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -61.23 -43.71 98.43 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.388 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 24.9 mtpt -79.84 -18.41 50.85 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.918 -0.583 . . . . 10.0 111.851 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 254' ' ' VAL . . . . . 0.669 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.3 OUTLIER -66.28 -26.75 38.71 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 C-N-CA 120.686 -0.405 . . . . 10.0 110.215 179.461 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 255' ' ' GLN . . . . . 0.446 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 47.3 mt-30 -60.57 -61.53 7.77 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 115.801 -0.636 . . . . 10.0 111.382 179.66 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 256' ' ' PRO . . . . . 0.446 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 38.3 Cg_endo -67.88 -28.42 36.07 Favored 'Trans proline' 0 C--N 1.355 0.901 0 C-N-CA 121.724 1.616 . . . . 10.0 111.697 179.244 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 6.7 m-30 -66.42 -55.23 16.73 Favored 'General case' 0 N--CA 1.46 0.053 0 CA-C-O 121.019 0.437 . . . . 10.0 110.315 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 55.5 mt -69.18 -31.6 70.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.167 -0.47 . . . . 10.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -61.34 -43.92 98.05 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.748 -0.464 . . . . 10.0 109.748 179.062 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -66.06 -54.49 25.17 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.104 179.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -56.23 -40.59 74.35 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.629 -0.714 . . . . 10.0 111.948 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -61.85 -47.26 85.83 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.012 -0.366 . . . . 10.0 110.012 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 16.5 mtmt -66.39 -35.03 79.29 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 110.294 -0.262 . . . . 10.0 110.294 179.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 264' ' ' LYS . . . . . 0.602 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 28.1 mmtp -63.46 -56.83 12.99 Favored 'General case' 0 CA--C 1.518 -0.255 0 N-CA-C 109.048 -0.723 . . . . 10.0 109.048 178.496 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 83.4 m95 -61.08 -32.16 71.82 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.566 179.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -61.76 -54.27 44.71 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 109.335 -0.617 . . . . 10.0 109.335 178.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -60.85 -37.34 81.75 Favored 'General case' 0 N--CA 1.456 -0.139 0 CA-C-N 116.229 -0.441 . . . . 10.0 109.903 179.048 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 268' ' ' GLU . . . . . 0.46 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 15.1 mt-10 -59.66 -46.96 87.45 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.867 -0.606 . . . . 10.0 109.546 178.205 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 22.1 mmt -67.27 -40.89 86.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.746 -0.661 . . . . 10.0 110.227 179.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 270' ' ' GLU . . . . . 0.482 ' O ' ' HG3' ' A' ' 274' ' ' GLN . 1.7 mm-40 -57.29 -55.74 30.86 Favored 'General case' 0 CA--C 1.519 -0.231 0 N-CA-C 109.91 -0.404 . . . . 10.0 109.91 179.046 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 37.4 mt -59.4 -42.42 91.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.826 -0.624 . . . . 10.0 110.759 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 272' ' ' TYR . . . . . 0.539 ' O ' ' HB ' ' A' ' 276' ' ' VAL . 0.1 OUTLIER -68.13 -27.62 66.6 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.752 0.279 . . . . 10.0 111.752 -179.857 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 273' ' ' ARG . . . . . 0.536 ' O ' HG12 ' A' ' 276' ' ' VAL . 84.9 mtt180 -83.65 -33.06 25.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.894 0.378 . . . . 10.0 111.288 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 274' ' ' GLN . . . . . 0.482 ' HG3' ' O ' ' A' ' 270' ' ' GLU . 23.1 mt-30 -77.77 -27.04 50.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.321 0.581 . . . . 10.0 109.499 178.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 275' ' ' LYS . . . . . 0.773 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 53.2 mttp -91.15 -24.13 20.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.482 -0.781 . . . . 10.0 111.769 178.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 276' ' ' VAL . . . . . 0.539 ' HB ' ' O ' ' A' ' 272' ' ' TYR . 5.2 p -62.18 -30.38 48.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 O-C-N 122.085 -0.385 . . . . 10.0 110.893 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -62.52 -59.65 12.2 Favored Pre-proline 0 CA--C 1.535 0.368 0 CA-C-N 116.415 -0.357 . . . . 10.0 111.539 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 278' ' ' PRO . . . . . 0.424 ' O ' ' HG3' ' A' ' 282' ' ' GLU . 15.2 Cg_endo -62.11 -38.61 55.1 Favored 'Trans proline' 0 C--N 1.356 0.973 0 C-N-CA 121.689 1.592 . . . . 10.0 111.655 178.512 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 279' ' ' LEU . . . . . 0.773 ' HG ' ' O ' ' A' ' 275' ' ' LYS . 20.8 mt -60.74 -46.4 90.6 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.009 0.433 . . . . 10.0 110.383 179.62 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 -68.32 -31.95 71.74 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.076 -0.511 . . . . 10.0 109.858 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -65.5 -46.21 80.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.045 -0.525 . . . . 10.0 109.759 178.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 282' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' A' ' 278' ' ' PRO . 53.4 mt-10 -62.14 -44.55 96.38 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.367 -0.605 . . . . 10.0 109.367 178.498 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 34.8 mt -62.35 -44.2 97.03 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.381 -0.827 . . . . 10.0 110.866 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -66.3 -46.86 75.48 Favored 'General case' 0 C--O 1.234 0.249 0 O-C-N 123.063 0.227 . . . . 10.0 111.422 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -62.52 -48.42 79.63 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 109.544 -0.539 . . . . 10.0 109.544 179.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -61.04 -37.71 94.34 Favored Glycine 0 N--CA 1.447 -0.592 0 N-CA-C 111.097 -0.801 . . . . 10.0 111.097 178.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -62.35 -46.55 88.14 Favored 'General case' 0 CA--C 1.515 -0.376 0 N-CA-C 109.616 -0.513 . . . . 10.0 109.616 178.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 288' ' ' ARG . . . . . 0.431 ' O ' ' HB2' ' A' ' 292' ' ' HIS . 68.7 mtt180 -58.93 -47.52 84.77 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-O 121.034 0.445 . . . . 10.0 109.917 179.412 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.43 -54.64 43.2 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.186 -0.916 . . . . 10.0 110.937 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 65.0 mttt -63.4 -38.67 92.03 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.184 -0.462 . . . . 10.0 112.162 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 291' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 291' ' ' LEU . 17.3 mt -68.67 -42.69 77.52 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.095 -0.335 . . . . 10.0 110.095 179.118 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 292' ' ' HIS . . . . . 0.431 ' HB2' ' O ' ' A' ' 288' ' ' ARG . 0.2 OUTLIER -61.72 -40.35 94.74 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.479 -0.563 . . . . 10.0 109.479 178.783 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.07 -41.52 98.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.877 -0.601 . . . . 10.0 109.828 178.395 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 79.9 mt -67.2 -43.76 81.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.65 -0.705 . . . . 10.0 110.403 179.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -63.33 -33.83 76.37 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.16 0.505 . . . . 10.0 110.256 179.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -64.78 -15.06 61.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.505 -0.771 . . . . 10.0 110.587 178.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . 0.564 ' HB3' HD12 ' A' ' 301' ' ' LEU . 10.5 mmtp -109.65 -34.34 6.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.012 178.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 298' ' ' LEU . . . . . 0.479 ' O ' ' HA3' ' A' ' 302' ' ' GLY . 79.3 mt -63.6 -25.74 68.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.322 -0.399 . . . . 10.0 111.578 179.594 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 299' ' ' SER . . . . . 0.583 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 3.7 m -80.2 -67.49 0.23 Allowed Pre-proline 0 CA--C 1.536 0.417 0 N-CA-C 112.456 0.539 . . . . 10.0 112.456 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 300' ' ' PRO . . . . . 0.583 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 36.8 Cg_endo -65.95 -54.08 0.6 Allowed 'Trans proline' 0 C--N 1.359 1.084 0 C-N-CA 121.792 1.661 . . . . 10.0 112.26 -179.308 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 301' ' ' LEU . . . . . 0.564 HD12 ' HB3' ' A' ' 297' ' ' LYS . 94.4 mt -64.66 -29.05 70.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.947 0.404 . . . . 10.0 110.01 179.678 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 302' ' ' GLY . . . . . 0.479 ' HA3' ' O ' ' A' ' 298' ' ' LEU . . . -66.83 -53.28 28.17 Favored Glycine 0 N--CA 1.448 -0.516 0 N-CA-C 110.883 -0.887 . . . . 10.0 110.883 178.726 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 303' ' ' GLU . . . . . 0.425 ' HA ' ' HD2' ' A' ' 306' ' ' ARG . 20.7 mt-10 -64.75 -34.23 77.85 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.159 0.504 . . . . 10.0 109.685 178.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -62.16 -43.64 98.37 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.695 -0.854 . . . . 10.0 108.695 177.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 16.1 tpt -66.38 -38.75 88.22 Favored 'General case' 0 C--O 1.22 -0.46 0 CA-C-N 115.732 -0.667 . . . . 10.0 109.514 178.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 306' ' ' ARG . . . . . 0.425 ' HD2' ' HA ' ' A' ' 303' ' ' GLU . 95.1 mtt180 -61.84 -43.86 98.0 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.139 179.271 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 307' ' ' ASP . . . . . 0.63 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 13.7 t70 -69.32 -43.85 72.9 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 116.059 -0.518 . . . . 10.0 110.592 179.682 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 308' ' ' ARG . . . . . 0.464 ' HA ' ' HD3' ' A' ' 308' ' ' ARG . 15.3 mmt180 -63.08 -35.76 81.34 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.735 -0.468 . . . . 10.0 109.735 178.214 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 309' ' ' ALA . . . . . 0.43 ' O ' HG23 ' A' ' 313' ' ' VAL . . . -65.99 -35.69 81.25 Favored 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 108.92 -0.77 . . . . 10.0 108.92 178.051 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 310' ' ' ARG . . . . . 0.63 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 78.4 mtt180 -58.63 -52.19 66.73 Favored 'General case' 0 CA--C 1.518 -0.251 0 N-CA-C 108.509 -0.923 . . . . 10.0 108.509 178.214 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -63.89 -38.65 91.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.599 -0.728 . . . . 10.0 110.348 179.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -56.13 -50.62 70.58 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.875 179.518 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 313' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 309' ' ' ALA . 9.7 t -78.82 -34.02 16.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.383 -179.483 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -60.35 -49.3 78.12 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 109.908 -0.405 . . . . 10.0 109.908 178.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -64.22 -31.53 72.76 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 109.31 -0.626 . . . . 10.0 109.31 178.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 10.7 mt -68.56 -47.0 67.97 Favored 'General case' 0 C--O 1.219 -0.545 0 CA-C-N 115.68 -0.691 . . . . 10.0 109.945 178.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 31.4 mtt85 -61.75 -40.38 94.91 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.789 0.328 . . . . 10.0 110.131 179.366 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 27.8 m -63.24 -26.98 69.04 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.679 -0.692 . . . . 10.0 110.549 179.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 14.4 m80 -91.74 -42.43 10.14 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.314 179.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . 0.465 ' HA ' ' HB2' ' A' ' 323' ' ' TYR . 89.2 mt -62.56 -28.9 70.19 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.354 0.501 . . . . 10.0 112.354 -179.502 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 321' ' ' ALA . . . . . 0.403 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -57.56 -63.24 3.99 Favored Pre-proline 0 C--O 1.237 0.41 0 N-CA-C 111.528 0.196 . . . . 10.0 111.528 179.263 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . 0.403 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 29.9 Cg_endo -66.43 -32.53 40.15 Favored 'Trans proline' 0 C--N 1.356 0.958 0 C-N-CA 121.306 1.337 . . . . 10.0 110.999 178.25 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 323' ' ' TYR . . . . . 0.465 ' HB2' ' HA ' ' A' ' 320' ' ' LEU . 3.1 m-85 -59.27 -51.14 71.23 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.315 -0.402 . . . . 10.0 111.094 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 34.1 p -68.69 -39.43 80.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.42 -0.354 . . . . 10.0 110.972 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 325' ' ' ASP . . . . . 0.499 ' HA ' ' HD2' ' A' ' 328' ' ' ARG . 12.7 t70 -62.02 -40.97 97.51 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.917 0.389 . . . . 10.0 110.374 179.354 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -69.3 -35.61 76.17 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.223 -0.658 . . . . 10.0 109.223 178.024 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 28.7 mt -62.81 -35.68 80.67 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.493 -0.558 . . . . 10.0 109.493 178.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 328' ' ' ARG . . . . . 0.499 ' HD2' ' HA ' ' A' ' 325' ' ' ASP . 65.7 mtt180 -61.98 -42.69 99.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.675 -0.693 . . . . 10.0 109.591 178.678 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -66.48 -42.97 86.68 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.921 -0.77 . . . . 10.0 108.921 178.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 330' ' ' ARG . . . . . 0.586 HH21 ' HB3' ' D' ' 447' ' ' GLU . 22.0 mtt-85 -59.83 -47.81 84.22 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.126 -0.943 . . . . 10.0 110.154 178.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 79.7 mt -63.7 -39.37 94.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.54 179.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -62.68 -40.06 95.91 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.995 -0.372 . . . . 10.0 109.995 179.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -72.07 -42.94 65.62 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.95 -0.568 . . . . 10.0 110.017 178.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 334' ' ' ARG . . . . . 0.53 ' HD3' ' OE1' ' D' ' 440' ' ' GLU . 18.9 mmt180 -60.17 -49.58 77.05 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 115.95 -0.568 . . . . 10.0 109.769 178.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 79.4 mt -64.29 -33.66 76.33 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.695 -0.684 . . . . 10.0 110.751 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -66.02 -48.66 70.39 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.597 -0.52 . . . . 10.0 109.597 178.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -61.41 -41.66 97.51 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.093 -0.706 . . . . 10.0 109.093 178.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 34.7 mt -64.32 -33.12 75.1 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-N 115.662 -0.699 . . . . 10.0 111.003 178.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 45.6 mttt -78.04 -44.79 25.44 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.755 -0.202 . . . . 10.0 110.797 179.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -62.24 -54.63 38.03 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.042 -0.527 . . . . 10.0 110.46 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -72.44 -32.33 66.2 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.966 -0.561 . . . . 10.0 109.938 179.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -62.94 -46.07 94.33 Favored Glycine 0 CA--C 1.507 -0.468 0 N-CA-C 111.56 -0.616 . . . . 10.0 111.56 179.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -60.63 -35.74 90.08 Favored Glycine 0 N--CA 1.452 -0.297 0 N-CA-C 110.755 -0.938 . . . . 10.0 110.755 178.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -69.24 -45.2 70.35 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.004 -0.739 . . . . 10.0 109.004 178.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 31.0 mtm180 -61.3 -39.59 91.02 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 115.788 -0.642 . . . . 10.0 110.283 179.027 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 43.5 mt -61.65 -50.44 72.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 10.0 109.852 178.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.13 -42.43 98.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.331 179.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 348' ' ' GLU . . . . . 0.451 ' HB3' ' HE2' ' A' ' 352' ' ' LYS . 17.3 mt-10 -66.61 -46.65 75.18 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.99 179.469 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -60.9 -37.35 81.91 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.88 179.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -62.96 -43.11 99.7 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.569 -0.53 . . . . 10.0 109.569 178.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . 0.423 ' O ' ' HG2' ' A' ' 355' ' ' GLU . . . -64.83 -47.5 77.77 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.796 -0.638 . . . . 10.0 109.733 178.706 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 352' ' ' LYS . . . . . 0.451 ' HE2' ' HB3' ' A' ' 348' ' ' GLU . 21.4 mttm -60.67 -38.52 85.2 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.712 -0.676 . . . . 10.0 110.719 179.269 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.41 -39.35 85.52 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.236 -0.438 . . . . 10.0 109.843 179.044 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 93.8 m -64.95 -43.19 93.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.134 179.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 355' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 351' ' ' ALA . 12.2 mm-40 -62.17 -37.02 83.65 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 108.948 -0.76 . . . . 10.0 108.948 178.44 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -68.01 -33.13 74.03 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 115.185 -0.916 . . . . 10.0 109.33 178.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 74.7 mt -70.67 -39.88 73.3 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.266 178.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 15.6 m -59.65 -43.74 93.78 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 121.153 0.501 . . . . 10.0 109.784 178.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 359' ' ' THR . . . . . 0.4 ' O ' ' HB2' ' A' ' 362' ' ' GLU . 1.1 p -76.87 -28.41 55.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.806 -0.633 . . . . 10.0 110.502 179.256 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 360' ' ' LEU . . . . . 0.456 HD12 ' HD2' ' A' ' 363' ' ' LYS . 43.0 tp -66.03 -30.42 70.95 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 108.911 -0.774 . . . . 10.0 108.911 178.33 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 14.9 m -65.49 -29.48 70.14 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.564 -0.744 . . . . 10.0 109.385 178.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 362' ' ' GLU . . . . . 0.59 ' OE2' ' HE3' ' D' ' 414' ' ' LYS . 5.0 mm-40 -70.71 -20.42 62.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.742 -0.663 . . . . 10.0 109.837 178.543 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 363' ' ' LYS . . . . . 0.66 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 79.7 mttt -94.71 -39.08 10.49 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.493 -0.776 . . . . 10.0 109.675 179.633 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -74.35 -24.94 59.25 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.759 -0.655 . . . . 10.0 112.528 -179.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 365' ' ' LYS . . . . . 0.964 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 82.7 mttt -110.26 -76.96 0.01 OUTLIER Pre-proline 0 CA--C 1.538 0.495 0 N-CA-C 112.859 0.688 . . . . 10.0 112.859 179.544 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 366' ' ' PRO . . . . . 0.964 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 45.1 Cg_exo -57.18 -49.7 13.33 Favored 'Trans proline' 0 C--N 1.357 1.014 0 C-N-CA 121.972 1.781 . . . . 10.0 113.522 -179.289 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 367' ' ' ALA . . . . . 0.66 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -63.11 -54.09 43.29 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.626 0.232 . . . . 10.0 111.626 179.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 11.9 mt -58.19 -40.1 80.65 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 111.696 0.258 . . . . 10.0 111.696 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 56.8 tt0 -64.73 -51.12 64.06 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.98 -0.378 . . . . 10.0 109.98 179.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -59.12 -36.7 75.66 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.088 0.471 . . . . 10.0 109.743 179.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 61.3 mt -63.07 -52.8 61.32 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.752 -0.658 . . . . 10.0 109.867 178.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -62.27 -41.23 98.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.051 -0.522 . . . . 10.0 111.447 -179.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -62.06 -31.11 71.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.947 0.403 . . . . 10.0 110.972 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -89.66 -32.75 9.8 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.699 -0.762 . . . . 10.0 111.596 179.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 20.7 mt -68.0 -35.41 78.27 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.785 0.291 . . . . 10.0 111.785 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 376' ' ' LEU . . . . . 0.534 ' O ' ' HG3' ' A' ' 380' ' ' GLU . 31.4 mt -52.35 -61.02 5.07 Favored Pre-proline 0 CA--C 1.535 0.4 0 N-CA-C 112.075 0.398 . . . . 10.0 112.075 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -61.66 -35.71 79.03 Favored 'Trans proline' 0 C--N 1.359 1.093 0 C-N-CA 121.71 1.607 . . . . 10.0 111.872 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 35.8 t -61.69 -45.15 99.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 N-CA-C 109.85 -0.426 . . . . 10.0 109.85 179.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 87.4 mt -62.42 -35.4 79.13 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 115.965 -0.562 . . . . 10.0 109.929 178.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 380' ' ' GLU . . . . . 0.534 ' HG3' ' O ' ' A' ' 376' ' ' LEU . 94.7 mt-10 -63.15 -47.51 82.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.029 179.163 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.38 -32.24 73.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.211 0.529 . . . . 10.0 110.03 179.036 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -64.3 -43.17 95.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.533 -0.758 . . . . 10.0 109.669 178.644 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -62.62 -40.49 97.13 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.187 179.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 384' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 380' ' ' GLU . 84.2 t -62.97 -48.03 89.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.786 179.499 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 2.5 p -68.88 -33.83 74.42 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.405 -0.361 . . . . 10.0 111.259 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 386' ' ' PHE . . . . . 0.714 ' HZ ' ' H76' ' A' ' 415' ' ' 17F . 3.0 m-85 -71.0 -44.56 65.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.591 -0.277 . . . . 10.0 111.056 179.368 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 387' ' ' LEU . . . . . 0.532 ' O ' ' HG3' ' A' ' 391' ' ' GLU . 34.8 mt -60.02 -45.04 94.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.356 -0.384 . . . . 10.0 110.58 179.595 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 388' ' ' SER . . . . . 0.581 ' HB2' ' HE2' ' D' ' 594' ' ' LYS . 3.2 p -67.59 -35.97 79.99 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.65 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -63.55 -42.94 98.34 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.429 -0.35 . . . . 10.0 110.071 179.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 390' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 386' ' ' PHE . 96.6 mt -61.3 -37.07 81.87 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.079 0.466 . . . . 10.0 109.832 179.014 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 391' ' ' GLU . . . . . 0.532 ' HG3' ' O ' ' A' ' 387' ' ' LEU . 56.2 mt-10 -68.91 -44.46 73.11 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.242 -0.651 . . . . 10.0 109.242 178.228 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -54.99 -40.97 70.65 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.844 179.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -66.59 -53.99 28.33 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.236 179.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 23.2 m -60.46 -40.44 91.21 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 112.218 0.451 . . . . 10.0 112.218 -179.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -62.44 -28.61 69.93 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 112.94 0.719 . . . . 10.0 112.94 -179.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 396' ' ' LYS . . . . . 0.589 ' HE2' ' HA ' ' D' ' 587' ' ' ALA . 13.5 mptt -108.29 -21.09 12.91 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 113.472 0.916 . . . . 10.0 113.472 -178.722 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 39.6 mt -94.25 -14.76 25.17 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.064 0.394 . . . . 10.0 112.064 -179.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 63.3 t30 . . . . . 0 C--N 1.324 -0.514 0 CA-C-O 120.82 0.343 . . . . 10.0 110.783 179.986 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 399' ' ' LEU . . . . . 0.408 ' HA ' HD13 ' D' ' 399' ' ' LEU . 3.4 mm? . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.947 0.403 . . . . 10.0 110.716 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -112.96 26.29 10.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.326 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 67.5 mt -63.07 -45.23 93.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.004 -0.544 . . . . 10.0 111.096 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 54.8 mt -66.63 -35.66 80.7 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.213 -0.449 . . . . 10.0 110.584 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -61.4 -48.91 79.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.432 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -72.5 -39.52 67.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.903 -0.59 . . . . 10.0 111.095 -179.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -64.59 -37.34 87.22 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.988 -179.607 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -61.04 -36.77 80.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.422 -0.354 . . . . 10.0 110.977 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.42 -39.58 94.88 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 108.915 -0.772 . . . . 10.0 108.915 178.72 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 30.7 t -68.06 -36.31 74.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 CA-C-N 115.442 -0.799 . . . . 10.0 109.483 179.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 9.0 m -63.38 -38.45 91.21 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 109.275 -0.639 . . . . 10.0 109.275 178.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 16.6 m -65.77 -42.35 90.93 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.988 -0.551 . . . . 10.0 109.519 178.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 411' ' ' THR . . . . . 0.473 ' O ' ' HG ' ' D' ' 415' ' ' LEU . 26.8 m -64.18 -39.27 93.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.099 -0.501 . . . . 10.0 110.23 178.648 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -61.74 -41.32 97.51 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.313 -0.625 . . . . 10.0 109.313 178.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 413' ' ' SER . . . . . 0.446 ' O ' ' HG3' ' D' ' 417' ' ' GLU . 41.5 m -65.44 -40.86 93.79 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.458 -0.792 . . . . 10.0 110.059 178.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 414' ' ' LYS . . . . . 0.59 ' HE3' ' OE2' ' A' ' 362' ' ' GLU . 51.8 mmtt -65.14 -32.33 73.96 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-O 121.028 0.442 . . . . 10.0 110.385 178.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 415' ' ' LEU . . . . . 0.596 ' O ' ' HG ' ' D' ' 419' ' ' LEU . 85.2 mt -65.94 -39.56 90.58 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 108.747 -0.834 . . . . 10.0 108.747 178.131 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 70.5 mtt180 -69.64 -35.95 75.67 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.816 -0.629 . . . . 10.0 109.92 179.265 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 417' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' D' ' 413' ' ' SER . 19.2 mt-10 -64.78 -21.58 66.8 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.98 -0.554 . . . . 10.0 109.717 178.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -89.23 -44.55 10.2 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.492 -0.929 . . . . 10.0 108.492 177.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 419' ' ' LEU . . . . . 0.596 ' HG ' ' O ' ' D' ' 415' ' ' LEU . 82.5 mt -48.32 -55.2 11.29 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 115.329 -0.851 . . . . 10.0 111.949 -179.637 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -47.87 -71.72 0.53 Allowed Glycine 0 CA--C 1.523 0.554 0 O-C-N 123.493 0.496 . . . . 10.0 113.738 -179.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 421' ' ' PRO . . . . . 0.515 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 34.2 Cg_exo -58.97 -45.18 29.87 Favored 'Trans proline' 0 CA--C 1.532 0.398 0 C-N-CA 122.838 2.359 . . . . 10.0 113.035 179.707 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 51.9 t -60.38 -46.88 94.45 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.201 0 N-CA-C 112.934 0.716 . . . . 10.0 112.934 -178.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 28.6 p -61.59 -40.25 94.11 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.726 -0.39 . . . . 10.0 111.181 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -58.85 -51.57 69.43 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.021 0.439 . . . . 10.0 110.52 179.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 425' ' ' GLU . . . . . 0.515 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 8.7 pt-20 -72.38 -29.47 63.79 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.552 -0.459 . . . . 10.0 111.433 179.551 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 426' ' ' PHE . . . . . 0.499 ' O ' ' HG ' ' D' ' 430' ' ' LEU . 30.4 t80 -67.87 -41.31 83.05 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 109.545 -0.539 . . . . 10.0 109.545 178.573 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 6.3 m0 -62.26 -49.09 77.08 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 115.858 -0.61 . . . . 10.0 109.426 178.265 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 428' ' ' ASP . . . . . 0.451 ' O ' ' HG3' ' D' ' 432' ' ' LYS . 35.2 t70 -62.87 -35.09 78.86 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.603 -0.518 . . . . 10.0 109.603 178.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -63.84 -46.28 85.74 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 108.914 -0.772 . . . . 10.0 108.914 177.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 430' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' D' ' 426' ' ' PHE . 95.6 mt -65.15 -36.38 84.05 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.595 -0.729 . . . . 10.0 110.191 179.065 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -62.74 -37.57 87.09 Favored 'General case' 0 CA--C 1.521 -0.15 0 N-CA-C 110.094 -0.335 . . . . 10.0 110.094 178.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 432' ' ' LYS . . . . . 0.451 ' HG3' ' O ' ' D' ' 428' ' ' ASP . 42.6 mttp -64.7 -35.93 82.63 Favored 'General case' 0 CA--C 1.519 -0.215 0 N-CA-C 108.817 -0.809 . . . . 10.0 108.817 177.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -69.54 -47.89 62.22 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.356 -0.838 . . . . 10.0 110.629 179.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.76 -42.99 99.94 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 121.017 -0.273 . . . . 10.0 110.682 179.496 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 435' ' ' GLU . . . . . 0.523 ' O ' ' HG3' ' D' ' 439' ' ' GLN . 12.0 mm-40 -65.6 -44.83 85.4 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.595 -0.275 . . . . 10.0 110.338 178.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 436' ' ' GLY . . . . . 0.504 ' O ' ' HG3' ' D' ' 440' ' ' GLU . . . -62.14 -44.91 97.08 Favored Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 110.409 -1.076 . . . . 10.0 110.409 178.613 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 10.5 mt -61.2 -38.11 85.39 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.736 -0.468 . . . . 10.0 109.736 178.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 55.4 mtt180 -66.52 -31.23 71.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.523 -0.308 . . . . 10.0 111.014 179.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 439' ' ' GLN . . . . . 0.523 ' HG3' ' O ' ' D' ' 435' ' ' GLU . 96.0 mt-30 -68.65 -29.82 68.38 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-O 121.278 0.561 . . . . 10.0 109.666 178.433 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 440' ' ' GLU . . . . . 0.53 ' OE1' ' HD3' ' A' ' 334' ' ' ARG . 24.9 mt-10 -85.93 -49.2 8.04 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.515 -0.766 . . . . 10.0 110.032 179.108 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 97.9 mmm -60.39 -29.82 69.19 Favored 'General case' 0 CA--C 1.522 -0.125 0 CA-C-N 115.639 -0.709 . . . . 10.0 112.775 -178.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 3.0 p -62.93 -56.68 15.09 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.026 -0.731 . . . . 10.0 109.026 178.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 59.1 tttp -63.26 -39.83 95.7 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.57 -0.741 . . . . 10.0 109.497 178.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 444' ' ' ASP . . . . . 0.713 ' O ' ' HB ' ' D' ' 448' ' ' VAL . 12.0 t0 -58.08 -53.89 53.14 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.496 -0.774 . . . . 10.0 111.671 -179.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 445' ' ' LEU . . . . . 0.5 ' O ' HG12 ' D' ' 448' ' ' VAL . 67.7 mt -73.08 -44.0 61.1 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 113.339 0.866 . . . . 10.0 113.339 -178.604 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -64.75 -43.14 94.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.854 0.359 . . . . 10.0 111.326 -179.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 447' ' ' GLU . . . . . 0.586 ' HB3' HH21 ' A' ' 330' ' ' ARG . 31.1 tt0 -75.73 -29.06 58.77 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.459 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 448' ' ' VAL . . . . . 0.713 ' HB ' ' O ' ' D' ' 444' ' ' ASP . 0.3 OUTLIER -63.64 -28.33 44.77 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.194 0 CA-C-O 120.767 0.317 . . . . 10.0 110.184 179.421 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -64.29 -42.43 96.39 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 108.263 -1.014 . . . . 10.0 108.263 178.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -81.42 7.49 11.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.496 -0.775 . . . . 10.0 110.571 179.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 451' ' ' LYS . . . . . 0.526 ' O ' ' HB2' ' D' ' 455' ' ' TYR . 48.9 mttm -113.89 -45.7 3.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.365 179.33 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 87.3 t -69.38 -35.91 69.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 CA-C-N 116.152 -0.476 . . . . 10.0 111.04 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -58.92 -59.2 14.58 Favored Pre-proline 0 C--N 1.325 -0.468 0 N-CA-C 112.231 0.456 . . . . 10.0 112.231 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -67.33 -23.17 44.91 Favored 'Trans proline' 0 C--N 1.356 0.962 0 C-N-CA 121.952 1.768 . . . . 10.0 110.979 178.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 455' ' ' TYR . . . . . 0.526 ' HB2' ' O ' ' D' ' 451' ' ' LYS . 55.2 t80 -68.62 -51.65 39.99 Favored 'General case' 0 CA--C 1.516 -0.347 0 N-CA-C 109.107 -0.701 . . . . 10.0 109.107 179.266 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 44.3 mt -68.28 -27.88 66.71 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.622 -0.717 . . . . 10.0 110.423 179.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -68.59 -50.75 49.18 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.482 -0.562 . . . . 10.0 109.482 178.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 458' ' ' ASP . . . . . 0.61 ' HA ' ' HD2' ' D' ' 461' ' ' LYS . 33.0 t70 -63.83 -37.76 88.58 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 121.286 0.565 . . . . 10.0 109.584 178.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -67.85 -39.91 83.76 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.736 -0.665 . . . . 10.0 110.114 178.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -65.16 -37.92 88.9 Favored 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 109.468 -0.567 . . . . 10.0 109.468 178.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 461' ' ' LYS . . . . . 0.61 ' HD2' ' HA ' ' D' ' 458' ' ' ASP . 64.9 mttt -58.37 -46.33 86.55 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.817 -0.808 . . . . 10.0 108.817 178.003 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 462' ' ' LYS . . . . . 0.648 ' HB3' H281 ' D' ' 602' ' ' PCW . 10.8 mtmm -65.87 -38.83 89.83 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.287 -0.87 . . . . 10.0 110.271 178.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 463' ' ' TRP . . . . . 0.707 ' HE1' ' H75' ' D' ' 629' ' ' 17F . 24.6 m0 -65.92 -39.31 90.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.362 -0.381 . . . . 10.0 110.073 178.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -63.53 -47.45 81.59 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 108.384 -0.969 . . . . 10.0 108.384 178.122 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 465' ' ' GLU . . . . . 0.504 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 44.1 mt-10 -58.73 -49.75 76.46 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.424 -0.807 . . . . 10.0 109.897 178.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 466' ' ' GLU . . . . . 0.69 ' OE2' H262 ' D' ' 602' ' ' PCW . 0.0 OUTLIER -60.25 -45.14 94.32 Favored 'General case' 0 C--N 1.331 -0.214 0 O-C-N 123.453 0.471 . . . . 10.0 111.637 179.862 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 58.2 mtm -61.03 -41.15 96.03 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.813 -0.44 . . . . 10.0 109.813 178.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -68.06 -42.21 80.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 10.0 109.756 178.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 469' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' D' ' 465' ' ' GLU . 64.9 mt -61.56 -44.3 97.29 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.138 179.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 20.1 m-30 -61.5 -32.75 72.79 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.697 179.132 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 471' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' D' ' 471' ' ' ARG . 45.1 mtt180 -71.08 -24.73 62.37 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.381 -0.372 . . . . 10.0 110.147 178.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -102.94 3.26 36.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.919 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 473' ' ' LYS . . . . . 0.439 ' HE2' ' HB3' ' D' ' 469' ' ' LEU . 51.6 mttm -127.18 -75.51 0.58 Allowed 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 116.117 -0.492 . . . . 10.0 111.19 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 46.0 t -57.71 -43.36 83.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 N-CA-C 111.851 0.315 . . . . 10.0 111.851 -179.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -59.85 -59.38 14.02 Favored Pre-proline 0 CA--C 1.537 0.459 0 N-CA-C 112.977 0.732 . . . . 10.0 112.977 -179.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -64.56 -35.75 46.5 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 121.605 1.537 . . . . 10.0 111.173 178.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 21.5 mt -66.98 -27.61 67.58 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 116.469 -0.332 . . . . 10.0 110.763 179.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 478' ' ' ARG . . . . . 0.502 ' O ' ' HB2' ' D' ' 482' ' ' GLN . 9.6 ttt180 -62.4 -41.3 98.57 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.995 -0.743 . . . . 10.0 108.995 178.613 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -75.18 -36.61 61.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.584 -0.735 . . . . 10.0 110.084 179.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -65.67 -45.83 81.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.978 -0.555 . . . . 10.0 109.607 179.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 90.6 mt -70.96 -30.17 66.38 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.959 -0.564 . . . . 10.0 109.638 178.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 482' ' ' GLN . . . . . 0.502 ' HB2' ' O ' ' D' ' 478' ' ' ARG . 47.4 tp60 -66.2 -43.39 86.88 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 109.327 -0.62 . . . . 10.0 109.327 178.649 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -63.56 -41.42 98.41 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 108.548 -0.908 . . . . 10.0 108.548 178.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -66.02 -38.41 94.06 Favored Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 110.623 -0.991 . . . . 10.0 110.623 178.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -65.99 -39.72 90.57 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.434 -0.58 . . . . 10.0 109.434 178.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 75.2 mtt180 -64.44 -43.98 92.6 Favored 'General case' 0 CA--C 1.514 -0.406 0 N-CA-C 108.335 -0.987 . . . . 10.0 108.335 178.159 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 487' ' ' GLN . . . . . 0.41 ' O ' ' HG3' ' D' ' 491' ' ' GLU . 14.9 mm100 -59.81 -45.13 93.31 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.353 -0.84 . . . . 10.0 109.859 178.144 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 63.8 tttt -66.52 -38.23 86.74 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-N 116.422 -0.354 . . . . 10.0 110.44 179.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.31 -41.69 98.97 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 108.468 -0.938 . . . . 10.0 108.468 178.338 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -62.67 -44.06 97.22 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 108.82 -0.807 . . . . 10.0 108.82 177.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 491' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' D' ' 487' ' ' GLN . 37.7 mt-10 -59.88 -44.78 94.0 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.794 -0.639 . . . . 10.0 109.331 178.503 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 89.3 mt -68.4 -38.33 81.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.518 -0.765 . . . . 10.0 111.32 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -61.98 -38.3 88.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.302 0.572 . . . . 10.0 109.612 178.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -73.95 4.88 4.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.399 -0.819 . . . . 10.0 110.988 178.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 495' ' ' LYS . . . . . 0.758 ' HE3' HD22 ' A' ' 279' ' ' LEU . 49.6 mttp -121.13 -46.87 2.29 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.643 -0.708 . . . . 10.0 109.754 178.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 496' ' ' LEU . . . . . 0.491 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 18.9 mt -61.05 -25.46 66.94 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.161 -0.472 . . . . 10.0 111.807 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 497' ' ' SER . . . . . 0.543 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 1.9 m -81.06 -64.5 0.28 Allowed Pre-proline 0 CA--C 1.542 0.66 0 C-N-CA 120.748 -0.381 . . . . 10.0 111.698 179.348 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 498' ' ' PRO . . . . . 0.543 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 33.2 Cg_endo -66.01 -49.08 2.27 Favored 'Trans proline' 0 C--N 1.357 1.012 0 C-N-CA 121.907 1.738 . . . . 10.0 112.474 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 499' ' ' LEU . . . . . 0.579 ' HB2' ' O ' ' D' ' 495' ' ' LYS . 40.7 mt -71.86 -29.11 64.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.823 0.344 . . . . 10.0 110.09 179.559 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 500' ' ' GLY . . . . . 0.491 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -64.79 -51.8 48.28 Favored Glycine 0 N--CA 1.448 -0.507 0 N-CA-C 109.905 -1.278 . . . . 10.0 109.905 178.596 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 501' ' ' GLU . . . . . 0.438 ' HA ' ' HD2' ' D' ' 504' ' ' ARG . 20.2 mt-10 -65.63 -32.97 74.83 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 109.722 -0.473 . . . . 10.0 109.722 178.377 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 502' ' ' GLU . . . . . 0.56 ' HG2' ' HE ' ' D' ' 506' ' ' ARG . 28.5 tt0 -65.4 -46.64 79.24 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.798 -0.637 . . . . 10.0 109.92 179.301 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 503' ' ' MET . . . . . 0.408 ' HA ' ' HD2' ' D' ' 506' ' ' ARG . 89.2 mmm -61.99 -36.93 82.98 Favored 'General case' 0 CA--C 1.52 -0.182 0 N-CA-C 109.286 -0.635 . . . . 10.0 109.286 178.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 504' ' ' ARG . . . . . 0.438 ' HD2' ' HA ' ' D' ' 501' ' ' GLU . 87.2 mtt180 -63.68 -44.58 93.3 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-N 115.61 -0.723 . . . . 10.0 109.222 177.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 505' ' ' ASP . . . . . 0.498 ' HA ' ' HD2' ' D' ' 508' ' ' ARG . 0.5 OUTLIER -64.16 -42.82 96.59 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.275 179.069 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' D' D ' 506' ' ' ARG . . . . . 0.56 ' HE ' ' HG2' ' D' ' 502' ' ' GLU . 56.4 mtt180 -59.09 -48.14 82.68 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 108.801 -0.814 . . . . 10.0 108.801 178.14 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -60.69 -40.1 90.93 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.669 -0.696 . . . . 10.0 110.309 179.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 508' ' ' ARG . . . . . 0.498 ' HD2' ' HA ' ' D' ' 505' ' ' ASP . 78.3 mtt180 -59.04 -45.94 89.47 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.501 -0.555 . . . . 10.0 109.501 178.734 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 509' ' ' ALA . . . . . 0.602 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -63.58 -38.41 91.01 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.353 -0.84 . . . . 10.0 110.955 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 510' ' ' HIS . . . . . 0.524 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 68.2 m-70 -70.34 -48.22 57.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.44 -0.346 . . . . 10.0 110.513 179.321 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 70.8 t -63.12 -45.21 99.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.361 -0.382 . . . . 10.0 110.744 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 512' ' ' ASP . . . . . 0.413 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 29.0 t70 -62.27 -37.2 84.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.086 0.47 . . . . 10.0 110.671 179.617 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -66.63 -42.06 87.32 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.842 -0.799 . . . . 10.0 108.842 178.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 514' ' ' LEU . . . . . 0.535 ' HA ' ' HB2' ' D' ' 517' ' ' HIS . 97.8 mt -60.48 -26.21 66.63 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.638 179.123 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 515' ' ' ARG . . . . . 0.498 ' O ' ' HD3' ' D' ' 520' ' ' PRO . 76.7 mtt180 -68.56 -24.12 64.58 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.926 -0.398 . . . . 10.0 109.926 178.654 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -108.2 -4.76 17.31 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.349 0.595 . . . . 10.0 109.981 179.37 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 517' ' ' HIS . . . . . 0.535 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 27.4 m170 -105.41 -69.37 0.82 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.678 -0.692 . . . . 10.0 111.562 -179.473 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 38.1 mt -74.3 -46.19 42.65 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.858 0.688 . . . . 10.0 112.858 -178.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 519' ' ' ALA . . . . . 0.631 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -54.29 -57.92 16.19 Favored Pre-proline 0 N--CA 1.467 0.388 0 N-CA-C 113.235 0.828 . . . . 10.0 113.235 -179.122 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 520' ' ' PRO . . . . . 0.631 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 32.5 Cg_exo -64.16 -34.98 55.14 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 121.937 1.758 . . . . 10.0 110.904 179.251 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 521' ' ' TYR . . . . . 0.503 ' HB2' ' O ' ' D' ' 517' ' ' HIS . 12.4 t80 -65.0 -32.18 73.78 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.021 179.177 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 522' ' ' SER . . . . . 0.513 ' O ' ' HG3' ' D' ' 526' ' ' ARG . 41.8 m -65.94 -34.02 77.15 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 109.162 -0.681 . . . . 10.0 109.162 178.62 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 523' ' ' ASP . . . . . 0.581 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 34.4 t70 -71.91 -41.18 68.22 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-N 115.698 -0.683 . . . . 10.0 109.308 178.664 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -67.16 -32.23 73.18 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 109.146 -0.687 . . . . 10.0 109.146 178.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 22.6 mt -67.04 -34.01 76.76 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-N 115.63 -0.714 . . . . 10.0 109.368 177.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 526' ' ' ARG . . . . . 0.581 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 72.8 mtt180 -62.46 -37.72 87.04 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.076 -0.511 . . . . 10.0 109.839 178.589 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -63.06 -39.78 95.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.536 0.684 . . . . 10.0 109.796 179.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 528' ' ' ARG . . . . . 0.558 ' HB3' ' OE1' ' A' ' 242' ' ' GLU . 80.2 mtt180 -75.03 -48.12 25.61 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.014 -0.994 . . . . 10.0 110.223 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 69.7 mt -58.38 -37.77 75.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.924 179.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -61.35 -40.69 95.21 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.892 0.377 . . . . 10.0 110.076 178.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -70.8 -43.45 68.64 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.011 -0.54 . . . . 10.0 109.728 179.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 532' ' ' ARG . . . . . 0.595 ' O ' ' HG ' ' D' ' 536' ' ' LEU . 10.5 ttm180 -59.52 -47.14 86.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.438 -0.801 . . . . 10.0 110.02 179.365 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 71.6 mt -67.31 -36.49 81.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.901 -0.591 . . . . 10.0 110.665 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -62.13 -45.79 91.91 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 109.483 -0.562 . . . . 10.0 109.483 179.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -63.58 -39.36 94.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.55 -0.75 . . . . 10.0 109.461 178.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 536' ' ' LEU . . . . . 0.595 ' HG ' ' O ' ' D' ' 532' ' ' ARG . 54.0 mt -66.48 -34.44 77.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.855 -0.611 . . . . 10.0 110.815 179.689 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -74.46 -42.3 59.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.649 179.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -64.3 -44.32 92.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.526 0.679 . . . . 10.0 109.564 179.189 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -70.94 -34.59 71.62 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.615 -0.72 . . . . 10.0 109.549 178.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -66.66 -46.55 74.96 Favored Glycine 0 CA--C 1.508 -0.38 0 N-CA-C 111.283 -0.727 . . . . 10.0 111.283 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -59.41 -38.85 94.05 Favored Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 110.606 -0.998 . . . . 10.0 110.606 178.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -69.09 -45.09 71.14 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.4 -0.593 . . . . 10.0 109.4 178.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 56.5 mtt85 -63.51 -29.66 70.9 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 115.871 -0.604 . . . . 10.0 111.4 179.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 544' ' ' LEU . . . . . 0.415 ' O ' ' HB2' ' D' ' 548' ' ' HIS . 61.3 mt -66.64 -29.66 69.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.443 0.64 . . . . 10.0 109.354 178.485 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -81.1 -42.9 20.26 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 108.411 -0.959 . . . . 10.0 108.411 178.119 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -61.19 -47.37 86.46 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.523 -0.762 . . . . 10.0 109.668 178.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -62.83 -40.65 98.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.35 179.266 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 548' ' ' HIS . . . . . 0.415 ' HB2' ' O ' ' D' ' 544' ' ' LEU . 1.3 t-80 -63.92 -43.25 96.47 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.435 -0.58 . . . . 10.0 109.435 178.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 549' ' ' ALA . . . . . 0.634 ' O ' ' HG3' ' D' ' 553' ' ' GLU . . . -64.01 -49.76 71.18 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.438 -0.801 . . . . 10.0 109.093 178.454 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.09 -40.43 85.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.996 179.68 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -63.2 -37.42 87.16 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.342 -0.614 . . . . 10.0 109.342 178.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 42.9 m -67.39 -47.49 70.17 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.889 -0.782 . . . . 10.0 108.889 178.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 553' ' ' GLU . . . . . 0.634 ' HG3' ' O ' ' D' ' 549' ' ' ALA . 31.6 mt-10 -60.29 -40.72 91.46 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.813 -0.63 . . . . 10.0 110.386 179.276 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 79.5 t60 -68.46 -41.64 79.91 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.749 -0.66 . . . . 10.0 109.86 179.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 20.8 tp -62.97 -40.27 97.2 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.307 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 1.2 p -65.0 -38.73 91.92 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.586 -0.279 . . . . 10.0 110.495 179.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 3.8 p -75.43 -31.31 60.31 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 120.855 0.359 . . . . 10.0 110.591 178.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 558' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' D' ' 558' ' ' LEU . 14.3 mt -62.8 -52.14 64.33 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 115.894 -0.594 . . . . 10.0 109.858 179.379 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 3.8 p -66.58 -35.63 80.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.447 . . . . 10.0 110.567 179.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -60.61 -32.24 71.38 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.488 -0.778 . . . . 10.0 111.287 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.06 -34.39 10.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.429 . . . . 10.0 111.721 -179.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -58.02 -45.05 87.53 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.918 0.34 . . . . 10.0 111.918 -179.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -55.44 -62.39 4.53 Favored Pre-proline 0 CA--C 1.533 0.311 0 N-CA-C 112.473 0.546 . . . . 10.0 112.473 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -63.76 -34.42 61.82 Favored 'Trans proline' 0 C--N 1.354 0.861 0 C-N-CA 121.832 1.688 . . . . 10.0 111.913 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -62.47 -52.82 61.99 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 120.593 0.235 . . . . 10.0 110.399 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 86.5 mt -59.72 -46.55 88.76 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.363 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -58.57 -53.42 58.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.981 -0.554 . . . . 10.0 111.353 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.8 -40.64 97.12 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.17 -0.468 . . . . 10.0 111.396 -179.422 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 38.3 mt -60.58 -44.25 96.41 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 110.081 -0.34 . . . . 10.0 110.081 179.128 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 -68.37 -41.83 80.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.857 0.36 . . . . 10.0 110.045 179.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -62.32 -23.72 66.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.767 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 572' ' ' GLY . . . . . 0.495 ' O ' ' HB ' ' D' ' 576' ' ' VAL . . . -96.14 -32.7 6.61 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.8 -0.714 . . . . 10.0 111.63 178.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 573' ' ' LEU . . . . . 0.436 ' HA ' HG12 ' D' ' 576' ' ' VAL . 34.9 mt -66.29 -40.76 90.26 Favored 'General case' 0 C--O 1.224 -0.254 0 C-N-CA 122.413 0.285 . . . . 10.0 111.609 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 574' ' ' LEU . . . . . 0.516 ' O ' ' HG2' ' D' ' 578' ' ' GLU . 92.2 mt -55.64 -61.19 6.64 Favored Pre-proline 0 CA--C 1.536 0.426 0 N-CA-C 112.071 0.397 . . . . 10.0 112.071 179.51 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -64.79 -37.94 32.96 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 121.851 1.701 . . . . 10.0 111.754 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 576' ' ' VAL . . . . . 0.495 ' HB ' ' O ' ' D' ' 572' ' ' GLY . 0.3 OUTLIER -64.64 -37.16 79.38 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 C-N-CA 121.306 -0.158 . . . . 10.0 111.227 -179.862 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 29.5 mt -68.65 -39.9 80.47 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 109.477 -0.564 . . . . 10.0 109.477 178.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 578' ' ' GLU . . . . . 0.576 ' HA ' ' HD2' ' D' ' 581' ' ' LYS . 23.1 mm-40 -65.12 -40.27 94.24 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.295 -0.631 . . . . 10.0 109.295 178.471 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 20.0 m -65.99 -43.96 86.25 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.209 -0.663 . . . . 10.0 109.209 178.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -60.07 -38.47 82.97 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.809 -0.632 . . . . 10.0 110.025 178.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 581' ' ' LYS . . . . . 0.576 ' HD2' ' HA ' ' D' ' 578' ' ' GLU . 91.4 mttt -57.67 -43.78 85.27 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.479 -0.563 . . . . 10.0 109.479 178.299 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 88.2 t -61.58 -43.69 97.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.765 -0.652 . . . . 10.0 110.207 179.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 1.1 m -65.07 -43.5 92.0 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.471 179.219 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -66.53 -48.05 70.98 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.128 -0.487 . . . . 10.0 111.027 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 16.1 mt -56.09 -47.82 77.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.242 -0.435 . . . . 10.0 111.305 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 11.0 p -67.26 -41.4 85.6 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.386 -0.37 . . . . 10.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 587' ' ' ALA . . . . . 0.589 ' HA ' ' HE2' ' A' ' 396' ' ' LYS . . . -62.72 -53.26 57.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.732 179.746 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 73.5 mt -60.7 -43.01 98.29 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.023 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 589' ' ' GLU . . . . . 0.502 ' O ' ' HG3' ' D' ' 593' ' ' LYS . 13.4 tt0 -58.25 -53.97 52.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.338 -0.392 . . . . 10.0 110.868 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -67.76 -35.29 78.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.26 -0.427 . . . . 10.0 111.759 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 591' ' ' TYR . . . . . 0.562 ' HB3' ' H48' ' D' ' 630' ' ' 17F . 4.0 m-30 -59.37 -43.45 92.87 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-O 121.021 0.438 . . . . 10.0 110.109 179.03 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 7.4 m -65.71 -19.42 65.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.683 -0.69 . . . . 10.0 110.985 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 593' ' ' LYS . . . . . 0.502 ' HG3' ' O ' ' D' ' 589' ' ' GLU . 82.3 mttt -90.6 -36.71 14.26 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.223 -0.444 . . . . 10.0 109.973 179.273 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 594' ' ' LYS . . . . . 0.581 ' HE2' ' HB2' ' A' ' 388' ' ' SER . 8.9 mptt -75.36 -20.63 58.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.715 -0.675 . . . . 10.0 110.618 179.603 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 72.2 mt -120.17 32.79 5.86 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.688 -0.687 . . . . 10.0 109.234 178.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 . . . . . 0 C--N 1.324 -0.525 0 CA-C-N 115.42 -0.809 . . . . 10.0 111.26 -179.02 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 15.0 m . . . . . 0 C--O 1.232 0.158 0 CA-C-O 121.076 0.465 . . . . 10.0 110.507 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -102.38 157.41 16.93 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.292 -0.632 . . . . 10.0 109.292 179.561 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -130.66 122.74 27.92 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.685 -0.487 . . . . 10.0 109.685 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 99.8 m-85 -121.35 118.89 30.61 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.931 0.396 . . . . 10.0 111.302 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.423 ' HD3' HG22 ' B' ' 74' ' ' THR . 48.4 mttm -85.57 118.37 25.05 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.884 -0.598 . . . . 10.0 109.954 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.477 ' O ' ' HA ' ' B' ' 55' ' ' ILE . 12.0 mt -118.22 122.59 43.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.357 -0.383 . . . . 10.0 111.098 -178.326 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 59.3 t -108.68 123.68 64.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 116.436 -0.347 . . . . 10.0 110.191 179.346 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.656 HG12 ' HD2' ' B' ' 16' ' ' LYS . 6.3 t -90.39 107.44 18.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 110.02 -0.363 . . . . 10.0 110.02 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 5.9 m -108.61 152.99 10.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.506 -179.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 152.75 -172.42 31.83 Favored Glycine 0 N--CA 1.445 -0.759 0 CA-C-N 115.526 -0.761 . . . . 10.0 111.446 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.94 -167.04 1.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.099 0.476 . . . . 10.0 111.543 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.5 144.46 30.91 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.846 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . 0.812 ' HA2' H5'1 ' B' ' 201' ' ' GSP . . . 78.24 3.22 85.24 Favored Glycine 0 N--CA 1.455 -0.099 0 CA-C-N 115.983 -0.553 . . . . 10.0 113.27 179.528 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.461 HG12 ' HB2' ' B' ' 83' ' ' ALA . 26.8 m -76.43 -19.84 15.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.692 0.282 . . . . 10.0 111.56 -179.447 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . 0.652 ' O ' ' HG ' ' B' ' 19' ' ' LEU . . . 107.8 19.88 8.85 Favored Glycine 0 C--N 1.33 0.216 0 C-N-CA 120.478 -0.868 . . . . 10.0 114.117 178.452 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.656 ' HD2' HG12 ' B' ' 8' ' ' VAL . 1.2 mtmp? -58.52 -34.68 71.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.147 0.499 . . . . 10.0 111.109 179.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 3.4 m -81.42 -42.59 20.16 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.978 -0.556 . . . . 10.0 110.085 179.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.42 -44.18 76.01 Favored 'General case' 0 C--O 1.234 0.278 0 O-C-N 123.57 0.544 . . . . 10.0 111.066 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.743 HD23 ' HB2' ' B' ' 146' ' ' ALA . 57.4 mt -64.75 -49.12 72.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.046 -0.525 . . . . 10.0 111.135 179.748 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 21.8 m -61.72 -42.96 99.65 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.324 -0.398 . . . . 10.0 111.936 -179.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.83 -31.46 53.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.989 0.423 . . . . 10.0 111.221 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . 0.437 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 5.2 mm-40 -72.17 -14.5 61.83 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.355 -0.384 . . . . 10.0 111.165 179.191 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 17.6 tp -98.06 -40.33 8.48 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.977 0.418 . . . . 10.0 110.844 179.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 37.1 mm -77.21 -77.1 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.368 -179.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -77.01 -18.76 57.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.82 0.343 . . . . 10.0 111.074 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . 0.437 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 16.5 m-80 66.22 41.17 3.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.885 -0.598 . . . . 10.0 112.564 178.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -140.98 156.47 46.04 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.436 -0.347 . . . . 10.0 110.102 178.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -105.68 138.29 42.11 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.676 0.275 . . . . 10.0 111.482 -179.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 6.7 m -119.85 141.93 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.784 179.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -100.53 -8.51 23.01 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.444 0.64 . . . . 10.0 109.874 179.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -80.44 129.05 34.26 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.116 -0.947 . . . . 10.0 109.931 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . 0.425 ' CD1' H5'2 ' B' ' 201' ' ' GSP . 32.2 t80 -82.22 114.45 20.73 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.96 0.409 . . . . 10.0 110.922 -179.494 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . 0.447 ' O ' ' S1G' ' B' ' 201' ' ' GSP . 9.4 t70 -117.75 101.16 52.34 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.494 179.397 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -57.93 106.8 0.27 Allowed 'Trans proline' 0 C--O 1.234 0.282 0 C-N-CA 122.797 2.331 . . . . 10.0 111.358 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.433 ' OG1' ' O3G' ' B' ' 201' ' ' GSP . 0.2 OUTLIER -89.2 114.73 26.08 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 115.764 -0.653 . . . . 10.0 109.885 -179.645 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 38.4 mm -79.68 -49.31 19.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.108 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . 0.669 ' HG2' HD11 ' B' ' 56' ' ' LEU . 5.7 tt0 -170.86 87.44 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.514 -0.766 . . . . 10.0 109.188 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -123.5 139.28 54.17 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.566 -0.288 . . . . 10.0 110.791 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . 0.402 ' HA ' ' O ' ' B' ' 55' ' ' ILE . 19.5 p -124.4 157.45 35.08 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 111.937 0.347 . . . . 10.0 111.937 -179.326 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -135.86 152.38 50.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.443 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -118.8 123.7 45.42 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.158 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 52.6 tttp -138.27 144.82 40.69 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.487 -0.324 . . . . 10.0 110.147 179.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . 0.487 ' HG2' HG22 ' B' ' 50' ' ' THR . 4.7 tt0 -109.44 123.41 49.32 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.409 -0.359 . . . . 10.0 110.159 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . 0.444 HG23 HG13 ' B' ' 46' ' ' ILE . 3.3 m -131.28 162.28 39.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.41 -0.359 . . . . 10.0 110.975 -179.474 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 2.5 m -104.65 56.22 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 121.289 0.566 . . . . 10.0 111.212 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . 0.665 HD13 ' HA ' ' B' ' 157' ' ' TYR . 20.3 mt -62.72 123.59 15.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.928 -0.578 . . . . 10.0 111.412 -179.711 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . 0.62 ' HA ' ' HB3' ' C' ' 128' ' ' LYS . 63.8 m-20 64.14 16.58 10.11 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.41 -0.814 . . . . 10.0 112.349 179.703 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.76 6.22 62.35 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.781 -0.723 . . . . 10.0 112.905 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -120.9 125.36 47.26 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.686 0.279 . . . . 10.0 110.843 179.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . 0.487 HG22 ' HG2' ' B' ' 43' ' ' GLN . 0.2 OUTLIER -72.81 120.47 18.48 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.036 0.446 . . . . 10.0 110.204 179.366 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -136.55 153.19 51.06 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.495 -179.535 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 42.4 tp -98.03 129.43 44.89 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.922 -0.581 . . . . 10.0 109.691 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 19.9 mt -102.09 128.33 48.61 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.884 0.374 . . . . 10.0 111.537 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . 0.405 ' HB3' ' HA ' ' B' ' 5' ' ' LYS . 30.3 t70 -106.61 83.83 1.92 Allowed 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.005 -1.109 . . . . 10.0 108.005 177.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' ILE . . . . . 0.477 ' HA ' ' O ' ' B' ' 6' ' ' LEU . 61.3 mt -87.56 128.21 40.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.251 -178.481 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.669 HD11 ' HG2' ' B' ' 37' ' ' GLU . 27.3 tp -122.08 118.6 29.12 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.263 -0.426 . . . . 10.0 111.228 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -98.09 109.5 22.25 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-O 121.118 0.485 . . . . 10.0 110.016 178.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.14 176.68 5.99 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.917 -0.583 . . . . 10.0 111.014 -179.693 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -80.6 151.24 29.17 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.189 0.519 . . . . 10.0 111.924 -178.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -117.88 23.4 9.42 Favored Glycine 0 N--CA 1.45 -0.426 0 N-CA-C 110.32 -1.112 . . . . 10.0 110.32 179.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -89.56 3.49 52.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.418 -0.391 . . . . 10.0 111.132 -179.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.426 ' HB3' ' H ' ' B' ' 63' ' ' GLU . 27.5 mm-40 61.83 -159.77 0.31 Allowed 'General case' 0 C--O 1.234 0.284 0 O-C-N 123.328 0.393 . . . . 10.0 110.075 -178.335 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.426 ' H ' ' HB3' ' B' ' 62' ' ' GLU . 0.6 OUTLIER 58.44 39.84 24.74 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.09 0.471 . . . . 10.0 110.266 179.709 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -145.17 41.56 1.27 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.866 -179.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.79 -47.06 77.77 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.49 0.552 . . . . 10.0 112.49 -179.358 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -74.75 -25.02 58.81 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.876 0.324 . . . . 10.0 111.876 -179.072 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . 0.498 ' HG2' ' HE1' ' B' ' 71' ' ' TYR . 20.9 ttt -80.24 -41.18 25.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.981 0.42 . . . . 10.0 110.605 -179.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . 0.694 ' HA ' ' CZ ' ' B' ' 71' ' ' TYR . 11.0 ttp180 -62.31 -34.04 75.83 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.85 -0.614 . . . . 10.0 111.574 -179.511 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.29 2.39 4.84 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.021 -0.536 . . . . 10.0 112.288 -179.472 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -100.3 -67.25 0.86 Allowed 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 111.968 0.359 . . . . 10.0 111.968 -179.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' TYR . . . . . 0.694 ' CZ ' ' HA ' ' B' ' 68' ' ' ARG . 9.0 p90 -62.56 -18.8 62.83 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 112.919 0.711 . . . . 10.0 112.919 -178.758 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 19.7 mtt -66.13 -26.35 67.41 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-O 121.142 0.496 . . . . 10.0 110.394 179.069 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 -72.25 -43.12 64.8 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.19 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . 0.423 HG22 ' HD3' ' B' ' 5' ' ' LYS . 0.2 OUTLIER -74.37 -40.26 62.21 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.891 -0.595 . . . . 10.0 111.973 -179.379 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -57.13 118.54 12.52 Favored Glycine 0 C--N 1.33 0.215 0 C-N-CA 121.177 -0.535 . . . . 10.0 113.826 -179.106 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -88.84 -38.06 14.89 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.24 0.543 . . . . 10.0 109.699 179.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . 0.407 ' HA3' HD11 ' B' ' 163' ' ' ILE . . . -121.33 130.53 8.2 Favored Glycine 0 N--CA 1.448 -0.564 0 N-CA-C 110.864 -0.894 . . . . 10.0 110.864 179.075 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . 0.466 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 73.3 m-85 -109.9 121.7 45.85 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.079 0.466 . . . . 10.0 111.522 -179.204 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.538 ' HB2' HD22 ' B' ' 159' ' ' LEU . 21.6 tp -103.5 101.32 11.2 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.819 -0.628 . . . . 10.0 109.634 179.308 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . 0.626 ' HB3' HD12 ' B' ' 93' ' ' ILE . 2.9 m -83.95 108.1 16.72 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.855 -179.548 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 40.8 t -103.79 124.06 57.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.611 -0.722 . . . . 10.0 110.43 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 34.6 p90 -124.23 163.44 21.59 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.108 179.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.673 ' HB3' ' HB3' ' B' ' 86' ' ' ASN . . . -101.93 124.5 47.65 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.859 -0.423 . . . . 10.0 109.859 179.643 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 29.3 pt -65.84 -15.5 18.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.829 0.347 . . . . 10.0 111.383 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . 0.415 ' OD1' ' HB1' ' B' ' 83' ' ' ALA . 19.3 p-10 -102.13 8.41 40.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.762 -0.654 . . . . 10.0 110.563 179.264 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.673 ' HB3' ' HB3' ' B' ' 83' ' ' ALA . 24.8 t-20 -134.96 103.75 5.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.024 0.44 . . . . 10.0 110.75 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.44 -39.93 85.18 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.596 0.591 . . . . 10.0 112.596 -179.304 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -53.87 -51.49 63.5 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.461 0.541 . . . . 10.0 112.461 -178.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 77.7 p -57.06 -40.56 77.07 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.962 0.727 . . . . 10.0 112.962 -179.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -66.57 -46.35 76.31 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.084 0.402 . . . . 10.0 112.084 -179.18 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -71.17 -31.71 68.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.857 0.36 . . . . 10.0 111.111 -179.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . 0.476 ' HA ' ' HD2' ' B' ' 95' ' ' HIS . 0.2 OUTLIER -62.6 -26.31 68.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.816 -0.629 . . . . 10.0 111.776 -179.336 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 93' ' ' ILE . . . . . 0.626 HD12 ' HB3' ' B' ' 80' ' ' CYS . 51.5 mm -55.68 -35.83 40.41 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.889 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -63.36 -41.92 98.86 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.22 -0.445 . . . . 10.0 110.344 179.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 95' ' ' HIS . . . . . 0.476 ' HD2' ' HA ' ' B' ' 92' ' ' ASP . 82.3 m-70 -63.67 -42.73 98.03 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.008 -0.542 . . . . 10.0 110.439 179.625 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 96' ' ' TYR . . . . . 0.426 ' O ' HG13 ' B' ' 100' ' ' ILE . 57.2 m-85 -63.46 -41.85 98.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.605 -0.725 . . . . 10.0 110.298 179.472 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -57.64 -47.69 81.54 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.815 -0.63 . . . . 10.0 111.849 -179.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -63.02 -36.25 82.95 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.576 -0.284 . . . . 10.0 111.455 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 99' ' ' GLN . . . . . 0.443 ' O ' HG23 ' B' ' 103' ' ' VAL . 62.6 tt0 -68.24 -41.38 81.27 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 121.014 -0.274 . . . . 10.0 110.297 179.19 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . 0.481 HG21 HG11 ' B' ' 109' ' ' VAL . 97.9 mt -56.94 -45.75 83.68 Favored 'Isoleucine or valine' 0 C--O 1.239 0.515 0 CA-C-O 121.021 0.439 . . . . 10.0 110.222 179.259 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 15.6 mtmt -68.32 -16.17 63.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.537 -0.756 . . . . 10.0 111.829 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? -92.63 -37.39 12.45 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.893 0.378 . . . . 10.0 110.835 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . 0.443 HG23 ' O ' ' B' ' 99' ' ' GLN . 49.8 t -71.06 -48.0 58.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.779 0.323 . . . . 10.0 110.848 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . 0.408 ' C ' ' H ' ' B' ' 106' ' ' SER . 21.9 mtpp -88.43 -17.25 30.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.398 -0.365 . . . . 10.0 110.865 -179.709 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 20.9 t70 71.57 -13.75 0.54 Allowed 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 115.662 -0.699 . . . . 10.0 112.513 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . 0.408 ' H ' ' C ' ' B' ' 104' ' ' LYS . 23.2 t -71.07 145.75 49.7 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.971 -0.559 . . . . 10.0 112.253 -178.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -84.18 -40.99 17.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.393 0.616 . . . . 10.0 109.63 178.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -97.01 122.96 40.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.738 -0.664 . . . . 10.0 109.719 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 0.481 HG11 HG21 ' B' ' 100' ' ' ILE . 78.6 t -135.55 130.86 19.1 Favored Pre-proline 0 C--N 1.324 -0.536 0 N-CA-C 110.056 -0.349 . . . . 10.0 110.056 -179.453 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 110' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 22.3 Cg_exo -66.69 105.68 0.97 Allowed 'Trans proline' 0 C--O 1.235 0.339 0 C-N-CA 122.719 2.279 . . . . 10.0 111.706 179.291 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 111' ' ' MET . . . . . 0.466 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 50.3 mtm -137.35 147.62 45.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.163 -179.706 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 84.3 t -129.88 133.44 64.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 109.141 -0.688 . . . . 10.0 109.141 178.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 19.4 tp -95.92 111.65 23.58 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.723 -0.473 . . . . 10.0 109.723 -179.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 114' ' ' VAL . . . . . 0.637 HG12 ' HB ' ' B' ' 142' ' ' ILE . 4.0 m -115.9 123.28 71.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.133 0.492 . . . . 10.0 112.144 -179.602 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -95.7 112.17 4.36 Favored Glycine 0 N--CA 1.443 -0.845 0 N-CA-C 109.56 -1.416 . . . . 10.0 109.56 178.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 116' ' ' ASN . . . . . 0.429 ' ND2' ' N7 ' ' B' ' 201' ' ' GSP . 66.4 t30 -93.06 160.03 15.04 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 112.003 0.372 . . . . 10.0 112.003 -178.653 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . 0.443 ' HE2' ' C8 ' ' B' ' 201' ' ' GSP . 82.1 mttt 68.39 35.14 3.48 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.733 0.642 . . . . 10.0 112.733 179.008 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 34.7 m -67.22 2.99 1.33 Allowed 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 112.847 0.684 . . . . 10.0 112.847 179.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -97.1 -7.89 31.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.931 0.396 . . . . 10.0 109.974 178.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 15.2 mt -74.88 132.03 78.15 Favored Pre-proline 0 C--O 1.236 0.378 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.857 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -73.82 143.96 34.13 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.888 2.392 . . . . 10.0 111.298 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 1.5 m 58.61 80.98 0.17 Allowed 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.094 0.473 . . . . 10.0 111.738 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 17.8 ptp180 -86.27 150.75 24.14 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.295 -0.411 . . . . 10.0 111.35 -179.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 10.8 m -80.55 -53.86 6.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.913 0.387 . . . . 10.0 110.384 179.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 72.3 t -87.06 104.14 13.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.13 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -69.03 154.16 42.54 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.798 -0.637 . . . . 10.0 109.923 179.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.99 -35.12 70.77 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.488 -0.324 . . . . 10.0 110.717 179.714 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 128' ' ' LYS . . . . . 0.664 ' HB2' ' HA ' ' C' ' 47' ' ' ASP . 10.5 ptmm? -52.28 -39.22 60.18 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 115.469 -0.787 . . . . 10.0 112.899 -179.706 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -92.08 -33.54 14.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.777 0.322 . . . . 10.0 111.683 -179.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.4 -39.83 94.62 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.928 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -77.17 -34.16 56.4 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.158 -0.474 . . . . 10.0 111.418 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -63.15 -41.62 99.31 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.014 0.435 . . . . 10.0 111.415 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 34.1 tp -64.31 -48.62 74.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.028 0.442 . . . . 10.0 109.873 179.152 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.1 -35.09 77.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.664 -0.698 . . . . 10.0 110.208 179.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 135' ' ' ARG . . . . . 0.488 ' HG2' ' HE3' ' C' ' 165' ' ' LYS . 6.2 tmm_? -64.1 -40.44 96.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.831 -0.622 . . . . 10.0 109.903 179.291 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 32.2 m -72.7 -32.74 65.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.276 -0.42 . . . . 10.0 110.839 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 4.6 m-30 -79.36 -21.29 45.97 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.238 -0.437 . . . . 10.0 111.216 179.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 76.91 32.39 49.77 Favored Glycine 0 N--CA 1.45 -0.396 0 N-CA-C 111.422 -0.671 . . . . 10.0 111.422 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 46.9 pt -118.09 158.62 45.73 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 115.746 -0.227 . . . . 10.0 110.688 -179.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -78.4 131.99 10.94 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 122.866 2.377 . . . . 10.0 111.991 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -105.31 130.98 53.32 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.115 -0.493 . . . . 10.0 109.685 178.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 142' ' ' ILE . . . . . 0.637 ' HB ' HG12 ' B' ' 114' ' ' VAL . 58.2 mt -128.71 129.39 68.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 111.968 0.358 . . . . 10.0 111.968 -179.046 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -89.61 125.93 35.43 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 107.207 -1.405 . . . . 10.0 107.207 177.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -142.45 -177.61 5.36 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 113.57 0.952 . . . . 10.0 113.57 -177.392 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 20.8 t -168.84 121.29 0.79 Allowed 'General case' 0 C--O 1.24 0.557 0 CA-C-N 114.92 -1.036 . . . . 10.0 109.142 179.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 146' ' ' ALA . . . . . 0.743 ' HB2' HD23 ' B' ' 19' ' ' LEU . . . -70.84 -23.0 62.25 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.094 0.473 . . . . 10.0 110.067 -179.524 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 28.3 tttt -73.44 -46.73 46.72 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.636 -0.711 . . . . 10.0 110.974 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -78.26 -15.14 59.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.596 -0.274 . . . . 10.0 111.472 -179.704 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.54 38.95 18.62 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 121.226 0.536 . . . . 10.0 110.22 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -112.22 126.65 55.46 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.392 -0.822 . . . . 10.0 111.1 -179.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 70.27 16.2 73.09 Favored Glycine 0 N--CA 1.452 -0.298 0 CA-C-N 116.084 -0.507 . . . . 10.0 113.033 179.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 86.5 t -59.08 -60.94 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.93 0.395 . . . . 10.0 110.909 -179.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -69.55 -30.8 68.68 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.85 -0.614 . . . . 10.0 110.573 -179.306 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.97 -37.23 73.8 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.059 -0.519 . . . . 10.0 111.773 -179.238 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -63.15 -50.53 70.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.361 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -67.34 -39.97 85.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.927 -0.579 . . . . 10.0 110.719 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 157' ' ' TYR . . . . . 0.665 ' HA ' HD13 ' B' ' 46' ' ' ILE . 2.9 m-85 -58.07 -47.59 82.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.723 179.205 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 65.5 m -64.15 -40.44 96.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.833 -0.622 . . . . 10.0 111.231 179.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 159' ' ' LEU . . . . . 0.538 HD22 ' HB2' ' B' ' 79' ' ' LEU . 61.9 tp -58.87 -50.04 75.5 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.337 -0.392 . . . . 10.0 111.001 179.693 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.8 -42.13 91.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.212 0.529 . . . . 10.0 110.371 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 161' ' ' ARG . . . . . 0.676 ' HG2' ' HG3' ' C' ' 135' ' ' ARG . 9.8 ttp180 -62.46 -32.73 73.65 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.795 -0.639 . . . . 10.0 110.996 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -68.81 -34.81 76.14 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.938 0.399 . . . . 10.0 110.088 178.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 163' ' ' ILE . . . . . 0.407 HD11 ' HA3' ' B' ' 77' ' ' GLY . 55.5 mt -67.5 -38.92 81.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 108.525 -0.917 . . . . 10.0 108.525 178.398 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 72.8 mtt180 -60.81 -40.65 93.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.456 -0.793 . . . . 10.0 108.979 178.106 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 165' ' ' LYS . . . . . 0.481 ' HE3' ' HG2' ' C' ' 135' ' ' ARG . 31.2 ttmt -60.59 -47.1 87.69 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.283 -0.871 . . . . 10.0 110.049 178.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -59.54 -53.73 54.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.664 -0.698 . . . . 10.0 111.385 -179.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -62.02 -38.76 89.89 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.404 -0.362 . . . . 10.0 111.863 -179.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -66.83 -51.73 52.1 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.867 0.365 . . . . 10.0 110.838 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 169' ' ' LYS . . . . . 0.458 ' HB3' ' HE2' ' B' ' 169' ' ' LYS . 31.7 mtpt -65.78 -36.95 84.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.354 -0.384 . . . . 10.0 111.419 -179.454 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 43.9 mmm -66.86 -23.13 65.98 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 112.161 0.43 . . . . 10.0 112.161 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 68.9 m -65.89 -16.19 63.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.98 0.419 . . . . 10.0 110.573 179.447 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 23.2 mtpt -105.9 -2.19 23.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.132 -0.485 . . . . 10.0 109.99 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 173' ' ' ASP . . . . . . . . . . . . . 5.4 t70 68.69 -74.92 0.07 Allowed 'General case' 0 N--CA 1.472 0.656 0 O-C-N 123.841 0.713 . . . . 10.0 110.896 -178.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . -142.02 -60.38 0.03 OUTLIER Glycine 0 N--CA 1.444 -0.787 0 N-CA-C 109.625 -1.39 . . . . 10.0 109.625 178.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 175' ' ' LYS . . . . . . . . . . . . . 19.9 tptp 58.33 -93.06 0.04 OUTLIER 'General case' 0 C--O 1.231 0.112 0 C-N-CA 123.245 0.618 . . . . 10.0 111.892 179.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 176' ' ' LYS . . . . . . . . . . . . . 12.8 tptt 64.37 98.17 0.04 OUTLIER 'General case' 0 C--O 1.234 0.243 0 N-CA-C 112.579 0.585 . . . . 10.0 112.579 179.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 177' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -72.22 115.62 11.67 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.741 -0.663 . . . . 10.0 109.699 179.16 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 178' ' ' LYS . . . . . 0.505 ' HD2' ' O ' ' B' ' 179' ' ' LYS . 0.0 OUTLIER -171.34 -169.79 0.76 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.152 -0.477 . . . . 10.0 110.614 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 179' ' ' LYS . . . . . 0.505 ' O ' ' HD2' ' B' ' 178' ' ' LYS . 0.7 OUTLIER -91.54 -172.31 3.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.416 179.718 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 180' ' ' LYS . . . . . 0.569 ' HG3' ' H ' ' B' ' 181' ' ' SER . 15.3 pttm -40.19 -66.07 0.34 Allowed 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 112.985 0.735 . . . . 10.0 112.985 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 181' ' ' SER . . . . . 0.569 ' H ' ' HG3' ' B' ' 180' ' ' LYS . 46.0 m -142.65 34.57 1.43 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.206 -0.664 . . . . 10.0 109.206 179.14 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? 70.87 -144.37 0.07 Allowed 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.329 -0.85 . . . . 10.0 109.783 -178.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 1.8 m -138.36 89.49 2.39 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.89 -0.411 . . . . 10.0 109.89 179.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 184' ' ' LYS . . . . . 0.666 ' H ' ' C3 ' ' C' ' 214' ' ' 17F . 60.8 mmtt . . . . . 0 C--N 1.325 -0.468 0 CA-C-O 120.825 0.345 . . . . 10.0 111.032 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 CA--C 1.532 0.267 0 CA-C-O 121.056 0.455 . . . . 10.0 110.511 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 2' ' ' THR . . . . . 0.469 ' HB ' ' CE2' ' C' ' 4' ' ' TYR . 0.0 OUTLIER -92.59 136.69 33.01 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.944 -0.571 . . . . 10.0 109.522 179.88 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -106.14 130.42 54.03 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.873 0.368 . . . . 10.0 111.385 -179.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 4' ' ' TYR . . . . . 0.544 ' HE2' ' HB3' ' C' ' 51' ' ' CYS . 53.4 m-85 -120.01 117.81 29.0 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.147 -0.479 . . . . 10.0 109.841 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 5' ' ' LYS . . . . . 0.513 ' HA ' ' HB3' ' C' ' 54' ' ' ASP . 66.5 mttm -90.63 117.39 29.25 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.864 0.364 . . . . 10.0 110.304 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -127.19 137.07 52.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.084 0.469 . . . . 10.0 111.037 -178.511 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 24.9 t -118.46 132.28 68.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.382 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.489 HG13 HD23 ' C' ' 79' ' ' LEU . 10.6 t -91.6 129.59 42.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 109.949 -0.389 . . . . 10.0 109.949 179.405 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 8.8 m -119.45 165.75 14.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.054 0.454 . . . . 10.0 111.381 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 131.68 163.61 10.86 Favored Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 111.202 -0.759 . . . . 10.0 111.202 -179.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.44 176.93 4.94 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.099 0.476 . . . . 10.0 111.088 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -79.17 144.9 34.02 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.151 0.5 . . . . 10.0 110.769 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 87.29 -2.01 86.45 Favored Glycine 0 N--CA 1.448 -0.502 0 CA-C-N 115.821 -0.627 . . . . 10.0 113.744 179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 14' ' ' VAL . . . . . 0.412 ' CG2' ' HG3' ' C' ' 16' ' ' LYS . 20.2 m -75.1 -28.97 21.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 117.681 0.741 . . . . 10.0 112.216 -179.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . 0.669 ' HA2' ' C8 ' ' C' ' 201' ' ' GSP . . . 117.93 14.72 6.53 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.549 -0.834 . . . . 10.0 113.714 178.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . 0.412 ' HG3' ' CG2' ' C' ' 14' ' ' VAL . 47.2 mtpt -53.81 -58.9 5.55 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.157 0.428 . . . . 10.0 112.157 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 17' ' ' SER . . . . . 0.502 ' HB2' ' O1A' ' C' ' 201' ' ' GSP . 16.4 m -66.39 -33.21 75.2 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.776 0.658 . . . . 10.0 112.776 -178.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.33 -40.04 85.07 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.644 -0.502 . . . . 10.0 109.644 179.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 19' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' C' ' 15' ' ' GLY . 90.5 mt -68.78 -40.06 79.85 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 115.698 -0.683 . . . . 10.0 110.681 179.605 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.0 -43.69 86.98 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.449 -0.341 . . . . 10.0 110.597 179.739 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 86.0 mt -64.68 -38.67 83.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.401 -0.363 . . . . 10.0 111.314 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 22' ' ' GLN . . . . . 0.494 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 3.8 mm-40 -66.76 -25.84 66.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.183 0.516 . . . . 10.0 110.895 179.32 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 16.2 tp -87.49 -43.68 11.87 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.004 -0.544 . . . . 10.0 111.185 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 44.4 mm -80.19 -68.11 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 112.483 0.549 . . . . 10.0 112.483 -178.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -78.87 -24.95 43.93 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.115 0.413 . . . . 10.0 112.115 -178.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 26' ' ' ASN . . . . . 0.494 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 66.8 t30 72.96 51.36 0.14 Allowed 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 113.053 0.761 . . . . 10.0 113.053 178.418 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 9.6 p80 -157.36 164.71 37.28 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.01 178.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 28' ' ' PHE . . . . . 0.545 ' HZ ' ' C2 ' ' C' ' 201' ' ' GSP . 26.5 t80 -101.56 141.97 33.63 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 120.941 0.401 . . . . 10.0 111.089 -179.242 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 3.7 m -108.25 131.73 57.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.46 179.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -98.24 -8.31 27.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.684 0.754 . . . . 10.0 109.873 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -95.69 143.31 27.07 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.391 -0.822 . . . . 10.0 110.775 -179.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 32' ' ' TYR . . . . . 0.902 ' HA ' " H3'" ' C' ' 201' ' ' GSP . 90.0 t80 -78.57 122.37 25.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.334 -0.394 . . . . 10.0 110.477 179.331 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -111.87 103.86 55.56 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 120.739 0.304 . . . . 10.0 111.586 -179.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -80.43 67.55 8.59 Favored 'Trans proline' 0 CA--C 1.532 0.379 0 C-N-CA 123.176 2.584 . . . . 10.0 111.769 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.2 130.3 41.1 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.196 -0.456 . . . . 10.0 111.282 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . 0.9 ' HA ' ' HB2' ' C' ' 59' ' ' ALA . 48.1 mm -87.02 -40.02 13.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 109.372 -0.603 . . . . 10.0 109.372 179.313 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 37' ' ' GLU . . . . . 0.46 ' HG2' HD11 ' C' ' 56' ' ' LEU . 4.3 tt0 -172.45 104.76 0.16 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.387 -0.824 . . . . 10.0 109.826 179.686 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -130.23 136.8 49.6 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.899 -0.408 . . . . 10.0 109.899 179.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 39' ' ' SER . . . . . 0.438 ' HB2' ' NH1' ' C' ' 41' ' ' ARG . 2.9 p -114.58 134.74 54.81 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 112.136 0.421 . . . . 10.0 112.136 -178.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -125.52 143.63 50.92 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.681 -0.69 . . . . 10.0 110.122 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . 0.438 ' NH1' ' HB2' ' C' ' 39' ' ' SER . 0.8 OUTLIER -127.54 134.87 49.74 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.356 -0.384 . . . . 10.0 110.469 179.852 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 54.9 tttt -149.04 140.16 23.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.425 179.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -93.81 120.53 34.2 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.548 -0.538 . . . . 10.0 109.548 179.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 18.6 m -130.9 162.39 39.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.283 0.563 . . . . 10.0 111.389 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 21.1 t -105.81 108.66 25.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.738 -0.664 . . . . 10.0 109.412 179.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 63.6 mt -114.63 116.93 54.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.163 -0.471 . . . . 10.0 110.746 -179.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 47' ' ' ASP . . . . . 0.664 ' HA ' ' HB2' ' B' ' 128' ' ' LYS . 33.8 m-20 71.57 -11.08 0.76 Allowed 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 115.647 -0.706 . . . . 10.0 112.011 179.451 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 129.38 -16.43 5.69 Favored Glycine 0 N--CA 1.449 -0.445 0 N-CA-C 111.348 -0.701 . . . . 10.0 111.348 -179.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 49' ' ' GLU . . . . . 0.495 ' HB3' ' NH2' ' C' ' 164' ' ' ARG . 16.7 tt0 -94.55 122.63 37.33 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-O 120.747 0.308 . . . . 10.0 110.466 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -73.04 117.51 14.85 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.094 -0.706 . . . . 10.0 109.094 179.079 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 51' ' ' CYS . . . . . 0.544 ' HB3' ' HE2' ' C' ' 4' ' ' TYR . 0.1 OUTLIER -129.35 153.8 47.52 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 112.623 0.601 . . . . 10.0 112.623 -178.171 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 60.3 tp -101.82 124.08 46.85 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.095 -0.957 . . . . 10.0 108.908 178.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . 0.422 ' O ' ' HA ' ' C' ' 41' ' ' ARG . 37.1 mt -96.89 122.22 39.63 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 112.51 0.559 . . . . 10.0 112.51 -179.219 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . 0.513 ' HB3' ' HA ' ' C' ' 5' ' ' LYS . 22.0 t70 -103.09 93.01 4.78 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.613 -1.254 . . . . 10.0 107.613 177.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 1.1 mp -100.18 131.57 47.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.506 -0.316 . . . . 10.0 111.834 -178.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . 0.46 HD11 ' HG2' ' C' ' 37' ' ' GLU . 32.0 tp -118.54 121.24 39.77 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.124 -0.489 . . . . 10.0 111.179 179.539 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -97.32 104.81 16.87 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.037 -0.727 . . . . 10.0 109.037 178.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 28.6 p -95.75 156.6 16.26 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.619 -0.264 . . . . 10.0 110.612 -179.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 59' ' ' ALA . . . . . 0.9 ' HB2' ' HA ' ' C' ' 36' ' ' ILE . . . -64.48 138.13 58.25 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.089 0.471 . . . . 10.0 110.954 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -98.79 23.8 34.85 Favored Glycine 0 N--CA 1.448 -0.535 0 N-CA-C 111.272 -0.731 . . . . 10.0 111.272 179.149 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -83.62 -1.55 54.16 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 111.588 0.218 . . . . 10.0 111.588 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 62' ' ' GLU . . . . . 0.412 ' HB3' ' H ' ' C' ' 63' ' ' GLU . 32.5 mm-40 58.32 -160.7 0.26 Allowed 'General case' 0 C--O 1.233 0.226 0 N-CA-C 112.275 0.472 . . . . 10.0 112.275 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 63' ' ' GLU . . . . . 0.412 ' H ' ' HB3' ' C' ' 62' ' ' GLU . 24.6 tt0 77.58 -16.71 0.63 Allowed 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.365 0.666 . . . . 10.0 111.476 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 64' ' ' TYR . . . . . 0.705 ' HB3' ' HB3' ' C' ' 67' ' ' MET . 28.6 m-85 -77.64 73.26 4.21 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.035 -0.53 . . . . 10.0 111.207 -179.456 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 1.8 p -76.4 -16.49 59.7 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.056 -0.52 . . . . 10.0 111.843 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -116.35 -36.97 3.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.488 -0.324 . . . . 10.0 111.504 -179.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 67' ' ' MET . . . . . 0.705 ' HB3' ' HB3' ' C' ' 64' ' ' TYR . 20.6 ttt -64.5 -28.83 69.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.045 0.45 . . . . 10.0 110.601 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 68' ' ' ARG . . . . . 0.606 ' HA ' ' CZ ' ' C' ' 71' ' ' TYR . 1.3 tpp180 -62.11 -43.33 99.07 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.894 -0.594 . . . . 10.0 111.907 -179.014 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -57.49 -36.23 71.24 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.3 -0.409 . . . . 10.0 110.999 -179.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -55.54 -56.31 21.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.842 -0.617 . . . . 10.0 112.366 -179.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 71' ' ' TYR . . . . . 0.606 ' CZ ' ' HA ' ' C' ' 68' ' ' ARG . 19.4 p90 -79.51 -24.33 42.32 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 113.697 0.999 . . . . 10.0 113.697 -178.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 72' ' ' MET . . . . . 0.482 ' SD ' ' HG2' ' C' ' 99' ' ' GLN . 27.3 mtt -69.13 -36.15 77.16 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.113 0.482 . . . . 10.0 110.423 179.226 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 29.5 ttm105 -73.2 -35.0 66.27 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.352 0.596 . . . . 10.0 110.411 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 6.3 m -76.27 -48.04 21.63 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.305 -0.862 . . . . 10.0 112.874 -178.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.74 148.87 51.48 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 121.376 -0.44 . . . . 10.0 113.856 -178.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -102.01 -41.17 6.54 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.227 0.537 . . . . 10.0 109.605 179.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -116.89 145.62 18.72 Favored Glycine 0 N--CA 1.447 -0.587 0 N-CA-C 110.712 -0.955 . . . . 10.0 110.712 178.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 78' ' ' PHE . . . . . 0.463 ' HB2' ' HG2' ' C' ' 111' ' ' MET . 88.8 m-85 -121.14 126.34 49.49 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 117.194 0.497 . . . . 10.0 112.158 -179.015 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . 0.489 HD23 HG13 ' C' ' 8' ' ' VAL . 13.6 tp -93.06 99.53 12.12 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.293 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 36.7 m -87.63 101.06 13.28 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.122 0.487 . . . . 10.0 110.551 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 40.4 t -109.99 136.32 46.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.855 -0.612 . . . . 10.0 110.036 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 35.8 p90 -132.06 149.97 52.27 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.929 0.395 . . . . 10.0 110.67 179.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -81.38 128.42 33.83 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.957 -0.565 . . . . 10.0 109.622 179.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 84' ' ' ILE . . . . . . . . . . . . . 1.5 pp -73.0 -10.79 14.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.954 0.407 . . . . 10.0 111.36 -179.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 21.0 p-10 -100.16 -1.6 36.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.295 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -133.68 112.59 11.54 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.203 0.525 . . . . 10.0 111.524 -179.269 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.6 -28.98 68.93 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.674 -0.694 . . . . 10.0 112.302 -179.311 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 26.0 tptp -57.81 -43.59 85.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.408 -0.36 . . . . 10.0 110.67 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -32.64 73.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.246 -0.434 . . . . 10.0 111.526 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -71.16 -33.29 69.89 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.843 0.354 . . . . 10.0 110.755 -179.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -79.24 -26.54 42.44 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.068 0.461 . . . . 10.0 110.515 179.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -67.27 -21.4 65.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.979 -0.555 . . . . 10.0 111.267 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 46.9 mm -57.75 -41.73 80.22 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-N 116.342 -0.39 . . . . 10.0 110.258 179.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -66.09 -44.01 85.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.224 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 55.1 m-70 -59.89 -42.04 92.92 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.101 0.477 . . . . 10.0 110.075 179.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -65.57 -49.74 67.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.677 -0.692 . . . . 10.0 110.344 179.06 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 18.6 ttt180 -54.24 -47.06 72.65 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.415 -0.812 . . . . 10.0 111.854 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -62.4 -35.29 78.75 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 116.305 -0.407 . . . . 10.0 111.899 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 99' ' ' GLN . . . . . 0.482 ' HG2' ' SD ' ' C' ' 72' ' ' MET . 54.3 tt0 -75.82 -38.72 57.83 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.82 -0.352 . . . . 10.0 110.333 179.204 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 52.3 mt -56.52 -46.17 82.32 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 CA-C-N 116.01 -0.541 . . . . 10.0 109.943 179.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 101' ' ' LYS . . . . . 0.442 ' HB2' ' HE3' ' C' ' 101' ' ' LYS . 27.5 mtmt -72.47 -25.19 61.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.722 -0.672 . . . . 10.0 111.198 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -75.17 -49.51 19.24 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.295 -179.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 103' ' ' VAL . . . . . 0.426 HG23 ' O ' ' C' ' 99' ' ' GLN . 42.2 t -66.1 -39.61 84.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.21 -0.45 . . . . 10.0 111.837 -179.203 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 5.8 tttp -87.08 -16.48 35.42 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.268 0.47 . . . . 10.0 112.268 -179.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 28.8 t70 60.56 56.67 3.0 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.442 0.639 . . . . 10.0 111.358 -179.284 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 1.9 t -166.93 143.93 4.68 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.763 -0.653 . . . . 10.0 110.222 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 -83.8 -37.19 22.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.94 0.4 . . . . 10.0 110.634 -179.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -86.75 105.84 17.25 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.972 -0.558 . . . . 10.0 111.355 -179.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 45.1 t -135.29 135.89 23.43 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.538 -0.756 . . . . 10.0 109.131 179.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_exo -64.38 106.74 0.74 Allowed 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.849 2.366 . . . . 10.0 111.427 179.219 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 111' ' ' MET . . . . . 0.463 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 57.4 mtm -142.02 144.86 33.84 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.635 -179.439 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 60.9 t -134.23 128.4 52.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 109.146 -0.687 . . . . 10.0 109.146 179.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 24.5 tp -82.74 121.6 27.1 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.152 -0.684 . . . . 10.0 109.152 179.413 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 21.7 t -115.9 129.91 71.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.003 0.43 . . . . 10.0 111.826 -178.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -109.91 123.8 6.9 Favored Glycine 0 N--CA 1.446 -0.66 0 N-CA-C 109.799 -1.32 . . . . 10.0 109.799 178.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -112.86 157.91 20.81 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.983 0.391 . . . . 10.0 111.311 -179.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt 71.86 29.59 2.43 Favored 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 123.295 0.638 . . . . 10.0 112.64 179.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 118' ' ' CYS . . . . . . . . . . . . . 68.2 m -72.73 -3.41 25.03 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.889 0.376 . . . . 10.0 111.762 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -85.87 -19.07 31.13 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.321 179.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 83.7 mt -85.35 143.5 39.18 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.653 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -78.02 172.66 15.18 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.748 2.299 . . . . 10.0 111.346 179.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 16.0 m 64.6 61.71 0.82 Allowed 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.2 0.524 . . . . 10.0 111.844 179.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -83.76 154.6 23.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.835 179.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 1.4 m -99.79 -48.39 4.72 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.145 -0.48 . . . . 10.0 111.787 -179.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 77.7 t -91.59 127.24 44.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.938 0.399 . . . . 10.0 110.713 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 126' ' ' ASP . . . . . 0.47 ' HB3' ' HG2' ' C' ' 129' ' ' GLN . 9.2 t70 -70.75 142.19 51.44 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.361 -0.607 . . . . 10.0 109.361 179.435 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 7.5 m -56.78 -33.38 66.58 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.794 0.33 . . . . 10.0 110.575 179.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 128' ' ' LYS . . . . . 0.62 ' HB3' ' HA ' ' B' ' 47' ' ' ASP . 30.8 mttp -63.35 -55.78 21.74 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 115.959 -0.564 . . . . 10.0 111.153 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 129' ' ' GLN . . . . . 0.47 ' HG2' ' HB3' ' C' ' 126' ' ' ASP . 3.0 pt20 -62.88 -31.99 73.15 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.81 0.338 . . . . 10.0 111.583 -179.607 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.03 -47.16 72.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.078 179.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 131' ' ' GLN . . . . . 0.726 ' HG3' ' HD2' ' C' ' 141' ' ' PHE . 17.4 mt-30 -71.9 -28.74 63.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.384 179.335 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 132' ' ' ASP . . . . . 0.533 ' HA ' ' HD2' ' B' ' 161' ' ' ARG . 5.4 t70 -68.29 -42.03 80.11 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.319 178.731 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 10.3 tp -59.6 -44.53 93.35 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 109.291 -0.633 . . . . 10.0 109.291 179.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.84 -37.39 87.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.626 -0.715 . . . . 10.0 110.068 179.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 135' ' ' ARG . . . . . 0.676 ' HG3' ' HG2' ' B' ' 161' ' ' ARG . 5.7 tmm_? -60.91 -39.68 90.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.662 -0.699 . . . . 10.0 110.316 179.197 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 17.1 m -69.84 -26.24 64.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.701 -0.681 . . . . 10.0 111.39 -179.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 137' ' ' TYR . . . . . 0.603 ' HB2' HG12 ' C' ' 139' ' ' ILE . 23.4 m-30 -90.8 -14.38 32.03 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.971 0.415 . . . . 10.0 110.692 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 76.41 31.05 55.74 Favored Glycine 0 N--CA 1.451 -0.35 0 N-CA-C 110.736 -0.946 . . . . 10.0 110.736 -178.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 139' ' ' ILE . . . . . 0.603 HG12 ' HB2' ' C' ' 137' ' ' TYR . 47.4 pt -126.24 162.56 45.41 Favored Pre-proline 0 C--N 1.327 -0.384 0 N-CA-C 109.902 -0.407 . . . . 10.0 109.902 -179.139 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 140' ' ' PRO . . . . . 0.408 ' HD2' ' HB ' ' C' ' 139' ' ' ILE . 94.1 Cg_endo -87.04 155.49 8.43 Favored 'Trans proline' 0 CA--C 1.533 0.453 0 C-N-CA 122.456 2.104 . . . . 10.0 112.801 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 141' ' ' PHE . . . . . 0.726 ' HD2' ' HG3' ' C' ' 131' ' ' GLN . 63.3 t80 -136.42 122.34 20.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.9 -0.591 . . . . 10.0 109.556 178.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 3.6 mp -124.98 130.0 73.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 120.885 0.374 . . . . 10.0 111.346 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -80.83 131.73 35.42 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 108.91 -0.774 . . . . 10.0 108.91 178.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 77.3 p -134.86 176.41 8.68 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.274 0.559 . . . . 10.0 112.055 -177.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 12.7 t -151.89 117.24 5.3 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.29 -0.868 . . . . 10.0 108.865 178.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 146' ' ' ALA . . . . . 0.41 ' HB2' HD23 ' C' ' 19' ' ' LEU . . . -72.61 -24.69 61.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.099 0.475 . . . . 10.0 110.433 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -65.82 -48.68 70.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.621 -0.718 . . . . 10.0 110.573 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 26.8 p -90.21 -15.84 30.63 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.922 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 23.1 ttt-85 62.71 44.48 6.54 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 115.364 -0.835 . . . . 10.0 111.023 -179.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -112.71 113.75 26.01 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.002 -0.545 . . . . 10.0 110.522 -179.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 94.14 -18.98 55.72 Favored Glycine 0 CA--C 1.518 0.226 0 C-N-CA 121.058 -0.591 . . . . 10.0 112.855 179.152 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 13.3 t -60.39 -40.22 83.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.72 0.295 . . . . 10.0 111.417 -179.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.12 -52.32 63.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.25 0.548 . . . . 10.0 110.699 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 154' ' ' ASP . . . . . 0.46 ' HA ' ' CD2' ' C' ' 157' ' ' TYR . 16.8 t70 -66.01 -30.01 70.47 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.622 -0.717 . . . . 10.0 112.07 -178.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -57.13 -42.05 80.19 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.988 0.423 . . . . 10.0 110.494 179.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -68.76 -39.82 80.05 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.818 -0.628 . . . . 10.0 109.917 179.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 157' ' ' TYR . . . . . 0.46 ' CD2' ' HA ' ' C' ' 154' ' ' ASP . 8.6 m-30 -64.71 -36.81 85.49 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.866 -0.606 . . . . 10.0 110.636 179.639 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 31.9 m -60.16 -42.56 95.17 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 116.187 -0.46 . . . . 10.0 111.074 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 159' ' ' LEU . . . . . 0.41 ' O ' HG13 ' C' ' 163' ' ' ILE . 17.6 tp -61.14 -39.91 91.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.175 0.512 . . . . 10.0 109.746 179.189 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 79.7 t -66.72 -40.0 85.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.643 -0.708 . . . . 10.0 109.541 178.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.01 -38.85 87.53 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.592 -0.731 . . . . 10.0 109.783 179.021 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -67.51 -39.92 85.14 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.732 -0.667 . . . . 10.0 110.685 179.079 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 163' ' ' ILE . . . . . 0.41 HG13 ' O ' ' C' ' 159' ' ' LEU . 97.9 mt -62.27 -43.6 98.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 N-CA-C 109.058 -0.719 . . . . 10.0 109.058 178.528 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 164' ' ' ARG . . . . . 0.495 ' NH2' ' HB3' ' C' ' 49' ' ' GLU . 97.6 mtt180 -62.66 -44.5 96.11 Favored 'General case' 0 C--O 1.232 0.175 0 N-CA-C 109.056 -0.72 . . . . 10.0 109.056 178.564 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 165' ' ' LYS . . . . . 0.488 ' HE3' ' HG2' ' B' ' 135' ' ' ARG . 29.2 ttmt -58.92 -49.53 77.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.116 -0.947 . . . . 10.0 110.502 179.321 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -57.63 -51.54 69.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.789 -0.642 . . . . 10.0 111.382 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -63.78 -39.76 95.04 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.583 0.586 . . . . 10.0 112.583 -179.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -66.58 -47.34 73.07 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.942 0.401 . . . . 10.0 110.62 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 49.0 mtpt -68.42 -32.8 73.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.09 -0.505 . . . . 10.0 110.715 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 23.6 ttm -66.2 -26.25 67.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.976 -0.556 . . . . 10.0 110.756 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 26.0 m -71.86 -11.64 60.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.005 -0.543 . . . . 10.0 111.344 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 61.0 mtpt -101.04 -13.07 18.37 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.735 -0.468 . . . . 10.0 109.735 179.062 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 173' ' ' ASP . . . . . . . . . . . . . 14.8 t70 71.37 -61.93 0.47 Allowed 'General case' 0 C--O 1.237 0.404 0 CA-C-N 115.569 -0.741 . . . . 10.0 112.908 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . 129.73 -35.1 2.62 Favored Glycine 0 N--CA 1.451 -0.339 0 N-CA-C 111.741 -0.544 . . . . 10.0 111.741 -179.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 175' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -115.32 -32.11 5.74 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.102 0.477 . . . . 10.0 110.542 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 176' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -68.83 -25.85 64.87 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.726 -0.67 . . . . 10.0 112.418 -179.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 177' ' ' LYS . . . . . . . . . . . . . 41.2 tptt -96.12 -77.85 0.47 Allowed 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.277 -0.569 . . . . 10.0 112.319 -179.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 178' ' ' LYS . . . . . 0.505 ' HE2' ' H1 ' ' C' ' 215' ' ' 17F . 28.0 mtpp 62.41 71.66 0.52 Allowed 'General case' 0 N--CA 1.466 0.325 0 O-C-N 123.329 0.393 . . . . 10.0 111.431 -179.495 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 179' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -91.79 98.67 11.76 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.908 0.385 . . . . 10.0 110.84 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 180' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -160.67 109.14 1.62 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.794 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 2.5 p -168.41 -179.43 3.94 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.526 -0.761 . . . . 10.0 109.035 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 182' ' ' LYS . . . . . 0.496 ' HA ' ' HE3' ' C' ' 182' ' ' LYS . 0.0 OUTLIER -103.1 -64.9 1.04 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.621 0.248 . . . . 10.0 110.622 179.6 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.49 -64.0 1.11 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.415 -0.357 . . . . 10.0 110.734 179.353 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 184' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt . . . . . 0 C--O 1.236 0.394 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.645 -179.984 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 401' ' ' PCW . . . . . 1.08 H252 H281 ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 402' ' ' PCW . . . . . 1.1 ' H82' ' H32' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 403' ' ' PCW . . . . . 1.079 H171 H122 ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 404' ' ' PCW . . . . . 1.145 H351 ' O31' ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 405' ' ' PCW . . . . . 0.96 H162 ' HZ ' ' A' ' 214' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 406' ' ' PCW . . . . . 1.12 H351 ' H8A' ' B' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 407' ' ' PCW . . . . . 1.117 H212 ' C17' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 408' ' ' PCW . . . . . 1.04 H152 H232 ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 409' ' ' PCW . . . . . 1.238 ' C19' H142 ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 410' ' ' PCW . . . . . 1.055 H371 ' C6 ' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 411' ' ' PCW . . . . . 1.04 H232 H152 ' A' ' 408' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 412' ' ' PCW . . . . . 1.034 H451 H182 ' C' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 413' ' ' PCW . . . . . 1.064 H422 H462 ' C' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 414' ' ' PCW . . . . . 1.064 ' C34' ' H57' ' A' ' 415' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 415' ' ' 17F . . . . . 1.064 ' H57' ' C34' ' A' ' 414' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 416' ' ' 17F . . . . . 1.033 ' H65' H262 ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 417' ' ' PCW . . . . . 0.992 ' H19' H431 ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 418' ' ' PCW . . . . . 0.943 H332 H132 ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 419' ' ' PCW . . . . . 0.94 ' H63' ' C31' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 420' ' ' PCW . . . . . 1.055 ' C37' H431 ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 421' ' ' PCW . . . . . 1.003 H122 ' H9 ' ' D' ' 630' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 422' ' ' 17F . . . . . 1.034 ' H66' H422 ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 601' ' ' PCW . . . . . 1.009 H421 H461 ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 602' ' ' PCW . . . . . 1.056 H221 H172 ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 603' ' ' PCW . . . . . 1.071 ' H2 ' ' C4 ' ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 604' ' ' PCW . . . . . 0.963 H482 H282 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 605' ' ' PCW . . . . . 1.044 ' O1P' ' H52' ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 606' ' ' PCW . . . . . 1.102 H212 ' C17' ' D' ' 606' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 607' ' ' PCW . . . . . 1.051 ' H12' H351 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 608' ' ' PCW . . . . . 1.075 ' C19' ' H46' ' D' ' 629' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 609' ' ' PCW . . . . . 1.079 H452 ' H20' ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 610' ' ' PCW . . . . . 0.806 ' C20' H241 ' D' ' 610' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 611' ' ' PCW . . . . . 1.008 H351 H222 ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 612' ' ' PCW . . . . . 1.016 H251 H472 ' A' ' 401' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 613' ' ' PCW . . . . . 1.015 H212 H172 ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 614' ' ' PCW . . . . . 1.044 ' H52' ' O1P' ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 615' ' ' PCW . . . . . 1.08 H281 H252 ' A' ' 401' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 616' ' ' PCW . . . . . 1.046 ' H61' ' H2 ' ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 617' ' ' PCW . . . . . 1.066 ' H39' ' C14' ' D' ' 619' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 618' ' ' PCW . . . . . 1.055 H431 ' C37' ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 619' ' ' PCW . . . . . 1.066 ' C14' ' H39' ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 620' ' ' PCW . . . . . 1.025 H471 H482 ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 621' ' ' PCW . . . . . 1.112 H372 H412 ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 622' ' ' PCW . . . . . 1.05 ' H19' ' H5 ' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 623' ' ' PCW . . . . . 1.065 H322 ' C36' ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 624' ' ' PCW . . . . . 0.976 ' H20' ' C24' ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 625' ' ' PCW . . . . . 1.051 ' H12' ' H32' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 626' ' ' PCW . . . . . 1.302 H251 ' C20' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 627' ' ' PCW . . . . . 1.024 ' H20' ' C35' ' C' ' 217' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 628' ' ' 17F . . . . . 1.052 ' H34' H431 ' D' ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 629' ' ' 17F . . . . . 1.075 ' H46' ' C19' ' D' ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 630' ' ' 17F . . . . . 1.003 ' H9 ' H122 ' A' ' 421' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 631' ' ' 17F . . . . . 1.05 ' H5 ' ' H19' ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 632' ' ' 17F . . . . . 0.941 ' C3 ' ' H51' ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 201' ' ' GSP . . . . . 0.812 H5'1 ' HA2' ' B' ' 13' ' ' GLY . . . . . . . . 0 O4'--C1' 1.438 1.98 2 O4'-C1'-N19 113.287 5.087 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 202' ' ' ' MG' . . . . . 0.621 'MG ' ' O3G' ' B' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 203' ' ' PCW . . . . . 0.931 ' H42' H331 ' C' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 204' ' ' PCW . . . . . 1.058 H211 ' C17' ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 205' ' ' PCW . . . . . 1.087 H231 H241 ' C' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 206' ' ' PCW . . . . . 1.045 ' H31' ' C4 ' ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 207' ' ' PCW . . . . . 1.092 ' C19' ' H19' ' B' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 208' ' ' PCW . . . . . 1.079 H321 ' H63' ' C' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 209' ' ' 17F . . . . . 1.005 H12A H471 ' A' ' 414' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 210' ' ' 17F . . . . . 1.092 ' H19' ' C19' ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 211' ' ' 17F . . . . . 1.12 ' H8A' H351 ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 201' ' ' GSP . . . . . 0.902 " H3'" ' HA ' ' C' ' 32' ' ' TYR . . . . . . . . 0 O4'--C1' 1.44 2.14 2 O4'-C1'-N19 113.134 4.934 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 202' ' ' ' MG' . . . . . 0.628 'MG ' ' O3G' ' C' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 203' ' ' PCW . . . . . 1.004 H132 H171 ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 204' ' ' PCW . . . . . 1.099 H242 ' H20' ' C' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 205' ' ' PCW . . . . . 0.876 ' H19' ' C23' ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 206' ' ' PCW . . . . . 1.096 H151 H151 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 207' ' ' PCW . . . . . 1.144 ' O1P' ' H31' ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 208' ' ' PCW . . . . . 1.096 H151 H151 ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 209' ' ' PCW . . . . . 1.032 H262 H222 ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 210' ' ' PCW . . . . . 1.099 ' H20' H242 ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 211' ' ' PCW . . . . . 1.112 ' H51' ' H12' ' C' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 212' ' ' PCW . . . . . 1.076 H241 ' H20' ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 213' ' ' 17F . . . . . 0.997 ' C21' H141 ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 214' ' ' 17F . . . . . 0.666 ' C3 ' ' H ' ' B' ' 184' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 215' ' ' 17F . . . . . 0.993 ' H62' H161 ' C' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 216' ' ' PCW . . . . . 0.947 ' C46' ' H76' ' C' ' 218' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 217' ' ' PCW . . . . . 1.048 H141 ' H33' ' C' ' 219' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 218' ' ' 17F . . . . . 1.169 H18A ' O7 ' ' C' ' 218' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 219' ' ' 17F . . . . . 1.135 ' H39' ' H47' ' C' ' 218' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' LEU . . . . . 0.599 ' HA ' HD12 ' A' ' 204' ' ' LEU . 77.0 mt . . . . . 0 C--O 1.234 0.277 0 CA-C-O 121.019 0.438 . . . . 10.0 110.655 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 6.1 tmtm? -70.6 -43.53 69.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.58 -0.737 . . . . 10.0 110.991 -179.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 203' ' ' LEU . . . . . 0.407 ' O ' ' HB2' ' A' ' 207' ' ' TRP . 74.2 mt -63.93 -33.85 76.64 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.315 -0.402 . . . . 10.0 110.427 179.359 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 204' ' ' LEU . . . . . 0.599 HD12 ' HA ' ' A' ' 201' ' ' LEU . 1.7 mt -67.9 -46.7 70.87 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.508 -0.769 . . . . 10.0 111.112 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -66.67 -45.35 79.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.992 0.425 . . . . 10.0 111.288 -179.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 206' ' ' ASN . . . . . 0.515 ' O ' HG23 ' A' ' 210' ' ' VAL . 2.3 m120 -66.35 -28.61 68.8 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.118 -0.492 . . . . 10.0 111.31 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 207' ' ' TRP . . . . . 0.407 ' HB2' ' O ' ' A' ' 203' ' ' LEU . 15.1 t90 -63.4 -34.66 78.22 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.06 0.457 . . . . 10.0 109.902 179.499 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -67.86 -38.91 83.72 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.287 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 2.0 m -64.6 -32.64 74.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.292 0.568 . . . . 10.0 110.136 179.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 210' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 206' ' ' ASN . 48.1 t -75.98 -45.35 37.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.892 -0.594 . . . . 10.0 110.013 179.241 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 9.9 m -60.63 -43.8 97.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.569 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 3.4 p -62.31 -37.99 87.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.955 0.407 . . . . 10.0 110.205 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 84.8 m -66.56 -40.8 89.17 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.908 -0.587 . . . . 10.0 109.522 178.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 214' ' ' PHE . . . . . 0.444 ' CE1' H162 ' A' ' 405' ' ' PCW . 3.2 m-85 -61.71 -41.83 98.12 Favored 'General case' 0 C--O 1.224 -0.25 0 N-CA-C 109.648 -0.501 . . . . 10.0 109.648 178.553 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 24.3 m -62.32 -45.99 90.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.991 -0.55 . . . . 10.0 109.799 178.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -61.29 -40.21 93.29 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.302 -0.408 . . . . 10.0 109.983 178.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 217' ' ' LEU . . . . . 0.484 ' O ' ' HG ' ' A' ' 221' ' ' LEU . 80.7 mt -65.34 -42.09 93.25 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-N 115.72 -0.673 . . . . 10.0 110.028 179.256 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 218' ' ' ARG . . . . . 0.492 ' HA ' HD12 ' A' ' 221' ' ' LEU . 88.1 mtt180 -65.74 -35.44 80.75 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.321 -0.4 . . . . 10.0 110.948 179.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -67.24 -36.3 81.35 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.642 -0.503 . . . . 10.0 109.642 178.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -76.74 -31.92 57.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.824 -0.626 . . . . 10.0 110.171 179.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 221' ' ' LEU . . . . . 0.492 HD12 ' HA ' ' A' ' 218' ' ' ARG . 33.2 mt -53.84 -36.94 63.1 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.123 179.417 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -55.12 -70.39 0.98 Allowed Glycine 0 C--N 1.33 0.241 0 N-CA-C 111.121 -0.792 . . . . 10.0 111.121 178.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -51.3 -41.71 57.62 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.629 2.219 . . . . 10.0 111.778 178.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 224' ' ' VAL . . . . . 0.56 HG22 ' HD3' ' D' ' 550' ' ' LYS . 54.3 t -57.16 -53.32 44.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-N 116.523 -0.308 . . . . 10.0 111.123 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 11.0 p -65.14 -36.82 85.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.884 0.374 . . . . 10.0 110.996 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -62.41 -49.55 75.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 10.0 110.492 179.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -66.99 -47.49 71.36 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.331 179.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -57.24 -50.95 71.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 10.0 111.585 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -66.16 -34.83 78.93 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.952 0.158 . . . . 10.0 111.358 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -63.14 -46.62 86.36 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.52 -0.548 . . . . 10.0 109.52 178.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 231' ' ' ASN . . . . . 0.551 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 68.9 m-20 -72.6 -34.7 67.57 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.756 -0.656 . . . . 10.0 110.755 178.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 21.0 mt -62.9 -42.2 99.7 Favored 'General case' 0 CA--C 1.52 -0.208 0 N-CA-C 109.773 -0.454 . . . . 10.0 109.773 178.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -64.11 -33.65 76.26 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.307 178.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 234' ' ' LYS . . . . . 0.551 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 80.1 mttt -66.39 -45.52 79.74 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 108.611 -0.885 . . . . 10.0 108.611 177.7 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.41 -46.05 91.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.319 -0.855 . . . . 10.0 109.389 178.566 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 236' ' ' THR . . . . . 0.492 ' O ' ' HG3' ' A' ' 240' ' ' ARG . 2.9 m -67.49 -37.11 82.35 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.831 -0.622 . . . . 10.0 110.735 179.613 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 237' ' ' GLU . . . . . 0.462 ' HG2' HE21 ' A' ' 241' ' ' GLN . 35.7 tt0 -62.41 -44.33 96.68 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 108.766 -0.828 . . . . 10.0 108.766 178.788 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -61.58 -41.48 99.58 Favored Glycine 0 N--CA 1.445 -0.702 0 N-CA-C 110.233 -1.147 . . . . 10.0 110.233 178.117 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 84.1 mt -65.68 -32.18 73.6 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.757 0.313 . . . . 10.0 110.573 179.032 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 240' ' ' ARG . . . . . 0.492 ' HG3' ' O ' ' A' ' 236' ' ' THR . 56.5 mtt180 -70.24 -41.73 73.15 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.896 -0.779 . . . . 10.0 108.896 178.441 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 241' ' ' GLN . . . . . 0.462 HE21 ' HG2' ' A' ' 237' ' ' GLU . 78.2 mt-30 -66.81 -41.95 86.69 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.652 -0.87 . . . . 10.0 108.652 178.273 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -64.31 -32.64 74.32 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 115.468 -0.787 . . . . 10.0 110.265 178.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 243' ' ' MET . . . . . 0.747 ' HG3' HD12 ' A' ' 247' ' ' LEU . 54.2 ttm -54.26 -31.43 53.59 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 122.925 0.49 . . . . 10.0 111.36 -179.766 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 244' ' ' SER . . . . . 0.498 ' HA ' ' HG3' ' A' ' 248' ' ' GLU . 0.8 OUTLIER -65.14 -7.1 10.96 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.19 0.519 . . . . 10.0 110.637 179.512 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 245' ' ' LYS . . . . . 0.735 ' HA ' ' HG3' ' A' ' 249' ' ' GLU . 66.6 mttm -130.95 -52.32 1.05 Allowed 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.914 -0.584 . . . . 10.0 110.01 179.557 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 246' ' ' ASP . . . . . 0.748 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 4.3 t0 -60.86 -13.43 15.54 Favored 'General case' 0 C--O 1.225 -0.21 0 N-CA-C 113.002 0.741 . . . . 10.0 113.002 -179.226 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 247' ' ' LEU . . . . . 0.747 HD12 ' HG3' ' A' ' 243' ' ' MET . 18.8 mt -132.06 -46.88 0.93 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.771 0.32 . . . . 10.0 110.707 178.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 248' ' ' GLU . . . . . 0.498 ' HG3' ' HA ' ' A' ' 244' ' ' SER . 16.0 mt-10 -63.99 -39.97 95.32 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.244 0.461 . . . . 10.0 112.244 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 249' ' ' GLU . . . . . 0.735 ' HG3' ' HA ' ' A' ' 245' ' ' LYS . 52.3 mt-10 -72.39 -29.05 63.4 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.472 -0.566 . . . . 10.0 109.472 179.021 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 250' ' ' VAL . . . . . 0.621 HG11 H252 ' A' ' 412' ' ' PCW . 71.9 t -64.17 -44.22 97.5 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.308 0 N-CA-C 108.775 -0.824 . . . . 10.0 108.775 178.1 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -69.98 -37.19 75.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.306 178.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -64.34 -49.39 71.89 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.196 -0.457 . . . . 10.0 110.707 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -81.75 -10.25 59.41 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.194 0.442 . . . . 10.0 112.194 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 254' ' ' VAL . . . . . 0.593 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.3 OUTLIER -63.72 -30.75 50.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 120.609 0.243 . . . . 10.0 110.629 179.711 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 255' ' ' GLN . . . . . 0.477 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 68.9 mt-30 -62.89 -63.35 4.26 Favored Pre-proline 0 N--CA 1.451 -0.397 0 CA-C-N 116.167 -0.47 . . . . 10.0 110.757 179.526 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 256' ' ' PRO . . . . . 0.477 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 19.6 Cg_endo -61.14 -36.24 82.05 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 121.807 1.671 . . . . 10.0 112.247 179.389 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 4.8 m-30 -62.83 -57.96 9.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.351 -0.386 . . . . 10.0 111.216 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 52.9 mt -67.83 -37.28 81.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.15 -0.477 . . . . 10.0 111.471 -179.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 259' ' ' ASP . . . . . 0.471 ' O ' ' HB2' ' A' ' 263' ' ' LYS . 34.8 t70 -63.26 -41.31 99.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.543 0.211 . . . . 10.0 110.859 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -69.42 -44.14 71.95 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.992 0.425 . . . . 10.0 110.073 179.282 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 261' ' ' PHE . . . . . 0.485 ' O ' ' HB2' ' A' ' 265' ' ' TRP . 1.5 m-30 -63.82 -43.4 96.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.757 -0.656 . . . . 10.0 110.233 178.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 262' ' ' GLN . . . . . 0.528 ' O ' ' HG3' ' A' ' 266' ' ' GLN . 46.2 tt0 -66.96 -39.48 87.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.147 179.464 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 263' ' ' LYS . . . . . 0.497 ' HB2' ' HE3' ' A' ' 263' ' ' LYS . 15.1 ttmt -59.21 -51.25 70.77 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.496 -0.557 . . . . 10.0 109.496 179.097 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 264' ' ' LYS . . . . . 0.4 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 69.0 mttt -66.08 -36.64 83.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.697 -0.683 . . . . 10.0 110.249 179.158 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 265' ' ' TRP . . . . . 0.485 ' HB2' ' O ' ' A' ' 261' ' ' PHE . 0.0 OUTLIER -62.02 -40.25 95.05 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 109.502 -0.555 . . . . 10.0 109.502 178.707 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 266' ' ' GLN . . . . . 0.528 ' HG3' ' O ' ' A' ' 262' ' ' GLN . 74.6 mt-30 -60.99 -47.35 86.85 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 115.734 -0.666 . . . . 10.0 109.216 178.551 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -62.65 -40.36 96.8 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 115.792 -0.64 . . . . 10.0 109.766 178.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 268' ' ' GLU . . . . . 0.525 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 10.9 mt-10 -59.01 -43.92 91.62 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.975 -0.557 . . . . 10.0 109.897 178.504 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 85.7 mmm -68.92 -38.64 79.67 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.503 -0.771 . . . . 10.0 110.318 179.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -62.4 -50.66 70.63 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.69 -0.485 . . . . 10.0 109.69 179.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 70.0 mt -61.58 -34.78 76.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.218 179.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 272' ' ' TYR . . . . . 0.462 ' HD1' ' HA ' ' A' ' 272' ' ' TYR . 0.5 OUTLIER -69.08 -40.02 78.71 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.399 -0.364 . . . . 10.0 110.526 179.087 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 273' ' ' ARG . . . . . 0.618 ' HA ' HG12 ' A' ' 276' ' ' VAL . 84.9 mtt180 -74.96 -42.94 56.65 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.978 -0.556 . . . . 10.0 111.417 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -63.21 -23.75 67.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.959 -0.564 . . . . 10.0 111.159 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 275' ' ' LYS . . . . . 0.675 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 8.3 mptt -98.63 -35.33 10.23 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.027 -0.533 . . . . 10.0 111.347 179.638 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 276' ' ' VAL . . . . . 0.618 HG12 ' HA ' ' A' ' 273' ' ' ARG . 4.3 p -60.31 -33.34 53.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 112.698 0.629 . . . . 10.0 112.698 -179.149 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -62.39 -60.98 8.47 Favored Pre-proline 0 CA--C 1.533 0.302 0 C-N-CA 120.904 -0.318 . . . . 10.0 111.555 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -62.93 -36.96 57.33 Favored 'Trans proline' 0 C--N 1.355 0.878 0 C-N-CA 121.841 1.694 . . . . 10.0 111.614 178.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 279' ' ' LEU . . . . . 0.899 HD22 ' HE3' ' D' ' 495' ' ' LYS . 14.4 mt -62.58 -43.98 97.47 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-O 120.755 0.312 . . . . 10.0 110.386 179.164 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -63.46 -30.28 71.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 10.0 109.926 178.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -69.87 -44.89 68.89 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.174 -0.676 . . . . 10.0 109.174 178.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -63.21 -40.24 96.9 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 109.224 -0.658 . . . . 10.0 109.224 178.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 65.4 mt -64.02 -44.68 91.84 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.746 -0.661 . . . . 10.0 110.326 178.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -63.35 -52.19 62.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.055 -0.521 . . . . 10.0 110.626 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 285' ' ' GLU . . . . . 0.692 ' HA ' ' HD2' ' A' ' 288' ' ' ARG . 62.0 mt-10 -61.69 -40.79 96.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.757 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -63.65 -43.42 97.95 Favored Glycine 0 N--CA 1.446 -0.663 0 N-CA-C 110.141 -1.184 . . . . 10.0 110.141 178.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -61.96 -38.49 88.7 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 110.228 -0.286 . . . . 10.0 110.228 178.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 288' ' ' ARG . . . . . 0.692 ' HD2' ' HA ' ' A' ' 285' ' ' GLU . 99.1 mtt180 -53.47 -54.01 43.21 Favored 'General case' 0 CA--C 1.519 -0.215 0 N-CA-C 109.306 -0.628 . . . . 10.0 109.306 179.085 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -65.76 -48.73 70.9 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.925 -1.034 . . . . 10.0 111.246 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 60.5 mttt -59.13 -47.5 85.05 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.404 0.52 . . . . 10.0 112.404 -179.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 77.0 mt -68.5 -35.98 78.26 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.753 0.311 . . . . 10.0 110.248 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 292' ' ' HIS . . . . . 0.499 ' HB2' ' O ' ' A' ' 288' ' ' ARG . 2.5 t60 -63.77 -40.02 95.68 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.104 -0.702 . . . . 10.0 109.104 178.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.08 -35.35 78.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.729 -0.669 . . . . 10.0 109.754 178.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 84.8 mt -73.93 -40.39 63.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.286 178.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -61.15 -37.58 83.36 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.263 0.554 . . . . 10.0 109.946 179.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -72.86 5.42 3.25 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.75 -0.659 . . . . 10.0 111.627 179.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . 0.489 ' O ' ' HB2' ' A' ' 301' ' ' LEU . 9.1 mmtp -124.4 -39.73 2.3 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.091 -0.504 . . . . 10.0 109.704 178.126 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 298' ' ' LEU . . . . . 0.517 ' O ' ' HA3' ' A' ' 302' ' ' GLY . 61.3 mt -65.78 -23.98 66.83 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.09 -0.505 . . . . 10.0 111.367 179.628 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 299' ' ' SER . . . . . 0.423 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 16.0 m -85.34 -63.45 0.23 Allowed Pre-proline 0 C--N 1.322 -0.6 0 N-CA-C 112.186 0.439 . . . . 10.0 112.186 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 300' ' ' PRO . . . . . 0.423 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 27.5 Cg_endo -63.39 -52.58 1.88 Allowed 'Trans proline' 0 C--N 1.355 0.904 0 C-N-CA 121.733 1.622 . . . . 10.0 111.932 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 301' ' ' LEU . . . . . 0.651 HD13 ' HG2' ' D' ' 473' ' ' LYS . 96.7 mt -71.13 -22.57 62.05 Favored 'General case' 0 C--O 1.224 -0.275 0 N-CA-C 109.93 -0.396 . . . . 10.0 109.93 179.623 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 302' ' ' GLY . . . . . 0.517 ' HA3' ' O ' ' A' ' 298' ' ' LEU . . . -72.92 -49.73 15.97 Favored Glycine 0 N--CA 1.451 -0.311 0 N-CA-C 110.632 -0.987 . . . . 10.0 110.632 178.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -62.49 -41.45 98.82 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.019 -0.734 . . . . 10.0 109.019 178.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -64.59 -40.86 96.29 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.449 -0.796 . . . . 10.0 109.508 178.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 14.3 tpt -62.22 -44.24 97.01 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.833 -0.432 . . . . 10.0 109.833 179.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 306' ' ' ARG . . . . . 0.462 ' O ' ' HG3' ' A' ' 310' ' ' ARG . 63.1 mtt180 -67.62 -32.01 72.42 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.833 -0.621 . . . . 10.0 110.177 179.488 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 307' ' ' ASP . . . . . 0.704 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 22.7 t70 -73.48 -43.67 59.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 10.0 109.778 179.038 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 308' ' ' ARG . . . . . 0.467 ' HG3' HD11 ' D' ' 469' ' ' LEU . 20.2 mmt180 -64.27 -34.3 77.79 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.932 -0.766 . . . . 10.0 108.932 177.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -64.16 -33.16 75.14 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.009 -0.737 . . . . 10.0 109.009 177.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 310' ' ' ARG . . . . . 0.704 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 87.6 mtt180 -60.83 -50.24 74.23 Favored 'General case' 0 C--O 1.225 -0.193 0 N-CA-C 108.536 -0.912 . . . . 10.0 108.536 178.481 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -64.62 -40.1 94.89 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.465 -0.789 . . . . 10.0 110.073 179.264 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -59.19 -51.56 69.45 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.189 179.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 89.2 t -68.53 -40.44 82.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.879 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -60.14 -46.75 88.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.881 0.372 . . . . 10.0 110.292 179.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -63.15 -40.57 97.95 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.9 -0.591 . . . . 10.0 109.996 179.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 316' ' ' LEU . . . . . 0.413 ' O ' ' HG ' ' A' ' 320' ' ' LEU . 20.9 mt -65.7 -44.08 87.22 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.43 179.195 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 317' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 317' ' ' ARG . 19.2 ttm105 -61.46 -46.56 89.52 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.296 -0.411 . . . . 10.0 110.413 179.338 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 5.1 m -66.67 -18.98 65.65 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.661 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -91.16 -38.54 12.67 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.552 -0.536 . . . . 10.0 109.552 179.377 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 316' ' ' LEU . 93.2 mt -70.46 -32.22 69.69 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.842 -0.617 . . . . 10.0 111.878 -179.699 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 321' ' ' ALA . . . . . 0.449 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -50.39 -59.64 6.82 Favored Pre-proline 0 CA--C 1.537 0.458 0 N-CA-C 112.418 0.525 . . . . 10.0 112.418 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . 0.449 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 47.6 Cg_endo -70.17 -26.81 25.26 Favored 'Trans proline' 0 C--N 1.355 0.918 0 C-N-CA 121.831 1.687 . . . . 10.0 111.846 179.29 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 15.5 m-30 -68.76 -48.07 64.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.479 -0.328 . . . . 10.0 110.672 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 324' ' ' SER . . . . . 0.56 ' HA ' ' HB2' ' A' ' 327' ' ' LEU . 7.0 p -69.0 -31.96 71.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.294 0.568 . . . . 10.0 110.151 179.174 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -63.58 -49.62 72.66 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.016 -0.735 . . . . 10.0 109.016 178.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . 0.563 ' O ' ' HG3' ' A' ' 330' ' ' ARG . 80.8 mt-10 -69.47 -29.29 66.93 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.41 -0.813 . . . . 10.0 109.315 178.611 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . 0.56 ' HB2' ' HA ' ' A' ' 324' ' ' SER . 0.5 OUTLIER -59.81 -35.69 75.21 Favored 'General case' 0 CA--C 1.52 -0.185 0 N-CA-C 109.138 -0.69 . . . . 10.0 109.138 178.422 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 328' ' ' ARG . . . . . 0.402 ' HG3' ' O ' ' A' ' 324' ' ' SER . 67.2 mtt180 -63.32 -40.93 98.71 Favored 'General case' 0 CA--C 1.518 -0.287 0 N-CA-C 108.899 -0.778 . . . . 10.0 108.899 178.288 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -67.75 -36.95 81.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.54 -0.755 . . . . 10.0 109.422 179.044 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 330' ' ' ARG . . . . . 0.788 HH21 ' HB3' ' D' ' 447' ' ' GLU . 1.2 mtt180 -64.87 -53.95 38.57 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-N 115.508 -0.769 . . . . 10.0 109.709 178.711 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 84.7 mt -58.18 -45.73 87.01 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.717 -0.674 . . . . 10.0 110.537 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -59.56 -50.75 72.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.344 179.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -61.84 -47.33 85.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.515 -0.312 . . . . 10.0 110.973 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 15.1 mmt180 -60.64 -48.88 79.81 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.781 179.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 62.6 mt -66.37 -34.48 78.06 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 112.023 0.379 . . . . 10.0 112.023 -179.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -68.72 -39.01 80.64 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.738 -0.467 . . . . 10.0 109.738 178.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -65.09 -40.8 95.13 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 108.041 -1.096 . . . . 10.0 108.041 177.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 338' ' ' LEU . . . . . 0.412 ' O ' ' HA3' ' A' ' 342' ' ' GLY . 42.7 mt -66.13 -24.94 66.77 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-N 115.286 -0.87 . . . . 10.0 110.885 178.659 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 48.9 mttt -80.63 -48.63 12.37 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.81 0.338 . . . . 10.0 110.584 179.241 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -64.93 -55.12 21.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.282 179.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -68.75 -39.69 80.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.224 179.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 342' ' ' GLY . . . . . 0.412 ' HA3' ' O ' ' A' ' 338' ' ' LEU . . . -61.76 -39.36 97.34 Favored Glycine 0 N--CA 1.453 -0.219 0 N-CA-C 111.278 -0.729 . . . . 10.0 111.278 179.127 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -63.04 -41.51 99.83 Favored Glycine 0 N--CA 1.446 -0.669 0 N-CA-C 110.573 -1.011 . . . . 10.0 110.573 178.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -66.42 -43.83 84.61 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 108.946 -0.761 . . . . 10.0 108.946 178.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 29.8 mtm180 -59.28 -43.72 92.52 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.831 178.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 30.6 mt -62.75 -46.52 87.66 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.015 178.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.69 -42.74 89.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.0 -0.546 . . . . 10.0 109.664 179.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 348' ' ' GLU . . . . . 0.604 ' HB3' ' HE2' ' A' ' 352' ' ' LYS . 2.6 mt-10 -66.47 -42.19 87.91 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.679 -0.691 . . . . 10.0 109.915 178.387 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 8.5 m-30 -62.1 -41.01 97.78 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.868 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 53.0 m-70 -62.38 -43.4 98.91 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 109.671 -0.492 . . . . 10.0 109.671 179.178 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -65.74 -46.27 79.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.787 -0.642 . . . . 10.0 109.525 178.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 352' ' ' LYS . . . . . 0.604 ' HE2' ' HB3' ' A' ' 348' ' ' GLU . 30.5 mttm -59.75 -43.68 94.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.39 179.27 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -63.59 -39.46 94.45 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.97 -0.381 . . . . 10.0 109.97 178.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 86.7 m -63.77 -48.26 77.66 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.7 -0.481 . . . . 10.0 109.7 178.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -63.39 -34.8 78.52 Favored 'General case' 0 C--O 1.226 -0.169 0 CA-C-O 121.01 0.433 . . . . 10.0 110.213 179.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 356' ' ' HIS . . . . . 0.461 ' O ' ' HB2' ' A' ' 360' ' ' LEU . 0.1 OUTLIER -73.1 -26.01 61.09 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.958 179.347 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 52.3 mt -79.18 -39.92 32.15 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.758 0.313 . . . . 10.0 110.587 179.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 1.2 p -66.91 -38.4 86.16 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.673 -0.492 . . . . 10.0 109.673 178.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 17.2 p -73.82 -30.02 62.47 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 116.005 -0.543 . . . . 10.0 109.837 178.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 360' ' ' LEU . . . . . 0.595 HD12 ' HD2' ' A' ' 363' ' ' LYS . 24.5 tp -69.21 -25.95 64.57 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 108.92 -0.77 . . . . 10.0 108.92 178.461 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 24.7 m -66.16 -25.78 67.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.619 -0.719 . . . . 10.0 110.207 179.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 362' ' ' GLU . . . . . 0.416 ' O ' ' HD2' ' A' ' 366' ' ' PRO . 7.4 mm-40 -71.5 -23.68 61.84 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 108.874 -0.787 . . . . 10.0 108.874 178.584 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 363' ' ' LYS . . . . . 0.829 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 87.6 mttt -91.81 -30.1 16.4 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.341 -0.845 . . . . 10.0 109.587 178.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 364' ' ' ALA . . . . . 0.453 ' HA ' HD12 ' A' ' 368' ' ' LEU . . . -80.7 -29.54 36.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.791 -0.64 . . . . 10.0 112.461 -179.293 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 365' ' ' LYS . . . . . 0.865 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 43.0 mtmt -105.7 -75.43 0.02 OUTLIER Pre-proline 0 CA--C 1.539 0.521 0 N-CA-C 113.083 0.771 . . . . 10.0 113.083 179.616 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 366' ' ' PRO . . . . . 0.865 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 31.9 Cg_exo -60.06 -56.85 0.95 Allowed 'Trans proline' 0 C--N 1.358 1.035 0 C-N-CA 122.21 1.94 . . . . 10.0 113.041 -179.178 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 367' ' ' ALA . . . . . 0.829 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -57.22 -48.2 79.41 Favored 'General case' 0 C--N 1.333 -0.135 0 N-CA-C 111.943 0.349 . . . . 10.0 111.943 -179.208 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 368' ' ' LEU . . . . . 0.453 HD12 ' HA ' ' A' ' 364' ' ' ALA . 2.3 mt -63.15 -36.06 82.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.65 0.262 . . . . 10.0 110.905 179.513 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -63.67 -48.77 75.85 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 109.226 -0.657 . . . . 10.0 109.226 178.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -59.07 -42.37 90.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.652 -0.704 . . . . 10.0 109.888 179.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 371' ' ' LEU . . . . . 0.427 ' O ' ' HG ' ' A' ' 375' ' ' LEU . 83.8 mt -64.26 -50.34 68.35 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.663 -0.698 . . . . 10.0 110.783 179.543 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 372' ' ' ARG . . . . . 0.431 ' O ' ' HG ' ' A' ' 376' ' ' LEU . 87.8 mtt180 -61.42 -46.96 87.94 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.448 -0.342 . . . . 10.0 111.647 -179.304 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -66.85 -19.96 65.83 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.935 0.397 . . . . 10.0 110.806 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -88.58 -37.33 7.53 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.935 -0.65 . . . . 10.0 111.553 178.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 375' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 371' ' ' LEU . 92.2 mt -72.68 -25.73 61.36 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 111.833 0.309 . . . . 10.0 111.833 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 376' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 372' ' ' ARG . 58.6 mt -54.46 -59.28 10.69 Favored Pre-proline 0 CA--C 1.537 0.48 0 N-CA-C 111.679 0.251 . . . . 10.0 111.679 179.394 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -65.87 -27.23 51.45 Favored 'Trans proline' 0 C--N 1.357 0.991 0 C-N-CA 121.955 1.77 . . . . 10.0 110.806 178.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 18.0 t -62.51 -47.53 92.53 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 N-CA-C 108.589 -0.893 . . . . 10.0 108.589 178.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 379' ' ' LEU . . . . . 0.475 ' O ' ' HG3' ' A' ' 383' ' ' LYS . 81.1 mt -61.44 -39.77 92.02 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.114 -0.698 . . . . 10.0 109.114 178.556 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -58.63 -48.94 79.3 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.839 -0.619 . . . . 10.0 111.127 179.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 5.3 p -67.56 -34.29 76.76 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 121.133 0.492 . . . . 10.0 110.468 179.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -68.13 -37.24 80.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.798 179.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 383' ' ' LYS . . . . . 0.475 ' HG3' ' O ' ' A' ' 379' ' ' LEU . 79.7 mttt -60.55 -50.55 73.08 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.683 -0.488 . . . . 10.0 109.683 179.223 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 51.9 t -59.89 -47.56 91.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.53 -0.759 . . . . 10.0 111.144 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 2.6 p -65.23 -40.89 94.69 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.63 -0.259 . . . . 10.0 111.695 -179.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 386' ' ' PHE . . . . . 0.402 ' HZ ' ' H76' ' A' ' 415' ' ' 17F . 3.1 m-85 -66.52 -41.37 88.92 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.596 0.236 . . . . 10.0 110.704 179.248 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 387' ' ' LEU . . . . . 0.463 ' O ' ' HG3' ' A' ' 391' ' ' GLU . 85.5 mt -63.6 -47.2 82.4 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.898 179.656 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 388' ' ' SER . . . . . 0.678 ' HB2' ' HE2' ' D' ' 594' ' ' LYS . 2.5 p -66.66 -33.75 76.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.846 0.355 . . . . 10.0 110.423 179.27 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -63.85 -43.41 96.22 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 109.334 -0.617 . . . . 10.0 109.334 178.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 76.0 mt -60.02 -37.79 80.76 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 116.162 -0.472 . . . . 10.0 109.864 178.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 391' ' ' GLU . . . . . 0.463 ' HG3' ' O ' ' A' ' 387' ' ' LEU . 42.2 mt-10 -63.99 -44.2 93.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.168 0.508 . . . . 10.0 109.894 178.618 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -63.18 -40.48 97.64 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.811 -0.632 . . . . 10.0 111.637 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 393' ' ' TYR . . . . . 0.412 ' O ' ' HB2' ' A' ' 397' ' ' LEU . 59.0 m-85 -76.72 2.76 13.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.877 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 57.2 m -114.26 -47.28 2.94 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.366 -0.379 . . . . 10.0 110.752 178.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -60.37 -34.14 73.45 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.794 0.664 . . . . 10.0 112.794 -179.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 1.9 mptt -111.23 11.69 21.77 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 113.585 0.958 . . . . 10.0 113.585 -178.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 397' ' ' LEU . . . . . 0.412 ' HB2' ' O ' ' A' ' 393' ' ' TYR . 66.1 mt -130.14 -13.15 4.03 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.389 0.515 . . . . 10.0 112.389 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 48.8 t30 . . . . . 0 C--N 1.327 -0.412 0 CA-C-N 116.566 -0.288 . . . . 10.0 110.652 179.925 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 4.2 mm? . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.981 0.419 . . . . 10.0 110.52 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 4.7 mtpm? -129.15 22.26 5.69 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.662 -0.699 . . . . 10.0 109.658 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 94.7 mt -78.63 -27.38 45.39 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.26 -0.882 . . . . 10.0 109.806 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 95.5 mt -63.65 -39.63 94.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.599 -0.728 . . . . 10.0 109.975 179.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -61.36 -47.32 86.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.296 -0.866 . . . . 10.0 109.765 179.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 404' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -67.82 -36.41 80.33 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.826 -0.624 . . . . 10.0 110.51 179.165 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.85 -32.57 71.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.502 . . . . 10.0 110.245 179.236 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -61.63 -45.58 93.46 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 115.909 -0.587 . . . . 10.0 109.472 178.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 1.5 m -61.39 -38.78 88.31 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 115.945 -0.571 . . . . 10.0 110.274 179.279 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 408' ' ' VAL . . . . . . . . . . . . . 49.1 t -66.16 -42.97 92.19 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 CA-C-N 115.77 -0.65 . . . . 10.0 109.713 178.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 8.9 m -63.78 -40.4 96.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.211 179.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 13.1 m -62.15 -48.39 80.28 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 116.196 -0.457 . . . . 10.0 110.654 179.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 411' ' ' THR . . . . . . . . . . . . . 1.1 p -64.77 -36.69 85.14 Favored 'General case' 0 N--CA 1.456 -0.151 0 CA-C-N 116.671 -0.241 . . . . 10.0 111.111 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 4.7 m-30 -65.7 -43.61 88.65 Favored 'General case' 0 CA--C 1.522 -0.106 0 N-CA-C 109.904 -0.406 . . . . 10.0 109.904 179.058 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 20.3 m -66.45 -36.77 83.61 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 109.313 -0.625 . . . . 10.0 109.313 178.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 50.6 mmtt -66.33 -33.17 75.12 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 115.968 -0.56 . . . . 10.0 110.284 178.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 20.8 mt -65.41 -39.85 92.68 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 108.894 -0.78 . . . . 10.0 108.894 177.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -67.73 -36.71 81.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.538 -0.756 . . . . 10.0 109.888 178.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -64.24 -30.37 71.43 Favored 'General case' 0 C--N 1.334 -0.076 0 CA-C-N 115.663 -0.698 . . . . 10.0 109.398 178.342 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -80.06 -47.95 14.05 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.762 -0.654 . . . . 10.0 109.474 178.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 41.0 mt -46.62 -45.99 19.42 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 115.373 -0.83 . . . . 10.0 112.846 -179.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -49.78 -75.15 0.22 Allowed Glycine 0 C--N 1.335 0.496 0 C-N-CA 121.243 -0.503 . . . . 10.0 112.983 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 421' ' ' PRO . . . . . 0.628 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 50.2 Cg_exo -55.94 -45.89 35.31 Favored 'Trans proline' 0 CA--C 1.528 0.186 0 C-N-CA 122.865 2.377 . . . . 10.0 112.389 179.233 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 422' ' ' VAL . . . . . 0.471 ' O ' ' HB2' ' D' ' 426' ' ' PHE . 63.7 t -55.64 -49.88 70.97 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 N-CA-C 113.008 0.744 . . . . 10.0 113.008 -178.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 29.7 p -64.27 -39.74 94.55 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.919 -0.312 . . . . 10.0 111.221 -179.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -60.26 -51.62 68.79 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.539 -0.301 . . . . 10.0 110.757 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 425' ' ' GLU . . . . . 0.628 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 9.3 pt-20 -70.6 -31.73 68.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.828 179.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 426' ' ' PHE . . . . . 0.471 ' HB2' ' O ' ' D' ' 422' ' ' VAL . 5.4 t80 -67.6 -38.68 84.32 Favored 'General case' 0 CA--C 1.521 -0.166 0 N-CA-C 109.336 -0.616 . . . . 10.0 109.336 178.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 427' ' ' TRP . . . . . 0.479 ' O ' ' HG3' ' D' ' 431' ' ' GLU . 4.2 m95 -67.2 -40.06 86.44 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.285 -0.635 . . . . 10.0 109.285 178.189 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 428' ' ' ASP . . . . . 0.402 ' O ' ' HG3' ' D' ' 432' ' ' LYS . 23.5 t70 -65.89 -33.61 76.22 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.786 -0.82 . . . . 10.0 108.786 177.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -69.78 -41.23 75.39 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.959 -0.756 . . . . 10.0 108.959 177.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 430' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' D' ' 426' ' ' PHE . 79.2 mt -61.3 -37.56 83.64 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 115.594 -0.73 . . . . 10.0 109.165 178.404 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 431' ' ' GLU . . . . . 0.479 ' HG3' ' O ' ' D' ' 427' ' ' TRP . 29.2 mt-10 -65.37 -41.78 93.44 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.167 -0.679 . . . . 10.0 109.167 178.089 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 432' ' ' LYS . . . . . 0.402 ' HG3' ' O ' ' D' ' 428' ' ' ASP . 40.8 mttp -61.07 -44.17 97.78 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.227 -0.657 . . . . 10.0 109.227 178.14 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -64.64 -48.21 75.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.551 -0.749 . . . . 10.0 111.452 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 3.2 p -63.41 -41.12 98.72 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.925 -0.31 . . . . 10.0 110.396 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -61.29 -46.54 89.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.92 0.391 . . . . 10.0 110.03 178.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -62.23 -47.96 86.03 Favored Glycine 0 N--CA 1.443 -0.898 0 N-CA-C 110.268 -1.133 . . . . 10.0 110.268 178.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 437' ' ' LEU . . . . . 0.414 ' O ' ' HB2' ' D' ' 441' ' ' MET . 60.9 mt -60.88 -32.32 71.77 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 115.773 -0.213 . . . . 10.0 110.808 179.263 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 51.1 mtt180 -67.32 -43.2 82.18 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.567 -0.531 . . . . 10.0 109.567 178.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -65.42 -35.17 80.13 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.787 -0.642 . . . . 10.0 109.989 179.439 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -76.74 -50.75 12.84 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.753 -0.658 . . . . 10.0 110.436 179.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 441' ' ' MET . . . . . 0.414 ' HB2' ' O ' ' D' ' 437' ' ' LEU . 13.2 mmm -63.11 -34.22 77.13 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 113.716 1.006 . . . . 10.0 113.716 -178.653 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 4.1 p -62.04 -52.6 63.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.318 0.58 . . . . 10.0 109.841 179.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 443' ' ' LYS . . . . . 0.511 ' O ' ' HB2' ' D' ' 447' ' ' GLU . 63.0 tttp -66.47 -37.83 85.98 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.445 -0.798 . . . . 10.0 109.871 179.159 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -62.12 -56.21 21.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.755 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 21.0 mt -61.81 -47.4 85.3 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.299 0.481 . . . . 10.0 112.299 -179.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 50.4 mm-40 -59.58 -46.03 90.13 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 120.849 0.357 . . . . 10.0 110.869 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 447' ' ' GLU . . . . . 0.788 ' HB3' HH21 ' A' ' 330' ' ' ARG . 5.9 tt0 -68.2 -34.33 76.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.011 -0.54 . . . . 10.0 109.603 179.223 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 1.5 t -60.14 -41.58 87.08 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.172 0 CA-C-N 115.902 -0.59 . . . . 10.0 109.963 179.002 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -60.19 -45.36 93.41 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.114 0.483 . . . . 10.0 109.845 179.017 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -76.95 5.01 8.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.72 -0.673 . . . . 10.0 111.512 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 451' ' ' LYS . . . . . 0.424 ' HB3' H283 ' D' ' 601' ' ' PCW . 56.8 mttm -115.3 -44.76 2.97 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.375 -0.375 . . . . 10.0 110.475 179.174 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 95.1 t -65.36 -39.38 85.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.693 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 453' ' ' GLN . . . . . 0.478 ' HB2' ' HD3' ' D' ' 454' ' ' PRO . 66.8 mt-30 -55.38 -60.59 7.92 Favored Pre-proline 0 CA--C 1.537 0.469 0 CA-C-N 116.691 -0.231 . . . . 10.0 111.249 179.145 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 454' ' ' PRO . . . . . 0.478 ' HD3' ' HB2' ' D' ' 453' ' ' GLN . 41.3 Cg_endo -69.05 -23.26 34.25 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.014 1.809 . . . . 10.0 111.761 178.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 455' ' ' TYR . . . . . 0.438 ' O ' ' HB2' ' D' ' 459' ' ' PHE . 55.3 t80 -69.14 -48.2 63.0 Favored 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 108.655 -0.869 . . . . 10.0 108.655 178.61 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 49.8 mt -66.93 -35.25 79.57 Favored 'General case' 0 C--O 1.22 -0.496 0 CA-C-N 115.731 -0.668 . . . . 10.0 109.521 178.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 457' ' ' ASP . . . . . 0.457 ' HB3' ' HA ' ' D' ' 454' ' ' PRO . 6.0 t70 -61.54 -54.02 48.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.055 178.678 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 458' ' ' ASP . . . . . 0.574 ' HA ' ' HD2' ' D' ' 461' ' ' LYS . 35.8 t70 -64.4 -34.85 79.12 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.844 -0.617 . . . . 10.0 110.379 179.579 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 459' ' ' PHE . . . . . 0.438 ' HB2' ' O ' ' D' ' 455' ' ' TYR . 0.2 OUTLIER -69.95 -40.09 75.65 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.329 178.782 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -63.97 -35.21 79.94 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 109.255 -0.646 . . . . 10.0 109.255 178.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 461' ' ' LYS . . . . . 0.574 ' HD2' ' HA ' ' D' ' 458' ' ' ASP . 67.0 mttt -63.46 -46.22 87.21 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 115.626 -0.716 . . . . 10.0 109.141 177.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 462' ' ' LYS . . . . . . . . . . . . . 6.9 mtmm -67.22 -34.96 78.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.056 178.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 17.8 m0 -63.98 -49.19 73.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.709 -0.678 . . . . 10.0 109.388 178.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -62.07 -41.94 98.68 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 115.833 -0.621 . . . . 10.0 110.109 179.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 465' ' ' GLU . . . . . 0.606 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 34.6 mt-10 -56.93 -53.71 54.85 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 109.756 -0.461 . . . . 10.0 109.756 179.073 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -61.34 -40.76 95.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.893 -0.594 . . . . 10.0 110.343 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 56.6 ttm -60.75 -47.69 85.15 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.14 -0.482 . . . . 10.0 109.932 179.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -63.6 -43.38 97.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.952 -0.567 . . . . 10.0 109.809 178.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 469' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' D' ' 465' ' ' GLU . 88.8 mt -62.93 -36.43 83.38 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.668 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 11.5 m-30 -65.91 -29.16 69.54 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.979 0.418 . . . . 10.0 110.816 179.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 74.5 mtt180 -73.2 -18.87 61.21 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.228 -0.656 . . . . 10.0 109.228 178.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -109.12 3.26 21.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.766 -0.652 . . . . 10.0 111.032 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 473' ' ' LYS . . . . . 0.651 ' HG2' HD13 ' A' ' 301' ' ' LEU . 52.0 mttp -125.51 -67.04 0.91 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.622 179.71 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 30.0 t -62.71 -43.34 98.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 10.0 111.389 -179.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -57.12 -59.47 12.57 Favored Pre-proline 0 CA--C 1.538 0.511 0 N-CA-C 112.657 0.614 . . . . 10.0 112.657 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -62.82 -38.61 47.38 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 121.725 1.617 . . . . 10.0 111.248 178.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 27.3 mt -63.7 -32.59 74.13 Favored 'General case' 0 C--O 1.22 -0.476 0 CA-C-N 116.699 -0.228 . . . . 10.0 110.414 179.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 13.7 mtt180 -61.29 -47.04 87.81 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.278 -0.638 . . . . 10.0 109.278 178.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -64.6 -44.53 90.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.578 179.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -64.93 -44.64 88.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.731 179.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 65.3 mt -66.55 -31.92 72.94 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.883 -0.414 . . . . 10.0 109.883 178.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -67.49 -40.97 85.22 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 108.782 -0.821 . . . . 10.0 108.782 177.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.12 -41.15 95.12 Favored 'General case' 0 CA--C 1.517 -0.29 0 N-CA-C 109.16 -0.681 . . . . 10.0 109.16 178.599 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -66.15 -36.93 92.53 Favored Glycine 0 N--CA 1.441 -0.972 0 N-CA-C 110.262 -1.135 . . . . 10.0 110.262 178.356 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -66.96 -43.63 82.6 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 109.045 -0.724 . . . . 10.0 109.045 178.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 81.5 mtt180 -64.51 -40.3 95.38 Favored 'General case' 0 CA--C 1.518 -0.272 0 O-C-N 123.596 0.56 . . . . 10.0 109.802 178.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.17 -53.6 53.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.816 -0.629 . . . . 10.0 109.712 179.048 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 70.0 tttt -65.54 -32.82 74.61 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.777 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 489' ' ' LEU . . . . . 0.458 ' O ' ' HG3' ' D' ' 493' ' ' GLN . 1.6 mt -63.83 -47.8 79.37 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 108.639 -0.874 . . . . 10.0 108.639 178.277 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -62.02 -43.96 97.73 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 108.353 -0.98 . . . . 10.0 108.353 178.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -54.72 -51.71 64.76 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.64 -0.709 . . . . 10.0 109.246 178.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 92.5 mt -60.75 -47.33 86.81 Favored 'General case' 0 C--O 1.217 -0.616 0 CA-C-N 115.461 -0.791 . . . . 10.0 111.353 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 493' ' ' GLN . . . . . 0.458 ' HG3' ' O ' ' D' ' 489' ' ' LEU . 95.6 mt-30 -59.73 -37.53 79.2 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.067 0.46 . . . . 10.0 111.293 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -69.74 -7.11 36.67 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.023 -0.535 . . . . 10.0 111.358 179.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 495' ' ' LYS . . . . . 0.899 ' HE3' HD22 ' A' ' 279' ' ' LEU . 16.5 mttp -116.76 -33.62 4.75 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.879 179.257 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 81.3 mt -64.67 -28.0 69.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.452 -0.34 . . . . 10.0 111.506 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 497' ' ' SER . . . . . 0.494 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 6.5 m -74.43 -60.92 1.27 Allowed Pre-proline 0 C--N 1.323 -0.546 0 C-N-CA 120.672 -0.411 . . . . 10.0 111.432 178.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 498' ' ' PRO . . . . . 0.494 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 30.1 Cg_endo -65.21 -50.35 2.1 Favored 'Trans proline' 0 C--N 1.359 1.107 0 C-N-CA 121.719 1.613 . . . . 10.0 112.244 179.463 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 499' ' ' LEU . . . . . 0.592 ' HB2' ' O ' ' D' ' 495' ' ' LYS . 6.5 mp -69.04 -28.73 66.82 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 120.548 0.213 . . . . 10.0 110.767 -179.696 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -65.89 -51.33 46.9 Favored Glycine 0 N--CA 1.446 -0.655 0 N-CA-C 110.014 -1.234 . . . . 10.0 110.014 178.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -65.36 -33.97 77.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.201 0.524 . . . . 10.0 109.616 178.294 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 502' ' ' GLU . . . . . 0.51 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 19.7 tt0 -63.97 -52.39 59.9 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.558 -0.746 . . . . 10.0 109.554 179.005 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 503' ' ' MET . . . . . 0.603 ' HA ' ' HD2' ' D' ' 506' ' ' ARG . 74.0 mmm -61.28 -37.22 82.38 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 121.019 0.438 . . . . 10.0 110.374 179.045 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 504' ' ' ARG . . . . . 0.447 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 76.9 mtt180 -65.67 -43.51 89.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.893 -0.594 . . . . 10.0 109.842 178.684 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 505' ' ' ASP . . . . . 0.728 ' HA ' ' HD2' ' D' ' 508' ' ' ARG . 4.6 t70 -69.09 -35.44 76.5 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.413 -0.358 . . . . 10.0 110.236 179.432 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 506' ' ' ARG . . . . . 0.603 ' HD2' ' HA ' ' D' ' 503' ' ' MET . 52.1 mtt180 -61.4 -43.44 98.86 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 107.525 -1.287 . . . . 10.0 107.525 177.179 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -61.82 -39.07 90.49 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-N 114.975 -1.012 . . . . 10.0 109.567 178.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 508' ' ' ARG . . . . . 0.728 ' HD2' ' HA ' ' D' ' 505' ' ' ASP . 83.7 mtt180 -61.26 -43.89 98.13 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.184 -0.673 . . . . 10.0 109.184 178.417 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 509' ' ' ALA . . . . . 0.4 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -63.86 -32.19 73.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.499 -0.773 . . . . 10.0 111.34 179.648 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 510' ' ' HIS . . . . . 0.506 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 80.3 m-70 -83.09 -46.88 12.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.204 179.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 79.2 t -63.22 -41.35 92.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.556 -0.293 . . . . 10.0 110.623 179.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 512' ' ' ASP . . . . . 0.592 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 15.0 t70 -65.9 -35.65 81.21 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.502 -0.555 . . . . 10.0 109.502 178.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -67.08 -43.16 83.31 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 108.648 -0.871 . . . . 10.0 108.648 178.071 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 514' ' ' LEU . . . . . 0.627 ' HA ' ' HB2' ' D' ' 517' ' ' HIS . 96.0 mt -60.6 -24.9 65.85 Favored 'General case' 0 CA--C 1.526 0.038 0 CA-C-O 120.97 0.414 . . . . 10.0 110.748 179.171 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 515' ' ' ARG . . . . . 0.592 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 77.7 mtt180 -69.47 -22.73 63.61 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.537 -0.542 . . . . 10.0 109.537 178.522 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.12 -4.58 15.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.807 -0.633 . . . . 10.0 110.109 179.119 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 517' ' ' HIS . . . . . 0.627 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 16.3 m170 -103.45 -48.52 3.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.778 -0.647 . . . . 10.0 111.343 -179.565 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 52.2 mt -94.36 -49.44 5.7 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.265 -0.425 . . . . 10.0 112.126 -178.236 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 519' ' ' ALA . . . . . 0.557 ' HB3' ' O ' ' D' ' 515' ' ' ARG . . . -51.46 -55.31 30.33 Favored Pre-proline 0 CA--C 1.54 0.593 0 N-CA-C 114.298 1.221 . . . . 10.0 114.298 -178.535 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 520' ' ' PRO . . . . . 0.535 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 15.8 Cg_exo -70.72 -36.04 8.89 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 121.988 1.792 . . . . 10.0 111.812 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -69.53 -34.88 74.89 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.753 -0.658 . . . . 10.0 112.125 -178.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 522' ' ' SER . . . . . 0.571 ' HA ' HD12 ' D' ' 525' ' ' LEU . 3.1 p -63.96 -32.56 74.13 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.65 -0.5 . . . . 10.0 109.65 179.456 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 523' ' ' ASP . . . . . 0.759 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 13.3 t70 -70.52 -37.15 74.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.886 -0.597 . . . . 10.0 109.498 178.563 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -67.64 -35.33 78.69 Favored 'General case' 0 CA--C 1.521 -0.139 0 N-CA-C 108.453 -0.943 . . . . 10.0 108.453 177.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 525' ' ' LEU . . . . . 0.571 HD12 ' HA ' ' D' ' 522' ' ' SER . 74.9 mt -65.91 -36.18 82.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.351 -0.84 . . . . 10.0 108.953 177.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 526' ' ' ARG . . . . . 0.759 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 80.1 mtt180 -60.81 -32.5 71.87 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.509 179.517 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -67.37 -42.82 82.81 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.036 -0.727 . . . . 10.0 109.036 178.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 528' ' ' ARG . . . . . 0.748 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 84.1 mtt180 -69.5 -39.24 77.72 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.05 -0.977 . . . . 10.0 109.004 179.208 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 529' ' ' LEU . . . . . 0.48 ' O ' ' HB2' ' D' ' 533' ' ' LEU . 32.9 mt -61.02 -35.34 76.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.716 -0.674 . . . . 10.0 110.101 178.398 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -69.9 -40.19 75.76 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 115.812 -0.631 . . . . 10.0 109.654 178.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -68.26 -45.98 71.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.044 -0.525 . . . . 10.0 109.981 179.254 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 532' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 -60.79 -41.72 96.16 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.054 -0.721 . . . . 10.0 109.054 178.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 533' ' ' LEU . . . . . 0.48 ' HB2' ' O ' ' D' ' 529' ' ' LEU . 1.2 mt -67.47 -38.65 84.74 Favored 'General case' 0 C--O 1.221 -0.418 0 CA-C-N 115.848 -0.614 . . . . 10.0 110.483 178.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -61.49 -42.99 99.63 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.594 -0.521 . . . . 10.0 109.594 179.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -67.62 -44.5 77.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.85 -0.614 . . . . 10.0 109.887 178.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 536' ' ' LEU . . . . . . . . . . . . . 58.0 mt -62.34 -37.78 86.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.804 -0.634 . . . . 10.0 110.89 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -74.52 -36.49 63.2 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.532 -0.303 . . . . 10.0 110.998 179.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -68.83 -56.83 6.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.792 0.329 . . . . 10.0 110.14 179.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 51.8 m-20 -65.58 -31.33 72.32 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 109.093 -0.706 . . . . 10.0 109.093 179.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -66.87 -41.56 93.39 Favored Glycine 0 N--CA 1.445 -0.743 0 N-CA-C 110.87 -0.892 . . . . 10.0 110.87 179.038 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -65.08 -38.63 95.58 Favored Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 110.104 -1.198 . . . . 10.0 110.104 178.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -67.29 -46.88 72.27 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 109.091 -0.707 . . . . 10.0 109.091 178.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 543' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' D' ' 543' ' ' ARG . 57.0 mtt85 -61.53 -28.48 69.35 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.961 179.155 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 20.0 mt -65.42 -44.72 86.49 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.229 -0.656 . . . . 10.0 109.229 178.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -69.75 -41.96 74.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.662 -0.699 . . . . 10.0 109.392 178.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 546' ' ' GLU . . . . . 0.421 ' O ' ' HB2' ' D' ' 550' ' ' LYS . 64.9 mt-10 -60.5 -47.08 87.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.651 -0.704 . . . . 10.0 110.447 179.191 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 547' ' ' TYR . . . . . 0.416 ' HB2' ' O ' ' D' ' 543' ' ' ARG . 0.8 OUTLIER -65.52 -36.06 82.69 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.879 179.446 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -67.61 -45.99 73.85 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.888 -0.412 . . . . 10.0 109.888 178.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -63.25 -41.72 99.1 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 108.968 -0.753 . . . . 10.0 108.968 178.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 550' ' ' LYS . . . . . 0.56 ' HD3' HG22 ' A' ' 224' ' ' VAL . 0.0 OUTLIER -62.63 -43.64 98.31 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.528 -0.76 . . . . 10.0 109.983 178.591 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -63.47 -35.28 79.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.283 -0.417 . . . . 10.0 110.38 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 38.8 m -68.58 -47.16 67.49 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.84 -0.618 . . . . 10.0 109.829 179.237 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -66.8 -36.49 82.5 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.134 0.493 . . . . 10.0 109.88 178.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 554' ' ' HIS . . . . . 0.448 ' HE1' H252 ' A' ' 405' ' ' PCW . 80.1 t60 -66.86 -43.59 83.2 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.713 -0.676 . . . . 10.0 109.958 178.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 21.4 tp -61.33 -39.56 90.97 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.077 -0.511 . . . . 10.0 111.197 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.76 -40.41 88.23 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.445 -0.343 . . . . 10.0 110.489 179.326 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.87 -29.52 65.64 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 121.011 0.434 . . . . 10.0 109.989 178.451 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 558' ' ' LEU . . . . . 0.536 HD21 H261 ' A' ' 405' ' ' PCW . 24.5 mt -64.71 -54.33 33.17 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 115.828 -0.623 . . . . 10.0 109.417 178.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 559' ' ' SER . . . . . 0.582 ' HB2' ' HE3' ' D' ' 563' ' ' LYS . 2.0 p -63.81 -34.81 78.75 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.771 -0.649 . . . . 10.0 110.744 179.545 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -58.97 -33.44 70.66 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 116.045 -0.525 . . . . 10.0 109.89 178.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.5 27.78 9.35 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.054 179.385 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 562' ' ' ALA . . . . . 0.569 ' HB3' ' HA ' ' D' ' 559' ' ' SER . . . -125.95 -49.0 1.61 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.695 -0.684 . . . . 10.0 110.371 179.02 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 563' ' ' LYS . . . . . 0.582 ' HE3' ' HB2' ' D' ' 559' ' ' SER . 94.6 mttt -58.68 -62.13 6.31 Favored Pre-proline 0 CA--C 1.535 0.371 0 CA-C-N 116.519 -0.31 . . . . 10.0 111.373 179.475 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 564' ' ' PRO . . . . . 0.579 ' HD3' ' HB2' ' D' ' 563' ' ' LYS . 57.2 Cg_endo -70.91 -23.77 25.15 Favored 'Trans proline' 0 C--N 1.358 1.063 0 C-N-CA 121.784 1.656 . . . . 10.0 110.934 179.468 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -67.04 -50.69 61.16 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 115.773 -0.649 . . . . 10.0 109.551 179.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 43.5 mt -62.73 -34.78 77.9 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 109.336 -0.616 . . . . 10.0 109.336 178.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -62.19 -52.58 63.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.498 -0.773 . . . . 10.0 109.208 178.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -64.36 -36.02 82.78 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 116.123 -0.49 . . . . 10.0 110.101 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 8.8 mt -59.47 -51.97 67.59 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.262 -0.644 . . . . 10.0 109.262 178.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -66.45 -39.18 88.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.35 -0.386 . . . . 10.0 110.889 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -64.7 -23.31 67.21 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.885 179.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 572' ' ' GLY . . . . . 0.414 ' O ' ' HB ' ' D' ' 576' ' ' VAL . . . -97.6 -29.74 7.63 Favored Glycine 0 N--CA 1.446 -0.668 0 N-CA-C 111.08 -0.808 . . . . 10.0 111.08 178.591 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 573' ' ' LEU . . . . . 0.404 ' HA ' HG12 ' D' ' 576' ' ' VAL . 32.2 mt -70.54 -38.05 74.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.753 -0.224 . . . . 10.0 111.312 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 76.8 mt -56.37 -61.7 6.19 Favored Pre-proline 0 CA--C 1.536 0.437 0 N-CA-C 112.48 0.548 . . . . 10.0 112.48 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -64.96 -32.9 53.55 Favored 'Trans proline' 0 C--N 1.351 0.665 0 C-N-CA 121.766 1.644 . . . . 10.0 111.982 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 576' ' ' VAL . . . . . 0.414 ' HB ' ' O ' ' D' ' 572' ' ' GLY . 0.3 OUTLIER -68.56 -39.34 80.4 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-O 120.729 0.299 . . . . 10.0 110.671 179.783 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 10.3 mt -65.96 -45.27 82.36 Favored 'General case' 0 CA--C 1.515 -0.402 0 N-CA-C 109.565 -0.532 . . . . 10.0 109.565 178.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 578' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -58.8 -42.35 88.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.675 179.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 32.2 m -71.1 -40.65 71.38 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.266 -0.424 . . . . 10.0 110.555 179.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 3.1 m-30 -64.82 -38.13 89.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.603 -0.271 . . . . 10.0 111.246 179.082 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 83.1 mttt -56.61 -45.71 81.3 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.391 -0.368 . . . . 10.0 110.685 179.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 68.8 t -64.43 -38.3 82.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.292 0.568 . . . . 10.0 109.962 179.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 5.5 m -65.35 -38.42 90.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.703 -0.68 . . . . 10.0 110.553 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -73.18 -41.61 63.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.278 179.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 77.9 mt -60.67 -53.54 56.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.984 -0.553 . . . . 10.0 111.336 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 586' ' ' SER . . . . . 0.402 ' O ' ' HG3' ' D' ' 590' ' ' GLU . 23.4 p -63.05 -30.76 71.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.927 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -71.61 -56.7 5.36 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 116.503 -0.317 . . . . 10.0 110.181 178.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 87.5 mt -57.49 -42.96 83.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.075 -0.512 . . . . 10.0 111.737 -179.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 589' ' ' GLU . . . . . 0.429 ' O ' ' HG3' ' D' ' 593' ' ' LYS . 18.7 tt0 -59.41 -50.99 71.84 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.544 -0.298 . . . . 10.0 110.999 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 590' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' D' ' 586' ' ' SER . 5.8 mt-10 -68.56 -33.57 74.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.446 -0.343 . . . . 10.0 111.36 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -61.81 -42.59 99.21 Favored 'General case' 0 C--N 1.333 -0.127 0 N-CA-C 109.66 -0.496 . . . . 10.0 109.66 178.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 6.0 m -69.05 -30.43 68.78 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.163 179.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 593' ' ' LYS . . . . . 0.429 ' HG3' ' O ' ' D' ' 589' ' ' GLU . 85.5 mttt -68.84 -37.94 79.48 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.923 0.392 . . . . 10.0 110.209 178.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 594' ' ' LYS . . . . . 0.678 ' HE2' ' HB2' ' A' ' 388' ' ' SER . 12.4 mptt -79.4 -35.57 40.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.976 -0.556 . . . . 10.0 111.085 179.608 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 91.1 mt -88.46 26.35 1.48 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.0 0.429 . . . . 10.0 111.431 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 . . . . . 0 C--N 1.324 -0.524 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.97 -179.826 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.451 -0.401 0 CA-C-O 121.269 0.557 . . . . 10.0 110.683 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . 0.45 ' HB ' ' CE2' ' B' ' 4' ' ' TYR . 0.0 OUTLIER -85.98 118.24 25.34 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.277 -179.663 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -85.91 127.83 34.7 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.767 -0.457 . . . . 10.0 109.767 179.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' TYR . . . . . 0.45 ' CE2' ' HB ' ' B' ' 2' ' ' THR . 46.8 m-85 -124.63 119.75 29.9 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 120.725 0.297 . . . . 10.0 110.75 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 50.2 mttm -87.21 110.22 20.02 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.044 -0.525 . . . . 10.0 111.005 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.528 HD11 HD22 ' B' ' 53' ' ' LEU . 0.4 OUTLIER -115.09 127.27 55.5 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.589 -179.115 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.437 HG11 ' CD2' ' B' ' 71' ' ' TYR . 47.7 t -114.45 124.64 71.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.015 0.436 . . . . 10.0 110.721 179.419 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.637 HG12 ' HD2' ' B' ' 16' ' ' LYS . 6.0 t -86.89 110.23 20.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.08 -0.711 . . . . 10.0 109.08 179.034 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 16.1 m -111.63 147.96 15.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.184 0.516 . . . . 10.0 111.769 -178.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 149.87 175.8 22.41 Favored Glycine 0 N--CA 1.446 -0.692 0 CA-C-N 115.57 -0.741 . . . . 10.0 111.477 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.18 178.01 4.11 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.01 0.433 . . . . 10.0 111.138 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -89.8 146.39 24.49 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.416 -0.357 . . . . 10.0 110.689 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . 0.914 ' HA2' H5'1 ' B' ' 201' ' ' GSP . . . 83.72 7.21 86.26 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 121.051 -0.595 . . . . 10.0 113.623 179.143 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 24.3 m -89.65 -16.85 8.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 112.265 0.468 . . . . 10.0 112.265 -179.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . 0.729 ' HA2' ' H8 ' ' B' ' 201' ' ' GSP . . . 110.35 22.16 6.59 Favored Glycine 0 C--N 1.331 0.281 0 C-N-CA 120.534 -0.841 . . . . 10.0 113.34 179.224 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.637 ' HD2' HG12 ' B' ' 8' ' ' VAL . 11.6 mtmm -60.17 -42.54 95.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.221 0.534 . . . . 10.0 111.184 -179.414 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . 0.488 ' OG ' ' O3G' ' B' ' 201' ' ' GSP . 60.9 m -86.21 -33.54 20.73 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.974 -179.368 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.59 -46.34 87.16 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.949 179.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 88.8 mt -63.69 -39.28 93.93 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.198 0.523 . . . . 10.0 110.695 179.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 25.3 m -68.35 -42.05 79.79 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.892 -0.594 . . . . 10.0 111.023 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . 0.431 HG13 ' O ' ' B' ' 17' ' ' SER . 97.8 mt -63.34 -35.65 73.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 109.819 -0.437 . . . . 10.0 109.819 179.397 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . 0.446 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 6.7 mm-40 -70.75 -16.85 62.79 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.236 179.374 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -94.4 -39.0 10.69 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.086 0.469 . . . . 10.0 111.267 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 38.5 mm -86.68 -65.62 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.111 -0.495 . . . . 10.0 111.96 -179.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -83.18 -13.83 54.65 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.86 0.362 . . . . 10.0 111.834 -179.027 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . 0.446 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 54.3 m-80 62.54 44.52 6.89 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 113.97 1.1 . . . . 10.0 113.97 178.065 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 5.6 p80 -152.48 159.39 43.34 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 122.246 -0.284 . . . . 10.0 111.058 178.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -114.2 121.07 42.61 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.272 -0.422 . . . . 10.0 111.377 -179.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 6.7 m -95.93 142.97 12.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.124 -0.489 . . . . 10.0 109.795 179.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.13 15.66 14.73 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.011 0.434 . . . . 10.0 110.321 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -104.79 131.47 52.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.464 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . 1.017 ' HD1' H5'2 ' B' ' 201' ' ' GSP . 25.2 t80 -81.9 120.3 25.03 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.952 -0.388 . . . . 10.0 109.952 178.573 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . 0.492 ' HA ' ' HD3' ' B' ' 34' ' ' PRO . 2.1 t70 -117.31 117.08 36.88 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-O 121.234 0.54 . . . . 10.0 111.163 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . 0.586 ' HA ' ' S1G' ' B' ' 201' ' ' GSP . 2.3 Cg_endo -86.44 63.63 4.86 Favored 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 123.239 2.626 . . . . 10.0 111.77 179.437 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.441 ' OG1' ' O3G' ' B' ' 201' ' ' GSP . 0.0 OUTLIER -63.75 118.27 8.07 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 116.167 -0.469 . . . . 10.0 111.122 179.818 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.864 ' HA ' ' HB2' ' B' ' 59' ' ' ALA . 42.6 mm -75.12 -49.44 28.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.502 -0.555 . . . . 10.0 109.502 179.082 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -140.15 115.76 10.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.769 -0.65 . . . . 10.0 110.25 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . 0.685 ' HB3' ' HB3' ' B' ' 57' ' ' ASP . 35.0 t0 -140.56 143.6 35.43 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.668 -0.494 . . . . 10.0 109.668 179.52 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 3.0 p -134.18 143.62 48.0 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.739 0.304 . . . . 10.0 111.064 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -138.16 146.96 43.37 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.48 -0.327 . . . . 10.0 111.145 -179.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.472 ' HA ' ' O ' ' B' ' 53' ' ' LEU . 2.2 mpp_? -123.49 139.71 53.74 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.07 179.292 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 54.5 tttp -152.16 133.89 14.75 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 110.307 -0.257 . . . . 10.0 110.307 -179.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.25 107.22 18.08 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.961 -0.385 . . . . 10.0 109.961 179.625 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 2.2 m -123.26 160.67 26.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.396 -0.365 . . . . 10.0 111.632 -179.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 16.5 t -98.15 103.93 15.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.072 -0.513 . . . . 10.0 109.72 179.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 79.8 mt -109.79 118.82 57.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.314 -0.403 . . . . 10.0 110.232 -179.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . 0.46 ' HA ' ' HB2' ' C' ' 128' ' ' LYS . 74.9 m-20 62.98 29.06 16.47 Favored 'General case' 0 C--O 1.234 0.273 0 O-C-N 123.617 0.573 . . . . 10.0 110.805 -179.63 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.52 -3.69 81.28 Favored Glycine 0 N--CA 1.452 -0.295 0 CA-C-N 115.657 -0.701 . . . . 10.0 111.979 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -107.08 116.85 32.65 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 110.26 -0.274 . . . . 10.0 110.26 -178.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.84 125.09 24.25 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.972 -0.381 . . . . 10.0 109.972 179.552 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 39.4 m -130.56 136.99 49.47 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 121.173 0.511 . . . . 10.0 111.88 -179.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 65.0 tp -95.18 113.57 25.27 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.291 -0.868 . . . . 10.0 108.729 178.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . 0.528 HD22 HD11 ' B' ' 6' ' ' LEU . 29.5 mt -84.59 117.93 24.04 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.824 -0.625 . . . . 10.0 112.135 -178.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -103.63 79.43 1.68 Allowed 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 107.332 -1.358 . . . . 10.0 107.332 177.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' ILE . . . . . 0.411 HG12 HD12 ' B' ' 6' ' ' LEU . 0.9 OUTLIER -79.92 148.14 6.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.088 -0.96 . . . . 10.0 111.834 -177.41 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 29.9 tp -135.74 111.5 9.39 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 115.645 -0.707 . . . . 10.0 110.745 179.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . 0.685 ' HB3' ' HB3' ' B' ' 38' ' ' ASP . 21.6 t70 -91.52 119.12 31.19 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.581 -0.896 . . . . 10.0 108.581 179.406 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 23.5 p -116.27 152.66 33.39 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.289 -0.414 . . . . 10.0 111.425 -178.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' ALA . . . . . 0.864 ' HB2' ' HA ' ' B' ' 36' ' ' ILE . . . -66.34 151.96 46.01 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.393 179.344 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -130.88 37.75 2.05 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.427 -0.892 . . . . 10.0 111.997 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . 0.446 HE21 ' HB3' ' B' ' 61' ' ' GLN . 6.2 mt-30 -91.42 12.87 19.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.838 0.351 . . . . 10.0 110.816 -179.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 69.27 172.31 0.3 Allowed 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.501 -0.772 . . . . 10.0 112.089 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 68.8 50.4 0.64 Allowed 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 121.543 0.687 . . . . 10.0 110.195 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' TYR . . . . . 0.492 ' O ' ' HB2' ' B' ' 68' ' ' ARG . 57.0 m-85 -135.29 41.79 2.77 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.516 -0.766 . . . . 10.0 109.391 179.527 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -56.49 -44.78 80.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.66 -0.7 . . . . 10.0 112.653 -178.483 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -77.43 -41.74 38.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.13 0.49 . . . . 10.0 111.883 -179.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 28.0 ttt -64.57 -40.24 95.2 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.874 -0.603 . . . . 10.0 111.821 -179.227 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . 0.662 ' HG2' ' HE3' ' B' ' 72' ' ' MET . 0.3 OUTLIER -58.84 -48.19 82.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 10.0 111.663 -179.45 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -55.37 -36.85 66.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.562 -0.745 . . . . 10.0 111.798 -179.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -61.49 -60.59 3.48 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.466 0.543 . . . . 10.0 112.466 -178.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' TYR . . . . . 0.437 ' CD2' HG11 ' B' ' 7' ' ' VAL . 30.1 p90 -71.85 -22.9 61.46 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 113.412 0.893 . . . . 10.0 113.412 -178.725 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . 0.662 ' HE3' ' HG2' ' B' ' 68' ' ' ARG . 34.1 mtt -65.25 -32.43 74.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.081 0.467 . . . . 10.0 110.65 179.097 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . 0.738 ' HG3' HG12 ' B' ' 103' ' ' VAL . 7.6 mtm105 -87.96 1.56 53.81 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.222 -0.444 . . . . 10.0 110.356 179.763 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 9.3 m -108.79 -51.01 2.94 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.617 -179.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.93 147.21 46.05 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 121.129 -0.558 . . . . 10.0 113.608 -179.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -95.48 -48.9 5.65 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.724 -0.473 . . . . 10.0 109.724 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -108.1 132.28 11.03 Favored Glycine 0 N--CA 1.444 -0.774 0 N-CA-C 111.364 -0.694 . . . . 10.0 111.364 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . 0.625 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 82.9 m-85 -110.84 119.88 40.57 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.348 0.594 . . . . 10.0 111.806 -179.48 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 12.6 tp -90.12 104.19 16.78 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.49 -0.777 . . . . 10.0 109.466 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . 0.599 ' HB3' HD12 ' B' ' 93' ' ' ILE . 35.5 m -83.66 95.01 8.24 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.458 -0.337 . . . . 10.0 110.37 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 44.9 t -98.31 123.98 51.15 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 CA-C-O 120.935 0.398 . . . . 10.0 110.769 -179.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 32.2 p90 -127.23 161.82 27.64 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.364 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.741 ' HB3' ' HB3' ' B' ' 86' ' ' ASN . . . -97.32 125.63 42.03 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.194 179.604 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 2.2 pp -64.51 -23.35 33.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 111.774 0.287 . . . . 10.0 111.774 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 27.3 p-10 -100.02 11.24 39.81 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.322 -0.399 . . . . 10.0 111.117 -179.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.741 ' HB3' ' HB3' ' B' ' 83' ' ' ALA . 25.7 t-20 -136.45 95.86 3.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.103 0.478 . . . . 10.0 110.035 179.613 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.97 -30.71 68.13 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.679 -0.691 . . . . 10.0 112.23 -178.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -57.77 -47.7 81.78 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.192 -0.458 . . . . 10.0 111.602 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . 0.471 ' O ' HG12 ' B' ' 93' ' ' ILE . 78.6 p -62.2 -35.81 79.99 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 111.827 0.306 . . . . 10.0 111.827 -179.588 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -66.92 -43.52 83.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.139 0.495 . . . . 10.0 110.535 179.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -69.01 -33.01 72.97 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.064 0.459 . . . . 10.0 110.271 178.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.66 -27.48 68.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.392 -0.822 . . . . 10.0 110.983 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 93' ' ' ILE . . . . . 0.599 HD12 ' HB3' ' B' ' 80' ' ' CYS . 44.7 mm -56.84 -38.77 60.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-N 116.092 -0.504 . . . . 10.0 110.157 178.71 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 57.5 t60 -62.6 -46.08 89.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.976 -0.557 . . . . 10.0 109.845 179.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 24.2 m-70 -68.57 -31.28 70.37 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.035 -0.53 . . . . 10.0 111.529 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 96' ' ' TYR . . . . . 0.5 ' O ' HG13 ' B' ' 100' ' ' ILE . 20.2 m-30 -67.93 -49.22 63.08 Favored 'General case' 0 CA--C 1.521 -0.165 0 N-CA-C 109.37 -0.604 . . . . 10.0 109.37 178.722 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 97' ' ' ARG . . . . . 0.483 ' CZ ' ' HD3' ' B' ' 101' ' ' LYS . 4.3 tmt_? -58.87 -43.37 90.84 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.756 -0.657 . . . . 10.0 111.034 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -62.15 -35.57 79.19 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.941 0.4 . . . . 10.0 110.69 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 99' ' ' GLN . . . . . 0.465 ' O ' HG23 ' B' ' 103' ' ' VAL . 63.2 tt0 -70.54 -44.34 67.68 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.101 -0.499 . . . . 10.0 109.856 179.165 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . 0.5 HG13 ' O ' ' B' ' 96' ' ' TYR . 84.0 mt -56.7 -45.09 82.66 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.746 179.613 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . 0.483 ' HD3' ' CZ ' ' B' ' 97' ' ' ARG . 32.4 mtmt -57.67 -40.15 78.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.973 -0.558 . . . . 10.0 111.695 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 15.9 ttm180 -66.95 -45.7 76.97 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.934 -0.576 . . . . 10.0 110.877 -179.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . 0.738 HG12 ' HG3' ' B' ' 73' ' ' ARG . 33.3 t -66.93 -49.28 75.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.853 -0.612 . . . . 10.0 112.348 -179.081 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . 0.436 ' HD2' ' HE2' ' B' ' 78' ' ' PHE . 24.2 mtpp -79.37 -11.53 59.92 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.567 -0.288 . . . . 10.0 111.297 -179.21 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 7.8 t70 56.65 51.19 11.44 Favored 'General case' 0 N--CA 1.465 0.31 0 O-C-N 123.638 0.586 . . . . 10.0 111.594 179.396 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 8.9 t -157.15 152.11 25.9 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.948 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 28.1 tp10 -93.45 -14.52 26.62 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.249 0.547 . . . . 10.0 109.795 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -112.5 106.56 15.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.947 -0.569 . . . . 10.0 110.048 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 0.432 ' HA ' ' HD3' ' B' ' 110' ' ' PRO . 61.9 t -131.77 132.22 23.17 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.404 -0.362 . . . . 10.0 110.325 -179.182 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 110' ' ' PRO . . . . . 0.675 ' HG3' ' HB2' ' B' ' 166' ' ' HIS . 24.7 Cg_exo -64.61 103.59 0.48 Allowed 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.857 2.371 . . . . 10.0 111.829 179.321 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 111' ' ' MET . . . . . 0.625 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 46.6 mtm -134.0 155.91 49.13 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.244 -0.434 . . . . 10.0 110.038 179.774 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 69.4 t -136.2 127.66 43.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.526 -0.546 . . . . 10.0 109.526 179.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 19.2 tp -84.92 111.87 20.06 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.399 -0.593 . . . . 10.0 109.399 179.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 77.2 t -115.86 118.22 58.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.15 -0.477 . . . . 10.0 111.664 -178.279 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -97.45 122.61 7.52 Favored Glycine 0 N--CA 1.444 -0.773 0 N-CA-C 109.451 -1.46 . . . . 10.0 109.451 178.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 116' ' ' ASN . . . . . 0.457 ' ND2' ' N7 ' ' B' ' 201' ' ' GSP . 65.0 t30 -105.95 158.56 16.69 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 117.179 0.489 . . . . 10.0 111.613 -178.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . 0.522 ' HE2' ' C4 ' ' B' ' 201' ' ' GSP . 70.4 mttt 68.22 29.04 6.24 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 123.862 0.726 . . . . 10.0 111.489 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 94.3 m -64.98 -9.8 24.35 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 112.832 0.678 . . . . 10.0 112.832 -179.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -94.41 1.43 55.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.936 0.398 . . . . 10.0 111.465 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . 0.475 ' HA ' ' HD3' ' B' ' 121' ' ' PRO . 21.4 mt -85.17 141.56 37.44 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.584 -0.28 . . . . 10.0 110.571 179.298 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 121' ' ' PRO . . . . . 0.475 ' HD3' ' HA ' ' B' ' 120' ' ' LEU . 14.9 Cg_exo -70.29 135.88 30.25 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.906 2.404 . . . . 10.0 112.431 -179.522 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 4.2 m 71.86 93.93 0.08 Allowed 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 113.064 0.764 . . . . 10.0 113.064 179.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -106.04 146.45 30.09 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.924 -0.58 . . . . 10.0 109.781 179.176 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.72 -49.6 8.96 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 120.697 0.284 . . . . 10.0 111.45 -179.516 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 95.7 t -89.31 118.31 34.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 N-CA-C 109.525 -0.546 . . . . 10.0 109.525 179.109 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -74.03 152.32 40.03 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.94 -0.573 . . . . 10.0 109.893 179.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 1.2 m -59.71 -31.25 69.43 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.427 -0.351 . . . . 10.0 111.021 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 128' ' ' LYS . . . . . 0.79 ' HB3' ' HA ' ' C' ' 47' ' ' ASP . 31.9 mtmm -59.85 -59.55 5.24 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.305 -0.407 . . . . 10.0 111.472 179.532 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -64.37 -30.21 71.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.393 -0.367 . . . . 10.0 111.73 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.8 -45.0 88.12 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.939 0.4 . . . . 10.0 110.637 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -74.45 -25.18 59.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.796 179.61 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -64.28 -48.36 76.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.923 -0.581 . . . . 10.0 110.3 178.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 48.5 tp -61.5 -46.27 90.69 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.174 0.512 . . . . 10.0 110.939 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.8 -39.66 92.49 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.537 -0.756 . . . . 10.0 111.172 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 10.9 ttm180 -59.95 -46.78 88.3 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.408 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 22.3 m -69.7 -28.62 65.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.305 -0.407 . . . . 10.0 111.859 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 2.4 m-30 -78.88 -35.47 43.65 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.146 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 97.43 21.65 19.02 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.821 -0.704 . . . . 10.0 111.596 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 36.4 pt -118.06 153.21 51.17 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-O 120.6 0.238 . . . . 10.0 110.468 -179.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -78.13 146.93 23.1 Favored 'Trans proline' 0 CA--C 1.531 0.352 0 C-N-CA 122.404 2.07 . . . . 10.0 112.562 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -114.83 130.73 56.92 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.017 -0.538 . . . . 10.0 109.934 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 142' ' ' ILE . . . . . 0.519 ' CD1' ' HA ' ' B' ' 155' ' ' ALA . 34.9 mt -128.86 133.67 65.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.996 0.427 . . . . 10.0 111.597 -179.439 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -93.04 118.22 30.94 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 107.958 -1.127 . . . . 10.0 107.958 178.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 51.6 p -126.38 178.93 5.55 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 113.318 0.859 . . . . 10.0 113.318 -177.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 13.5 t -163.06 121.62 2.06 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.9 -1.148 . . . . 10.0 107.9 178.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -75.86 -23.74 55.69 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.299 0.571 . . . . 10.0 109.582 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 72.1 tttt -64.97 -52.53 55.78 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.055 -0.975 . . . . 10.0 111.114 179.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -92.58 -7.54 46.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.574 0.226 . . . . 10.0 111.117 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 149' ' ' ARG . . . . . 0.422 ' O ' ' HG3' ' B' ' 149' ' ' ARG . 0.6 OUTLIER 60.69 15.6 5.94 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 113.044 0.757 . . . . 10.0 113.044 -179.791 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -84.44 126.73 33.52 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.544 -179.493 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 92.57 -14.87 63.8 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 120.902 -0.666 . . . . 10.0 112.892 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 152' ' ' VAL . . . . . 0.426 ' O ' ' HD2' ' B' ' 156' ' ' PHE . 67.6 t -57.83 -48.9 82.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.923 0.392 . . . . 10.0 111.353 -179.705 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -63.01 -45.37 92.68 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.401 -0.363 . . . . 10.0 110.443 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -55.87 -43.75 77.43 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.716 -0.674 . . . . 10.0 111.61 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 155' ' ' ALA . . . . . 0.519 ' HA ' ' CD1' ' B' ' 142' ' ' ILE . . . -60.06 -47.35 86.24 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.832 -0.622 . . . . 10.0 111.879 179.744 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 156' ' ' PHE . . . . . 0.426 ' HD2' ' O ' ' B' ' 152' ' ' VAL . 46.4 m-85 -66.26 -39.33 89.39 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.751 -179.543 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -63.71 -46.54 85.0 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.228 0.537 . . . . 10.0 110.286 179.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 158' ' ' THR . . . . . 0.421 ' O ' ' HG2' ' B' ' 162' ' ' GLU . 59.0 m -59.99 -47.28 86.49 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.2 -0.909 . . . . 10.0 113.002 -178.571 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 55.2 tp -57.6 -41.82 81.98 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 111.919 0.34 . . . . 10.0 111.919 -178.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 78.6 t -61.99 -40.12 86.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.19 0.519 . . . . 10.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 161' ' ' ARG . . . . . 0.554 ' HD2' ' HA ' ' C' ' 132' ' ' ASP . 7.1 ttp180 -69.45 -32.52 71.51 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.883 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 162' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' B' ' 158' ' ' THR . 33.2 mm-40 -67.03 -31.95 72.82 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.97 0.414 . . . . 10.0 110.18 178.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 78.6 mt -70.59 -42.91 78.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 108.645 -0.872 . . . . 10.0 108.645 178.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 24.9 ttm180 -63.61 -36.94 85.48 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 108.596 -0.89 . . . . 10.0 108.596 178.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 165' ' ' LYS . . . . . 0.485 ' HG2' ' CD ' ' B' ' 169' ' ' LYS . 32.8 ttmt -62.72 -43.56 98.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 114.862 -1.063 . . . . 10.0 110.23 178.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 166' ' ' HIS . . . . . 0.675 ' HB2' ' HG3' ' B' ' 110' ' ' PRO . 37.8 t-80 -56.53 -50.35 72.09 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.381 -0.372 . . . . 10.0 110.468 179.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -62.96 -41.71 99.61 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.999 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -63.08 -50.56 70.06 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.322 179.088 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 169' ' ' LYS . . . . . 0.485 ' CD ' ' HG2' ' B' ' 165' ' ' LYS . 6.5 mtpm? -59.8 -41.75 91.89 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.423 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 86.2 mmm -68.77 -28.25 66.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.35 -0.386 . . . . 10.0 111.831 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 49.7 m -71.83 -21.45 61.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.168 0.509 . . . . 10.0 110.329 179.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 42.9 mtpt -88.88 -8.5 54.16 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.816 -0.629 . . . . 10.0 109.873 179.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 173' ' ' ASP . . . . . . . . . . . . . 2.0 t70 70.8 -59.13 0.54 Allowed 'General case' 0 N--CA 1.468 0.445 0 O-C-N 124.028 0.83 . . . . 10.0 111.678 -179.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . 160.91 -136.64 4.55 Favored Glycine 0 N--CA 1.447 -0.623 0 N-CA-C 110.321 -1.112 . . . . 10.0 110.321 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 175' ' ' LYS . . . . . 0.64 ' H ' ' C3 ' ' C' ' 215' ' ' 17F . 5.9 ttpp -107.59 57.1 0.63 Allowed 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 108.74 -0.837 . . . . 10.0 108.74 179.137 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 176' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -76.87 -35.03 57.73 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.924 -0.58 . . . . 10.0 111.778 -179.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 177' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -97.55 123.66 41.51 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 112.232 0.456 . . . . 10.0 112.232 -178.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 178' ' ' LYS . . . . . 0.479 ' HE2' ' H2 ' ' B' ' 210' ' ' 17F . 9.3 ttmm -114.82 135.76 53.83 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.17 -0.678 . . . . 10.0 109.17 178.412 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 179' ' ' LYS . . . . . . . . . . . . . 36.7 tptt -104.12 80.15 1.69 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.042 0.448 . . . . 10.0 111.232 -179.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -126.86 96.55 4.67 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.169 -0.468 . . . . 10.0 110.45 179.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 4.3 m -88.95 131.13 35.29 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.406 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 182' ' ' LYS . . . . . 0.418 ' HB2' ' H ' ' B' ' 183' ' ' THR . 0.0 OUTLIER -129.74 -154.57 0.64 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.372 179.902 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 183' ' ' THR . . . . . 0.418 ' H ' ' HB2' ' B' ' 182' ' ' LYS . 0.0 OUTLIER -67.81 -68.97 0.35 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.429 -0.35 . . . . 10.0 111.093 179.768 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 184' ' ' LYS . . . . . 0.912 ' H ' ' H82' ' A' ' 409' ' ' PCW . 48.1 tttp . . . . . 0 C--O 1.234 0.243 0 CA-C-N 116.567 -0.288 . . . . 10.0 110.715 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 C--O 1.234 0.243 0 CA-C-O 120.523 0.202 . . . . 10.0 110.786 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 3.3 m -68.09 121.78 16.86 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 120.784 0.326 . . . . 10.0 110.962 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . 0.411 ' HA ' ' HB3' ' C' ' 52' ' ' LEU . 46.1 tt0 -92.25 137.18 32.58 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.827 0.346 . . . . 10.0 111.175 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 4' ' ' TYR . . . . . 0.5 ' CD2' ' HB3' ' C' ' 51' ' ' CYS . 86.7 m-85 -127.28 120.6 29.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.087 179.548 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 5' ' ' LYS . . . . . 0.508 ' HA ' ' HB3' ' C' ' 54' ' ' ASP . 49.9 mttm -88.52 109.09 19.77 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.231 0.539 . . . . 10.0 110.495 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . 0.577 ' O ' ' HA ' ' C' ' 55' ' ' ILE . 11.1 mt -109.67 118.65 37.12 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.239 -0.891 . . . . 10.0 110.503 -179.038 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 17.2 t -104.59 131.53 53.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 110.131 -0.322 . . . . 10.0 110.131 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 3.3 t -92.59 108.32 20.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 109.687 -0.486 . . . . 10.0 109.687 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . 0.471 HG23 ' HA ' ' C' ' 80' ' ' CYS . 15.8 m -106.98 147.45 12.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.569 -179.457 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 150.34 170.23 17.32 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.613 -0.803 . . . . 10.0 111.318 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.19 175.11 6.33 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.17 0.509 . . . . 10.0 110.586 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.03 153.37 21.06 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.037 -0.529 . . . . 10.0 111.071 179.708 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 13' ' ' GLY . . . . . 0.416 ' HA2' ' HE1' ' C' ' 32' ' ' TYR . . . 79.29 4.77 89.15 Favored Glycine 0 N--CA 1.447 -0.595 0 CA-C-N 115.582 -0.735 . . . . 10.0 113.261 179.544 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 17.0 m -86.56 -25.7 6.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 117.117 0.459 . . . . 10.0 111.317 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 113.59 26.52 3.9 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 120.515 -0.85 . . . . 10.0 114.14 178.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . 0.596 ' HE2' ' OD1' ' C' ' 57' ' ' ASP . 1.4 mtmm -62.85 -39.17 93.55 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 121.379 0.609 . . . . 10.0 110.789 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 3.8 m -74.93 -43.94 51.36 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.473 -0.785 . . . . 10.0 110.268 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.43 -44.99 76.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.066 -0.515 . . . . 10.0 111.232 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 94.9 mt -63.29 -52.53 61.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 10.0 111.85 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 3.7 m -63.36 -42.23 98.89 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.191 0.441 . . . . 10.0 112.191 -179.037 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 95.5 mt -64.49 -27.96 43.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.961 0.41 . . . . 10.0 110.765 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 22' ' ' GLN . . . . . 0.596 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 5.4 mm-40 -68.12 -14.74 63.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.135 -0.484 . . . . 10.0 111.618 179.18 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 23.1 tp -107.28 -35.46 6.81 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.89 0.376 . . . . 10.0 110.179 178.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 48.4 mm -75.97 -48.32 29.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.26 -0.427 . . . . 10.0 111.517 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -108.46 -17.24 14.03 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.728 0.299 . . . . 10.0 110.527 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 26' ' ' ASN . . . . . 0.596 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 2.1 t-20 65.52 37.5 6.03 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.806 -0.634 . . . . 10.0 111.279 -179.623 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -137.76 152.72 49.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.705 -0.68 . . . . 10.0 109.853 179.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -96.67 120.69 37.46 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.506 -0.316 . . . . 10.0 111.266 -179.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 29' ' ' VAL . . . . . 0.413 HG22 ' H ' ' C' ' 29' ' ' VAL . 0.2 OUTLIER -78.96 111.79 16.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.026 -0.533 . . . . 10.0 109.821 179.585 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -91.53 -11.52 37.12 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.115 0.483 . . . . 10.0 110.108 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -106.64 119.64 39.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.456 -0.793 . . . . 10.0 109.658 178.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 32' ' ' TYR . . . . . 0.721 ' CD1' H5'2 ' C' ' 201' ' ' GSP . 40.4 t80 -65.22 135.39 55.36 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.357 0.503 . . . . 10.0 112.357 -178.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . 0.432 ' O ' ' S1G' ' C' ' 201' ' ' GSP . 35.3 t70 -139.45 106.02 7.11 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 115.954 -0.566 . . . . 10.0 109.627 178.11 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_exo -53.11 124.41 15.55 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 123.179 2.586 . . . . 10.0 112.279 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 35' ' ' THR . . . . . 0.413 ' OG1' ' O3G' ' C' ' 201' ' ' GSP . 3.3 m -98.55 122.11 41.34 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.585 -179.453 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 47.9 mm -93.54 -49.7 12.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 108.996 -0.742 . . . . 10.0 108.996 178.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -168.15 85.05 0.19 Allowed 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.363 -0.835 . . . . 10.0 109.166 179.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -114.5 123.12 48.61 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.418 -0.355 . . . . 10.0 110.626 -179.282 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 1.5 m -95.63 147.8 23.21 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.992 -179.119 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 40' ' ' TYR . . . . . 0.68 ' HB2' ' HB ' ' C' ' 55' ' ' ILE . 56.4 m-85 -129.01 136.92 50.96 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.493 -0.558 . . . . 10.0 109.493 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -128.11 139.73 52.34 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 121.28 -0.168 . . . . 10.0 110.555 179.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 42.4 tttp -158.2 161.77 37.84 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.413 -0.358 . . . . 10.0 110.272 -179.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -129.86 112.42 13.55 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.576 -0.528 . . . . 10.0 109.576 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 24.4 m -135.5 164.44 32.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.783 0.325 . . . . 10.0 111.105 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 62.4 t -98.53 116.82 42.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.304 179.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 75.0 mt -119.69 120.16 62.56 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 CA-C-N 115.806 -0.633 . . . . 10.0 110.12 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 47' ' ' ASP . . . . . 0.79 ' HA ' ' HB3' ' B' ' 128' ' ' LYS . 41.2 m-20 63.05 16.83 9.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.492 -0.776 . . . . 10.0 111.612 -179.444 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.07 -7.48 52.42 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.898 -0.667 . . . . 10.0 112.551 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -105.46 135.25 47.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.563 0.221 . . . . 10.0 110.666 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 1.7 m -80.61 105.79 12.12 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.997 -1.112 . . . . 10.0 107.997 178.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 51' ' ' CYS . . . . . 0.5 ' HB3' ' CD2' ' C' ' 4' ' ' TYR . 3.1 m -103.76 138.02 40.97 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 112.554 0.576 . . . . 10.0 112.554 -177.44 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . 0.411 ' HB3' ' HA ' ' C' ' 3' ' ' GLU . 47.9 tp -91.03 115.9 28.38 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.447 -1.316 . . . . 10.0 107.447 177.451 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 34.0 mt -88.37 120.59 29.89 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 112.724 0.639 . . . . 10.0 112.724 -177.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . 0.508 ' HB3' ' HA ' ' C' ' 5' ' ' LYS . 38.9 t70 -111.16 81.98 1.53 Allowed 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 107.171 -1.418 . . . . 10.0 107.171 177.136 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 55' ' ' ILE . . . . . 0.68 ' HB ' ' HB2' ' C' ' 40' ' ' TYR . 1.1 mp -92.78 154.24 3.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.695 -0.684 . . . . 10.0 111.612 -178.16 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 21.3 tp -151.92 120.07 6.3 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.801 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 57' ' ' ASP . . . . . 0.596 ' OD1' ' HE2' ' C' ' 16' ' ' LYS . 18.6 t0 -96.01 118.64 33.01 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 108.746 -0.835 . . . . 10.0 108.746 178.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 15.7 p -103.24 171.86 7.14 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.175 0.512 . . . . 10.0 112.089 -178.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.86 145.91 49.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.813 -0.63 . . . . 10.0 111.149 -179.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -123.03 29.17 5.42 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.844 -0.694 . . . . 10.0 111.382 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -103.24 19.85 18.84 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.698 0.285 . . . . 10.0 110.685 -179.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 62' ' ' GLU . . . . . 0.471 ' HG3' ' H ' ' C' ' 63' ' ' GLU . 4.7 tp10 61.36 -154.18 0.36 Allowed 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.042 -179.019 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 63' ' ' GLU . . . . . 0.471 ' H ' ' HG3' ' C' ' 62' ' ' GLU . 2.7 tm-20 71.45 -50.03 0.69 Allowed 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 113.154 0.798 . . . . 10.0 113.154 179.555 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 64' ' ' TYR . . . . . 0.637 ' HB3' ' HB3' ' C' ' 67' ' ' MET . 58.3 m-85 -78.23 58.33 2.04 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.406 -0.361 . . . . 10.0 111.941 -179.403 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 1.1 m -68.28 -42.73 79.09 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.492 -0.322 . . . . 10.0 110.883 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.31 -33.28 49.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.947 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 67' ' ' MET . . . . . 0.637 ' HB3' ' HB3' ' C' ' 64' ' ' TYR . 4.3 ttp -68.9 -36.9 78.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.297 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 68' ' ' ARG . . . . . 0.522 ' HA ' ' CD2' ' C' ' 71' ' ' TYR . 12.8 ttp180 -65.1 -31.45 72.67 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.813 -0.63 . . . . 10.0 110.777 179.36 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -58.95 -38.23 78.57 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.569 -0.741 . . . . 10.0 111.06 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -59.17 -48.16 82.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.958 -0.565 . . . . 10.0 111.763 -179.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 71' ' ' TYR . . . . . 0.522 ' CD2' ' HA ' ' C' ' 68' ' ' ARG . 4.6 m-85 -66.71 -29.59 69.62 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.55 -0.295 . . . . 10.0 111.577 -178.483 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 72' ' ' MET . . . . . 0.549 ' HA ' ' CZ ' ' C' ' 78' ' ' PHE . 0.5 OUTLIER -64.41 -35.41 80.82 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.847 0.684 . . . . 10.0 112.847 -178.754 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 73' ' ' ARG . . . . . 0.662 ' HG3' HG12 ' C' ' 103' ' ' VAL . 30.0 mtm180 -78.79 -33.69 46.08 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.553 0.575 . . . . 10.0 112.553 -179.664 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 3.0 m -80.83 -41.97 22.39 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.304 0.483 . . . . 10.0 112.304 -179.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -69.2 148.57 47.72 Favored Glycine 0 CA--C 1.52 0.357 0 C-N-CA 121.075 -0.583 . . . . 10.0 113.638 -178.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -98.88 -56.3 2.47 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.783 -0.451 . . . . 10.0 109.783 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -107.28 139.25 14.89 Favored Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 111.328 -0.709 . . . . 10.0 111.328 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 78' ' ' PHE . . . . . 0.643 ' HB2' ' HG2' ' C' ' 111' ' ' MET . 96.2 m-85 -116.41 119.45 35.7 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.118 0.485 . . . . 10.0 111.828 -179.107 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . 0.612 ' HB2' HD22 ' C' ' 159' ' ' LEU . 14.0 tp -94.3 102.8 14.81 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.676 -0.693 . . . . 10.0 110.047 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 80' ' ' CYS . . . . . 0.471 ' HA ' HG23 ' C' ' 9' ' ' VAL . 0.1 OUTLIER -82.58 102.57 11.5 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.244 -179.782 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 61.2 t -105.68 131.17 55.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.041 -0.527 . . . . 10.0 111.203 -179.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 82' ' ' PHE . . . . . 0.403 ' HB2' ' HB2' ' C' ' 89' ' ' SER . 37.7 p90 -139.53 155.68 47.37 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.118 179.05 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 83' ' ' ALA . . . . . 0.449 ' HB1' ' OD1' ' C' ' 85' ' ' ASN . . . -89.61 127.95 35.98 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.353 -0.61 . . . . 10.0 109.353 179.491 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 84' ' ' ILE . . . . . 0.597 HD11 ' HA ' ' C' ' 118' ' ' CYS . 31.3 pt -67.43 -12.07 14.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 112.149 0.426 . . . . 10.0 112.149 -179.403 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 85' ' ' ASN . . . . . 0.449 ' OD1' ' HB1' ' C' ' 83' ' ' ALA . 5.2 p-10 -92.98 -3.85 53.71 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.839 -0.619 . . . . 10.0 110.674 179.426 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -128.44 106.13 8.78 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.116 0.484 . . . . 10.0 111.273 -179.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.98 -26.85 68.47 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.787 -0.642 . . . . 10.0 110.766 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 24.4 tptp -59.92 -46.72 88.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.641 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . 0.474 ' HA ' ' HB2' ' C' ' 92' ' ' ASP . 0.2 OUTLIER -67.43 -25.36 65.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.469 -0.332 . . . . 10.0 111.689 179.774 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -66.19 -44.13 84.83 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.727 -0.471 . . . . 10.0 109.727 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -73.11 -31.08 64.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.815 -0.63 . . . . 10.0 110.374 178.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 92' ' ' ASP . . . . . 0.474 ' HB2' ' HA ' ' C' ' 89' ' ' SER . 0.3 OUTLIER -56.39 -38.88 72.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.459 -0.792 . . . . 10.0 110.232 179.539 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 93' ' ' ILE . . . . . 0.43 HG12 ' O ' ' C' ' 89' ' ' SER . 42.0 mm -57.13 -39.98 70.31 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 CA-C-N 115.719 -0.673 . . . . 10.0 111.44 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -60.31 -45.3 93.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.081 -0.509 . . . . 10.0 111.014 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 38.9 m-70 -64.0 -38.34 90.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.69 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -64.65 -43.95 92.0 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.286 179.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 29.1 ttt-85 -58.0 -43.05 86.43 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.325 -0.398 . . . . 10.0 111.154 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -63.85 -41.62 97.77 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.936 -0.575 . . . . 10.0 111.807 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 99' ' ' GLN . . . . . 0.475 ' O ' HG23 ' C' ' 103' ' ' VAL . 63.8 tt0 -67.97 -45.09 75.16 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 121.078 -0.249 . . . . 10.0 111.138 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 94.6 mt -54.75 -47.73 73.66 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 CA-C-O 120.671 0.272 . . . . 10.0 111.154 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 17.9 mtmt -64.69 -30.48 71.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.992 0.425 . . . . 10.0 111.671 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 4.3 ttm180 -74.15 -44.46 53.49 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.701 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 103' ' ' VAL . . . . . 0.662 HG12 ' HG3' ' C' ' 73' ' ' ARG . 61.5 t -68.73 -44.45 82.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.926 -0.579 . . . . 10.0 111.901 -178.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -85.58 -10.9 55.22 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.828 0.307 . . . . 10.0 111.828 -179.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 14.8 t70 54.1 53.28 11.32 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.5 0.666 . . . . 10.0 111.487 -179.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 64.4 m -155.84 129.49 8.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.393 -0.821 . . . . 10.0 109.731 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 32.3 tp10 -76.33 -25.44 54.73 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.148 0.499 . . . . 10.0 110.294 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -103.48 97.67 7.69 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.161 -0.472 . . . . 10.0 111.184 -179.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 58.2 t -123.39 125.82 26.02 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 115.767 -0.651 . . . . 10.0 109.824 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_endo -57.78 105.99 0.23 Allowed 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.944 2.429 . . . . 10.0 112.147 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 111' ' ' MET . . . . . 0.643 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 50.6 mtm -138.66 156.15 47.67 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.414 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 112' ' ' VAL . . . . . 0.402 ' HB ' HD12 ' C' ' 79' ' ' LEU . 92.1 t -133.74 128.73 54.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.866 -0.606 . . . . 10.0 109.373 179.587 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 113' ' ' LEU . . . . . 0.407 ' O ' ' HA ' ' C' ' 141' ' ' PHE . 15.0 tp -84.79 118.1 24.25 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.477 -0.564 . . . . 10.0 109.477 179.537 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 82.9 t -121.82 126.6 74.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.232 0.539 . . . . 10.0 111.818 -178.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -103.41 129.08 9.74 Favored Glycine 0 N--CA 1.441 -0.994 0 N-CA-C 109.586 -1.405 . . . . 10.0 109.586 178.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -110.39 165.03 12.11 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 117.084 0.442 . . . . 10.0 111.638 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 117' ' ' LYS . . . . . . . . . . . . . 95.9 mttt 69.35 34.91 2.76 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.322 -0.854 . . . . 10.0 112.281 179.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 118' ' ' CYS . . . . . 0.597 ' HA ' HD11 ' C' ' 84' ' ' ILE . 64.6 m -71.57 -11.31 60.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 10.0 111.541 179.563 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -76.46 -34.17 58.71 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.119 0.485 . . . . 10.0 109.806 179.065 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 120' ' ' LEU . . . . . 0.47 ' HA ' ' HD3' ' C' ' 121' ' ' PRO . 91.7 mt -67.88 134.72 92.05 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 115.678 -0.692 . . . . 10.0 111.487 -179.333 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 121' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' C' ' 120' ' ' LEU . 8.6 Cg_exo -73.49 172.4 15.78 Favored 'Trans proline' 0 C--O 1.237 0.473 0 C-N-CA 123.423 2.748 . . . . 10.0 111.889 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 5.7 m 59.25 57.06 3.57 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.724 -0.671 . . . . 10.0 111.497 -179.439 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 123' ' ' ARG . . . . . 0.448 HH11 ' HD3' ' C' ' 123' ' ' ARG . 0.0 OUTLIER -68.27 124.76 24.37 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.917 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -78.25 -38.69 42.25 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.142 0.496 . . . . 10.0 110.117 179.461 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 48.0 t -101.29 122.21 53.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.421 179.298 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -86.26 162.1 18.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.838 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 1.5 m -62.93 -42.21 99.73 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.047 -0.524 . . . . 10.0 111.716 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 128' ' ' LYS . . . . . 0.46 ' HB2' ' HA ' ' B' ' 47' ' ' ASP . 11.7 pttp -54.11 -57.87 9.46 Favored 'General case' 0 C--N 1.334 -0.099 0 N-CA-C 113.149 0.796 . . . . 10.0 113.149 -178.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -59.24 -36.68 75.9 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.729 0.64 . . . . 10.0 112.729 -178.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -75.66 -38.5 58.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.063 0.459 . . . . 10.0 111.175 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -71.44 -45.82 61.65 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.117 -0.492 . . . . 10.0 112.015 -179.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 132' ' ' ASP . . . . . 0.554 ' HA ' ' HD2' ' B' ' 161' ' ' ARG . 31.9 t0 -62.94 -33.88 76.29 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.99 0.424 . . . . 10.0 110.444 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 27.1 tp -64.36 -47.48 79.14 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.891 -0.781 . . . . 10.0 108.891 178.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 134' ' ' ALA . . . . . 0.442 ' HB1' HG13 ' C' ' 139' ' ' ILE . . . -64.79 -37.79 88.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.34 -0.845 . . . . 10.0 110.415 178.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 135' ' ' ARG . . . . . 0.487 ' HG3' ' HG2' ' B' ' 161' ' ' ARG . 5.9 tmm_? -62.67 -47.13 85.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.689 -0.687 . . . . 10.0 110.229 179.201 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 21.9 m -61.46 -35.47 77.7 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.77 -0.65 . . . . 10.0 112.003 -179.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 20.5 m-30 -84.8 -32.52 23.3 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 111.994 0.368 . . . . 10.0 111.994 -178.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 104.2 37.83 2.8 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.703 -0.761 . . . . 10.0 113.297 179.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 139' ' ' ILE . . . . . 0.442 HG13 ' HB1' ' C' ' 134' ' ' ALA . 11.9 pt -133.67 157.36 78.12 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 122.565 -0.373 . . . . 10.0 110.5 179.399 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -84.0 152.09 12.67 Favored 'Trans proline' 0 N--CA 1.462 -0.376 0 C-N-CA 122.424 2.083 . . . . 10.0 112.13 179.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 141' ' ' PHE . . . . . 0.407 ' HA ' ' O ' ' C' ' 113' ' ' LEU . 73.7 t80 -124.39 133.79 53.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.143 -0.481 . . . . 10.0 110.099 179.384 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 142' ' ' ILE . . . . . 0.478 HD12 ' HA ' ' C' ' 155' ' ' ALA . 60.1 mt -131.08 126.92 60.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.762 0.315 . . . . 10.0 111.248 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -86.78 123.36 31.84 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.517 -0.92 . . . . 10.0 108.517 178.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 144' ' ' THR . . . . . 0.413 HG23 HG22 ' C' ' 142' ' ' ILE . 26.7 p -138.15 177.57 7.78 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.885 0.85 . . . . 10.0 112.288 -178.613 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.21 122.66 3.32 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.729 -1.123 . . . . 10.0 108.033 178.442 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -64.58 -26.12 68.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.916 0.388 . . . . 10.0 111.096 -179.148 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 5.0 mtpt -61.16 -50.22 74.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.795 -0.639 . . . . 10.0 111.042 179.329 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -86.65 -22.84 25.91 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.204 -179.566 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 65.07 14.21 9.21 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.517 0.675 . . . . 10.0 111.979 -179.307 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -82.92 124.03 29.97 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.374 -0.83 . . . . 10.0 110.861 -179.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 85.01 -13.27 55.14 Favored Glycine 0 C--N 1.33 0.211 0 CA-C-N 116.116 -0.493 . . . . 10.0 113.427 178.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 46.7 t -60.56 -33.91 56.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.042 0.449 . . . . 10.0 110.806 -179.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -66.48 -53.11 38.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.981 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -65.44 -25.83 67.69 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 112.552 0.575 . . . . 10.0 112.552 -178.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 155' ' ' ALA . . . . . 0.478 ' HA ' HD12 ' C' ' 142' ' ' ILE . . . -60.86 -44.72 96.63 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.23 0.538 . . . . 10.0 109.566 178.726 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -75.69 -32.71 60.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.552 179.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 21.7 m-30 -68.4 -43.31 77.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.321 -0.4 . . . . 10.0 110.802 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 92.8 m -65.29 -30.79 71.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 10.0 111.382 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 159' ' ' LEU . . . . . 0.612 HD22 ' HB2' ' C' ' 79' ' ' LEU . 34.5 tp -62.91 -40.28 97.1 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.485 -0.561 . . . . 10.0 109.485 178.659 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 39.6 t -69.33 -36.51 72.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.639 -0.709 . . . . 10.0 109.137 178.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 -60.65 -42.28 96.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.156 -0.929 . . . . 10.0 111.041 179.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -64.05 -38.76 92.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.539 -0.3 . . . . 10.0 110.594 179.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 73.6 mt -63.27 -49.02 84.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 CA-C-N 116.253 -0.43 . . . . 10.0 109.904 179.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 164' ' ' ARG . . . . . 0.687 HH12 ' HB2' ' C' ' 47' ' ' ASP . 18.8 ttm180 -63.69 -31.76 73.04 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.302 179.681 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 25.6 ttmt -66.06 -52.17 51.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.958 -0.565 . . . . 10.0 109.916 178.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 -58.82 -52.11 67.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.744 -0.662 . . . . 10.0 111.434 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -55.88 -40.78 73.47 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.3 0.481 . . . . 10.0 112.3 -179.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -72.61 -47.36 48.47 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.873 0.368 . . . . 10.0 111.185 -179.61 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 169' ' ' LYS . . . . . 0.449 ' HB3' ' HE2' ' C' ' 169' ' ' LYS . 12.7 mtpt -63.44 -29.47 70.75 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.492 0.552 . . . . 10.0 112.492 -178.68 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 73.3 mmm -71.47 -23.08 61.76 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.764 0.316 . . . . 10.0 111.583 179.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 4.4 m -68.98 -13.28 62.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.966 0.413 . . . . 10.0 111.521 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.31 20.75 7.39 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.073 179.243 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 173' ' ' ASP . . . . . . . . . . . . . 14.9 t70 68.97 -72.14 0.11 Allowed 'General case' 0 N--CA 1.467 0.403 0 O-C-N 123.88 0.738 . . . . 10.0 110.647 -178.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . -140.08 -78.76 0.06 OUTLIER Glycine 0 N--CA 1.442 -0.96 0 N-CA-C 109.57 -1.412 . . . . 10.0 109.57 179.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 175' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -107.16 -83.59 0.53 Allowed 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.85 -0.426 . . . . 10.0 109.85 178.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 176' ' ' LYS . . . . . 0.516 ' HZ3' ' C3 ' ' C' ' 214' ' ' 17F . 97.4 mttt 51.19 34.52 11.43 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.409 0.522 . . . . 10.0 112.409 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 177' ' ' LYS . . . . . . . . . . . . . 29.7 ttmt -113.4 -109.52 0.36 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.373 -0.376 . . . . 10.0 110.448 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 178' ' ' LYS . . . . . 0.468 ' HG3' ' OG ' ' C' ' 181' ' ' SER . 25.6 tptp 49.46 59.29 4.6 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.356 0.598 . . . . 10.0 110.625 -179.685 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 179' ' ' LYS . . . . . 0.402 ' HB3' ' HE3' ' C' ' 179' ' ' LYS . 28.8 mtpp -66.01 -55.39 16.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.643 -0.708 . . . . 10.0 111.758 -178.624 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 180' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -72.72 92.4 1.55 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.972 -0.558 . . . . 10.0 111.004 -179.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 181' ' ' SER . . . . . 0.468 ' OG ' ' HG3' ' C' ' 178' ' ' LYS . 17.8 m -140.69 168.82 18.89 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.17 -0.468 . . . . 10.0 111.209 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 182' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -121.62 79.72 1.59 Allowed 'General case' 0 CA--C 1.533 0.295 0 CA-C-O 121.228 0.537 . . . . 10.0 110.143 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 183' ' ' THR . . . . . 0.46 ' O ' ' H2 ' ' C' ' 207' ' ' PCW . 0.1 OUTLIER -82.04 76.82 8.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.933 -0.576 . . . . 10.0 112.17 -178.906 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 184' ' ' LYS . . . . . 0.496 ' HG2' ' O31' ' C' ' 207' ' ' PCW . 52.5 mttm . . . . . 0 C--N 1.326 -0.416 0 N-CA-C 111.838 0.31 . . . . 10.0 111.838 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 401' ' ' PCW . . . . . 1.039 H482 H461 ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 402' ' ' PCW . . . . . 1.034 H411 H361 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 403' ' ' PCW . . . . . 1.208 ' C31' H362 ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 404' ' ' PCW . . . . . 1.093 H281 H472 ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 405' ' ' PCW . . . . . 1.076 H281 H221 ' A' ' 418' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 406' ' ' PCW . . . . . 1.034 H432 H12A ' B' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 407' ' ' PCW . . . . . 1.049 H212 ' C17' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 408' ' ' PCW . . . . . 1.119 H242 H231 ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 409' ' ' PCW . . . . . 1.23 ' C19' H142 ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 410' ' ' PCW . . . . . 1.009 H371 ' H63' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 411' ' ' PCW . . . . . 1.119 H231 H242 ' A' ' 408' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 412' ' ' PCW . . . . . 0.885 ' H11' ' O3P' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 413' ' ' PCW . . . . . 0.945 ' C26' H181 ' A' ' 408' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 414' ' ' PCW . . . . . 1.053 H272 H441 ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 415' ' ' 17F . . . . . 1.002 ' H57' ' C34' ' A' ' 414' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 416' ' ' 17F . . . . . 1.012 ' H64' H283 ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 417' ' ' PCW . . . . . 1.107 H141 H341 ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 418' ' ' PCW . . . . . 1.076 H221 H281 ' A' ' 405' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 419' ' ' PCW . . . . . 1.014 ' H40' ' C44' ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 420' ' ' PCW . . . . . 1.107 H341 H141 ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 421' ' ' PCW . . . . . 1.036 H381 H151 ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 422' ' ' 17F . . . . . 1.026 ' H4A' H141 ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 601' ' ' PCW . . . . . 1.016 H421 H461 ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 602' ' ' PCW . . . . . 1.111 H172 H212 ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 603' ' ' PCW . . . . . 1.081 ' H41' ' H2 ' ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 604' ' ' PCW . . . . . 0.936 ' H41' ' H31' ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 605' ' ' PCW . . . . . 1.064 ' O1P' ' H52' ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 606' ' ' PCW . . . . . 1.066 H161 H11A ' C' ' 218' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 607' ' ' PCW . . . . . 1.025 ' H31' H372 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 608' ' ' PCW . . . . . 1.124 H461 ' H61' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 609' ' ' PCW . . . . . 0.997 H483 H472 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 610' ' ' PCW . . . . . 0.956 H283 ' H68' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 611' ' ' PCW . . . . . 1.079 H462 H261 ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 612' ' ' PCW . . . . . 1.039 H461 H482 ' A' ' 401' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 613' ' ' PCW . . . . . 1.083 ' C17' H212 ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 614' ' ' PCW . . . . . 1.064 ' H52' ' O1P' ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 615' ' ' PCW . . . . . 0.961 H461 H421 ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 616' ' ' PCW . . . . . 1.087 H451 ' H54' ' C' ' 214' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 617' ' ' PCW . . . . . 1.021 H483 H221 ' B' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 618' ' ' PCW . . . . . 1.039 H412 ' C36' ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 619' ' ' PCW . . . . . 1.114 H322 H152 ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 620' ' ' PCW . . . . . 0.933 H441 H482 ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 621' ' ' PCW . . . . . 1.065 H372 H412 ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 622' ' ' PCW . . . . . 1.063 H171 ' H5 ' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 623' ' ' PCW . . . . . 1.106 H322 ' C36' ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 624' ' ' PCW . . . . . 1.016 H481 ' H55' ' B' ' 209' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 625' ' ' PCW . . . . . 1.023 H412 ' C41' ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 626' ' ' PCW . . . . . 1.025 H372 ' H31' ' D' ' 607' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 627' ' ' PCW . . . . . 1.114 H152 H322 ' D' ' 619' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 628' ' ' 17F . . . . . 1.124 ' H61' H461 ' D' ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 629' ' ' 17F . . . . . 0.954 ' H46' ' C19' ' D' ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 630' ' ' 17F . . . . . 0.976 ' H9 ' H122 ' A' ' 421' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 631' ' ' 17F . . . . . 1.063 ' H5 ' H171 ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 632' ' ' 17F . . . . . 1.002 ' C17' H121 ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 201' ' ' GSP . . . . . 1.017 H5'2 ' HD1' ' B' ' 32' ' ' TYR . . . . . . . . 0 O4'--C1' 1.438 2.04 2 O4'-C1'-N19 113.258 5.058 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 202' ' ' ' MG' . . . . . 0.603 'MG ' ' O3G' ' B' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 203' ' ' PCW . . . . . 0.998 H472 H251 ' C' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 204' ' ' PCW . . . . . 1.012 H283 ' H64' ' A' ' 416' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 205' ' ' PCW . . . . . 1.078 H482 ' H19' ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 206' ' ' PCW . . . . . 1.038 H152 H261 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 207' ' ' PCW . . . . . 1.023 ' H41' ' H31' ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 208' ' ' PCW . . . . . 1.079 H261 H462 ' D' ' 611' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 209' ' ' 17F . . . . . 1.016 ' H55' H481 ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 210' ' ' 17F . . . . . 1.145 ' C12' ' H41' ' B' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 211' ' ' 17F . . . . . 1.034 H12A H432 ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 201' ' ' GSP . . . . . 0.721 H5'2 ' CD1' ' C' ' 32' ' ' TYR . . . . . . . . 0 O4'--C1' 1.438 1.988 2 O4'-C1'-N19 113.304 5.104 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 202' ' ' ' MG' . . . . . 0.628 'MG ' ' O3G' ' C' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 203' ' ' PCW . . . . . 1.037 H132 H171 ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 204' ' ' PCW . . . . . 1.01 H472 H451 ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 205' ' ' PCW . . . . . 1.038 H261 H152 ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 206' ' ' PCW . . . . . 1.038 H232 H431 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 207' ' ' PCW . . . . . 0.992 ' H61' ' H12' ' A' ' 410' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 208' ' ' PCW . . . . . 1.04 H251 H221 ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 209' ' ' PCW . . . . . 1.082 ' O11' ' H51' ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 210' ' ' PCW . . . . . 1.044 ' O31' H352 ' C' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 211' ' ' PCW . . . . . 1.031 ' H51' ' H12' ' C' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 212' ' ' PCW . . . . . 1.002 H241 ' H20' ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 213' ' ' 17F . . . . . 0.986 ' H77' ' H49' ' C' ' 219' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 214' ' ' 17F . . . . . 1.087 ' H54' H451 ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 215' ' ' 17F . . . . . 0.805 ' C31' ' H2 ' ' C' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 216' ' ' PCW . . . . . 1.08 H172 H162 ' C' ' 217' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 217' ' ' PCW . . . . . 1.08 H162 H172 ' C' ' 216' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 218' ' ' 17F . . . . . 1.066 H11A H161 ' D' ' 606' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 219' ' ' 17F . . . . . 1.05 ' H34' H172 ' C' ' 217' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 77.3 mt . . . . . 0 C--O 1.233 0.202 0 CA-C-O 120.931 0.396 . . . . 10.0 110.796 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -61.71 -44.86 96.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.524 -0.762 . . . . 10.0 111.254 -179.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 78.9 mt -64.74 -44.84 88.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.189 -0.46 . . . . 10.0 111.163 -179.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 29.9 mt -65.74 -36.42 83.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.984 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -66.01 -51.19 60.53 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.867 -0.606 . . . . 10.0 111.08 -179.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 206' ' ' ASN . . . . . 0.411 ' O ' HG23 ' A' ' 210' ' ' VAL . 7.6 m120 -67.32 -34.32 77.1 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.438 -0.346 . . . . 10.0 111.353 179.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 54.0 t90 -60.77 -31.43 70.79 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.808 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -64.82 -41.12 96.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.26 -0.427 . . . . 10.0 109.857 179.299 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 1.3 m -67.18 -34.62 77.91 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.324 0.583 . . . . 10.0 109.996 179.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 210' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 206' ' ' ASN . 84.0 t -68.42 -45.18 82.63 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 N-CA-C 109.172 -0.677 . . . . 10.0 109.172 178.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 41.2 m -64.18 -42.23 96.79 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.684 -0.689 . . . . 10.0 111.758 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 2.0 p -62.47 -36.4 82.37 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.928 -0.397 . . . . 10.0 109.928 178.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 213' ' ' THR . . . . . 0.433 ' O ' ' HG ' ' A' ' 217' ' ' LEU . 47.1 m -65.88 -39.5 90.73 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.873 -0.788 . . . . 10.0 108.873 178.098 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 214' ' ' PHE . . . . . 0.512 ' HA ' HD12 ' A' ' 217' ' ' LEU . 6.1 m-85 -63.62 -38.56 91.6 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.539 178.735 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 215' ' ' SER . . . . . 0.424 ' O ' ' HG3' ' A' ' 219' ' ' GLU . 15.2 m -65.2 -45.54 84.36 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 109.426 -0.583 . . . . 10.0 109.426 178.383 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 39.0 mmtt -61.77 -33.87 74.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.733 -0.667 . . . . 10.0 110.094 179.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 217' ' ' LEU . . . . . 0.805 HD21 H252 ' A' ' 405' ' ' PCW . 66.5 mt -63.39 -43.42 97.62 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.713 -0.676 . . . . 10.0 110.038 179.089 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -66.41 -40.39 89.57 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.445 -0.343 . . . . 10.0 111.102 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 219' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' A' ' 215' ' ' SER . 81.3 mt-10 -65.16 -18.09 65.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.767 -0.651 . . . . 10.0 110.823 179.566 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -98.4 -40.58 8.22 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.122 -0.695 . . . . 10.0 109.122 178.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 33.9 mt -55.87 -37.27 68.57 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.727 -0.67 . . . . 10.0 111.528 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -54.04 -68.89 1.42 Allowed Glycine 0 C--N 1.335 0.477 0 N-CA-C 110.461 -1.056 . . . . 10.0 110.461 178.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -53.09 -39.2 80.7 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.79 2.327 . . . . 10.0 110.804 177.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 24.4 t -57.59 -51.68 66.95 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.247 0 CA-C-N 116.398 -0.364 . . . . 10.0 111.268 179.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 3.2 p -61.77 -29.91 70.45 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.562 -0.455 . . . . 10.0 111.498 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -70.42 -50.09 42.07 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.495 -0.557 . . . . 10.0 109.495 179.189 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -66.26 -38.33 87.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.121 179.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 228' ' ' PHE . . . . . 0.4 ' O ' ' HG ' ' A' ' 232' ' ' LEU . 9.6 t80 -65.33 -45.72 83.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.332 179.436 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -66.28 -33.04 74.83 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 116.301 -0.409 . . . . 10.0 110.436 179.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -62.33 -45.52 92.83 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.424 -0.584 . . . . 10.0 109.424 178.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -67.12 -43.31 82.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.708 -0.678 . . . . 10.0 109.666 178.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 232' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 228' ' ' PHE . 82.5 mt -59.91 -46.12 90.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.715 -0.675 . . . . 10.0 110.693 179.343 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -60.19 -36.02 76.69 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 115.852 -0.613 . . . . 10.0 111.113 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -72.59 -38.34 67.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.101 0.477 . . . . 10.0 109.834 178.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -68.75 -47.85 65.22 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.164 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 13.3 p -65.68 -33.45 75.92 Favored 'General case' 0 CA--C 1.521 -0.144 0 N-CA-C 109.641 -0.503 . . . . 10.0 109.641 179.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 237' ' ' GLU . . . . . 0.551 ' HA ' ' HD2' ' A' ' 240' ' ' ARG . 27.2 tt0 -59.22 -42.85 91.95 Favored 'General case' 0 CA--C 1.52 -0.19 0 N-CA-C 108.727 -0.842 . . . . 10.0 108.727 178.116 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 238' ' ' GLY . . . . . 0.444 ' O ' ' HG3' ' A' ' 242' ' ' GLU . . . -61.95 -44.83 97.27 Favored Glycine 0 N--CA 1.442 -0.965 0 N-CA-C 110.12 -1.192 . . . . 10.0 110.12 178.234 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 96.4 mt -61.38 -37.15 82.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.0 0.428 . . . . 10.0 110.711 179.019 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 240' ' ' ARG . . . . . 0.551 ' HD2' ' HA ' ' A' ' 237' ' ' GLU . 73.8 mtt180 -64.89 -41.86 95.27 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.962 -0.563 . . . . 10.0 109.714 178.667 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -72.7 -43.67 62.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.681 -0.69 . . . . 10.0 109.909 179.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 242' ' ' GLU . . . . . 0.444 ' HG3' ' O ' ' A' ' 238' ' ' GLY . 26.9 mt-10 -67.78 -17.02 64.39 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 116.046 -0.524 . . . . 10.0 110.79 179.185 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 243' ' ' MET . . . . . 0.676 ' HG3' HD12 ' A' ' 247' ' ' LEU . 36.9 ttm -64.76 -29.77 70.75 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.783 -0.821 . . . . 10.0 108.783 178.518 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 11.1 m -80.74 7.62 9.91 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.422 -0.808 . . . . 10.0 110.028 178.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 245' ' ' LYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 249' ' ' GLU . 90.4 mttt -125.1 -60.18 1.36 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.628 -0.715 . . . . 10.0 109.435 179.043 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 246' ' ' ASP . . . . . 0.533 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 0.2 OUTLIER -58.82 -64.06 1.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.768 -0.651 . . . . 10.0 110.741 179.808 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 247' ' ' LEU . . . . . 0.676 HD12 ' HG3' ' A' ' 243' ' ' MET . 34.0 mt -69.96 -27.77 65.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.08 -0.509 . . . . 10.0 112.198 -178.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -73.03 -54.32 8.87 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 120.645 -0.422 . . . . 10.0 111.067 179.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 249' ' ' GLU . . . . . 0.406 ' HB2' ' O ' ' A' ' 245' ' ' LYS . 4.2 mt-10 -65.9 -34.73 78.79 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.8 -0.182 . . . . 10.0 110.986 179.672 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 250' ' ' VAL . . . . . 0.827 HG21 H271 ' A' ' 412' ' ' PCW . 0.9 OUTLIER -64.59 -28.49 44.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 C-N-CA 120.905 -0.318 . . . . 10.0 111.531 179.894 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . 0.527 ' HA ' ' HB ' ' A' ' 254' ' ' VAL . 87.2 mttt -97.18 -29.67 13.45 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.873 0.368 . . . . 10.0 111.319 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -71.26 -37.68 71.91 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.792 -0.818 . . . . 10.0 108.792 178.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -88.48 -14.11 38.66 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.322 -0.854 . . . . 10.0 110.16 178.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 254' ' ' VAL . . . . . 0.628 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.3 OUTLIER -62.79 -31.65 53.04 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.148 0 C-N-CA 121.003 -0.279 . . . . 10.0 110.722 179.685 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 255' ' ' GLN . . . . . 0.465 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 55.8 mt-30 -60.9 -61.81 7.24 Favored Pre-proline 0 N--CA 1.45 -0.427 0 CA-C-N 116.255 -0.43 . . . . 10.0 111.112 179.642 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 256' ' ' PRO . . . . . 0.465 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 37.6 Cg_endo -67.34 -33.17 30.93 Favored 'Trans proline' 0 C--N 1.354 0.844 0 C-N-CA 121.439 1.426 . . . . 10.0 112.156 179.132 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 5.4 m-30 -64.01 -55.36 22.91 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 120.798 0.332 . . . . 10.0 110.86 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 258' ' ' LEU . . . . . 0.436 ' HG ' HG22 ' A' ' 254' ' ' VAL . 43.7 mt -66.2 -40.21 90.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.308 -0.406 . . . . 10.0 110.705 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -59.23 -40.73 86.82 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.476 179.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -63.91 -55.32 23.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.483 179.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -58.23 -43.93 87.99 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.838 -0.619 . . . . 10.0 110.799 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 262' ' ' GLN . . . . . 0.592 ' HG2' HE21 ' A' ' 266' ' ' GLN . 64.1 tt0 -64.42 -41.72 96.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.085 -0.507 . . . . 10.0 111.271 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 263' ' ' LYS . . . . . 0.461 ' HB2' ' HE3' ' A' ' 263' ' ' LYS . 10.7 ttmt -59.82 -47.42 85.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.17 0.51 . . . . 10.0 110.259 179.717 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 264' ' ' LYS . . . . . 0.451 ' O ' ' HG3' ' A' ' 268' ' ' GLU . 77.0 mttt -70.15 -38.46 75.48 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.614 -0.721 . . . . 10.0 110.684 179.681 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 2.1 m95 -60.2 -42.06 94.28 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.363 178.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 266' ' ' GLN . . . . . 0.592 HE21 ' HG2' ' A' ' 262' ' ' GLN . 69.3 mt-30 -59.41 -46.36 88.92 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.012 -0.54 . . . . 10.0 109.833 178.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 267' ' ' GLU . . . . . 0.418 ' O ' ' HG ' ' A' ' 271' ' ' LEU . 17.9 mt-10 -63.01 -43.3 99.16 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.056 179.047 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 268' ' ' GLU . . . . . 0.535 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 28.3 mt-10 -60.27 -44.51 95.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.774 -0.648 . . . . 10.0 110.408 178.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 95.5 mmm -67.12 -37.96 84.77 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.189 -0.459 . . . . 10.0 110.023 179.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -63.12 -49.85 72.79 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 116.036 -0.529 . . . . 10.0 109.641 179.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 271' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 267' ' ' GLU . 93.1 mt -61.72 -39.62 92.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.351 179.563 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 272' ' ' TYR . . . . . 0.546 ' O ' ' HB ' ' A' ' 276' ' ' VAL . 0.6 OUTLIER -62.02 -44.89 95.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.423 179.041 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 273' ' ' ARG . . . . . 0.458 ' O ' HG12 ' A' ' 276' ' ' VAL . 32.4 ttm180 -74.35 -33.34 63.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.204 -0.453 . . . . 10.0 111.24 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -65.61 -44.41 86.61 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.765 -0.457 . . . . 10.0 109.765 179.095 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 275' ' ' LYS . . . . . 0.7 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 8.2 mptt -78.3 -27.13 47.25 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.857 -0.61 . . . . 10.0 111.446 179.284 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 276' ' ' VAL . . . . . 0.546 ' HB ' ' O ' ' A' ' 272' ' ' TYR . 0.3 OUTLIER -59.89 -26.95 37.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 N-CA-C 111.836 0.31 . . . . 10.0 111.836 -179.8 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -64.84 -63.84 3.26 Favored Pre-proline 0 CA--C 1.533 0.298 0 C-N-CA 120.941 -0.304 . . . . 10.0 111.162 178.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -61.11 -35.97 83.76 Favored 'Trans proline' 0 C--N 1.356 0.936 0 C-N-CA 121.642 1.561 . . . . 10.0 111.257 178.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 279' ' ' LEU . . . . . 1.024 HD22 ' HE3' ' D' ' 495' ' ' LYS . 10.9 mt -61.92 -43.62 98.47 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.638 0.256 . . . . 10.0 110.55 179.509 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -66.24 -36.94 84.34 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.669 -0.493 . . . . 10.0 109.669 178.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -64.29 -43.35 95.02 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.866 -0.606 . . . . 10.0 109.705 178.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.66 -43.83 88.17 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.109 0.48 . . . . 10.0 109.946 178.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 17.1 mt -63.54 -39.49 94.55 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.464 179.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -70.02 -48.37 58.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.656 179.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -60.47 -41.94 95.21 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.179 0.514 . . . . 10.0 109.936 179.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -68.62 -49.1 45.95 Favored Glycine 0 N--CA 1.44 -1.049 0 CA-C-N 115.263 -0.88 . . . . 10.0 110.999 178.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -55.08 -48.45 73.52 Favored 'General case' 0 C--O 1.223 -0.292 0 O-C-N 123.515 0.186 . . . . 10.0 110.986 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 12.2 mtt85 -55.89 -50.67 70.02 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 123.381 0.426 . . . . 10.0 111.463 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -66.34 -43.46 86.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.769 0.319 . . . . 10.0 111.084 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 290' ' ' LYS . . . . . 0.437 ' O ' ' HG ' ' A' ' 294' ' ' LEU . 74.4 mttt -61.94 -42.88 99.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.296 -0.411 . . . . 10.0 110.358 179.492 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 291' ' ' LEU . . . . . 0.442 HD23 HD12 ' A' ' 294' ' ' LEU . 82.0 mt -66.75 -35.05 79.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 10.0 109.966 178.474 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 6.9 m170 -62.88 -47.09 84.83 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 108.696 -0.853 . . . . 10.0 108.696 178.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -60.55 -39.81 89.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.05 -0.977 . . . . 10.0 109.115 178.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 294' ' ' LEU . . . . . 0.442 HD12 HD23 ' A' ' 291' ' ' LEU . 64.6 mt -64.7 -44.98 88.52 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 115.696 -0.684 . . . . 10.0 110.782 179.026 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 295' ' ' GLN . . . . . 0.431 ' HA ' ' HB2' ' A' ' 298' ' ' LEU . 79.1 mt-30 -61.71 -40.42 94.99 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 120.834 0.35 . . . . 10.0 111.032 179.631 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -62.97 -13.59 36.86 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.064 -0.516 . . . . 10.0 111.03 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . 0.427 ' HA ' ' HD3' ' A' ' 297' ' ' LYS . 12.3 mmtp -119.18 11.24 12.29 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.114 178.49 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 298' ' ' LEU . . . . . 0.431 ' HB2' ' HA ' ' A' ' 295' ' ' GLN . 12.5 mt -116.6 -37.1 3.76 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.005 -0.543 . . . . 10.0 111.113 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 299' ' ' SER . . . . . 0.484 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 0.8 OUTLIER -73.82 -62.86 1.02 Allowed Pre-proline 0 CA--C 1.539 0.529 0 N-CA-C 111.816 0.302 . . . . 10.0 111.816 179.516 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 300' ' ' PRO . . . . . 0.484 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 34.4 Cg_endo -65.8 -45.08 6.88 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 121.788 1.659 . . . . 10.0 111.575 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 301' ' ' LEU . . . . . 0.586 ' HB3' ' HE2' ' D' ' 473' ' ' LYS . 34.5 mt -68.72 -26.28 65.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.047 179.139 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -70.22 -46.34 50.72 Favored Glycine 0 N--CA 1.446 -0.662 0 N-CA-C 110.157 -1.177 . . . . 10.0 110.157 178.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -66.57 -35.46 80.26 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 109.811 -0.44 . . . . 10.0 109.811 178.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -60.77 -47.44 86.3 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 108.314 -0.995 . . . . 10.0 108.314 177.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 6.3 tpt -62.45 -38.08 88.39 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 115.394 -0.821 . . . . 10.0 109.864 179.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -64.08 -44.19 93.12 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.99 -0.55 . . . . 10.0 111.539 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 307' ' ' ASP . . . . . 0.758 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 12.8 t70 -70.94 -36.71 72.72 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.187 0.517 . . . . 10.0 110.216 179.194 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 308' ' ' ARG . . . . . 0.545 ' HG3' HD11 ' D' ' 469' ' ' LEU . 19.5 mmt180 -67.03 -31.88 72.71 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 108.999 -0.741 . . . . 10.0 108.999 177.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 309' ' ' ALA . . . . . 0.441 ' HA ' ' HB2' ' A' ' 312' ' ' HIS . . . -68.48 -36.77 79.41 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 108.801 -0.814 . . . . 10.0 108.801 177.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 310' ' ' ARG . . . . . 0.758 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 92.2 mtt180 -57.72 -48.16 80.37 Favored 'General case' 0 C--O 1.222 -0.348 0 N-CA-C 108.704 -0.85 . . . . 10.0 108.704 178.044 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -69.35 -42.99 74.53 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.783 -0.644 . . . . 10.0 110.257 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 312' ' ' HIS . . . . . 0.441 ' HB2' ' HA ' ' A' ' 309' ' ' ALA . 0.1 OUTLIER -53.1 -52.98 56.87 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.38 179.184 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 74.7 t -73.06 -44.72 56.07 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.151 0 CA-C-N 115.683 -0.69 . . . . 10.0 111.988 -179.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -59.83 -46.46 89.17 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 121.12 -0.232 . . . . 10.0 111.247 -179.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -60.81 -37.3 81.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.098 0.475 . . . . 10.0 110.187 179.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 14.4 mt -69.43 -46.33 67.05 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.667 -0.697 . . . . 10.0 109.447 178.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 37.7 ttm105 -60.37 -40.71 91.8 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.445 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 56.1 m -59.68 -28.37 67.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.888 178.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 33.5 m80 -92.66 -40.28 10.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.507 179.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 95.1 mt -64.02 -31.91 73.27 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.075 -0.511 . . . . 10.0 111.758 -179.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -56.7 -60.26 9.88 Favored Pre-proline 0 CA--C 1.536 0.406 0 CA-C-N 116.669 -0.242 . . . . 10.0 111.415 179.458 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -67.48 -32.65 31.31 Favored 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 121.513 1.475 . . . . 10.0 110.839 177.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 323' ' ' TYR . . . . . 0.505 ' O ' ' HG ' ' A' ' 327' ' ' LEU . 11.7 m-30 -59.93 -47.76 84.49 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.706 -0.224 . . . . 10.0 111.085 179.36 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 11.0 p -65.59 -34.45 78.27 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.928 0.394 . . . . 10.0 110.721 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -68.92 -42.61 76.59 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 109.235 -0.654 . . . . 10.0 109.235 178.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -69.53 -28.91 66.42 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.289 -0.634 . . . . 10.0 109.289 178.458 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 323' ' ' TYR . 30.4 mt -66.45 -35.85 81.32 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.226 -0.657 . . . . 10.0 109.226 178.095 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -62.82 -37.9 88.58 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 108.752 -0.833 . . . . 10.0 108.752 178.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -67.77 -46.75 71.15 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.627 -0.715 . . . . 10.0 109.312 178.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 330' ' ' ARG . . . . . 0.498 ' NH2' ' HB3' ' D' ' 447' ' ' GLU . 46.4 mtt-85 -58.92 -49.6 77.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.317 -0.856 . . . . 10.0 110.281 179.268 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 90.8 mt -62.04 -38.49 88.94 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.646 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -64.05 -50.69 67.41 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.28 -0.418 . . . . 10.0 110.341 179.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -59.71 -40.01 86.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.682 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 52.8 mtt-85 -69.14 -46.14 68.35 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.378 179.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 335' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 335' ' ' LEU . 27.1 mt -63.84 -36.03 82.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.544 -0.298 . . . . 10.0 111.165 179.618 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -65.1 -40.72 94.98 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.159 0.504 . . . . 10.0 109.689 178.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 337' ' ' ALA . . . . . 0.401 ' O ' ' HB3' ' A' ' 341' ' ' ASN . . . -65.54 -45.74 82.26 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 108.795 -0.817 . . . . 10.0 108.795 178.466 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 338' ' ' LEU . . . . . 0.414 ' O ' ' HA3' ' A' ' 342' ' ' GLY . 97.1 mt -69.42 -10.67 58.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.726 -0.67 . . . . 10.0 111.146 179.38 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 69.8 tttt -92.27 -53.06 4.39 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -66.5 -53.78 31.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.962 -0.563 . . . . 10.0 109.833 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 341' ' ' ASN . . . . . 0.401 ' HB3' ' O ' ' A' ' 337' ' ' ALA . 24.4 t-20 -67.76 -38.39 83.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.771 -0.649 . . . . 10.0 109.682 178.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 342' ' ' GLY . . . . . 0.414 ' HA3' ' O ' ' A' ' 338' ' ' LEU . . . -60.75 -43.53 99.03 Favored Glycine 0 C--N 1.332 0.357 0 CA-C-N 115.778 -0.646 . . . . 10.0 112.01 179.407 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -66.05 -38.4 94.01 Favored Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 111.152 -0.779 . . . . 10.0 111.152 179.224 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -65.36 -40.59 93.75 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.564 -0.532 . . . . 10.0 109.564 178.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 29.2 mtm180 -63.74 -45.49 89.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.648 -0.705 . . . . 10.0 110.336 179.182 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 52.1 mt -60.88 -44.45 97.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.242 -0.436 . . . . 10.0 110.407 179.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.91 -43.4 91.07 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.166 0.508 . . . . 10.0 109.975 178.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -67.15 -46.77 73.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.691 179.094 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -61.02 -39.97 91.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.993 -0.549 . . . . 10.0 111.253 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 10.8 m170 -63.3 -42.14 99.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.973 0.416 . . . . 10.0 109.903 178.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -67.15 -47.56 70.65 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.837 -0.62 . . . . 10.0 110.218 179.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 13.4 mttm -58.79 -47.27 85.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.923 -0.58 . . . . 10.0 109.863 179.173 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.62 -44.2 93.54 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.742 179.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 86.4 m -61.48 -43.83 98.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.068 179.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -64.87 -41.65 95.49 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.22 178.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 36.4 m-70 -63.4 -31.9 73.19 Favored 'General case' 0 CA--C 1.518 -0.255 0 N-CA-C 109.506 -0.553 . . . . 10.0 109.506 178.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 59.0 mt -71.32 -36.32 71.54 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.615 -0.721 . . . . 10.0 110.174 178.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 34.4 m -66.11 -41.12 91.0 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.672 -0.492 . . . . 10.0 109.672 178.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 1.5 m -75.33 -23.09 57.21 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.513 0.673 . . . . 10.0 109.512 178.088 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 50.9 tp -69.33 -28.91 66.66 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 108.421 -0.955 . . . . 10.0 108.421 177.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 20.3 m -64.73 -31.29 72.45 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.573 -0.74 . . . . 10.0 109.239 178.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 362' ' ' GLU . . . . . 0.407 ' C ' ' HD2' ' A' ' 366' ' ' PRO . 7.0 mm-40 -67.44 -15.92 63.94 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 115.65 -0.704 . . . . 10.0 109.797 178.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 363' ' ' LYS . . . . . 0.571 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 82.7 mttt -101.03 -39.99 7.45 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.502 -0.772 . . . . 10.0 109.209 178.102 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -71.35 -30.38 66.11 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.651 -0.704 . . . . 10.0 112.892 -179.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 365' ' ' LYS . . . . . 0.936 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 71.6 mttt -101.96 -71.75 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.526 0 N-CA-C 112.543 0.571 . . . . 10.0 112.543 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 366' ' ' PRO . . . . . 0.936 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 34.6 Cg_exo -61.07 -58.34 0.47 Allowed 'Trans proline' 0 C--N 1.356 0.947 0 C-N-CA 122.391 2.06 . . . . 10.0 112.899 -179.465 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 367' ' ' ALA . . . . . 0.571 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -57.57 -53.91 52.83 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.551 0.574 . . . . 10.0 112.551 -179.217 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 368' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 363' ' ' LYS . 20.4 mt -58.42 -37.28 75.05 Favored 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 112.217 0.451 . . . . 10.0 112.217 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -68.46 -47.31 67.46 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 109.71 -0.478 . . . . 10.0 109.71 179.226 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -58.1 -39.52 78.81 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 109.534 -0.543 . . . . 10.0 109.534 179.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 371' ' ' LEU . . . . . 0.417 HD12 HD23 ' A' ' 368' ' ' LEU . 73.5 mt -64.5 -45.39 87.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.492 -0.776 . . . . 10.0 110.011 178.571 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 372' ' ' ARG . . . . . 0.473 ' O ' ' HG ' ' A' ' 376' ' ' LEU . 96.6 mtt180 -65.48 -40.74 93.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.874 0.369 . . . . 10.0 110.653 179.551 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -65.42 -42.47 92.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.005 178.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -68.59 -33.46 76.49 Favored Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.793 -0.639 . . . . 10.0 111.615 179.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 375' ' ' LEU . . . . . 0.475 HD11 ' H38' ' A' ' 416' ' ' 17F . 32.3 mt -71.62 -21.83 61.78 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.808 0.299 . . . . 10.0 111.808 179.265 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 376' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 372' ' ' ARG . 61.7 mt -55.77 -60.8 7.61 Favored Pre-proline 0 CA--C 1.536 0.418 0 N-CA-C 112.291 0.478 . . . . 10.0 112.291 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -65.32 -31.75 52.09 Favored 'Trans proline' 0 C--N 1.356 0.936 0 C-N-CA 121.751 1.634 . . . . 10.0 111.377 179.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 74.7 t -64.08 -53.94 37.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.295 179.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 95.3 mt -59.89 -41.28 91.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.386 -0.37 . . . . 10.0 110.634 179.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 -63.8 -45.48 89.47 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 116.276 -0.42 . . . . 10.0 110.916 179.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 78.7 p -67.35 -34.11 76.62 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-O 121.222 0.534 . . . . 10.0 110.231 178.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -64.81 -34.41 78.29 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.892 -0.594 . . . . 10.0 110.032 179.05 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -62.47 -46.57 87.9 Favored 'General case' 0 C--O 1.225 -0.185 0 N-CA-C 109.117 -0.697 . . . . 10.0 109.117 178.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 24.4 t -61.66 -42.38 94.0 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 CA-C-N 115.624 -0.716 . . . . 10.0 109.391 179.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 15.3 m -64.2 -47.31 80.22 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.743 -0.662 . . . . 10.0 110.573 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 386' ' ' PHE . . . . . 0.422 ' O ' ' HG ' ' A' ' 390' ' ' LEU . 2.5 m-85 -62.99 -47.06 84.77 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.115 179.69 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 46.6 mt -58.62 -52.46 65.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.043 -0.526 . . . . 10.0 111.732 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 388' ' ' SER . . . . . 0.632 ' HB2' ' HE2' ' D' ' 594' ' ' LYS . 11.2 p -61.3 -38.03 85.37 Favored 'General case' 0 C--N 1.33 -0.269 0 O-C-N 123.202 0.314 . . . . 10.0 110.951 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -66.34 -41.23 89.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.013 0.435 . . . . 10.0 110.661 179.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 390' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 386' ' ' PHE . 77.3 mt -62.83 -41.88 99.51 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.954 -0.566 . . . . 10.0 109.869 179.362 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 391' ' ' GLU . . . . . 0.435 ' O ' ' HB2' ' A' ' 395' ' ' LYS . 15.4 mt-10 -63.33 -33.76 76.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.589 -0.732 . . . . 10.0 110.717 179.432 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 392' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' A' ' 388' ' ' SER . 57.1 mm-40 -64.03 -37.82 88.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.011 0.434 . . . . 10.0 110.381 179.134 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -69.13 -43.15 74.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.862 -0.608 . . . . 10.0 109.897 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . 0.42 ' O ' ' HB3' ' A' ' 398' ' ' ASN . 1.0 OUTLIER -71.44 -13.71 61.92 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.993 0.425 . . . . 10.0 110.484 179.354 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 395' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 391' ' ' GLU . 8.7 ttmt -88.67 -54.01 4.36 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 112.683 0.623 . . . . 10.0 112.683 -179.002 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 2.7 mptt -97.22 -19.27 18.71 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 113.932 1.086 . . . . 10.0 113.932 -177.458 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 38.4 mt -105.44 26.29 9.65 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.094 0.473 . . . . 10.0 111.403 -179.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 398' ' ' ASN . . . . . 0.42 ' HB3' ' O ' ' A' ' 394' ' ' THR . 41.0 t30 . . . . . 0 C--N 1.325 -0.497 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.15 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--O 1.231 0.106 0 CA-C-O 121.097 0.475 . . . . 10.0 110.77 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -90.9 21.85 3.94 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.874 -179.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 28.6 mt -64.9 -51.5 61.61 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.598 -0.728 . . . . 10.0 110.975 -179.191 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 69.9 mt -62.26 -34.98 77.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.75 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -64.16 -46.29 84.71 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.856 -0.611 . . . . 10.0 110.489 179.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 404' ' ' ASN . . . . . 0.439 ' O ' HG23 ' D' ' 408' ' ' VAL . 13.2 t30 -70.45 -32.22 69.71 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.187 179.415 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 1.1 m95 -58.67 -37.36 75.84 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.868 -0.606 . . . . 10.0 110.43 179.266 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -65.02 -41.26 95.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.906 -0.588 . . . . 10.0 109.78 178.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.44 -34.49 76.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.414 0.626 . . . . 10.0 109.642 178.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 408' ' ' VAL . . . . . 0.439 HG23 ' O ' ' D' ' 404' ' ' ASN . 66.5 t -73.27 -35.7 47.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.697 -0.683 . . . . 10.0 109.307 178.411 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 32.8 m -68.31 -42.14 79.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.689 -0.687 . . . . 10.0 110.227 179.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 17.8 m -60.31 -44.87 95.04 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 116.444 -0.344 . . . . 10.0 110.492 179.285 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 411' ' ' THR . . . . . 0.497 ' O ' ' HG ' ' D' ' 415' ' ' LEU . 0.9 OUTLIER -66.18 -38.88 89.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 10.0 110.732 179.752 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -64.88 -41.97 95.2 Favored 'General case' 0 CA--C 1.52 -0.174 0 N-CA-C 109.891 -0.411 . . . . 10.0 109.891 178.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 19.7 m -62.65 -41.72 99.2 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.838 -0.619 . . . . 10.0 109.657 178.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 414' ' ' LYS . . . . . 0.491 ' HD3' ' HA ' ' D' ' 414' ' ' LYS . 50.6 mmtt -66.17 -30.22 70.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.15 178.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 415' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' D' ' 411' ' ' THR . 65.8 mt -67.91 -39.24 83.61 Favored 'General case' 0 CA--C 1.519 -0.245 0 N-CA-C 109.216 -0.661 . . . . 10.0 109.216 178.294 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 65.5 mtt180 -66.27 -36.05 81.98 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.408 -0.589 . . . . 10.0 109.408 178.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -67.23 -21.96 65.72 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.647 178.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -90.53 -55.55 3.54 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.046 -0.724 . . . . 10.0 109.046 178.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 78.6 mt -48.57 -45.22 37.53 Favored 'General case' 0 C--O 1.228 -0.073 0 CA-C-N 115.433 -0.803 . . . . 10.0 112.585 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -53.03 -76.93 0.16 Allowed Glycine 0 C--N 1.333 0.396 0 C-N-CA 121.307 -0.473 . . . . 10.0 112.903 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 421' ' ' PRO . . . . . 0.405 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 50.0 Cg_exo -55.97 -38.2 95.01 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.838 2.359 . . . . 10.0 112.515 179.464 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 16.4 t -60.33 -47.26 93.08 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.252 0 N-CA-C 111.715 0.265 . . . . 10.0 111.715 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 24.8 p -67.04 -30.49 70.58 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 120.819 -0.352 . . . . 10.0 110.483 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -63.41 -50.1 71.15 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.115 -0.493 . . . . 10.0 109.714 179.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 425' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 10.8 pt-20 -76.22 -28.51 57.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 10.0 110.904 179.151 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 426' ' ' PHE . . . . . 0.448 ' O ' ' HG ' ' D' ' 430' ' ' LEU . 52.2 t80 -64.44 -39.09 93.17 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 109.3 -0.629 . . . . 10.0 109.3 178.453 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 5.0 m95 -66.91 -36.77 83.01 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 109.516 -0.549 . . . . 10.0 109.516 178.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 428' ' ' ASP . . . . . 0.486 ' O ' ' HG3' ' D' ' 432' ' ' LYS . 32.5 t70 -67.99 -30.89 70.26 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 108.867 -0.79 . . . . 10.0 108.867 178.163 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.53 -41.62 65.66 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.584 -0.895 . . . . 10.0 108.584 177.256 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 430' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' D' ' 426' ' ' PHE . 92.8 mt -60.62 -40.09 90.6 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.538 -0.755 . . . . 10.0 109.7 178.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -62.23 -31.85 72.44 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.279 0.561 . . . . 10.0 110.151 178.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 432' ' ' LYS . . . . . 0.486 ' HG3' ' O ' ' D' ' 428' ' ' ASP . 53.6 mttp -71.94 -43.24 65.56 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.643 -0.873 . . . . 10.0 108.643 178.365 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -65.42 -45.79 82.52 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.289 -0.869 . . . . 10.0 111.454 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 5.1 p -60.78 -50.16 74.56 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-O 120.619 0.247 . . . . 10.0 110.556 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 435' ' ' GLU . . . . . 0.477 ' O ' ' HG3' ' D' ' 439' ' ' GLN . 8.0 mm-40 -63.84 -46.3 85.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.642 179.585 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -58.78 -47.99 87.5 Favored Glycine 0 N--CA 1.452 -0.266 0 N-CA-C 111.235 -0.746 . . . . 10.0 111.235 179.126 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 61.4 mt -64.17 -32.74 74.43 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 110.051 -0.351 . . . . 10.0 110.051 178.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 63.4 mtt180 -64.78 -33.83 76.91 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-N 116.537 -0.302 . . . . 10.0 110.626 178.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 439' ' ' GLN . . . . . 0.477 ' HG3' ' O ' ' D' ' 435' ' ' GLU . 81.8 mt-30 -67.03 -44.06 81.19 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.728 -0.842 . . . . 10.0 108.728 178.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 440' ' ' GLU . . . . . 0.532 ' O ' ' HB2' ' D' ' 444' ' ' ASP . 39.1 mt-10 -68.43 -41.3 80.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.605 -0.725 . . . . 10.0 110.031 179.168 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 88.4 mmm -67.61 -40.52 84.7 Favored 'General case' 0 C--O 1.225 -0.204 0 N-CA-C 113.095 0.776 . . . . 10.0 113.095 -179.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 2.5 p -60.51 -52.44 65.17 Favored 'General case' 0 CA--C 1.518 -0.271 0 C-N-CA 120.901 -0.32 . . . . 10.0 110.166 179.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -61.57 -36.76 81.54 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.523 -0.547 . . . . 10.0 109.523 179.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 444' ' ' ASP . . . . . 0.603 ' O ' ' HB ' ' D' ' 448' ' ' VAL . 2.1 t70 -66.13 -58.73 4.79 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.802 -0.635 . . . . 10.0 111.835 -179.264 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 92.0 mt -63.23 -46.0 88.99 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.804 0.668 . . . . 10.0 112.804 -178.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -61.74 -48.22 81.66 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.85 0.357 . . . . 10.0 110.953 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 447' ' ' GLU . . . . . 0.498 ' HB3' ' NH2' ' A' ' 330' ' ' ARG . 7.5 tt0 -73.42 -22.89 60.11 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.43 -0.35 . . . . 10.0 110.695 179.649 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 448' ' ' VAL . . . . . 0.603 ' HB ' ' O ' ' D' ' 444' ' ' ASP . 0.5 OUTLIER -64.56 -33.72 64.9 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.141 0 CA-C-N 116.46 -0.336 . . . . 10.0 110.714 179.711 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -64.37 -39.1 93.21 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.256 -1.016 . . . . 10.0 108.256 178.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -83.08 8.19 13.65 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.406 -0.815 . . . . 10.0 110.458 179.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 451' ' ' LYS . . . . . 0.489 ' O ' ' HB2' ' D' ' 455' ' ' TYR . 31.1 mmtm -114.27 -54.31 2.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.042 179.368 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 61.3 t -63.56 -38.69 82.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.914 -0.585 . . . . 10.0 111.69 -179.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -59.5 -60.5 10.39 Favored Pre-proline 0 C--N 1.329 -0.302 0 N-CA-C 112.306 0.484 . . . . 10.0 112.306 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -64.39 -32.54 60.46 Favored 'Trans proline' 0 C--N 1.357 1.0 0 C-N-CA 121.72 1.613 . . . . 10.0 111.774 178.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 455' ' ' TYR . . . . . 0.489 ' HB2' ' O ' ' D' ' 451' ' ' LYS . 18.1 t80 -63.0 -50.19 71.73 Favored 'General case' 0 C--N 1.333 -0.132 0 N-CA-C 109.802 -0.444 . . . . 10.0 109.802 179.191 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 456' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' D' ' 456' ' ' LEU . 24.8 mt -70.39 -27.97 64.72 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.763 179.599 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -66.26 -53.26 38.97 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.992 0.425 . . . . 10.0 109.998 178.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 458' ' ' ASP . . . . . 0.417 ' HA ' ' HD2' ' D' ' 461' ' ' LYS . 22.5 t70 -66.91 -35.75 80.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.877 -0.601 . . . . 10.0 109.578 178.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 459' ' ' PHE . . . . . 0.456 ' HB2' ' O ' ' D' ' 455' ' ' TYR . 0.5 OUTLIER -66.79 -37.54 84.77 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 116.08 -0.509 . . . . 10.0 109.656 178.354 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 460' ' ' GLN . . . . . 0.426 ' HA ' ' CE3' ' D' ' 463' ' ' TRP . 46.2 tt0 -63.37 -42.99 98.88 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.847 -0.797 . . . . 10.0 108.847 178.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 461' ' ' LYS . . . . . 0.417 ' HD2' ' HA ' ' D' ' 458' ' ' ASP . 68.2 mttt -62.41 -38.17 88.65 Favored 'General case' 0 CA--C 1.52 -0.201 0 N-CA-C 109.169 -0.678 . . . . 10.0 109.169 178.487 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 462' ' ' LYS . . . . . 0.902 ' HB3' H281 ' D' ' 602' ' ' PCW . 0.2 OUTLIER -67.08 -41.4 86.41 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.489 -0.778 . . . . 10.0 109.632 178.628 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 463' ' ' TRP . . . . . 0.721 ' CD1' ' H71' ' D' ' 629' ' ' 17F . 32.0 m0 -65.31 -37.71 87.96 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.331 -0.618 . . . . 10.0 109.331 178.257 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -64.11 -47.61 79.34 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 108.599 -0.889 . . . . 10.0 108.599 178.193 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 465' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -55.39 -49.26 72.81 Favored 'General case' 0 C--O 1.224 -0.245 0 N-CA-C 109.615 -0.513 . . . . 10.0 109.615 178.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -60.44 -50.32 74.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.462 -0.79 . . . . 10.0 111.07 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 42.9 ttm -60.45 -50.02 75.25 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.88 0.371 . . . . 10.0 111.3 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -63.86 -35.08 79.45 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.178 -0.465 . . . . 10.0 110.597 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 469' ' ' LEU . . . . . 0.545 HD11 ' HG3' ' A' ' 308' ' ' ARG . 16.5 mt -67.73 -36.63 80.94 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 109.711 -0.478 . . . . 10.0 109.711 178.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -66.21 -24.66 66.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.954 0.407 . . . . 10.0 110.47 179.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 471' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -82.09 -8.53 59.66 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.049 0.452 . . . . 10.0 110.077 178.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -114.98 -2.41 12.84 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.604 -0.726 . . . . 10.0 109.423 178.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 473' ' ' LYS . . . . . 0.586 ' HE2' ' HB3' ' A' ' 301' ' ' LEU . 19.4 mttt -126.04 -64.65 1.03 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.703 -0.68 . . . . 10.0 110.781 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 82.1 t -62.48 -39.21 83.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.515 -0.312 . . . . 10.0 110.979 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 475' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -56.45 -60.68 8.43 Favored Pre-proline 0 CA--C 1.536 0.434 0 CA-C-N 116.705 -0.225 . . . . 10.0 111.183 178.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -63.4 -34.6 65.47 Favored 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 121.432 1.421 . . . . 10.0 110.855 178.131 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 477' ' ' LEU . . . . . 0.438 HD23 ' HA ' ' D' ' 477' ' ' LEU . 16.6 mt -64.1 -33.77 76.51 Favored 'General case' 0 C--O 1.223 -0.317 0 C-N-CA 121.054 -0.258 . . . . 10.0 110.808 179.186 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 60.2 mtt-85 -66.1 -34.74 78.75 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.046 -0.724 . . . . 10.0 109.046 178.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -73.0 -41.72 63.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.524 -0.762 . . . . 10.0 109.027 178.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.82 -42.43 94.99 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.053 -0.521 . . . . 10.0 109.763 178.592 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 23.8 mt -65.72 -41.85 91.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.828 -0.624 . . . . 10.0 109.564 178.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -63.8 -44.89 91.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.374 -0.375 . . . . 10.0 110.018 179.056 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -63.11 -42.51 99.58 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.5 -0.556 . . . . 10.0 109.5 179.293 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -65.37 -42.59 95.93 Favored Glycine 0 N--CA 1.449 -0.493 0 N-CA-C 110.843 -0.903 . . . . 10.0 110.843 178.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -64.0 -37.85 88.92 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 109.934 -0.395 . . . . 10.0 109.934 178.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 89.2 mtt180 -60.95 -48.29 82.49 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 109.539 -0.541 . . . . 10.0 109.539 178.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 487' ' ' GLN . . . . . 0.42 ' HA ' ' OE1' ' D' ' 487' ' ' GLN . 15.7 mm-40 -64.21 -42.75 96.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.624 179.505 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 69.8 tttt -65.22 -37.05 86.07 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.975 -0.38 . . . . 10.0 109.975 179.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 489' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' D' ' 489' ' ' LEU . 18.6 mt -65.85 -40.33 91.6 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.137 -0.69 . . . . 10.0 109.137 178.174 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -64.11 -41.67 97.16 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.252 -1.018 . . . . 10.0 108.252 178.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -60.35 -46.76 88.78 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.879 -0.785 . . . . 10.0 108.879 177.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 93.8 mt -64.42 -40.32 95.55 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-N 115.661 -0.699 . . . . 10.0 111.046 179.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -62.09 -36.39 81.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.382 0.61 . . . . 10.0 110.567 179.197 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -87.96 11.24 16.38 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.955 -0.566 . . . . 10.0 111.012 179.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 495' ' ' LYS . . . . . 1.024 ' HE3' HD22 ' A' ' 279' ' ' LEU . 53.7 mttp -124.11 -55.91 1.66 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.231 -0.441 . . . . 10.0 110.465 179.281 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 496' ' ' LEU . . . . . 0.522 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 80.9 mt -62.87 -19.54 64.25 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.489 0.552 . . . . 10.0 112.489 -179.231 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 497' ' ' SER . . . . . 0.518 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 3.4 m -85.97 -65.55 0.2 Allowed Pre-proline 0 C--N 1.324 -0.531 0 C-N-CA 120.789 -0.364 . . . . 10.0 111.303 178.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 498' ' ' PRO . . . . . 0.518 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 29.4 Cg_endo -63.67 -48.35 5.74 Favored 'Trans proline' 0 C--N 1.356 0.974 0 C-N-CA 121.606 1.537 . . . . 10.0 111.952 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 499' ' ' LEU . . . . . 0.66 HD21 ' HG2' ' A' ' 275' ' ' LYS . 77.0 mt -73.32 -32.3 64.5 Favored 'General case' 0 CA--C 1.522 -0.107 0 CA-C-O 120.772 0.32 . . . . 10.0 110.19 179.764 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 500' ' ' GLY . . . . . 0.522 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -65.62 -49.53 59.48 Favored Glycine 0 N--CA 1.449 -0.486 0 N-CA-C 110.634 -0.986 . . . . 10.0 110.634 179.192 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -63.86 -34.61 78.33 Favored 'General case' 0 CA--C 1.519 -0.235 0 N-CA-C 109.2 -0.667 . . . . 10.0 109.2 178.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 502' ' ' GLU . . . . . 0.498 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 28.6 tt0 -64.2 -43.19 95.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.521 -0.763 . . . . 10.0 109.163 178.538 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 503' ' ' MET . . . . . 0.828 ' HA ' ' HD2' ' D' ' 506' ' ' ARG . 86.0 mmm -61.93 -42.07 98.68 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 109.633 -0.506 . . . . 10.0 109.633 179.053 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 504' ' ' ARG . . . . . 0.482 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 87.3 mtt180 -64.23 -38.77 92.24 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.514 -0.767 . . . . 10.0 109.382 178.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 505' ' ' ASP . . . . . 0.699 ' HA ' ' HD2' ' D' ' 508' ' ' ARG . 13.6 t70 -68.05 -36.25 79.57 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.016 0.436 . . . . 10.0 110.378 179.201 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 506' ' ' ARG . . . . . 0.828 ' HD2' ' HA ' ' D' ' 503' ' ' MET . 37.9 mtt180 -63.55 -43.82 95.97 Favored 'General case' 0 CA--C 1.52 -0.203 0 N-CA-C 107.477 -1.305 . . . . 10.0 107.477 177.387 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -63.06 -35.24 79.6 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 114.933 -1.03 . . . . 10.0 110.003 178.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 508' ' ' ARG . . . . . 0.699 ' HD2' ' HA ' ' D' ' 505' ' ' ASP . 72.8 mtt180 -61.8 -33.56 74.34 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.828 -0.434 . . . . 10.0 109.828 178.626 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 509' ' ' ALA . . . . . 0.446 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -79.73 -35.38 38.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.436 179.402 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 510' ' ' HIS . . . . . 0.468 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 52.0 m-70 -73.25 -49.41 27.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.223 -0.444 . . . . 10.0 111.263 179.602 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 511' ' ' VAL . . . . . 0.408 ' O ' ' HG3' ' D' ' 515' ' ' ARG . 96.2 t -63.1 -40.45 89.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.413 -0.358 . . . . 10.0 110.036 179.628 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 512' ' ' ASP . . . . . 0.457 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 31.1 t70 -65.1 -34.09 77.57 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 121.037 0.446 . . . . 10.0 109.845 178.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -65.87 -42.58 90.17 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 108.669 -0.863 . . . . 10.0 108.669 178.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 514' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' D' ' 510' ' ' HIS . 89.3 mt -57.83 -32.76 67.92 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.077 -0.511 . . . . 10.0 110.476 179.095 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 515' ' ' ARG . . . . . 0.457 ' HD2' ' HA ' ' D' ' 512' ' ' ASP . 68.0 mtt180 -67.66 -20.62 65.33 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.22 179.243 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -112.1 -1.7 15.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.362 0.601 . . . . 10.0 110.078 179.429 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 517' ' ' HIS . . . . . 0.457 ' O ' ' HB2' ' D' ' 521' ' ' TYR . 25.5 m170 -110.81 -72.27 0.73 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.037 -0.529 . . . . 10.0 111.491 -179.405 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 61.4 mt -70.95 -42.32 69.96 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.969 0.729 . . . . 10.0 112.969 -178.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 519' ' ' ALA . . . . . 0.66 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -56.66 -57.1 25.88 Favored Pre-proline 0 C--O 1.238 0.462 0 N-CA-C 112.449 0.537 . . . . 10.0 112.449 -179.771 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 520' ' ' PRO . . . . . 0.66 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 27.4 Cg_exo -65.8 -31.09 49.05 Favored 'Trans proline' 0 C--N 1.355 0.871 0 C-N-CA 121.953 1.769 . . . . 10.0 111.418 179.084 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 521' ' ' TYR . . . . . 0.478 ' HA ' ' OE1' ' D' ' 524' ' ' GLU . 18.1 t80 -68.48 -35.46 77.57 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 116.227 -0.442 . . . . 10.0 109.94 179.513 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 522' ' ' SER . . . . . 0.486 ' O ' ' HG3' ' D' ' 526' ' ' ARG . 71.0 m -63.89 -34.12 77.23 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 109.722 -0.473 . . . . 10.0 109.722 178.495 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 523' ' ' ASP . . . . . 0.612 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 10.1 t70 -68.48 -38.74 81.29 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 115.954 -0.566 . . . . 10.0 109.582 178.504 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 524' ' ' GLU . . . . . 0.478 ' OE1' ' HA ' ' D' ' 521' ' ' TYR . 9.8 mt-10 -68.54 -34.28 75.58 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.833 -0.803 . . . . 10.0 108.833 178.018 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 525' ' ' LEU . . . . . 0.568 HD23 ' HD2' ' D' ' 528' ' ' ARG . 25.3 mt -69.0 -34.01 74.58 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 115.442 -0.799 . . . . 10.0 109.837 177.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 526' ' ' ARG . . . . . 0.612 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 85.0 mtt180 -59.94 -38.01 81.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.081 0.467 . . . . 10.0 109.843 178.629 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -69.77 -37.74 76.49 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.257 -0.646 . . . . 10.0 109.257 178.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 528' ' ' ARG . . . . . 0.568 ' HD2' HD23 ' D' ' 525' ' ' LEU . 74.5 mtt180 -68.65 -42.04 78.5 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.616 -0.72 . . . . 10.0 109.465 178.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 529' ' ' LEU . . . . . 0.438 ' O ' ' HG ' ' D' ' 533' ' ' LEU . 81.6 mt -66.62 -32.61 74.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.89 -0.596 . . . . 10.0 109.975 178.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -64.11 -43.7 94.5 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.536 -0.542 . . . . 10.0 109.536 178.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -69.57 -38.07 77.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.501 -0.772 . . . . 10.0 109.168 178.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 532' ' ' ARG . . . . . 0.493 ' O ' ' HG ' ' D' ' 536' ' ' LEU . 4.2 ttm180 -61.45 -52.7 63.47 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.057 -0.974 . . . . 10.0 109.828 178.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 533' ' ' LEU . . . . . 0.454 HD23 HD12 ' D' ' 536' ' ' LEU . 97.4 mt -64.06 -32.13 73.58 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 115.793 -0.639 . . . . 10.0 110.283 179.596 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -62.03 -47.69 83.63 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 108.981 -0.748 . . . . 10.0 108.981 178.277 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -63.98 -43.31 96.13 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.469 -0.787 . . . . 10.0 109.324 178.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 536' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' D' ' 532' ' ' ARG . 89.7 mt -63.15 -28.13 69.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.853 179.262 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -79.87 -46.5 16.71 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 110.252 -0.277 . . . . 10.0 110.252 178.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.36 -50.99 67.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.051 179.357 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -70.36 -32.48 70.19 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 109.198 -0.668 . . . . 10.0 109.198 178.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 540' ' ' GLY . . . . . 0.427 ' O ' ' HG ' ' D' ' 544' ' ' LEU . . . -64.7 -44.73 94.48 Favored Glycine 0 CA--C 1.51 -0.275 0 N-CA-C 110.85 -0.9 . . . . 10.0 110.85 179.219 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -62.53 -37.06 94.08 Favored Glycine 0 N--CA 1.448 -0.557 0 N-CA-C 110.608 -0.997 . . . . 10.0 110.608 178.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -67.13 -48.36 68.33 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 108.555 -0.906 . . . . 10.0 108.555 178.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 543' ' ' ARG . . . . . 0.446 HH11 ' HD2' ' D' ' 543' ' ' ARG . 30.5 mtt180 -56.4 -45.97 80.36 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.704 -0.68 . . . . 10.0 110.512 179.204 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 544' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' D' ' 540' ' ' GLY . 48.2 mt -58.56 -40.99 84.64 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.592 0.234 . . . . 10.0 110.846 179.709 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -68.49 -44.92 73.69 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.057 -0.519 . . . . 10.0 110.369 179.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -64.25 -52.65 57.68 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.859 179.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 547' ' ' TYR . . . . . 0.407 ' HD1' ' O ' ' D' ' 543' ' ' ARG . 29.1 m-85 -59.34 -35.87 74.65 Favored 'General case' 0 C--O 1.225 -0.208 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.9 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 548' ' ' HIS . . . . . 0.419 ' HB2' ' O ' ' D' ' 544' ' ' LEU . 9.7 t-160 -66.77 -45.71 77.6 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.768 -0.456 . . . . 10.0 109.768 178.679 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -64.02 -45.91 86.82 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 109.581 -0.526 . . . . 10.0 109.581 178.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 550' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.93 -36.95 85.12 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-N 115.533 -0.758 . . . . 10.0 110.542 179.387 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -66.29 -38.17 87.12 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 110.082 -0.34 . . . . 10.0 110.082 179.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 6.2 m -70.63 -43.2 69.73 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.124 -0.695 . . . . 10.0 109.124 178.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -62.37 -45.82 91.42 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 109.463 -0.569 . . . . 10.0 109.463 178.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -62.01 -41.39 98.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.513 -0.767 . . . . 10.0 110.246 179.268 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 20.9 tp -63.91 -33.49 75.83 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 109.611 -0.514 . . . . 10.0 109.611 178.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 24.3 m -69.69 -42.75 73.68 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.74 -0.664 . . . . 10.0 110.294 179.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.1 -34.44 71.12 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.03 0.443 . . . . 10.0 109.845 178.627 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 32.4 mt -63.14 -46.12 88.71 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.029 178.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 559' ' ' SER . . . . . 0.435 ' HA ' ' HB3' ' D' ' 562' ' ' ALA . 2.8 p -71.54 -30.66 66.15 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.091 0.472 . . . . 10.0 110.283 178.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -64.26 -31.95 73.35 Favored 'General case' 0 C--O 1.224 -0.242 0 N-CA-C 109.127 -0.694 . . . . 10.0 109.127 178.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 561' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -103.5 4.36 35.85 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.59 -0.732 . . . . 10.0 110.354 179.15 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 562' ' ' ALA . . . . . 0.435 ' HB3' ' HA ' ' D' ' 559' ' ' SER . . . -90.21 -55.11 3.73 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.476 -0.329 . . . . 10.0 110.587 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 563' ' ' LYS . . . . . 0.441 ' N ' ' HD2' ' D' ' 564' ' ' PRO . 90.5 mttt -52.46 -55.29 33.46 Favored Pre-proline 0 CA--C 1.532 0.272 0 CA-C-N 116.247 -0.433 . . . . 10.0 112.112 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 564' ' ' PRO . . . . . 0.441 ' HD2' ' N ' ' D' ' 563' ' ' LYS . 28.2 Cg_endo -62.73 -40.94 33.55 Favored 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 121.835 1.69 . . . . 10.0 112.22 179.641 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -66.44 -48.2 70.75 Favored 'General case' 0 C--O 1.224 -0.245 0 N-CA-C 112.055 0.391 . . . . 10.0 112.055 -179.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 91.3 mt -60.08 -46.27 90.12 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 120.621 0.248 . . . . 10.0 110.844 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -67.66 -41.15 84.23 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.424 -0.353 . . . . 10.0 110.855 179.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -63.62 -44.55 93.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.442 -0.345 . . . . 10.0 110.216 179.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 40.1 mt -62.84 -40.67 98.15 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-N 116.136 -0.483 . . . . 10.0 110.196 178.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 66.3 mtt180 -65.68 -47.85 74.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.91 0.386 . . . . 10.0 110.456 179.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -71.46 -12.29 61.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.033 -0.53 . . . . 10.0 111.38 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -100.14 -31.75 5.81 Favored Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 111.317 -0.713 . . . . 10.0 111.317 179.143 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 573' ' ' LEU . . . . . 0.578 ' HA ' HG12 ' D' ' 576' ' ' VAL . 20.2 mt -74.5 -36.79 63.25 Favored 'General case' 0 C--O 1.22 -0.468 0 N-CA-C 111.38 0.141 . . . . 10.0 111.38 179.674 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 574' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' D' ' 574' ' ' LEU . 34.6 mt -55.54 -60.5 8.3 Favored Pre-proline 0 CA--C 1.536 0.419 0 N-CA-C 112.302 0.482 . . . . 10.0 112.302 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -63.4 -37.27 50.35 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 122.001 1.8 . . . . 10.0 112.081 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 576' ' ' VAL . . . . . 0.578 HG12 ' HA ' ' D' ' 573' ' ' LEU . 0.9 OUTLIER -69.53 -34.32 61.22 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 C-N-CA 120.812 -0.355 . . . . 10.0 111.121 -179.784 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 577' ' ' LEU . . . . . 0.479 ' O ' ' HG3' ' D' ' 581' ' ' LYS . 11.4 mt -64.55 -44.29 91.26 Favored 'General case' 0 CA--C 1.511 -0.539 0 N-CA-C 109.365 -0.606 . . . . 10.0 109.365 178.258 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 578' ' ' GLU . . . . . 0.416 ' O ' HG23 ' D' ' 582' ' ' VAL . 70.7 mm-40 -60.64 -40.26 91.32 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.829 -0.623 . . . . 10.0 109.459 178.458 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 13.6 m -62.81 -44.55 95.85 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 109.16 -0.682 . . . . 10.0 109.16 178.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 580' ' ' PHE . . . . . 0.468 ' O ' ' HB2' ' D' ' 584' ' ' PHE . 15.8 m-85 -64.67 -36.96 85.96 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.758 -0.655 . . . . 10.0 110.739 179.258 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 581' ' ' LYS . . . . . 0.479 ' HG3' ' O ' ' D' ' 577' ' ' LEU . 93.4 mttt -62.09 -50.48 71.78 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 116.448 -0.342 . . . . 10.0 110.122 179.205 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 582' ' ' VAL . . . . . 0.416 HG23 ' O ' ' D' ' 578' ' ' GLU . 81.4 t -57.73 -49.77 79.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.706 179.401 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 20.2 m -61.62 -37.74 85.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.278 -0.419 . . . . 10.0 111.073 179.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 584' ' ' PHE . . . . . 0.468 ' HB2' ' O ' ' D' ' 580' ' ' PHE . 0.2 OUTLIER -68.34 -48.6 64.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.436 -0.347 . . . . 10.0 111.211 -179.918 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 84.6 mt -59.85 -47.93 83.73 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.333 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 10.0 p -65.52 -35.25 80.32 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.934 0.397 . . . . 10.0 110.571 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 587' ' ' ALA . . . . . . . . . . . . . . . -67.58 -55.4 13.55 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.207 178.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 588' ' ' LEU . . . . . . . . . . . . . 93.8 mt -56.74 -43.77 81.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.906 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -56.02 -50.32 71.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.855 179.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -71.1 -37.28 72.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.325 -0.398 . . . . 10.0 111.602 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -60.85 -41.14 95.27 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.878 0.371 . . . . 10.0 110.102 179.143 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 16.7 m -64.08 -38.8 92.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.538 179.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -71.45 -39.18 71.17 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.919 0.39 . . . . 10.0 110.625 179.217 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 594' ' ' LYS . . . . . 0.632 ' HE2' ' HB2' ' A' ' 388' ' ' SER . 7.7 mptt -70.39 -29.78 66.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 10.0 112.291 -179.425 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 71.5 mt -102.39 11.39 38.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.007 0.432 . . . . 10.0 111.965 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 . . . . . 0 C--N 1.323 -0.576 0 CA-C-N 116.33 -0.395 . . . . 10.0 111.703 -179.704 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 N--CA 1.456 -0.166 0 CA-C-O 120.897 0.379 . . . . 10.0 110.646 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 22.0 m -143.63 136.6 27.59 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.321 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.476 ' HA ' ' HB3' ' B' ' 52' ' ' LEU . 26.5 tt0 -91.2 140.26 29.97 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.924 -0.399 . . . . 10.0 109.924 179.398 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -127.51 114.19 17.13 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 120.807 0.337 . . . . 10.0 110.433 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 47.4 mttm -83.23 107.74 15.98 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.551 -179.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.474 HD11 HD22 ' B' ' 53' ' ' LEU . 0.7 OUTLIER -111.87 138.51 48.39 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.744 -0.662 . . . . 10.0 111.437 -178.054 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 45.4 t -124.64 123.1 65.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.018 179.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 67.7 t -95.11 111.11 25.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.411 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 15.8 m -107.69 164.36 5.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.32 -0.4 . . . . 10.0 111.155 -179.224 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 152.76 -175.41 31.33 Favored Glycine 0 N--CA 1.443 -0.894 0 N-CA-C 111.35 -0.7 . . . . 10.0 111.35 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . 0.497 ' HB3' ' HB3' ' B' ' 89' ' ' SER . . . -84.12 -168.07 2.01 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.788 0.327 . . . . 10.0 111.342 -179.495 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -94.28 136.43 34.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.197 0.523 . . . . 10.0 111.374 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . 0.891 ' HA2' H5'1 ' B' ' 201' ' ' GSP . . . 78.34 14.88 81.72 Favored Glycine 0 N--CA 1.451 -0.319 0 CA-C-N 115.581 -0.736 . . . . 10.0 113.163 179.356 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 27.6 m -81.89 -23.5 9.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.086 0.47 . . . . 10.0 111.222 -179.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . 0.429 ' HA2' ' H8 ' ' B' ' 201' ' ' GSP . . . 106.51 18.86 10.4 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.583 -0.818 . . . . 10.0 112.289 179.589 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.608 ' HG2' ' O2B' ' B' ' 201' ' ' GSP . 9.9 ptmm? -63.42 -22.65 67.01 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 121.391 0.615 . . . . 10.0 110.927 179.699 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . 0.44 ' N ' ' O2B' ' B' ' 201' ' ' GSP . 0.5 OUTLIER -89.22 -46.46 8.77 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 109.295 -0.631 . . . . 10.0 109.295 178.473 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.82 -49.52 73.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.617 -0.719 . . . . 10.0 111.805 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.517 HD23 ' HB2' ' B' ' 146' ' ' ALA . 68.7 mt -58.72 -48.34 81.49 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.384 -0.371 . . . . 10.0 111.456 -179.748 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 13.3 m -62.97 -44.66 95.43 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 116.067 -0.515 . . . . 10.0 111.166 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 93.6 mt -63.73 -33.61 62.83 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 CA-C-N 116.43 -0.35 . . . . 10.0 111.75 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . 0.563 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 6.1 mm-40 -66.35 -23.35 66.33 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.849 0.356 . . . . 10.0 111.686 179.738 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 6.2 tp -92.78 -34.52 13.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.144 0.497 . . . . 10.0 110.784 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 47.6 mm -78.79 -60.79 2.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 112.519 0.563 . . . . 10.0 112.519 -178.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -101.31 -0.42 35.66 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.782 0.66 . . . . 10.0 112.782 -177.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . 0.563 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 90.1 m-20 58.28 36.8 25.9 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 113.597 0.962 . . . . 10.0 113.597 178.308 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -139.31 155.1 47.95 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.745 0.307 . . . . 10.0 111.075 179.027 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -97.46 142.76 28.92 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.771 -179.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 3.9 m -104.11 113.66 41.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.141 -0.481 . . . . 10.0 111.284 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -90.38 -6.64 54.76 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.437 0.637 . . . . 10.0 109.586 179.361 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -106.7 121.5 44.48 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.449 -0.796 . . . . 10.0 110.51 179.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . 0.817 ' HD1' H5'2 ' B' ' 201' ' ' GSP . 58.7 t80 -71.92 127.96 34.22 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.898 -179.437 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . 0.52 ' O ' ' S1G' ' B' ' 201' ' ' GSP . 21.3 t70 -135.3 109.21 10.42 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.68 -0.236 . . . . 10.0 110.803 179.433 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -56.21 115.17 2.28 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 123.082 2.522 . . . . 10.0 112.047 -179.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.411 ' OG1' ' O3G' ' B' ' 201' ' ' GSP . 1.3 m -91.71 118.75 30.94 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.673 -179.552 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 40.7 mm -81.8 -45.41 20.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 109.016 -0.735 . . . . 10.0 109.016 178.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . 0.743 ' HG2' HD11 ' B' ' 56' ' ' LEU . 6.8 tt0 -178.76 95.26 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.223 -0.899 . . . . 10.0 109.706 178.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -118.0 127.21 53.6 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 121.0 -0.28 . . . . 10.0 110.425 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . 0.586 ' HB2' ' NH1' ' B' ' 41' ' ' ARG . 1.6 p -104.8 130.39 52.91 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.933 0.397 . . . . 10.0 111.043 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -119.56 137.22 53.97 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.255 -0.43 . . . . 10.0 110.886 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.586 ' NH1' ' HB2' ' B' ' 39' ' ' SER . 2.0 mpp_? -108.71 128.51 54.93 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.466 -0.334 . . . . 10.0 110.77 -179.711 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . 0.547 ' HB3' ' HB2' ' B' ' 53' ' ' LEU . 41.0 tptt -131.16 145.51 51.99 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.146 -179.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -128.88 111.2 12.81 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 110.212 -0.292 . . . . 10.0 110.212 179.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 2.0 m -135.91 158.85 39.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.415 -0.357 . . . . 10.0 111.348 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 13.5 t -94.43 96.82 6.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.322 -0.399 . . . . 10.0 109.946 179.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . 0.516 ' HB ' ' SG ' ' B' ' 51' ' ' CYS . 73.3 mt -103.71 120.73 54.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.275 -0.421 . . . . 10.0 110.554 -179.529 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . 0.441 ' HB2' HH12 ' B' ' 164' ' ' ARG . 71.8 m-20 68.6 25.65 6.54 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.505 -0.771 . . . . 10.0 111.764 179.306 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.42 5.27 85.15 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.756 -0.735 . . . . 10.0 112.814 179.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -125.57 135.89 52.71 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.856 0.328 . . . . 10.0 110.492 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 1.7 m -68.31 128.75 37.7 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.804 -0.443 . . . . 10.0 109.804 179.328 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . 0.516 ' SG ' ' HB ' ' B' ' 46' ' ' ILE . 2.1 m -123.56 126.4 46.6 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.834 0.35 . . . . 10.0 111.3 -179.319 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.476 ' HB3' ' HA ' ' B' ' 3' ' ' GLU . 47.2 tp -90.94 102.03 14.8 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.451 -0.944 . . . . 10.0 108.451 178.356 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . 0.547 ' HB2' ' HB3' ' B' ' 42' ' ' LYS . 34.1 mt -82.7 113.7 20.55 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 116.02 -0.536 . . . . 10.0 111.78 -178.088 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -103.95 89.29 3.25 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 107.849 -1.167 . . . . 10.0 107.849 178.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' ILE . . . . . 0.411 HG12 HD12 ' B' ' 6' ' ' LEU . 1.4 mt -94.56 148.74 4.76 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 115.953 -0.567 . . . . 10.0 111.984 -177.534 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.743 HD11 ' HG2' ' B' ' 37' ' ' GLU . 20.6 tp -140.09 121.15 14.68 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.259 -0.428 . . . . 10.0 110.459 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . 0.512 ' OD1' ' HG3' ' B' ' 16' ' ' LYS . 26.3 t0 -89.99 105.94 18.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.783 0.325 . . . . 10.0 110.318 179.082 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 22.9 p -77.9 162.47 26.8 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.839 -0.619 . . . . 10.0 111.58 -179.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -83.66 113.4 20.83 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 116.137 -0.483 . . . . 10.0 109.872 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -91.35 35.75 3.84 Favored Glycine 0 N--CA 1.452 -0.266 0 CA-C-N 116.133 -0.485 . . . . 10.0 112.473 -179.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -93.49 1.34 56.82 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.96 0.41 . . . . 10.0 110.701 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 61.73 -166.59 0.21 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.48 -0.782 . . . . 10.0 112.846 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 78.01 -41.78 0.34 Allowed 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.268 0.627 . . . . 10.0 111.355 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' TYR . . . . . 0.818 ' HB3' ' HB3' ' B' ' 67' ' ' MET . 11.6 m-85 -58.71 96.51 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 121.086 0.469 . . . . 10.0 110.781 179.676 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.33 -40.57 12.69 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.753 -179.408 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -82.93 -32.8 27.02 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.683 -0.488 . . . . 10.0 109.683 179.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . 0.818 ' HB3' ' HB3' ' B' ' 64' ' ' TYR . 17.6 tpp -78.14 67.8 4.04 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.249 -0.649 . . . . 10.0 109.249 179.387 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.11 -60.13 0.32 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.188 -179.151 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.504 ' HA ' HG11 ' B' ' 103' ' ' VAL . 3.8 m-20 -48.14 -50.77 27.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.27 -0.877 . . . . 10.0 112.697 -179.335 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -40.13 -61.9 0.81 Allowed 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 114.272 1.212 . . . . 10.0 114.272 -178.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -78.24 -21.51 49.83 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 113.417 0.895 . . . . 10.0 113.417 -178.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . 0.885 ' HA ' ' HZ ' ' B' ' 78' ' ' PHE . 59.1 mtt -74.51 -40.3 61.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.908 0.385 . . . . 10.0 111.353 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 87.5 mtt180 -72.4 -28.41 62.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.913 0.387 . . . . 10.0 110.803 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 9.1 m -86.04 -42.88 13.58 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.046 -0.525 . . . . 10.0 112.007 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -66.68 143.2 43.42 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 121.256 -0.497 . . . . 10.0 112.846 -179.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -104.26 -38.99 6.66 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.233 0.539 . . . . 10.0 110.35 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -116.48 131.55 9.61 Favored Glycine 0 N--CA 1.447 -0.604 0 N-CA-C 111.21 -0.756 . . . . 10.0 111.21 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . 0.885 ' HZ ' ' HA ' ' B' ' 72' ' ' MET . 66.9 m-85 -113.72 125.78 54.5 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.115 0.483 . . . . 10.0 111.562 -179.675 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.575 HD12 ' HB ' ' B' ' 112' ' ' VAL . 14.7 tp -104.39 115.11 29.8 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.683 -0.689 . . . . 10.0 109.347 179.614 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . 0.692 ' HB3' HD12 ' B' ' 93' ' ' ILE . 14.5 m -92.78 97.6 10.87 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.803 0.335 . . . . 10.0 110.264 -179.51 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 99.0 t -99.53 121.82 50.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.809 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 36.6 p90 -131.1 161.02 33.02 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.701 -0.681 . . . . 10.0 109.879 179.097 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.585 ' HB3' ' HB3' ' B' ' 86' ' ' ASN . . . -97.02 128.26 43.81 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.208 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . 0.477 ' CD1' ' HA ' ' B' ' 118' ' ' CYS . 18.9 pt -67.05 -12.76 15.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.053 0.454 . . . . 10.0 111.693 -179.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . 0.428 ' OD1' ' HB1' ' B' ' 83' ' ' ALA . 32.7 p-10 -105.6 13.79 29.41 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.971 -0.558 . . . . 10.0 110.894 179.615 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.585 ' HB3' ' HB3' ' B' ' 83' ' ' ALA . 23.7 t-20 -140.98 101.94 4.15 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 115.497 -0.774 . . . . 10.0 109.897 179.355 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.75 -18.85 65.02 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.523 0.564 . . . . 10.0 112.523 -179.035 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -61.18 -49.31 77.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.61 0.243 . . . . 10.0 111.2 -179.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . 0.584 ' O ' HG12 ' B' ' 93' ' ' ILE . 2.5 p -63.53 -39.03 93.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.397 -0.365 . . . . 10.0 111.108 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . 0.433 ' CZ ' ' HA ' ' B' ' 130' ' ' ALA . 38.9 t80 -62.31 -36.06 80.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.364 -0.38 . . . . 10.0 111.279 179.725 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -73.86 -38.83 64.35 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.715 179.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . 0.495 ' HA ' ' HD2' ' B' ' 95' ' ' HIS . 0.3 OUTLIER -69.05 -21.28 64.1 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.018 -0.537 . . . . 10.0 112.309 -179.461 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 93' ' ' ILE . . . . . 0.692 HD12 ' HB3' ' B' ' 80' ' ' CYS . 23.5 mm -55.23 -40.51 56.39 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 CA-C-N 116.165 -0.471 . . . . 10.0 110.684 179.488 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -66.49 -41.04 89.53 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.925 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 95' ' ' HIS . . . . . 0.495 ' HD2' ' HA ' ' B' ' 92' ' ' ASP . 98.5 m-70 -64.73 -44.81 88.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.011 -0.541 . . . . 10.0 110.99 -179.459 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -59.88 -44.6 94.09 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.154 -0.476 . . . . 10.0 111.263 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 97' ' ' ARG . . . . . 0.669 HH12 ' HB3' ' C' ' 177' ' ' LYS . 2.9 tmt_? -60.32 -49.09 78.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.044 -0.525 . . . . 10.0 111.813 -179.276 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . 0.581 ' OE2' ' HB2' ' C' ' 179' ' ' LYS . 59.0 mm-40 -66.24 -27.46 67.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.796 0.331 . . . . 10.0 111.567 -179.517 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -75.56 -47.31 27.33 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.522 -0.308 . . . . 10.0 110.463 179.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . 0.402 HG12 ' HE2' ' B' ' 72' ' ' MET . 93.9 mt -58.22 -41.4 80.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-N 116.066 -0.515 . . . . 10.0 111.31 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . 0.49 ' HD2' ' HA ' ' B' ' 107' ' ' GLU . 32.0 mtmt -60.69 -26.32 67.03 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.563 0.579 . . . . 10.0 112.563 -179.595 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 8.5 ttm180 -83.97 -36.75 23.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.151 0.5 . . . . 10.0 110.201 179.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . 0.504 HG11 ' HA ' ' B' ' 69' ' ' ASP . 91.1 t -71.68 -46.71 60.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.406 -0.815 . . . . 10.0 111.547 -179.684 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . 0.427 ' HD2' ' HE2' ' B' ' 78' ' ' PHE . 30.7 mtpp -86.81 -8.68 57.11 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.923 0.342 . . . . 10.0 111.923 -179.218 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 31.3 t0 54.34 71.16 0.54 Allowed 'General case' 0 N--CA 1.468 0.449 0 O-C-N 123.736 0.647 . . . . 10.0 112.083 -179.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 28.8 t -175.29 132.82 0.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.669 -0.696 . . . . 10.0 109.737 179.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . 0.49 ' HA ' ' HD2' ' B' ' 101' ' ' LYS . 38.7 tp10 -80.1 -19.41 47.47 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.336 -0.616 . . . . 10.0 109.336 179.048 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -114.88 120.7 40.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.949 -0.569 . . . . 10.0 111.196 -179.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -149.27 149.15 28.62 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 115.938 -0.573 . . . . 10.0 110.892 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 110' ' ' PRO . . . . . 0.523 ' HG3' ' HB2' ' B' ' 166' ' ' HIS . 21.3 Cg_exo -66.65 115.17 3.41 Favored 'Trans proline' 0 C--O 1.236 0.388 0 C-N-CA 122.518 2.145 . . . . 10.0 110.989 178.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 11.1 ttm -145.61 144.71 30.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.743 -0.208 . . . . 10.0 110.552 -179.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . 0.575 ' HB ' HD12 ' B' ' 79' ' ' LEU . 82.3 t -127.97 128.32 68.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.79 -0.448 . . . . 10.0 109.79 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . 0.43 HD12 ' HB2' ' B' ' 80' ' ' CYS . 18.6 tp -92.59 123.79 36.14 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.068 -0.716 . . . . 10.0 109.068 179.341 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 71.7 t -127.01 125.19 66.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.029 0.442 . . . . 10.0 112.114 -178.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -99.25 118.37 6.16 Favored Glycine 0 N--CA 1.445 -0.719 0 N-CA-C 109.242 -1.543 . . . . 10.0 109.242 178.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 116' ' ' ASN . . . . . 0.492 ' ND2' ' N7 ' ' B' ' 201' ' ' GSP . 65.5 t30 -99.23 167.95 10.35 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.905 0.352 . . . . 10.0 111.813 -178.475 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 94.5 mttt 66.09 32.01 8.5 Favored 'General case' 0 C--O 1.235 0.3 0 O-C-N 123.725 0.64 . . . . 10.0 111.399 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 118' ' ' CYS . . . . . 0.477 ' HA ' ' CD1' ' B' ' 84' ' ' ILE . 78.0 m -72.69 5.07 3.37 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 113.825 1.046 . . . . 10.0 113.825 -178.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -112.08 7.24 19.63 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.227 0.537 . . . . 10.0 110.481 178.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . 0.467 ' HA ' ' HD3' ' B' ' 121' ' ' PRO . 51.0 mt -95.35 139.0 21.81 Favored Pre-proline 0 C--O 1.236 0.394 0 CA-C-N 115.846 -0.616 . . . . 10.0 110.019 179.32 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 121' ' ' PRO . . . . . 0.467 ' HD3' ' HA ' ' B' ' 120' ' ' LEU . 8.2 Cg_exo -72.27 156.08 55.41 Favored 'Trans proline' 0 C--O 1.237 0.449 0 C-N-CA 123.06 2.507 . . . . 10.0 112.88 -178.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 4.3 m 54.7 77.21 0.21 Allowed 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.209 -0.905 . . . . 10.0 112.66 179.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 123' ' ' ARG . . . . . 0.447 ' HD2' ' HA ' ' B' ' 126' ' ' ASP . 2.7 ptp180 -90.2 165.16 14.1 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.124 -0.489 . . . . 10.0 109.966 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -105.33 -45.94 4.35 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.882 0.373 . . . . 10.0 111.095 178.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 63.6 t -92.97 107.89 19.68 Favored 'Isoleucine or valine' 0 C--O 1.238 0.473 0 CA-C-O 120.963 0.411 . . . . 10.0 110.57 179.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . 0.447 ' HA ' ' HD2' ' B' ' 123' ' ' ARG . 17.3 t70 -71.32 148.29 47.23 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.777 -0.647 . . . . 10.0 109.515 179.044 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 2.0 m -53.64 -40.2 65.64 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.125 0.417 . . . . 10.0 112.125 -179.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 128' ' ' LYS . . . . . 0.769 ' HD2' ' H ' ' C' ' 47' ' ' ASP . 36.9 mtmm -57.92 -50.21 74.13 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.467 0.543 . . . . 10.0 112.467 -178.586 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -70.33 -23.27 62.8 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.93 0.395 . . . . 10.0 111.339 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . 0.433 ' HA ' ' CZ ' ' B' ' 90' ' ' PHE . . . -73.09 -45.4 57.39 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.229 -0.656 . . . . 10.0 109.229 178.47 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . 0.624 ' HG3' ' HD2' ' B' ' 141' ' ' PHE . 17.8 mt-30 -68.71 -33.16 73.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.53 -0.759 . . . . 10.0 109.193 178.49 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -61.73 -41.85 98.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.449 -0.796 . . . . 10.0 110.321 178.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 23.6 tp -69.15 -35.7 76.62 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.01 0.433 . . . . 10.0 110.915 179.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.08 -20.94 66.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.789 -0.641 . . . . 10.0 111.772 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 135' ' ' ARG . . . . . 0.492 ' HD3' ' HG3' ' C' ' 161' ' ' ARG . 42.8 mtm105 -64.7 -36.83 85.53 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-O 120.814 0.34 . . . . 10.0 111.254 -179.675 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . 0.409 ' HB3' ' HE3' ' C' ' 177' ' ' LYS . 2.0 m -69.67 -22.18 63.46 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.133 -0.485 . . . . 10.0 111.25 -179.733 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 137' ' ' TYR . . . . . 0.439 ' HB2' HG12 ' B' ' 139' ' ' ILE . 11.6 m-85 -93.19 -39.46 11.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.515 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 84.91 37.27 10.33 Favored Glycine 0 N--CA 1.449 -0.498 0 N-CA-C 110.64 -0.984 . . . . 10.0 110.64 -179.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 139' ' ' ILE . . . . . 0.439 HG12 ' HB2' ' B' ' 137' ' ' TYR . 25.2 pt -125.12 157.89 65.47 Favored Pre-proline 0 C--N 1.324 -0.511 0 N-CA-C 109.913 -0.402 . . . . 10.0 109.913 -179.629 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 140' ' ' PRO . . . . . 0.429 ' HD2' ' HB ' ' B' ' 139' ' ' ILE . 72.5 Cg_endo -77.94 144.95 21.95 Favored 'Trans proline' 0 CA--C 1.531 0.35 0 C-N-CA 122.63 2.22 . . . . 10.0 112.606 -179.65 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 141' ' ' PHE . . . . . 0.624 ' HD2' ' HG3' ' B' ' 131' ' ' GLN . 46.1 t80 -131.22 134.96 46.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 10.0 109.849 179.423 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 142' ' ' ILE . . . . . 0.594 HD11 ' HA ' ' B' ' 155' ' ' ALA . 5.5 pt -138.78 150.47 23.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.422 -0.354 . . . . 10.0 111.152 179.672 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -84.6 137.25 33.4 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.934 -0.765 . . . . 10.0 108.934 178.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 15.6 m -140.46 156.07 46.48 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.134 0.492 . . . . 10.0 111.589 -178.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 3.2 t -145.68 116.79 7.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.592 -0.731 . . . . 10.0 109.066 178.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 146' ' ' ALA . . . . . 0.517 ' HB2' HD23 ' B' ' 19' ' ' LEU . . . -74.56 -26.11 59.73 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.749 0.309 . . . . 10.0 110.23 179.717 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 147' ' ' LYS . . . . . 0.442 ' HB2' ' N1 ' ' B' ' 201' ' ' GSP . 78.4 tttt -63.76 -44.03 94.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.912 -0.586 . . . . 10.0 110.218 179.514 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 32.2 p -91.71 -16.7 26.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.423 0.63 . . . . 10.0 110.067 179.176 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 13.9 ttt-85 68.27 24.33 7.47 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 114.824 -1.08 . . . . 10.0 111.024 -179.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -96.93 125.75 41.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.708 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 89.99 -8.62 79.49 Favored Glycine 0 N--CA 1.452 -0.244 0 CA-C-N 115.929 -0.578 . . . . 10.0 112.926 179.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 77.5 t -57.68 -58.11 7.54 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-O 120.704 0.288 . . . . 10.0 111.67 -179.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.8 -44.34 94.01 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.255 -0.429 . . . . 10.0 111.284 -179.175 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -59.37 -37.14 77.18 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.979 -0.555 . . . . 10.0 112.255 -178.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 155' ' ' ALA . . . . . 0.594 ' HA ' HD11 ' B' ' 142' ' ' ILE . . . -60.26 -45.26 93.92 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.139 0.495 . . . . 10.0 110.487 179.287 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -69.27 -39.19 78.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.758 -0.656 . . . . 10.0 110.822 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -59.54 -46.14 89.75 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.403 0.62 . . . . 10.0 110.689 179.13 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 27.9 m -60.12 -41.71 93.21 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.525 -0.762 . . . . 10.0 111.644 -179.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 159' ' ' LEU . . . . . 0.446 HD22 ' HB2' ' B' ' 79' ' ' LEU . 23.3 tp -61.48 -38.42 87.19 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 120.9 0.381 . . . . 10.0 111.567 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 89.5 t -66.44 -41.65 89.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.265 0.555 . . . . 10.0 109.783 179.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 1.9 tpp180 -63.47 -35.46 80.51 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 115.251 -0.886 . . . . 10.0 110.12 179.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -65.47 -38.45 89.83 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.869 -0.605 . . . . 10.0 111.162 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 163' ' ' ILE . . . . . 0.431 ' O ' ' HG3' ' B' ' 167' ' ' LYS . 65.7 mt -65.34 -43.99 94.82 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 N-CA-C 109.385 -0.598 . . . . 10.0 109.385 178.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 164' ' ' ARG . . . . . 0.441 HH12 ' HB2' ' B' ' 47' ' ' ASP . 97.5 mtt180 -65.55 -32.46 74.07 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.677 -0.692 . . . . 10.0 109.886 179.119 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 165' ' ' LYS . . . . . 0.649 ' HB2' ' HD3' ' C' ' 135' ' ' ARG . 3.9 tmmm? -62.77 -49.48 74.81 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 108.868 -0.79 . . . . 10.0 108.868 178.461 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 166' ' ' HIS . . . . . 0.523 ' HB2' ' HG3' ' B' ' 110' ' ' PRO . 52.7 t-80 -58.37 -41.32 84.5 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.809 -0.632 . . . . 10.0 110.374 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 167' ' ' LYS . . . . . 0.431 ' HG3' ' O ' ' B' ' 163' ' ' ILE . 33.3 mtpt -62.54 -44.81 95.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.828 179.387 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -63.29 -41.73 99.01 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 109.71 -0.478 . . . . 10.0 109.71 179.04 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 5.1 mtpt -60.95 -40.04 91.8 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 115.693 -0.685 . . . . 10.0 110.421 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 69.5 mmm -76.0 -32.7 59.55 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.363 0.505 . . . . 10.0 112.363 -179.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 37.5 m -62.6 -33.45 75.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.044 0.449 . . . . 10.0 111.367 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -98.05 -37.6 9.69 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.0 -0.546 . . . . 10.0 111.168 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 173' ' ' ASP . . . . . 0.435 ' CG ' ' HA ' ' B' ' 178' ' ' LYS . 2.1 t70 60.48 -159.68 0.31 Allowed 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.894 -0.594 . . . . 10.0 111.003 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . -159.32 -93.18 0.09 OUTLIER Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.776 -0.726 . . . . 10.0 112.119 179.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 175' ' ' LYS . . . . . . . . . . . . . 11.6 mttm -134.73 -179.23 5.47 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.553 0.216 . . . . 10.0 110.62 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 176' ' ' LYS . . . . . 0.484 ' HE2' ' O5 ' ' C' ' 215' ' ' 17F . 79.4 tttt 69.31 -76.84 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.727 -0.669 . . . . 10.0 112.653 179.659 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 177' ' ' LYS . . . . . . . . . . . . . 23.0 mmtm -78.87 -69.11 0.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.238 0.459 . . . . 10.0 112.238 -178.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 178' ' ' LYS . . . . . 0.435 ' HA ' ' CG ' ' B' ' 173' ' ' ASP . 3.7 tppt? 55.09 63.09 2.23 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.433 0.635 . . . . 10.0 109.769 -178.43 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 179' ' ' LYS . . . . . . . . . . . . . 29.7 mmtt -71.05 144.6 50.33 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 113.09 0.774 . . . . 10.0 113.09 -177.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 180' ' ' LYS . . . . . 0.4 ' HB3' ' HE2' ' B' ' 180' ' ' LYS . 0.0 OUTLIER -98.52 151.13 20.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.156 -0.929 . . . . 10.0 110.011 179.704 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 69.9 m -127.54 171.05 11.96 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 116.596 -0.275 . . . . 10.0 110.589 179.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -71.62 169.5 15.41 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.981 179.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.07 -50.59 6.07 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.141 179.193 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 184' ' ' LYS . . . . . . . . . . . . . 36.8 mttp . . . . . 0 C--N 1.327 -0.41 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.297 178.71 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.889 0.376 . . . . 10.0 110.962 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 2' ' ' THR . . . . . 0.44 ' HB ' ' CE2' ' C' ' 4' ' ' TYR . 0.2 OUTLIER -93.94 125.01 38.31 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.737 -179.92 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . 0.448 ' HG3' HD23 ' C' ' 52' ' ' LEU . 6.7 tt0 -90.66 136.89 32.77 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.46 -0.336 . . . . 10.0 110.202 179.39 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 4' ' ' TYR . . . . . 0.44 ' CE2' ' HB ' ' C' ' 2' ' ' THR . 99.6 m-85 -129.94 121.19 26.11 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.8 -0.444 . . . . 10.0 109.8 179.458 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 48.1 mttm -91.55 111.43 22.93 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.967 0.413 . . . . 10.0 110.856 -179.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . 0.658 ' HB2' HG12 ' C' ' 55' ' ' ILE . 34.7 mt -113.85 129.08 56.63 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.646 -0.706 . . . . 10.0 110.296 -179.569 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 46.2 t -115.06 118.32 58.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-O 121.113 0.482 . . . . 10.0 110.734 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 10.9 t -84.21 119.05 32.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.978 -0.556 . . . . 10.0 109.517 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 31.2 m -114.43 151.69 16.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 116.319 -0.4 . . . . 10.0 110.832 -179.182 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 163.19 179.69 37.84 Favored Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 111.434 -0.667 . . . . 10.0 111.434 -179.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -86.56 -166.09 1.46 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.185 0.517 . . . . 10.0 111.938 -179.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.6 132.74 33.82 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.864 -0.607 . . . . 10.0 111.837 -179.592 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 77.27 17.28 79.62 Favored Glycine 0 N--CA 1.45 -0.383 0 CA-C-N 115.603 -0.726 . . . . 10.0 113.955 178.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 14' ' ' VAL . . . . . 0.6 HG23 ' HG3' ' C' ' 16' ' ' LYS . 16.2 m -79.6 -32.44 14.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 122.287 -0.537 . . . . 10.0 111.727 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.83 32.01 3.47 Favored Glycine 0 C--N 1.33 0.199 0 C-N-CA 120.654 -0.784 . . . . 10.0 113.599 179.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . 0.6 ' HG3' HG23 ' C' ' 14' ' ' VAL . 6.8 mtmp? -68.95 -45.37 70.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.67 0.748 . . . . 10.0 109.749 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 17' ' ' SER . . . . . 0.484 ' OG ' ' O3G' ' C' ' 201' ' ' GSP . 14.7 m -73.22 -38.75 65.95 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.484 -0.78 . . . . 10.0 111.1 -179.531 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.5 -42.06 70.34 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 19' ' ' LEU . . . . . 0.492 HD22 HG22 ' C' ' 152' ' ' VAL . 87.1 mt -72.08 -43.97 64.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.895 179.341 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 20' ' ' THR . . . . . 0.4 ' O ' HG12 ' C' ' 24' ' ' ILE . 9.7 m -66.54 -43.48 85.0 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.274 0.472 . . . . 10.0 112.274 -179.026 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.04 -35.39 71.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.942 0.401 . . . . 10.0 110.659 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 22' ' ' GLN . . . . . 0.636 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 7.0 mm-40 -68.0 -31.17 70.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.272 0.558 . . . . 10.0 109.879 178.764 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 5.4 tp -78.46 -43.11 27.99 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.646 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 24' ' ' ILE . . . . . 0.439 HD13 ' HD2' ' C' ' 42' ' ' LYS . 47.7 mm -75.34 -68.1 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 113.158 0.799 . . . . 10.0 113.158 -178.531 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -91.42 -17.52 25.66 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 113.185 0.809 . . . . 10.0 113.185 -177.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 26' ' ' ASN . . . . . 0.636 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 39.2 m-80 71.86 47.43 0.32 Allowed 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 114.377 1.251 . . . . 10.0 114.377 178.305 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 15.5 p80 -146.52 155.1 42.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 122.287 -0.258 . . . . 10.0 111.463 178.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -93.26 120.23 33.31 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.925 -0.58 . . . . 10.0 110.614 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 3.4 m -92.13 97.6 7.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.135 0.493 . . . . 10.0 110.954 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -71.69 -20.95 61.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.993 -0.549 . . . . 10.0 109.947 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -87.53 124.03 33.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.708 -0.678 . . . . 10.0 109.596 179.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 32' ' ' TYR . . . . . 0.931 ' HD1' H5'2 ' C' ' 201' ' ' GSP . 84.9 t80 -74.82 133.42 41.91 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.857 -0.337 . . . . 10.0 110.889 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -119.59 117.68 32.62 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.736 179.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_exo -76.14 75.59 4.14 Favored 'Trans proline' 0 N--CA 1.461 -0.427 0 C-N-CA 122.97 2.446 . . . . 10.0 109.948 178.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 35' ' ' THR . . . . . 0.447 ' OG1' ' O3G' ' C' ' 201' ' ' GSP . 4.3 m -60.1 136.59 58.07 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.48 -0.782 . . . . 10.0 112.655 -179.017 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 43.0 mm -96.04 -48.58 12.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 108.202 -1.036 . . . . 10.0 108.202 178.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -171.63 102.67 0.19 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.768 -1.106 . . . . 10.0 108.656 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -118.45 148.35 42.67 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.517 0.199 . . . . 10.0 110.662 -179.089 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 39' ' ' SER . . . . . 0.515 ' HB2' ' NH1' ' C' ' 41' ' ' ARG . 40.1 p -131.37 129.53 41.46 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.7 0.286 . . . . 10.0 110.914 179.588 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -120.85 142.14 49.93 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 110.156 -0.313 . . . . 10.0 110.156 -179.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . 0.515 ' NH1' ' HB2' ' C' ' 39' ' ' SER . 2.0 mpp_? -117.6 136.32 53.37 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.457 -0.338 . . . . 10.0 110.54 179.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 42' ' ' LYS . . . . . 0.439 ' HD2' HD13 ' C' ' 24' ' ' ILE . 51.3 tttp -146.02 139.11 25.87 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.745 -0.207 . . . . 10.0 110.554 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -115.19 107.64 15.57 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.968 -0.382 . . . . 10.0 109.968 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 10.2 m -129.65 174.25 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.075 0.464 . . . . 10.0 111.589 -179.205 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 21.9 t -105.86 116.24 49.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.426 -0.583 . . . . 10.0 109.426 178.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 46' ' ' ILE . . . . . 0.543 HD13 HG21 ' C' ' 160' ' ' VAL . 39.9 mt -122.54 121.16 62.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.902 -179.258 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 47' ' ' ASP . . . . . 0.769 ' H ' ' HD2' ' B' ' 128' ' ' LYS . 5.7 m-20 61.34 31.31 19.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.445 -0.798 . . . . 10.0 111.954 179.058 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.58 8.02 83.64 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.843 -0.694 . . . . 10.0 113.385 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 49' ' ' GLU . . . . . 0.423 ' HB3' ' NH2' ' C' ' 164' ' ' ARG . 29.7 tt0 -125.97 132.41 52.06 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.877 0.338 . . . . 10.0 110.9 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 1.3 m -74.15 128.73 36.3 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.367 -0.975 . . . . 10.0 108.367 178.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 51' ' ' CYS . . . . . 0.405 ' HB3' ' CD2' ' C' ' 4' ' ' TYR . 0.8 OUTLIER -130.79 149.66 52.32 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.256 0.55 . . . . 10.0 112.474 -178.155 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . 0.448 HD23 ' HG3' ' C' ' 3' ' ' GLU . 32.2 tp -106.52 102.4 11.79 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.191 -1.04 . . . . 10.0 108.191 178.023 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 83.6 mt -83.98 116.42 22.81 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.982 -0.553 . . . . 10.0 112.298 -178.005 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -106.5 91.24 3.61 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.024 -1.102 . . . . 10.0 108.024 178.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 55' ' ' ILE . . . . . 0.658 HG12 ' HB2' ' C' ' 6' ' ' LEU . 70.4 mt -101.62 131.69 48.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.444 -0.798 . . . . 10.0 112.051 -177.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 1.5 tt -114.8 135.45 54.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.837 -0.62 . . . . 10.0 110.004 179.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 57' ' ' ASP . . . . . 0.511 ' OD2' ' O3G' ' C' ' 201' ' ' GSP . 24.0 t0 -95.91 116.06 28.36 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.897 -0.592 . . . . 10.0 110.206 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 49.0 p -85.5 171.45 11.75 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.442 -0.799 . . . . 10.0 111.268 -179.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -107.35 110.7 22.76 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.071 178.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -85.46 39.56 3.01 Favored Glycine 0 CA--C 1.507 -0.42 0 C-N-CA 120.763 -0.732 . . . . 10.0 112.129 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -98.68 6.82 46.73 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.509 0.195 . . . . 10.0 111.13 -179.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 62' ' ' GLU . . . . . 0.644 ' HG3' ' H ' ' C' ' 63' ' ' GLU . 4.3 tp10 63.57 -162.91 0.27 Allowed 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.0 -0.545 . . . . 10.0 110.368 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 63' ' ' GLU . . . . . 0.644 ' H ' ' HG3' ' C' ' 62' ' ' GLU . 2.7 tt0 72.61 -43.08 0.55 Allowed 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 113.459 0.911 . . . . 10.0 113.459 179.588 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 64' ' ' TYR . . . . . 0.625 ' HB3' ' HB3' ' C' ' 67' ' ' MET . 68.6 m-85 -79.27 71.76 5.81 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.634 0.605 . . . . 10.0 112.634 -179.142 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.51 -33.66 54.32 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.3 0.571 . . . . 10.0 110.616 179.705 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -77.89 -37.82 47.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.792 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 67' ' ' MET . . . . . 0.625 ' HB3' ' HB3' ' C' ' 64' ' ' TYR . 44.5 ttp -66.96 -22.41 65.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.943 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 68' ' ' ARG . . . . . 0.471 ' HA ' ' CZ ' ' C' ' 71' ' ' TYR . 2.6 ttp180 -63.92 -41.92 97.53 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.113 -0.494 . . . . 10.0 111.646 -179.039 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -60.19 -33.66 72.53 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 116.091 -0.504 . . . . 10.0 111.506 -179.297 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -55.47 -66.27 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 113.173 0.805 . . . . 10.0 113.173 -177.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 71' ' ' TYR . . . . . 0.471 ' CZ ' ' HA ' ' C' ' 68' ' ' ARG . 13.8 p90 -69.93 -16.31 63.2 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 113.892 1.071 . . . . 10.0 113.892 -178.31 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 72' ' ' MET . . . . . 0.688 ' HA ' ' HZ ' ' C' ' 78' ' ' PHE . 44.7 mtt -74.85 -28.85 60.84 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.971 0.415 . . . . 10.0 111.17 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 75.0 mtt180 -78.18 -35.65 48.47 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.986 -0.552 . . . . 10.0 111.58 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.45 -22.01 25.21 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.208 -0.451 . . . . 10.0 112.128 -179.349 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -80.13 128.75 8.67 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.507 -0.854 . . . . 10.0 113.137 -179.267 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -89.77 -33.97 16.35 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.867 -0.42 . . . . 10.0 109.867 179.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -132.42 145.84 17.65 Favored Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 111.191 -0.764 . . . . 10.0 111.191 179.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 78' ' ' PHE . . . . . 0.807 ' HB2' ' HG2' ' C' ' 111' ' ' MET . 96.6 m-85 -121.52 134.54 55.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.266 0.555 . . . . 10.0 111.907 -179.105 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . 0.551 HD12 ' HB ' ' C' ' 112' ' ' VAL . 8.0 tp -105.62 102.5 11.95 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.661 -0.699 . . . . 10.0 109.367 178.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 80' ' ' CYS . . . . . 0.683 ' HB3' HD12 ' C' ' 93' ' ' ILE . 11.0 m -82.3 93.16 7.09 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.801 -179.697 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 81' ' ' VAL . . . . . 0.438 HG22 ' HB ' ' C' ' 114' ' ' VAL . 48.3 t -98.37 123.16 50.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.258 0.551 . . . . 10.0 111.159 -179.722 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -128.41 160.23 32.9 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.626 -0.716 . . . . 10.0 109.663 178.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 83' ' ' ALA . . . . . 0.43 ' HB1' ' OD1' ' C' ' 85' ' ' ASN . . . -99.1 127.02 44.97 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.999 -0.371 . . . . 10.0 109.999 -179.575 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 84' ' ' ILE . . . . . 0.659 ' CD1' ' HA ' ' C' ' 118' ' ' CYS . 24.8 pt -65.41 -18.1 23.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.286 -0.415 . . . . 10.0 111.702 -179.563 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 85' ' ' ASN . . . . . 0.43 ' OD1' ' HB1' ' C' ' 83' ' ' ALA . 11.7 p-10 -92.41 4.15 54.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.731 -0.668 . . . . 10.0 110.638 179.54 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -135.27 98.74 4.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.796 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -58.14 -36.01 72.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.739 -0.664 . . . . 10.0 112.133 -179.281 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -59.63 -39.92 85.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 10.0 112.038 -179.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 96.6 p -66.01 -24.69 66.81 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.973 0.416 . . . . 10.0 111.64 -179.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -74.9 -38.22 61.89 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.51 -0.552 . . . . 10.0 109.51 179.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -72.76 -33.35 66.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.679 -0.691 . . . . 10.0 110.291 179.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -58.23 -32.79 68.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.203 179.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 93' ' ' ILE . . . . . 0.683 HD12 ' HB3' ' C' ' 80' ' ' CYS . 47.1 mm -59.72 -40.8 83.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.001 -0.545 . . . . 10.0 111.26 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -59.84 -48.88 79.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.629 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -65.21 -37.81 88.46 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.719 -0.673 . . . . 10.0 111.151 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 6.8 m-30 -63.93 -45.28 89.93 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.029 -0.532 . . . . 10.0 111.191 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 97' ' ' ARG . . . . . 0.571 ' O ' ' HG3' ' C' ' 101' ' ' LYS . 20.1 ttt-85 -62.68 -42.97 99.91 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.674 -0.239 . . . . 10.0 111.193 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -58.58 -30.91 67.55 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 116.317 -0.402 . . . . 10.0 111.486 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -80.64 -39.86 26.63 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.393 -0.367 . . . . 10.0 110.578 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 96.7 mt -55.1 -44.79 75.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.057 179.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 101' ' ' LYS . . . . . 0.571 ' HG3' ' O ' ' C' ' 97' ' ' ARG . 18.9 mtmt -62.79 -30.53 71.53 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.41 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 26.6 ttm180 -77.05 -44.47 30.64 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.147 -0.478 . . . . 10.0 111.226 -179.115 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 25.0 t -69.63 -45.12 78.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.215 -0.448 . . . . 10.0 111.541 -179.408 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 104' ' ' LYS . . . . . 0.545 ' HD2' ' HE2' ' C' ' 78' ' ' PHE . 18.8 mtpp -82.64 -10.19 59.05 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.386 -0.37 . . . . 10.0 111.288 -179.558 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 21.7 t70 56.95 42.14 26.7 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.363 0.602 . . . . 10.0 111.448 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 17.0 m -153.39 133.23 13.16 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.679 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -74.81 -32.99 62.13 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.617 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -102.81 103.18 13.36 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.309 -0.405 . . . . 10.0 111.545 -179.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 45.5 t -129.9 135.01 26.83 Favored Pre-proline 0 C--N 1.328 -0.344 0 N-CA-C 108.899 -0.778 . . . . 10.0 108.899 179.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -58.8 108.42 0.41 Allowed 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.736 2.291 . . . . 10.0 112.233 179.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 111' ' ' MET . . . . . 0.807 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 53.6 mtm -137.05 152.84 50.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.807 -0.633 . . . . 10.0 110.192 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 112' ' ' VAL . . . . . 0.551 ' HB ' HD12 ' C' ' 79' ' ' LEU . 94.4 t -131.17 133.0 63.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 110.207 -0.294 . . . . 10.0 110.207 179.301 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 113' ' ' LEU . . . . . 0.401 ' O ' ' HA ' ' C' ' 141' ' ' PHE . 21.7 tp -91.55 122.95 34.59 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.364 -0.606 . . . . 10.0 109.364 179.472 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 114' ' ' VAL . . . . . 0.438 ' HB ' HG22 ' C' ' 81' ' ' VAL . 61.8 t -122.71 125.82 73.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-O 121.046 0.451 . . . . 10.0 111.453 -178.448 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -102.27 102.33 2.29 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 109.942 -1.263 . . . . 10.0 109.942 178.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -87.18 163.91 16.66 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.231 0.456 . . . . 10.0 112.231 -177.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 117' ' ' LYS . . . . . 0.621 ' HG2' ' C6 ' ' C' ' 201' ' ' GSP . 86.8 mttt 64.01 30.25 14.1 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.243 -0.89 . . . . 10.0 111.989 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 118' ' ' CYS . . . . . 0.659 ' HA ' ' CD1' ' C' ' 84' ' ' ILE . 1.3 m -69.51 -6.48 30.89 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 112.893 0.701 . . . . 10.0 112.893 -179.624 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -94.48 -5.21 46.66 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 120.741 -0.384 . . . . 10.0 110.245 178.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 120' ' ' LEU . . . . . 0.562 HD12 ' HB3' ' C' ' 117' ' ' LYS . 35.1 mt -82.65 138.94 43.82 Favored Pre-proline 0 C--O 1.234 0.252 0 N-CA-C 109.413 -0.588 . . . . 10.0 109.413 178.423 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -71.48 158.44 53.97 Favored 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 122.498 2.132 . . . . 10.0 113.162 -179.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 35.3 m 56.04 76.24 0.29 Allowed 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.126 -0.943 . . . . 10.0 113.189 179.267 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 123' ' ' ARG . . . . . 0.547 ' HB3' HD12 ' C' ' 84' ' ' ILE . 17.1 ptp180 -85.94 138.1 32.25 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.541 -0.3 . . . . 10.0 110.493 179.463 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -86.22 -33.37 20.77 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.096 0.474 . . . . 10.0 110.576 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 57.6 t -98.56 117.53 43.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.035 -0.529 . . . . 10.0 110.115 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -75.81 159.0 31.47 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.6 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.52 -44.72 70.45 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.321 -0.4 . . . . 10.0 110.758 -179.315 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 128' ' ' LYS . . . . . 0.41 ' HG3' ' H ' ' C' ' 129' ' ' GLN . 9.8 pttm -53.6 -52.62 59.22 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.737 -0.665 . . . . 10.0 112.624 -179.548 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 129' ' ' GLN . . . . . 0.41 ' H ' ' HG3' ' C' ' 128' ' ' LYS . 3.6 pt20 -62.13 -36.39 81.64 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.249 0.462 . . . . 10.0 112.249 -178.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -73.63 -43.1 60.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.153 0.501 . . . . 10.0 110.335 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 131' ' ' GLN . . . . . 0.465 ' HG3' ' HD2' ' C' ' 141' ' ' PHE . 3.2 mt-30 -66.08 -40.02 90.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.578 -0.737 . . . . 10.0 111.931 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -66.22 -41.12 90.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.753 0.311 . . . . 10.0 110.431 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 22.4 tp -62.53 -41.48 98.89 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.985 -0.746 . . . . 10.0 108.985 178.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -67.07 -35.04 78.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.711 -0.677 . . . . 10.0 109.636 178.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 135' ' ' ARG . . . . . 0.649 ' HD3' ' HB2' ' B' ' 165' ' ' LYS . 6.5 tmm_? -65.47 -43.4 90.4 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.4 -0.818 . . . . 10.0 110.37 179.301 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 18.2 m -58.67 -39.41 80.59 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.314 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -83.56 -33.89 25.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.081 -0.509 . . . . 10.0 111.043 -179.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 102.16 30.39 5.71 Favored Glycine 0 N--CA 1.454 -0.137 0 C-N-CA 120.913 -0.661 . . . . 10.0 112.705 179.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 49.1 pt -117.03 154.04 49.7 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-O 120.631 0.253 . . . . 10.0 110.839 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -80.16 155.19 22.45 Favored 'Trans proline' 0 CA--C 1.534 0.508 0 C-N-CA 122.551 2.168 . . . . 10.0 112.283 179.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 141' ' ' PHE . . . . . 0.465 ' HD2' ' HG3' ' C' ' 131' ' ' GLN . 39.7 t80 -126.85 124.33 39.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.48 179.527 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 50.2 mt -127.19 133.95 67.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.301 -0.409 . . . . 10.0 110.364 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -90.46 127.21 36.15 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.174 -0.676 . . . . 10.0 109.174 178.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 81.1 p -127.74 -178.68 4.59 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.565 0.698 . . . . 10.0 112.262 -178.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 1.9 t -170.5 126.33 0.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.805 -1.089 . . . . 10.0 108.824 178.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 146' ' ' ALA . . . . . . . . . . . . . . . -66.93 -26.07 66.67 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.441 -0.345 . . . . 10.0 111.657 -178.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -80.21 -40.38 27.26 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 112.25 0.463 . . . . 10.0 112.25 -179.328 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 31.9 p -84.94 -23.36 28.84 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.38 0.511 . . . . 10.0 112.38 -178.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 149' ' ' ARG . . . . . 0.466 ' HG3' ' O ' ' C' ' 149' ' ' ARG . 13.0 tpt180 68.21 22.86 8.04 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 121.778 0.799 . . . . 10.0 110.1 -179.275 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -91.88 128.97 37.92 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.762 -0.654 . . . . 10.0 111.231 -179.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 72.59 -3.52 25.35 Favored Glycine 0 C--N 1.333 0.365 0 CA-C-N 115.891 -0.595 . . . . 10.0 114.307 178.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 152' ' ' VAL . . . . . 0.492 HG22 HD22 ' C' ' 19' ' ' LEU . 61.0 t -60.16 -51.82 68.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 111.971 0.36 . . . . 10.0 111.971 -178.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.0 -42.14 76.86 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.376 -179.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -67.06 -33.36 75.35 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.611 0.597 . . . . 10.0 112.611 -178.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -56.97 -47.2 81.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.947 0.403 . . . . 10.0 110.637 179.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -68.89 -39.54 79.68 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.62 179.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 3.8 m-30 -64.64 -37.14 86.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.914 -0.585 . . . . 10.0 111.243 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 97.3 m -62.38 -34.96 77.72 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.033 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 159' ' ' LEU . . . . . 0.509 ' HG ' HD22 ' C' ' 6' ' ' LEU . 12.5 tp -64.71 -30.78 71.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.469 0.652 . . . . 10.0 109.625 178.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 160' ' ' VAL . . . . . 0.543 HG21 HD13 ' C' ' 46' ' ' ILE . 21.8 t -73.34 -39.91 56.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.076 -0.713 . . . . 10.0 109.076 178.508 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 161' ' ' ARG . . . . . 0.492 ' HG3' ' HD3' ' B' ' 135' ' ' ARG . 0.7 OUTLIER -61.73 -46.28 90.31 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 115.715 -0.675 . . . . 10.0 110.196 179.217 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -62.38 -41.14 98.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.924 -0.58 . . . . 10.0 111.326 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 18.9 mt -62.22 -44.55 99.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.203 0.525 . . . . 10.0 109.835 178.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 164' ' ' ARG . . . . . 0.423 ' NH2' ' HB3' ' C' ' 49' ' ' GLU . 80.4 mtt180 -65.24 -40.75 94.47 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.719 -0.673 . . . . 10.0 110.431 179.058 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 165' ' ' LYS . . . . . 0.405 ' O ' ' HB2' ' C' ' 169' ' ' LYS . 20.4 ttpt -65.76 -43.04 90.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.508 179.654 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 29.3 t-80 -59.78 -56.37 22.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.954 -0.567 . . . . 10.0 110.879 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -59.78 -37.61 79.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 10.0 111.984 -179.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -70.49 -46.89 62.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.978 0.418 . . . . 10.0 111.011 179.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 169' ' ' LYS . . . . . 0.405 ' HB2' ' O ' ' C' ' 165' ' ' LYS . 0.0 OUTLIER -64.2 -31.64 72.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.494 . . . . 10.0 110.743 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 50.6 mmm -71.02 -30.51 66.75 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.235 -0.438 . . . . 10.0 110.747 179.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 69.8 m -67.34 -29.14 68.61 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.061 0.457 . . . . 10.0 110.17 179.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -100.14 -7.43 24.83 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 116.02 -0.536 . . . . 10.0 110.496 179.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 173' ' ' ASP . . . . . . . . . . . . . 29.5 t70 71.64 -56.24 0.64 Allowed 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 115.195 -0.911 . . . . 10.0 113.42 179.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . -123.92 -174.8 14.23 Favored Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.626 -0.797 . . . . 10.0 112.499 -179.004 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 175' ' ' LYS . . . . . . . . . . . . . 14.0 ptpt -91.78 106.56 18.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.187 0.518 . . . . 10.0 110.717 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 176' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -146.55 93.31 2.28 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.753 -0.658 . . . . 10.0 110.41 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 177' ' ' LYS . . . . . 0.669 ' HB3' HH12 ' B' ' 97' ' ' ARG . 4.5 tptp -124.15 38.6 4.16 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.044 -0.725 . . . . 10.0 109.044 179.335 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 178' ' ' LYS . . . . . . . . . . . . . 46.0 tttm -60.43 145.9 46.51 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.545 -0.752 . . . . 10.0 111.895 -179.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 179' ' ' LYS . . . . . 0.581 ' HB2' ' OE2' ' B' ' 98' ' ' GLU . 0.2 OUTLIER -124.42 161.49 25.9 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.733 179.926 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 180' ' ' LYS . . . . . 0.44 ' HB3' ' HE2' ' C' ' 180' ' ' LYS . 25.0 ttpt -82.63 119.17 23.94 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.794 -0.447 . . . . 10.0 109.794 179.194 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 16.3 m -134.16 160.88 36.46 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.727 -0.215 . . . . 10.0 110.537 -179.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 182' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.7 149.56 42.35 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 110.334 -0.247 . . . . 10.0 110.334 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -132.11 -83.09 0.5 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.055 179.63 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 184' ' ' LYS . . . . . . . . . . . . . 19.3 pttp . . . . . 0 C--O 1.237 0.418 0 CA-C-N 116.514 -0.312 . . . . 10.0 111.63 179.925 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 401' ' ' PCW . . . . . 1.142 ' H62' ' H2 ' ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 402' ' ' PCW . . . . . 0.976 H421 H132 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 403' ' ' PCW . . . . . 1.087 H472 H281 ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 404' ' ' PCW . . . . . 1.115 ' C16' H421 ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 405' ' ' PCW . . . . . 1.1 H361 H461 ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 406' ' ' PCW . . . . . 1.102 H381 H342 ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 407' ' ' PCW . . . . . 1.207 H212 ' C17' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 408' ' ' PCW . . . . . 0.987 ' H31' ' O3 ' ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 409' ' ' PCW . . . . . 1.204 ' C19' H142 ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 410' ' ' PCW . . . . . 1.024 H242 ' H74' ' A' ' 422' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 411' ' ' PCW . . . . . 1.1 H461 H361 ' A' ' 405' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 412' ' ' PCW . . . . . 0.9 H431 H182 ' C' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 413' ' ' PCW . . . . . 0.987 ' O3 ' ' H31' ' A' ' 408' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 414' ' ' PCW . . . . . 1.1 H122 ' H67' ' A' ' 415' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 415' ' ' 17F . . . . . 1.1 ' H67' H122 ' A' ' 414' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 416' ' ' 17F . . . . . 0.936 ' C42' ' H70' ' B' ' 209' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 417' ' ' PCW . . . . . 1.032 H283 H251 ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 418' ' ' PCW . . . . . 1.054 H382 H151 ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 419' ' ' PCW . . . . . 0.95 ' C40' H441 ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 420' ' ' PCW . . . . . 1.032 H251 H283 ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 421' ' ' PCW . . . . . 1.026 H122 ' H11' ' D' ' 630' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 422' ' ' 17F . . . . . 1.038 ' H4A' H132 ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 601' ' ' PCW . . . . . 0.938 H421 H461 ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 602' ' ' PCW . . . . . 1.113 H221 H172 ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 603' ' ' PCW . . . . . 1.098 ' H41' ' H2 ' ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 604' ' ' PCW . . . . . 1.075 ' H2 ' ' H82' ' D' ' 606' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 605' ' ' PCW . . . . . 1.061 H211 H382 ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 606' ' ' PCW . . . . . 1.103 H172 H212 ' D' ' 606' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 607' ' ' PCW . . . . . 1.04 H432 H472 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 608' ' ' PCW . . . . . 1.1 H232 H10A ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 609' ' ' PCW . . . . . 1.058 H171 H141 ' D' ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 610' ' ' PCW . . . . . 0.878 ' C11' ' H18' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 611' ' ' PCW . . . . . 1.055 H362 H421 ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 612' ' ' PCW . . . . . 1.091 ' C32' H352 ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 613' ' ' PCW . . . . . 1.054 H151 H382 ' A' ' 418' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 614' ' ' PCW . . . . . 1.061 H382 H211 ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 615' ' ' PCW . . . . . 1.066 H262 H431 ' A' ' 401' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 616' ' ' PCW . . . . . 0.989 ' C47' H222 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 617' ' ' PCW . . . . . 1.108 ' H39' H162 ' D' ' 619' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 618' ' ' PCW . . . . . 1.084 H461 ' H19' ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 619' ' ' PCW . . . . . 1.108 H162 ' H39' ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 620' ' ' PCW . . . . . 0.943 H141 H421 ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 621' ' ' PCW . . . . . 1.024 H141 ' O9 ' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 622' ' ' PCW . . . . . 1.038 H132 ' H4A' ' A' ' 422' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 623' ' ' PCW . . . . . 1.093 H322 ' C36' ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 624' ' ' PCW . . . . . 0.978 H242 H242 ' C' ' 217' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 625' ' ' PCW . . . . . 1.041 ' H19' H151 ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 626' ' ' PCW . . . . . 1.054 ' H19' ' H73' ' D' ' 606' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 627' ' ' PCW . . . . . 1.091 ' H20' ' C35' ' C' ' 217' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 628' ' ' 17F . . . . . 1.1 H10A H232 ' D' ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 629' ' ' 17F . . . . . 1.084 ' H50' ' H19' ' D' ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 630' ' ' 17F . . . . . 1.026 ' H11' H122 ' A' ' 421' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 631' ' ' 17F . . . . . 1.003 ' H5 ' ' H19' ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 632' ' ' 17F . . . . . 1.024 ' O9 ' H141 ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 201' ' ' GSP . . . . . 0.891 H5'1 ' HA2' ' B' ' 13' ' ' GLY . . . . . . . . 0 O4'--C1' 1.439 2.089 2 O4'-C1'-N19 113.546 5.346 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 202' ' ' ' MG' . . . . . 0.629 'MG ' ' O3G' ' B' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 203' ' ' PCW . . . . . 1.085 ' C5 ' H331 ' C' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 204' ' ' PCW . . . . . 1.027 H442 H462 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 205' ' ' PCW . . . . . 1.092 H212 H282 ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 206' ' ' PCW . . . . . 0.895 H142 H372 ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 207' ' ' PCW . . . . . 1.142 ' H2 ' ' H62' ' A' ' 401' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 208' ' ' PCW . . . . . 1.11 H351 ' H20' ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 209' ' ' 17F . . . . . 1.059 ' H57' H19A ' B' ' 209' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 210' ' ' 17F . . . . . 1.051 ' H12' ' H41' ' B' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 211' ' ' 17F . . . . . 1.096 ' H31' H222 ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 201' ' ' GSP . . . . . 0.931 H5'2 ' HD1' ' C' ' 32' ' ' TYR . . . . . . . . 0 O4'--C1' 1.438 2.019 2 O4'-C1'-N19 113.894 5.694 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 202' ' ' ' MG' . . . . . 0.607 'MG ' ' O3G' ' C' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 203' ' ' PCW . . . . . 1.11 ' H20' H351 ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 204' ' ' PCW . . . . . 1.102 H342 H381 ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 205' ' ' PCW . . . . . 1.088 H471 ' H38' ' C' ' 215' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 206' ' ' PCW . . . . . 1.067 H371 H141 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 207' ' ' PCW . . . . . 0.995 H161 H20A ' C' ' 213' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 208' ' ' PCW . . . . . 1.067 H141 H371 ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 209' ' ' PCW . . . . . 1.115 H422 H271 ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 210' ' ' PCW . . . . . 1.038 H261 H221 ' C' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 211' ' ' PCW . . . . . 1.115 H282 ' H78' ' C' ' 215' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 212' ' ' PCW . . . . . 1.115 H271 H422 ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 213' ' ' 17F . . . . . 0.995 H20A H161 ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 214' ' ' 17F . . . . . 1.011 ' H4 ' ' C4 ' ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 215' ' ' 17F . . . . . 1.115 ' H78' H282 ' C' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 216' ' ' PCW . . . . . 1.008 ' H51' ' O2P' ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 217' ' ' PCW . . . . . 1.091 ' C35' ' H20' ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 218' ' ' 17F . . . . . 0.966 ' H36' H381 ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 219' ' ' 17F . . . . . 0.974 ' H32' H141 ' C' ' 217' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 59.5 mt . . . . . 0 CA--C 1.519 -0.212 0 CA-C-O 120.975 0.417 . . . . 10.0 110.511 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 9.2 tmtm? -60.41 -48.49 81.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.635 -0.711 . . . . 10.0 111.349 -179.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 95.5 mt -67.76 -38.39 83.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.755 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 51.2 mt -65.34 -43.59 90.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.166 0.508 . . . . 10.0 111.209 -179.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -61.72 -39.61 92.12 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.826 -0.625 . . . . 10.0 111.17 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -78.95 -22.54 45.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.112 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 81.8 t90 -71.83 -40.03 69.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.198 179.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -61.8 -35.26 77.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.406 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.68 -45.37 94.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.873 -0.603 . . . . 10.0 110.225 179.327 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 39.1 t -66.92 -39.38 83.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.371 -0.603 . . . . 10.0 109.371 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 31.3 m -60.98 -46.53 90.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.655 -0.702 . . . . 10.0 110.943 179.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 2.4 p -68.58 -28.28 66.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.025 0.441 . . . . 10.0 110.65 179.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 94.0 m -67.3 -43.43 81.71 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 108.625 -0.879 . . . . 10.0 108.625 177.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -60.32 -43.63 96.2 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 115.732 -0.667 . . . . 10.0 110.111 178.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 215' ' ' SER . . . . . 0.532 ' O ' ' HG3' ' A' ' 219' ' ' GLU . 12.9 m -56.03 -54.1 48.94 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.78 179.326 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 22.5 mmtp -61.31 -40.74 95.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.352 -0.385 . . . . 10.0 111.668 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 217' ' ' LEU . . . . . . . . . . . . . 67.6 mt -65.86 -35.41 80.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.348 -0.387 . . . . 10.0 111.055 179.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 55.7 mtt180 -73.48 -35.1 65.63 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 116.645 -0.252 . . . . 10.0 110.951 179.348 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 219' ' ' GLU . . . . . 0.532 ' HG3' ' O ' ' A' ' 215' ' ' SER . 33.9 mt-10 -65.64 -34.17 77.6 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.498 -0.927 . . . . 10.0 108.498 178.046 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 220' ' ' GLN . . . . . 0.437 ' O ' HG23 ' A' ' 224' ' ' VAL . 7.7 tp-100 -77.91 -30.83 50.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.326 -0.852 . . . . 10.0 109.881 179.004 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 221' ' ' LEU . . . . . . . . . . . . . 10.6 mt -56.24 -34.62 66.51 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.883 -0.599 . . . . 10.0 111.323 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -56.41 -69.79 1.17 Allowed Glycine 0 C--N 1.333 0.384 0 N-CA-C 111.01 -0.836 . . . . 10.0 111.01 178.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -51.91 -40.92 65.85 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.697 2.264 . . . . 10.0 111.534 177.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 224' ' ' VAL . . . . . 0.649 HG22 ' HD3' ' D' ' 550' ' ' LYS . 56.1 t -55.98 -56.1 14.65 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 O-C-N 123.069 0.231 . . . . 10.0 111.152 179.292 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . 0.427 ' O ' ' HB2' ' A' ' 229' ' ' TRP . 9.2 p -63.57 -38.33 90.72 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 120.929 -0.308 . . . . 10.0 110.923 -179.706 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -61.78 -47.29 85.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.375 -0.375 . . . . 10.0 111.047 179.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -70.71 -40.89 72.56 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 120.97 0.414 . . . . 10.0 110.877 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -64.25 -44.99 90.09 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.893 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 229' ' ' TRP . . . . . 0.427 ' HB2' ' O ' ' A' ' 225' ' ' THR . 1.1 m-90 -67.19 -34.57 77.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.423 179.369 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -62.25 -50.85 70.1 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.821 -0.437 . . . . 10.0 109.821 178.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 231' ' ' ASN . . . . . 0.586 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 43.7 m-80 -63.77 -35.4 80.48 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.185 -0.672 . . . . 10.0 109.185 178.598 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 232' ' ' LEU . . . . . . . . . . . . . 6.0 mt -62.65 -40.08 95.9 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.675 -0.693 . . . . 10.0 109.917 178.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -63.59 -41.26 98.35 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-N 116.122 -0.49 . . . . 10.0 109.907 179.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 234' ' ' LYS . . . . . 0.586 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 66.6 mttt -64.99 -41.97 94.93 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.254 -0.647 . . . . 10.0 109.254 178.622 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.54 -48.08 83.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.081 -0.963 . . . . 10.0 110.051 178.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 236' ' ' THR . . . . . 0.481 ' O ' ' HG3' ' A' ' 240' ' ' ARG . 1.0 OUTLIER -70.57 -34.49 72.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.077 -0.511 . . . . 10.0 111.146 179.558 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -61.03 -43.62 98.62 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.261 -0.644 . . . . 10.0 109.261 178.367 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -61.68 -42.29 99.73 Favored Glycine 0 N--CA 1.448 -0.549 0 N-CA-C 109.975 -1.25 . . . . 10.0 109.975 178.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 94.0 mt -65.37 -33.64 76.43 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-O 120.762 0.315 . . . . 10.0 110.692 178.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 240' ' ' ARG . . . . . 0.481 ' HG3' ' O ' ' A' ' 236' ' ' THR . 42.1 mtt180 -67.89 -46.73 70.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.981 0.42 . . . . 10.0 110.279 178.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -65.62 -41.19 92.98 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 121.451 0.644 . . . . 10.0 109.292 179.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 242' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -70.32 -20.73 62.98 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.45 -0.796 . . . . 10.0 111.003 179.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 243' ' ' MET . . . . . . . . . . . . . 37.3 ttm -62.76 -30.65 71.6 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.967 -0.753 . . . . 10.0 108.967 178.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 244' ' ' SER . . . . . 0.89 ' HA ' ' HG3' ' A' ' 248' ' ' GLU . 19.0 m -73.69 1.56 10.02 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.434 -0.803 . . . . 10.0 110.337 178.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -124.25 -62.91 1.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.734 -0.667 . . . . 10.0 109.279 178.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 246' ' ' ASP . . . . . 0.672 ' HA ' ' CZ ' ' D' ' 528' ' ' ARG . 7.9 t70 -50.37 -49.72 53.47 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.442 -0.799 . . . . 10.0 112.616 -178.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 247' ' ' LEU . . . . . 0.502 ' O ' HG12 ' A' ' 250' ' ' VAL . 35.5 mt -91.01 -38.61 12.71 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.664 0.616 . . . . 10.0 112.664 -179.267 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 248' ' ' GLU . . . . . 0.89 ' HG3' ' HA ' ' A' ' 244' ' ' SER . 3.2 mm-40 -65.29 -45.06 85.94 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 111.934 0.346 . . . . 10.0 111.934 -179.121 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -69.66 -38.83 77.25 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 121.142 -0.223 . . . . 10.0 110.537 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 250' ' ' VAL . . . . . 0.621 ' O ' ' HB ' ' A' ' 254' ' ' VAL . 2.8 p -63.46 -34.42 67.3 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.188 0 C-N-CA 120.968 -0.293 . . . . 10.0 111.011 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -80.97 -32.82 34.22 Favored 'General case' 0 N--CA 1.456 -0.144 0 CA-C-O 120.918 0.389 . . . . 10.0 110.761 179.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -69.27 -38.95 78.64 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.325 -0.62 . . . . 10.0 109.325 179.02 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -86.61 -16.89 35.32 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.72 -0.673 . . . . 10.0 111.105 179.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 254' ' ' VAL . . . . . 0.621 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.3 OUTLIER -61.93 -25.72 38.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.831 0.348 . . . . 10.0 110.654 179.702 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 255' ' ' GLN . . . . . 0.57 ' HB2' ' HD3' ' A' ' 256' ' ' PRO . 27.0 mt-30 -63.96 -64.48 2.81 Favored Pre-proline 0 N--CA 1.448 -0.539 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.337 179.099 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 256' ' ' PRO . . . . . 0.57 ' HD3' ' HB2' ' A' ' 255' ' ' GLN . 33.9 Cg_endo -66.57 -30.89 42.38 Favored 'Trans proline' 0 C--N 1.359 1.109 0 C-N-CA 121.85 1.7 . . . . 10.0 112.276 178.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 4.5 m-30 -63.52 -57.37 10.41 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.175 0.512 . . . . 10.0 110.406 179.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 55.9 mt -67.92 -34.19 76.14 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.762 -0.654 . . . . 10.0 111.262 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 259' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -64.59 -36.38 84.05 Favored 'General case' 0 CA--C 1.52 -0.178 0 O-C-N 123.211 0.319 . . . . 10.0 110.454 179.304 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -64.91 -52.62 55.44 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 121.292 0.568 . . . . 10.0 109.908 178.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 261' ' ' PHE . . . . . 0.402 ' O ' ' HB2' ' A' ' 265' ' ' TRP . 21.9 m-85 -64.09 -34.54 78.27 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.651 -0.704 . . . . 10.0 110.641 178.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -66.83 -46.82 73.92 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.806 -0.442 . . . . 10.0 109.806 178.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -61.42 -46.22 91.02 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.65 -0.704 . . . . 10.0 109.64 179.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 264' ' ' LYS . . . . . 0.738 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 55.4 mttt -66.1 -37.49 85.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.721 -0.672 . . . . 10.0 110.627 178.726 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 265' ' ' TRP . . . . . 0.402 ' HB2' ' O ' ' A' ' 261' ' ' PHE . 0.4 OUTLIER -62.4 -40.03 95.18 Favored 'General case' 0 CA--C 1.516 -0.363 0 N-CA-C 109.276 -0.639 . . . . 10.0 109.276 178.122 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -62.51 -39.39 93.36 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.671 -0.695 . . . . 10.0 109.38 178.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -68.72 -45.66 70.98 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.01 -0.541 . . . . 10.0 109.564 178.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 268' ' ' GLU . . . . . 0.439 ' O ' ' HB2' ' A' ' 272' ' ' TYR . 16.6 mt-10 -57.96 -48.03 81.16 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 115.975 -0.557 . . . . 10.0 109.829 179.142 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 59.7 mmm -64.23 -41.31 97.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.371 -0.832 . . . . 10.0 110.712 179.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -60.06 -49.22 78.52 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.04 179.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 59.5 mt -65.27 -43.43 91.25 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.621 -0.718 . . . . 10.0 110.006 179.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 272' ' ' TYR . . . . . 0.439 ' HB2' ' O ' ' A' ' 268' ' ' GLU . 0.4 OUTLIER -57.91 -43.49 86.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.657 179.681 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 273' ' ' ARG . . . . . 0.43 ' HA ' HG12 ' A' ' 276' ' ' VAL . 81.9 mtt180 -69.61 -42.85 73.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.099 -0.5 . . . . 10.0 110.34 178.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.78 -23.34 67.32 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.812 -0.631 . . . . 10.0 111.161 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 275' ' ' LYS . . . . . 0.937 ' HG2' HD21 ' D' ' 499' ' ' LEU . 12.1 mptt -94.53 -40.41 9.88 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 116.371 -0.377 . . . . 10.0 111.09 179.148 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 276' ' ' VAL . . . . . 0.43 HG12 ' HA ' ' A' ' 273' ' ' ARG . 3.2 p -56.86 -28.13 27.74 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 N-CA-C 112.573 0.582 . . . . 10.0 112.573 -179.211 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 277' ' ' GLU . . . . . 0.54 ' HB2' ' HD3' ' A' ' 278' ' ' PRO . 2.7 mt-10 -68.16 -63.13 2.62 Favored Pre-proline 0 CA--C 1.537 0.457 0 N-CA-C 111.881 0.326 . . . . 10.0 111.881 179.74 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 278' ' ' PRO . . . . . 0.54 ' HD3' ' HB2' ' A' ' 277' ' ' GLU . 42.9 Cg_endo -69.17 -39.04 8.19 Favored 'Trans proline' 0 C--N 1.353 0.799 0 C-N-CA 121.913 1.742 . . . . 10.0 112.783 179.246 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 279' ' ' LEU . . . . . 0.536 ' HB3' ' HE3' ' D' ' 495' ' ' LYS . 40.4 mt -62.27 -46.02 90.69 Favored 'General case' 0 C--N 1.333 -0.136 0 N-CA-C 111.716 0.265 . . . . 10.0 111.716 -179.228 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 23.2 ttm180 -66.95 -32.02 72.98 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 179.015 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -63.27 -43.47 97.87 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.812 -0.81 . . . . 10.0 108.812 178.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -62.26 -42.18 99.1 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.123 -0.695 . . . . 10.0 109.123 178.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 283' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 279' ' ' LEU . 95.4 mt -64.24 -39.47 94.02 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.389 -0.823 . . . . 10.0 110.458 179.272 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -64.33 -53.75 43.79 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 120.905 0.384 . . . . 10.0 110.458 179.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -63.25 -36.75 84.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.893 -0.594 . . . . 10.0 110.376 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -68.64 -39.23 86.55 Favored Glycine 0 N--CA 1.445 -0.742 0 N-CA-C 110.392 -1.083 . . . . 10.0 110.392 178.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -65.11 -45.49 84.91 Favored 'General case' 0 CA--C 1.515 -0.379 0 N-CA-C 109.126 -0.694 . . . . 10.0 109.126 178.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 288' ' ' ARG . . . . . 0.429 ' O ' ' HB2' ' A' ' 292' ' ' HIS . 93.4 mtt180 -62.01 -34.53 76.37 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.782 -0.451 . . . . 10.0 109.782 179.084 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -68.4 -49.46 59.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.73 -0.668 . . . . 10.0 109.909 179.318 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -65.13 -45.11 86.4 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.838 -0.619 . . . . 10.0 110.748 179.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 69.0 mt -63.86 -31.19 72.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.193 179.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 292' ' ' HIS . . . . . 0.429 ' HB2' ' O ' ' A' ' 288' ' ' ARG . 0.2 OUTLIER -61.4 -55.49 30.9 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.993 -0.743 . . . . 10.0 108.993 178.606 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.38 -33.58 75.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.753 179.472 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 59.6 mt -66.0 -50.6 63.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.271 -0.422 . . . . 10.0 109.948 178.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -63.88 -31.06 72.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.972 0.415 . . . . 10.0 110.512 179.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -67.93 -10.34 52.55 Favored 'General case' 0 C--O 1.225 -0.185 0 CA-C-N 115.899 -0.592 . . . . 10.0 110.995 178.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . 0.5 ' HA ' ' HD3' ' A' ' 297' ' ' LYS . 16.7 mmtp -116.35 -26.83 7.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.242 178.346 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 48.0 mt -65.7 -38.92 90.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.38 -0.373 . . . . 10.0 111.282 179.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 299' ' ' SER . . . . . 0.448 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 19.4 m -72.98 -61.52 1.52 Allowed Pre-proline 0 C--N 1.324 -0.529 0 N-CA-C 113.015 0.746 . . . . 10.0 113.015 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 300' ' ' PRO . . . . . 0.448 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 32.4 Cg_endo -64.44 -53.74 0.99 Allowed 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 122.028 1.818 . . . . 10.0 112.944 -179.285 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 301' ' ' LEU . . . . . 0.498 ' HB2' ' O ' ' A' ' 297' ' ' LYS . 94.6 mt -67.98 -30.41 69.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.672 0.273 . . . . 10.0 110.708 -179.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -69.64 -44.52 63.11 Favored Glycine 0 N--CA 1.451 -0.364 0 N-CA-C 109.879 -1.289 . . . . 10.0 109.879 178.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -60.58 -43.71 97.02 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 108.509 -0.923 . . . . 10.0 108.509 178.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.26 -43.65 94.21 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.073 -0.967 . . . . 10.0 110.049 179.257 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 305' ' ' MET . . . . . 0.532 ' HB2' ' HE2' ' D' ' 473' ' ' LYS . 28.1 ttt -61.65 -35.62 78.46 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.082 0.468 . . . . 10.0 110.001 179.389 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 306' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -68.52 -38.73 81.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.959 -0.564 . . . . 10.0 109.796 178.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 307' ' ' ASP . . . . . 0.52 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 21.8 t70 -72.03 -38.82 69.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.942 -0.572 . . . . 10.0 109.904 179.006 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 308' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -64.47 -35.34 80.61 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.694 -0.854 . . . . 10.0 108.694 178.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -64.25 -33.52 75.99 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 115.603 -0.726 . . . . 10.0 109.08 178.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 310' ' ' ARG . . . . . 0.52 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 89.1 mtt180 -59.01 -49.98 75.83 Favored 'General case' 0 CA--C 1.519 -0.236 0 N-CA-C 109.118 -0.697 . . . . 10.0 109.118 178.286 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -67.58 -40.55 84.83 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.236 179.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 312' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -54.35 -51.79 63.63 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 115.766 -0.652 . . . . 10.0 109.925 178.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 61.6 t -75.7 -34.55 28.91 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.262 0 CA-C-N 115.757 -0.656 . . . . 10.0 111.541 -179.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 314' ' ' ASP . . . . . 0.446 ' HA ' ' CZ ' ' A' ' 317' ' ' ARG . 7.4 t70 -60.19 -47.89 84.05 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.968 0.413 . . . . 10.0 110.053 179.549 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -61.86 -37.81 85.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.748 -0.66 . . . . 10.0 109.552 178.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 32.4 mt -67.57 -46.06 73.75 Favored 'General case' 0 C--O 1.225 -0.211 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.204 178.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 317' ' ' ARG . . . . . 0.446 ' CZ ' ' HA ' ' A' ' 314' ' ' ASP . 18.4 mtm105 -59.25 -46.84 87.42 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 120.918 0.39 . . . . 10.0 110.534 179.44 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 2.9 m -67.05 -16.07 64.12 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 121.358 0.599 . . . . 10.0 111.366 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 6.8 m80 -96.04 -43.11 7.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.912 0.387 . . . . 10.0 110.496 179.175 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 91.7 mt -67.97 -32.5 72.96 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.858 -0.61 . . . . 10.0 111.688 -179.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -54.16 -60.57 7.16 Favored Pre-proline 0 CA--C 1.539 0.538 0 N-CA-C 112.255 0.465 . . . . 10.0 112.255 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -69.12 -33.21 19.56 Favored 'Trans proline' 0 C--N 1.352 0.732 0 C-N-CA 121.512 1.474 . . . . 10.0 111.409 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 323' ' ' TYR . . . . . . . . . . . . . 6.5 m-30 -61.94 -50.17 73.22 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 116.244 -0.435 . . . . 10.0 111.081 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 29.1 p -65.95 -39.64 90.63 Favored 'General case' 0 C--O 1.233 0.2 0 O-C-N 123.324 0.39 . . . . 10.0 110.754 -179.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 325' ' ' ASP . . . . . 0.717 ' HA ' ' HD2' ' A' ' 328' ' ' ARG . 14.0 t0 -59.98 -44.32 94.55 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.966 179.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -78.89 -24.37 44.22 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.176 -0.465 . . . . 10.0 110.239 179.044 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 23.8 tp -65.17 -34.31 78.07 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 107.877 -1.157 . . . . 10.0 107.877 177.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 328' ' ' ARG . . . . . 0.717 ' HD2' ' HA ' ' A' ' 325' ' ' ASP . 73.2 mtt180 -62.58 -38.52 90.43 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 108.503 -0.925 . . . . 10.0 108.503 178.113 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -68.78 -42.99 76.64 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 115.459 -0.791 . . . . 10.0 109.196 178.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 330' ' ' ARG . . . . . 0.819 HH21 ' HB3' ' D' ' 447' ' ' GLU . 9.8 mtt-85 -59.58 -48.26 82.34 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-N 115.563 -0.744 . . . . 10.0 109.668 178.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 93.7 mt -61.38 -44.11 97.71 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.501 -0.772 . . . . 10.0 110.116 179.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -61.24 -44.45 97.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.496 . . . . 10.0 110.339 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -58.75 -44.65 90.62 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.91 0.385 . . . . 10.0 110.457 179.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 58.9 mtt-85 -66.94 -45.56 77.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.788 -0.642 . . . . 10.0 110.304 179.053 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 36.2 mt -60.92 -41.52 96.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.901 -0.59 . . . . 10.0 111.663 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -64.52 -45.24 88.05 Favored 'General case' 0 C--O 1.232 0.159 0 N-CA-C 109.778 -0.453 . . . . 10.0 109.778 179.007 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -63.05 -50.26 71.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.712 -0.677 . . . . 10.0 110.034 179.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 338' ' ' LEU . . . . . 0.468 ' O ' ' HA3' ' A' ' 342' ' ' GLY . 75.0 mt -66.94 -13.15 61.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.053 -0.521 . . . . 10.0 112.287 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 60.7 tttt -89.7 -48.2 7.43 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.857 -0.423 . . . . 10.0 109.857 178.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -69.91 -52.63 23.04 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.783 -0.451 . . . . 10.0 109.783 179.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -68.22 -36.52 79.64 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.135 -0.691 . . . . 10.0 109.135 178.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 342' ' ' GLY . . . . . 0.468 ' HA3' ' O ' ' A' ' 338' ' ' LEU . . . -64.96 -40.25 97.04 Favored Glycine 0 N--CA 1.443 -0.866 0 N-CA-C 110.975 -0.85 . . . . 10.0 110.975 179.159 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -63.81 -37.58 94.89 Favored Glycine 0 N--CA 1.451 -0.344 0 N-CA-C 110.216 -1.153 . . . . 10.0 110.216 178.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -65.98 -41.88 90.55 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 108.923 -0.769 . . . . 10.0 108.923 178.34 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 39.4 mtm180 -63.05 -43.91 97.34 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 115.72 -0.673 . . . . 10.0 109.982 178.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 54.0 mt -61.83 -45.3 94.4 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.67 179.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -63.1 -43.52 98.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.984 -0.553 . . . . 10.0 109.67 178.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 348' ' ' GLU . . . . . 0.586 ' HB3' ' HE2' ' A' ' 352' ' ' LYS . 22.8 mt-10 -62.62 -47.67 82.74 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 115.653 -0.703 . . . . 10.0 109.976 178.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -60.21 -32.28 70.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.384 -0.371 . . . . 10.0 110.743 179.394 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -62.9 -50.01 72.57 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.044 -0.724 . . . . 10.0 109.044 178.158 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -63.7 -44.19 94.4 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.586 -0.734 . . . . 10.0 110.185 179.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 352' ' ' LYS . . . . . 0.586 ' HE2' ' HB3' ' A' ' 348' ' ' GLU . 19.8 mttm -59.47 -47.26 86.16 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 123.527 0.517 . . . . 10.0 110.05 178.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . 0.484 ' O ' ' HG ' ' A' ' 357' ' ' LEU . . . -63.3 -34.62 78.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.565 179.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 72.0 m -63.22 -48.09 79.75 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 109.348 -0.612 . . . . 10.0 109.348 179.035 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -63.78 -35.17 79.72 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 109.774 -0.454 . . . . 10.0 109.774 179.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 356' ' ' HIS . . . . . 0.688 ' CB ' ' H20' ' A' ' 401' ' ' PCW . 10.1 m-70 -64.56 -38.64 91.71 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.825 -0.625 . . . . 10.0 109.411 178.317 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 357' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 353' ' ' ALA . 92.4 mt -69.43 -38.24 77.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.037 -0.529 . . . . 10.0 109.995 179.079 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 11.8 m -61.9 -44.55 96.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.106 178.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 1.5 p -74.77 -27.06 60.17 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.012 -0.54 . . . . 10.0 110.175 179.192 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 26.9 tp -70.69 -30.14 66.63 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.14 -0.689 . . . . 10.0 109.14 178.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 21.8 m -66.66 -28.71 68.68 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.685 -0.689 . . . . 10.0 109.422 178.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 362' ' ' GLU . . . . . 0.426 ' O ' ' HD2' ' A' ' 366' ' ' PRO . 3.0 mm-40 -71.38 -22.29 61.9 Favored 'General case' 0 C--O 1.227 -0.117 0 N-CA-C 108.721 -0.844 . . . . 10.0 108.721 178.25 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 363' ' ' LYS . . . . . 0.671 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 94.5 mttt -93.13 -27.81 16.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.398 -0.819 . . . . 10.0 110.005 179.125 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 364' ' ' ALA . . . . . 0.451 ' O ' ' HB2' ' A' ' 368' ' ' LEU . . . -79.97 -41.41 25.99 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.515 -0.766 . . . . 10.0 111.83 -179.539 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 365' ' ' LYS . . . . . 1.061 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 78.0 mttt -92.27 -74.35 0.04 OUTLIER Pre-proline 0 C--N 1.322 -0.628 0 N-CA-C 112.944 0.72 . . . . 10.0 112.944 -179.686 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 366' ' ' PRO . . . . . 1.061 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 37.6 Cg_exo -61.61 -53.06 2.5 Favored 'Trans proline' 0 C--N 1.355 0.911 0 C-N-CA 122.456 2.104 . . . . 10.0 113.387 -178.494 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 367' ' ' ALA . . . . . 0.671 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -57.34 -51.81 67.89 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.215 0.45 . . . . 10.0 112.215 -179.092 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 368' ' ' LEU . . . . . 0.451 ' HB2' ' O ' ' A' ' 364' ' ' ALA . 16.5 mt -63.18 -37.42 87.14 Favored 'General case' 0 C--N 1.334 -0.081 0 C-N-CA 121.175 -0.21 . . . . 10.0 110.834 179.437 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -63.13 -52.81 61.06 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 110.167 -0.308 . . . . 10.0 110.167 178.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.66 -35.98 79.53 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.219 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 33.2 tp -66.17 -45.05 82.28 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.84 -0.618 . . . . 10.0 110.305 179.09 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 65.6 mtt180 -67.39 -36.89 82.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.825 0.345 . . . . 10.0 110.363 179.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -63.83 -20.99 66.22 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.182 178.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -98.8 -36.08 4.64 Favored Glycine 0 N--CA 1.443 -0.892 0 N-CA-C 111.406 -0.678 . . . . 10.0 111.406 179.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 20.3 mt -66.34 -40.23 89.7 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.61 0.226 . . . . 10.0 111.61 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 376' ' ' LEU . . . . . 0.585 ' O ' ' HG3' ' A' ' 380' ' ' GLU . 81.2 mt -52.65 -60.29 6.84 Favored Pre-proline 0 CA--C 1.533 0.313 0 N-CA-C 112.934 0.716 . . . . 10.0 112.934 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -60.68 -33.34 93.39 Favored 'Trans proline' 0 C--N 1.355 0.899 0 C-N-CA 122.073 1.849 . . . . 10.0 111.741 179.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 24.9 t -64.92 -43.13 96.29 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 N-CA-C 109.797 -0.446 . . . . 10.0 109.797 178.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 77.9 mt -61.85 -38.57 88.72 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.834 -0.621 . . . . 10.0 109.904 178.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 380' ' ' GLU . . . . . 0.585 ' HG3' ' O ' ' A' ' 376' ' ' LEU . 66.2 mt-10 -61.6 -47.95 83.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.564 179.351 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.92 -32.89 74.58 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.379 -0.373 . . . . 10.0 110.207 179.149 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -71.97 -36.84 69.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.754 179.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -62.27 -47.76 82.93 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 109.865 -0.42 . . . . 10.0 109.865 178.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 59.5 t -60.46 -49.21 85.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.8 -0.636 . . . . 10.0 111.097 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 3.6 p -63.32 -40.79 98.29 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.365 -0.379 . . . . 10.0 111.087 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 386' ' ' PHE . . . . . 0.731 ' HZ ' ' H76' ' A' ' 415' ' ' 17F . 0.8 OUTLIER -63.64 -43.61 96.3 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.611 179.377 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 387' ' ' LEU . . . . . 0.415 ' O ' ' HG3' ' A' ' 391' ' ' GLU . 27.0 mt -61.98 -41.02 97.56 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.05 -0.523 . . . . 10.0 109.744 178.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 388' ' ' SER . . . . . 0.57 ' HB3' ' HE2' ' D' ' 594' ' ' LYS . 14.9 m -64.67 -39.8 94.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.757 -0.656 . . . . 10.0 109.721 179.075 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -65.08 -40.81 95.18 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.251 179.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 9.3 mt -57.6 -44.02 85.11 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 116.081 -0.509 . . . . 10.0 109.949 178.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 391' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' ' 387' ' ' LEU . 40.0 mt-10 -63.86 -41.93 97.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.579 -0.737 . . . . 10.0 110.552 179.37 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 392' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -52.75 -47.45 67.42 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.959 -0.564 . . . . 10.0 111.531 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -64.42 -47.69 78.19 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.95 -0.568 . . . . 10.0 111.25 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . 0.428 ' O ' ' HB3' ' A' ' 398' ' ' ASN . 7.3 m -66.86 -20.67 65.96 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.296 0.48 . . . . 10.0 112.296 -179.445 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -86.16 -45.27 11.5 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.432 0.53 . . . . 10.0 112.432 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 396' ' ' LYS . . . . . 0.448 ' HG2' ' HB2' ' D' ' 587' ' ' ALA . 0.4 OUTLIER -94.41 -36.45 11.9 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 114.47 1.285 . . . . 10.0 114.47 -177.733 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 77.2 mt -94.87 -1.3 52.96 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.185 0.517 . . . . 10.0 111.881 -178.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 398' ' ' ASN . . . . . 0.428 ' HB3' ' O ' ' A' ' 394' ' ' THR . 34.8 t-20 . . . . . 0 C--N 1.322 -0.623 0 CA-C-N 116.101 -0.5 . . . . 10.0 110.307 -179.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 2.8 mm? . . . . . 0 N--CA 1.455 -0.2 0 CA-C-O 120.995 0.426 . . . . 10.0 110.554 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -93.66 32.59 1.39 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.493 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 90.4 mt -69.19 -42.06 76.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.998 -0.546 . . . . 10.0 111.108 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 81.7 mt -68.29 -37.92 81.15 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.968 -179.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -63.23 -46.43 86.97 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.83 -0.623 . . . . 10.0 109.579 178.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 404' ' ' ASN . . . . . 0.488 ' O ' HG23 ' D' ' 408' ' ' VAL . 22.3 t-20 -65.59 -46.85 77.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.798 -0.637 . . . . 10.0 109.875 179.254 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -58.3 -40.29 81.61 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.953 -0.567 . . . . 10.0 111.15 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -65.97 -36.54 83.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.076 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 46.0 m -64.22 -36.43 84.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.289 0.566 . . . . 10.0 109.579 178.415 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 408' ' ' VAL . . . . . 0.488 HG23 ' O ' ' D' ' 404' ' ' ASN . 38.4 t -70.03 -32.27 50.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 CA-C-N 115.561 -0.745 . . . . 10.0 109.059 178.157 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 21.8 m -62.86 -42.27 99.69 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 108.903 -0.777 . . . . 10.0 108.903 178.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 2.9 m -61.12 -31.68 71.38 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.743 -0.662 . . . . 10.0 109.389 178.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 411' ' ' THR . . . . . 0.611 HG23 ' HE2' ' A' ' 363' ' ' LYS . 26.3 m -68.71 -42.02 78.26 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.519 -0.764 . . . . 10.0 109.307 178.744 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 412' ' ' PHE . . . . . 0.42 ' HD2' ' O ' ' D' ' 408' ' ' VAL . 22.8 m-85 -63.75 -42.19 97.88 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.955 -0.566 . . . . 10.0 109.689 178.343 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 413' ' ' SER . . . . . 0.461 ' HA ' ' HD2' ' D' ' 416' ' ' ARG . 16.7 m -60.01 -41.25 91.71 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.188 178.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 414' ' ' LYS . . . . . 0.42 ' HD3' ' HA ' ' D' ' 414' ' ' LYS . 66.6 mmtt -66.59 -30.08 70.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.988 0.423 . . . . 10.0 110.452 179.317 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 415' ' ' LEU . . . . . . . . . . . . . 87.3 mt -67.85 -41.8 82.37 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.067 -0.716 . . . . 10.0 109.067 178.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 416' ' ' ARG . . . . . 0.461 ' HD2' ' HA ' ' D' ' 413' ' ' SER . 31.6 mtt180 -66.39 -32.8 74.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.748 -0.66 . . . . 10.0 110.3 179.367 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -61.82 -33.02 73.39 Favored 'General case' 0 C--O 1.227 -0.089 0 CA-C-N 115.819 -0.628 . . . . 10.0 109.832 179.057 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -87.35 -46.81 9.33 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.588 -0.733 . . . . 10.0 110.175 179.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 419' ' ' LEU . . . . . . . . . . . . . 19.3 mt -42.12 -50.39 4.77 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 113.059 0.762 . . . . 10.0 113.059 -179.177 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -55.28 -75.12 0.25 Allowed Glycine 0 CA--C 1.517 0.198 0 C-N-CA 120.735 -0.745 . . . . 10.0 112.385 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 421' ' ' PRO . . . . . 0.506 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 73.4 Cg_exo -52.22 -43.55 52.63 Favored 'Trans proline' 0 C--O 1.235 0.341 0 C-N-CA 123.251 2.634 . . . . 10.0 113.295 179.555 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 41.7 t -58.79 -52.27 62.16 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.22 0 O-C-N 123.254 0.346 . . . . 10.0 111.57 -179.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 12.6 m -64.54 -36.56 84.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.878 0.37 . . . . 10.0 110.747 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -59.71 -50.43 73.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.495 179.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 425' ' ' GLU . . . . . 0.506 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 12.0 pt-20 -76.12 -24.04 54.91 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.871 -0.331 . . . . 10.0 110.937 179.289 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 426' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -66.69 -42.6 86.21 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.848 -0.797 . . . . 10.0 108.848 178.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 32.9 m0 -65.31 -39.27 92.28 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.4 -0.593 . . . . 10.0 109.4 178.34 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -66.13 -39.9 90.22 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.171 -0.678 . . . . 10.0 109.171 178.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 429' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.36 -41.49 98.83 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 108.738 -0.838 . . . . 10.0 108.738 177.481 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 430' ' ' LEU . . . . . . . . . . . . . 27.7 mt -58.84 -39.06 80.13 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 115.657 -0.702 . . . . 10.0 110.272 179.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -61.88 -42.05 98.6 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.128 -0.487 . . . . 10.0 109.931 178.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 36.5 mttp -67.35 -43.49 81.35 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.523 178.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -62.85 -51.19 67.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.692 -0.686 . . . . 10.0 110.695 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 9.0 p -59.33 -48.92 79.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.459 -0.337 . . . . 10.0 110.829 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 435' ' ' GLU . . . . . 0.451 ' OE1' ' HD2' ' D' ' 438' ' ' ARG . 11.9 mm-40 -61.75 -44.04 97.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.465 -0.334 . . . . 10.0 110.773 179.278 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -60.83 -47.32 91.79 Favored Glycine 0 N--CA 1.446 -0.66 0 N-CA-C 110.527 -1.029 . . . . 10.0 110.527 178.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 90.9 mt -62.21 -39.14 91.77 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 109.778 -0.453 . . . . 10.0 109.778 178.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 438' ' ' ARG . . . . . 0.451 ' HD2' ' OE1' ' D' ' 435' ' ' GLU . 60.6 mtt180 -64.56 -36.75 85.23 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 116.491 -0.322 . . . . 10.0 111.021 179.488 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -63.0 -30.64 71.76 Favored 'General case' 0 N--CA 1.456 -0.131 0 CA-C-O 121.192 0.52 . . . . 10.0 110.1 179.095 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -85.35 -39.76 17.27 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.01 -0.737 . . . . 10.0 109.01 178.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 85.7 mmm -63.51 -37.76 88.53 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 115.566 -0.743 . . . . 10.0 112.05 -179.277 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 442' ' ' SER . . . . . 0.453 ' O ' ' HG2' ' D' ' 446' ' ' GLU . 5.5 p -62.45 -46.3 89.12 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.24 0.543 . . . . 10.0 109.763 179.683 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 443' ' ' LYS . . . . . 0.525 ' O ' ' HB2' ' D' ' 447' ' ' GLU . 28.6 mtpp -70.1 -37.73 75.47 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.629 -0.714 . . . . 10.0 110.658 178.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 444' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -67.95 -53.4 26.56 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.921 -0.581 . . . . 10.0 111.98 -179.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 93.5 mt -62.77 -52.51 62.93 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.741 0.645 . . . . 10.0 112.741 -178.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 446' ' ' GLU . . . . . 0.453 ' HG2' ' O ' ' D' ' 442' ' ' SER . 6.7 mm-40 -59.84 -46.08 90.41 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-O 120.661 0.267 . . . . 10.0 111.068 -179.419 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 447' ' ' GLU . . . . . 0.819 ' HB3' HH21 ' A' ' 330' ' ' ARG . 1.3 tt0 -72.44 -24.84 61.27 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 120.897 -0.321 . . . . 10.0 111.069 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -65.29 -38.59 82.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 109.206 -0.665 . . . . 10.0 109.206 178.485 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 74.2 mttt -66.35 -32.71 74.28 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.899 -0.591 . . . . 10.0 109.598 178.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -90.35 6.62 42.37 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.793 -0.639 . . . . 10.0 111.629 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 451' ' ' LYS . . . . . 0.522 ' O ' ' HB2' ' D' ' 455' ' ' TYR . 37.9 mttp -125.82 -41.78 1.95 Allowed 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 111.97 0.359 . . . . 10.0 111.97 179.588 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 69.6 t -69.35 -39.28 78.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.388 -0.369 . . . . 10.0 110.347 179.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 453' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -58.09 -57.55 25.17 Favored Pre-proline 0 CA--C 1.542 0.646 0 CA-C-N 116.619 -0.264 . . . . 10.0 111.329 179.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 454' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -65.34 -25.47 56.63 Favored 'Trans proline' 0 C--N 1.357 1.021 0 C-N-CA 121.682 1.588 . . . . 10.0 111.623 178.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 455' ' ' TYR . . . . . 0.522 ' HB2' ' O ' ' D' ' 451' ' ' LYS . 0.9 OUTLIER -71.87 -43.48 65.38 Favored 'General case' 0 C--O 1.226 -0.184 0 N-CA-C 109.141 -0.688 . . . . 10.0 109.141 178.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 37.4 mt -66.49 -37.15 84.45 Favored 'General case' 0 C--O 1.223 -0.32 0 N-CA-C 109.128 -0.693 . . . . 10.0 109.128 178.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -64.46 -48.75 74.09 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.823 -0.626 . . . . 10.0 109.659 178.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -62.29 -41.17 98.27 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.028 178.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -65.22 -44.66 87.59 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.936 178.742 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -62.93 -35.6 80.66 Favored 'General case' 0 C--O 1.224 -0.259 0 CA-C-N 116.386 -0.37 . . . . 10.0 110.386 179.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 70.8 mttt -64.67 -37.81 88.86 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.423 -0.584 . . . . 10.0 109.423 178.171 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 462' ' ' LYS . . . . . 0.76 ' HD2' H283 ' D' ' 602' ' ' PCW . 7.9 mtmm -75.04 -38.54 61.39 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.843 -0.617 . . . . 10.0 109.656 178.605 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 463' ' ' TRP . . . . . 0.685 ' CD1' ' H71' ' D' ' 629' ' ' 17F . 37.3 m0 -65.58 -41.9 92.37 Favored 'General case' 0 C--O 1.222 -0.354 0 N-CA-C 109.399 -0.593 . . . . 10.0 109.399 178.661 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -63.82 -44.44 93.24 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.811 -0.811 . . . . 10.0 108.811 178.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 465' ' ' GLU . . . . . 0.659 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 1.0 OUTLIER -56.61 -55.37 34.86 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.355 -0.839 . . . . 10.0 109.436 178.446 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -62.75 -37.83 88.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.453 -0.794 . . . . 10.0 111.418 -179.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 467' ' ' MET . . . . . 0.464 ' HA ' ' CD2' ' D' ' 470' ' ' TYR . 53.2 ttm -61.06 -46.04 92.3 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 109.565 -0.531 . . . . 10.0 109.565 179.367 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -67.35 -34.46 77.35 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.144 -0.687 . . . . 10.0 109.144 178.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 469' ' ' LEU . . . . . 0.659 ' HG ' ' O ' ' D' ' 465' ' ' GLU . 84.4 mt -66.14 -28.2 68.61 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 115.75 -0.659 . . . . 10.0 110.234 178.781 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 470' ' ' TYR . . . . . 0.464 ' CD2' ' HA ' ' D' ' 467' ' ' MET . 14.2 m-85 -66.39 -29.62 69.83 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 108.425 -0.954 . . . . 10.0 108.425 177.483 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 471' ' ' ARG . . . . . 0.542 ' HA ' ' HG2' ' D' ' 475' ' ' GLU . 68.8 mtt180 -85.05 -17.74 36.52 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.53 -0.759 . . . . 10.0 110.152 179.286 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -96.06 -14.4 22.95 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.778 -0.646 . . . . 10.0 111.009 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 473' ' ' LYS . . . . . 0.532 ' HE2' ' HB2' ' A' ' 305' ' ' MET . 60.6 mttp -124.5 -64.62 1.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.359 -0.382 . . . . 10.0 111.768 -179.473 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 25.4 t -58.98 -41.7 83.98 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.328 0 N-CA-C 111.834 0.309 . . . . 10.0 111.834 -178.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 475' ' ' GLU . . . . . 0.542 ' HG2' ' HA ' ' D' ' 471' ' ' ARG . 41.6 mm-40 -59.16 -59.31 14.25 Favored Pre-proline 0 CA--C 1.541 0.618 0 N-CA-C 112.89 0.7 . . . . 10.0 112.89 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -62.39 -37.17 62.27 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 121.431 1.42 . . . . 10.0 111.028 178.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 30.9 mt -65.86 -30.22 70.8 Favored 'General case' 0 C--O 1.225 -0.203 0 CA-C-O 120.793 0.33 . . . . 10.0 110.307 179.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 6.8 ttt-85 -61.78 -37.33 83.93 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.072 -0.714 . . . . 10.0 109.072 178.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -75.44 -39.68 58.55 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.741 -0.663 . . . . 10.0 109.551 178.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.0 -43.73 98.46 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 109.18 -0.674 . . . . 10.0 109.18 178.61 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 96.2 mt -72.23 -27.52 62.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.417 -0.81 . . . . 10.0 110.537 179.023 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -67.98 -46.67 70.68 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 108.789 -0.819 . . . . 10.0 108.789 178.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.34 -37.85 86.29 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.854 -0.795 . . . . 10.0 108.854 177.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -63.56 -39.59 97.79 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 110.422 -1.071 . . . . 10.0 110.422 178.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -68.41 -41.66 80.12 Favored 'General case' 0 C--O 1.223 -0.321 0 N-CA-C 109.416 -0.587 . . . . 10.0 109.416 178.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 75.3 mtt180 -60.64 -42.78 97.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.294 -0.412 . . . . 10.0 110.032 178.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -67.49 -44.55 78.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.939 -0.573 . . . . 10.0 109.828 178.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 488' ' ' LYS . . . . . 0.468 ' HA ' ' OE1' ' D' ' 491' ' ' GLU . 59.2 tttt -60.31 -42.06 94.77 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.539 -0.541 . . . . 10.0 109.539 178.686 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 47.8 mt -62.44 -35.18 78.47 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.8 -0.636 . . . . 10.0 109.701 178.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 50.8 t60 -69.98 -42.17 73.48 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 108.892 -0.781 . . . . 10.0 108.892 178.126 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 491' ' ' GLU . . . . . 0.468 ' OE1' ' HA ' ' D' ' 488' ' ' LYS . 73.5 mt-10 -59.11 -42.56 90.81 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 108.594 -0.891 . . . . 10.0 108.594 178.275 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 85.0 mt -70.59 -41.01 72.89 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.368 -0.833 . . . . 10.0 110.611 179.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 493' ' ' GLN . . . . . 0.43 ' C ' ' H ' ' D' ' 495' ' ' LYS . 28.1 mt-30 -56.99 -49.17 76.59 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-O 120.637 0.256 . . . . 10.0 110.998 179.478 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -76.61 19.76 0.26 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.264 0.554 . . . . 10.0 111.484 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 495' ' ' LYS . . . . . 0.536 ' HE3' ' HB3' ' A' ' 279' ' ' LEU . 37.5 mttp -132.27 -49.9 0.93 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.601 -0.727 . . . . 10.0 109.612 178.258 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 496' ' ' LEU . . . . . 0.449 ' O ' ' HA3' ' D' ' 500' ' ' GLY . 42.1 mt -63.58 -28.44 69.93 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.288 -0.414 . . . . 10.0 111.225 179.613 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 497' ' ' SER . . . . . 0.402 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 37.3 m -76.66 -61.05 0.79 Allowed Pre-proline 0 CA--C 1.539 0.52 0 C-N-CA 121.015 -0.274 . . . . 10.0 111.713 178.631 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 498' ' ' PRO . . . . . 0.402 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 31.7 Cg_endo -65.21 -50.31 2.12 Favored 'Trans proline' 0 C--N 1.356 0.953 0 C-N-CA 122.082 1.854 . . . . 10.0 111.87 179.599 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 499' ' ' LEU . . . . . 0.937 HD21 ' HG2' ' A' ' 275' ' ' LYS . 74.3 mt -70.56 -29.32 65.74 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 116.684 -0.234 . . . . 10.0 110.494 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 500' ' ' GLY . . . . . 0.449 ' HA3' ' O ' ' D' ' 496' ' ' LEU . . . -62.52 -49.16 76.26 Favored Glycine 0 N--CA 1.448 -0.564 0 N-CA-C 110.723 -0.951 . . . . 10.0 110.723 179.135 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -71.08 -28.98 64.73 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.901 -0.407 . . . . 10.0 109.901 178.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 502' ' ' GLU . . . . . 0.536 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 32.8 tt0 -68.36 -46.49 69.96 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.113 -0.699 . . . . 10.0 109.113 178.542 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 503' ' ' MET . . . . . 0.41 ' HG2' ' O ' ' D' ' 499' ' ' LEU . 95.3 mmm -63.44 -36.99 85.58 Favored 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 109.059 -0.719 . . . . 10.0 109.059 178.355 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 504' ' ' ARG . . . . . 0.436 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 97.4 mtt180 -63.43 -44.15 95.4 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.09 -0.707 . . . . 10.0 109.09 177.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -62.53 -41.69 99.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.55 -0.75 . . . . 10.0 109.972 179.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 506' ' ' ARG . . . . . 0.536 ' HG3' ' O ' ' D' ' 502' ' ' GLU . 80.0 mtt180 -62.47 -47.58 83.38 Favored 'General case' 0 CA--C 1.522 -0.111 0 N-CA-C 108.416 -0.957 . . . . 10.0 108.416 178.04 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -57.95 -43.49 86.44 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.333 -0.849 . . . . 10.0 110.296 179.354 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 508' ' ' ARG . . . . . 0.436 ' HG3' ' O ' ' D' ' 504' ' ' ARG . 37.6 mtt180 -61.7 -41.74 98.0 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.918 -0.401 . . . . 10.0 109.918 178.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 509' ' ' ALA . . . . . 0.738 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -65.57 -35.87 82.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.77 179.476 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 510' ' ' HIS . . . . . 0.544 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 71.1 m-70 -75.55 -43.82 46.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.319 178.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 41.7 t -63.85 -43.28 97.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.178 179.289 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 512' ' ' ASP . . . . . 0.419 ' HA ' ' HD2' ' D' ' 515' ' ' ARG . 25.3 t70 -65.3 -32.52 74.22 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.732 -0.47 . . . . 10.0 109.732 179.413 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -66.02 -44.94 83.26 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 108.523 -0.917 . . . . 10.0 108.523 177.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 514' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' D' ' 510' ' ' HIS . 89.9 mt -59.15 -28.62 66.75 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.914 -0.584 . . . . 10.0 110.912 179.191 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 515' ' ' ARG . . . . . 0.476 ' O ' ' HB3' ' D' ' 519' ' ' ALA . 76.6 mtt180 -65.25 -30.4 71.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.042 0.449 . . . . 10.0 110.556 179.068 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 1.2 m -105.15 -7.26 19.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.294 0.568 . . . . 10.0 110.693 -179.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 517' ' ' HIS . . . . . 0.425 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 23.6 m170 -100.74 -59.31 1.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.953 -0.567 . . . . 10.0 111.382 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 81.7 mt -77.43 -51.48 10.71 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.708 0.633 . . . . 10.0 112.708 -178.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 519' ' ' ALA . . . . . 0.629 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -48.31 -59.39 6.08 Favored Pre-proline 0 CA--C 1.538 0.509 0 N-CA-C 113.789 1.033 . . . . 10.0 113.789 -178.53 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 520' ' ' PRO . . . . . 0.629 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 31.8 Cg_exo -64.68 -44.7 10.18 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 121.788 1.659 . . . . 10.0 111.882 179.531 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -61.31 -42.65 99.01 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 112.15 0.426 . . . . 10.0 112.15 -179.264 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 522' ' ' SER . . . . . . . . . . . . . 24.7 p -65.35 -30.22 71.03 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.895 0.379 . . . . 10.0 110.837 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 523' ' ' ASP . . . . . 0.61 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 6.6 t70 -74.83 -38.16 62.1 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.435 -0.58 . . . . 10.0 109.435 178.645 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -67.91 -33.18 74.21 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 107.798 -1.186 . . . . 10.0 107.798 176.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 525' ' ' LEU . . . . . 0.658 HD23 ' HD2' ' D' ' 528' ' ' ARG . 7.8 mt -66.17 -34.91 79.11 Favored 'General case' 0 C--O 1.217 -0.615 0 CA-C-N 114.988 -1.006 . . . . 10.0 108.806 177.396 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 526' ' ' ARG . . . . . 0.61 ' HD2' ' HA ' ' D' ' 523' ' ' ASP . 58.5 mtt180 -63.35 -34.57 77.99 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 109.48 -0.563 . . . . 10.0 109.48 178.58 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -67.18 -40.22 86.53 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 108.34 -0.985 . . . . 10.0 108.34 178.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 528' ' ' ARG . . . . . 0.672 ' CZ ' ' HA ' ' A' ' 246' ' ' ASP . 93.7 mtt180 -67.83 -39.84 83.84 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.733 -0.84 . . . . 10.0 108.733 178.04 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 529' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' D' ' 525' ' ' LEU . 97.5 mt -61.93 -39.31 91.6 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.895 -0.593 . . . . 10.0 109.66 178.633 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 530' ' ' ALA . . . . . 0.46 ' O ' ' HB2' ' D' ' 534' ' ' GLU . . . -65.24 -37.49 87.43 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.663 -0.699 . . . . 10.0 109.893 178.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -71.1 -40.32 71.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.986 -0.552 . . . . 10.0 109.567 178.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 532' ' ' ARG . . . . . 0.465 ' O ' ' HG ' ' D' ' 536' ' ' LEU . 1.3 mtt180 -64.49 -48.94 73.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.807 -0.633 . . . . 10.0 109.453 178.371 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 79.7 mt -64.41 -28.23 69.54 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.057 179.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 534' ' ' GLU . . . . . 0.46 ' HB2' ' O ' ' D' ' 530' ' ' ALA . 23.4 tt0 -64.66 -48.57 74.29 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 108.423 -0.954 . . . . 10.0 108.423 178.116 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -68.11 -37.29 80.99 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.674 -0.694 . . . . 10.0 109.723 178.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 536' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' D' ' 532' ' ' ARG . 93.1 mt -66.98 -26.33 66.76 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.849 -0.614 . . . . 10.0 110.696 179.349 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -83.1 -41.34 18.69 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.14 -0.689 . . . . 10.0 109.14 178.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -62.43 -51.64 66.72 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 109.199 -0.667 . . . . 10.0 109.199 178.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -71.53 -30.31 65.77 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.574 179.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -65.12 -51.74 47.63 Favored Glycine 0 N--CA 1.447 -0.624 0 CA-C-N 115.88 -0.6 . . . . 10.0 111.642 179.465 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -62.28 -37.35 94.43 Favored Glycine 0 N--CA 1.448 -0.522 0 N-CA-C 111.049 -0.82 . . . . 10.0 111.049 179.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -67.57 -51.04 55.34 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.945 -0.391 . . . . 10.0 109.945 178.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 543' ' ' ARG . . . . . . . . . . . . . 56.3 mtt180 -61.69 -32.2 72.38 Favored 'General case' 0 C--O 1.223 -0.303 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.944 179.548 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 544' ' ' LEU . . . . . 0.534 ' O ' ' HB2' ' D' ' 548' ' ' HIS . 27.0 mt -62.9 -41.41 99.42 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.247 -0.649 . . . . 10.0 109.247 178.359 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -71.86 -41.69 67.79 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.819 -0.628 . . . . 10.0 109.519 178.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -62.8 -48.88 77.19 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.878 179.529 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -67.61 -36.27 80.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.326 -0.397 . . . . 10.0 111.004 179.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 548' ' ' HIS . . . . . 0.534 ' HB2' ' O ' ' D' ' 544' ' ' LEU . 0.2 OUTLIER -67.17 -44.59 79.33 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 109.248 -0.649 . . . . 10.0 109.248 178.48 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -61.49 -45.5 93.97 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 109.137 -0.69 . . . . 10.0 109.137 178.463 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 550' ' ' LYS . . . . . 0.649 ' HD3' HG22 ' A' ' 224' ' ' VAL . 0.0 OUTLIER -64.43 -30.18 71.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.71 -0.677 . . . . 10.0 110.662 179.133 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -65.9 -42.9 89.63 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.687 -0.486 . . . . 10.0 109.687 178.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.6 -43.33 97.23 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.174 -0.676 . . . . 10.0 109.174 178.273 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -64.74 -41.33 96.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.416 -0.811 . . . . 10.0 109.911 179.202 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 62.6 t60 -64.12 -46.55 83.66 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.059 179.05 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 23.2 tp -61.85 -43.25 99.22 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.368 -0.378 . . . . 10.0 111.172 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 3.7 p -66.48 -40.01 89.07 Favored 'General case' 0 C--O 1.225 -0.202 0 C-N-CA 121.131 -0.228 . . . . 10.0 110.664 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 33.2 m -69.58 -33.16 72.33 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.168 0.508 . . . . 10.0 110.279 179.145 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 14.2 mt -72.07 -50.57 27.21 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.923 -0.581 . . . . 10.0 110.394 178.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 559' ' ' SER . . . . . 0.451 ' HA ' ' HB3' ' D' ' 562' ' ' ALA . 9.0 p -63.39 -31.19 72.27 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.87 0.367 . . . . 10.0 110.628 179.668 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -56.62 -32.28 65.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.293 -0.867 . . . . 10.0 110.746 178.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 561' ' ' LYS . . . . . 0.423 ' C ' ' HD2' ' D' ' 564' ' ' PRO . 51.9 mttp -109.29 -23.22 11.69 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 116.236 -0.438 . . . . 10.0 111.438 179.436 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 562' ' ' ALA . . . . . 0.451 ' HB3' ' HA ' ' D' ' 559' ' ' SER . . . -59.06 -48.58 81.09 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-O 120.725 0.298 . . . . 10.0 111.143 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 563' ' ' LYS . . . . . 0.787 ' HB2' ' HD3' ' D' ' 564' ' ' PRO . 87.0 mttt -58.63 -58.33 20.03 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.009 -0.541 . . . . 10.0 111.523 179.538 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 564' ' ' PRO . . . . . 0.787 ' HD3' ' HB2' ' D' ' 563' ' ' LYS . 53.2 Cg_exo -59.59 -37.59 87.46 Favored 'Trans proline' 0 C--N 1.359 1.082 0 C-N-CA 122.234 1.956 . . . . 10.0 111.868 178.664 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -62.46 -49.52 75.11 Favored 'General case' 0 CA--C 1.514 -0.431 0 N-CA-C 110.172 -0.307 . . . . 10.0 110.172 179.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 22.5 mt -58.29 -48.28 81.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.203 179.025 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -61.35 -49.86 75.24 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.995 -0.548 . . . . 10.0 111.755 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -62.96 -42.77 99.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.854 0.359 . . . . 10.0 110.861 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 569' ' ' LEU . . . . . . . . . . . . . 37.5 mt -60.87 -44.36 97.15 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 109.667 -0.494 . . . . 10.0 109.667 179.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 75.7 mtt180 -63.43 -43.1 98.42 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.945 0.402 . . . . 10.0 110.142 178.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -63.32 -25.68 68.41 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.588 -0.733 . . . . 10.0 111.368 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -92.82 -36.77 5.96 Favored Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 111.17 -0.772 . . . . 10.0 111.17 179.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 21.2 mt -64.27 -42.39 96.47 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.167 0.432 . . . . 10.0 112.167 -179.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 574' ' ' LEU . . . . . . . . . . . . . 61.8 mt -53.34 -60.67 6.39 Favored Pre-proline 0 CA--C 1.535 0.389 0 N-CA-C 112.803 0.668 . . . . 10.0 112.803 -179.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -65.07 -39.79 22.65 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 121.917 1.745 . . . . 10.0 111.817 179.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 7.7 t -60.9 -41.26 88.17 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-O 120.843 0.354 . . . . 10.0 110.83 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 20.0 mt -64.5 -34.99 79.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.123 178.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 578' ' ' GLU . . . . . 0.424 ' O ' HG23 ' D' ' 582' ' ' VAL . 78.3 mm-40 -66.93 -40.7 87.67 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 108.789 -0.819 . . . . 10.0 108.789 178.17 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 2.7 m -65.51 -38.4 89.57 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 108.745 -0.835 . . . . 10.0 108.745 178.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 2.3 m-30 -62.6 -41.32 98.9 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.678 -0.692 . . . . 10.0 110.183 178.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -63.26 -41.39 99.04 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.106 -0.701 . . . . 10.0 109.106 178.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 582' ' ' VAL . . . . . 0.424 HG23 ' O ' ' D' ' 578' ' ' GLU . 53.1 t -61.34 -48.52 88.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.612 -0.722 . . . . 10.0 110.473 179.139 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 1.2 p -66.79 -40.25 88.08 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.123 -0.49 . . . . 10.0 111.375 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 584' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -62.79 -48.28 79.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.017 179.038 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 70.5 mt -60.0 -50.02 75.39 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.891 -0.595 . . . . 10.0 111.424 -179.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 7.5 p -62.96 -31.73 72.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.698 0.285 . . . . 10.0 111.4 -179.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 587' ' ' ALA . . . . . 0.448 ' HB2' ' HG2' ' A' ' 396' ' ' LYS . . . -75.69 -54.26 7.24 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.712 0.292 . . . . 10.0 110.413 178.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 588' ' ' LEU . . . . . 0.56 HD22 ' H50' ' D' ' 630' ' ' 17F . 94.4 mt -56.79 -45.33 82.25 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.004 -0.544 . . . . 10.0 112.087 -179.531 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 589' ' ' GLU . . . . . 0.481 ' O ' ' HG3' ' D' ' 593' ' ' LYS . 24.2 mt-10 -58.74 -43.78 90.35 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.512 -0.313 . . . . 10.0 111.301 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -74.82 -35.26 62.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.494 -0.321 . . . . 10.0 111.415 -179.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 591' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -61.07 -43.4 98.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.037 0.446 . . . . 10.0 109.804 178.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 4.8 m -71.76 -10.0 59.12 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 115.721 -0.672 . . . . 10.0 111.231 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 593' ' ' LYS . . . . . 0.481 ' HG3' ' O ' ' D' ' 589' ' ' GLU . 90.0 mttt -88.76 -46.25 9.13 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.106 0.479 . . . . 10.0 109.907 178.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 594' ' ' LYS . . . . . 0.57 ' HE2' ' HB3' ' A' ' 388' ' ' SER . 11.1 mptt -75.72 -40.03 56.3 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.854 -0.612 . . . . 10.0 111.848 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 82.3 mt -93.11 33.39 1.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.119 0.485 . . . . 10.0 110.557 179.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 . . . . . 0 C--N 1.325 -0.468 0 CA-C-N 115.921 -0.582 . . . . 10.0 111.095 -179.746 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 4.2 m . . . . . 0 CA--C 1.53 0.203 0 CA-C-O 121.135 0.493 . . . . 10.0 110.792 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.87 121.89 39.08 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.104 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.499 ' HG3' HD23 ' B' ' 52' ' ' LEU . 24.3 tt0 -97.82 132.64 43.24 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.386 179.632 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -121.28 114.67 21.7 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.412 -0.358 . . . . 10.0 110.089 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.793 ' HA ' ' HB3' ' B' ' 54' ' ' ASP . 52.3 mttm -81.62 107.82 14.68 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.444 -0.343 . . . . 10.0 110.168 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 8.6 mt -116.42 126.95 54.15 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.154 -0.475 . . . . 10.0 111.132 -178.321 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 88.6 t -107.88 131.44 58.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.725 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 11.8 t -90.85 120.05 39.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 108.84 -0.8 . . . . 10.0 108.84 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.415 HG23 ' HA ' ' B' ' 80' ' ' CYS . 13.9 m -116.52 144.64 23.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 120.87 0.367 . . . . 10.0 111.688 -179.704 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 154.9 167.8 17.2 Favored Glycine 0 N--CA 1.447 -0.597 0 N-CA-C 111.456 -0.657 . . . . 10.0 111.456 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.17 171.36 11.14 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 121.131 0.491 . . . . 10.0 111.437 -179.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -84.33 123.79 30.56 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.115 0.484 . . . . 10.0 111.238 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 116.65 -9.69 16.58 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.683 -0.77 . . . . 10.0 112.596 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 17.2 m -78.73 -9.61 12.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.956 0.408 . . . . 10.0 111.105 179.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . 0.644 ' HA2' ' H8 ' ' B' ' 201' ' ' GSP . . . 97.38 32.97 6.11 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 121.054 -0.593 . . . . 10.0 111.682 -179.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.478 ' HB3' ' OD1' ' B' ' 57' ' ' ASP . 6.9 mmmm -52.48 -57.83 8.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.094 0.473 . . . . 10.0 111.313 -179.761 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.43 -28.17 41.71 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.724 -0.671 . . . . 10.0 111.474 -179.083 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.12 -47.67 82.58 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.45 -0.341 . . . . 10.0 111.281 -179.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 79.7 mt -65.03 -39.15 92.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.185 0.517 . . . . 10.0 110.75 179.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . 0.412 ' O ' HG12 ' B' ' 24' ' ' ILE . 21.5 m -65.08 -51.56 60.69 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.877 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.44 -36.22 71.68 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 CA-C-N 116.603 -0.271 . . . . 10.0 111.485 -179.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . 0.635 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 0.4 OUTLIER -66.62 -24.89 66.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.985 0.421 . . . . 10.0 110.806 179.514 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 18.2 tp -91.28 -35.3 14.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.458 -0.337 . . . . 10.0 110.964 179.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.412 HG12 ' O ' ' B' ' 20' ' ' THR . 47.5 mm -81.49 -61.45 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 112.283 0.475 . . . . 10.0 112.283 -179.432 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -91.03 -11.37 38.99 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.342 -0.39 . . . . 10.0 111.977 -178.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . 0.635 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 42.8 m-80 71.1 19.98 5.34 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 114.187 1.18 . . . . 10.0 114.187 178.058 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -131.35 156.86 44.79 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.483 -0.487 . . . . 10.0 111.684 179.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -95.17 130.79 41.75 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.259 -179.125 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 2.0 m -91.89 116.33 32.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.191 -0.458 . . . . 10.0 110.521 179.179 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -94.73 18.21 12.08 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.353 0.597 . . . . 10.0 109.814 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -126.96 130.08 49.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.718 -0.674 . . . . 10.0 110.692 -179.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . 0.546 ' HA ' H5'2 ' B' ' 201' ' ' GSP . 63.9 t80 -59.84 142.25 53.81 Favored 'General case' 0 C--O 1.237 0.402 0 O-C-N 123.368 0.418 . . . . 10.0 111.342 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -146.21 105.14 4.1 Favored Pre-proline 0 C--O 1.236 0.383 0 CA-C-N 115.887 -0.597 . . . . 10.0 111.4 -179.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . 0.449 ' HG3' ' HE2' ' B' ' 32' ' ' TYR . 12.0 Cg_exo -71.1 79.2 1.39 Allowed 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.914 2.409 . . . . 10.0 111.32 179.577 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.3 111.23 5.08 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.56 -0.746 . . . . 10.0 111.177 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.598 ' HA ' ' HB2' ' B' ' 59' ' ' ALA . 45.8 mm -78.14 -49.19 21.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.546 -0.538 . . . . 10.0 109.546 179.514 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . 0.579 ' HG2' HD11 ' B' ' 56' ' ' LEU . 4.6 tt0 -174.08 101.67 0.1 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.811 -0.631 . . . . 10.0 110.406 179.32 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -133.12 136.27 45.71 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.419 -0.585 . . . . 10.0 109.419 179.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 2.2 m -105.28 146.81 28.82 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.815 0.341 . . . . 10.0 111.489 -178.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -134.04 123.04 23.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.118 -179.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.509 ' HD2' ' OD2' ' B' ' 54' ' ' ASP . 0.8 OUTLIER -101.73 128.24 48.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.172 -0.467 . . . . 10.0 111.399 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 47.6 tttp -142.2 122.75 14.13 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.141 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -100.24 125.6 46.44 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.616 -0.513 . . . . 10.0 109.616 179.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -141.14 166.22 18.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 120.936 0.398 . . . . 10.0 111.211 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 15.8 t -96.99 107.47 19.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.779 -0.646 . . . . 10.0 109.707 179.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . 0.783 HD13 HG21 ' B' ' 160' ' ' VAL . 37.5 mt -117.89 126.87 75.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.2 -0.455 . . . . 10.0 110.083 -179.38 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . 0.526 ' HA ' ' HD2' ' C' ' 128' ' ' LYS . 9.6 m-20 63.77 14.23 8.09 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 115.909 -0.587 . . . . 10.0 111.988 179.551 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 98.88 3.09 57.11 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.905 -0.664 . . . . 10.0 112.435 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -117.19 143.34 45.96 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.897 0.349 . . . . 10.0 111.094 -179.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -85.2 105.86 16.21 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 109.054 -0.721 . . . . 10.0 109.054 178.431 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 3.3 m -116.88 147.46 42.17 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.315 -0.402 . . . . 10.0 111.513 -178.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.499 HD23 ' HG3' ' B' ' 3' ' ' GLU . 18.0 tp -105.6 116.34 31.77 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.344 -0.613 . . . . 10.0 109.344 178.495 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 53.2 mt -88.69 122.47 32.15 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.323 -0.399 . . . . 10.0 110.928 -179.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . 0.793 ' HB3' ' HA ' ' B' ' 5' ' ' LYS . 18.3 t70 -99.69 88.95 3.96 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.408 -0.96 . . . . 10.0 108.408 178.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' ILE . . . . . 0.406 HD12 HD11 ' B' ' 24' ' ' ILE . 20.1 mt -86.41 137.93 19.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.058 0.456 . . . . 10.0 111.331 -178.168 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.579 HD11 ' HG2' ' B' ' 37' ' ' GLU . 66.2 tp -137.04 111.16 8.34 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.879 -0.6 . . . . 10.0 110.572 179.632 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . 0.478 ' OD1' ' HB3' ' B' ' 16' ' ' LYS . 28.6 t0 -84.27 124.8 31.61 Favored 'General case' 0 CA--C 1.519 -0.227 0 N-CA-C 109.501 -0.555 . . . . 10.0 109.501 179.181 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 40.6 p -102.1 147.69 26.3 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.248 -179.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' ALA . . . . . 0.598 ' HB2' ' HA ' ' B' ' 36' ' ' ILE . . . -68.18 104.36 1.79 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.214 0.53 . . . . 10.0 111.029 179.315 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -82.86 35.29 2.72 Favored Glycine 0 N--CA 1.454 -0.13 0 C-N-CA 121.033 -0.604 . . . . 10.0 112.446 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -99.76 10.11 41.89 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.08 0.467 . . . . 10.0 110.935 -179.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.711 ' HG3' ' H ' ' B' ' 63' ' ' GLU . 3.4 tp10 65.1 -166.81 0.22 Allowed 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.524 -0.762 . . . . 10.0 112.595 178.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.711 ' H ' ' HG3' ' B' ' 62' ' ' GLU . 0.5 OUTLIER 77.02 -10.14 1.4 Allowed 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.782 0.833 . . . . 10.0 112.193 -179.611 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' TYR . . . . . 0.52 ' HE2' ' HB3' ' B' ' 59' ' ' ALA . 21.4 m-30 -93.26 109.16 20.69 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.914 0.388 . . . . 10.0 111.825 -179.333 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 2.6 p -108.34 -65.21 1.14 Allowed 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.018 -0.734 . . . . 10.0 109.018 178.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.63 -34.65 60.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.58 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 26.5 ttt -62.43 -39.23 92.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.27 -0.423 . . . . 10.0 111.11 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . 0.626 ' HA ' ' CZ ' ' B' ' 71' ' ' TYR . 7.3 ttp180 -69.74 -34.66 74.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.695 -0.684 . . . . 10.0 111.054 -179.622 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -57.61 -37.68 73.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.423 -0.808 . . . . 10.0 112.255 -179.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -58.19 -66.17 0.53 Allowed 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.88 0.696 . . . . 10.0 112.88 -178.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' TYR . . . . . 0.626 ' CZ ' ' HA ' ' B' ' 68' ' ' ARG . 5.1 p90 -67.12 -20.49 65.78 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.847 0.684 . . . . 10.0 112.847 -178.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 22.9 mtt -67.87 -36.8 80.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.766 0.317 . . . . 10.0 110.734 179.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . 0.718 ' HG3' HG12 ' B' ' 103' ' ' VAL . 6.6 mtm180 -76.04 -37.4 58.39 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.974 0.416 . . . . 10.0 110.776 179.359 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 4.3 m -71.8 -36.32 70.25 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.749 -0.659 . . . . 10.0 111.587 -179.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.5 145.26 48.44 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.811 -0.709 . . . . 10.0 112.358 -179.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -103.0 -39.06 7.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.907 0.384 . . . . 10.0 110.221 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -121.48 139.82 13.41 Favored Glycine 0 N--CA 1.447 -0.63 0 N-CA-C 111.04 -0.824 . . . . 10.0 111.04 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -125.67 128.92 48.57 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.008 0.433 . . . . 10.0 111.126 -179.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.483 HD13 HD22 ' B' ' 159' ' ' LEU . 9.8 tp -109.43 114.33 27.89 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.684 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . 0.7 ' HB3' HD12 ' B' ' 93' ' ' ILE . 10.8 m -84.28 99.51 10.63 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 120.976 0.417 . . . . 10.0 110.113 179.637 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 49.0 t -98.08 128.83 49.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.599 -0.728 . . . . 10.0 110.008 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 82' ' ' PHE . . . . . 0.458 ' HB3' HD11 ' B' ' 93' ' ' ILE . 30.6 p90 -141.9 156.34 45.5 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.548 179.588 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -98.67 128.87 45.09 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.076 -0.713 . . . . 10.0 109.076 178.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . 0.674 HD11 ' HA ' ' B' ' 118' ' ' CYS . 26.0 pt -66.53 -12.09 14.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 120.767 0.318 . . . . 10.0 111.349 -179.615 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -95.9 9.55 40.22 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.822 -0.626 . . . . 10.0 110.813 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.415 ' OD1' ' HB3' ' B' ' 88' ' ' LYS . 26.5 t-20 -140.45 106.65 5.24 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.4 179.607 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.69 -33.13 75.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 10.0 112.29 -179.285 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . 0.415 ' HB3' ' OD1' ' B' ' 86' ' ' ASN . 26.0 tptp -54.81 -47.39 74.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.021 0.439 . . . . 10.0 110.839 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 19.9 m -63.57 -25.43 68.24 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.988 -0.551 . . . . 10.0 112.348 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -75.51 -38.52 59.38 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.154 0.502 . . . . 10.0 110.569 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -75.12 -32.35 61.37 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.425 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.53 -28.28 69.21 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.764 -0.653 . . . . 10.0 111.378 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 93' ' ' ILE . . . . . 0.7 HD12 ' HB3' ' B' ' 80' ' ' CYS . 41.4 mm -54.33 -43.33 61.71 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.174 179.429 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 69.5 t60 -59.05 -52.19 66.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.044 -0.526 . . . . 10.0 111.259 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 72.8 m-70 -64.76 -33.39 75.86 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.042 -0.527 . . . . 10.0 111.604 -178.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -68.03 -47.84 67.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.598 -0.274 . . . . 10.0 110.297 178.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 17.3 ttt180 -58.55 -47.96 82.49 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.594 179.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -62.34 -39.2 92.31 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.783 -0.644 . . . . 10.0 111.155 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 99' ' ' GLN . . . . . 0.521 ' O ' HG23 ' B' ' 103' ' ' VAL . 44.1 tt0 -66.37 -50.82 62.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.13 -0.486 . . . . 10.0 111.151 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 73.6 mt -57.93 -39.28 70.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-O 120.773 0.321 . . . . 10.0 110.788 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . 0.403 ' HB2' ' HE3' ' B' ' 101' ' ' LYS . 22.9 mtmt -63.43 -31.18 72.27 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.121 0.486 . . . . 10.0 111.496 179.604 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? -80.18 -35.59 36.21 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.33 -0.395 . . . . 10.0 110.501 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . 0.718 HG12 ' HG3' ' B' ' 73' ' ' ARG . 57.6 t -68.45 -57.77 8.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.306 -0.407 . . . . 10.0 111.8 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 30.9 mtpp -81.37 -12.61 58.93 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 111.865 0.32 . . . . 10.0 111.865 -178.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 33.6 t0 58.59 56.75 4.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.244 0.545 . . . . 10.0 112.183 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 8.1 t -154.14 128.77 9.3 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.745 -0.661 . . . . 10.0 109.696 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -78.02 -43.78 28.46 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.316 -0.402 . . . . 10.0 111.156 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -91.35 105.48 17.81 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.232 0.539 . . . . 10.0 111.548 -179.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 95.5 t -133.76 129.71 20.41 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 115.473 -0.785 . . . . 10.0 109.657 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -59.04 106.71 0.31 Allowed 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.908 2.405 . . . . 10.0 112.443 179.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 65.1 mtm -132.26 150.41 52.16 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.357 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 98.5 t -129.77 132.7 65.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 109.53 -0.544 . . . . 10.0 109.53 179.276 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 15.9 tp -82.72 114.62 21.19 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.056 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 97.5 t -105.26 107.35 22.4 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 N-CA-C 112.606 0.595 . . . . 10.0 112.606 -178.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -92.97 105.3 3.29 Favored Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 108.834 -1.707 . . . . 10.0 108.834 177.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 34.3 t-20 -99.36 154.39 18.23 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 112.534 0.568 . . . . 10.0 112.534 -177.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . 0.496 ' NZ ' ' N7 ' ' B' ' 201' ' ' GSP . 4.9 mtmm 74.5 38.1 0.52 Allowed 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.15 -0.932 . . . . 10.0 112.99 179.234 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 118' ' ' CYS . . . . . 0.674 ' HA ' HD11 ' B' ' 84' ' ' ILE . 56.6 m -75.34 -9.48 58.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.913 -0.585 . . . . 10.0 112.257 179.71 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -86.67 -10.72 53.16 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.968 0.414 . . . . 10.0 111.258 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 62.6 mt -89.88 137.43 28.3 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 116.233 -0.44 . . . . 10.0 110.345 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -72.72 163.88 37.18 Favored 'Trans proline' 0 C--O 1.235 0.348 0 C-N-CA 122.876 2.384 . . . . 10.0 112.802 -179.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 1.8 m 55.56 71.0 0.58 Allowed 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.85 -0.614 . . . . 10.0 112.459 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -88.75 137.33 32.42 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.822 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.93 -51.58 13.41 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.198 -0.456 . . . . 10.0 110.921 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 76.5 t -86.46 112.96 23.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.121 -0.696 . . . . 10.0 109.121 178.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -74.45 149.89 40.18 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.067 -0.515 . . . . 10.0 109.924 -179.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.39 -28.33 66.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.107 0.479 . . . . 10.0 109.88 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 128' ' ' LYS . . . . . 0.542 ' HB3' ' HA ' ' C' ' 47' ' ' ASP . 15.0 mttp -59.2 -58.63 7.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.311 -0.859 . . . . 10.0 111.133 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . 0.445 ' HA ' ' HB3' ' B' ' 132' ' ' ASP . 2.0 pt20 -68.28 -26.93 65.9 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 112.452 0.538 . . . . 10.0 112.452 -179.323 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.42 -47.08 83.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.03 0.443 . . . . 10.0 110.313 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -79.59 -24.93 41.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.722 179.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . 0.445 ' HB3' ' HA ' ' B' ' 129' ' ' GLN . 20.9 t0 -64.58 -42.57 95.54 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.707 -0.678 . . . . 10.0 110.629 179.499 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 17.1 tp -69.39 -32.41 71.41 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.616 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -71.29 -19.92 62.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.95 -0.568 . . . . 10.0 112.061 -179.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 135' ' ' ARG . . . . . 0.454 ' HA ' ' HE2' ' C' ' 165' ' ' LYS . 34.5 mtm105 -56.79 -60.96 2.79 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.228 0.455 . . . . 10.0 112.228 -179.513 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 2.6 m -68.37 -18.84 64.57 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.804 -0.635 . . . . 10.0 112.525 -178.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 17.2 m-30 -82.22 -38.91 23.85 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.948 -0.301 . . . . 10.0 110.813 179.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 93.23 11.13 58.87 Favored Glycine 0 C--N 1.332 0.318 0 C-N-CA 121.038 -0.601 . . . . 10.0 112.379 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 44.3 pt -102.59 156.38 35.35 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-O 120.499 0.19 . . . . 10.0 110.82 -179.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -88.44 158.0 6.63 Favored 'Trans proline' 0 N--CA 1.457 -0.653 0 C-N-CA 122.755 2.303 . . . . 10.0 112.274 179.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -133.57 132.75 41.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.849 -0.614 . . . . 10.0 110.184 179.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 3.5 mp -130.59 139.12 52.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.408 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -77.37 136.55 38.44 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.581 -0.896 . . . . 10.0 108.581 178.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -136.83 153.66 50.73 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 113.344 0.868 . . . . 10.0 113.344 -178.201 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 15.7 t -153.65 117.96 4.87 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.807 -1.088 . . . . 10.0 108.287 178.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . -79.79 -16.12 56.13 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.003 0.43 . . . . 10.0 110.701 -179.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 72.4 tttt -72.02 -32.73 67.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.833 -0.621 . . . . 10.0 110.658 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 2.0 p -115.95 -10.34 11.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.306 -0.406 . . . . 10.0 110.965 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 3.9 mtt-85 66.87 25.51 9.49 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 115.525 -0.761 . . . . 10.0 111.956 -179.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -75.03 118.63 18.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.298 -0.41 . . . . 10.0 111.55 -179.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 66.81 13.32 61.2 Favored Glycine 0 C--N 1.335 0.474 0 CA-C-N 115.975 -0.557 . . . . 10.0 114.191 178.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 41.8 t -67.9 -56.3 13.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 112.564 0.579 . . . . 10.0 112.564 -178.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.15 -38.41 90.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.654 0.264 . . . . 10.0 110.942 -178.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -63.11 -38.53 91.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.349 -0.387 . . . . 10.0 111.613 -179.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -59.37 -40.23 85.82 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.814 0.34 . . . . 10.0 110.438 179.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -69.3 -38.66 78.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.831 179.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 19.0 m-30 -68.42 -33.3 73.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.886 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 32.5 m -61.88 -37.1 83.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.069 179.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 159' ' ' LEU . . . . . 0.483 HD22 HD13 ' B' ' 79' ' ' LEU . 54.0 tp -62.07 -39.68 93.23 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.448 179.484 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 160' ' ' VAL . . . . . 0.783 HG21 HD13 ' B' ' 46' ' ' ILE . 3.4 t -68.85 -38.61 78.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.232 179.595 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 1.7 tpp180 -59.02 -40.46 85.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.681 -0.691 . . . . 10.0 111.068 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -64.02 -36.66 84.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 10.0 111.176 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 69.2 mt -68.22 -40.18 82.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.131 -0.486 . . . . 10.0 109.722 179.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 164' ' ' ARG . . . . . 0.404 ' HG3' ' O ' ' B' ' 160' ' ' VAL . 57.0 mtp180 -66.5 -32.97 74.67 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.337 0.589 . . . . 10.0 110.317 179.372 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -65.77 -46.47 78.65 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.749 -0.659 . . . . 10.0 110.017 178.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 33.3 t-80 -61.99 -49.12 77.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.846 -0.616 . . . . 10.0 111.819 -179.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -49.54 -48.43 48.33 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 113.029 0.751 . . . . 10.0 113.029 -178.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -71.41 -50.05 35.78 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 113.001 0.741 . . . . 10.0 113.001 -178.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 17.8 mtpp -61.95 -38.33 88.08 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.102 0.408 . . . . 10.0 112.102 -178.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 21.7 ttt -66.42 -26.25 67.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 10.0 111.696 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 67.4 m -65.29 -20.72 66.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.357 -0.383 . . . . 10.0 111.661 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -109.49 11.9 24.73 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.91 0.386 . . . . 10.0 110.102 178.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 173' ' ' ASP . . . . . 0.613 ' OD2' ' HE2' ' B' ' 176' ' ' LYS . 18.2 t70 66.49 -83.53 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.372 -0.831 . . . . 10.0 112.224 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . 177.88 -113.13 0.4 Allowed Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.569 -0.824 . . . . 10.0 112.665 -179.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 175' ' ' LYS . . . . . 0.685 ' HG2' ' HB2' ' B' ' 180' ' ' LYS . 8.1 mptt -127.85 -57.75 1.25 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.973 0.416 . . . . 10.0 111.042 -179.337 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 176' ' ' LYS . . . . . 0.728 ' HE3' ' HE2' ' C' ' 182' ' ' LYS . 71.2 mmtt 75.73 -46.98 0.57 Allowed 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 114.218 1.192 . . . . 10.0 114.218 179.736 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 177' ' ' LYS . . . . . 0.917 ' HE2' ' HA ' ' B' ' 177' ' ' LYS . 5.2 mmpt? -78.85 -8.56 58.93 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.373 0.509 . . . . 10.0 112.373 -179.123 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 21.3 mtmm 62.79 23.89 14.24 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.256 -0.429 . . . . 10.0 111.921 179.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 179' ' ' LYS . . . . . 0.455 ' HG2' ' HB3' ' B' ' 177' ' ' LYS . 32.2 mmmt -88.41 16.55 6.27 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.31 0.576 . . . . 10.0 111.178 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 180' ' ' LYS . . . . . 0.685 ' HB2' ' HG2' ' B' ' 175' ' ' LYS . 28.8 mmtp -132.54 169.28 16.82 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.914 -0.584 . . . . 10.0 109.965 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.53 -170.37 0.2 Allowed 'General case' 0 C--O 1.238 0.486 0 CA-C-N 116.272 -0.422 . . . . 10.0 111.456 -179.417 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 8.5 mtpt -59.85 -72.87 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.078 0.466 . . . . 10.0 110.988 179.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -98.81 -54.53 2.98 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.248 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 184' ' ' LYS . . . . . 0.481 ' HE2' ' OE2' ' C' ' 107' ' ' GLU . 1.9 ttpm? . . . . . 0 C--O 1.236 0.365 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.886 -179.388 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 13.3 m . . . . . 0 C--O 1.237 0.429 0 CA-C-O 121.022 0.439 . . . . 10.0 111.005 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 1.2 m -93.87 125.8 38.7 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.421 -179.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -93.93 134.48 36.27 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 116.403 -0.362 . . . . 10.0 110.109 179.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -123.19 116.95 24.25 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.611 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 58.2 mttm -87.96 106.66 18.27 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.037 -0.529 . . . . 10.0 109.669 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 14.8 mt -111.74 131.57 55.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.96 -0.564 . . . . 10.0 111.527 -178.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 32.4 t -116.78 127.99 74.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.288 -0.415 . . . . 10.0 110.163 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.428 HG12 ' HD2' ' C' ' 16' ' ' LYS . 6.4 t -91.89 113.25 26.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 109.152 -0.685 . . . . 10.0 109.152 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 18.0 m -113.25 151.99 15.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.208 0.528 . . . . 10.0 111.604 -178.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 156.28 178.08 30.08 Favored Glycine 0 N--CA 1.446 -0.648 0 N-CA-C 111.329 -0.708 . . . . 10.0 111.329 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . 0.414 ' HB3' ' HB3' ' C' ' 89' ' ' SER . . . -75.3 154.26 37.47 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.266 0.555 . . . . 10.0 111.385 -179.578 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -68.81 111.69 5.04 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.573 -0.739 . . . . 10.0 110.991 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.5 -0.89 14.11 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.481 -0.866 . . . . 10.0 113.812 178.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 33.6 m -76.46 -25.0 16.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.997 0.398 . . . . 10.0 111.74 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 108.3 30.87 3.7 Favored Glycine 0 CA--C 1.52 0.403 0 C-N-CA 120.558 -0.829 . . . . 10.0 113.167 179.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . 0.428 ' HD2' HG12 ' C' ' 8' ' ' VAL . 27.3 mtmt -62.46 -37.04 84.39 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.01 0.433 . . . . 10.0 110.974 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 3.7 m -73.83 -44.3 56.09 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.281 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.24 -48.72 78.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.949 -0.569 . . . . 10.0 111.553 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 60.7 mt -59.27 -47.67 84.5 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.903 0.383 . . . . 10.0 111.134 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 10.1 m -64.16 -45.9 86.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 10.0 111.693 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.23 -32.44 54.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.553 0.216 . . . . 10.0 110.842 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 22' ' ' GLN . . . . . 0.544 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 6.3 mm-40 -64.07 -22.3 66.87 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 112.266 0.469 . . . . 10.0 112.266 179.624 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 22.2 tp -103.18 -34.73 8.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.943 0.402 . . . . 10.0 110.612 179.173 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 24' ' ' ILE . . . . . 0.528 HD11 HD12 ' C' ' 55' ' ' ILE . 41.3 mm -74.99 -62.9 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.096 -0.502 . . . . 10.0 111.929 -179.46 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -93.91 -17.8 22.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.908 0.385 . . . . 10.0 110.82 -179.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 26' ' ' ASN . . . . . 0.544 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 0.7 OUTLIER 70.31 41.94 0.98 Allowed 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 114.099 1.148 . . . . 10.0 114.099 177.931 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 12.4 p80 -150.14 160.27 43.79 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 110.096 -0.335 . . . . 10.0 110.096 178.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -106.21 142.43 35.91 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.742 0.306 . . . . 10.0 111.297 -178.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 2.4 m -119.26 128.52 75.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.307 179.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -88.96 -24.81 22.33 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.27 0.557 . . . . 10.0 110.495 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -72.8 149.77 43.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.873 -0.603 . . . . 10.0 110.561 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 32' ' ' TYR . . . . . 0.978 ' CE1' H5'2 ' C' ' 201' ' ' GSP . 11.7 t80 -97.71 127.23 43.51 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.329 0.492 . . . . 10.0 112.329 -179.484 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -132.31 98.65 16.72 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.08 179.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -53.3 119.36 6.03 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 123.159 2.573 . . . . 10.0 111.956 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 35' ' ' THR . . . . . 0.424 ' OG1' ' O3G' ' C' ' 201' ' ' GSP . 0.2 OUTLIER -95.6 116.72 29.25 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.293 -179.631 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . 0.419 ' HA ' ' HB2' ' C' ' 59' ' ' ALA . 51.4 mm -75.95 -49.34 26.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 108.48 -0.933 . . . . 10.0 108.48 178.178 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 37' ' ' GLU . . . . . 0.675 ' HG3' HG22 ' C' ' 58' ' ' THR . 22.3 tt0 -176.65 96.61 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 114.926 -1.034 . . . . 10.0 109.892 178.755 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -116.25 147.01 41.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.014 -0.539 . . . . 10.0 110.124 -179.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 39' ' ' SER . . . . . 0.42 ' HB2' ' NH1' ' C' ' 41' ' ' ARG . 5.3 p -127.05 141.51 51.76 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.775 0.321 . . . . 10.0 111.213 -179.566 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -133.3 140.33 47.38 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.665 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . 0.5 ' HA ' ' O ' ' C' ' 53' ' ' LEU . 2.1 mpp_? -113.74 135.64 53.72 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.817 0.341 . . . . 10.0 110.845 179.682 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 41.1 tttp -148.75 130.68 15.24 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.207 -0.451 . . . . 10.0 110.433 179.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.84 121.92 38.08 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.121 -0.49 . . . . 10.0 109.863 179.096 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 12.8 m -133.26 162.24 40.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.949 0.404 . . . . 10.0 111.036 -179.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 14.5 t -102.54 100.64 10.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.899 -0.591 . . . . 10.0 109.742 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 46' ' ' ILE . . . . . 0.473 ' HB ' ' SG ' ' C' ' 51' ' ' CYS . 51.9 mt -107.02 117.9 53.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.312 -179.705 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 47' ' ' ASP . . . . . 0.542 ' HA ' ' HB3' ' B' ' 128' ' ' LYS . 12.2 m-20 61.28 24.03 14.19 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.703 -0.681 . . . . 10.0 111.576 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.41 0.71 72.8 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.625 -0.798 . . . . 10.0 112.391 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -104.45 142.92 33.75 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.887 0.375 . . . . 10.0 110.95 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 7.2 m -81.31 100.17 9.04 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.064 -1.088 . . . . 10.0 108.064 178.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 51' ' ' CYS . . . . . 0.473 ' SG ' ' HB ' ' C' ' 46' ' ' ILE . 11.5 m -101.41 129.84 47.51 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.205 -0.452 . . . . 10.0 112.116 -178.112 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 62.1 tp -97.99 111.23 23.62 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.256 -1.016 . . . . 10.0 108.256 178.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . 0.5 ' O ' ' HA ' ' C' ' 41' ' ' ARG . 16.9 mt -90.52 127.25 36.18 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 112.534 0.568 . . . . 10.0 112.534 -178.646 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -116.68 84.47 2.14 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 106.895 -1.521 . . . . 10.0 106.895 177.161 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 55' ' ' ILE . . . . . 0.528 HD12 HD11 ' C' ' 24' ' ' ILE . 10.9 mt -84.88 140.12 16.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.54 -0.755 . . . . 10.0 111.747 -177.724 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . 0.488 HD11 ' HG2' ' C' ' 37' ' ' GLU . 23.5 tp -132.94 116.23 16.19 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.29 -0.414 . . . . 10.0 111.522 -179.688 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -100.12 104.67 16.24 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 109.476 -0.564 . . . . 10.0 109.476 178.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 58' ' ' THR . . . . . 0.675 HG22 ' HG3' ' C' ' 37' ' ' GLU . 45.9 p -93.47 165.03 12.96 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 116.012 -0.54 . . . . 10.0 111.27 -179.227 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 59' ' ' ALA . . . . . 0.419 ' HB2' ' HA ' ' C' ' 36' ' ' ILE . . . -68.84 132.81 47.36 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.573 179.598 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -112.16 30.38 7.7 Favored Glycine 0 CA--C 1.517 0.177 0 N-CA-C 111.583 -0.607 . . . . 10.0 111.583 179.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -94.15 20.6 7.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.826 0.346 . . . . 10.0 111.113 -179.348 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 62' ' ' GLU . . . . . 0.501 ' HG3' ' H ' ' C' ' 63' ' ' GLU . 2.8 tp10 62.04 -170.45 0.17 Allowed 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.601 -0.727 . . . . 10.0 111.799 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 63' ' ' GLU . . . . . 0.501 ' H ' ' HG3' ' C' ' 62' ' ' GLU . 1.2 tm-20 75.53 -38.12 0.35 Allowed 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.49 0.716 . . . . 10.0 111.964 179.602 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 64' ' ' TYR . . . . . 0.504 ' O ' ' HB2' ' C' ' 68' ' ' ARG . 77.6 m-85 -74.76 49.29 0.4 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.351 0.5 . . . . 10.0 112.351 -179.677 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.53 -37.04 82.14 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.727 0.299 . . . . 10.0 110.838 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.66 -43.98 44.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.302 0.572 . . . . 10.0 110.401 179.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 67' ' ' MET . . . . . 0.467 ' HB3' ' HB3' ' C' ' 64' ' ' TYR . 21.2 ttt -65.1 -30.48 71.43 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.787 -0.642 . . . . 10.0 110.913 179.431 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 68' ' ' ARG . . . . . 0.65 ' HA ' ' CE1' ' C' ' 71' ' ' TYR . 20.3 ttp180 -66.01 -45.83 80.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.639 -0.71 . . . . 10.0 110.493 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -57.51 -41.76 81.44 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.755 -0.657 . . . . 10.0 111.265 -179.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -55.64 -51.24 67.87 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 113.071 0.767 . . . . 10.0 113.071 -179.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 71' ' ' TYR . . . . . 0.65 ' CE1' ' HA ' ' C' ' 68' ' ' ARG . 10.0 p90 -78.92 -10.96 59.97 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 113.431 0.9 . . . . 10.0 113.431 -178.562 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 72' ' ' MET . . . . . 0.462 ' HE3' ' HG2' ' C' ' 68' ' ' ARG . 37.4 mtt -71.89 -22.9 61.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.082 0.468 . . . . 10.0 110.761 179.679 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 15.8 mtt180 -74.93 -43.3 54.97 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.704 -0.68 . . . . 10.0 111.098 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.68 -28.82 51.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.435 -0.348 . . . . 10.0 111.357 179.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.08 126.6 31.68 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.979 -0.629 . . . . 10.0 113.188 -179.348 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -96.44 -50.86 4.58 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.666 -0.494 . . . . 10.0 109.666 179.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -114.1 129.1 8.57 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 110.922 -0.871 . . . . 10.0 110.922 179.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 78' ' ' PHE . . . . . 0.672 ' HB2' ' HG2' ' C' ' 111' ' ' MET . 89.5 m-85 -107.92 116.59 32.24 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.354 0.597 . . . . 10.0 111.976 -178.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . 0.661 HD13 HD22 ' C' ' 159' ' ' LEU . 14.6 tp -88.19 96.81 10.69 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.219 -0.9 . . . . 10.0 109.582 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 80' ' ' CYS . . . . . 0.566 ' HB3' HD12 ' C' ' 93' ' ' ILE . 58.5 m -78.36 96.19 5.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.116 -0.493 . . . . 10.0 109.936 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 51.1 t -103.89 134.58 44.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.095 -0.502 . . . . 10.0 111.191 -179.081 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 27.9 p90 -138.43 167.93 20.85 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.008 179.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 83' ' ' ALA . . . . . 0.463 ' HB3' ' HB3' ' C' ' 86' ' ' ASN . . . -105.01 133.51 49.67 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.187 -0.461 . . . . 10.0 110.193 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 84' ' ' ILE . . . . . 0.443 HD13 ' HA ' ' C' ' 118' ' ' CYS . 36.7 pt -69.8 -16.44 20.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.921 0.391 . . . . 10.0 111.465 -179.727 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -98.47 -0.85 42.65 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.546 179.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 86' ' ' ASN . . . . . 0.463 ' HB3' ' HB3' ' C' ' 83' ' ' ALA . 22.8 t-20 -126.72 99.34 5.73 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.634 -179.758 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 1.5 m -62.12 -30.99 71.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.898 -0.592 . . . . 10.0 111.719 -178.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -57.99 -47.73 82.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.368 -0.378 . . . . 10.0 111.227 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . 0.439 ' HA ' ' HB2' ' C' ' 92' ' ' ASP . 62.3 p -61.81 -31.03 71.23 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.262 0.467 . . . . 10.0 112.262 -179.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -67.74 -43.02 80.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.214 0.531 . . . . 10.0 110.435 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -80.2 -23.31 41.05 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.068 -0.515 . . . . 10.0 110.875 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 92' ' ' ASP . . . . . 0.708 ' HA ' ' HD2' ' C' ' 95' ' ' HIS . 0.3 OUTLIER -62.26 -32.03 72.69 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.416 -0.811 . . . . 10.0 110.538 179.671 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 93' ' ' ILE . . . . . 0.566 HD12 ' HB3' ' C' ' 80' ' ' CYS . 49.9 mm -56.87 -38.44 59.15 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-N 115.629 -0.714 . . . . 10.0 111.711 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -60.96 -42.39 98.2 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.31 -0.404 . . . . 10.0 110.473 -179.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 95' ' ' HIS . . . . . 0.708 ' HD2' ' HA ' ' C' ' 92' ' ' ASP . 91.6 m-70 -62.66 -39.97 95.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.553 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -69.42 -44.11 72.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.991 -0.549 . . . . 10.0 111.309 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -56.7 -46.7 81.07 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.49 -0.323 . . . . 10.0 111.369 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -61.18 -38.57 86.98 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.984 -0.553 . . . . 10.0 111.685 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 99' ' ' GLN . . . . . 0.415 ' O ' HG23 ' C' ' 103' ' ' VAL . 56.4 tt0 -71.15 -45.06 64.29 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.626 -0.43 . . . . 10.0 110.985 179.332 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 87.4 mt -55.74 -43.53 74.01 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-O 121.094 0.474 . . . . 10.0 109.936 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 3.8 mtmt -62.18 -35.46 78.92 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.357 -0.838 . . . . 10.0 111.063 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 33.1 ttm180 -73.67 -37.81 65.14 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.126 -0.488 . . . . 10.0 111.489 -179.238 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 103' ' ' VAL . . . . . 0.415 HG23 ' O ' ' C' ' 99' ' ' GLN . 60.4 t -72.5 -54.15 17.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 112.246 0.461 . . . . 10.0 112.246 -178.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -80.33 -21.08 42.87 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 116.419 -0.355 . . . . 10.0 111.952 -178.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 21.8 t70 59.69 60.54 2.19 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.687 0.756 . . . . 10.0 110.704 -179.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 23.2 t -156.6 140.44 16.16 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.181 -0.918 . . . . 10.0 109.454 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 107' ' ' GLU . . . . . 0.481 ' OE2' ' HE2' ' B' ' 184' ' ' LYS . 11.8 tp10 -88.02 -39.3 14.77 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.495 0.664 . . . . 10.0 109.488 179.56 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -85.4 90.56 7.97 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.478 -0.783 . . . . 10.0 109.763 179.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 41.2 t -118.09 130.91 24.43 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 116.053 -0.522 . . . . 10.0 110.251 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -66.39 97.14 0.36 Allowed 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.831 2.354 . . . . 10.0 111.417 179.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 111' ' ' MET . . . . . 0.672 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 72.1 mtm -136.29 143.54 44.25 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.959 -0.564 . . . . 10.0 109.993 179.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 112' ' ' VAL . . . . . 0.484 HG13 ' HG2' ' C' ' 140' ' ' PRO . 60.1 t -124.6 141.7 43.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.631 -0.507 . . . . 10.0 109.631 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 113' ' ' LEU . . . . . 0.45 ' O ' ' HA ' ' C' ' 141' ' ' PHE . 18.9 tp -98.79 117.72 33.91 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.214 -0.662 . . . . 10.0 109.214 179.251 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 53.5 t -126.24 129.13 72.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.134 0.493 . . . . 10.0 111.63 -178.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -101.22 136.13 12.55 Favored Glycine 0 N--CA 1.448 -0.51 0 N-CA-C 110.074 -1.211 . . . . 10.0 110.074 178.471 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -109.29 165.42 11.64 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 117.229 0.515 . . . . 10.0 110.986 -179.497 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 117' ' ' LYS . . . . . 0.506 ' HB3' HD12 ' C' ' 120' ' ' LEU . 82.7 mttt 63.1 35.66 12.78 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.726 -0.67 . . . . 10.0 112.643 179.34 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 118' ' ' CYS . . . . . 0.499 ' SG ' ' HB3' ' C' ' 143' ' ' GLU . 1.4 m -72.05 -8.21 53.27 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 112.95 0.722 . . . . 10.0 112.95 -179.671 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -86.72 -14.79 41.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.899 0.38 . . . . 10.0 110.325 179.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 120' ' ' LEU . . . . . 0.506 HD12 ' HB3' ' C' ' 117' ' ' LYS . 53.8 mt -85.93 129.28 54.88 Favored Pre-proline 0 C--O 1.235 0.335 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.175 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 121' ' ' PRO . . . . . 0.502 ' HD3' ' HA ' ' C' ' 120' ' ' LEU . 10.3 Cg_exo -71.59 165.93 30.99 Favored 'Trans proline' 0 C--O 1.235 0.367 0 C-N-CA 122.902 2.401 . . . . 10.0 112.412 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 6.1 m 66.25 77.17 0.29 Allowed 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.68 -0.691 . . . . 10.0 111.085 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 123' ' ' ARG . . . . . 0.472 ' HD2' ' HA ' ' C' ' 126' ' ' ASP . 2.6 ptp180 -106.66 144.13 33.77 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.637 -0.711 . . . . 10.0 111.415 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.56 -37.68 13.68 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.351 -0.386 . . . . 10.0 110.261 179.458 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 25.6 t -96.35 101.61 12.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.057 -0.52 . . . . 10.0 110.482 179.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 126' ' ' ASP . . . . . 0.472 ' HA ' ' HD2' ' C' ' 123' ' ' ARG . 20.0 t70 -78.11 156.17 30.11 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.755 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 3.1 m -55.96 -30.25 61.43 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 112.026 0.38 . . . . 10.0 112.026 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 128' ' ' LYS . . . . . 0.526 ' HD2' ' HA ' ' B' ' 47' ' ' ASP . 37.8 mtmm -57.72 -63.61 1.18 Allowed 'General case' 0 N--CA 1.46 0.072 0 CA-C-O 120.85 0.357 . . . . 10.0 111.422 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -66.42 -30.51 70.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.345 -0.389 . . . . 10.0 112.036 -179.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.49 -49.21 69.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.844 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -72.68 -24.34 61.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.527 -0.306 . . . . 10.0 111.266 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -63.9 -38.79 92.37 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.352 0.596 . . . . 10.0 110.368 178.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 42.5 tp -66.8 -42.63 85.62 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.921 -0.581 . . . . 10.0 109.689 179.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -68.02 -33.18 74.12 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 115.572 -0.74 . . . . 10.0 109.842 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 135' ' ' ARG . . . . . 0.453 HH11 ' HD3' ' C' ' 135' ' ' ARG . 9.3 ttt180 -63.04 -40.03 96.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.504 -0.771 . . . . 10.0 110.097 179.074 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 18.3 m -73.75 -38.77 64.61 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.914 -0.585 . . . . 10.0 111.078 179.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 5.3 m-30 -74.07 -31.18 62.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.174 -0.467 . . . . 10.0 111.839 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 85.97 30.7 22.49 Favored Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 111.13 -0.788 . . . . 10.0 111.13 -179.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 139' ' ' ILE . . . . . 0.537 ' HB ' ' HD2' ' C' ' 140' ' ' PRO . 44.9 pt -120.62 163.23 30.28 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 115.461 -0.37 . . . . 10.0 110.367 -179.446 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 140' ' ' PRO . . . . . 0.537 ' HD2' ' HB ' ' C' ' 139' ' ' ILE . 72.0 Cg_endo -81.35 153.23 18.29 Favored 'Trans proline' 0 CA--C 1.534 0.508 0 C-N-CA 122.292 1.995 . . . . 10.0 112.914 179.679 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 141' ' ' PHE . . . . . 0.45 ' HA ' ' O ' ' C' ' 113' ' ' LEU . 79.9 t80 -130.19 130.7 45.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.009 179.663 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 8.3 mt -130.57 131.95 64.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.548 -0.296 . . . . 10.0 110.839 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 143' ' ' GLU . . . . . 0.499 ' HB3' ' SG ' ' C' ' 118' ' ' CYS . 52.4 mt-10 -96.25 117.44 30.8 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.475 -0.935 . . . . 10.0 108.475 177.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 144' ' ' THR . . . . . 0.589 HG22 ' HA3' ' C' ' 151' ' ' GLY . 81.1 p -125.69 -172.79 2.68 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.885 0.698 . . . . 10.0 112.885 -177.395 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 3.5 t -161.64 122.41 2.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.874 -1.057 . . . . 10.0 108.336 179.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 146' ' ' ALA . . . . . 0.5 ' HB3' ' N7 ' ' C' ' 201' ' ' GSP . . . -73.09 -33.99 65.92 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.29 -0.414 . . . . 10.0 110.766 -178.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 147' ' ' LYS . . . . . 0.439 ' HB2' ' N1 ' ' C' ' 201' ' ' GSP . 32.0 ttpt -63.94 -43.92 94.42 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.42 -0.355 . . . . 10.0 111.432 -179.783 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 18.8 p -87.98 -8.29 55.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.015 0.436 . . . . 10.0 110.308 179.171 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 6.4 ttt-85 64.09 20.49 12.21 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.298 -0.865 . . . . 10.0 111.379 -179.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -82.0 125.0 30.28 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.548 -0.751 . . . . 10.0 111.353 -179.189 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 151' ' ' GLY . . . . . 0.589 ' HA3' HG22 ' C' ' 144' ' ' THR . . . 77.52 0.17 71.98 Favored Glycine 0 CA--C 1.52 0.391 0 N-CA-C 114.773 0.669 . . . . 10.0 114.773 178.223 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 79.0 t -57.0 -45.16 83.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.157 0.503 . . . . 10.0 111.431 -179.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.33 -46.51 69.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.607 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -57.48 -37.79 73.49 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.452 -0.34 . . . . 10.0 111.8 -179.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -57.37 -40.66 78.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.426 . . . . 10.0 111.599 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -87.57 -40.84 13.9 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 111.923 0.342 . . . . 10.0 111.923 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -59.93 -51.31 70.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.495 . . . . 10.0 111.65 -179.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 158' ' ' THR . . . . . 0.701 ' HA ' ' HE ' ' C' ' 161' ' ' ARG . 24.3 m -68.95 -27.65 65.94 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 112.161 0.43 . . . . 10.0 112.161 -178.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 159' ' ' LEU . . . . . 0.661 HD22 HD13 ' C' ' 79' ' ' LEU . 56.1 tp -64.29 -38.47 91.14 Favored 'General case' 0 C--N 1.333 -0.114 0 N-CA-C 109.262 -0.644 . . . . 10.0 109.262 178.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 48.8 t -67.85 -35.71 73.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.226 -0.897 . . . . 10.0 109.574 178.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 161' ' ' ARG . . . . . 0.701 ' HE ' ' HA ' ' C' ' 158' ' ' THR . 0.0 OUTLIER -64.06 -35.92 82.32 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.745 -0.662 . . . . 10.0 111.286 179.709 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -63.76 -36.15 82.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.651 0.262 . . . . 10.0 110.659 179.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 54.4 mt -65.42 -43.02 94.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.339 -0.391 . . . . 10.0 110.004 179.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 5.5 mtt85 -67.49 -42.48 82.82 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.04 0.448 . . . . 10.0 109.843 178.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 165' ' ' LYS . . . . . 0.454 ' HE2' ' HA ' ' B' ' 135' ' ' ARG . 27.1 ttmt -61.6 -36.68 81.39 Favored 'General case' 0 C--O 1.222 -0.343 0 CA-C-N 115.816 -0.629 . . . . 10.0 109.584 179.026 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 14.8 t-80 -59.81 -45.81 91.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 10.0 109.957 179.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -65.56 -38.29 89.14 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.275 179.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -64.95 -53.04 52.61 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.107 178.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 20.8 mtpt -61.58 -35.94 79.23 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.569 -0.741 . . . . 10.0 111.657 -179.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 62.2 mmm -71.08 -15.11 62.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.311 -0.404 . . . . 10.0 112.041 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 36.0 m -71.12 -20.98 62.26 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.259 0.552 . . . . 10.0 110.055 179.069 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 172' ' ' LYS . . . . . 0.473 ' O ' ' HG2' ' C' ' 175' ' ' LYS . 38.5 mttm -96.78 -39.9 9.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.522 -0.763 . . . . 10.0 110.493 179.432 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 173' ' ' ASP . . . . . . . . . . . . . 22.5 t70 54.08 -101.39 0.12 Allowed 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.883 -0.599 . . . . 10.0 112.574 179.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 174' ' ' GLY . . . . . 0.498 ' HA2' ' NZ ' ' C' ' 178' ' ' LYS . . . -129.67 20.69 5.15 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 121.046 -0.597 . . . . 10.0 112.769 -179.425 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 175' ' ' LYS . . . . . 0.473 ' HG2' ' O ' ' C' ' 172' ' ' LYS . 12.5 ptpt -94.23 152.13 18.93 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.892 0.346 . . . . 10.0 111.912 -179.455 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 176' ' ' LYS . . . . . 0.678 ' HE2' ' C4 ' ' C' ' 212' ' ' PCW . 71.9 mmtt 73.65 -176.13 0.16 Allowed 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.433 -0.803 . . . . 10.0 112.21 179.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 177' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.44 -6.62 52.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.381 -0.372 . . . . 10.0 111.927 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 178' ' ' LYS . . . . . 0.498 ' NZ ' ' HA2' ' C' ' 174' ' ' GLY . 34.0 mttt 69.76 -79.75 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 115.64 -0.709 . . . . 10.0 112.519 179.357 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 179' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -166.99 -53.19 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.707 0.289 . . . . 10.0 111.114 -179.518 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 180' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -68.42 156.78 37.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.168 0.508 . . . . 10.0 112.216 -179.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 14.5 m -139.92 -157.17 0.74 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.622 -0.717 . . . . 10.0 110.135 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 182' ' ' LYS . . . . . 0.728 ' HE2' ' HE3' ' B' ' 176' ' ' LYS . 20.5 ttmm -161.82 94.96 0.96 Allowed 'General case' 0 CA--C 1.529 0.149 0 CA-C-O 120.717 0.294 . . . . 10.0 110.501 179.154 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 54.0 m -154.4 136.04 14.35 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.047 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 184' ' ' LYS . . . . . 0.489 ' H ' ' C3 ' ' B' ' 209' ' ' 17F . 21.7 ptmt . . . . . 0 C--N 1.324 -0.53 0 CA-C-O 120.859 0.361 . . . . 10.0 111.254 179.48 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 401' ' ' PCW . . . . . 1.091 H322 H382 ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 402' ' ' PCW . . . . . 0.963 H451 ' H51' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 403' ' ' PCW . . . . . 1.119 ' H31' ' H41' ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 404' ' ' PCW . . . . . 1.147 H182 H221 ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 405' ' ' PCW . . . . . 0.952 H361 H441 ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 406' ' ' PCW . . . . . 1.076 ' H20' ' H31' ' B' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 407' ' ' PCW . . . . . 1.121 H212 ' C17' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 408' ' ' PCW . . . . . 0.955 H152 H232 ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 409' ' ' PCW . . . . . 1.205 ' C19' H142 ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 410' ' ' PCW . . . . . 1.023 H371 ' H63' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 411' ' ' PCW . . . . . 0.97 H272 ' H39' ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 412' ' ' PCW . . . . . 1.04 H483 H271 ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 413' ' ' PCW . . . . . 0.97 ' H39' H272 ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 414' ' ' PCW . . . . . 1.12 H351 ' O2 ' ' A' ' 414' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 415' ' ' 17F . . . . . 1.068 ' H33' H132 ' A' ' 414' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 416' ' ' 17F . . . . . 0.978 ' H65' H272 ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 417' ' ' PCW . . . . . 0.927 ' H19' ' C43' ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 418' ' ' PCW . . . . . 0.975 H331 H132 ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 419' ' ' PCW . . . . . 0.989 ' C40' H441 ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 420' ' ' PCW . . . . . 0.958 H372 ' C43' ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 421' ' ' PCW . . . . . 1.081 H372 ' C14' ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 422' ' ' 17F . . . . . 1.14 ' H4A' ' C13' ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 601' ' ' PCW . . . . . 0.972 H421 H461 ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 602' ' ' PCW . . . . . 1.013 H172 H212 ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 603' ' ' PCW . . . . . 1.083 H412 H371 ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 604' ' ' PCW . . . . . 0.977 H461 H282 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 605' ' ' PCW . . . . . 1.052 H182 H362 ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 606' ' ' PCW . . . . . 1.118 H422 ' H31' ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 607' ' ' PCW . . . . . 0.91 ' H31' H372 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 608' ' ' PCW . . . . . 1.07 ' H19' H151 ' D' ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 609' ' ' PCW . . . . . 1.118 ' H31' H422 ' D' ' 606' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 610' ' ' PCW . . . . . 0.987 ' H63' ' H6A' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 611' ' ' PCW . . . . . 1.028 H142 H261 ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 612' ' ' PCW . . . . . 1.083 ' H63' ' C32' ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 613' ' ' PCW . . . . . 1.019 H212 H172 ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 614' ' ' PCW . . . . . 1.084 H482 H211 ' D' ' 620' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 615' ' ' PCW . . . . . 0.975 H461 H421 ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 616' ' ' PCW . . . . . 0.965 ' H51' ' C3 ' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 617' ' ' PCW . . . . . 1.105 H281 H283 ' D' ' 619' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 618' ' ' PCW . . . . . 1.081 ' C14' H372 ' A' ' 421' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 619' ' ' PCW . . . . . 1.105 H283 H281 ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 620' ' ' PCW . . . . . 1.084 H211 H482 ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 621' ' ' PCW . . . . . 1.072 H152 ' H18' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 622' ' ' PCW . . . . . 1.14 ' C13' ' H4A' ' A' ' 422' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 623' ' ' PCW . . . . . 1.083 ' C32' ' H63' ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 624' ' ' PCW . . . . . 1.088 H261 H242 ' C' ' 217' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 625' ' ' PCW . . . . . 1.066 H261 H421 ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 626' ' ' PCW . . . . . 0.977 H282 H461 ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 627' ' ' PCW . . . . . 1.125 ' H41' ' H2 ' ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 628' ' ' 17F . . . . . 1.044 ' H57' H19A ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 629' ' ' 17F . . . . . 0.981 ' H76' H252 ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 630' ' ' 17F . . . . . 0.98 ' H57' H162 ' A' ' 421' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 631' ' ' 17F . . . . . 0.987 ' H6A' ' H63' ' D' ' 610' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 632' ' ' 17F . . . . . 1.075 ' H75' H412 ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 201' ' ' GSP . . . . . 0.644 ' H8 ' ' HA2' ' B' ' 15' ' ' GLY . . . . . . . . 0 O4'--C1' 1.433 1.596 2 C1'-O4'-C4' 100.986 -9.571 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 202' ' ' ' MG' . . . . . 0.627 'MG ' ' O3G' ' B' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 203' ' ' PCW . . . . . 1.061 H211 ' H19' ' B' ' 209' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 204' ' ' PCW . . . . . 0.978 H272 ' H65' ' A' ' 416' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 205' ' ' PCW . . . . . 1.054 H152 ' H39' ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 206' ' ' PCW . . . . . 1.084 H272 ' H19' ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 207' ' ' PCW . . . . . 1.091 H382 H322 ' A' ' 401' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 208' ' ' PCW . . . . . 1.072 ' H40' H283 ' C' ' 216' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 209' ' ' 17F . . . . . 1.061 ' H19' H211 ' B' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 210' ' ' 17F . . . . . 0.976 ' H1A' H371 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 211' ' ' 17F . . . . . 1.076 ' H31' ' H20' ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 201' ' ' GSP . . . . . 0.978 H5'2 ' CE1' ' C' ' 32' ' ' TYR . . . . . . . . 0 O4'--C1' 1.436 1.821 2 O4'-C1'-N19 112.926 4.726 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 202' ' ' ' MG' . . . . . 0.631 'MG ' ' O3G' ' C' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 203' ' ' PCW . . . . . 1.054 H132 H171 ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 204' ' ' PCW . . . . . 1.04 H271 H483 ' A' ' 412' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 205' ' ' PCW . . . . . 1.084 ' H19' H272 ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 206' ' ' PCW . . . . . 1.118 H242 H431 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 207' ' ' PCW . . . . . 1.18 ' C28' H231 ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 208' ' ' PCW . . . . . 1.118 H431 H242 ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 209' ' ' PCW . . . . . 1.033 H122 H242 ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 210' ' ' PCW . . . . . 1.007 H371 H121 ' C' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 211' ' ' PCW . . . . . 1.001 ' H62' ' H2 ' ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 212' ' ' PCW . . . . . 1.077 H261 H421 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 213' ' ' 17F . . . . . 1.028 H20A H161 ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 214' ' ' 17F . . . . . 1.005 ' H19' ' H73' ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 215' ' ' 17F . . . . . 0.987 ' H64' H152 ' C' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 216' ' ' PCW . . . . . 1.117 H372 H142 ' C' ' 216' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 217' ' ' PCW . . . . . 1.141 H141 ' C1Z' ' C' ' 219' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 218' ' ' 17F . . . . . 1.103 H18A ' O7 ' ' C' ' 218' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 219' ' ' 17F . . . . . 1.141 ' C1Z' H141 ' C' ' 217' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 50.5 mt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 121.024 0.44 . . . . 10.0 110.189 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 14.9 tttm -59.98 -45.05 93.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.803 -0.635 . . . . 10.0 111.414 -179.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 91.1 mt -64.88 -33.86 77.02 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.93 0.395 . . . . 10.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 79.4 mt -74.76 -37.46 62.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.978 -0.555 . . . . 10.0 110.623 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -64.92 -49.89 68.63 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.696 -0.684 . . . . 10.0 110.542 179.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 206' ' ' ASN . . . . . 0.469 HD21 HD21 ' D' ' 569' ' ' LEU . 15.3 m120 -68.79 -21.94 64.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.933 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 70.7 t90 -71.4 -29.74 65.29 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.146 179.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -63.41 -37.03 85.72 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.467 -0.568 . . . . 10.0 109.467 179.043 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.11 -36.86 75.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.662 -0.699 . . . . 10.0 110.032 179.308 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 210' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 206' ' ' ASN . 50.2 t -66.49 -42.73 90.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 108.988 -0.745 . . . . 10.0 108.988 178.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 38.2 m -59.99 -46.86 88.07 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.182 -0.917 . . . . 10.0 111.271 179.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.58 -35.69 81.81 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.093 0.473 . . . . 10.0 110.05 179.464 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 61.3 m -62.71 -47.42 83.68 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 109.29 -0.633 . . . . 10.0 109.29 178.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 214' ' ' PHE . . . . . 0.409 ' HA ' HD12 ' A' ' 217' ' ' LEU . 5.2 m-85 -65.4 -35.9 82.35 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.997 -0.547 . . . . 10.0 111.016 179.147 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 49.0 m -59.57 -53.58 56.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.558 179.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 71.0 mttt -67.93 -28.63 67.65 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.684 0.278 . . . . 10.0 111.002 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 217' ' ' LEU . . . . . 0.622 HD21 H252 ' A' ' 405' ' ' PCW . 16.9 mt -64.94 -42.8 94.32 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.748 -0.834 . . . . 10.0 108.748 177.654 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 218' ' ' ARG . . . . . 0.581 ' HA ' HD12 ' A' ' 221' ' ' LEU . 48.3 mtt180 -68.93 -30.8 69.33 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.628 -0.715 . . . . 10.0 110.02 178.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -65.92 -48.02 72.79 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.741 -0.837 . . . . 10.0 108.741 177.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -68.73 -28.76 67.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.274 -0.875 . . . . 10.0 110.917 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 221' ' ' LEU . . . . . 0.581 HD12 ' HA ' ' A' ' 218' ' ' ARG . 13.3 mt -54.84 -33.62 61.91 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.315 -0.402 . . . . 10.0 111.141 179.409 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -56.75 -69.86 1.15 Allowed Glycine 0 CA--C 1.521 0.453 0 N-CA-C 111.567 -0.613 . . . . 10.0 111.567 178.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -53.61 -39.31 83.39 Favored 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 122.65 2.233 . . . . 10.0 111.585 178.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 224' ' ' VAL . . . . . 0.477 ' O ' ' HB2' ' A' ' 228' ' ' PHE . 49.5 t -59.39 -51.2 75.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.432 -0.349 . . . . 10.0 111.064 179.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 7.9 p -64.54 -38.31 90.56 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.85 -0.34 . . . . 10.0 110.4 179.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -61.47 -50.74 71.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.925 179.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 73.9 mt-10 -67.42 -44.14 79.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.511 -0.313 . . . . 10.0 111.229 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 228' ' ' PHE . . . . . 0.477 ' HB2' ' O ' ' A' ' 224' ' ' VAL . 0.3 OUTLIER -59.31 -50.56 73.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.435 179.798 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -64.43 -37.82 88.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.385 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -61.09 -46.75 89.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.057 179.304 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 231' ' ' ASN . . . . . 0.681 ' HA ' ' HD2' ' A' ' 234' ' ' LYS . 86.8 m-20 -70.48 -37.13 74.19 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.009 -0.542 . . . . 10.0 110.247 179.196 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 232' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 228' ' ' PHE . 51.5 mt -63.45 -35.43 80.42 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.253 -0.647 . . . . 10.0 109.253 178.506 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 233' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' A' ' 237' ' ' GLU . 41.6 mm-40 -65.68 -41.68 92.17 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 109.649 -0.5 . . . . 10.0 109.649 178.719 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 234' ' ' LYS . . . . . 0.681 ' HD2' ' HA ' ' A' ' 231' ' ' ASN . 63.4 mttt -62.98 -39.98 96.35 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.136 -0.69 . . . . 10.0 109.136 178.366 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.64 -52.16 58.82 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.277 -0.874 . . . . 10.0 110.13 179.171 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 1.7 p -65.48 -30.58 71.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 10.0 112.009 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 237' ' ' GLU . . . . . 0.419 ' HB2' ' O ' ' A' ' 233' ' ' GLU . 2.5 tt0 -67.79 -44.46 77.32 Favored 'General case' 0 CA--C 1.517 -0.305 0 N-CA-C 108.438 -0.949 . . . . 10.0 108.438 178.358 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -61.64 -42.78 99.81 Favored Glycine 0 N--CA 1.445 -0.751 0 N-CA-C 109.838 -1.305 . . . . 10.0 109.838 177.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 239' ' ' LEU . . . . . 1.01 HD13 H441 ' A' ' 408' ' ' PCW . 79.5 mt -63.59 -33.48 75.69 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.967 0.413 . . . . 10.0 110.387 178.755 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 15.7 mtt180 -72.2 -39.68 68.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.318 -0.401 . . . . 10.0 109.948 178.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -67.34 -38.67 85.21 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.292 -1.003 . . . . 10.0 108.292 177.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 242' ' ' GLU . . . . . 0.487 ' OE1' ' HB3' ' D' ' 528' ' ' ARG . 11.0 mt-10 -65.3 -33.87 76.99 Favored 'General case' 0 C--O 1.218 -0.584 0 CA-C-N 114.916 -1.038 . . . . 10.0 110.142 178.103 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 243' ' ' MET . . . . . 0.77 ' HG3' HD12 ' A' ' 247' ' ' LEU . 54.7 ttm -57.29 -30.84 65.05 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.052 0.453 . . . . 10.0 110.485 179.212 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 9.2 m -76.78 8.16 3.97 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 115.392 -0.822 . . . . 10.0 111.063 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 245' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -137.65 -56.77 0.68 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.008 -0.542 . . . . 10.0 109.707 179.15 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 246' ' ' ASP . . . . . 0.557 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 22.9 t70 -57.04 -56.85 16.39 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.59 -0.732 . . . . 10.0 110.902 -179.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 247' ' ' LEU . . . . . 0.77 HD12 ' HG3' ' A' ' 243' ' ' MET . 16.1 mt -78.38 -33.18 49.03 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.239 -0.437 . . . . 10.0 111.375 179.551 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -61.74 -49.49 76.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.984 0.421 . . . . 10.0 111.001 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 249' ' ' GLU . . . . . 0.546 ' O ' ' HB2' ' A' ' 253' ' ' LYS . 6.5 mt-10 -70.72 -27.84 64.28 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.227 -0.442 . . . . 10.0 112.116 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 250' ' ' VAL . . . . . 0.616 HG21 H252 ' A' ' 412' ' ' PCW . 0.9 OUTLIER -78.06 -18.46 13.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.202 0.525 . . . . 10.0 110.289 179.058 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . 0.417 ' O ' HG12 ' A' ' 254' ' ' VAL . 35.9 ttpt -97.0 -36.42 10.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.74 -0.664 . . . . 10.0 109.903 179.163 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -74.87 -41.19 60.27 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.317 -0.402 . . . . 10.0 110.647 179.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 253' ' ' LYS . . . . . 0.546 ' HB2' ' O ' ' A' ' 249' ' ' GLU . 45.3 mttt -82.69 -10.06 59.09 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.995 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 254' ' ' VAL . . . . . 0.559 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.4 OUTLIER -62.66 -29.67 47.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 C-N-CA 120.796 -0.362 . . . . 10.0 110.38 179.673 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 255' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -63.99 -63.97 3.33 Favored Pre-proline 0 N--CA 1.453 -0.309 0 CA-C-N 116.274 -0.421 . . . . 10.0 111.371 178.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_endo -62.1 -36.04 72.3 Favored 'Trans proline' 0 C--N 1.356 0.943 0 C-N-CA 121.874 1.716 . . . . 10.0 112.284 179.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 4.3 m-30 -64.61 -53.0 54.57 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.86 0.362 . . . . 10.0 110.495 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 258' ' ' LEU . . . . . 0.455 HD23 ' HA ' ' A' ' 258' ' ' LEU . 14.3 mt -69.28 -32.78 72.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.444 -0.343 . . . . 10.0 110.609 179.493 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 259' ' ' ASP . . . . . 0.485 ' O ' ' HB2' ' A' ' 263' ' ' LYS . 16.3 t70 -60.64 -45.82 92.63 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.319 -0.623 . . . . 10.0 109.319 178.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -63.69 -48.93 75.15 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.564 -0.744 . . . . 10.0 110.643 179.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -60.99 -50.31 73.89 Favored 'General case' 0 N--CA 1.457 -0.092 0 CA-C-N 115.933 -0.576 . . . . 10.0 111.285 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -64.52 -38.73 92.05 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 116.635 -0.257 . . . . 10.0 111.096 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 263' ' ' LYS . . . . . 0.485 ' HB2' ' O ' ' A' ' 259' ' ' ASP . 31.9 ttmt -58.64 -54.4 47.49 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.797 -0.446 . . . . 10.0 109.797 179.595 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 264' ' ' LYS . . . . . 0.541 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 73.7 mttt -64.1 -36.57 84.47 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.666 -0.697 . . . . 10.0 110.161 179.302 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -63.83 -38.77 92.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.326 -0.397 . . . . 10.0 110.299 178.675 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -61.79 -45.39 94.09 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.936 -0.764 . . . . 10.0 108.936 178.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -65.07 -43.85 90.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.162 -0.926 . . . . 10.0 109.507 178.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 268' ' ' GLU . . . . . 0.458 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 30.9 mt-10 -60.17 -44.7 94.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.708 -0.678 . . . . 10.0 111.078 179.533 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 70.8 mmm -65.52 -41.75 92.78 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.336 179.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -61.43 -48.36 81.55 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 116.008 -0.542 . . . . 10.0 109.594 178.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 85.4 mt -59.64 -41.49 90.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.848 -0.615 . . . . 10.0 110.063 179.095 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 272' ' ' TYR . . . . . 0.409 ' HD1' ' HA ' ' A' ' 272' ' ' TYR . 1.5 m-30 -60.93 -44.94 96.51 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.607 179.299 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 273' ' ' ARG . . . . . 0.509 ' HA ' HG12 ' A' ' 276' ' ' VAL . 78.1 mtt180 -68.57 -42.95 77.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.979 0.419 . . . . 10.0 111.001 179.297 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -65.48 -16.82 64.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.818 -0.628 . . . . 10.0 111.769 -179.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 275' ' ' LYS . . . . . 0.691 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 8.3 mptt -104.25 -48.05 3.96 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.576 -0.284 . . . . 10.0 110.809 179.115 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 276' ' ' VAL . . . . . 0.528 ' O ' ' HB2' ' A' ' 280' ' ' ARG . 2.5 p -53.38 -31.42 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 112.851 0.685 . . . . 10.0 112.851 -178.534 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -69.57 -63.34 2.01 Favored Pre-proline 0 CA--C 1.536 0.432 0 N-CA-C 112.151 0.426 . . . . 10.0 112.151 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_endo -60.21 -35.82 90.56 Favored 'Trans proline' 0 C--N 1.356 0.94 0 C-N-CA 121.476 1.45 . . . . 10.0 111.339 178.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 279' ' ' LEU . . . . . 0.691 ' HG ' ' O ' ' A' ' 275' ' ' LYS . 34.1 mt -67.0 -37.89 85.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.463 -0.335 . . . . 10.0 110.269 179.361 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 280' ' ' ARG . . . . . 0.528 ' HB2' ' O ' ' A' ' 276' ' ' VAL . 11.3 ttt180 -66.4 -34.37 77.81 Favored 'General case' 0 C--O 1.223 -0.31 0 N-CA-C 109.426 -0.583 . . . . 10.0 109.426 179.002 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -63.81 -43.18 97.03 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 109.167 -0.679 . . . . 10.0 109.167 178.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -65.09 -49.3 70.55 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.93 -0.577 . . . . 10.0 109.545 178.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 283' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 279' ' ' LEU . 85.3 mt -61.35 -33.3 73.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.597 -0.729 . . . . 10.0 111.018 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 284' ' ' GLN . . . . . 0.45 ' HB2' ' O ' ' A' ' 280' ' ' ARG . 15.2 tt0 -70.59 -45.21 65.78 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.408 -0.59 . . . . 10.0 109.408 178.635 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -62.74 -45.14 94.12 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.153 -0.684 . . . . 10.0 109.153 178.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -61.08 -45.49 96.48 Favored Glycine 0 N--CA 1.442 -0.927 0 N-CA-C 110.521 -1.032 . . . . 10.0 110.521 178.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -58.14 -44.8 88.04 Favored 'General case' 0 C--O 1.221 -0.429 0 N-CA-C 110.219 -0.289 . . . . 10.0 110.219 178.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 60.3 mtt180 -60.76 -49.6 76.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.853 0.358 . . . . 10.0 110.368 178.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -60.43 -41.53 94.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.898 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 69.6 mttt -71.41 -39.98 70.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.721 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 28.7 mt -64.11 -42.33 96.92 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.285 179.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -61.03 -40.41 93.49 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 109.79 -0.448 . . . . 10.0 109.79 178.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -62.04 -41.99 98.7 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.199 -0.667 . . . . 10.0 109.199 178.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 95.7 mt -67.37 -39.88 85.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.47 -0.786 . . . . 10.0 110.651 179.291 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -62.45 -40.38 96.43 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.142 0.496 . . . . 10.0 109.952 179.147 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -60.3 -28.51 68.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.676 -0.693 . . . . 10.0 110.386 179.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . 0.517 ' HB3' HD12 ' A' ' 301' ' ' LEU . 15.2 mmtp -104.88 13.98 30.27 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.182 -0.463 . . . . 10.0 111.161 -179.784 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 298' ' ' LEU . . . . . . . . . . . . . 15.6 mt -110.97 -39.92 4.66 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-N 116.154 -0.476 . . . . 10.0 111.034 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 299' ' ' SER . . . . . 0.539 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 2.5 m -72.31 -68.11 0.45 Allowed Pre-proline 0 CA--C 1.544 0.725 0 N-CA-C 112.77 0.656 . . . . 10.0 112.77 -179.646 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 300' ' ' PRO . . . . . 0.539 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 28.4 Cg_endo -63.31 -48.24 6.45 Favored 'Trans proline' 0 C--N 1.354 0.827 0 C-N-CA 121.866 1.71 . . . . 10.0 112.135 -179.477 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 301' ' ' LEU . . . . . 0.517 HD12 ' HB3' ' A' ' 297' ' ' LYS . 31.4 mt -65.66 -32.6 74.26 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 116.193 -0.458 . . . . 10.0 110.753 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 302' ' ' GLY . . . . . . . . . . . . . . . -67.58 -48.02 58.99 Favored Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 110.564 -1.014 . . . . 10.0 110.564 178.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -62.47 -38.41 89.71 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.322 -0.621 . . . . 10.0 109.322 178.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -65.74 -36.67 84.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.78 -0.645 . . . . 10.0 109.849 178.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 5.9 tpt -68.05 -40.32 82.85 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 116.018 -0.537 . . . . 10.0 109.794 179.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 306' ' ' ARG . . . . . 0.462 ' O ' ' HG3' ' A' ' 310' ' ' ARG . 81.0 mtt180 -70.6 -39.7 73.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.914 -0.585 . . . . 10.0 110.562 178.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 307' ' ' ASP . . . . . 0.492 ' HA ' ' HD2' ' A' ' 310' ' ' ARG . 37.9 t70 -64.36 -42.11 96.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.177 0.513 . . . . 10.0 109.805 178.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 308' ' ' ARG . . . . . 0.491 ' HA ' ' HD3' ' A' ' 308' ' ' ARG . 11.7 mmt180 -69.8 -29.14 66.37 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.968 -0.56 . . . . 10.0 109.551 178.116 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -67.21 -37.58 83.87 Favored 'General case' 0 CA--C 1.52 -0.204 0 N-CA-C 108.333 -0.988 . . . . 10.0 108.333 177.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 310' ' ' ARG . . . . . 0.492 ' HD2' ' HA ' ' A' ' 307' ' ' ASP . 80.2 mtt180 -59.88 -45.34 92.8 Favored 'General case' 0 C--O 1.22 -0.47 0 N-CA-C 108.707 -0.849 . . . . 10.0 108.707 177.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -66.37 -43.68 85.29 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.802 -0.635 . . . . 10.0 109.897 178.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 312' ' ' HIS . . . . . 0.485 ' HE1' ' HB2' ' D' ' 465' ' ' GLU . 2.0 m-70 -55.48 -50.88 68.72 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.137 179.127 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 85.5 t -72.99 -35.45 48.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.156 -0.929 . . . . 10.0 111.457 -179.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -62.06 -49.34 76.36 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 109.977 -0.379 . . . . 10.0 109.977 179.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -61.84 -33.66 74.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.912 -0.585 . . . . 10.0 109.432 179.088 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 9.5 mt -68.66 -45.12 72.6 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.615 -0.72 . . . . 10.0 109.357 178.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 14.4 mtm105 -61.44 -46.19 91.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.424 . . . . 10.0 110.941 179.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 5.3 m -63.39 -22.43 66.87 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.623 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 14.0 m80 -93.47 -41.08 9.99 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.861 0.362 . . . . 10.0 110.392 178.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . 0.495 ' HA ' ' HB2' ' A' ' 323' ' ' TYR . 61.5 mt -68.78 -28.27 66.63 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.101 -0.5 . . . . 10.0 112.234 -179.527 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 321' ' ' ALA . . . . . 0.404 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -57.24 -60.01 10.99 Favored Pre-proline 0 CA--C 1.539 0.535 0 N-CA-C 111.383 0.142 . . . . 10.0 111.383 179.47 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . 0.404 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 37.3 Cg_endo -68.3 -29.69 31.67 Favored 'Trans proline' 0 C--N 1.357 0.998 0 C-N-CA 121.6 1.533 . . . . 10.0 110.552 178.429 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 323' ' ' TYR . . . . . 0.495 ' HB2' ' HA ' ' A' ' 320' ' ' LEU . 6.3 m-30 -61.89 -51.48 68.02 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.592 179.002 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 324' ' ' SER . . . . . 0.427 ' O ' ' HG3' ' A' ' 328' ' ' ARG . 5.1 p -62.17 -34.45 76.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.729 0.3 . . . . 10.0 110.477 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 325' ' ' ASP . . . . . 0.408 ' O ' ' HG3' ' A' ' 329' ' ' GLN . 15.1 t70 -61.84 -49.94 74.25 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.829 -0.623 . . . . 10.0 109.412 178.41 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -65.11 -39.52 93.25 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 115.614 -0.721 . . . . 10.0 109.501 178.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 323' ' ' TYR . 75.6 mt -58.54 -37.91 76.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.454 179.124 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 328' ' ' ARG . . . . . 0.427 ' HG3' ' O ' ' A' ' 324' ' ' SER . 66.5 mtt85 -62.98 -42.31 99.8 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.531 -0.544 . . . . 10.0 109.531 178.376 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 329' ' ' GLN . . . . . 0.408 ' HG3' ' O ' ' A' ' 325' ' ' ASP . 44.1 mt-30 -68.25 -41.83 80.57 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.486 -0.561 . . . . 10.0 109.486 178.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 330' ' ' ARG . . . . . 0.524 ' O ' ' HG2' ' A' ' 334' ' ' ARG . 3.8 mtt-85 -61.33 -51.0 70.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.458 -0.792 . . . . 10.0 110.128 179.374 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 91.0 mt -58.2 -46.2 86.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.058 179.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -58.59 -48.5 80.74 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-N 115.956 -0.565 . . . . 10.0 109.817 178.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -59.53 -46.64 88.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.394 -0.366 . . . . 10.0 111.259 179.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 334' ' ' ARG . . . . . 0.524 ' HG2' ' O ' ' A' ' 330' ' ' ARG . 8.4 mmt180 -62.28 -47.07 85.95 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.272 -0.422 . . . . 10.0 109.934 179.791 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 77.3 mt -64.46 -44.57 90.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.901 -0.59 . . . . 10.0 111.985 -179.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -64.3 -39.97 94.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.915 0.388 . . . . 10.0 110.803 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -64.39 -44.42 91.36 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.157 -0.683 . . . . 10.0 109.157 178.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 68.1 mt -71.7 -15.88 62.22 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 115.826 -0.625 . . . . 10.0 111.045 179.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 71.2 tttt -74.85 -44.67 47.83 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.702 -0.851 . . . . 10.0 108.702 178.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -73.99 -48.11 32.56 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.956 -0.757 . . . . 10.0 108.956 178.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 341' ' ' ASN . . . . . 0.592 ' O ' ' HG3' ' A' ' 345' ' ' ARG . 25.7 t-20 -60.88 -49.8 76.01 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.501 -0.772 . . . . 10.0 110.387 179.254 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -62.68 -35.76 92.34 Favored Glycine 0 N--CA 1.444 -0.781 0 CA-C-N 115.732 -0.667 . . . . 10.0 111.512 179.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -64.43 -43.71 96.33 Favored Glycine 0 N--CA 1.45 -0.37 0 N-CA-C 110.891 -0.883 . . . . 10.0 110.891 178.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -64.07 -41.86 97.19 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 109.508 -0.553 . . . . 10.0 109.508 178.518 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 345' ' ' ARG . . . . . 0.592 ' HG3' ' O ' ' A' ' 341' ' ' ASN . 32.3 mtm180 -63.09 -40.07 96.57 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 115.801 -0.636 . . . . 10.0 110.274 178.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 62.4 mt -66.59 -48.01 70.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.317 179.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.13 -38.87 80.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.044 0.45 . . . . 10.0 110.017 179.141 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 348' ' ' GLU . . . . . 0.597 ' HB3' ' HE2' ' A' ' 352' ' ' LYS . 6.5 mt-10 -70.63 -47.41 60.23 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.385 -0.825 . . . . 10.0 110.16 178.743 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -58.56 -36.92 74.68 Favored 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 116.229 -0.441 . . . . 10.0 111.553 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -62.3 -38.5 89.64 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.085 -0.709 . . . . 10.0 109.085 178.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -71.71 -41.5 68.49 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.049 -0.523 . . . . 10.0 109.658 178.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 352' ' ' LYS . . . . . 0.597 ' HE2' ' HB3' ' A' ' 348' ' ' GLU . 42.8 mttm -60.97 -44.43 97.34 Favored 'General case' 0 C--N 1.338 0.102 0 CA-C-N 116.198 -0.455 . . . . 10.0 110.158 178.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -63.42 -41.52 98.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.628 -0.714 . . . . 10.0 110.293 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 27.6 m -64.82 -47.03 79.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.39 -0.368 . . . . 10.0 110.247 179.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -60.9 -41.64 96.46 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 109.318 -0.623 . . . . 10.0 109.318 178.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -63.25 -35.73 81.33 Favored 'General case' 0 C--O 1.226 -0.173 0 CA-C-N 115.788 -0.642 . . . . 10.0 109.855 178.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 46.2 mt -66.24 -38.79 88.73 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.402 -0.363 . . . . 10.0 110.593 179.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 3.9 m -61.26 -42.66 99.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.09 0.472 . . . . 10.0 110.282 179.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.9 -32.24 57.28 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.33 179.245 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 25.9 tp -66.81 -32.66 74.08 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.374 -0.602 . . . . 10.0 109.374 178.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 51.3 m -64.71 -26.13 68.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.727 -0.67 . . . . 10.0 110.161 178.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 362' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -71.54 -17.43 62.32 Favored 'General case' 0 C--O 1.231 0.118 0 N-CA-C 109.192 -0.67 . . . . 10.0 109.192 178.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 363' ' ' LYS . . . . . 0.895 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 88.2 mttt -98.34 -26.1 14.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.588 -0.733 . . . . 10.0 109.399 178.175 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -78.58 -33.59 47.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.542 -0.754 . . . . 10.0 111.785 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 365' ' ' LYS . . . . . 0.944 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 80.9 mttt -107.69 -72.0 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.449 0 N-CA-C 112.481 0.549 . . . . 10.0 112.481 179.321 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 366' ' ' PRO . . . . . 0.944 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 50.8 Cg_exo -55.9 -60.92 0.41 Allowed 'Trans proline' 0 C--N 1.357 0.985 0 C-N-CA 122.457 2.104 . . . . 10.0 112.899 -179.685 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 367' ' ' ALA . . . . . 0.895 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -59.46 -42.79 92.82 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.446 0.536 . . . . 10.0 112.446 -179.217 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 368' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 368' ' ' LEU . 5.2 mt -66.11 -42.47 89.19 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 120.809 -0.357 . . . . 10.0 111.108 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -63.68 -44.91 92.33 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.848 -0.797 . . . . 10.0 108.848 178.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -59.74 -40.96 89.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.374 -0.83 . . . . 10.0 109.838 179.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 12.4 mt -63.75 -45.81 88.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.656 -0.702 . . . . 10.0 109.922 178.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 84.8 mtt180 -63.21 -42.32 99.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.945 179.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -62.16 -31.21 71.68 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.486 -0.325 . . . . 10.0 110.916 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -86.02 -38.92 8.26 Favored Glycine 0 N--CA 1.442 -0.909 0 C-N-CA 120.465 -0.874 . . . . 10.0 111.367 179.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 375' ' ' LEU . . . . . 0.478 ' O ' ' HG ' ' A' ' 379' ' ' LEU . 39.1 mt -66.45 -36.34 82.54 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 111.957 0.355 . . . . 10.0 111.957 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 376' ' ' LEU . . . . . 0.612 ' O ' ' HG3' ' A' ' 380' ' ' GLU . 37.9 mt -50.1 -65.54 0.84 Allowed Pre-proline 0 CA--C 1.538 0.511 0 N-CA-C 112.607 0.595 . . . . 10.0 112.607 -179.588 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -64.98 -26.94 58.29 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 121.698 1.599 . . . . 10.0 111.448 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 378' ' ' VAL . . . . . . . . . . . . . 2.9 t -65.94 -43.3 92.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 121.039 0.447 . . . . 10.0 109.892 179.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 379' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 375' ' ' LEU . 97.2 mt -67.68 -35.55 79.05 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.377 -0.601 . . . . 10.0 109.377 178.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 380' ' ' GLU . . . . . 0.612 ' HG3' ' O ' ' A' ' 376' ' ' LEU . 35.4 mt-10 -66.76 -45.73 77.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.897 -0.592 . . . . 10.0 110.643 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 1.5 p -65.9 -32.19 73.56 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 109.228 -0.656 . . . . 10.0 109.228 178.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 1.4 m-30 -65.52 -43.45 90.01 Favored 'General case' 0 CA--C 1.517 -0.318 0 N-CA-C 108.952 -0.758 . . . . 10.0 108.952 177.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 383' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' A' ' 379' ' ' LEU . 96.5 mttt -55.19 -47.75 74.8 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.247 178.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 384' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 380' ' ' GLU . 48.9 t -59.05 -40.58 81.09 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-N 115.888 -0.597 . . . . 10.0 110.138 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 11.5 m -69.13 -42.25 76.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.555 -0.748 . . . . 10.0 110.436 179.272 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -66.78 -43.36 84.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.521 -0.308 . . . . 10.0 111.117 179.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 387' ' ' LEU . . . . . 0.512 ' O ' ' HG3' ' A' ' 391' ' ' GLU . 61.8 mt -57.28 -53.65 55.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.436 . . . . 10.0 111.281 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 388' ' ' SER . . . . . 0.457 ' HB2' ' HE2' ' D' ' 594' ' ' LYS . 3.8 p -63.03 -38.88 92.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.11 -0.495 . . . . 10.0 111.156 -179.74 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -62.42 -41.15 98.49 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.736 0.303 . . . . 10.0 110.98 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 77.1 mt -65.15 -39.84 93.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 10.0 109.871 179.11 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 391' ' ' GLU . . . . . 0.512 ' HG3' ' O ' ' A' ' 387' ' ' LEU . 71.8 mt-10 -66.08 -36.85 84.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.036 179.188 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 392' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' A' ' 388' ' ' SER . 38.8 mm-40 -59.76 -42.0 92.29 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.42 179.064 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -62.2 -47.66 83.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.838 -0.619 . . . . 10.0 110.675 179.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 3.5 m -62.36 -39.64 93.8 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.253 -0.43 . . . . 10.0 111.747 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -72.03 -26.98 62.42 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 113.525 0.935 . . . . 10.0 113.525 -178.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 396' ' ' LYS . . . . . 0.592 ' HG2' ' HB2' ' D' ' 587' ' ' ALA . 13.7 mptt -102.61 -41.9 6.1 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 113.763 1.023 . . . . 10.0 113.763 -178.506 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 87.0 mt -77.52 -36.85 52.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.816 0.341 . . . . 10.0 110.901 -179.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 47.8 t30 . . . . . 0 C--N 1.323 -0.557 0 CA-C-N 116.176 -0.466 . . . . 10.0 110.93 -179.833 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 2.9 mm? . . . . . 0 N--CA 1.463 0.184 0 CA-C-O 121.156 0.503 . . . . 10.0 110.733 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -92.85 17.72 10.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.095 -0.502 . . . . 10.0 111.354 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 77.0 mt -69.97 -35.51 74.51 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.036 0.446 . . . . 10.0 110.032 179.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 67.2 mt -67.36 -35.75 79.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.724 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.57 -45.51 86.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.878 -0.601 . . . . 10.0 109.973 179.555 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 404' ' ' ASN . . . . . 0.421 ' O ' HG23 ' D' ' 408' ' ' VAL . 27.1 t-20 -68.87 -40.91 79.02 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.958 -0.565 . . . . 10.0 110.087 178.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 6.7 m95 -58.86 -36.5 74.7 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.857 -0.61 . . . . 10.0 110.57 179.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -58.76 -52.23 66.61 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.436 -0.579 . . . . 10.0 109.436 178.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.85 -36.5 76.99 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.542 -0.754 . . . . 10.0 110.62 178.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 408' ' ' VAL . . . . . 0.421 HG23 ' O ' ' D' ' 404' ' ' ASN . 79.6 t -67.55 -37.16 78.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.222 0.535 . . . . 10.0 109.846 178.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 15.8 m -67.8 -41.31 83.34 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.178 -0.675 . . . . 10.0 109.178 178.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 10.5 m -63.9 -44.78 91.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.596 179.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 411' ' ' THR . . . . . 0.434 ' O ' ' HG ' ' D' ' 415' ' ' LEU . 1.1 p -64.02 -32.77 74.44 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.214 0.53 . . . . 10.0 110.344 179.188 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 412' ' ' PHE . . . . . 0.439 ' HD1' HD12 ' D' ' 415' ' ' LEU . 2.1 m-85 -69.61 -39.34 77.29 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.312 -0.625 . . . . 10.0 109.312 177.753 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 27.3 m -68.29 -30.93 70.05 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.621 -0.718 . . . . 10.0 109.324 178.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 414' ' ' LYS . . . . . . . . . . . . . 43.0 mmtt -67.09 -34.91 78.66 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.319 -0.623 . . . . 10.0 109.319 178.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 415' ' ' LEU . . . . . 0.439 HD12 ' HD1' ' D' ' 412' ' ' PHE . 87.5 mt -64.21 -39.4 93.9 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.032 -0.729 . . . . 10.0 109.032 178.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 416' ' ' ARG . . . . . 0.433 ' HA ' HD12 ' D' ' 419' ' ' LEU . 78.1 mtt180 -67.0 -35.34 79.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.632 -0.713 . . . . 10.0 110.665 179.39 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 417' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -64.39 -29.54 70.6 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-O 121.303 0.573 . . . . 10.0 109.584 178.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 418' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -84.16 -46.48 11.86 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.532 -0.758 . . . . 10.0 109.608 179.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 419' ' ' LEU . . . . . 0.433 HD12 ' HA ' ' D' ' 416' ' ' ARG . 59.3 mt -47.8 -42.34 25.73 Favored 'General case' 0 C--O 1.226 -0.16 0 CA-C-N 115.395 -0.821 . . . . 10.0 112.374 -179.35 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -53.4 -76.0 0.2 Allowed Glycine 0 CA--C 1.523 0.548 0 C-N-CA 120.903 -0.665 . . . . 10.0 112.629 179.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 421' ' ' PRO . . . . . 0.492 ' O ' ' HG2' ' D' ' 425' ' ' GLU . 52.6 Cg_exo -57.63 -39.37 88.62 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 122.575 2.183 . . . . 10.0 112.152 179.645 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 19.5 t -58.54 -48.02 86.71 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.114 0 N-CA-C 112.307 0.484 . . . . 10.0 112.307 -179.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 34.2 p -68.61 -37.39 79.74 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.952 -0.299 . . . . 10.0 110.493 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -57.91 -53.3 59.76 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.07 179.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 425' ' ' GLU . . . . . 0.492 ' HG2' ' O ' ' D' ' 421' ' ' PRO . 11.1 pt-20 -71.3 -27.27 63.29 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.165 -0.471 . . . . 10.0 110.777 179.27 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 426' ' ' PHE . . . . . 0.507 ' O ' ' HG ' ' D' ' 430' ' ' LEU . 42.0 t80 -65.17 -46.53 80.47 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.025 -0.732 . . . . 10.0 109.025 178.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 427' ' ' TRP . . . . . . . . . . . . . 12.2 m95 -65.33 -36.97 85.64 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.987 -0.551 . . . . 10.0 109.866 178.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -66.79 -37.63 84.93 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.123 -0.695 . . . . 10.0 109.123 178.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 429' ' ' ASN . . . . . 0.436 ' OD1' ' HG2' ' A' ' 345' ' ' ARG . 4.4 t30 -67.98 -44.04 77.58 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.357 -0.838 . . . . 10.0 108.765 177.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 430' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' D' ' 426' ' ' PHE . 68.4 mt -57.81 -36.53 72.34 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 115.583 -0.735 . . . . 10.0 109.843 178.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 431' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -65.02 -44.81 87.94 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.041 178.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 39.7 mttp -62.83 -44.0 97.31 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.125 -0.694 . . . . 10.0 109.125 178.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 433' ' ' GLU . . . . . 0.492 ' HG2' HD21 ' A' ' 341' ' ' ASN . 29.7 mt-10 -63.02 -55.24 27.34 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.329 -0.85 . . . . 10.0 111.016 179.31 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 434' ' ' THR . . . . . 0.461 ' HB ' ' CZ ' ' D' ' 438' ' ' ARG . 13.6 p -56.8 -51.74 67.79 Favored 'General case' 0 C--O 1.224 -0.28 0 N-CA-C 111.384 0.142 . . . . 10.0 111.384 -179.268 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 435' ' ' GLU . . . . . 0.519 ' O ' ' HG3' ' D' ' 439' ' ' GLN . 53.4 mm-40 -59.2 -45.69 90.41 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 121.08 -0.248 . . . . 10.0 111.333 179.74 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -63.51 -46.23 92.92 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.873 -0.68 . . . . 10.0 111.633 179.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 437' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' D' ' 433' ' ' GLU . 96.6 mt -65.55 -33.55 76.18 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.738 0.304 . . . . 10.0 110.261 179.195 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 438' ' ' ARG . . . . . 0.461 ' CZ ' ' HB ' ' D' ' 434' ' ' THR . 56.1 mtt180 -65.94 -34.04 77.21 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.272 -0.422 . . . . 10.0 110.135 179.201 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 439' ' ' GLN . . . . . 0.519 ' HG3' ' O ' ' D' ' 435' ' ' GLU . 97.3 mt-30 -65.65 -40.95 93.01 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 108.46 -0.941 . . . . 10.0 108.46 178.353 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 440' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -69.12 -43.97 73.36 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.17 -0.923 . . . . 10.0 108.865 178.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 441' ' ' MET . . . . . 0.409 ' HB2' ' HA ' ' D' ' 438' ' ' ARG . 67.0 mmm -57.4 -48.49 78.94 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.192 -0.913 . . . . 10.0 111.954 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 442' ' ' SER . . . . . 0.429 ' O ' ' HG2' ' D' ' 446' ' ' GLU . 3.3 p -62.44 -49.42 75.52 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.629 0.252 . . . . 10.0 110.844 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 443' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -61.38 -36.39 80.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.008 -0.542 . . . . 10.0 111.013 179.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 444' ' ' ASP . . . . . 0.443 ' O ' HG23 ' D' ' 448' ' ' VAL . 4.9 t0 -73.34 -54.23 8.86 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.088 -0.506 . . . . 10.0 110.236 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 79.5 mt -56.07 -46.8 78.86 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.163 0.431 . . . . 10.0 112.163 -179.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 446' ' ' GLU . . . . . 0.429 ' HG2' ' O ' ' D' ' 442' ' ' SER . 6.6 mm-40 -61.76 -35.95 79.61 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.859 0.362 . . . . 10.0 110.647 -179.677 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 447' ' ' GLU . . . . . 0.567 ' O ' ' HB2' ' D' ' 451' ' ' LYS . 9.8 mt-10 -74.88 -35.02 62.29 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.0 -0.546 . . . . 10.0 109.781 178.651 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 448' ' ' VAL . . . . . 0.443 HG23 ' O ' ' D' ' 444' ' ' ASP . 26.6 t -61.31 -42.28 92.97 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.299 0 CA-C-N 116.145 -0.479 . . . . 10.0 110.026 179.11 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -59.51 -43.94 93.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.137 0.494 . . . . 10.0 110.694 179.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -84.26 -1.88 56.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.965 -0.561 . . . . 10.0 111.851 -179.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 451' ' ' LYS . . . . . 0.567 ' HB2' ' O ' ' D' ' 447' ' ' GLU . 2.2 ttmm -104.7 -43.07 5.22 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.451 -0.341 . . . . 10.0 110.757 179.596 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 42.1 t -60.31 -39.18 80.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.21 -0.45 . . . . 10.0 111.27 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 453' ' ' GLN . . . . . 0.424 ' HB2' ' HD3' ' D' ' 454' ' ' PRO . 78.0 mt-30 -57.14 -61.4 7.17 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-O 119.347 -0.358 . . . . 10.0 111.783 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 454' ' ' PRO . . . . . 0.424 ' HD3' ' HB2' ' D' ' 453' ' ' GLN . 37.6 Cg_endo -67.77 -29.69 35.16 Favored 'Trans proline' 0 C--N 1.355 0.908 0 C-N-CA 121.881 1.72 . . . . 10.0 112.011 179.092 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 455' ' ' TYR . . . . . 0.446 ' HB2' ' O ' ' D' ' 451' ' ' LYS . 5.7 t80 -66.51 -47.6 72.46 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.767 -0.457 . . . . 10.0 109.767 179.365 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 19.8 mt -68.65 -32.82 72.95 Favored 'General case' 0 CA--C 1.517 -0.301 0 N-CA-C 109.299 -0.63 . . . . 10.0 109.299 178.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -63.99 -52.66 58.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.818 -0.628 . . . . 10.0 109.963 178.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -62.33 -41.43 98.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.631 -0.713 . . . . 10.0 110.739 179.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 459' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -67.54 -44.93 77.14 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.099 -0.5 . . . . 10.0 111.061 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -64.5 -35.76 82.01 Favored 'General case' 0 C--O 1.222 -0.351 0 C-N-CA 120.993 -0.283 . . . . 10.0 110.239 179.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 62.5 mttt -65.51 -39.86 92.33 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 109.11 -0.7 . . . . 10.0 109.11 178.125 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 462' ' ' LYS . . . . . 0.454 ' HD2' H283 ' D' ' 602' ' ' PCW . 1.9 ttmm -66.5 -40.99 89.54 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.203 -0.908 . . . . 10.0 109.44 178.241 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 463' ' ' TRP . . . . . 0.598 ' NE1' ' H77' ' D' ' 629' ' ' 17F . 50.3 m0 -65.77 -39.84 91.41 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.187 -0.672 . . . . 10.0 109.187 178.569 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -61.56 -43.55 98.65 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.085 178.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 465' ' ' GLU . . . . . 0.508 ' O ' ' HG ' ' D' ' 469' ' ' LEU . 45.8 mt-10 -61.44 -46.54 89.67 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.317 -0.623 . . . . 10.0 109.317 178.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.83 -44.71 92.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.912 -0.586 . . . . 10.0 110.294 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 61.2 mtm -63.53 -37.51 87.58 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.83 0.348 . . . . 10.0 110.09 178.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 468' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -63.67 -46.83 83.82 Favored 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 108.755 -0.831 . . . . 10.0 108.755 178.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 469' ' ' LEU . . . . . 0.515 HD22 ' HE3' ' D' ' 473' ' ' LYS . 95.6 mt -60.37 -35.01 74.69 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.62 -0.718 . . . . 10.0 110.296 179.372 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 12.9 m-30 -63.73 -35.51 80.82 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.712 -0.477 . . . . 10.0 109.712 178.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 471' ' ' ARG . . . . . 0.517 ' HA ' ' HG3' ' D' ' 475' ' ' GLU . 62.2 mtt180 -74.89 -21.22 59.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.916 -0.584 . . . . 10.0 111.346 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 472' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -109.43 3.76 21.74 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.156 0.428 . . . . 10.0 112.156 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 473' ' ' LYS . . . . . 0.515 ' HE3' HD22 ' D' ' 469' ' ' LEU . 88.9 mttt -134.35 -61.41 0.78 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.545 0.202 . . . . 10.0 111.545 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 85.5 t -63.45 -38.0 81.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.703 0.287 . . . . 10.0 110.676 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 475' ' ' GLU . . . . . 0.517 ' HG3' ' HA ' ' D' ' 471' ' ' ARG . 24.2 mm-40 -59.06 -60.88 9.09 Favored Pre-proline 0 CA--C 1.537 0.457 0 CA-C-N 116.019 -0.537 . . . . 10.0 111.683 178.707 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 476' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -60.74 -37.55 77.83 Favored 'Trans proline' 0 C--N 1.354 0.851 0 C-N-CA 122.0 1.8 . . . . 10.0 110.956 178.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 17.0 mt -62.57 -36.8 83.82 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.35 -0.386 . . . . 10.0 110.071 179.172 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 478' ' ' ARG . . . . . . . . . . . . . 19.4 mtt180 -59.96 -33.51 72.03 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.937 -0.394 . . . . 10.0 109.937 178.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -80.6 -46.56 15.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.716 -0.675 . . . . 10.0 110.569 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -63.07 -42.12 99.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.023 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 56.5 mt -73.47 -23.49 60.08 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 110.006 -0.368 . . . . 10.0 110.006 178.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 482' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -69.67 -49.56 52.41 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 108.245 -1.02 . . . . 10.0 108.245 178.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.13 -38.79 92.34 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.515 -0.766 . . . . 10.0 109.099 178.604 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -64.44 -42.41 97.61 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 110.95 -0.86 . . . . 10.0 110.95 178.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -67.3 -36.22 81.06 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 109.419 -0.586 . . . . 10.0 109.419 178.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 89.7 mtt180 -63.96 -41.12 97.66 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 109.219 -0.66 . . . . 10.0 109.219 178.087 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -64.71 -43.37 93.68 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 108.822 -0.807 . . . . 10.0 108.822 178.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -62.11 -44.8 95.85 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.986 -0.552 . . . . 10.0 109.927 179.052 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 47.6 mt -63.06 -38.36 90.88 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.556 -0.535 . . . . 10.0 109.556 178.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 490' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -62.41 -46.56 88.04 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.71 -0.848 . . . . 10.0 108.71 178.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 491' ' ' GLU . . . . . 0.411 ' O ' ' HD2' ' D' ' 495' ' ' LYS . 41.3 mt-10 -59.25 -48.18 82.58 Favored 'General case' 0 C--O 1.232 0.146 0 N-CA-C 108.669 -0.863 . . . . 10.0 108.669 178.38 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 492' ' ' LEU . . . . . . . . . . . . . 94.3 mt -59.2 -54.59 45.2 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 115.271 -0.877 . . . . 10.0 111.625 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -59.33 -38.58 80.68 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.086 0.402 . . . . 10.0 112.086 -179.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 494' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -70.14 -4.83 23.24 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 121.193 0.52 . . . . 10.0 111.375 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 495' ' ' LYS . . . . . 0.478 ' HE3' HD22 ' A' ' 279' ' ' LEU . 15.5 mttp -114.26 -34.92 5.16 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.829 -0.623 . . . . 10.0 109.713 178.07 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 496' ' ' LEU . . . . . . . . . . . . . 76.3 mt -62.18 -28.57 69.76 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 115.839 -0.619 . . . . 10.0 110.979 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 497' ' ' SER . . . . . 0.453 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 1.6 m -75.92 -63.1 0.66 Allowed Pre-proline 0 C--N 1.321 -0.64 0 C-N-CA 120.929 -0.308 . . . . 10.0 111.447 179.154 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 498' ' ' PRO . . . . . 0.453 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 27.5 Cg_endo -62.26 -49.13 6.62 Favored 'Trans proline' 0 C--N 1.356 0.971 0 C-N-CA 121.756 1.637 . . . . 10.0 112.288 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 499' ' ' LEU . . . . . 0.632 HD21 ' HG2' ' A' ' 275' ' ' LYS . 90.8 mt -69.31 -32.06 70.95 Favored 'General case' 0 CA--C 1.519 -0.217 0 N-CA-C 110.407 -0.22 . . . . 10.0 110.407 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -66.62 -50.28 49.9 Favored Glycine 0 N--CA 1.449 -0.495 0 N-CA-C 110.823 -0.911 . . . . 10.0 110.823 179.092 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 501' ' ' GLU . . . . . 0.454 ' OE2' ' HD2' ' D' ' 504' ' ' ARG . 5.5 mm-40 -63.6 -34.92 78.89 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 109.555 -0.535 . . . . 10.0 109.555 178.689 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 502' ' ' GLU . . . . . 0.551 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 32.0 tt0 -67.17 -41.8 85.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.792 -0.64 . . . . 10.0 109.553 178.576 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 503' ' ' MET . . . . . 0.532 ' HA ' ' HD2' ' D' ' 506' ' ' ARG . 64.9 mmm -64.34 -37.93 89.25 Favored 'General case' 0 CA--C 1.521 -0.151 0 N-CA-C 109.577 -0.527 . . . . 10.0 109.577 178.709 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 504' ' ' ARG . . . . . 0.454 ' HD2' ' OE2' ' D' ' 501' ' ' GLU . 75.0 mtt180 -68.08 -34.39 76.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.729 -0.669 . . . . 10.0 109.374 178.519 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 505' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -70.41 -40.21 73.99 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 109.316 -0.624 . . . . 10.0 109.316 178.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 506' ' ' ARG . . . . . 0.551 ' HG3' ' O ' ' D' ' 502' ' ' GLU . 46.9 mtt180 -60.7 -44.13 96.93 Favored 'General case' 0 CA--C 1.518 -0.26 0 N-CA-C 107.943 -1.132 . . . . 10.0 107.943 177.592 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -58.79 -40.64 84.61 Favored 'General case' 0 C--O 1.225 -0.23 0 CA-C-N 115.249 -0.887 . . . . 10.0 109.958 178.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 508' ' ' ARG . . . . . 0.436 HH11 ' HD2' ' D' ' 508' ' ' ARG . 57.7 mtt85 -62.73 -48.07 80.82 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.433 -0.58 . . . . 10.0 109.433 178.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 509' ' ' ALA . . . . . 0.541 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -59.68 -41.12 89.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.853 -0.612 . . . . 10.0 111.132 179.733 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 510' ' ' HIS . . . . . 0.578 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 21.9 m-70 -71.89 -47.53 52.08 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.875 179.51 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 511' ' ' VAL . . . . . . . . . . . . . 31.2 t -63.58 -43.25 98.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.714 0.292 . . . . 10.0 111.022 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -65.64 -31.09 71.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.129 0.49 . . . . 10.0 110.062 179.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 513' ' ' ALA . . . . . 0.421 ' HB2' ' NZ ' ' A' ' 264' ' ' LYS . . . -69.09 -44.7 71.97 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 108.122 -1.066 . . . . 10.0 108.122 177.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 514' ' ' LEU . . . . . 0.673 ' HA ' ' HB2' ' D' ' 517' ' ' HIS . 90.6 mt -59.8 -26.61 65.89 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.469 -0.787 . . . . 10.0 110.657 179.031 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 515' ' ' ARG . . . . . 0.503 ' O ' ' HD3' ' D' ' 520' ' ' PRO . 76.3 mtt180 -63.91 -31.9 73.25 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.764 -0.458 . . . . 10.0 109.764 178.705 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.47 10.18 23.24 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.439 0.638 . . . . 10.0 110.215 179.507 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 517' ' ' HIS . . . . . 0.673 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 26.1 m170 -115.61 -59.98 1.93 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.89 -0.595 . . . . 10.0 110.556 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 518' ' ' LEU . . . . . . . . . . . . . 69.6 mt -80.58 -55.42 4.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.973 -0.558 . . . . 10.0 111.622 -179.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 519' ' ' ALA . . . . . 0.59 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -47.93 -56.17 14.7 Favored Pre-proline 0 N--CA 1.467 0.418 0 N-CA-C 113.585 0.957 . . . . 10.0 113.585 -178.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 520' ' ' PRO . . . . . 0.59 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 31.9 Cg_exo -63.02 -35.6 64.62 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 121.832 1.688 . . . . 10.0 110.914 179.045 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 521' ' ' TYR . . . . . 0.502 ' HB2' ' O ' ' D' ' 517' ' ' HIS . 10.5 t80 -67.03 -36.29 81.77 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.078 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 522' ' ' SER . . . . . 0.505 ' O ' ' HG3' ' D' ' 526' ' ' ARG . 5.2 m -60.26 -39.93 88.54 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 108.437 -0.949 . . . . 10.0 108.437 178.348 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 523' ' ' ASP . . . . . 0.489 ' HA ' ' HD2' ' D' ' 526' ' ' ARG . 35.2 t70 -69.79 -42.85 73.21 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.206 -0.906 . . . . 10.0 110.243 179.45 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -64.82 -33.76 76.75 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.231 0.539 . . . . 10.0 109.704 178.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 525' ' ' LEU . . . . . 0.406 HD23 ' HD2' ' D' ' 528' ' ' ARG . 15.0 mt -68.58 -33.24 73.73 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-N 115.5 -0.773 . . . . 10.0 109.946 178.015 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 526' ' ' ARG . . . . . 0.505 ' HG3' ' O ' ' D' ' 522' ' ' SER . 69.7 mtt180 -58.82 -39.41 81.11 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.379 179.461 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -63.53 -43.34 97.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.841 -0.618 . . . . 10.0 109.889 179.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 528' ' ' ARG . . . . . 0.557 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 77.4 mtt180 -69.59 -49.15 56.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.421 -0.809 . . . . 10.0 110.433 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 92.6 mt -59.51 -35.72 74.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.931 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -66.26 -36.21 82.41 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.902 -0.407 . . . . 10.0 109.902 179.069 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -73.57 -42.68 61.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.696 -0.684 . . . . 10.0 109.178 179.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 532' ' ' ARG . . . . . 0.41 ' O ' ' HG ' ' D' ' 536' ' ' LEU . 18.7 ttm180 -61.73 -45.98 91.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.585 -0.734 . . . . 10.0 109.357 178.734 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 48.8 mt -66.59 -32.32 73.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.773 -0.649 . . . . 10.0 110.004 178.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 534' ' ' GLU . . . . . 0.47 ' HA ' ' HE3' ' D' ' 537' ' ' LYS . 37.4 tt0 -66.63 -44.98 80.57 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 108.993 -0.743 . . . . 10.0 108.993 178.518 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -62.57 -41.72 99.1 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 108.871 -0.789 . . . . 10.0 108.871 177.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 536' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' D' ' 532' ' ' ARG . 94.5 mt -66.39 -28.43 68.63 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.581 -0.736 . . . . 10.0 110.472 178.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 537' ' ' LYS . . . . . 0.47 ' HE3' ' HA ' ' D' ' 534' ' ' GLU . 41.8 mtmt -77.5 -43.5 31.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.356 -0.384 . . . . 10.0 110.121 178.613 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -65.79 -48.53 71.48 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 109.761 -0.459 . . . . 10.0 109.761 179.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -66.75 -36.31 82.15 Favored 'General case' 0 CA--C 1.512 -0.483 0 N-CA-C 108.629 -0.878 . . . . 10.0 108.629 178.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -62.05 -46.45 94.0 Favored Glycine 0 N--CA 1.443 -0.836 0 N-CA-C 111.292 -0.723 . . . . 10.0 111.292 179.172 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -60.21 -43.85 98.03 Favored Glycine 0 N--CA 1.449 -0.438 0 N-CA-C 111.057 -0.817 . . . . 10.0 111.057 178.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -64.76 -49.3 71.32 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.942 -0.392 . . . . 10.0 109.942 178.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 543' ' ' ARG . . . . . 0.457 HH11 ' HD2' ' D' ' 543' ' ' ARG . 59.2 mtt85 -61.27 -34.51 75.3 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.997 179.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 42.0 mt -64.92 -41.68 95.34 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.282 -0.636 . . . . 10.0 109.282 178.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -65.69 -43.87 87.92 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.116 -0.698 . . . . 10.0 109.116 178.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 546' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -62.93 -43.04 99.88 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 115.892 -0.594 . . . . 10.0 110.009 178.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -60.52 -47.92 84.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.684 -0.689 . . . . 10.0 110.261 179.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 32.1 m-70 -65.35 -39.95 93.01 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.482 -0.326 . . . . 10.0 110.885 179.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -65.46 -47.94 74.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.4 179.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 550' ' ' LYS . . . . . 0.437 ' O ' ' HB2' ' D' ' 554' ' ' HIS . 10.9 mptt -66.94 -29.68 69.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.498 . . . . 10.0 110.295 179.221 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -64.62 -42.75 95.29 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.566 -0.531 . . . . 10.0 109.566 178.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -69.2 -42.75 75.36 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.393 -0.367 . . . . 10.0 110.172 178.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -60.93 -45.24 95.47 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.417 -0.586 . . . . 10.0 109.417 178.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 554' ' ' HIS . . . . . 0.437 ' HB2' ' O ' ' D' ' 550' ' ' LYS . 0.7 OUTLIER -64.94 -38.47 91.06 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.475 -0.784 . . . . 10.0 109.547 179.029 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 29.2 tp -62.09 -44.89 95.68 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.067 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 24.2 m -63.53 -42.84 98.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.044 -0.526 . . . . 10.0 109.761 178.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 9.8 m -66.83 -37.27 84.17 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.89 -0.595 . . . . 10.0 110.117 179.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 27.3 mt -62.17 -51.37 68.11 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.545 178.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 2.2 p -65.9 -36.72 84.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.604 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -61.23 -31.12 70.9 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 115.878 -0.601 . . . . 10.0 111.03 179.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 561' ' ' LYS . . . . . 0.409 ' O ' ' HD2' ' D' ' 564' ' ' PRO . 0.0 OUTLIER -96.47 -40.68 8.96 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 121.101 -0.24 . . . . 10.0 111.395 -179.764 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -57.64 -43.86 85.2 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.491 0.552 . . . . 10.0 112.491 -179.003 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 563' ' ' LYS . . . . . 0.736 ' HB2' ' HD3' ' D' ' 564' ' ' PRO . 94.6 mttt -56.42 -60.59 8.68 Favored Pre-proline 0 CA--C 1.536 0.408 0 N-CA-C 112.553 0.575 . . . . 10.0 112.553 -179.742 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 564' ' ' PRO . . . . . 0.736 ' HD3' ' HB2' ' D' ' 563' ' ' LYS . 31.7 Cg_exo -63.49 -41.37 26.2 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 122.155 1.903 . . . . 10.0 111.734 179.372 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -60.35 -53.57 56.0 Favored 'General case' 0 C--N 1.331 -0.201 0 O-C-N 123.284 0.365 . . . . 10.0 110.919 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 45.4 mt -60.73 -40.47 92.5 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.625 -0.262 . . . . 10.0 110.913 179.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -62.84 -47.28 84.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.878 0.37 . . . . 10.0 110.49 179.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -64.21 -38.85 92.51 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.118 179.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 569' ' ' LEU . . . . . 0.469 HD21 HD21 ' A' ' 206' ' ' ASN . 69.6 mt -65.92 -42.03 90.62 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.241 178.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 83.7 mtt180 -66.13 -46.1 78.7 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.216 0.531 . . . . 10.0 110.404 179.257 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -74.87 -6.8 51.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.676 -0.693 . . . . 10.0 110.815 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -104.39 -35.41 3.35 Favored Glycine 0 N--CA 1.451 -0.364 0 N-CA-C 111.179 -0.769 . . . . 10.0 111.179 179.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 573' ' ' LEU . . . . . 0.585 ' HA ' HG12 ' D' ' 576' ' ' VAL . 30.0 mt -70.39 -41.33 73.19 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.728 -0.236 . . . . 10.0 110.525 179.056 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 574' ' ' LEU . . . . . 0.42 ' O ' ' HG2' ' D' ' 578' ' ' GLU . 92.4 mt -50.44 -59.29 7.51 Favored Pre-proline 0 CA--C 1.534 0.364 0 N-CA-C 112.295 0.479 . . . . 10.0 112.295 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -68.14 -38.01 13.32 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 122.01 1.806 . . . . 10.0 112.522 179.115 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 576' ' ' VAL . . . . . 0.585 HG12 ' HA ' ' D' ' 573' ' ' LEU . 0.4 OUTLIER -64.1 -37.4 79.75 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.157 0 C-N-CA 120.905 -0.318 . . . . 10.0 110.735 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 577' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' D' ' 573' ' ' LEU . 67.1 mt -66.99 -37.34 84.05 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 109.103 -0.703 . . . . 10.0 109.103 178.177 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 578' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' D' ' 574' ' ' LEU . 75.6 mm-40 -61.57 -43.59 98.58 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 109.36 -0.607 . . . . 10.0 109.36 178.433 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 8.9 m -63.68 -45.33 90.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.647 -0.706 . . . . 10.0 109.531 178.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -60.73 -42.31 97.07 Favored 'General case' 0 C--N 1.335 -0.056 0 CA-C-N 115.899 -0.592 . . . . 10.0 110.966 179.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -53.88 -45.89 71.19 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 109.989 -0.375 . . . . 10.0 109.989 179.051 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 582' ' ' VAL . . . . . . . . . . . . . 65.6 t -61.8 -49.67 83.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.932 -0.576 . . . . 10.0 111.257 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.24 -27.53 67.3 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 112.402 0.519 . . . . 10.0 112.402 -179.288 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 584' ' ' PHE . . . . . 0.449 ' O ' ' HG ' ' D' ' 588' ' ' LEU . 9.9 m-85 -80.37 -44.88 18.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.675 -0.239 . . . . 10.0 111.105 179.26 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 59.4 mt -59.85 -43.81 94.46 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.944 0.402 . . . . 10.0 110.84 179.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 3.4 p -64.0 -39.38 93.99 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.055 -0.52 . . . . 10.0 109.972 179.343 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 587' ' ' ALA . . . . . 0.592 ' HB2' ' HG2' ' A' ' 396' ' ' LYS . . . -63.27 -47.82 80.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.903 -0.59 . . . . 10.0 110.697 179.262 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 588' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' D' ' 584' ' ' PHE . 90.5 mt -56.39 -47.64 78.56 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.796 179.502 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -62.18 -41.94 98.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 10.0 111.118 179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 590' ' ' GLU . . . . . 0.415 ' HG3' ' NZ ' ' A' ' 396' ' ' LYS . 5.1 mm-40 -67.71 -45.69 74.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.132 -0.485 . . . . 10.0 111.889 -179.545 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 591' ' ' TYR . . . . . 0.403 ' CB ' ' H48' ' D' ' 630' ' ' 17F . 19.5 m-85 -63.05 -34.55 77.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.876 0.37 . . . . 10.0 111.074 -179.706 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 12.2 m -77.35 -26.83 52.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.767 179.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 25.6 ttmt -75.68 -42.33 51.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.102 -0.499 . . . . 10.0 109.819 179.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 594' ' ' LYS . . . . . 0.457 ' HE2' ' HB2' ' A' ' 388' ' ' SER . 6.1 mptt -75.09 -45.15 43.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.758 -0.656 . . . . 10.0 110.748 179.568 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 18.2 mt -97.18 64.48 1.94 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.682 -0.488 . . . . 10.0 109.682 179.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 . . . . . 0 C--N 1.322 -0.611 0 CA-C-N 116.098 -0.501 . . . . 10.0 111.449 -179.293 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 46.6 m . . . . . 0 N--CA 1.456 -0.171 0 CA-C-O 120.85 0.357 . . . . 10.0 110.954 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.17 128.33 55.42 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.493 -0.322 . . . . 10.0 110.154 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 73.2 tt0 -87.45 139.2 30.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.623 0.249 . . . . 10.0 110.55 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' TYR . . . . . 0.456 ' CD2' ' HB3' ' B' ' 51' ' ' CYS . 99.5 m-85 -131.68 109.86 10.48 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.194 179.737 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.793 ' HA ' ' HB3' ' B' ' 54' ' ' ASP . 46.4 mttm -79.61 108.26 13.02 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.266 -0.424 . . . . 10.0 110.483 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.626 HD11 HD22 ' B' ' 53' ' ' LEU . 17.6 mt -108.5 113.43 26.45 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.867 -0.606 . . . . 10.0 110.473 -179.115 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 89.5 t -100.84 123.0 53.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 N-CA-C 109.999 -0.371 . . . . 10.0 109.999 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.425 HG11 ' HB2' ' B' ' 16' ' ' LYS . 2.6 t -86.93 113.3 24.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.516 -0.55 . . . . 10.0 109.516 -179.524 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.5 m -111.64 152.63 13.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.834 -179.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 143.63 163.76 10.0 Favored Glycine 0 N--CA 1.444 -0.795 0 N-CA-C 111.122 -0.791 . . . . 10.0 111.122 -179.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.36 174.15 6.01 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.101 0.477 . . . . 10.0 111.092 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.48 145.24 27.51 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.906 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 92.94 8.29 61.92 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.975 -0.631 . . . . 10.0 112.284 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 32.0 m -90.83 -24.36 5.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.663 0.268 . . . . 10.0 111.156 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 100.33 22.56 11.42 Favored Glycine 0 CA--C 1.518 0.228 0 C-N-CA 120.921 -0.657 . . . . 10.0 113.113 179.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.671 ' HG2' ' O2B' ' B' ' 201' ' ' GSP . 2.3 ptmt -65.38 -25.59 67.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.112 0.482 . . . . 10.0 111.621 -179.691 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . 0.592 ' HB2' ' O1A' ' B' ' 201' ' ' GSP . 0.9 OUTLIER -81.57 -45.85 15.28 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 109.017 -0.735 . . . . 10.0 109.017 178.359 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.17 -44.48 83.54 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.612 -0.722 . . . . 10.0 111.118 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 27.1 mt -59.5 -44.46 93.11 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.925 0.393 . . . . 10.0 110.773 179.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 21.6 m -65.6 -43.18 90.47 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.11 -0.495 . . . . 10.0 111.34 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 98.7 mt -62.76 -33.01 57.7 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 CA-C-O 121.118 0.485 . . . . 10.0 110.905 179.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . 0.587 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 7.5 mm-40 -70.74 -19.3 62.75 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.967 179.753 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 8.2 tp -94.12 -36.94 11.85 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.317 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.415 HD11 HD12 ' B' ' 55' ' ' ILE . 51.3 mm -82.4 -67.16 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.899 -179.324 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . 0.606 ' HB3' ' HD2' ' B' ' 27' ' ' HIS . 87.6 mt-30 -86.88 -13.71 44.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.763 0.316 . . . . 10.0 111.47 -179.275 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . 0.587 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 50.5 m-80 64.33 41.72 5.71 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 113.429 0.9 . . . . 10.0 113.429 178.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . 0.606 ' HD2' ' HB3' ' B' ' 25' ' ' GLN . 11.8 p80 -146.09 164.12 33.14 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.226 -0.443 . . . . 10.0 109.832 178.606 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -110.69 130.68 55.51 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.937 0.399 . . . . 10.0 111.605 -178.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 3.0 m -89.94 121.72 40.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.458 179.137 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -81.41 -26.38 35.44 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.028 0.442 . . . . 10.0 110.606 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -86.72 149.37 24.93 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.971 -0.559 . . . . 10.0 110.635 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . 0.554 ' CE1' H5'2 ' B' ' 201' ' ' GSP . 1.7 t80 -96.36 107.74 20.16 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.08 0.467 . . . . 10.0 111.618 -179.285 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -112.12 118.09 46.69 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 115.37 -0.832 . . . . 10.0 109.028 179.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . 0.691 ' HA ' ' S1G' ' B' ' 201' ' ' GSP . 37.3 Cg_exo -61.67 151.61 79.26 Favored 'Trans proline' 0 CA--C 1.533 0.462 0 C-N-CA 123.158 2.572 . . . . 10.0 112.799 -179.649 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.439 ' OG1' ' O3G' ' B' ' 201' ' ' GSP . 1.4 m -119.54 117.7 29.07 Favored 'General case' 0 C--N 1.332 -0.192 0 O-C-N 122.249 -0.282 . . . . 10.0 110.762 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 47.6 mm -88.07 -48.55 15.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 108.295 -1.002 . . . . 10.0 108.295 178.275 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -175.52 96.8 0.07 Allowed 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.478 -0.783 . . . . 10.0 109.433 179.29 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -131.89 127.29 36.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.507 -0.315 . . . . 10.0 110.31 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 22.2 p -117.47 149.31 40.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.376 -0.375 . . . . 10.0 111.308 -179.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -132.15 146.76 52.24 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.156 -0.474 . . . . 10.0 110.196 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 2.2 mpp_? -112.89 132.55 55.26 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.037 -0.528 . . . . 10.0 109.75 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . 0.424 ' HE3' ' CG1' ' B' ' 44' ' ' VAL . 54.4 tttp -143.51 125.37 15.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.754 0.311 . . . . 10.0 111.325 -179.322 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -98.94 116.58 31.49 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.434 -0.348 . . . . 10.0 110.105 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . 0.424 ' CG1' ' HE3' ' B' ' 42' ' ' LYS . 0.9 OUTLIER -133.28 164.35 35.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.888 0.375 . . . . 10.0 111.512 -179.152 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 21.7 t -102.61 98.58 7.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.907 -0.588 . . . . 10.0 109.504 179.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . 0.689 ' HA ' ' HD2' ' C' ' 128' ' ' LYS . 17.4 mt -108.0 122.49 62.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.969 -0.56 . . . . 10.0 110.534 -179.369 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . 0.561 ' H ' ' HD2' ' C' ' 128' ' ' LYS . 2.6 m-20 58.52 32.64 22.36 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.292 -0.867 . . . . 10.0 111.459 179.548 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.75 7.29 87.56 Favored Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 115.949 -0.569 . . . . 10.0 113.488 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -117.31 143.96 45.38 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.959 0.379 . . . . 10.0 111.47 -179.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.55 104.36 13.61 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.381 -0.599 . . . . 10.0 109.381 178.555 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . 0.456 ' HB3' ' CD2' ' B' ' 4' ' ' TYR . 3.5 m -105.42 136.39 45.06 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 112.356 0.502 . . . . 10.0 112.356 -178.101 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 66.2 tp -103.31 103.81 13.87 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.355 -0.98 . . . . 10.0 108.355 177.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . 0.626 HD22 HD11 ' B' ' 6' ' ' LEU . 51.4 mt -78.03 121.31 24.06 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 112.758 0.651 . . . . 10.0 112.758 -178.242 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . 0.793 ' HB3' ' HA ' ' B' ' 5' ' ' LYS . 33.9 t70 -106.9 75.95 1.07 Allowed 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 107.578 -1.267 . . . . 10.0 107.578 178.291 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' ILE . . . . . 0.418 ' H ' HG13 ' B' ' 55' ' ' ILE . 3.9 mt -79.09 136.38 23.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.54 -0.755 . . . . 10.0 111.581 -177.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 53.7 tp -139.03 106.41 5.53 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.714 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . 0.439 ' OD1' ' HE2' ' B' ' 16' ' ' LYS . 20.6 t0 -83.97 121.21 27.08 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.485 -0.561 . . . . 10.0 109.485 178.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 22.8 p -98.33 162.61 13.09 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.049 -0.523 . . . . 10.0 111.434 -178.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.91 127.07 31.8 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.738 -0.664 . . . . 10.0 110.979 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -102.35 15.87 55.77 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.716 -0.755 . . . . 10.0 111.463 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -92.48 20.72 5.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.719 0.295 . . . . 10.0 111.313 -179.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 59.2 -155.28 0.36 Allowed 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.872 -179.529 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 74.3 -44.74 0.57 Allowed 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.14 0.576 . . . . 10.0 111.684 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' TYR . . . . . 0.543 ' O ' ' HB2' ' B' ' 68' ' ' ARG . 93.4 m-85 -76.43 68.68 2.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.12 0.486 . . . . 10.0 110.833 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.77 -57.72 3.53 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.905 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.18 -20.04 52.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.033 -0.53 . . . . 10.0 111.071 -179.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.05 -31.96 44.71 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.712 179.7 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . 0.577 ' HA ' ' HD2' ' B' ' 71' ' ' TYR . 11.5 ttp180 -66.16 -31.02 71.61 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 116.134 -0.485 . . . . 10.0 111.624 -179.48 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -59.58 -37.1 77.61 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.384 0.612 . . . . 10.0 109.948 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -63.49 -39.74 95.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.331 -0.85 . . . . 10.0 111.262 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' TYR . . . . . 0.577 ' HD2' ' HA ' ' B' ' 68' ' ' ARG . 44.4 m-85 -71.43 -42.69 67.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.104 0.478 . . . . 10.0 110.575 179.729 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . 0.445 ' SD ' ' HG2' ' B' ' 99' ' ' GLN . 66.2 mtt -63.22 -32.05 73.36 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.517 -0.765 . . . . 10.0 112.991 -178.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . 0.442 HH11 ' HD2' ' B' ' 73' ' ' ARG . 39.3 ttm180 -78.27 -4.72 49.26 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.216 0.531 . . . . 10.0 111.515 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 5.5 m -109.4 -44.41 3.91 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 122.136 -0.353 . . . . 10.0 111.366 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.59 152.28 52.25 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.787 -0.72 . . . . 10.0 113.456 -179.092 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -103.78 -48.55 3.9 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.325 0.584 . . . . 10.0 109.908 179.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -108.59 130.4 10.04 Favored Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 110.919 -0.872 . . . . 10.0 110.919 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . 0.835 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 96.9 m-85 -110.68 115.93 30.43 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.282 0.563 . . . . 10.0 111.603 -179.547 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.5 HD13 HD22 ' B' ' 159' ' ' LEU . 12.3 tp -90.1 102.6 15.31 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.563 -0.744 . . . . 10.0 109.864 179.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 3.6 m -85.35 94.22 8.9 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.209 -0.451 . . . . 10.0 109.873 -179.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . 0.42 HG22 ' HB ' ' B' ' 114' ' ' VAL . 42.3 t -101.06 125.49 54.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.144 -0.48 . . . . 10.0 111.341 -178.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 82' ' ' PHE . . . . . 0.798 ' HB2' ' HB2' ' B' ' 89' ' ' SER . 42.7 p90 -132.67 150.45 52.16 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.193 -0.458 . . . . 10.0 109.855 179.124 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -87.66 127.15 35.29 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.313 -0.625 . . . . 10.0 109.313 179.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . 0.732 HD11 ' HA ' ' B' ' 118' ' ' CYS . 25.0 pt -65.52 -15.47 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 112.347 0.499 . . . . 10.0 112.347 -179.225 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -89.65 -11.34 42.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.89 0.376 . . . . 10.0 110.78 179.304 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 43.4 t-20 -116.64 108.84 16.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.293 -179.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 3.1 m -65.38 -33.92 77.09 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.709 0.633 . . . . 10.0 112.709 -179.34 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -56.27 -44.31 79.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.464 -0.335 . . . . 10.0 111.359 -179.196 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . 0.798 ' HB2' ' HB2' ' B' ' 82' ' ' PHE . 0.0 OUTLIER -63.81 -33.92 76.77 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.775 0.287 . . . . 10.0 111.775 -179.722 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . 0.412 ' HE1' ' HA ' ' B' ' 130' ' ' ALA . 71.3 t80 -67.13 -46.41 74.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.299 -0.409 . . . . 10.0 111.209 -179.383 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -73.41 -27.12 61.28 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.945 0.402 . . . . 10.0 111.467 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -71.36 -17.98 62.39 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.225 0.454 . . . . 10.0 112.225 -179.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 28.3 mm -53.62 -46.46 61.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.796 0.331 . . . . 10.0 110.906 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -63.83 -38.31 90.61 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.472 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -61.93 -41.51 98.03 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.029 -0.532 . . . . 10.0 111.002 -179.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 96' ' ' TYR . . . . . 0.403 ' O ' HG13 ' B' ' 100' ' ' ILE . 42.5 m-85 -76.6 -38.38 54.9 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.267 179.374 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 23.2 ttt180 -58.92 -46.48 87.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.016 -0.538 . . . . 10.0 111.587 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -62.51 -36.46 82.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 10.0 111.67 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 99' ' ' GLN . . . . . 0.445 ' HG2' ' SD ' ' B' ' 72' ' ' MET . 58.5 tt0 -67.39 -43.72 80.66 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.53 -0.544 . . . . 10.0 109.53 179.102 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . 0.403 HG13 ' O ' ' B' ' 96' ' ' TYR . 91.9 mt -57.67 -49.68 79.9 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.393 179.484 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 3.8 mtmp? -65.25 -30.93 71.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.049 -0.523 . . . . 10.0 111.216 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -72.32 -51.71 19.49 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.181 -0.463 . . . . 10.0 111.524 -179.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 95.8 t -64.36 -49.39 81.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.893 -0.594 . . . . 10.0 111.548 -178.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -72.83 -15.58 61.62 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.856 0.317 . . . . 10.0 111.856 -179.033 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 33.1 t0 57.87 63.86 1.68 Allowed 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.492 0.663 . . . . 10.0 111.504 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 11.0 t -160.28 157.72 28.58 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.394 -0.821 . . . . 10.0 109.477 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -97.37 -30.05 13.16 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.174 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -106.4 103.84 13.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.413 -0.358 . . . . 10.0 110.99 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 0.438 ' HA ' ' HD3' ' B' ' 110' ' ' PRO . 55.2 t -118.86 131.84 24.16 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 116.197 -0.456 . . . . 10.0 109.87 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 110' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 24.7 Cg_exo -65.12 104.12 0.57 Allowed 'Trans proline' 0 C--O 1.236 0.384 0 C-N-CA 122.969 2.446 . . . . 10.0 111.474 179.312 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 111' ' ' MET . . . . . 0.835 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 66.6 mtm -139.58 153.47 47.4 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.521 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 68.2 t -133.41 131.35 57.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 109.222 -0.658 . . . . 10.0 109.222 178.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . 0.455 ' HB3' ' HD1' ' B' ' 141' ' ' PHE . 11.0 tp -86.2 119.07 26.09 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.735 -0.468 . . . . 10.0 109.735 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 114' ' ' VAL . . . . . 0.42 ' HB ' HG22 ' B' ' 81' ' ' VAL . 79.5 t -121.22 127.93 75.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 120.992 0.425 . . . . 10.0 111.454 -178.508 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -105.43 117.22 5.47 Favored Glycine 0 N--CA 1.446 -0.671 0 N-CA-C 110.298 -1.121 . . . . 10.0 110.298 178.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -100.87 166.23 10.95 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 117.147 0.474 . . . . 10.0 111.132 -179.053 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . 0.45 ' HE2' ' C4 ' ' B' ' 201' ' ' GSP . 95.9 mttt 67.1 33.93 5.35 Favored 'General case' 0 N--CA 1.462 0.17 0 O-C-N 123.705 0.628 . . . . 10.0 112.215 179.225 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 118' ' ' CYS . . . . . 0.732 ' HA ' HD11 ' B' ' 84' ' ' ILE . 54.7 m -69.64 -6.96 34.91 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.063 0.394 . . . . 10.0 112.063 179.362 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.79 -29.85 29.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.526 179.342 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . 0.43 HD21 ' N2 ' ' B' ' 201' ' ' GSP . 43.9 mt -65.83 127.14 92.89 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 115.911 -0.586 . . . . 10.0 111.951 -178.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -72.81 167.68 26.59 Favored 'Trans proline' 0 C--O 1.236 0.379 0 C-N-CA 122.453 2.102 . . . . 10.0 111.571 179.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 12.7 m 60.2 46.03 10.88 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.821 -0.627 . . . . 10.0 111.677 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 1.7 ptp180 -63.07 142.45 58.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.303 -0.862 . . . . 10.0 111.16 179.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.52 -46.89 8.35 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.671 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 45.7 t -87.67 122.18 39.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.385 -0.37 . . . . 10.0 110.1 179.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -87.2 156.42 19.68 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.105 -0.498 . . . . 10.0 109.756 179.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.29 -42.27 98.37 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.542 -0.299 . . . . 10.0 111.038 -179.26 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 128' ' ' LYS . . . . . 0.997 ' HB2' ' HA ' ' C' ' 47' ' ' ASP . 18.5 pttt -54.81 -50.79 67.68 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.675 0.62 . . . . 10.0 112.675 -179.219 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -69.95 -35.78 74.76 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 111.915 0.339 . . . . 10.0 111.915 -179.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . 0.412 ' HA ' ' HE1' ' B' ' 90' ' ' PHE . . . -70.96 -42.57 69.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.247 0.546 . . . . 10.0 110.872 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -70.03 -34.35 73.16 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.816 -0.629 . . . . 10.0 111.802 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -68.26 -35.47 77.95 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 109.726 -0.472 . . . . 10.0 109.726 178.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 16.1 tp -65.39 -43.84 89.41 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 108.825 -0.806 . . . . 10.0 108.825 178.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.4 -35.81 82.06 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.53 -0.759 . . . . 10.0 109.913 178.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -61.09 -41.09 96.02 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.782 -0.645 . . . . 10.0 110.043 179.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 20.1 m -72.33 -25.19 61.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.69 179.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 17.1 m-30 -82.78 -26.54 31.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.518 179.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 86.36 18.95 58.05 Favored Glycine 0 N--CA 1.45 -0.409 0 N-CA-C 111.487 -0.645 . . . . 10.0 111.487 -179.101 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 139' ' ' ILE . . . . . 0.415 ' HA ' ' HD3' ' B' ' 140' ' ' PRO . 41.8 pt -118.33 153.15 51.59 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.787 -0.206 . . . . 10.0 110.563 -179.13 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 140' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' B' ' 139' ' ' ILE . 4.0 Cg_exo -77.0 149.57 28.94 Favored 'Trans proline' 0 C--O 1.236 0.395 0 C-N-CA 122.825 2.35 . . . . 10.0 112.227 179.546 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 141' ' ' PHE . . . . . 0.455 ' HD1' ' HB3' ' B' ' 113' ' ' LEU . 88.1 t80 -120.7 130.41 54.07 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.091 -0.504 . . . . 10.0 109.912 179.082 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 28.3 mt -127.77 132.05 69.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 120.816 0.341 . . . . 10.0 111.454 -179.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -83.54 127.62 33.87 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 108.804 -0.813 . . . . 10.0 108.804 178.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 62.0 p -139.03 176.82 8.37 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.626 0.727 . . . . 10.0 112.396 -178.077 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.95 114.22 1.08 Allowed 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.228 -1.027 . . . . 10.0 108.228 178.024 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 146' ' ' ALA . . . . . 0.441 ' HB3' ' N7 ' ' B' ' 201' ' ' GSP . . . -62.65 -35.19 78.84 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.184 0.439 . . . . 10.0 112.184 -178.695 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -59.41 -45.73 90.7 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.208 0.447 . . . . 10.0 112.208 -179.036 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.73 -5.06 46.24 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.618 0.247 . . . . 10.0 111.034 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 149' ' ' ARG . . . . . 0.528 ' HG3' ' HB3' ' B' ' 22' ' ' GLN . 29.1 ttt-85 61.65 31.66 18.62 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.784 -179.385 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -84.28 120.72 26.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.563 -0.744 . . . . 10.0 111.619 -179.036 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 74.17 10.58 81.55 Favored Glycine 0 CA--C 1.52 0.383 0 N-CA-C 114.545 0.578 . . . . 10.0 114.545 178.143 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 152' ' ' VAL . . . . . 0.411 ' O ' ' HD2' ' B' ' 156' ' ' PHE . 95.5 t -62.02 -49.16 85.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 117.261 0.531 . . . . 10.0 110.99 -179.536 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -67.02 -39.97 87.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.259 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -58.32 -43.91 88.42 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.687 -0.688 . . . . 10.0 111.55 -179.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.43 -44.58 95.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.002 -0.544 . . . . 10.0 111.365 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 156' ' ' PHE . . . . . 0.411 ' HD2' ' O ' ' B' ' 152' ' ' VAL . 57.5 m-85 -72.15 -40.47 68.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.33 -0.395 . . . . 10.0 111.831 -179.66 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 157' ' ' TYR . . . . . . . . . . . . . 16.3 m-30 -61.25 -47.4 86.21 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.828 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 89.2 m -61.52 -35.24 77.16 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.086 -0.506 . . . . 10.0 111.452 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 159' ' ' LEU . . . . . 0.595 HD23 HD22 ' B' ' 6' ' ' LEU . 17.5 tp -64.27 -35.89 82.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.239 -0.437 . . . . 10.0 110.473 179.469 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 92.0 t -67.25 -40.15 84.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.321 -0.4 . . . . 10.0 111.059 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.24 -34.89 75.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.413 -0.358 . . . . 10.0 111.181 -179.723 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -66.91 -30.83 71.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 10.0 111.325 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 67.0 mt -73.03 -43.53 58.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.296 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 164' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' B' ' 164' ' ' ARG . 39.8 mtt85 -63.3 -39.13 93.71 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 109.646 -0.502 . . . . 10.0 109.646 178.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 165' ' ' LYS . . . . . 0.538 ' O ' ' HG3' ' B' ' 169' ' ' LYS . 5.5 ttmt -62.82 -43.53 98.55 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.322 -0.854 . . . . 10.0 109.067 178.562 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -58.71 -42.35 88.45 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.4 -0.818 . . . . 10.0 110.077 179.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -61.4 -50.16 73.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.232 179.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -59.66 -41.55 90.85 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.027 0.442 . . . . 10.0 110.19 179.241 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 169' ' ' LYS . . . . . 0.538 ' HG3' ' O ' ' B' ' 165' ' ' LYS . 2.0 mtpm? -61.53 -49.88 74.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.612 -0.722 . . . . 10.0 110.444 179.207 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 95.1 mmm -63.48 -37.15 86.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.994 -0.548 . . . . 10.0 111.965 -179.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 19.0 m -64.25 -27.25 68.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.882 0.372 . . . . 10.0 111.858 -179.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -99.59 -8.27 24.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.407 -0.36 . . . . 10.0 111.197 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 173' ' ' ASP . . . . . 0.481 ' HB3' ' H ' ' B' ' 174' ' ' GLY . 1.7 t70 61.65 -95.19 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.637 -0.711 . . . . 10.0 111.635 179.263 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 174' ' ' GLY . . . . . 0.481 ' H ' ' HB3' ' B' ' 173' ' ' ASP . . . -170.7 145.32 8.93 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 121.097 -0.573 . . . . 10.0 112.043 179.768 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 175' ' ' LYS . . . . . . . . . . . . . 53.6 mmtt 62.31 21.18 12.33 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 112.794 0.664 . . . . 10.0 112.794 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 176' ' ' LYS . . . . . 0.597 ' HZ1' ' C3 ' ' B' ' 209' ' ' 17F . 61.1 mmtt -106.76 25.03 11.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.318 0.58 . . . . 10.0 109.63 178.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 177' ' ' LYS . . . . . . . . . . . . . 10.7 ttpt -149.53 -167.3 2.79 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.198 -0.91 . . . . 10.0 109.079 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 53.5 mttm 63.09 65.16 0.8 Allowed 'General case' 0 C--O 1.235 0.325 0 CA-C-O 120.986 0.422 . . . . 10.0 111.737 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 179' ' ' LYS . . . . . 0.593 ' O ' ' H61' ' A' ' 401' ' ' PCW . 17.3 ptmt -87.18 7.11 29.69 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.892 -0.594 . . . . 10.0 110.662 179.72 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 38.1 mttt -102.54 117.47 34.76 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.436 179.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.34 164.88 22.8 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.277 -0.42 . . . . 10.0 110.069 179.614 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 182' ' ' LYS . . . . . 0.675 ' HB2' ' O4 ' ' B' ' 210' ' ' 17F . 74.0 mttt -81.39 -74.69 0.32 Allowed 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 121.089 -0.245 . . . . 10.0 110.934 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 183' ' ' THR . . . . . 0.851 ' HA ' ' H73' ' A' ' 409' ' ' PCW . 8.3 m 50.12 80.97 0.07 Allowed 'General case' 0 N--CA 1.465 0.29 0 O-C-N 123.821 0.701 . . . . 10.0 112.001 179.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 184' ' ' LYS . . . . . 0.649 ' H ' ' H61' ' A' ' 409' ' ' PCW . 7.3 ttpt . . . . . 0 C--O 1.236 0.343 0 CA-C-N 116.021 -0.536 . . . . 10.0 111.541 -179.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 CA--C 1.532 0.268 0 CA-C-O 120.698 0.285 . . . . 10.0 111.285 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 2' ' ' THR . . . . . 0.479 ' HB ' ' CE2' ' C' ' 4' ' ' TYR . 0.2 OUTLIER -83.65 121.14 26.86 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.558 -0.292 . . . . 10.0 110.412 179.743 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -82.79 134.51 35.11 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.111 0.481 . . . . 10.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 4' ' ' TYR . . . . . 0.505 ' CD2' ' HB3' ' C' ' 51' ' ' CYS . 92.5 m-85 -129.03 109.87 11.58 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.654 -0.703 . . . . 10.0 109.533 179.304 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 5' ' ' LYS . . . . . 0.63 ' HB2' ' HG3' ' C' ' 76' ' ' GLU . 18.6 mtmm -86.27 115.09 23.59 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.225 -0.443 . . . . 10.0 111.581 -179.568 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . 0.489 HD13 HD23 ' C' ' 159' ' ' LEU . 68.2 mt -118.1 138.03 52.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.419 -0.355 . . . . 10.0 111.038 -179.441 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 61.9 t -117.97 131.98 69.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 116.22 -0.445 . . . . 10.0 110.049 179.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.605 HG12 ' HD2' ' C' ' 16' ' ' LYS . 3.0 t -93.21 110.89 23.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.065 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 11.2 m -109.99 144.51 18.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.125 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 152.81 160.0 9.38 Favored Glycine 0 N--CA 1.447 -0.604 0 N-CA-C 111.299 -0.72 . . . . 10.0 111.299 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.81 172.55 3.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.076 0.465 . . . . 10.0 111.724 -179.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -83.1 147.63 27.99 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.01 0.433 . . . . 10.0 110.659 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.46 -4.02 86.3 Favored Glycine 0 N--CA 1.45 -0.376 0 CA-C-N 115.909 -0.587 . . . . 10.0 113.543 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 12.6 m -80.51 -14.77 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 117.237 0.519 . . . . 10.0 112.28 -179.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . 0.579 ' HA2' ' H8 ' ' C' ' 201' ' ' GSP . . . 90.42 43.93 4.78 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.643 -0.789 . . . . 10.0 113.973 179.239 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . 0.605 ' HD2' HG12 ' C' ' 8' ' ' VAL . 31.4 mtmm -71.71 -53.03 14.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.855 0.359 . . . . 10.0 110.349 179.231 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 17' ' ' SER . . . . . 0.486 ' OG ' ' O3G' ' C' ' 201' ' ' GSP . 17.4 m -65.9 -29.96 70.48 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.55 -0.75 . . . . 10.0 111.604 -179.329 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.93 -42.92 72.85 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.829 0.347 . . . . 10.0 110.308 178.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 19' ' ' LEU . . . . . 0.774 HD23 ' HB2' ' C' ' 146' ' ' ALA . 32.3 mt -71.78 -39.18 70.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.541 179.689 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.72 -48.03 76.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.437 -0.347 . . . . 10.0 111.179 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 99.3 mt -64.54 -36.13 76.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.702 -179.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 22' ' ' GLN . . . . . 0.53 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 1.9 mm-40 -67.8 -20.47 65.19 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.066 0.46 . . . . 10.0 110.989 179.143 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 10.0 tp -91.79 -40.64 11.11 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.279 179.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 45.9 mm -77.8 -66.8 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.84 -0.618 . . . . 10.0 112.612 -179.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -93.43 -4.92 50.47 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.451 0.537 . . . . 10.0 112.451 -177.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 26' ' ' ASN . . . . . 0.53 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 42.6 m-80 58.24 52.73 7.13 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 113.832 1.049 . . . . 10.0 113.832 178.591 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 14.4 p80 -155.35 151.23 27.68 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 120.592 0.234 . . . . 10.0 110.966 178.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -96.48 131.23 43.28 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.149 -0.478 . . . . 10.0 111.272 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 9.4 m -99.11 129.18 49.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.281 179.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -99.44 -3.88 32.69 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.345 0.593 . . . . 10.0 110.198 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -98.05 122.88 41.72 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.529 -0.76 . . . . 10.0 110.279 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 32' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -63.01 122.02 15.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.016 -0.538 . . . . 10.0 111.936 -178.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -120.91 109.85 35.43 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.619 -0.719 . . . . 10.0 110.257 179.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -83.04 65.7 7.92 Favored 'Trans proline' 0 N--CA 1.456 -0.681 0 C-N-CA 123.157 2.571 . . . . 10.0 112.083 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 35' ' ' THR . . . . . 0.484 ' OG1' ' O3G' ' C' ' 201' ' ' GSP . 0.0 OUTLIER -70.93 122.33 19.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.994 0.426 . . . . 10.0 110.909 179.356 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . 0.772 ' HA ' ' HB2' ' C' ' 59' ' ' ALA . 31.6 mm -77.38 -41.92 30.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.791 -0.641 . . . . 10.0 110.14 179.606 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -163.22 102.08 0.96 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.355 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -127.38 120.13 27.79 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.205 -0.452 . . . . 10.0 110.678 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.72 148.3 22.24 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.339 -0.391 . . . . 10.0 111.389 -179.405 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -136.61 145.47 44.92 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.28 -0.418 . . . . 10.0 110.278 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . 0.426 ' HA ' ' O ' ' C' ' 53' ' ' LEU . 1.5 mpp_? -122.72 144.91 48.85 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 116.791 -0.186 . . . . 10.0 110.671 179.588 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 49.6 tttp -159.52 153.77 23.71 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.199 179.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -126.9 120.21 28.63 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.881 -0.415 . . . . 10.0 109.881 179.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 4.3 m -139.28 163.06 26.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 110.366 -0.235 . . . . 10.0 110.366 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 24.5 t -97.77 96.03 4.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.204 0.526 . . . . 10.0 109.785 179.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 46' ' ' ILE . . . . . 0.651 HD13 HG21 ' C' ' 160' ' ' VAL . 56.7 mt -94.5 115.31 33.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.649 -0.705 . . . . 10.0 111.31 -178.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 47' ' ' ASP . . . . . 0.997 ' HA ' ' HB2' ' B' ' 128' ' ' LYS . 28.1 m-20 63.13 16.55 9.45 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.072 -0.967 . . . . 10.0 112.277 179.582 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 106.99 -10.79 40.68 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.269 -0.967 . . . . 10.0 112.411 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -103.22 131.74 50.03 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 110.133 -0.321 . . . . 10.0 110.133 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.73 109.91 12.14 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.209 -1.034 . . . . 10.0 108.209 178.185 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 51' ' ' CYS . . . . . 0.505 ' HB3' ' CD2' ' C' ' 4' ' ' TYR . 2.7 m -107.93 150.91 26.49 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.15 0.5 . . . . 10.0 112.339 -178.03 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 32.1 tp -107.29 115.21 29.76 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 108.113 -1.069 . . . . 10.0 108.113 178.04 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . 0.426 ' O ' ' HA ' ' C' ' 41' ' ' ARG . 73.3 mt -89.89 127.27 35.97 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 113.035 0.754 . . . . 10.0 113.035 -177.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -121.64 79.5 1.56 Allowed 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 106.632 -1.618 . . . . 10.0 106.632 177.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 4.4 mt -87.34 143.42 11.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.365 -0.834 . . . . 10.0 111.778 -177.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 36.6 tp -127.44 110.57 12.9 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.872 -0.604 . . . . 10.0 110.845 179.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 57' ' ' ASP . . . . . 0.455 ' OD2' ' O3G' ' C' ' 201' ' ' GSP . 21.9 t70 -89.61 105.54 17.87 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.4 -0.593 . . . . 10.0 109.4 179.116 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 1.9 p -103.55 159.56 15.49 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.111 -0.495 . . . . 10.0 111.883 -179.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 59' ' ' ALA . . . . . 0.869 ' HA ' ' S1G' ' C' ' 201' ' ' GSP . . . -74.25 162.06 29.3 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.378 -179.468 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -127.41 33.47 3.29 Favored Glycine 0 N--CA 1.445 -0.704 0 N-CA-C 111.482 -0.647 . . . . 10.0 111.482 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -90.74 12.2 19.91 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.47 0.176 . . . . 10.0 111.222 -179.581 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 59.66 -164.11 0.22 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.975 -0.557 . . . . 10.0 111.434 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 70.3 -2.68 2.06 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 112.484 0.55 . . . . 10.0 112.484 179.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 64' ' ' TYR . . . . . 0.845 ' HB3' ' HB3' ' C' ' 67' ' ' MET . 19.9 m-85 -97.2 57.94 1.49 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.725 0.298 . . . . 10.0 110.793 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.6 -40.08 95.77 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.694 -0.684 . . . . 10.0 111.597 -179.218 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.02 -38.48 14.38 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.429 -0.351 . . . . 10.0 111.098 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 67' ' ' MET . . . . . 0.845 ' HB3' ' HB3' ' C' ' 64' ' ' TYR . 24.8 ttt -59.9 -40.94 90.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.368 -179.733 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 68' ' ' ARG . . . . . 0.481 ' HB2' ' O ' ' C' ' 64' ' ' TYR . 1.0 OUTLIER -59.44 -46.48 88.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.892 179.85 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -60.03 -30.16 68.99 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 115.765 -0.652 . . . . 10.0 112.036 -179.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -64.27 -60.02 3.7 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.478 0.547 . . . . 10.0 112.478 -179.192 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 71' ' ' TYR . . . . . 0.437 ' CZ ' ' HA ' ' C' ' 68' ' ' ARG . 24.5 p90 -77.42 -20.87 53.91 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 113.468 0.914 . . . . 10.0 113.468 -178.147 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 72' ' ' MET . . . . . 0.501 ' HA ' ' HZ ' ' C' ' 78' ' ' PHE . 33.0 mtt -66.39 -25.43 66.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.986 0.422 . . . . 10.0 111.361 179.505 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 73' ' ' ARG . . . . . 0.604 ' HG3' HG12 ' C' ' 103' ' ' VAL . 10.2 mtm180 -82.28 -29.25 31.29 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.813 179.05 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.81 -36.13 20.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.038 -0.528 . . . . 10.0 111.164 -179.304 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.87 130.55 36.36 Favored Glycine 0 N--CA 1.449 -0.458 0 CA-C-N 116.004 -0.544 . . . . 10.0 113.038 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . 0.63 ' HG3' ' HB2' ' C' ' 5' ' ' LYS . 29.6 mt-10 -92.29 -42.46 9.82 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.186 0.517 . . . . 10.0 110.029 179.722 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -120.69 138.53 12.84 Favored Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 110.378 -1.089 . . . . 10.0 110.378 178.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 78' ' ' PHE . . . . . 0.555 ' HB2' ' HG2' ' C' ' 111' ' ' MET . 80.9 m-85 -115.53 131.6 56.88 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.143 0.497 . . . . 10.0 111.865 -178.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 12.0 tp -103.49 104.08 14.11 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.606 -0.725 . . . . 10.0 109.975 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 3.8 m -84.19 99.36 10.48 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.791 -0.448 . . . . 10.0 109.791 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 81' ' ' VAL . . . . . . . . . . . . . 40.1 t -105.78 131.08 56.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 10.0 111.51 -179.069 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 82' ' ' PHE . . . . . 0.508 ' HB3' HD11 ' C' ' 93' ' ' ILE . 17.4 p90 -144.38 157.61 44.17 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.961 -0.563 . . . . 10.0 109.948 179.293 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -93.9 133.09 37.68 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.28 -0.418 . . . . 10.0 110.662 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 84' ' ' ILE . . . . . 0.557 HD12 ' HB3' ' C' ' 123' ' ' ARG . 20.7 pt -68.07 -12.15 15.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.36 -0.382 . . . . 10.0 111.662 -179.621 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 40.5 p30 -104.97 13.78 30.46 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.149 0.5 . . . . 10.0 110.492 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -134.92 95.81 3.4 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.136 179.445 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 87' ' ' THR . . . . . 0.409 ' O ' ' HG3' ' C' ' 91' ' ' GLU . 6.5 m -62.07 -28.15 69.4 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.964 -0.562 . . . . 10.0 111.044 -179.772 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 23.4 tptp -55.93 -54.08 49.09 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.55 179.224 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . 0.402 ' HA ' ' HB2' ' C' ' 92' ' ' ASP . 2.7 p -65.6 -23.0 66.72 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 116.311 -0.404 . . . . 10.0 111.671 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 90' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -68.27 -33.63 74.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.067 0.461 . . . . 10.0 110.036 179.238 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 91' ' ' GLU . . . . . 0.409 ' HG3' ' O ' ' C' ' 87' ' ' THR . 17.7 mt-10 -85.88 -21.07 28.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.178 179.45 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 92' ' ' ASP . . . . . 0.402 ' HB2' ' HA ' ' C' ' 89' ' ' SER . 2.1 m-20 -67.54 -29.19 68.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.536 -0.756 . . . . 10.0 110.763 179.334 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 93' ' ' ILE . . . . . 0.508 HD11 ' HB3' ' C' ' 82' ' ' PHE . 50.0 mm -52.31 -45.82 44.88 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.157 0 CA-C-N 115.895 -0.593 . . . . 10.0 111.123 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 42.9 t60 -59.09 -50.71 73.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 10.0 110.769 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 74.8 m-70 -56.0 -48.12 76.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.931 -0.577 . . . . 10.0 111.698 -179.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 96' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -65.06 -49.5 69.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.436 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 97' ' ' ARG . . . . . 0.464 ' O ' ' HG3' ' C' ' 101' ' ' LYS . 4.4 tmt_? -57.25 -48.31 79.16 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.068 -0.515 . . . . 10.0 111.951 -179.033 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . 0.505 ' HA ' ' HE2' ' C' ' 101' ' ' LYS . 12.8 mm-40 -66.46 -31.5 72.29 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.198 -0.455 . . . . 10.0 111.719 -179.346 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 99' ' ' GLN . . . . . 0.434 ' O ' HG23 ' C' ' 103' ' ' VAL . 46.9 tt0 -71.73 -42.19 67.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.682 0.277 . . . . 10.0 110.644 179.538 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 100' ' ' ILE . . . . . 0.465 HG21 HG11 ' C' ' 109' ' ' VAL . 75.6 mt -57.26 -43.23 81.62 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.619 179.679 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 101' ' ' LYS . . . . . 0.505 ' HE2' ' HA ' ' C' ' 98' ' ' GLU . 29.4 mtmt -59.54 -35.24 73.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.888 -0.596 . . . . 10.0 111.123 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 6.8 tmm_? -73.64 -45.28 53.69 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.037 -179.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 103' ' ' VAL . . . . . 0.604 HG12 ' HG3' ' C' ' 73' ' ' ARG . 36.9 t -64.47 -44.48 96.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.019 -0.537 . . . . 10.0 112.101 -179.272 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 104' ' ' LYS . . . . . 0.461 ' HD2' ' HE2' ' C' ' 78' ' ' PHE . 30.7 mtpp -88.36 -5.17 58.46 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.412 -179.415 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 30.2 t70 52.35 61.57 3.13 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.031 -0.531 . . . . 10.0 111.431 -179.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 43.5 t -169.31 131.82 1.22 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.736 -0.666 . . . . 10.0 110.65 -179.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.07 -22.81 58.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.431 0.634 . . . . 10.0 109.422 178.661 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -98.26 109.01 21.84 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.641 -0.708 . . . . 10.0 110.231 179.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 109' ' ' VAL . . . . . 0.465 HG11 HG21 ' C' ' 100' ' ' ILE . 94.0 t -136.44 127.08 16.47 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 115.781 -0.645 . . . . 10.0 109.665 -179.753 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -60.6 103.99 0.24 Allowed 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.661 2.241 . . . . 10.0 112.057 179.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 111' ' ' MET . . . . . 0.555 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 55.0 mtm -138.62 150.31 46.13 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.266 -179.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 86.1 t -130.75 133.97 62.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.013 -0.736 . . . . 10.0 109.013 178.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 12.7 tp -84.45 108.92 17.51 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.53 -0.545 . . . . 10.0 109.53 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 114' ' ' VAL . . . . . . . . . . . . . 59.7 t -104.48 116.33 48.07 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.479 -178.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -98.24 119.03 6.31 Favored Glycine 0 N--CA 1.443 -0.84 0 N-CA-C 110.128 -1.189 . . . . 10.0 110.128 178.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 67.3 t30 -105.15 164.87 11.49 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.796 0.298 . . . . 10.0 110.996 -179.096 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 117' ' ' LYS . . . . . 0.69 ' HG2' ' C6 ' ' C' ' 201' ' ' GSP . 89.4 mttt 67.79 28.38 7.15 Favored 'General case' 0 CA--C 1.522 -0.128 0 CA-C-N 115.36 -0.836 . . . . 10.0 112.004 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 118' ' ' CYS . . . . . 0.504 ' HA ' ' CD1' ' C' ' 84' ' ' ILE . 94.2 m -72.03 -16.34 62.05 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.81 0.67 . . . . 10.0 112.81 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -86.63 -3.8 59.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.76 0.314 . . . . 10.0 111.456 -179.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 120' ' ' LEU . . . . . 0.578 HD12 ' HB3' ' C' ' 117' ' ' LYS . 87.0 mt -88.22 133.2 37.36 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.243 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -63.8 144.94 90.05 Favored 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 122.361 2.041 . . . . 10.0 111.855 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 20.7 m 72.12 110.24 0.06 Allowed 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.839 -0.618 . . . . 10.0 111.964 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 123' ' ' ARG . . . . . 0.557 ' HB3' HD12 ' C' ' 84' ' ' ILE . 2.2 ptp180 -121.38 130.36 53.56 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.857 -0.61 . . . . 10.0 110.693 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -80.12 -34.93 37.41 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.242 0.544 . . . . 10.0 110.189 179.502 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 60.0 t -93.61 125.87 46.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.683 -0.689 . . . . 10.0 110.45 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -76.72 139.57 40.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.903 -0.59 . . . . 10.0 110.193 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 127' ' ' THR . . . . . . . . . . . . . 3.6 m -59.43 -45.51 91.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.442 -0.345 . . . . 10.0 111.014 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 128' ' ' LYS . . . . . 0.689 ' HD2' ' HA ' ' B' ' 46' ' ' ILE . 33.5 mtmm -65.04 -32.58 74.37 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.427 -179.145 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 129' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -65.74 -45.11 83.83 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.0 -0.545 . . . . 10.0 109.851 179.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -70.11 -35.07 73.87 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.789 -0.641 . . . . 10.0 110.385 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -65.34 -48.19 73.88 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.824 -0.625 . . . . 10.0 110.679 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -65.06 -36.48 84.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.432 . . . . 10.0 110.874 179.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 22.5 tp -65.44 -43.18 91.26 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 109.647 -0.501 . . . . 10.0 109.647 178.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.17 -34.77 78.83 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.376 -0.602 . . . . 10.0 109.376 178.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 7.0 tmm_? -62.47 -37.23 85.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.642 -0.708 . . . . 10.0 109.436 178.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 5.8 m -66.39 -40.13 89.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.781 -0.645 . . . . 10.0 111.022 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 137' ' ' TYR . . . . . 0.49 ' HB2' HG12 ' C' ' 139' ' ' ILE . 22.1 m-85 -76.9 -26.94 54.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.801 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 88.06 24.24 35.43 Favored Glycine 0 N--CA 1.45 -0.395 0 N-CA-C 111.21 -0.756 . . . . 10.0 111.21 -179.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 139' ' ' ILE . . . . . 0.49 HG12 ' HB2' ' C' ' 137' ' ' TYR . 47.0 pt -113.82 152.89 46.0 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 115.482 -0.359 . . . . 10.0 110.881 -179.534 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_exo -74.58 148.83 37.92 Favored 'Trans proline' 0 C--O 1.236 0.377 0 C-N-CA 122.91 2.407 . . . . 10.0 111.961 179.383 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 141' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -128.99 131.29 47.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.869 -0.605 . . . . 10.0 110.687 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 6.0 mt -139.52 127.62 26.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.169 -0.468 . . . . 10.0 111.098 179.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -76.83 132.18 39.05 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 108.818 -0.808 . . . . 10.0 108.818 177.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 11.0 p -137.67 178.5 7.06 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 113.76 1.022 . . . . 10.0 113.76 -178.046 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 11.0 t -167.42 118.4 0.87 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.084 -0.962 . . . . 10.0 109.017 179.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 146' ' ' ALA . . . . . 0.774 ' HB2' HD23 ' C' ' 19' ' ' LEU . . . -75.15 -31.57 61.07 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.335 0.494 . . . . 10.0 112.335 -178.657 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 147' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -65.98 -28.8 69.17 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.885 0.374 . . . . 10.0 111.647 -179.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 42.2 p -107.32 -3.89 19.19 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.793 0.33 . . . . 10.0 110.685 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 149' ' ' ARG . . . . . 0.411 ' HG3' HG21 ' C' ' 152' ' ' VAL . 0.2 OUTLIER 56.34 57.3 5.04 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 122.016 0.912 . . . . 10.0 110.953 -178.801 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -107.39 110.69 22.74 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.098 -0.955 . . . . 10.0 110.941 -179.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 64.96 29.23 74.83 Favored Glycine 0 CA--C 1.52 0.389 0 N-CA-C 114.528 0.571 . . . . 10.0 114.528 178.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 152' ' ' VAL . . . . . 0.411 HG21 ' HG3' ' C' ' 149' ' ' ARG . 29.6 t -66.36 -56.29 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.078 0.466 . . . . 10.0 109.947 179.734 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -67.07 -32.13 73.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.666 -0.697 . . . . 10.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 154' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -61.77 -46.24 90.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.057 -0.519 . . . . 10.0 111.913 -179.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -56.4 -44.91 80.74 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.92 0.39 . . . . 10.0 111.022 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 156' ' ' PHE . . . . . 0.518 ' O ' HG23 ' C' ' 160' ' ' VAL . 63.2 m-85 -69.08 -41.91 76.9 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.33 179.645 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 157' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -58.74 -43.07 90.12 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.191 0.519 . . . . 10.0 110.109 179.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 158' ' ' THR . . . . . . . . . . . . . 86.7 m -63.44 -39.54 94.76 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.615 -0.721 . . . . 10.0 111.603 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 159' ' ' LEU . . . . . 0.489 HD23 HD13 ' C' ' 6' ' ' LEU . 13.5 tp -63.05 -36.95 85.27 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-O 120.961 0.41 . . . . 10.0 111.244 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 160' ' ' VAL . . . . . 0.651 HG21 HD13 ' C' ' 46' ' ' ILE . 22.7 t -66.9 -36.2 76.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 N-CA-C 109.695 -0.483 . . . . 10.0 109.695 178.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 161' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -63.2 -38.77 92.49 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 115.717 -0.674 . . . . 10.0 110.253 179.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -66.15 -38.68 88.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.027 -0.533 . . . . 10.0 109.996 179.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 163' ' ' ILE . . . . . . . . . . . . . 82.5 mt -64.13 -48.07 87.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.162 178.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 44.2 mtt85 -65.78 -35.25 80.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.241 0.543 . . . . 10.0 109.621 179.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 165' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -62.69 -47.91 81.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.384 -0.826 . . . . 10.0 110.189 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 46.0 t-80 -59.17 -44.73 92.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 10.0 111.166 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -60.76 -45.25 95.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.485 -0.325 . . . . 10.0 111.356 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -68.75 -46.85 67.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.952 0.406 . . . . 10.0 111.141 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 169' ' ' LYS . . . . . 0.435 ' HB3' ' HE2' ' C' ' 169' ' ' LYS . 39.7 mtpt -63.45 -31.89 73.18 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.131 -0.486 . . . . 10.0 112.133 -179.183 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 6.3 mmt -73.27 -23.46 60.31 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 112.107 0.41 . . . . 10.0 112.107 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 44.0 m -75.16 -1.56 23.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.152 0.501 . . . . 10.0 111.204 179.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 172' ' ' LYS . . . . . . . . . . . . . 36.1 mtpt -105.37 -8.42 18.2 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.309 -0.626 . . . . 10.0 109.309 178.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 173' ' ' ASP . . . . . . . . . . . . . 1.3 t70 50.35 37.57 15.69 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 115.407 -0.815 . . . . 10.0 110.896 -178.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 174' ' ' GLY . . . . . . . . . . . . . . . 123.81 -105.93 0.93 Allowed Glycine 0 N--CA 1.442 -0.914 0 N-CA-C 109.974 -1.25 . . . . 10.0 109.974 -178.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 175' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -144.88 15.64 1.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.914 0.388 . . . . 10.0 111.426 179.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 176' ' ' LYS . . . . . . . . . . . . . 10.2 mmmt -91.86 99.41 12.28 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.187 -179.548 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 177' ' ' LYS . . . . . . . . . . . . . 5.0 mmtp -157.05 -62.07 0.09 Allowed 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.612 179.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 178' ' ' LYS . . . . . 0.425 ' HD3' ' HA ' ' C' ' 178' ' ' LYS . 12.8 tppt? 67.66 116.51 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.211 0 O-C-N 123.872 0.732 . . . . 10.0 112.536 179.306 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 179' ' ' LYS . . . . . 0.488 ' O ' ' H63' ' C' ' 212' ' ' PCW . 67.8 mttm -78.46 -57.66 3.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.0 -0.545 . . . . 10.0 111.421 -179.295 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 180' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -116.9 125.43 51.48 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.462 -0.336 . . . . 10.0 110.515 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.65 -60.68 2.22 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.982 -0.554 . . . . 10.0 111.429 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 182' ' ' LYS . . . . . . . . . . . . . 25.5 mttm -110.38 114.55 28.08 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.985 0.422 . . . . 10.0 111.549 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -133.82 23.84 3.95 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.846 -0.616 . . . . 10.0 110.414 179.255 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 184' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.264 -179.72 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 401' ' ' PCW . . . . . 0.948 ' C6 ' ' H2 ' ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 402' ' ' PCW . . . . . 1.089 H181 H211 ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 403' ' ' PCW . . . . . 1.108 H321 ' H51' ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 404' ' ' PCW . . . . . 1.106 ' C16' H421 ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 405' ' ' PCW . . . . . 0.939 H281 H221 ' A' ' 418' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 406' ' ' PCW . . . . . 1.108 ' H51' H321 ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 407' ' ' PCW . . . . . 1.102 ' H63' H371 ' A' ' 410' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 408' ' ' PCW . . . . . 1.01 H441 HD13 ' A' ' 239' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 409' ' ' PCW . . . . . 1.209 ' C19' H142 ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 410' ' ' PCW . . . . . 1.102 H371 ' H63' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 411' ' ' PCW . . . . . 0.946 ' C4 ' H322 ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 412' ' ' PCW . . . . . 0.821 H483 H251 ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 413' ' ' PCW . . . . . 1.091 H431 H232 ' C' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 414' ' ' PCW . . . . . 1.041 H181 H221 ' A' ' 414' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 415' ' ' 17F . . . . . 1.114 ' H61' ' H37' ' B' ' 209' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 416' ' ' 17F . . . . . 1.021 ' H57' H211 ' B' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 417' ' ' PCW . . . . . 1.06 H451 H242 ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 418' ' ' PCW . . . . . 1.023 H361 H131 ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 419' ' ' PCW . . . . . 1.044 ' H40' H441 ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 420' ' ' PCW . . . . . 1.065 H372 ' C43' ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 421' ' ' PCW . . . . . 1.096 ' C12' ' H9 ' ' D' ' 630' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 422' ' ' 17F . . . . . 1.006 ' H39' ' H71' ' C' ' 219' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 601' ' ' PCW . . . . . 0.974 H421 H461 ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 602' ' ' PCW . . . . . 0.983 H172 H212 ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 603' ' ' PCW . . . . . 0.997 H182 H222 ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 604' ' ' PCW . . . . . 1.007 H322 H122 ' D' ' 606' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 605' ' ' PCW . . . . . 0.975 ' C18' H362 ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 606' ' ' PCW . . . . . 1.007 H122 H322 ' D' ' 604' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 607' ' ' PCW . . . . . 1.031 H352 H372 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 608' ' ' PCW . . . . . 1.03 ' H41' H222 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 609' ' ' PCW . . . . . 1.105 H483 H472 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 610' ' ' PCW . . . . . 1.043 ' H63' ' H6A' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 611' ' ' PCW . . . . . 0.962 ' O11' ' H62' ' D' ' 617' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 612' ' ' PCW . . . . . 1.144 ' C32' H352 ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 613' ' ' PCW . . . . . 1.023 H131 H361 ' A' ' 418' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 614' ' ' PCW . . . . . 0.975 H362 ' C18' ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 615' ' ' PCW . . . . . 0.996 H461 H421 ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 616' ' ' PCW . . . . . 0.728 H161 H11A ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 617' ' ' PCW . . . . . 0.962 ' H62' ' O11' ' D' ' 611' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 618' ' ' PCW . . . . . 1.065 ' C43' H372 ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 619' ' ' PCW . . . . . 0.929 ' C38' H161 ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 620' ' ' PCW . . . . . 0.955 ' H63' ' H2 ' ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 621' ' ' PCW . . . . . 0.816 ' C4 ' ' H2 ' ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 622' ' ' PCW . . . . . 0.984 H481 ' H12' ' A' ' 422' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 623' ' ' PCW . . . . . 1.144 H352 ' C32' ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 624' ' ' PCW . . . . . 1.043 H242 H242 ' C' ' 217' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 625' ' ' PCW . . . . . 1.09 ' C41' H412 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 626' ' ' PCW . . . . . 1.09 H412 ' C41' ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 627' ' ' PCW . . . . . 1.098 ' H20' ' C35' ' C' ' 217' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 628' ' ' 17F . . . . . 1.047 ' H57' H19A ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 629' ' ' 17F . . . . . 0.974 ' C2X' H262 ' D' ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 630' ' ' 17F . . . . . 1.096 ' H9 ' ' C12' ' A' ' 421' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 631' ' ' 17F . . . . . 1.043 ' H6A' ' H63' ' D' ' 610' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 632' ' ' 17F . . . . . 0.997 ' H71' ' H65' ' A' ' 422' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 201' ' ' GSP . . . . . 0.691 ' S1G' ' HA ' ' B' ' 34' ' ' PRO . . . . . . . . 0 O4'--C1' 1.436 1.838 2 O4'-C1'-N19 113.094 4.894 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 202' ' ' ' MG' . . . . . 0.642 'MG ' ' O3G' ' B' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 203' ' ' PCW . . . . . 1.017 H461 ' H51' ' C' ' 215' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 204' ' ' PCW . . . . . 1.021 H211 ' H57' ' A' ' 416' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 205' ' ' PCW . . . . . 1.028 H322 H361 ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 206' ' ' PCW . . . . . 0.885 H231 H151 ' C' ' 205' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 207' ' ' PCW . . . . . 1.066 H132 H332 ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 208' ' ' PCW . . . . . 1.136 ' H40' H271 ' C' ' 216' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 209' ' ' 17F . . . . . 1.114 ' H37' ' H61' ' A' ' 415' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 210' ' ' 17F . . . . . 0.991 H19A ' H19' ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 211' ' ' 17F . . . . . 1.067 ' H77' ' H31' ' A' ' 406' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 201' ' ' GSP . . . . . 0.869 ' S1G' ' HA ' ' C' ' 59' ' ' ALA . . . . . . . . 0 O4'--C1' 1.438 1.984 2 O4'-C1'-N19 113.464 5.264 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 202' ' ' ' MG' . . . . . 0.597 'MG ' ' O3G' ' C' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 203' ' ' PCW . . . . . 1.058 H132 H171 ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 204' ' ' PCW . . . . . 0.959 H461 H421 ' C' ' 204' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 205' ' ' PCW . . . . . 0.885 H151 H231 ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 206' ' ' PCW . . . . . 1.11 H242 H411 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 207' ' ' PCW . . . . . 1.081 H471 H282 ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 208' ' ' PCW . . . . . 1.11 H411 H242 ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 209' ' ' PCW . . . . . 1.071 ' O4P' ' H32' ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 210' ' ' PCW . . . . . 1.091 H232 H431 ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 211' ' ' PCW . . . . . 1.046 ' H12' ' C5 ' ' C' ' 211' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 212' ' ' PCW . . . . . 0.991 H241 ' H20' ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 213' ' ' 17F . . . . . 1.041 ' H31' ' H19' ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 214' ' ' 17F . . . . . 1.09 ' H75' H442 ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 215' ' ' 17F . . . . . 1.017 ' H51' H461 ' B' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 216' ' ' PCW . . . . . 1.136 H271 ' H40' ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 217' ' ' PCW . . . . . 1.098 ' C35' ' H20' ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 218' ' ' 17F . . . . . 0.98 ' H49' H452 ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 219' ' ' 17F . . . . . 1.037 ' H59' H12A ' C' ' 219' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 38.5 mt . . . . . 0 N--CA 1.455 -0.222 0 N-CA-C 110.052 -0.351 . . . . 10.0 110.052 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 5.1 tmtm? -63.24 -47.26 83.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.796 -0.638 . . . . 10.0 111.356 -179.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 203' ' ' LEU . . . . . 0.428 ' O ' ' HB2' ' A' ' 207' ' ' TRP . 36.7 mt -62.59 -36.09 81.59 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.201 0.445 . . . . 10.0 112.201 -179.352 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 71.5 mt -74.99 -52.53 10.89 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.786 0.327 . . . . 10.0 110.968 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 205' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -57.82 -44.22 86.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.73 -0.668 . . . . 10.0 112.118 -179.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -74.38 -18.18 60.71 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.071 0.463 . . . . 10.0 111.76 -179.63 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 207' ' ' TRP . . . . . 0.428 ' HB2' ' O ' ' A' ' 203' ' ' LEU . 35.6 t90 -77.67 -28.94 51.32 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.068 0.461 . . . . 10.0 110.146 179.637 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -63.61 -36.71 84.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.682 179.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.67 -39.4 94.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.342 179.607 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 40.1 t -68.7 -43.3 83.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 109.53 -0.545 . . . . 10.0 109.53 179.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 23.0 m -61.94 -44.86 95.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.364 -0.835 . . . . 10.0 111.51 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 4.2 p -64.25 -35.51 81.06 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.87 0.367 . . . . 10.0 110.51 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 30.7 m -64.32 -47.28 79.99 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 108.962 -0.755 . . . . 10.0 108.962 178.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -60.85 -38.77 86.68 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.152 -0.476 . . . . 10.0 111.201 179.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 215' ' ' SER . . . . . 0.479 ' O ' ' HG3' ' A' ' 219' ' ' GLU . 60.5 m -62.35 -49.42 75.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.787 0.327 . . . . 10.0 110.412 178.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 216' ' ' LYS . . . . . . . . . . . . . 41.9 mttt -65.52 -35.25 80.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.893 0.378 . . . . 10.0 110.33 179.114 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 217' ' ' LEU . . . . . 0.704 HD11 H251 ' A' ' 405' ' ' PCW . 58.9 mt -63.11 -40.92 99.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 10.0 109.916 178.534 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 218' ' ' ARG . . . . . . . . . . . . . 78.3 mtt180 -67.89 -34.78 77.31 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.521 -0.309 . . . . 10.0 110.506 179.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 219' ' ' GLU . . . . . 0.479 ' HG3' ' O ' ' A' ' 215' ' ' SER . 55.3 mt-10 -66.52 -31.44 72.17 Favored 'General case' 0 C--O 1.225 -0.219 0 N-CA-C 108.969 -0.752 . . . . 10.0 108.969 178.589 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -82.28 -31.1 30.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.354 -0.839 . . . . 10.0 109.737 178.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 221' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 217' ' ' LEU . 38.9 mt -59.29 -33.73 71.44 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.426 179.607 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -53.87 -67.03 2.36 Favored Glycine 0 C--N 1.335 0.493 0 N-CA-C 110.717 -0.953 . . . . 10.0 110.717 177.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 223' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -56.44 -42.12 68.96 Favored 'Trans proline' 0 N--CA 1.464 -0.252 0 C-N-CA 122.475 2.117 . . . . 10.0 110.87 177.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 15.5 t -53.74 -51.42 44.04 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.145 0 CA-C-N 116.552 -0.295 . . . . 10.0 111.152 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 17.7 p -66.5 -37.4 84.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.737 0.303 . . . . 10.0 110.739 179.183 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -63.54 -52.88 59.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.413 -0.358 . . . . 10.0 110.75 179.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -60.53 -44.22 96.3 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.339 0.59 . . . . 10.0 109.9 179.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 228' ' ' PHE . . . . . 0.582 ' O ' ' HG ' ' A' ' 232' ' ' LEU . 3.6 t80 -63.17 -48.07 79.95 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.567 -0.742 . . . . 10.0 110.77 179.571 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 229' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -62.48 -39.35 93.17 Favored 'General case' 0 C--N 1.331 -0.219 0 O-C-N 123.435 0.46 . . . . 10.0 110.284 179.61 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 230' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -61.07 -45.65 93.9 Favored 'General case' 0 C--O 1.237 0.417 0 N-CA-C 109.141 -0.688 . . . . 10.0 109.141 178.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -64.26 -40.64 96.42 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.463 -0.79 . . . . 10.0 109.612 178.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 232' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' ' 228' ' ' PHE . 95.8 mt -61.78 -35.94 79.61 Favored 'General case' 0 N--CA 1.461 0.086 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.152 178.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 233' ' ' GLU . . . . . 0.519 ' O ' ' HB2' ' A' ' 237' ' ' GLU . 9.9 mm-40 -63.55 -37.89 89.04 Favored 'General case' 0 CA--C 1.52 -0.19 0 N-CA-C 109.765 -0.458 . . . . 10.0 109.765 178.397 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 234' ' ' LYS . . . . . . . . . . . . . 68.6 mttt -73.49 -37.89 65.58 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.529 -0.545 . . . . 10.0 109.529 178.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.62 -46.83 83.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.521 -0.763 . . . . 10.0 109.871 179.544 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 236' ' ' THR . . . . . . . . . . . . . 21.4 p -72.18 -28.41 63.2 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.888 -0.596 . . . . 10.0 110.343 179.156 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 237' ' ' GLU . . . . . 0.519 ' HB2' ' O ' ' A' ' 233' ' ' GLU . 0.5 OUTLIER -62.86 -45.63 91.67 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 108.506 -0.924 . . . . 10.0 108.506 178.538 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . -63.01 -41.77 99.82 Favored Glycine 0 N--CA 1.44 -1.05 0 N-CA-C 110.287 -1.125 . . . . 10.0 110.287 178.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 87.4 mt -64.52 -38.12 89.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.66 0.267 . . . . 10.0 110.479 179.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 18.8 mtm180 -65.69 -38.42 89.2 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 110.097 -0.335 . . . . 10.0 110.097 178.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 241' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -69.23 -39.95 78.22 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.227 -0.657 . . . . 10.0 109.227 178.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 242' ' ' GLU . . . . . 0.431 ' HA ' ' HD2' ' A' ' 245' ' ' LYS . 4.6 mt-10 -73.62 -18.76 61.01 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.685 -0.689 . . . . 10.0 111.001 179.562 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 243' ' ' MET . . . . . 0.555 ' HG3' HD12 ' A' ' 247' ' ' LEU . 42.6 ttm -62.59 -30.3 71.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.374 0.607 . . . . 10.0 109.476 178.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.41 4.55 20.52 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.513 -0.767 . . . . 10.0 110.335 179.121 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 245' ' ' LYS . . . . . 0.431 ' HD2' ' HA ' ' A' ' 242' ' ' GLU . 41.4 mttm -127.15 -63.87 1.03 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.343 -0.39 . . . . 10.0 110.179 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 246' ' ' ASP . . . . . 0.57 ' HA ' ' NH1' ' D' ' 528' ' ' ARG . 0.6 OUTLIER -51.47 -50.08 60.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.465 -0.789 . . . . 10.0 111.667 -179.377 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 247' ' ' LEU . . . . . 0.555 HD12 ' HG3' ' A' ' 243' ' ' MET . 94.6 mt -87.07 -37.0 17.83 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.428 0.529 . . . . 10.0 112.428 -179.495 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 248' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -65.88 -51.53 57.98 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.795 0.331 . . . . 10.0 111.472 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 249' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -68.64 -33.93 74.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.525 -0.307 . . . . 10.0 111.215 -179.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 250' ' ' VAL . . . . . 0.715 HG21 H271 ' A' ' 412' ' ' PCW . 1.1 p -64.25 -33.81 64.98 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.169 0 C-N-CA 120.394 -0.522 . . . . 10.0 110.192 179.273 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . 0.47 ' O ' HG12 ' A' ' 254' ' ' VAL . 84.2 mttt -82.3 -40.75 21.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.556 179.372 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -62.04 -37.55 85.35 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.761 -0.459 . . . . 10.0 109.761 179.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 253' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -89.08 -18.56 27.02 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.627 -0.715 . . . . 10.0 111.732 179.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 254' ' ' VAL . . . . . 0.703 ' HB ' ' O ' ' A' ' 250' ' ' VAL . 0.4 OUTLIER -64.83 -27.54 42.7 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 C-N-CA 120.753 -0.379 . . . . 10.0 110.74 -179.594 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 255' ' ' GLN . . . . . 0.47 ' HB2' ' CD ' ' A' ' 256' ' ' PRO . 68.7 mt-30 -65.67 -62.02 5.0 Favored Pre-proline 0 CA--C 1.535 0.368 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.625 178.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 256' ' ' PRO . . . . . 0.47 ' CD ' ' HB2' ' A' ' 255' ' ' GLN . 18.8 Cg_endo -61.77 -34.71 82.4 Favored 'Trans proline' 0 C--N 1.356 0.958 0 C-N-CA 121.69 1.593 . . . . 10.0 111.528 178.458 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 257' ' ' TYR . . . . . . . . . . . . . 6.2 m-30 -62.23 -51.27 68.44 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.928 0.394 . . . . 10.0 110.474 179.379 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 22.9 mt -69.3 -39.46 78.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.953 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 259' ' ' ASP . . . . . 0.561 ' O ' ' HB2' ' A' ' 263' ' ' LYS . 32.1 t70 -60.77 -45.42 94.4 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.346 -0.388 . . . . 10.0 110.528 179.615 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 260' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -66.85 -50.64 61.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.223 -0.444 . . . . 10.0 111.211 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 261' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -63.89 -48.04 78.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.291 -0.413 . . . . 10.0 112.104 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 262' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -64.0 -30.59 71.65 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.6 0.238 . . . . 10.0 110.444 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 263' ' ' LYS . . . . . 0.561 ' HB2' ' O ' ' A' ' 259' ' ' ASP . 23.1 ttmt -63.18 -47.72 81.41 Favored 'General case' 0 CA--C 1.52 -0.195 0 N-CA-C 109.048 -0.723 . . . . 10.0 109.048 178.447 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 264' ' ' LYS . . . . . 0.593 ' HE2' ' HB1' ' D' ' 509' ' ' ALA . 70.5 mttt -69.51 -39.17 77.74 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.182 -0.917 . . . . 10.0 110.395 178.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 20.7 m95 -64.17 -36.02 82.68 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.484 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 266' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -63.74 -43.65 95.84 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 108.741 -0.837 . . . . 10.0 108.741 177.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 267' ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' A' ' 263' ' ' LYS . 39.3 mt-10 -64.16 -39.35 93.82 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 109.079 -0.712 . . . . 10.0 109.079 178.317 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 268' ' ' GLU . . . . . 0.522 ' OE1' ' HD3' ' D' ' 506' ' ' ARG . 11.6 mt-10 -58.64 -45.45 89.24 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.936 -0.574 . . . . 10.0 109.499 178.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 269' ' ' MET . . . . . . . . . . . . . 92.3 mmm -68.44 -43.14 77.72 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.513 -0.767 . . . . 10.0 110.613 179.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 270' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -60.59 -53.52 56.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.297 -0.41 . . . . 10.0 110.155 179.183 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 32.7 mt -59.33 -38.92 81.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.339 -0.391 . . . . 10.0 110.417 179.384 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 272' ' ' TYR . . . . . 0.425 ' O ' HG23 ' A' ' 276' ' ' VAL . 0.1 OUTLIER -61.2 -50.65 72.28 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.128 178.894 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 273' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -66.58 -31.09 71.57 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.326 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 274' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 -67.79 -24.34 65.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.171 0.51 . . . . 10.0 109.954 178.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 275' ' ' LYS . . . . . 0.563 ' O ' ' HG ' ' A' ' 279' ' ' LEU . 10.2 mptt -96.31 -38.8 9.94 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.564 -0.743 . . . . 10.0 110.322 178.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 276' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 272' ' ' TYR . 13.9 t -48.71 -49.21 14.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 N-CA-C 112.685 0.624 . . . . 10.0 112.685 -179.262 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 69.0 mt-10 -58.52 -60.71 9.45 Favored Pre-proline 0 CA--C 1.537 0.468 0 N-CA-C 113.427 0.899 . . . . 10.0 113.427 -179.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -63.37 -39.91 34.64 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 121.893 1.729 . . . . 10.0 112.466 179.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 279' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 275' ' ' LYS . 37.7 mt -65.4 -41.22 93.86 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 121.209 -0.196 . . . . 10.0 110.961 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 -64.85 -32.16 73.72 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.35 -0.611 . . . . 10.0 109.35 178.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 281' ' ' ALA . . . . . . . . . . . . . . . -65.45 -44.07 88.41 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.298 -0.63 . . . . 10.0 109.298 178.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -63.18 -46.21 88.17 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 115.59 -0.732 . . . . 10.0 109.235 178.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 283' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 279' ' ' LEU . 81.1 mt -66.02 -31.57 72.53 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.665 179.482 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 284' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -67.07 -48.66 67.56 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 109.2 -0.667 . . . . 10.0 109.2 179.117 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 285' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -67.12 -40.04 86.75 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.406 -0.59 . . . . 10.0 109.406 178.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 286' ' ' GLY . . . . . . . . . . . . . . . -61.33 -46.05 95.22 Favored Glycine 0 N--CA 1.443 -0.887 0 N-CA-C 110.577 -1.009 . . . . 10.0 110.577 178.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 287' ' ' ALA . . . . . . . . . . . . . . . -64.04 -38.76 92.23 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.845 -0.428 . . . . 10.0 109.845 178.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -58.26 -55.54 33.62 Favored 'General case' 0 C--O 1.223 -0.327 0 N-CA-C 109.447 -0.575 . . . . 10.0 109.447 178.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 289' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -60.95 -48.13 83.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.774 -0.648 . . . . 10.0 111.583 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 290' ' ' LYS . . . . . . . . . . . . . 50.5 mttp -59.48 -42.39 91.99 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.646 0.26 . . . . 10.0 111.622 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 291' ' ' LEU . . . . . . . . . . . . . 81.0 mt -74.99 -36.4 62.0 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.447 -0.342 . . . . 10.0 110.71 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 292' ' ' HIS . . . . . 0.572 ' O ' ' HG2' ' A' ' 296' ' ' GLU . 13.3 m170 -62.93 -46.64 86.84 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 109.387 -0.597 . . . . 10.0 109.387 178.718 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.81 -38.5 82.14 Favored 'General case' 0 N--CA 1.456 -0.165 0 O-C-N 123.739 0.649 . . . . 10.0 109.748 178.397 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 19.7 mt -65.44 -46.9 78.06 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 115.912 -0.586 . . . . 10.0 109.933 178.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 295' ' ' GLN . . . . . 0.491 ' HA ' ' HB2' ' A' ' 298' ' ' LEU . 40.6 mt-30 -64.23 -30.63 71.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.162 -0.472 . . . . 10.0 111.244 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 296' ' ' GLU . . . . . 0.572 ' HG2' ' O ' ' A' ' 292' ' ' HIS . 34.9 mm-40 -63.38 -19.41 64.63 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.059 -0.518 . . . . 10.0 110.069 178.36 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . 0.57 ' HB3' HD12 ' A' ' 301' ' ' LEU . 32.8 mmtp -107.08 -38.19 6.09 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.638 -0.71 . . . . 10.0 110.191 178.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 298' ' ' LEU . . . . . 0.491 ' HB2' ' HA ' ' A' ' 295' ' ' GLN . 72.5 mt -55.52 -27.03 46.33 Favored 'General case' 0 N--CA 1.462 0.161 0 C-N-CA 122.537 0.335 . . . . 10.0 111.851 -179.69 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 299' ' ' SER . . . . . 0.474 ' HB2' ' HD3' ' A' ' 300' ' ' PRO . 5.0 m -79.31 -64.86 0.32 Allowed Pre-proline 0 CA--C 1.54 0.594 0 N-CA-C 111.887 0.328 . . . . 10.0 111.887 179.344 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 300' ' ' PRO . . . . . 0.474 ' HD3' ' HB2' ' A' ' 299' ' ' SER . 34.2 Cg_endo -63.57 -43.82 16.05 Favored 'Trans proline' 0 C--N 1.355 0.904 0 C-N-CA 122.164 1.909 . . . . 10.0 112.183 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 301' ' ' LEU . . . . . 0.92 ' HB3' ' HE3' ' D' ' 473' ' ' LYS . 80.8 mt -71.99 -27.69 62.92 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.76 -0.459 . . . . 10.0 109.76 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 302' ' ' GLY . . . . . 0.442 ' O ' ' HG3' ' A' ' 306' ' ' ARG . . . -69.68 -52.88 18.34 Favored Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 111.087 -0.805 . . . . 10.0 111.087 179.265 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -61.97 -39.14 91.13 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 109.33 -0.618 . . . . 10.0 109.33 179.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 304' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -63.73 -39.18 93.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.52 -0.764 . . . . 10.0 109.781 178.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 305' ' ' MET . . . . . . . . . . . . . 8.2 tpt -65.68 -39.19 91.05 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.816 -0.438 . . . . 10.0 109.816 179.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 306' ' ' ARG . . . . . 0.454 ' O ' ' HG3' ' A' ' 310' ' ' ARG . 45.3 mtt180 -68.26 -43.14 78.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.881 -0.599 . . . . 10.0 109.643 179.027 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 307' ' ' ASP . . . . . 0.469 ' O ' ' HB2' ' A' ' 310' ' ' ARG . 21.9 t70 -64.68 -43.25 94.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.801 -0.636 . . . . 10.0 110.417 179.172 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 308' ' ' ARG . . . . . 0.658 ' HG3' HD21 ' D' ' 469' ' ' LEU . 7.6 mmt180 -65.2 -35.09 79.98 Favored 'General case' 0 CA--C 1.517 -0.307 0 N-CA-C 109.423 -0.584 . . . . 10.0 109.423 178.544 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 309' ' ' ALA . . . . . 0.576 ' HA ' ' HB2' ' A' ' 312' ' ' HIS . . . -68.24 -31.82 71.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.743 -0.662 . . . . 10.0 109.447 178.15 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 310' ' ' ARG . . . . . 0.524 ' O ' ' HB2' ' A' ' 314' ' ' ASP . 71.7 mtt180 -60.47 -51.48 69.29 Favored 'General case' 0 C--O 1.224 -0.27 0 N-CA-C 108.792 -0.818 . . . . 10.0 108.792 178.371 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -67.25 -34.25 77.05 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.065 -0.516 . . . . 10.0 109.93 179.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 312' ' ' HIS . . . . . 0.576 ' HB2' ' HA ' ' A' ' 309' ' ' ALA . 0.1 OUTLIER -58.69 -53.09 62.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.408 -0.815 . . . . 10.0 110.07 178.894 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 26.3 t -76.64 -35.25 25.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.72 -0.673 . . . . 10.0 111.852 -179.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 314' ' ' ASP . . . . . 0.524 ' HB2' ' O ' ' A' ' 310' ' ' ARG . 0.4 OUTLIER -61.1 -43.13 99.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.931 0.396 . . . . 10.0 110.002 179.257 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -66.77 -35.53 80.3 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 109.194 -0.669 . . . . 10.0 109.194 178.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 316' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 316' ' ' LEU . 17.2 mt -65.3 -47.11 77.74 Favored 'General case' 0 C--O 1.224 -0.248 0 CA-C-N 115.625 -0.716 . . . . 10.0 109.742 178.492 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 317' ' ' ARG . . . . . . . . . . . . . 12.2 mtm105 -61.37 -41.6 97.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.126 0.488 . . . . 10.0 110.147 178.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 318' ' ' THR . . . . . . . . . . . . . 93.7 m -60.85 -32.64 72.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.628 -0.715 . . . . 10.0 110.6 179.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 319' ' ' HIS . . . . . . . . . . . . . 12.2 m80 -87.31 -38.12 16.54 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.275 -0.42 . . . . 10.0 111.024 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 72.9 mt -67.14 -34.52 77.75 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.291 0.478 . . . . 10.0 112.291 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 321' ' ' ALA . . . . . 0.432 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . . . -52.64 -59.24 9.2 Favored Pre-proline 0 CA--C 1.537 0.451 0 N-CA-C 112.466 0.543 . . . . 10.0 112.466 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . 0.432 ' HD3' ' HB3' ' A' ' 321' ' ' ALA . 44.2 Cg_endo -70.73 -36.36 8.34 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 121.495 1.463 . . . . 10.0 111.422 179.016 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 323' ' ' TYR . . . . . 0.533 ' OH ' ' HB2' ' D' ' 454' ' ' PRO . 11.0 m-30 -60.15 -45.37 93.3 Favored 'General case' 0 C--N 1.334 -0.086 0 CA-C-N 116.455 -0.339 . . . . 10.0 111.703 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 23.2 p -65.18 -36.01 82.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.785 0.326 . . . . 10.0 110.5 179.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 325' ' ' ASP . . . . . 0.71 ' HA ' ' HD2' ' A' ' 328' ' ' ARG . 0.4 OUTLIER -67.91 -43.41 79.3 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-O 121.02 0.438 . . . . 10.0 110.204 179.168 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -67.41 -31.77 72.21 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.349 -0.612 . . . . 10.0 109.349 178.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 12.3 mt -66.3 -35.56 80.71 Favored 'General case' 0 CA--C 1.519 -0.236 0 N-CA-C 109.116 -0.698 . . . . 10.0 109.116 177.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 328' ' ' ARG . . . . . 0.71 ' HD2' ' HA ' ' A' ' 325' ' ' ASP . 86.3 mtt180 -62.89 -40.37 97.32 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.688 -0.856 . . . . 10.0 108.688 178.311 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 329' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -67.09 -39.36 86.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.471 -0.786 . . . . 10.0 109.381 178.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 330' ' ' ARG . . . . . 0.548 HH21 ' HB3' ' D' ' 447' ' ' GLU . 46.0 mtt-85 -62.38 -54.33 41.92 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 115.815 -0.63 . . . . 10.0 110.016 179.082 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 86.1 mt -60.56 -35.75 76.82 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.651 -0.704 . . . . 10.0 111.292 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 332' ' ' ALA . . . . . . . . . . . . . . . -63.59 -51.46 65.2 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.017 179.057 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -60.91 -42.18 97.57 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.274 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 334' ' ' ARG . . . . . . . . . . . . . 27.1 mmt180 -61.03 -49.64 76.59 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-N 115.753 -0.658 . . . . 10.0 109.86 178.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 16.4 mt -59.37 -43.51 92.86 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 116.27 -0.423 . . . . 10.0 111.433 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -63.79 -43.55 95.98 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.472 -0.331 . . . . 10.0 111.047 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 337' ' ' ALA . . . . . . . . . . . . . . . -65.51 -42.75 91.72 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.555 -0.535 . . . . 10.0 109.555 178.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 80.0 mt -65.36 -26.19 67.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.425 -0.807 . . . . 10.0 110.786 179.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 71.3 mttt -82.2 -49.53 10.02 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.847 -0.161 . . . . 10.0 110.86 179.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -59.56 -51.57 69.28 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.159 0.504 . . . . 10.0 110.072 179.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -73.23 -31.3 64.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.795 -0.639 . . . . 10.0 109.8 179.234 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -62.67 -44.64 97.22 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 121.088 -0.577 . . . . 10.0 111.903 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 343' ' ' GLY . . . . . . . . . . . . . . . -62.95 -39.23 97.8 Favored Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 110.483 -1.047 . . . . 10.0 110.483 178.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 344' ' ' ALA . . . . . . . . . . . . . . . -65.11 -41.77 94.59 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.705 -0.48 . . . . 10.0 109.705 178.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 345' ' ' ARG . . . . . 0.449 HH11 ' HD3' ' A' ' 345' ' ' ARG . 23.3 mtm180 -65.52 -45.32 83.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.568 -0.742 . . . . 10.0 110.754 179.226 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 346' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 346' ' ' LEU . 22.0 mt -59.66 -49.59 77.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.416 -0.356 . . . . 10.0 110.615 179.376 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.88 -41.44 87.13 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.303 179.237 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -65.48 -45.01 85.31 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.563 179.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -66.25 -37.17 84.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.344 -0.389 . . . . 10.0 111.046 179.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 350' ' ' HIS . . . . . . . . . . . . . 32.0 m-70 -63.86 -41.01 97.88 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.201 -0.666 . . . . 10.0 109.201 178.22 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -67.94 -44.97 75.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.861 -0.609 . . . . 10.0 109.605 178.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 12.8 mtmm -60.52 -40.41 91.32 Favored 'General case' 0 C--O 1.226 -0.182 0 CA-C-N 116.049 -0.523 . . . . 10.0 110.172 179.004 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -62.68 -34.34 76.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.214 -0.448 . . . . 10.0 109.957 178.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 354' ' ' THR . . . . . . . . . . . . . 12.8 m -68.31 -37.59 80.74 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.032 -0.729 . . . . 10.0 109.032 178.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -68.94 -34.61 75.64 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.404 -0.591 . . . . 10.0 109.404 178.158 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -73.08 -29.58 63.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.646 -0.706 . . . . 10.0 109.549 178.371 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 17.9 mt -71.27 -41.99 69.33 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.924 -0.58 . . . . 10.0 111.358 179.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.49 -45.48 92.84 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.005 0.431 . . . . 10.0 110.043 179.605 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 1.9 p -71.26 -29.96 65.72 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.065 179.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 38.7 tp -68.62 -35.01 76.74 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 108.887 -0.783 . . . . 10.0 108.887 177.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 49.5 m -63.03 -32.0 73.27 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.807 -0.633 . . . . 10.0 109.775 178.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 362' ' ' GLU . . . . . 0.442 ' HA ' ' HD2' ' A' ' 366' ' ' PRO . 5.3 mm-40 -70.63 -20.55 62.72 Favored 'General case' 0 CA--C 1.522 -0.1 0 CA-C-N 115.96 -0.563 . . . . 10.0 109.681 178.699 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 363' ' ' LYS . . . . . 0.692 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 89.3 mttt -91.68 -46.94 7.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.719 -0.673 . . . . 10.0 109.6 179.196 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 364' ' ' ALA . . . . . 0.516 ' HA ' HD12 ' A' ' 368' ' ' LEU . . . -67.19 -31.11 71.29 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.681 -0.69 . . . . 10.0 112.388 -179.54 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 365' ' ' LYS . . . . . 0.803 ' HB2' ' HD3' ' A' ' 366' ' ' PRO . 51.0 mtmt -102.66 -79.2 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.509 0 N-CA-C 113.867 1.062 . . . . 10.0 113.867 -179.687 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 366' ' ' PRO . . . . . 0.803 ' HD3' ' HB2' ' A' ' 365' ' ' LYS . 32.2 Cg_exo -59.15 -53.27 3.76 Favored 'Trans proline' 0 C--N 1.356 0.923 0 C-N-CA 122.101 1.867 . . . . 10.0 114.052 -178.667 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 367' ' ' ALA . . . . . 0.692 ' HB3' ' HA ' ' A' ' 363' ' ' LYS . . . -58.87 -53.52 57.48 Favored 'General case' 0 C--N 1.333 -0.135 0 N-CA-C 111.541 0.2 . . . . 10.0 111.541 -179.433 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 368' ' ' LEU . . . . . 0.516 HD12 ' HA ' ' A' ' 364' ' ' ALA . 10.6 mt -60.63 -37.36 81.22 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-N 116.703 -0.226 . . . . 10.0 111.035 179.624 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.8 -53.18 60.98 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.826 -0.435 . . . . 10.0 109.826 178.657 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -59.78 -40.35 87.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.732 -0.667 . . . . 10.0 110.334 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 96.1 mt -66.46 -41.36 89.17 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.784 -0.644 . . . . 10.0 110.765 179.194 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 372' ' ' ARG . . . . . 0.45 ' O ' ' HG ' ' A' ' 376' ' ' LEU . 89.4 mtt180 -66.82 -44.59 80.78 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.834 -0.432 . . . . 10.0 109.834 179.279 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 373' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -63.92 -29.32 70.51 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.58 -0.737 . . . . 10.0 110.129 179.234 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 374' ' ' GLY . . . . . 0.401 ' O ' HG23 ' A' ' 378' ' ' VAL . . . -83.15 -28.78 35.89 Favored Glycine 0 N--CA 1.449 -0.461 0 N-CA-C 110.981 -0.848 . . . . 10.0 110.981 178.59 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 9.3 mt -73.45 -28.3 61.88 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 122.24 0.216 . . . . 10.0 111.009 179.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 376' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 372' ' ' ARG . 71.6 mt -53.61 -59.78 8.72 Favored Pre-proline 0 CA--C 1.534 0.356 0 CA-C-N 116.158 -0.474 . . . . 10.0 111.148 179.429 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 377' ' ' PRO . . . . . 0.415 ' HD3' ' HB2' ' A' ' 376' ' ' LEU . 29.3 Cg_endo -65.34 -26.79 55.73 Favored 'Trans proline' 0 C--N 1.355 0.87 0 C-N-CA 121.774 1.649 . . . . 10.0 111.059 178.48 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 378' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 374' ' ' GLY . 18.7 t -62.86 -51.22 74.65 Favored 'Isoleucine or valine' 0 C--O 1.231 0.125 0 N-CA-C 108.828 -0.805 . . . . 10.0 108.828 178.456 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 379' ' ' LEU . . . . . 0.411 ' O ' ' HG3' ' A' ' 383' ' ' LYS . 91.3 mt -61.83 -36.51 81.37 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.256 -0.646 . . . . 10.0 109.256 178.641 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 380' ' ' GLU . . . . . 0.43 ' O ' HG23 ' A' ' 384' ' ' VAL . 6.9 mm-40 -62.28 -49.5 75.41 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.493 178.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 381' ' ' SER . . . . . . . . . . . . . 7.6 p -65.26 -33.58 76.32 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 120.914 0.387 . . . . 10.0 110.702 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 382' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -70.82 -38.84 73.29 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.98 -0.555 . . . . 10.0 111.037 179.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 383' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' A' ' 379' ' ' LEU . 93.4 mttt -58.28 -45.47 87.85 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 109.749 -0.463 . . . . 10.0 109.749 178.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 384' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 380' ' ' GLU . 43.0 t -56.58 -48.24 80.78 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.575 179.394 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 385' ' ' SER . . . . . . . . . . . . . 1.6 p -65.04 -35.25 80.56 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.312 -0.404 . . . . 10.0 111.928 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -69.63 -40.41 76.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.696 0.284 . . . . 10.0 110.746 179.556 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 53.2 mt -61.16 -46.66 89.6 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.84 179.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 388' ' ' SER . . . . . 0.524 ' HB2' ' HE2' ' D' ' 594' ' ' LYS . 2.0 p -69.16 -36.11 77.03 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 120.838 0.351 . . . . 10.0 110.836 179.475 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -58.94 -48.7 80.57 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.688 179.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 97.4 mt -61.09 -36.16 78.94 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.454 179.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -68.79 -45.24 71.81 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.956 -0.566 . . . . 10.0 110.134 179.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 392' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' A' ' 388' ' ' SER . 69.2 mm-40 -56.98 -39.89 75.48 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.077 0.465 . . . . 10.0 110.358 179.024 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 393' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -64.82 -47.86 76.47 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.833 -0.621 . . . . 10.0 110.586 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 10.0 m -68.49 -26.44 65.47 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 112.205 0.446 . . . . 10.0 112.205 -179.221 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -81.16 -30.92 34.32 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.076 0.399 . . . . 10.0 112.076 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 396' ' ' LYS . . . . . 0.535 ' HE2' ' HA ' ' D' ' 587' ' ' ALA . 12.4 mptt -99.6 -47.4 5.11 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 113.414 0.894 . . . . 10.0 113.414 -178.582 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 69.7 mt -83.38 -6.48 59.48 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.349 0.5 . . . . 10.0 112.349 -178.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 398' ' ' ASN . . . . . . . . . . . . . 54.7 t30 . . . . . 0 C--N 1.325 -0.498 0 CA-C-O 120.594 0.235 . . . . 10.0 110.872 -179.949 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 399' ' ' LEU . . . . . . . . . . . . . 3.0 mm? . . . . . 0 N--CA 1.462 0.147 0 CA-C-O 120.897 0.38 . . . . 10.0 110.408 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 400' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.91 18.2 22.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.562 -179.609 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 401' ' ' LEU . . . . . . . . . . . . . 91.6 mt -66.52 -23.52 66.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.856 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 402' ' ' LEU . . . . . . . . . . . . . 58.7 mt -64.33 -42.15 96.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.035 -0.529 . . . . 10.0 109.681 179.248 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 403' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -67.8 -36.55 80.62 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.522 -0.763 . . . . 10.0 109.686 179.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 404' ' ' ASN . . . . . 0.478 ' O ' HG23 ' D' ' 408' ' ' VAL . 13.4 t-20 -64.66 -45.41 86.88 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.872 -0.788 . . . . 10.0 108.872 178.643 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 405' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -64.09 -36.57 84.45 Favored 'General case' 0 N--CA 1.456 -0.135 0 CA-C-N 115.414 -0.812 . . . . 10.0 110.542 179.587 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 406' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -63.11 -44.1 96.59 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.069 0.461 . . . . 10.0 109.85 178.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 407' ' ' SER . . . . . . . . . . . . . 40.1 m -61.76 -34.83 76.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.741 -0.663 . . . . 10.0 110.317 178.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 408' ' ' VAL . . . . . 0.478 HG23 ' O ' ' D' ' 404' ' ' ASN . 93.2 t -72.34 -42.61 65.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.263 0.554 . . . . 10.0 109.799 178.686 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 409' ' ' THR . . . . . . . . . . . . . 41.5 m -63.44 -39.64 95.01 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.892 -0.595 . . . . 10.0 110.016 179.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 410' ' ' SER . . . . . . . . . . . . . 50.7 m -63.74 -43.97 94.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.597 178.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 411' ' ' THR . . . . . 0.483 ' O ' ' HG ' ' D' ' 415' ' ' LEU . 1.0 OUTLIER -68.33 -32.83 73.23 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.814 0.34 . . . . 10.0 110.544 179.363 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' D' D ' 412' ' ' PHE . . . . . . . . . . . . . 5.2 m-30 -66.68 -38.2 86.3 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.045 -0.724 . . . . 10.0 109.045 178.093 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 413' ' ' SER . . . . . . . . . . . . . 22.4 m -68.16 -37.17 80.73 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 108.799 -0.815 . . . . 10.0 108.799 178.091 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 414' ' ' LYS . . . . . 0.601 ' HA ' ' HG3' ' D' ' 417' ' ' GLU . 38.4 mmtt -66.99 -27.21 67.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.028 178.335 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 415' ' ' LEU . . . . . 0.523 ' O ' ' HG ' ' D' ' 419' ' ' LEU . 68.7 mt -68.91 -38.22 79.43 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 108.513 -0.921 . . . . 10.0 108.513 177.666 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 416' ' ' ARG . . . . . . . . . . . . . 71.5 mtt180 -66.31 -32.97 74.69 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.416 -0.811 . . . . 10.0 109.824 178.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 417' ' ' GLU . . . . . 0.601 ' HG3' ' HA ' ' D' ' 414' ' ' LYS . 1.5 mm-40 -62.49 -26.42 68.53 Favored 'General case' 0 C--O 1.226 -0.157 0 CA-C-N 115.606 -0.724 . . . . 10.0 109.354 178.483 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 418' ' ' GLN . . . . . 0.401 ' NE2' ' HA ' ' D' ' 415' ' ' LEU . 34.6 mt-30 -90.78 -50.7 5.75 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.565 -0.743 . . . . 10.0 109.106 178.516 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 419' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' D' ' 415' ' ' LEU . 95.9 mt -46.14 -43.86 15.31 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.603 -0.726 . . . . 10.0 112.212 -179.613 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 420' ' ' GLY . . . . . . . . . . . . . . . -57.11 -76.76 0.19 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 121.093 -0.575 . . . . 10.0 112.458 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 421' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -54.76 -43.09 62.5 Favored 'Trans proline' 0 C--O 1.234 0.291 0 C-N-CA 123.191 2.594 . . . . 10.0 113.135 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 422' ' ' VAL . . . . . . . . . . . . . 46.6 t -56.23 -50.67 69.87 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.369 0 N-CA-C 111.995 0.368 . . . . 10.0 111.995 -179.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 423' ' ' THR . . . . . . . . . . . . . 39.5 p -65.58 -35.54 81.14 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.697 -0.401 . . . . 10.0 111.118 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 424' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -57.06 -49.54 75.53 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.033 -0.531 . . . . 10.0 110.434 179.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 425' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -81.55 -25.2 36.05 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.916 -0.584 . . . . 10.0 111.139 179.521 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 426' ' ' PHE . . . . . 0.561 ' O ' ' HG ' ' D' ' 430' ' ' LEU . 47.8 t80 -65.18 -42.78 93.3 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.831 -0.433 . . . . 10.0 109.831 179.042 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 427' ' ' TRP . . . . . 0.443 ' O ' ' HG3' ' D' ' 431' ' ' GLU . 10.3 m95 -66.94 -36.04 81.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.966 -0.561 . . . . 10.0 109.534 178.759 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 428' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -67.94 -37.42 81.61 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.515 -0.92 . . . . 10.0 108.515 178.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 429' ' ' ASN . . . . . 0.407 ' OD1' ' HG2' ' A' ' 345' ' ' ARG . 4.5 t30 -65.08 -43.96 90.44 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 115.292 -0.867 . . . . 10.0 108.665 177.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 430' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' D' ' 426' ' ' PHE . 96.8 mt -59.09 -36.33 74.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.274 -0.875 . . . . 10.0 110.136 179.169 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 431' ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' D' ' 427' ' ' TRP . 19.6 mt-10 -66.1 -42.36 89.39 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.219 178.749 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 432' ' ' LYS . . . . . . . . . . . . . 36.7 mttp -63.69 -40.95 98.06 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 108.957 -0.757 . . . . 10.0 108.957 178.366 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 433' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -65.0 -46.93 79.35 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.493 -0.776 . . . . 10.0 110.361 178.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 434' ' ' THR . . . . . . . . . . . . . 1.7 p -65.72 -47.07 76.59 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-N 116.692 -0.231 . . . . 10.0 111.448 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 435' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -61.37 -42.19 98.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.683 0.278 . . . . 10.0 110.326 178.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 436' ' ' GLY . . . . . . . . . . . . . . . -63.95 -49.32 68.41 Favored Glycine 0 N--CA 1.446 -0.64 0 N-CA-C 110.314 -1.114 . . . . 10.0 110.314 178.304 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 437' ' ' LEU . . . . . . . . . . . . . 11.4 mt -60.27 -34.76 74.17 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-O 120.514 0.197 . . . . 10.0 110.791 178.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 438' ' ' ARG . . . . . . . . . . . . . 71.2 mtt180 -66.25 -36.77 83.87 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.689 -0.485 . . . . 10.0 109.689 178.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 439' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -70.93 -34.1 71.16 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.275 0.56 . . . . 10.0 109.628 178.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 440' ' ' GLU . . . . . 0.426 ' O ' ' HB2' ' D' ' 444' ' ' ASP . 52.4 mt-10 -73.82 -47.86 35.48 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.504 -0.771 . . . . 10.0 109.965 178.622 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 441' ' ' MET . . . . . . . . . . . . . 96.8 mmm -72.07 -24.79 61.57 Favored 'General case' 0 C--O 1.225 -0.209 0 N-CA-C 113.453 0.909 . . . . 10.0 113.453 -178.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 442' ' ' SER . . . . . . . . . . . . . 2.8 p -64.08 -56.72 12.94 Favored 'General case' 0 CA--C 1.512 -0.489 0 C-N-CA 120.168 -0.613 . . . . 10.0 109.727 179.403 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 443' ' ' LYS . . . . . 0.419 ' HE3' ' HB3' ' D' ' 443' ' ' LYS . 22.4 mtpp -62.89 -35.02 78.66 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.479 -0.563 . . . . 10.0 109.479 178.68 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 444' ' ' ASP . . . . . 0.426 ' HB2' ' O ' ' D' ' 440' ' ' GLU . 2.5 t0 -63.08 -54.41 38.48 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.481 -0.781 . . . . 10.0 110.729 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 445' ' ' LEU . . . . . . . . . . . . . 89.6 mt -67.87 -42.92 80.56 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.336 -0.393 . . . . 10.0 111.922 -179.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 446' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -61.7 -49.63 75.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.77 0.319 . . . . 10.0 110.737 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 447' ' ' GLU . . . . . 0.548 ' HB3' HH21 ' A' ' 330' ' ' ARG . 8.5 tt0 -70.71 -23.49 62.47 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 116.366 -0.379 . . . . 10.0 110.214 179.142 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 448' ' ' VAL . . . . . . . . . . . . . 1.2 t -64.2 -34.81 71.32 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.146 0 N-CA-C 109.125 -0.694 . . . . 10.0 109.125 178.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 449' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -66.31 -33.56 76.01 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 108.797 -0.816 . . . . 10.0 108.797 178.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 450' ' ' ALA . . . . . . . . . . . . . . . -86.13 -0.96 56.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.057 -0.974 . . . . 10.0 110.619 179.06 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 451' ' ' LYS . . . . . 0.463 ' HD2' H261 ' D' ' 601' ' ' PCW . 33.2 mmtm -105.65 -52.74 2.77 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.065 -0.516 . . . . 10.0 109.899 179.246 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 452' ' ' VAL . . . . . . . . . . . . . 90.8 t -58.25 -42.86 84.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.183 -0.462 . . . . 10.0 111.965 -179.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 453' ' ' GLN . . . . . 0.542 ' HB2' ' HD3' ' D' ' 454' ' ' PRO . 33.9 mt-30 -56.69 -62.19 5.47 Favored Pre-proline 0 C--N 1.327 -0.389 0 N-CA-C 112.737 0.643 . . . . 10.0 112.737 -179.713 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 454' ' ' PRO . . . . . 0.542 ' HD3' ' HB2' ' D' ' 453' ' ' GLN . 23.9 Cg_exo -66.01 -32.47 44.22 Favored 'Trans proline' 0 C--N 1.353 0.79 0 C-N-CA 122.028 1.819 . . . . 10.0 111.95 179.282 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 455' ' ' TYR . . . . . 0.46 ' O ' ' HB2' ' D' ' 459' ' ' PHE . 51.1 t80 -63.3 -47.71 81.16 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 110.156 -0.313 . . . . 10.0 110.156 178.691 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 456' ' ' LEU . . . . . . . . . . . . . 23.6 mt -71.11 -31.66 68.04 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 116.396 -0.365 . . . . 10.0 110.304 179.38 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 457' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -64.72 -48.73 73.55 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.124 -0.695 . . . . 10.0 109.124 178.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 458' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -68.39 -34.6 76.32 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.688 -0.687 . . . . 10.0 109.873 179.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 459' ' ' PHE . . . . . 0.46 ' HB2' ' O ' ' D' ' 455' ' ' TYR . 0.2 OUTLIER -67.14 -41.61 85.78 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.618 -0.719 . . . . 10.0 109.43 178.755 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' D' D ' 460' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -62.23 -41.31 98.29 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 115.835 -0.62 . . . . 10.0 109.727 178.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 461' ' ' LYS . . . . . . . . . . . . . 67.3 mttt -61.22 -41.99 97.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.939 -0.573 . . . . 10.0 109.59 178.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 462' ' ' LYS . . . . . 0.691 ' HD2' ' C28' ' D' ' 602' ' ' PCW . 3.8 mtmm -68.68 -35.61 77.43 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.829 178.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 463' ' ' TRP . . . . . . . . . . . . . 30.9 m0 -64.95 -43.06 93.96 Favored 'General case' 0 CA--C 1.52 -0.197 0 N-CA-C 108.642 -0.873 . . . . 10.0 108.642 177.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -62.42 -43.57 98.51 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 115.595 -0.73 . . . . 10.0 109.405 178.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 465' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -56.65 -48.94 76.45 Favored 'General case' 0 CA--C 1.521 -0.172 0 N-CA-C 108.915 -0.772 . . . . 10.0 108.915 178.099 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.25 -40.54 96.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.765 -0.652 . . . . 10.0 110.718 179.274 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 61.1 mtt -62.53 -47.43 83.94 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 109.779 -0.452 . . . . 10.0 109.779 179.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 468' ' ' GLU . . . . . 0.453 ' O ' ' HG3' ' D' ' 472' ' ' GLN . 50.9 mt-10 -64.8 -43.08 94.33 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.707 -0.679 . . . . 10.0 109.803 178.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 469' ' ' LEU . . . . . 0.658 HD21 ' HG3' ' A' ' 308' ' ' ARG . 30.5 mt -61.65 -42.66 99.21 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.492 179.343 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 470' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 -63.79 -29.14 70.38 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.387 -0.37 . . . . 10.0 111.259 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 471' ' ' ARG . . . . . 0.845 ' HA ' ' HG3' ' D' ' 475' ' ' GLU . 64.1 mtt85 -77.23 -20.81 54.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.218 0.533 . . . . 10.0 110.169 178.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 472' ' ' GLN . . . . . 0.453 ' HG3' ' O ' ' D' ' 468' ' ' GLU . 58.0 mt-30 -105.04 0.88 28.03 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.416 0.627 . . . . 10.0 109.767 179.27 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 473' ' ' LYS . . . . . 0.92 ' HE3' ' HB3' ' A' ' 301' ' ' LEU . 4.5 mptt -121.31 -80.7 0.63 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.239 -0.891 . . . . 10.0 110.105 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 474' ' ' VAL . . . . . . . . . . . . . 8.5 t -53.42 -44.48 55.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.909 -0.587 . . . . 10.0 112.552 -178.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 475' ' ' GLU . . . . . 0.845 ' HG3' ' HA ' ' D' ' 471' ' ' ARG . 4.5 mt-10 -59.81 -59.2 14.6 Favored Pre-proline 0 CA--C 1.535 0.398 0 N-CA-C 112.246 0.462 . . . . 10.0 112.246 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 476' ' ' PRO . . . . . 0.731 ' HD3' ' HB2' ' D' ' 475' ' ' GLU . 31.9 Cg_exo -63.66 -38.29 41.55 Favored 'Trans proline' 0 C--N 1.355 0.902 0 C-N-CA 121.98 1.787 . . . . 10.0 111.348 178.29 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 45.6 mt -64.06 -34.3 77.7 Favored 'General case' 0 C--O 1.22 -0.489 0 N-CA-C 109.624 -0.51 . . . . 10.0 109.624 178.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 478' ' ' ARG . . . . . 0.573 ' O ' ' HB2' ' D' ' 482' ' ' GLN . 2.2 mtt-85 -59.23 -35.64 74.03 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.062 -0.718 . . . . 10.0 109.062 178.528 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 479' ' ' ALA . . . . . . . . . . . . . . . -73.55 -47.57 39.76 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.742 -0.663 . . . . 10.0 109.969 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 480' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.44 -40.63 97.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.365 -0.379 . . . . 10.0 110.689 179.306 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 481' ' ' LEU . . . . . . . . . . . . . 90.9 mt -69.61 -33.8 73.19 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.504 -0.554 . . . . 10.0 109.504 178.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 482' ' ' GLN . . . . . 0.573 ' HB2' ' O ' ' D' ' 478' ' ' ARG . 3.3 tp60 -66.6 -41.96 87.63 Favored 'General case' 0 CA--C 1.52 -0.204 0 N-CA-C 108.348 -0.982 . . . . 10.0 108.348 178.266 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 483' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -64.34 -43.62 94.05 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.342 -0.984 . . . . 10.0 108.342 178.211 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 484' ' ' GLY . . . . . . . . . . . . . . . -63.16 -36.69 93.78 Favored Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 115.29 -0.868 . . . . 10.0 111.119 178.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 485' ' ' ALA . . . . . . . . . . . . . . . -67.9 -39.74 83.57 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 109.673 -0.491 . . . . 10.0 109.673 178.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 486' ' ' ARG . . . . . . . . . . . . . 74.0 mtt180 -64.96 -39.98 94.31 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.188 -0.671 . . . . 10.0 109.188 178.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 487' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -64.49 -48.71 74.17 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 108.79 -0.818 . . . . 10.0 108.79 178.079 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 488' ' ' LYS . . . . . 0.426 ' O ' ' HG ' ' D' ' 492' ' ' LEU . 85.7 tttt -59.39 -44.05 92.84 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.455 -0.793 . . . . 10.0 110.06 178.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 489' ' ' LEU . . . . . . . . . . . . . 15.7 mt -61.78 -43.12 99.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.453 . . . . 10.0 109.802 178.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 490' ' ' HIS . . . . . 0.496 ' O ' ' HG3' ' D' ' 494' ' ' GLU . 6.5 t-160 -63.19 -47.99 80.24 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.862 -0.792 . . . . 10.0 108.862 179.021 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 491' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -55.1 -45.13 75.44 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.69 -0.686 . . . . 10.0 110.076 178.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 492' ' ' LEU . . . . . 0.56 ' O ' ' HG ' ' D' ' 496' ' ' LEU . 83.9 mt -68.03 -50.32 56.11 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.945 -0.57 . . . . 10.0 111.345 179.703 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 493' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -56.04 -40.49 73.58 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 112.409 0.522 . . . . 10.0 112.409 -179.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 494' ' ' GLU . . . . . 0.496 ' HG3' ' O ' ' D' ' 490' ' ' HIS . 46.5 mt-10 -68.24 -8.91 43.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.91 0.386 . . . . 10.0 111.442 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 495' ' ' LYS . . . . . 0.505 ' O ' ' HB2' ' D' ' 499' ' ' LEU . 25.7 mttp -112.4 -25.91 8.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.082 0.468 . . . . 10.0 110.001 178.491 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 496' ' ' LEU . . . . . 0.56 ' HG ' ' O ' ' D' ' 492' ' ' LEU . 95.8 mt -70.12 -35.33 74.02 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.222 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 497' ' ' SER . . . . . 0.518 ' HB2' ' HD3' ' D' ' 498' ' ' PRO . 16.0 m -69.48 -59.63 4.68 Favored Pre-proline 0 CA--C 1.541 0.625 0 N-CA-C 112.163 0.431 . . . . 10.0 112.163 179.731 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 498' ' ' PRO . . . . . 0.518 ' HD3' ' HB2' ' D' ' 497' ' ' SER . 40.4 Cg_endo -69.28 -60.17 0.08 OUTLIER 'Trans proline' 0 C--N 1.353 0.79 0 C-N-CA 121.814 1.676 . . . . 10.0 112.91 -179.69 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 499' ' ' LEU . . . . . 0.505 ' HB2' ' O ' ' D' ' 495' ' ' LYS . 56.4 mt -65.02 -34.9 79.55 Favored 'General case' 0 C--O 1.223 -0.296 0 N-CA-C 112.344 0.498 . . . . 10.0 112.344 -178.537 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 500' ' ' GLY . . . . . . . . . . . . . . . -61.95 -44.44 97.81 Favored Glycine 0 N--CA 1.45 -0.371 0 N-CA-C 110.582 -1.007 . . . . 10.0 110.582 179.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 501' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -73.75 -34.79 64.89 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 109.513 -0.551 . . . . 10.0 109.513 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 502' ' ' GLU . . . . . 0.443 ' O ' ' HG3' ' D' ' 506' ' ' ARG . 5.3 tt0 -63.79 -43.93 94.86 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.381 -0.6 . . . . 10.0 109.381 178.782 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 503' ' ' MET . . . . . 0.767 ' HA ' ' HD2' ' D' ' 506' ' ' ARG . 86.4 mmm -62.14 -36.25 81.23 Favored 'General case' 0 CA--C 1.516 -0.363 0 N-CA-C 108.975 -0.75 . . . . 10.0 108.975 178.457 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 504' ' ' ARG . . . . . 0.428 ' O ' ' HG3' ' D' ' 508' ' ' ARG . 90.1 mtt180 -64.21 -45.91 86.2 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 108.818 -0.808 . . . . 10.0 108.818 177.495 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 505' ' ' ASP . . . . . 0.658 ' HA ' ' HD2' ' D' ' 508' ' ' ARG . 2.0 m-20 -60.38 -39.21 86.45 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.13 0.491 . . . . 10.0 109.819 178.522 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 506' ' ' ARG . . . . . 0.767 ' HD2' ' HA ' ' D' ' 503' ' ' MET . 46.9 mtt180 -62.38 -50.06 73.06 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 108.387 -0.968 . . . . 10.0 108.387 178.047 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 507' ' ' ALA . . . . . . . . . . . . . . . -58.46 -41.93 86.3 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.113 -0.949 . . . . 10.0 110.44 179.136 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 508' ' ' ARG . . . . . 0.658 ' HD2' ' HA ' ' D' ' 505' ' ' ASP . 80.1 mtt180 -60.18 -44.48 95.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.119 -0.492 . . . . 10.0 109.843 178.768 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 509' ' ' ALA . . . . . 0.593 ' HB1' ' HE2' ' A' ' 264' ' ' LYS . . . -66.44 -34.19 77.39 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.713 179.644 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 510' ' ' HIS . . . . . 0.45 ' O ' ' HG ' ' D' ' 514' ' ' LEU . 28.7 m-70 -72.65 -43.64 62.92 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.086 -0.506 . . . . 10.0 110.0 178.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 511' ' ' VAL . . . . . 0.468 ' O ' ' HG3' ' D' ' 515' ' ' ARG . 37.4 t -65.04 -40.66 89.76 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 N-CA-C 108.951 -0.759 . . . . 10.0 108.951 178.495 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 512' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -60.98 -42.04 97.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.362 -0.835 . . . . 10.0 109.459 178.318 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 513' ' ' ALA . . . . . . . . . . . . . . . -63.41 -46.3 87.02 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 109.042 -0.725 . . . . 10.0 109.042 178.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 514' ' ' LEU . . . . . 0.476 ' HA ' ' HB2' ' D' ' 517' ' ' HIS . 90.3 mt -59.25 -26.28 64.77 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.182 -0.463 . . . . 10.0 111.512 179.599 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 515' ' ' ARG . . . . . 0.468 ' HG3' ' O ' ' D' ' 511' ' ' VAL . 86.6 mtt180 -69.19 -27.39 65.46 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 109.549 -0.538 . . . . 10.0 109.549 178.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 516' ' ' THR . . . . . . . . . . . . . 1.3 m -107.92 2.08 23.1 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.368 0.604 . . . . 10.0 110.265 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 517' ' ' HIS . . . . . 0.476 ' HB2' ' HA ' ' D' ' 514' ' ' LEU . 28.9 m170 -113.69 -61.93 1.67 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.184 -179.747 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 518' ' ' LEU . . . . . 0.453 ' HG ' HD22 ' D' ' 514' ' ' LEU . 61.5 mt -74.07 -46.97 39.73 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.236 0.458 . . . . 10.0 112.236 -178.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 519' ' ' ALA . . . . . 0.665 ' HB3' ' HD3' ' D' ' 520' ' ' PRO . . . -55.61 -57.66 19.86 Favored Pre-proline 0 C--N 1.327 -0.393 0 N-CA-C 112.866 0.691 . . . . 10.0 112.866 -179.278 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 520' ' ' PRO . . . . . 0.665 ' HD3' ' HB3' ' D' ' 519' ' ' ALA . 32.2 Cg_exo -61.97 -38.14 60.03 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 122.01 1.807 . . . . 10.0 111.354 179.232 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -66.37 -30.14 70.47 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-O 120.817 0.342 . . . . 10.0 110.623 179.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 522' ' ' SER . . . . . 0.484 ' O ' ' HG3' ' D' ' 526' ' ' ARG . 69.0 m -67.36 -34.24 76.9 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 108.746 -0.835 . . . . 10.0 108.746 178.339 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 523' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -70.54 -37.74 74.11 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 109.046 -0.724 . . . . 10.0 109.046 178.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 524' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.18 -42.85 99.44 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 108.224 -1.028 . . . . 10.0 108.224 177.214 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 525' ' ' LEU . . . . . . . . . . . . . 49.2 mt -63.91 -32.98 74.7 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 115.266 -0.879 . . . . 10.0 110.013 178.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 526' ' ' ARG . . . . . 0.484 ' HG3' ' O ' ' D' ' 522' ' ' SER . 65.4 mtt180 -65.58 -42.22 92.0 Favored 'General case' 0 C--N 1.334 -0.087 0 N-CA-C 109.541 -0.541 . . . . 10.0 109.541 178.442 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 527' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -62.38 -43.34 99.05 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 109.008 -0.738 . . . . 10.0 109.008 178.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 528' ' ' ARG . . . . . 0.57 ' NH1' ' HA ' ' A' ' 246' ' ' ASP . 66.5 mtt180 -69.01 -37.14 78.5 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.991 -1.004 . . . . 10.0 110.417 179.243 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 529' ' ' LEU . . . . . . . . . . . . . 1.7 mt -61.62 -42.71 99.26 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.367 -0.605 . . . . 10.0 109.367 178.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 530' ' ' ALA . . . . . . . . . . . . . . . -60.29 -48.1 83.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.862 -0.608 . . . . 10.0 110.646 179.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 531' ' ' ALA . . . . . . . . . . . . . . . -65.55 -46.42 79.6 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 116.024 -0.535 . . . . 10.0 110.367 179.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 532' ' ' ARG . . . . . 0.671 ' O ' ' HG ' ' D' ' 536' ' ' LEU . 5.2 ttm180 -58.79 -48.14 82.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.874 -0.603 . . . . 10.0 109.392 179.088 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 533' ' ' LEU . . . . . . . . . . . . . 47.3 mt -61.64 -39.1 90.1 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.629 179.184 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 534' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -60.04 -43.71 95.15 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.945 -0.391 . . . . 10.0 109.945 178.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 535' ' ' ALA . . . . . . . . . . . . . . . -64.83 -40.24 94.86 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.728 -0.669 . . . . 10.0 109.513 178.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 536' ' ' LEU . . . . . 0.671 ' HG ' ' O ' ' D' ' 532' ' ' ARG . 52.0 mt -68.68 -35.82 77.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.857 -0.61 . . . . 10.0 110.654 179.379 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 537' ' ' LYS . . . . . . . . . . . . . 42.2 mtmt -71.11 -39.39 72.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.122 0.487 . . . . 10.0 109.834 179.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 538' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -66.45 -49.28 67.23 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.732 -0.667 . . . . 10.0 109.608 179.1 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 539' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -67.18 -43.7 81.52 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.443 -0.798 . . . . 10.0 110.492 179.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 540' ' ' GLY . . . . . . . . . . . . . . . -64.23 -40.27 97.82 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 111.452 -0.659 . . . . 10.0 111.452 179.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 541' ' ' GLY . . . . . . . . . . . . . . . -66.11 -38.23 93.77 Favored Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 110.987 -0.845 . . . . 10.0 110.987 178.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 542' ' ' ALA . . . . . . . . . . . . . . . -69.93 -48.93 56.58 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 108.693 -0.854 . . . . 10.0 108.693 178.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 543' ' ' ARG . . . . . 0.419 ' HA ' ' HB2' ' D' ' 546' ' ' GLU . 53.2 mtt180 -60.8 -25.22 66.4 Favored 'General case' 0 C--O 1.217 -0.634 0 CA-C-N 115.6 -0.727 . . . . 10.0 110.591 179.325 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 544' ' ' LEU . . . . . . . . . . . . . 5.9 mt -65.0 -47.7 76.58 Favored 'General case' 0 CA--C 1.518 -0.267 0 N-CA-C 109.676 -0.49 . . . . 10.0 109.676 178.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 545' ' ' ALA . . . . . . . . . . . . . . . -69.1 -39.27 79.07 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.875 -0.602 . . . . 10.0 109.47 178.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 546' ' ' GLU . . . . . 0.516 ' O ' ' HD2' ' D' ' 550' ' ' LYS . 77.8 mt-10 -62.45 -51.9 65.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.426 -0.807 . . . . 10.0 110.002 179.04 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 547' ' ' TYR . . . . . . . . . . . . . 14.6 m-30 -61.88 -38.07 86.93 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.549 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 548' ' ' HIS . . . . . . . . . . . . . 3.6 m170 -63.95 -45.47 88.98 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.043 0.449 . . . . 10.0 110.107 179.091 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 549' ' ' ALA . . . . . . . . . . . . . . . -61.25 -48.55 80.92 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.542 -0.54 . . . . 10.0 109.542 178.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 550' ' ' LYS . . . . . 0.516 ' HD2' ' O ' ' D' ' 546' ' ' GLU . 0.1 OUTLIER -62.81 -38.3 90.15 Favored 'General case' 0 C--O 1.219 -0.54 0 CA-C-N 115.713 -0.676 . . . . 10.0 110.695 179.427 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' D' D ' 551' ' ' ALA . . . . . . . . . . . . . . . -64.38 -40.79 96.51 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 110.086 -0.339 . . . . 10.0 110.086 179.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 552' ' ' THR . . . . . . . . . . . . . 21.4 m -65.78 -44.19 86.54 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.042 -0.725 . . . . 10.0 109.042 178.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 553' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -65.08 -45.35 85.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.719 -0.673 . . . . 10.0 110.416 179.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 554' ' ' HIS . . . . . . . . . . . . . 24.3 t60 -61.58 -34.67 76.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.117 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 555' ' ' LEU . . . . . . . . . . . . . 15.1 tp -71.39 -38.41 71.5 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 116.275 -0.42 . . . . 10.0 110.551 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 556' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -42.91 96.68 Favored 'General case' 0 C--O 1.225 -0.185 0 C-N-CA 120.976 -0.29 . . . . 10.0 110.339 178.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 557' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.52 -33.4 75.0 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 109.623 -0.51 . . . . 10.0 109.623 178.54 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 558' ' ' LEU . . . . . . . . . . . . . 16.0 mt -62.57 -46.29 89.03 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.713 -0.676 . . . . 10.0 109.933 178.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 559' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.06 -35.73 61.84 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.727 0.298 . . . . 10.0 110.624 179.753 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 560' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -60.15 -28.47 67.93 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.128 178.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 561' ' ' LYS . . . . . 0.422 ' HA ' ' HD2' ' D' ' 561' ' ' LYS . 8.1 mptt -97.04 -39.1 9.5 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.806 -0.634 . . . . 10.0 110.904 179.08 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 562' ' ' ALA . . . . . . . . . . . . . . . -61.36 -43.99 97.93 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 112.414 0.524 . . . . 10.0 112.414 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 563' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -54.41 -62.1 4.53 Favored Pre-proline 0 CA--C 1.536 0.437 0 N-CA-C 112.238 0.458 . . . . 10.0 112.238 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 564' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.22 -31.53 44.23 Favored 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 121.983 1.789 . . . . 10.0 111.861 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 565' ' ' ALA . . . . . . . . . . . . . . . -65.69 -47.37 75.64 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 109.895 -0.409 . . . . 10.0 109.895 178.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 566' ' ' LEU . . . . . . . . . . . . . 28.1 mt -59.95 -48.79 80.24 Favored 'General case' 0 CA--C 1.516 -0.355 0 N-CA-C 109.224 -0.658 . . . . 10.0 109.224 178.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 567' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -58.45 -53.17 61.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.84 -0.618 . . . . 10.0 110.9 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 568' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.55 -45.6 93.46 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.091 -0.504 . . . . 10.0 111.797 -179.543 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 569' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' D' ' 569' ' ' LEU . 26.9 mt -63.6 -38.64 91.9 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.809 -0.178 . . . . 10.0 111.02 179.619 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 570' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -66.39 -45.77 78.93 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.625 -0.509 . . . . 10.0 109.625 178.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 571' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -67.68 -20.82 65.34 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.968 -0.56 . . . . 10.0 111.063 179.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 572' ' ' GLY . . . . . . . . . . . . . . . -88.47 -42.1 5.91 Favored Glycine 0 N--CA 1.443 -0.839 0 N-CA-C 110.668 -0.973 . . . . 10.0 110.668 178.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 573' ' ' LEU . . . . . . . . . . . . . 19.8 mt -64.11 -28.12 69.55 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 122.276 0.231 . . . . 10.0 111.033 179.402 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 574' ' ' LEU . . . . . 0.481 ' O ' ' HG2' ' D' ' 578' ' ' GLU . 34.5 mt -54.6 -64.24 2.14 Favored Pre-proline 0 CA--C 1.536 0.417 0 O-C-N 123.111 0.257 . . . . 10.0 111.579 179.434 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 575' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -70.83 -30.06 17.88 Favored 'Trans proline' 0 C--N 1.355 0.883 0 C-N-CA 121.692 1.595 . . . . 10.0 111.612 179.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 576' ' ' VAL . . . . . . . . . . . . . 16.8 t -63.99 -48.33 86.49 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-N 116.833 -0.167 . . . . 10.0 110.66 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 577' ' ' LEU . . . . . . . . . . . . . 36.5 mt -63.37 -39.33 94.23 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 110.264 -0.273 . . . . 10.0 110.264 179.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 578' ' ' GLU . . . . . 0.481 ' HG2' ' O ' ' D' ' 574' ' ' LEU . 20.2 mm-40 -64.51 -43.41 94.16 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 109.647 -0.501 . . . . 10.0 109.647 178.43 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 579' ' ' SER . . . . . . . . . . . . . 69.3 m -61.94 -42.02 98.63 Favored 'General case' 0 CA--C 1.528 0.134 0 N-CA-C 109.42 -0.585 . . . . 10.0 109.42 178.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 580' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -63.51 -43.42 97.27 Favored 'General case' 0 C--N 1.334 -0.066 0 CA-C-N 115.593 -0.73 . . . . 10.0 110.616 179.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 581' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -58.48 -42.58 87.84 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.681 -0.488 . . . . 10.0 109.681 178.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 582' ' ' VAL . . . . . 0.407 HG23 ' O ' ' D' ' 578' ' ' GLU . 69.4 t -61.46 -48.75 87.39 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-N 115.824 -0.626 . . . . 10.0 110.173 178.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 583' ' ' SER . . . . . . . . . . . . . 13.8 p -63.25 -41.01 99.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.374 -0.376 . . . . 10.0 111.292 179.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 584' ' ' PHE . . . . . 0.402 ' O ' ' HG ' ' D' ' 588' ' ' LEU . 11.6 m-85 -66.88 -45.04 79.31 Favored 'General case' 0 CA--C 1.523 -0.065 0 CA-C-N 116.493 -0.321 . . . . 10.0 111.013 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 585' ' ' LEU . . . . . . . . . . . . . 34.3 mt -59.7 -46.08 90.15 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.867 0.365 . . . . 10.0 110.361 179.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 586' ' ' SER . . . . . . . . . . . . . 11.3 m -66.86 -32.25 73.4 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.843 179.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 587' ' ' ALA . . . . . 0.535 ' HA ' ' HE2' ' A' ' 396' ' ' LYS . . . -72.16 -51.89 19.17 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.821 0.344 . . . . 10.0 110.776 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 588' ' ' LEU . . . . . 0.593 HD22 ' H50' ' D' ' 630' ' ' 17F . 82.1 mt -64.06 -41.42 97.38 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.261 -179.466 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 589' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -58.7 -47.67 83.77 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.055 -0.521 . . . . 10.0 111.089 -179.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 590' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -72.37 -31.57 65.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.978 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 591' ' ' TYR . . . . . 0.443 ' HD1' ' HA ' ' D' ' 591' ' ' TYR . 1.8 m-30 -62.6 -43.95 97.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.517 -0.31 . . . . 10.0 110.878 179.485 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 592' ' ' THR . . . . . . . . . . . . . 4.1 m -66.86 -19.73 65.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.334 -0.394 . . . . 10.0 110.788 179.175 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 593' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -82.87 -43.88 16.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.128 179.111 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 594' ' ' LYS . . . . . 0.524 ' HE2' ' HB2' ' A' ' 388' ' ' SER . 12.0 mptt -73.73 -43.85 57.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.038 179.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 595' ' ' LEU . . . . . . . . . . . . . 23.9 mt -89.81 49.35 1.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.395 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 596' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 . . . . . 0 C--N 1.32 -0.697 0 CA-C-N 116.053 -0.521 . . . . 10.0 111.07 -179.532 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . 0.454 ' N ' ' HB ' ' B' ' 50' ' ' THR . 19.7 m . . . . . 0 N--CA 1.451 -0.407 0 CA-C-O 120.942 0.401 . . . . 10.0 110.847 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.22 126.16 49.13 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.001 179.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -92.99 142.24 27.51 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.753 0.311 . . . . 10.0 110.387 -179.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -135.6 106.61 6.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.047 179.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.547 ' HA ' ' HB3' ' B' ' 54' ' ' ASP . 63.3 mttm -80.53 118.73 22.39 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.075 179.543 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.51 ' O ' ' HA ' ' B' ' 55' ' ' ILE . 3.6 mt -123.72 140.27 53.16 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.196 -0.456 . . . . 10.0 111.166 -178.502 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 21.5 t -119.8 138.04 51.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.147 -0.478 . . . . 10.0 110.422 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.61 HG12 ' HD2' ' B' ' 16' ' ' LYS . 6.1 t -102.09 105.71 18.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.409 -0.359 . . . . 10.0 110.091 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 18.2 m -105.66 150.75 8.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.302 -0.408 . . . . 10.0 111.375 -179.345 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 153.15 171.55 20.55 Favored Glycine 0 N--CA 1.446 -0.69 0 CA-C-N 115.563 -0.744 . . . . 10.0 111.41 -179.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.9 -178.01 4.68 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.115 0.483 . . . . 10.0 110.964 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -86.42 156.81 20.01 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.867 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 72.61 8.9 73.13 Favored Glycine 0 CA--C 1.517 0.187 0 CA-C-N 116.077 -0.51 . . . . 10.0 114.236 179.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.524 HG12 ' HB2' ' B' ' 83' ' ' ALA . 31.4 m -87.37 -28.97 5.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 117.288 0.544 . . . . 10.0 111.942 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . 0.581 ' HA3' ' C8 ' ' B' ' 201' ' ' GSP . . . 106.68 34.39 3.07 Favored Glycine 0 CA--C 1.518 0.224 0 C-N-CA 120.564 -0.827 . . . . 10.0 113.366 179.422 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.61 ' HD2' HG12 ' B' ' 8' ' ' VAL . 42.2 mtmt -63.56 -44.35 94.38 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 122.765 -0.256 . . . . 10.0 111.624 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . 0.466 ' OG ' ' O3G' ' B' ' 201' ' ' GSP . 0.7 OUTLIER -74.1 -23.63 59.35 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.292 -0.413 . . . . 10.0 111.83 -178.833 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.03 -43.6 98.26 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 110.057 -0.349 . . . . 10.0 110.057 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 58.3 mt -65.64 -38.99 90.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.048 -0.524 . . . . 10.0 110.476 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.87 -46.71 67.73 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.742 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 71.6 mt -64.21 -37.8 80.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.81 179.06 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . 0.601 ' O ' ' HA ' ' B' ' 26' ' ' ASN . 6.4 mm-40 -64.83 -32.49 74.21 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.152 0.501 . . . . 10.0 110.707 179.145 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 17.7 tp -83.77 -40.19 19.1 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.457 -0.338 . . . . 10.0 111.81 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.445 HG13 ' HB3' ' B' ' 40' ' ' TYR . 38.4 mm -83.12 -65.04 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 112.695 0.628 . . . . 10.0 112.695 -178.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -78.25 -19.81 52.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.443 -0.344 . . . . 10.0 111.613 -178.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . 0.601 ' HA ' ' O ' ' B' ' 22' ' ' GLN . 2.7 t-20 71.01 38.06 1.16 Allowed 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 113.347 0.869 . . . . 10.0 113.347 178.436 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -155.93 177.31 11.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.529 -0.305 . . . . 10.0 110.947 178.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -120.81 130.17 53.87 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.078 0.466 . . . . 10.0 111.395 -179.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 17.4 m -92.14 150.58 3.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.857 -0.611 . . . . 10.0 110.138 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -101.67 -31.05 10.99 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.024 -0.534 . . . . 10.0 110.667 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -75.58 133.2 41.0 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.574 -0.739 . . . . 10.0 111.52 -179.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . 0.747 ' CD1' H5'2 ' B' ' 201' ' ' GSP . 23.9 t80 -76.11 130.59 38.54 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.163 -0.681 . . . . 10.0 109.163 178.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -134.41 109.72 11.37 Favored Pre-proline 0 C--N 1.321 -0.668 0 CA-C-O 120.838 0.351 . . . . 10.0 111.498 -179.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . 0.485 ' HA ' ' S1G' ' B' ' 201' ' ' GSP . 25.4 Cg_exo -64.33 99.58 0.3 Allowed 'Trans proline' 0 CA--C 1.53 0.309 0 C-N-CA 122.961 2.441 . . . . 10.0 111.599 179.636 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.422 ' OG1' ' O3G' ' B' ' 201' ' ' GSP . 3.1 m -71.35 115.14 10.17 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.165 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 44.2 mm -76.62 -51.44 19.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 108.521 -0.918 . . . . 10.0 108.521 178.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . 0.595 ' HG2' HD11 ' B' ' 56' ' ' LEU . 22.6 tt0 -179.77 103.85 0.03 OUTLIER 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 115.064 -0.971 . . . . 10.0 109.902 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -135.52 139.15 43.75 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.98 -0.288 . . . . 10.0 111.467 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 3.2 m -102.18 148.55 25.29 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.244 -0.435 . . . . 10.0 111.131 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' TYR . . . . . 0.445 ' HB3' HG13 ' B' ' 24' ' ' ILE . 78.3 m-85 -131.32 124.32 30.16 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.9 -0.591 . . . . 10.0 110.048 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.52 ' HD2' ' OD1' ' B' ' 54' ' ' ASP . 0.1 OUTLIER -114.87 117.94 32.1 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.126 -0.488 . . . . 10.0 111.897 -179.064 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 35.4 tttp -134.78 133.79 40.22 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.81 -0.632 . . . . 10.0 109.939 179.31 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -101.39 112.84 25.49 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.113 -0.494 . . . . 10.0 109.904 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 3.5 m -126.21 165.66 23.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.41 -0.359 . . . . 10.0 111.312 -179.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 14.6 t -102.92 84.86 0.89 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.346 0 CA-C-O 121.367 0.603 . . . . 10.0 110.49 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . 0.647 HD13 ' HA ' ' B' ' 157' ' ' TYR . 58.8 mt -89.86 121.81 40.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.611 -179.181 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . 0.941 ' HA ' ' HB2' ' C' ' 128' ' ' LYS . 63.8 m-20 64.23 13.92 8.27 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.574 -0.739 . . . . 10.0 111.624 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.3 7.82 58.0 Favored Glycine 0 N--CA 1.454 -0.164 0 C-N-CA 120.752 -0.737 . . . . 10.0 112.554 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -116.13 144.83 43.63 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.674 0.274 . . . . 10.0 110.384 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . 0.454 ' HB ' ' N ' ' B' ' 1' ' ' SER . 3.2 m -77.51 106.73 9.48 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.274 -0.639 . . . . 10.0 109.274 178.711 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . 0.464 ' SG ' ' HB ' ' B' ' 46' ' ' ILE . 15.9 m -109.64 125.58 52.74 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.892 0.377 . . . . 10.0 111.834 -178.521 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 52.2 tp -94.23 107.34 19.28 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.587 -0.894 . . . . 10.0 108.587 178.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . 0.496 ' O ' ' HA ' ' B' ' 41' ' ' ARG . 34.5 mt -82.06 115.59 21.27 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.944 -0.571 . . . . 10.0 112.414 -177.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . 0.547 ' HB3' ' HA ' ' B' ' 5' ' ' LYS . 12.4 t70 -105.52 79.67 1.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.193 -1.41 . . . . 10.0 107.193 177.633 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' ILE . . . . . 0.51 ' HA ' ' O ' ' B' ' 6' ' ' LEU . 39.0 mt -91.66 145.85 6.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.878 -0.601 . . . . 10.0 111.721 -177.767 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.595 HD11 ' HG2' ' B' ' 37' ' ' GLU . 23.1 tp -136.5 117.65 14.45 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.048 179.562 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -97.45 112.78 24.48 Favored 'General case' 0 C--O 1.233 0.223 0 N-CA-C 108.952 -0.758 . . . . 10.0 108.952 178.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . 0.56 HG23 ' HG3' ' B' ' 37' ' ' GLU . 0.2 OUTLIER -105.24 161.93 13.85 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.505 -0.316 . . . . 10.0 111.309 -179.537 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.5 129.53 41.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.134 -0.484 . . . . 10.0 111.752 -179.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . -105.1 41.74 2.08 Favored Glycine 0 N--CA 1.447 -0.589 0 N-CA-C 111.161 -0.776 . . . . 10.0 111.161 179.083 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -107.54 18.67 21.21 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.639 0.257 . . . . 10.0 110.793 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 62.68 -160.66 0.3 Allowed 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.806 -0.634 . . . . 10.0 112.24 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 66.35 15.71 10.19 Favored 'General case' 0 C--O 1.225 -0.196 0 CA-C-N 115.853 -0.612 . . . . 10.0 111.239 -179.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 9.0 m-30 -118.38 75.42 1.01 Allowed 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.205 -0.665 . . . . 10.0 109.205 179.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 1.6 p -78.43 -67.26 0.76 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.362 -0.381 . . . . 10.0 111.092 -179.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.31 -29.85 42.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.945 -0.571 . . . . 10.0 111.408 -179.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 89.6 mtp -64.69 -31.51 72.76 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.909 0.385 . . . . 10.0 110.925 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . 0.549 ' HA ' ' CZ ' ' B' ' 71' ' ' TYR . 24.7 ttp180 -78.95 -25.96 43.57 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 121.175 0.512 . . . . 10.0 110.296 179.72 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.02 -8.05 41.31 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.907 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -86.1 -63.9 1.24 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.242 0.46 . . . . 10.0 112.242 -179.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' TYR . . . . . 0.549 ' CZ ' ' HA ' ' B' ' 68' ' ' ARG . 5.4 p90 -67.07 -16.65 64.47 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 113.126 0.787 . . . . 10.0 113.126 -179.189 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . 0.453 ' SD ' ' HG2' ' B' ' 99' ' ' GLN . 33.0 mtt -69.71 -19.35 63.56 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.294 0.569 . . . . 10.0 110.048 178.467 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 59.4 mtt180 -81.49 -48.75 11.44 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.594 -0.73 . . . . 10.0 109.536 178.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.99 -40.34 75.35 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.317 -0.856 . . . . 10.0 112.124 -179.397 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -58.36 121.08 24.99 Favored Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 116.046 -0.525 . . . . 10.0 112.751 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.485 ' HG3' ' HB2' ' B' ' 5' ' ' LYS . 30.6 mt-10 -88.45 -40.34 13.55 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-O 120.635 0.255 . . . . 10.0 110.521 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -119.52 131.16 8.84 Favored Glycine 0 N--CA 1.446 -0.687 0 N-CA-C 111.374 -0.69 . . . . 10.0 111.374 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . 0.656 ' HB2' ' HG2' ' B' ' 111' ' ' MET . 96.1 m-85 -111.05 129.48 55.9 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.069 0.462 . . . . 10.0 111.505 -179.4 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 57.0 tp -101.84 117.38 34.73 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.014 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 27.1 m -88.07 99.39 12.14 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.182 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 30.2 t -101.59 118.72 48.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.138 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 47.1 p90 -125.18 160.76 28.41 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.882 179.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.524 ' HB2' HG12 ' B' ' 14' ' ' VAL . . . -99.98 144.09 29.43 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.951 -0.568 . . . . 10.0 109.963 179.512 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . 0.408 HD12 ' HB3' ' B' ' 123' ' ' ARG . 28.7 pt -85.58 -10.86 11.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.809 0.338 . . . . 10.0 111.28 -179.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . 0.451 ' OD1' ' HB1' ' B' ' 83' ' ' ALA . 27.0 p-10 -99.6 -28.81 13.03 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.272 -0.422 . . . . 10.0 111.964 -179.651 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 35.7 t-20 -108.56 113.48 26.52 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.002 0.43 . . . . 10.0 111.12 -178.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.81 -26.51 64.28 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.867 -0.606 . . . . 10.0 111.929 -179.629 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -59.86 -43.15 94.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.656 0.265 . . . . 10.0 110.889 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.21 -26.8 66.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.132 -0.485 . . . . 10.0 111.434 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -75.61 -44.94 40.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.071 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -72.45 -22.14 61.13 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.381 -0.372 . . . . 10.0 111.351 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.24 -18.04 61.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 10.0 111.732 -179.459 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 45.4 mm -59.89 -37.2 70.92 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 N-CA-C 109.598 -0.519 . . . . 10.0 109.598 179.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -63.0 -46.89 85.51 Favored 'General case' 0 C--O 1.231 0.084 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.035 179.122 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 39.9 m-70 -62.5 -41.9 99.14 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.012 -0.54 . . . . 10.0 110.837 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -63.5 -47.58 81.15 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.32 178.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 97' ' ' ARG . . . . . 0.439 HH11 ' HD3' ' B' ' 97' ' ' ARG . 31.5 ttt-85 -59.53 -40.03 85.83 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 116.046 -0.525 . . . . 10.0 111.025 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -61.6 -44.97 96.01 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.408 -0.36 . . . . 10.0 111.314 179.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 99' ' ' GLN . . . . . 0.453 ' HG2' ' SD ' ' B' ' 72' ' ' MET . 63.5 tt0 -65.48 -44.05 88.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.535 -0.302 . . . . 10.0 110.721 179.668 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 96.6 mt -55.34 -49.01 76.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-O 121.164 0.507 . . . . 10.0 110.459 179.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . 0.418 ' HE2' ' HG2' ' B' ' 97' ' ' ARG . 7.8 mtmt -66.03 -24.44 66.75 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.657 -0.702 . . . . 10.0 111.934 -179.428 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 6.1 tmm_? -82.43 -41.81 19.37 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.676 -0.49 . . . . 10.0 109.676 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . 0.435 HG23 ' O ' ' B' ' 99' ' ' GLN . 71.2 t -64.65 -48.68 83.74 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 CA-C-N 115.818 -0.628 . . . . 10.0 111.282 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . 0.404 ' HD2' ' HE2' ' B' ' 78' ' ' PHE . 22.2 mtpp -83.19 -2.87 56.6 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.187 -0.461 . . . . 10.0 111.189 -179.397 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 11.9 t70 50.12 49.22 20.84 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 121.455 0.645 . . . . 10.0 111.378 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 2.5 t -166.7 144.81 5.18 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.657 -0.701 . . . . 10.0 109.636 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -86.65 -34.93 19.63 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.866 0.365 . . . . 10.0 110.79 -179.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.91 98.06 6.25 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.203 0.525 . . . . 10.0 110.674 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 0.402 ' HA ' ' HD3' ' B' ' 110' ' ' PRO . 60.7 t -129.11 135.08 27.06 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 115.506 -0.77 . . . . 10.0 109.785 -179.659 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 110' ' ' PRO . . . . . 0.412 ' HG3' ' HB2' ' B' ' 166' ' ' HIS . 27.5 Cg_exo -64.42 105.68 0.63 Allowed 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.588 2.192 . . . . 10.0 111.54 179.208 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 111' ' ' MET . . . . . 0.656 ' HG2' ' HB2' ' B' ' 78' ' ' PHE . 67.1 mtm -139.25 153.68 47.86 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.199 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 99.3 t -133.1 136.78 54.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.999 -0.371 . . . . 10.0 109.999 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 15.5 tp -93.05 113.86 26.24 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.406 -0.59 . . . . 10.0 109.406 179.621 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 51.4 t -120.07 122.94 69.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.068 0.461 . . . . 10.0 111.763 -178.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -107.64 116.57 4.92 Favored Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 110.315 -1.114 . . . . 10.0 110.315 178.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 116' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -94.69 167.0 11.73 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.923 0.361 . . . . 10.0 111.324 -179.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . 0.414 ' HE2' ' C4 ' ' B' ' 201' ' ' GSP . 51.1 mttt 67.88 29.69 6.52 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 123.61 0.764 . . . . 10.0 112.655 179.201 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 118' ' ' CYS . . . . . . . . . . . . . 70.8 m -66.19 -11.72 51.51 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.62 0.6 . . . . 10.0 112.62 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -90.23 -10.25 45.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.882 0.372 . . . . 10.0 110.933 179.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 29.7 mt -80.36 138.53 51.89 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 116.459 -0.337 . . . . 10.0 110.626 179.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -74.69 150.95 40.55 Favored 'Trans proline' 0 C--O 1.238 0.491 0 C-N-CA 122.474 2.116 . . . . 10.0 112.534 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 2.5 m 62.52 81.69 0.19 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.66 -0.7 . . . . 10.0 112.187 179.297 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 123' ' ' ARG . . . . . 0.44 HH12 ' CD ' ' B' ' 143' ' ' GLU . 15.8 ptt180 -105.85 139.35 40.55 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 122.287 -0.258 . . . . 10.0 111.259 178.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 7.4 m -66.81 -63.41 1.07 Allowed 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.229 0.455 . . . . 10.0 112.229 -179.078 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 73.2 t -76.41 117.7 21.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.908 0.385 . . . . 10.0 110.711 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -76.91 151.16 35.88 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.682 -0.69 . . . . 10.0 109.288 179.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 1.7 m -53.01 -42.54 65.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.505 -0.316 . . . . 10.0 111.675 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 128' ' ' LYS . . . . . 0.761 ' HB3' ' HA ' ' C' ' 47' ' ' ASP . 1.3 mppt? -68.47 -23.28 64.56 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.856 0.36 . . . . 10.0 111.963 -179.393 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -76.24 -44.56 36.91 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.713 -0.476 . . . . 10.0 109.713 179.097 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -69.42 -44.13 71.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.691 -0.686 . . . . 10.0 110.844 179.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -63.03 -36.73 84.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.867 -0.606 . . . . 10.0 111.314 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -63.93 -36.05 82.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.181 0.515 . . . . 10.0 110.968 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 13.3 tp -78.99 -38.21 37.32 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.253 -0.431 . . . . 10.0 110.566 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.78 -44.39 96.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.994 -0.548 . . . . 10.0 111.139 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 135' ' ' ARG . . . . . 0.755 ' HB2' ' HD3' ' C' ' 165' ' ' LYS . 5.8 ppt_? -64.17 -23.68 67.41 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.373 -0.376 . . . . 10.0 111.951 -179.753 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.68 -27.71 50.89 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.097 0.475 . . . . 10.0 109.839 179.371 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 21.1 m-30 -83.48 -36.4 24.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.037 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 101.21 17.15 23.27 Favored Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 111.026 -0.829 . . . . 10.0 111.026 -178.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 47.1 pt -116.78 150.33 45.57 Favored Pre-proline 0 C--N 1.326 -0.443 0 N-CA-C 110.185 -0.302 . . . . 10.0 110.185 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -80.38 144.2 16.0 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 122.371 2.048 . . . . 10.0 113.187 -179.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 141' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -106.34 142.14 36.51 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.33 -0.85 . . . . 10.0 109.372 179.046 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 37.0 mt -130.17 132.18 65.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-O 120.977 0.418 . . . . 10.0 111.941 -179.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 143' ' ' GLU . . . . . 0.44 ' CD ' HH12 ' B' ' 123' ' ' ARG . 3.7 mm-40 -85.48 122.5 29.71 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 107.658 -1.238 . . . . 10.0 107.658 177.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 144' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' B' ' 150' ' ' GLN . 24.5 p -133.48 166.19 23.12 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.799 1.037 . . . . 10.0 113.799 -177.753 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 10.5 t -155.32 103.41 2.34 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.51 -1.223 . . . . 10.0 108.159 178.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 146' ' ' ALA . . . . . 0.431 ' HB3' ' O6 ' ' B' ' 201' ' ' GSP . . . -64.57 -23.76 67.37 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.318 0.58 . . . . 10.0 110.567 -179.455 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . 44.4 tttt -67.67 -31.36 71.28 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.086 -0.961 . . . . 10.0 111.735 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 148' ' ' THR . . . . . . . . . . . . . 65.8 p -120.02 2.56 10.98 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.836 0.31 . . . . 10.0 111.836 -178.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 45.0 ttm-85 61.94 34.73 16.65 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 121.662 0.744 . . . . 10.0 110.925 -178.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 150' ' ' GLN . . . . . 0.406 ' O ' ' HA ' ' B' ' 144' ' ' THR . 58.1 tt0 -80.36 105.46 11.63 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.984 -179.542 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 66.74 5.79 33.04 Favored Glycine 0 CA--C 1.519 0.339 0 CA-C-N 115.855 -0.611 . . . . 10.0 114.476 177.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 62.6 t -58.74 -47.56 88.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 117.291 0.545 . . . . 10.0 111.05 -179.43 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -64.5 -44.37 91.17 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.824 -0.625 . . . . 10.0 111.2 -179.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -65.11 -26.97 68.43 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.026 0.441 . . . . 10.0 110.985 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -66.02 -40.14 90.81 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.435 -0.58 . . . . 10.0 109.435 178.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 156' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -71.07 -33.99 70.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.833 -0.621 . . . . 10.0 109.865 178.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 157' ' ' TYR . . . . . 0.647 ' HA ' HD13 ' B' ' 46' ' ' ILE . 4.2 m-30 -68.32 -44.92 74.29 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.75 -0.659 . . . . 10.0 109.945 179.313 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 50.5 m -61.92 -33.87 75.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.837 -0.62 . . . . 10.0 111.068 179.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 159' ' ' LEU . . . . . 0.401 ' HG ' HD22 ' B' ' 6' ' ' LEU . 14.3 tp -59.06 -43.93 91.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.105 0.479 . . . . 10.0 109.726 179.055 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 160' ' ' VAL . . . . . . . . . . . . . 39.6 t -74.53 -35.92 39.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.765 -0.652 . . . . 10.0 110.132 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 161' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -56.72 -40.16 75.19 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.562 -0.745 . . . . 10.0 110.377 179.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -67.54 -30.41 70.05 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.778 -0.646 . . . . 10.0 111.778 179.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 163' ' ' ILE . . . . . . . . . . . . . 65.2 mt -67.64 -43.76 86.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 110.077 -0.342 . . . . 10.0 110.077 179.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 22.7 mtt85 -64.64 -36.16 83.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 10.0 109.903 178.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 165' ' ' LYS . . . . . . . . . . . . . 29.1 ttmt -64.29 -44.91 90.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.751 -0.659 . . . . 10.0 109.858 179.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 166' ' ' HIS . . . . . 0.412 ' HB2' ' HG3' ' B' ' 110' ' ' PRO . 45.1 t-80 -56.7 -43.97 81.07 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.927 -0.578 . . . . 10.0 111.075 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 167' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -55.06 -50.0 70.23 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.6 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -64.19 -47.16 80.84 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.861 179.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 169' ' ' LYS . . . . . 0.425 ' HB3' ' HE2' ' B' ' 169' ' ' LYS . 34.9 mtpt -59.77 -32.28 70.45 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.929 0.714 . . . . 10.0 112.929 -178.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 170' ' ' MET . . . . . . . . . . . . . 82.0 mmm -94.63 -36.3 11.84 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 114.048 1.129 . . . . 10.0 114.048 -178.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 16.2 m -67.61 -31.27 71.18 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.063 0.459 . . . . 10.0 111.713 -179.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -89.04 -16.57 31.3 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.827 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 173' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 67.83 158.51 0.14 Allowed 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 121.449 0.642 . . . . 10.0 112.591 -179.541 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . -159.5 47.86 0.41 Allowed Glycine 0 N--CA 1.45 -0.427 0 N-CA-C 111.325 -0.71 . . . . 10.0 111.325 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 175' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -130.82 122.47 27.18 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 111.632 0.234 . . . . 10.0 111.632 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 176' ' ' LYS . . . . . 0.749 ' HB3' ' H35' ' A' ' 415' ' ' 17F . 37.6 mmtt 64.07 94.87 0.05 Allowed 'General case' 0 N--CA 1.466 0.373 0 O-C-N 123.57 0.544 . . . . 10.0 111.709 179.519 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 177' ' ' LYS . . . . . 0.451 ' HD3' ' HA ' ' B' ' 177' ' ' LYS . 41.1 mmtt -117.49 -84.63 0.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.935 -0.575 . . . . 10.0 111.455 -179.376 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 178' ' ' LYS . . . . . 0.588 ' O ' ' H8 ' ' A' ' 415' ' ' 17F . 27.1 mtmm -125.17 173.41 8.78 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.699 0.285 . . . . 10.0 110.496 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 179' ' ' LYS . . . . . 0.997 ' HB3' ' H9A' ' A' ' 415' ' ' 17F . 0.6 OUTLIER -137.9 146.8 43.76 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.665 -0.698 . . . . 10.0 109.626 179.535 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 180' ' ' LYS . . . . . 0.818 ' HD2' ' H1 ' ' A' ' 415' ' ' 17F . 91.1 mttt -104.97 -96.98 0.33 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.899 0.38 . . . . 10.0 110.897 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 181' ' ' SER . . . . . 0.447 ' O ' ' P1 ' ' A' ' 415' ' ' 17F . 1.1 m -138.24 129.26 27.08 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.784 -0.821 . . . . 10.0 108.784 179.231 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 182' ' ' LYS . . . . . 0.598 ' HG2' H131 ' A' ' 414' ' ' PCW . 0.0 OUTLIER -71.32 105.23 3.41 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.398 0.518 . . . . 10.0 112.398 -178.79 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 183' ' ' THR . . . . . . . . . . . . . 10.9 m -102.5 -62.95 1.2 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.779 -0.646 . . . . 10.0 109.989 179.023 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 184' ' ' LYS . . . . . . . . . . . . . 19.6 mttm . . . . . 0 C--N 1.33 -0.252 0 CA-C-O 120.872 0.368 . . . . 10.0 111.359 179.488 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 12.9 m . . . . . 0 C--O 1.233 0.203 0 CA-C-O 120.887 0.375 . . . . 10.0 111.031 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.22 134.98 46.98 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.191 -0.458 . . . . 10.0 110.057 179.654 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -100.63 138.64 37.41 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.899 -0.408 . . . . 10.0 109.899 179.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 4' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -129.09 118.14 22.0 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.197 -0.456 . . . . 10.0 109.83 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 5' ' ' LYS . . . . . 0.648 ' HB2' ' HG3' ' C' ' 76' ' ' GLU . 41.2 mttm -83.51 112.7 20.21 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 116.163 -0.471 . . . . 10.0 111.205 -179.693 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . 0.47 ' O ' ' HA ' ' C' ' 55' ' ' ILE . 14.2 mt -111.57 117.32 32.65 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.44 -0.8 . . . . 10.0 110.943 -178.729 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 49.7 t -106.23 120.27 56.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.365 -0.38 . . . . 10.0 110.112 179.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.554 HG12 ' HD2' ' C' ' 16' ' ' LYS . 3.1 t -88.42 116.45 30.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.356 -0.384 . . . . 10.0 110.078 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 19.9 m -118.96 162.34 17.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.006 0.432 . . . . 10.0 112.03 -179.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 152.1 -161.61 29.43 Favored Glycine 0 N--CA 1.447 -0.598 0 N-CA-C 110.598 -1.001 . . . . 10.0 110.598 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -90.77 -165.68 1.41 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.694 0.247 . . . . 10.0 110.352 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.57 144.97 25.58 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.989 0.423 . . . . 10.0 110.849 179.714 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 13' ' ' GLY . . . . . 0.791 ' HA2' H5'1 ' C' ' 201' ' ' GSP . . . 69.72 18.2 73.82 Favored Glycine 0 N--CA 1.451 -0.357 0 CA-C-N 115.898 -0.592 . . . . 10.0 113.598 178.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 14' ' ' VAL . . . . . 0.411 ' CG2' ' HG3' ' C' ' 16' ' ' LYS . 17.1 m -82.88 -22.63 8.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 120.991 0.424 . . . . 10.0 111.186 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 108.9 21.83 7.25 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.682 -0.771 . . . . 10.0 113.532 179.079 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . 0.554 ' HD2' HG12 ' C' ' 8' ' ' VAL . 2.0 mtmp? -61.48 -33.63 74.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.06 0.457 . . . . 10.0 110.917 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 1.9 m -79.78 -47.36 15.34 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.977 -0.556 . . . . 10.0 109.952 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.05 -47.53 80.73 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.002 -0.545 . . . . 10.0 111.523 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 37.4 mt -59.42 -51.33 70.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.391 -0.368 . . . . 10.0 111.314 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 20' ' ' THR . . . . . . . . . . . . . 4.4 m -65.05 -41.51 95.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.421 -0.354 . . . . 10.0 111.894 -179.21 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 79.0 mt -64.07 -30.71 50.79 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 CA-C-O 120.665 0.269 . . . . 10.0 110.564 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 22' ' ' GLN . . . . . 0.659 ' O ' ' HA ' ' C' ' 26' ' ' ASN . 6.3 mm-40 -67.02 -19.74 65.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.626 179.208 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.491 HD22 ' CD2' ' C' ' 156' ' ' PHE . 11.9 tp -97.39 -35.73 10.59 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.244 0.545 . . . . 10.0 111.092 179.131 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 48.0 mm -79.34 -63.03 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.687 -0.688 . . . . 10.0 111.537 -179.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 25' ' ' GLN . . . . . 0.49 ' HB3' ' HD2' ' C' ' 27' ' ' HIS . 74.5 mt-30 -90.8 -8.86 48.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.098 0.475 . . . . 10.0 111.575 -179.457 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 26' ' ' ASN . . . . . 0.659 ' HA ' ' O ' ' C' ' 22' ' ' GLN . 68.7 m-80 62.11 31.64 17.71 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 114.103 1.149 . . . . 10.0 114.103 178.236 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 27' ' ' HIS . . . . . 0.49 ' HD2' ' HB3' ' C' ' 25' ' ' GLN . 10.3 p80 -143.18 159.58 42.04 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 121.118 -0.233 . . . . 10.0 110.519 178.485 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -98.41 128.68 44.9 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 112.091 0.404 . . . . 10.0 112.091 -178.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 4.1 m -97.29 129.99 46.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.536 -0.756 . . . . 10.0 109.745 178.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -93.35 -22.94 18.65 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.808 0.337 . . . . 10.0 111.837 -179.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -83.34 138.96 33.31 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.094 0.473 . . . . 10.0 111.088 -179.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 32' ' ' TYR . . . . . 0.993 ' HD1' H5'2 ' C' ' 201' ' ' GSP . 88.9 t80 -86.45 115.75 24.16 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.678 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . 0.416 ' O ' ' S1G' ' C' ' 201' ' ' GSP . 10.7 t70 -118.94 105.79 44.63 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 116.486 -0.325 . . . . 10.0 110.294 179.381 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 34' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -51.56 112.23 0.77 Allowed 'Trans proline' 0 C--O 1.234 0.292 0 C-N-CA 123.162 2.575 . . . . 10.0 111.911 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 35' ' ' THR . . . . . 0.55 ' CG2' ' HB2' ' C' ' 38' ' ' ASP . 11.2 m -81.48 112.92 19.17 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.519 -0.764 . . . . 10.0 111.093 -179.411 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 36.1 mm -85.0 -42.92 16.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.828 -0.624 . . . . 10.0 109.602 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -175.23 86.4 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.265 -0.88 . . . . 10.0 109.014 179.467 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 38' ' ' ASP . . . . . 0.55 ' HB2' ' CG2' ' C' ' 35' ' ' THR . 0.2 OUTLIER -102.12 134.91 44.62 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.838 -0.619 . . . . 10.0 111.202 -178.633 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 1.5 m -117.3 136.14 53.32 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.364 -0.38 . . . . 10.0 110.809 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -131.37 134.93 46.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.633 -0.258 . . . . 10.0 111.035 -179.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -125.75 127.87 46.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.47 -0.332 . . . . 10.0 111.188 179.281 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 40.7 tttp -145.69 157.64 43.93 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.523 -0.547 . . . . 10.0 109.523 -179.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -124.96 123.03 39.02 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.856 -0.424 . . . . 10.0 109.856 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 3.7 m -133.46 171.63 17.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.841 0.353 . . . . 10.0 111.906 -179.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 33.1 t -108.67 85.64 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.054 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 53.4 mt -88.62 111.53 22.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.971 -179.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 47' ' ' ASP . . . . . 0.761 ' HA ' ' HB3' ' B' ' 128' ' ' LYS . 3.5 m-20 63.28 19.41 11.66 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 115.631 -0.713 . . . . 10.0 111.648 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.3 -16.21 55.52 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.827 -0.701 . . . . 10.0 111.817 -179.499 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -88.31 122.96 32.42 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.004 0.431 . . . . 10.0 111.214 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 50' ' ' THR . . . . . . . . . . . . . 3.0 m -77.65 113.58 15.64 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 107.783 -1.192 . . . . 10.0 107.783 178.108 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 51' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -126.61 152.23 46.94 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 113.342 0.867 . . . . 10.0 113.342 -177.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 52.9 tp -102.77 118.17 36.25 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 114.763 -1.108 . . . . 10.0 108.5 178.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 46.7 mt -87.17 116.04 24.98 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.039 -0.528 . . . . 10.0 112.104 -178.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . 0.556 ' HB3' ' HA ' ' C' ' 5' ' ' LYS . 32.0 t70 -100.75 80.43 2.17 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 107.81 -1.182 . . . . 10.0 107.81 178.627 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 55' ' ' ILE . . . . . 0.47 ' HA ' ' O ' ' C' ' 6' ' ' LEU . 22.3 mt -90.46 141.71 13.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.872 -0.604 . . . . 10.0 112.17 -177.43 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 16.1 tp -136.51 119.27 16.15 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 115.606 -0.725 . . . . 10.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 57' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -99.03 116.72 31.9 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.498 -0.927 . . . . 10.0 108.498 178.143 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 58' ' ' THR . . . . . 0.518 HG21 ' CE1' ' C' ' 71' ' ' TYR . 0.8 OUTLIER -105.58 171.34 7.38 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.363 -0.381 . . . . 10.0 111.778 -179.571 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.59 128.56 35.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.037 -0.528 . . . . 10.0 111.344 -179.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 60' ' ' GLY . . . . . . . . . . . . . . . -105.81 25.3 24.53 Favored Glycine 0 N--CA 1.449 -0.475 0 CA-C-N 115.706 -0.679 . . . . 10.0 112.117 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -93.86 19.25 9.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.661 0.267 . . . . 10.0 111.302 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 59.05 -157.19 0.33 Allowed 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 115.864 -0.607 . . . . 10.0 112.098 179.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 73.86 -50.85 0.69 Allowed 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 123.369 0.668 . . . . 10.0 112.785 179.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 64' ' ' TYR . . . . . 0.642 ' HB3' ' HB3' ' C' ' 67' ' ' MET . 51.0 m-85 -70.21 96.07 1.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.132 0.419 . . . . 10.0 112.132 -179.469 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.5 -55.82 3.5 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.768 -0.651 . . . . 10.0 110.898 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.21 -38.34 90.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.461 -179.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 67' ' ' MET . . . . . 0.642 ' HB3' ' HB3' ' C' ' 64' ' ' TYR . 28.4 ttm -62.72 -41.8 99.34 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.636 179.398 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 68' ' ' ARG . . . . . 0.599 ' HA ' ' CE1' ' C' ' 71' ' ' TYR . 5.6 ttp180 -65.18 -41.13 94.9 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.826 -0.624 . . . . 10.0 109.857 179.721 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -61.97 -34.67 76.56 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.027 -0.988 . . . . 10.0 111.534 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 70' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -65.18 -60.24 3.23 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 113.212 0.819 . . . . 10.0 113.212 -178.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 71' ' ' TYR . . . . . 0.599 ' CE1' ' HA ' ' C' ' 68' ' ' ARG . 31.1 p90 -68.34 -15.46 63.57 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 113.956 1.095 . . . . 10.0 113.956 -177.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 72' ' ' MET . . . . . 0.456 ' HE3' ' HG2' ' C' ' 68' ' ' ARG . 40.2 mtt -67.97 -22.26 65.04 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.169 0.509 . . . . 10.0 111.039 179.728 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 23.2 mtt180 -81.12 -30.68 34.5 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.013 0.435 . . . . 10.0 110.414 179.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 10.6 m -81.12 -48.81 11.64 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.62 -0.718 . . . . 10.0 111.448 -179.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.32 135.06 50.15 Favored Glycine 0 C--N 1.33 0.247 0 CA-C-N 115.827 -0.624 . . . . 10.0 113.109 -179.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . 0.648 ' HG3' ' HB2' ' C' ' 5' ' ' LYS . 4.6 mt-10 -101.47 -42.24 6.33 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.669 -0.493 . . . . 10.0 109.669 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 77' ' ' GLY . . . . . 0.528 ' HA3' HD11 ' C' ' 163' ' ' ILE . . . -112.28 128.62 8.61 Favored Glycine 0 N--CA 1.445 -0.753 0 N-CA-C 110.581 -1.007 . . . . 10.0 110.581 179.094 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 78' ' ' PHE . . . . . 0.762 ' HB2' ' HG2' ' C' ' 111' ' ' MET . 98.1 m-85 -111.87 117.7 33.49 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.345 0.593 . . . . 10.0 111.969 -178.632 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . 0.534 HD13 HD22 ' C' ' 159' ' ' LEU . 14.6 tp -91.74 104.76 17.18 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.591 -0.732 . . . . 10.0 109.434 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 80' ' ' CYS . . . . . 0.619 ' HB3' HD12 ' C' ' 93' ' ' ILE . 23.5 m -85.12 94.95 8.98 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.703 -0.48 . . . . 10.0 109.703 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 81' ' ' VAL . . . . . 0.438 HG22 ' HB ' ' C' ' 114' ' ' VAL . 58.7 t -102.39 131.38 50.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.021 -0.536 . . . . 10.0 111.285 -178.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 82' ' ' PHE . . . . . 0.462 ' HE2' ' HG ' ' C' ' 113' ' ' LEU . 47.7 p90 -134.7 175.28 9.69 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.767 -0.651 . . . . 10.0 109.855 179.255 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 83' ' ' ALA . . . . . . . . . . . . . . . -115.12 128.45 56.22 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.636 -0.505 . . . . 10.0 109.636 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 84' ' ' ILE . . . . . 0.505 HD11 ' HA ' ' C' ' 118' ' ' CYS . 37.1 pt -70.97 -8.5 11.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 112.995 0.739 . . . . 10.0 112.995 -178.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 85' ' ' ASN . . . . . . . . . . . . . 26.4 p-10 -96.29 2.7 53.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.653 0.263 . . . . 10.0 111.095 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 86' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -146.33 106.08 3.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.931 0.396 . . . . 10.0 110.916 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 1.3 m -59.58 -29.28 67.84 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.915 -0.584 . . . . 10.0 112.027 -178.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 88' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -56.99 -36.14 70.02 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.405 -0.361 . . . . 10.0 111.161 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 87.7 p -69.87 -33.57 72.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.866 0.365 . . . . 10.0 111.2 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 90' ' ' PHE . . . . . 0.405 ' CZ ' ' HA ' ' C' ' 130' ' ' ALA . 18.5 t80 -74.42 -37.68 63.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.601 179.646 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 91' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -67.18 -36.41 81.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.275 -0.421 . . . . 10.0 110.242 179.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.93 -30.51 70.25 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.691 -0.686 . . . . 10.0 111.197 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 93' ' ' ILE . . . . . 0.619 HD12 ' HB3' ' C' ' 80' ' ' CYS . 50.6 mm -59.5 -39.5 79.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.747 179.737 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 94' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -61.87 -32.75 73.14 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.507 -179.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 95' ' ' HIS . . . . . . . . . . . . . 33.5 m-70 -77.32 -44.92 27.84 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.685 -0.688 . . . . 10.0 110.122 179.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 96' ' ' TYR . . . . . 0.514 ' HE1' ' HD2' ' C' ' 68' ' ' ARG . 28.1 m-85 -58.04 -44.74 87.57 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.888 -0.596 . . . . 10.0 111.405 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -57.19 -47.4 81.35 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.819 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -68.56 -34.17 75.35 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.433 -0.349 . . . . 10.0 111.353 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 99' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -67.2 -46.55 73.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.554 -0.294 . . . . 10.0 110.416 179.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 83.3 mt -59.23 -46.5 92.18 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 CA-C-O 120.974 0.416 . . . . 10.0 110.71 179.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 101' ' ' LYS . . . . . . . . . . . . . 32.3 mtmt -60.66 -31.9 71.11 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.382 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 102' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 -73.96 -47.62 36.21 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.867 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 47.1 t -67.67 -40.7 84.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 112.165 0.432 . . . . 10.0 112.165 -178.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 104' ' ' LYS . . . . . . . . . . . . . 21.4 mtpp -82.99 -16.69 46.21 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 111.831 0.308 . . . . 10.0 111.831 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 105' ' ' ASP . . . . . . . . . . . . . 13.6 t0 57.42 53.45 7.5 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.422 0.629 . . . . 10.0 110.465 -179.232 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 106' ' ' SER . . . . . . . . . . . . . 29.4 m -154.02 153.86 32.69 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.978 -0.555 . . . . 10.0 110.527 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -96.8 -26.72 15.02 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.407 0.622 . . . . 10.0 109.675 179.153 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -99.73 96.79 7.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.609 -0.723 . . . . 10.0 110.387 -179.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 109' ' ' VAL . . . . . . . . . . . . . 24.1 t -123.28 128.96 25.09 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 116.156 -0.475 . . . . 10.0 109.97 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 110' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_exo -65.48 99.83 0.38 Allowed 'Trans proline' 0 C--O 1.233 0.26 0 C-N-CA 122.595 2.197 . . . . 10.0 111.557 179.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 111' ' ' MET . . . . . 0.762 ' HG2' ' HB2' ' C' ' 78' ' ' PHE . 60.8 mtm -133.66 151.03 51.57 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.52 -179.558 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 112' ' ' VAL . . . . . . . . . . . . . 85.1 t -133.76 134.22 56.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.655 -0.498 . . . . 10.0 109.655 179.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 113' ' ' LEU . . . . . 0.462 ' HG ' ' HE2' ' C' ' 82' ' ' PHE . 14.3 tp -90.11 114.89 26.9 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.971 -0.752 . . . . 10.0 108.971 179.748 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 114' ' ' VAL . . . . . 0.438 ' HB ' HG22 ' C' ' 81' ' ' VAL . 79.5 t -119.79 123.08 70.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 121.07 0.462 . . . . 10.0 111.595 -178.566 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -102.99 111.17 3.9 Favored Glycine 0 N--CA 1.448 -0.56 0 N-CA-C 110.697 -0.961 . . . . 10.0 110.697 179.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 116' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -88.46 168.13 12.87 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.494 0.147 . . . . 10.0 111.367 -178.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 117' ' ' LYS . . . . . 0.565 ' HG2' ' C6 ' ' C' ' 201' ' ' GSP . 85.2 mttt 61.3 37.92 16.78 Favored 'General case' 0 N--CA 1.462 0.144 0 O-C-N 123.658 0.599 . . . . 10.0 112.132 179.112 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 118' ' ' CYS . . . . . 0.505 ' HA ' HD11 ' C' ' 84' ' ' ILE . 65.6 m -73.51 -5.21 38.68 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.871 0.367 . . . . 10.0 111.799 179.602 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 119' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -91.03 -11.78 37.77 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.429 179.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 120' ' ' LEU . . . . . 0.493 HD12 ' HB3' ' C' ' 117' ' ' LYS . 17.3 mt -80.9 136.8 50.54 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.9 179.545 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 121' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -74.59 169.79 21.76 Favored 'Trans proline' 0 C--O 1.238 0.48 0 C-N-CA 122.877 2.385 . . . . 10.0 112.354 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 122' ' ' SER . . . . . . . . . . . . . 4.3 m 57.64 59.23 3.33 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.502 -0.772 . . . . 10.0 111.486 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 123' ' ' ARG . . . . . 0.451 HH11 ' HD3' ' C' ' 123' ' ' ARG . 0.3 OUTLIER -75.73 120.45 21.13 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.397 0.618 . . . . 10.0 111.138 179.669 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 124' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -73.84 -39.89 63.69 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.751 -0.659 . . . . 10.0 110.293 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 49.4 t -97.08 120.2 46.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.467 179.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 126' ' ' ASP . . . . . 0.41 ' O ' ' HG2' ' C' ' 129' ' ' GLN . 73.9 m-20 -81.9 159.03 23.75 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.022 179.433 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 127' ' ' THR . . . . . 0.567 HG23 ' HE2' ' C' ' 141' ' ' PHE . 3.6 m -67.44 -41.26 85.03 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.26 -0.427 . . . . 10.0 111.159 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 128' ' ' LYS . . . . . 0.941 ' HB2' ' HA ' ' B' ' 47' ' ' ASP . 17.8 pttp -55.53 -46.49 77.04 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.791 -0.641 . . . . 10.0 112.478 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 129' ' ' GLN . . . . . 0.41 ' HG2' ' O ' ' C' ' 126' ' ' ASP . 16.8 pt20 -69.29 -32.44 71.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.696 0.284 . . . . 10.0 111.067 -179.581 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 130' ' ' ALA . . . . . 0.405 ' HA ' ' CZ ' ' C' ' 90' ' ' PHE . . . -70.59 -42.64 70.77 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.103 -0.702 . . . . 10.0 109.103 179.174 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 131' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -71.35 -25.47 62.4 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.548 -0.751 . . . . 10.0 110.145 179.31 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 132' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -66.44 -45.83 78.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.471 0.653 . . . . 10.0 109.545 178.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 133' ' ' LEU . . . . . . . . . . . . . 39.4 tp -69.63 -37.36 76.79 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.703 -0.681 . . . . 10.0 109.942 179.082 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.32 -33.95 76.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.598 -0.728 . . . . 10.0 109.999 179.012 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 20.2 ttm105 -65.54 -33.46 75.97 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.0 -0.546 . . . . 10.0 110.156 179.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 136' ' ' SER . . . . . . . . . . . . . 47.1 m -76.91 -32.25 57.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.742 178.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 137' ' ' TYR . . . . . . . . . . . . . 11.2 m-30 -79.6 -30.75 41.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.011 -0.54 . . . . 10.0 111.933 -179.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 138' ' ' GLY . . . . . . . . . . . . . . . 85.54 23.7 45.96 Favored Glycine 0 N--CA 1.447 -0.6 0 N-CA-C 110.449 -1.061 . . . . 10.0 110.449 -179.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 139' ' ' ILE . . . . . . . . . . . . . 43.3 pt -117.63 154.54 50.84 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 115.367 -0.416 . . . . 10.0 110.462 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_endo -78.82 153.7 26.01 Favored 'Trans proline' 0 C--O 1.236 0.425 0 C-N-CA 122.455 2.103 . . . . 10.0 112.141 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 141' ' ' PHE . . . . . 0.567 ' HE2' HG23 ' C' ' 127' ' ' THR . 83.9 t80 -121.27 137.11 54.83 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.518 -0.765 . . . . 10.0 109.649 179.429 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 142' ' ' ILE . . . . . . . . . . . . . 40.8 mt -133.51 133.62 57.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.959 0.409 . . . . 10.0 111.111 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 143' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -90.72 118.15 29.92 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 108.099 -1.074 . . . . 10.0 108.099 178.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 144' ' ' THR . . . . . . . . . . . . . 40.8 p -126.02 173.62 9.04 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.761 0.791 . . . . 10.0 113.004 -178.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 145' ' ' SER . . . . . . . . . . . . . 8.6 t -157.16 115.32 3.2 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.256 -1.338 . . . . 10.0 108.107 179.006 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 146' ' ' ALA . . . . . 0.438 ' HB3' ' N7 ' ' C' ' 201' ' ' GSP . . . -70.99 -28.78 64.68 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.827 0.346 . . . . 10.0 110.621 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 147' ' ' LYS . . . . . 0.422 ' HD2' ' N2 ' ' C' ' 201' ' ' GSP . 52.7 mttt -63.66 -45.75 88.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.93 -0.577 . . . . 10.0 111.658 179.469 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 148' ' ' THR . . . . . . . . . . . . . 16.1 p -95.77 -7.82 36.1 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.76 0.314 . . . . 10.0 111.523 -179.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 149' ' ' ARG . . . . . 0.44 ' HG3' ' HB3' ' C' ' 22' ' ' GLN . 21.5 ttt-85 61.21 31.13 19.55 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.771 -0.65 . . . . 10.0 112.231 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 150' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -96.24 126.33 41.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.477 -0.328 . . . . 10.0 110.7 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 151' ' ' GLY . . . . . . . . . . . . . . . 85.59 -9.53 67.69 Favored Glycine 0 C--O 1.23 -0.153 0 CA-C-N 115.91 -0.586 . . . . 10.0 112.834 179.194 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 152' ' ' VAL . . . . . . . . . . . . . 59.8 t -60.22 -42.56 90.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 111.848 0.314 . . . . 10.0 111.848 -179.148 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 153' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -65.06 -51.82 59.26 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.941 0.401 . . . . 10.0 111.407 -179.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 154' ' ' ASP . . . . . 0.592 ' HA ' ' HB2' ' C' ' 157' ' ' TYR . 7.4 t70 -65.18 -28.4 69.37 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.962 0.727 . . . . 10.0 112.962 -178.538 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 155' ' ' ALA . . . . . . . . . . . . . . . -55.86 -45.37 78.48 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.973 0.416 . . . . 10.0 109.967 179.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 156' ' ' PHE . . . . . 0.491 ' CD2' HD22 ' C' ' 23' ' ' LEU . 77.1 m-85 -76.45 -39.9 52.08 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.157 179.118 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 157' ' ' TYR . . . . . 0.592 ' HB2' ' HA ' ' C' ' 154' ' ' ASP . 4.2 m-85 -56.66 -52.87 63.26 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.967 -0.561 . . . . 10.0 110.669 179.521 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 158' ' ' THR . . . . . 0.647 ' HA ' ' HE ' ' C' ' 161' ' ' ARG . 31.6 m -63.93 -35.74 81.65 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.828 -0.624 . . . . 10.0 111.76 -179.752 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 159' ' ' LEU . . . . . 0.534 HD22 HD13 ' C' ' 79' ' ' LEU . 53.0 tp -61.11 -42.01 97.74 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.435 -0.58 . . . . 10.0 109.435 178.372 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 160' ' ' VAL . . . . . . . . . . . . . 54.9 t -67.49 -36.77 77.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.432 -0.804 . . . . 10.0 109.963 178.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 161' ' ' ARG . . . . . 0.647 ' HE ' ' HA ' ' C' ' 158' ' ' THR . 0.1 OUTLIER -60.56 -41.86 95.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.301 179.134 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 162' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -60.77 -42.53 97.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.163 179.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 163' ' ' ILE . . . . . 0.528 HD11 ' HA3' ' C' ' 77' ' ' GLY . 60.0 mt -63.43 -49.79 81.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.474 179.318 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 22.0 ttm180 -60.63 -42.79 97.58 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.572 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 165' ' ' LYS . . . . . 0.755 ' HD3' ' HB2' ' B' ' 135' ' ' ARG . 43.2 mtmt -63.68 -41.73 98.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.455 -0.338 . . . . 10.0 110.464 179.113 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 166' ' ' HIS . . . . . . . . . . . . . 25.3 t-80 -61.07 -45.6 94.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.728 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 167' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -72.56 -28.87 63.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.802 0.334 . . . . 10.0 111.887 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 168' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -78.38 -42.63 29.78 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.349 0.595 . . . . 10.0 110.13 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 169' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -82.08 -5.92 58.77 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.872 -0.604 . . . . 10.0 110.906 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 170' ' ' MET . . . . . . . . . . . . . 1.2 tmm? -63.65 -40.28 96.47 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.125 0.488 . . . . 10.0 110.714 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 171' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -72.82 -5.36 37.57 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.867 -0.606 . . . . 10.0 110.524 179.405 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 172' ' ' LYS . . . . . 0.546 ' HA ' ' HB2' ' C' ' 176' ' ' LYS . 46.7 mtpt -102.42 -8.28 21.26 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.384 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 173' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -63.71 -40.47 96.86 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.172 0.51 . . . . 10.0 110.453 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 174' ' ' GLY . . . . . 0.527 ' O ' ' H61' ' A' ' 414' ' ' PCW . . . -87.78 -93.86 0.98 Allowed Glycine 0 N--CA 1.443 -0.865 0 CA-C-N 115.564 -0.744 . . . . 10.0 111.588 179.527 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 175' ' ' LYS . . . . . 0.581 ' HB2' ' H5 ' ' A' ' 415' ' ' 17F . 46.2 tttm -133.18 116.07 15.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 122.752 -0.264 . . . . 10.0 110.903 -179.599 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 176' ' ' LYS . . . . . 0.546 ' HB2' ' HA ' ' C' ' 172' ' ' LYS . 18.2 tptm -127.89 -78.5 0.57 Allowed 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.836 -0.345 . . . . 10.0 111.749 179.5 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 177' ' ' LYS . . . . . . . . . . . . . 7.6 mttm -126.06 168.43 13.99 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.838 0.351 . . . . 10.0 111.004 -179.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 178' ' ' LYS . . . . . . . . . . . . . 47.4 mttt -88.29 12.26 14.44 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.888 -0.597 . . . . 10.0 110.912 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 179' ' ' LYS . . . . . . . . . . . . . 52.9 tttp -96.06 129.48 43.33 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.929 0.395 . . . . 10.0 110.745 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 180' ' ' LYS . . . . . 0.469 ' HB2' ' HE2' ' C' ' 180' ' ' LYS . 1.9 mppt? -132.87 149.24 52.27 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.445 -0.946 . . . . 10.0 108.445 179.763 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 181' ' ' SER . . . . . . . . . . . . . 9.2 t -79.9 -35.17 38.32 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.219 0.533 . . . . 10.0 109.648 179.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 182' ' ' LYS . . . . . . . . . . . . . 46.7 mttt -78.21 106.24 9.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.589 -0.732 . . . . 10.0 110.084 179.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 183' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.41 144.57 35.82 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.682 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 184' ' ' LYS . . . . . 0.479 ' HG3' ' O4 ' ' B' ' 209' ' ' 17F . 10.2 pttp . . . . . 0 C--O 1.236 0.342 0 O-C-N 123.132 0.27 . . . . 10.0 110.514 179.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 401' ' ' PCW . . . . . 1.058 H252 ' C28' ' D' ' 615' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 402' ' ' PCW . . . . . 0.851 H162 H211 ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 403' ' ' PCW . . . . . 1.094 H141 H322 ' A' ' 404' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 404' ' ' PCW . . . . . 1.094 H322 H141 ' A' ' 403' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 405' ' ' PCW . . . . . 1.0 ' C36' H441 ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 406' ' ' PCW . . . . . 1.033 H222 ' H31' ' B' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 407' ' ' PCW . . . . . 1.147 H212 ' C17' ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 408' ' ' PCW . . . . . 1.042 H152 H211 ' A' ' 411' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 409' ' ' PCW . . . . . 1.193 ' C19' H142 ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 410' ' ' PCW . . . . . 1.069 H372 H321 ' A' ' 407' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 411' ' ' PCW . . . . . 1.042 H211 H152 ' A' ' 408' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 412' ' ' PCW . . . . . 1.061 H371 ' H39' ' A' ' 410' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 413' ' ' PCW . . . . . 1.145 H341 H132 ' A' ' 413' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 414' ' ' PCW . . . . . 1.077 H141 ' H33' ' A' ' 415' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 415' ' ' 17F . . . . . 1.077 ' H33' H141 ' A' ' 414' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 416' ' ' 17F . . . . . 0.889 ' H54' H281 ' D' ' 605' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 417' ' ' PCW . . . . . 1.073 H452 ' C42' ' A' ' 421' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 418' ' ' PCW . . . . . 1.065 ' C42' H231 ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 419' ' ' PCW . . . . . 1.044 ' C40' H441 ' D' ' 625' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 420' ' ' PCW . . . . . 1.059 H362 H412 ' D' ' 618' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 421' ' ' PCW . . . . . 1.073 ' C42' H452 ' A' ' 417' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 422' ' ' 17F . . . . . 1.032 ' H6 ' ' C14' ' D' ' 622' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 601' ' ' PCW . . . . . 0.984 H421 H461 ' D' ' 601' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 602' ' ' PCW . . . . . 0.972 H172 H212 ' D' ' 602' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 603' ' ' PCW . . . . . 1.024 ' C4 ' ' H2 ' ' D' ' 603' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 604' ' ' PCW . . . . . 1.005 H461 H282 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 605' ' ' PCW . . . . . 1.047 ' O1P' ' H52' ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 606' ' ' PCW . . . . . 0.979 H182 H142 ' D' ' 606' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 607' ' ' PCW . . . . . 1.095 ' H12' H372 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 608' ' ' PCW . . . . . 1.004 H431 ' H34' ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 609' ' ' PCW . . . . . 1.019 ' H2 ' ' H61' ' D' ' 616' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 610' ' ' PCW . . . . . 0.981 ' H12' ' H6 ' ' D' ' 631' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 611' ' ' PCW . . . . . 1.076 H462 H261 ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 612' ' ' PCW . . . . . 1.051 H222 H461 ' D' ' 620' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 613' ' ' PCW . . . . . 1.102 H212 H172 ' D' ' 613' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 614' ' ' PCW . . . . . 1.138 H272 ' H50' ' B' ' 209' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 615' ' ' PCW . . . . . 1.058 ' C28' H252 ' A' ' 401' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 616' ' ' PCW . . . . . 1.019 ' H61' ' H2 ' ' D' ' 609' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 617' ' ' PCW . . . . . 1.061 H441 H232 ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 618' ' ' PCW . . . . . 1.059 H412 H362 ' A' ' 420' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 619' ' ' PCW . . . . . 1.072 H131 H151 ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 620' ' ' PCW . . . . . 1.051 H461 H222 ' D' ' 612' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 621' ' ' PCW . . . . . 1.065 H272 ' H35' ' D' ' 632' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 622' ' ' PCW . . . . . 1.032 ' C14' ' H6 ' ' A' ' 422' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 623' ' ' PCW . . . . . 1.088 H322 ' C36' ' D' ' 623' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 624' ' ' PCW . . . . . 0.998 H241 ' H20' ' D' ' 624' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 625' ' ' PCW . . . . . 1.079 ' C41' H412 ' D' ' 626' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 626' ' ' PCW . . . . . 1.095 H372 ' H12' ' D' ' 607' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 627' ' ' PCW . . . . . 1.072 H151 H131 ' D' ' 619' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 628' ' ' 17F . . . . . 1.074 ' H57' H19A ' D' ' 628' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 629' ' ' 17F . . . . . 0.955 ' H62' H261 ' D' ' 608' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 630' ' ' 17F . . . . . 1.023 H10A H362 ' A' ' 421' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 631' ' ' 17F . . . . . 0.99 ' H41' H382 ' D' ' 619' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 632' ' ' 17F . . . . . 1.065 ' H35' H272 ' D' ' 621' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 201' ' ' GSP . . . . . 0.747 H5'2 ' CD1' ' B' ' 32' ' ' TYR . . . . . . . . 0 O4'--C1' 1.437 1.942 2 C1'-O4'-C4' 101.324 -9.196 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 202' ' ' ' MG' . . . . . 0.621 'MG ' ' O3G' ' B' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 203' ' ' PCW . . . . . 1.0 H332 ' H35' ' B' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 204' ' ' PCW . . . . . 0.973 H231 H381 ' A' ' 401' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 205' ' ' PCW . . . . . 1.071 H332 ' H73' ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 206' ' ' PCW . . . . . 1.017 H332 H321 ' A' ' 409' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 207' ' ' PCW . . . . . 1.08 H132 H332 ' B' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 208' ' ' PCW . . . . . 1.076 H261 H462 ' D' ' 611' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 209' ' ' 17F . . . . . 1.138 ' H50' H272 ' D' ' 614' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 210' ' ' 17F . . . . . 1.055 ' C12' ' H41' ' B' ' 210' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 211' ' ' 17F . . . . . 1.124 ' H50' H212 ' C' ' 216' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 201' ' ' GSP . . . . . 0.993 H5'2 ' HD1' ' C' ' 32' ' ' TYR . . . . . . . . 0 O4'--C1' 1.438 1.966 2 O4'-C1'-N19 113.416 5.216 . 0.0 '__' . 10.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 202' ' ' ' MG' . . . . . 0.629 'MG ' ' O3G' ' C' ' 201' ' ' GSP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 203' ' ' PCW . . . . . 1.066 H151 H362 ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 204' ' ' PCW . . . . . 1.053 H212 H452 ' C' ' 203' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 205' ' ' PCW . . . . . 0.965 ' H32' H152 ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 206' ' ' PCW . . . . . 1.068 H171 H362 ' C' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 207' ' ' PCW . . . . . 1.063 H441 ' H33' ' C' ' 213' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 208' ' ' PCW . . . . . 1.068 H362 H171 ' C' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 209' ' ' PCW . . . . . 1.062 ' O4P' ' H32' ' C' ' 209' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 210' ' ' PCW . . . . . 1.076 ' O31' H352 ' C' ' 210' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 211' ' ' PCW . . . . . 1.037 ' H63' H321 ' B' ' 208' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 212' ' ' PCW . . . . . 1.048 H421 ' H12' ' C' ' 215' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 213' ' ' 17F . . . . . 1.063 ' H33' H441 ' C' ' 207' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 214' ' ' 17F . . . . . 0.906 ' H34' H283 ' B' ' 206' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 215' ' ' 17F . . . . . 1.048 ' H12' H421 ' C' ' 212' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 216' ' ' PCW . . . . . 1.124 H212 ' H50' ' B' ' 211' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 217' ' ' PCW . . . . . 1.067 ' C35' ' H20' ' D' ' 627' ' ' PCW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 218' ' ' 17F . . . . . 1.162 H18A ' O7 ' ' C' ' 218' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 219' ' ' 17F . . . . . 0.959 ' H59' H12A ' C' ' 219' ' ' 17F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_